#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnx s LYS 3 N 0.00 4.15 0.17 -0.52 1.02 -1.26 -4.85 119.74 118.44 1pnx s LYS 3 Ca 0.00 2.55 -0.34 0.00 0.02 0.00 0.00 55.97 58.20 1pnx s LYS 3 Cb 0.00 -4.12 -0.14 0.00 -0.52 0.00 0.00 37.83 33.05 1pnx s LYS 3 CO 0.00 -0.94 1.50 1.17 -0.92 0.00 0.00 175.35 176.17 1pnx n LYS 4 N 7.42 1.99 -4.97 1.68 3.00 -1.26 -4.60 118.16 121.42 1pnx n LYS 4 Ca 0.19 0.72 -0.32 0.00 -0.00 0.00 0.00 58.31 58.90 1pnx n LYS 4 Cb 0.41 -2.44 -0.15 0.00 0.00 0.00 0.00 35.03 32.86 1pnx n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1pnx s VAL 5 N 0.62 2.73 0.15 3.15 1.01 -1.26 -0.16 120.40 126.65 1pnx s VAL 5 Ca 0.77 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1pnx s VAL 5 Cb -0.71 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1pnx s VAL 5 CO 0.42 0.56 -0.10 -0.76 0.00 0.00 0.00 175.10 175.22 1pnx s LEU 6 N -0.18 2.53 -0.05 3.92 1.43 0.10 -4.93 118.68 121.50 1pnx s LEU 6 Ca -0.01 -1.02 0.04 0.00 -1.03 0.00 0.00 54.13 52.11 1pnx s LEU 6 Cb -0.13 -0.37 0.00 0.00 0.03 0.00 0.00 46.19 45.72 1pnx s LEU 6 CO 0.03 -0.32 -0.16 -0.89 0.23 0.00 0.00 176.35 175.24 1pnx s THR 7 N -3.31 1.37 0.00 5.49 2.01 -1.26 0.19 115.64 120.14 1pnx s THR 7 Ca 0.17 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1pnx s THR 7 Cb 0.02 -1.20 0.00 0.00 0.01 0.00 0.00 72.50 71.34 1pnx s THR 7 CO 0.01 0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 1pnx n GLY 8 N 3.32 2.20 3.45 4.40 0.00 -0.66 -4.17 105.19 113.72 1pnx n GLY 8 Ca -0.19 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 1pnx n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pnx s VAL 9 N -2.99 2.62 -0.56 1.61 1.01 -1.16 -1.11 120.40 119.82 1pnx s VAL 9 Ca 0.00 -1.61 -0.26 0.00 0.00 0.00 0.00 61.98 60.12 1pnx s VAL 9 Cb 0.00 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.23 1pnx s VAL 9 CO 0.00 0.10 1.04 -0.69 0.00 0.00 0.00 175.10 175.54 1pnx s VAL 10 N -1.11 4.25 -2.03 2.92 1.01 -0.36 0.79 120.40 125.87 1pnx s VAL 10 Ca 0.16 0.55 0.24 0.00 0.00 0.00 0.00 61.98 62.94 1pnx s VAL 10 Cb -0.10 -4.61 0.12 0.00 0.00 0.00 0.00 36.38 31.79 1pnx s VAL 10 CO 0.09 -1.18 1.29 1.33 0.00 0.00 0.00 175.10 176.62 1pnx n VAL 11 N 6.39 0.00 -3.68 2.92 0.24 0.67 -2.11 118.33 122.77 1pnx n VAL 11 Ca 0.05 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 62.02 1pnx n VAL 11 Cb 0.48 0.96 -0.10 0.00 -1.47 0.00 0.00 33.84 33.71 1pnx n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1pnx s SER 12 N -2.43 -0.65 -0.13 -1.34 0.15 -1.21 -4.97 113.70 103.12 1pnx s SER 12 Ca 0.22 1.09 0.16 0.00 0.70 0.00 