GROMACS 58 1ALA N 1 2.374 2.436 2.592 1ALA H1 2 2.456 2.469 2.535 1ALA H2 3 2.292 2.473 2.541 1ALA H3 4 2.375 2.332 2.583 1ALA CA 5 2.389 2.483 2.732 1ALA HA 6 2.431 2.583 2.729 1ALA CB 7 2.249 2.486 2.798 1ALA HB1 8 2.204 2.384 2.802 1ALA HB2 9 2.180 2.553 2.742 1ALA HB3 10 2.256 2.525 2.902 1ALA C 11 2.485 2.395 2.810 1ALA O 12 2.505 2.280 2.774 2PRO N 13 2.545 2.453 2.915 2PRO CD 14 2.525 2.378 3.041 2PRO HD1 15 2.439 2.307 3.038 2PRO HD2 16 2.505 2.453 3.121 2PRO CA 17 2.690 2.474 2.909 2PRO HA 18 2.714 2.547 2.985 2PRO CB 19 2.751 2.341 2.955 2PRO HB1 20 2.856 2.352 2.989 2PRO HB2 21 2.744 2.263 2.876 2PRO CG 22 2.657 2.304 3.071 2PRO HG1 23 2.642 2.194 3.077 2PRO HG2 24 2.699 2.340 3.168 2PRO C 25 2.747 2.535 2.782 2PRO O 26 2.759 2.657 2.775 3GLY N 27 2.778 2.453 2.679 3GLY HN 28 2.770 2.355 2.693 3GLY CA 29 2.809 2.499 2.544 3GLY HA1 30 2.856 2.417 2.492 3GLY HA2 31 2.872 2.587 2.551 3GLY C 32 2.685 2.539 2.467 3GLY O 33 2.589 2.591 2.523 4ARG N 34 2.681 2.511 2.336 4ARG HN 35 2.758 2.465 2.292 4ARG CA 36 2.566 2.535 2.250 4ARG HA 37 2.553 2.643 2.245 4ARG CB 38 2.597 2.481 2.108 4ARG HB1 39 2.623 2.372 2.119 4ARG HB2 40 2.689 2.532 2.071 4ARG CG 41 2.487 2.491 1.999 4ARG HG1 42 2.402 2.424 2.027 4ARG HG2 43 2.531 2.448 1.906 4ARG CD 44 2.435 2.631 1.965 4ARG HD1 45 2.380 2.628 1.868 4ARG HD2 46 2.518 2.704 1.958 4ARG NE 47 2.343 2.670 2.076 4ARG HE 48 2.361 2.627 2.166 4ARG CZ 49 2.215 2.702 2.065 4ARG NH1 50 2.141 2.679 2.171 4ARG HH11 51 2.189 2.630 2.245 4ARG HH12 52 2.043 2.688 2.167 4ARG NH2 53 2.163 2.754 1.957 4ARG HH21 54 2.068 2.784 1.959 4ARG HH22 55 2.226 2.781 1.885 4ARG C 56 2.434 2.474 2.305 4ARG OT1 57 2.431 2.353 2.336 4ARG OT2 58 2.336 2.551 2.326 5.00000 5.00000 5.00000