0.00 55.95 58.12 1pnx s SER 12 Cb 0.19 1.00 0.29 0.00 -1.71 0.00 0.00 66.02 65.79 1pnx s SER 12 CO 0.53 -0.21 1.15 -0.67 1.20 0.00 0.00 173.24 175.24 1pnx n ASP 13 N 4.33 1.94 0.00 5.45 4.64 -1.26 -1.52 116.55 130.13 1pnx n ASP 13 Ca -0.22 -3.12 0.12 0.00 -1.38 0.00 0.00 54.79 50.20 1pnx n ASP 13 Cb 0.56 -0.42 0.66 0.00 -1.04 0.00 0.00 41.12 40.88 1pnx n ASP 13 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1pnx n LYS 14 N -1.17 0.49 -4.13 -0.67 5.02 -1.26 -4.85 118.16 111.58 1pnx n LYS 14 Ca 0.15 0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.24 1pnx n LYS 14 Cb 0.67 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.11 1pnx n LYS 14 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1pnx s MET 15 N -2.39 2.26 -0.09 1.97 -1.94 -1.26 -5.11 119.30 112.75 1pnx s MET 15 Ca 0.28 -1.72 -0.25 0.00 -1.71 0.00 0.00 55.69 52.29 1pnx s MET 15 Cb 0.17 -2.05 -0.03 0.00 2.01 0.00 0.00 34.83 34.93 1pnx s MET 15 CO 0.35 -0.00 0.80 -0.65 -0.01 0.00 0.00 175.02 175.51 1pnx s GLN 16 N -3.86 4.42 -0.95 2.03 -0.21 -1.26 -3.98 119.66 115.84 1pnx s GLN 16 Ca 0.39 1.04 0.00 0.00 0.02 0.00 0.00 55.36 56.81 1pnx s GLN 16 Cb 0.01 -3.49 0.00 0.00 1.00 0.00 0.00 33.01 30.53 1pnx s GLN 16 CO 0.22 -0.09 0.00 1.63 -2.12 0.00 0.00 175.29 174.93 1pnx n LYS 17 N 4.29 -1.49 -4.07 2.91 5.02 -1.26 -4.92 118.16 118.64 1pnx n LYS 17 Ca 0.02 0.62 -0.13 0.00 -2.02 0.00 0.00 58.31 56.80 1pnx n LYS 17 Cb 0.50 -4.70 -0.12 0.00 -0.02 0.00 0.00 35.03 30.70 1pnx n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1pnx s THR 18 N -1.64 0.50 0.05 -0.18 2.01 -1.26 0.13 115.64 115.25 1pnx s THR 18 Ca 0.00 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1pnx s THR 18 Cb 0.00 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1pnx s THR 18 CO 0.00 -0.32 -0.05 0.68 -0.69 0.00 0.00 174.62 174.24 1pnx s VAL 19 N -1.20 0.36 -0.40 3.82 -7.23 0.21 -4.17 120.40 111.79 1pnx s VAL 19 Ca -0.09 -1.43 -0.13 0.00 -1.81 0.00 0.00 61.98 58.53 1pnx s VAL 19 Cb -0.09 -1.01 0.03 0.00 0.56 0.00 0.00 36.38 35.87 1pnx s VAL 19 CO 0.00 -0.70 0.26 -0.89 -0.31 0.00 0.00 175.10 173.47 1pnx s THR 20 N -2.61 4.89 -0.18 5.32 2.01 -0.57 -0.14 115.64 124.35 1pnx s THR 20 Ca -0.02 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.05 1pnx s THR 20 Cb -0.02 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1pnx s THR 20 CO -0.04 -0.30 0.21 -0.69 -0.69 0.00 0.00 174.62 173.10 1pnx s VAL 21 N 1.61 5.36 -0.78 3.82 1.01 0.82 -0.24 120.40 132.01 1pnx s VAL 21 Ca 0.03 0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.25 1pnx s VAL 21 Cb -0.20 -3.55 0.20 0.00 0.00 0.00 0.00 36.38 32.84 1pnx s VAL 21 CO 0.08 0.42 0.70 -0.22 0.00 0.00 0.00 175.10 176.07 1pnx s LEU 22 N 0.41 6.47 -0.20 3.92 2.96 0.24 0.08 118.68 132.56 1pnx s LEU 22 Ca 0.12 -2.67 -0.29 0.00 -0.22 0.00 0.00 54.13 51.07 1pnx s LEU 22 Cb -0.12 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.42 1pnx s LEU 22 CO 0.01 -0.55 1.10 -0.69 -1.32 0.00 0.00 176.35 174.89 1pnx s VAL 23 N 0.20 4.58 0.32 1.68 1.01 -0.36 -3.01 120.40 124.82 1pnx s VAL 23 Ca 0.17 1.90 -0.06 0.00 0.00 0.00 0.00 61.98 63.99 1pnx s VAL 23 Cb -0.13 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 1pnx s VAL 23 CO -0.07 -0.14 0.60 -0.70 0.00 0.00 0.00 175.10 174.78 1pnx s GLU 24 N 3.12 3.65 0.00 2.72 2.12 -1.26 -1.89 118.70 127.17 1pnx s GLU 24 Ca 0.47 0.08 -0.11 0.00 0.36 0.00 0.00 54.97 55.78 1pnx s GLU 24 Cb -0.17 -2.60 0.01 0.00 0.26 0.00 0.00 34.13 31.63 1pnx s GLU 24 CO 0.10 0.16 0.22 0.50 -0.54 0.00 0.00 175.26 175.70 1pnx s ARG 25 N -3.65 0.60 0.18 4.30 3.52 -0.71 -4.98 118.95 118.21 1pnx s ARG 25 Ca 0.45 -0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.72 1pnx s ARG 25 Cb -0.11 0.26 -0.05 0.00 -1.56 0.00 0.00 34.95 33.49 1pnx s ARG 25 CO 0.31 -0.16 -0.02 -0.65 -0.81 0.00 0.00 175.30 173.97 1pnx s GLN 26 N -1.58 1.15 0.00 5.12 -0.21 -1.26 -2.14 119.66 120.73 1pnx s GLN 26 Ca -0.13 -1.55 0.00 0.00 0.02 0.00 0.00 55.36 53.71 1pnx s GLN 26 Cb -0.05 -0.41 0.00 0.00 1.00 0.00 0.00 33.01 33.55 1pnx s GLN 26 CO 0.02 -0.08 0.00 1.97 -2.12 0.00 0.00 175.29 175.07 1pnx n PHE 27 N -0.27 0.00 -2.96 0.91 1.16 -0.97 -5.01 117.46 110.32 1pnx n PHE 27 Ca -0.07 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.11 1pnx n PHE 27 Cb 0.63 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.46 1pnx n PHE 27 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 1pnx s PRO 28 N -2.00 4.47 0.13 3.97 0.04 -1.26 -0.72 135.00 139.62 1pnx s PRO 28 Ca 0.00 1.01 -0.34 0.00 0.04 0.00 0.00 61.00 61.72 1pnx s PRO 28 Cb 0.00 -3.45 -0.13 0.00 0.04 0.00 0.00 34.50 30.96 1pnx s PRO 28 CO 0.00 0.03 1.65 1.58 0.04 0.00 0.00 177.00 180.30 1pnx n HIS 29 N 3.82 2.34 -0.04 0.56 -0.00 -0.35 -4.85 115.22 116.71 1pnx n HIS 29 Ca 0.01 0.19 0.24 0.00 0.46 0.00 0.00 57.72 58.61 1pnx n HIS 29 Cb 0.51 -2.58 0.72 0.00 -0.12 0.00 0.00 29.99 28.52 1pnx n HIS 29 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1pnx h PRO 30 N 6.59 0.00 0.00 1.57 0.13 -1.93 -1.00 132.00 137.36 1pnx h PRO 30 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 1pnx h PRO 30 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1pnx h PRO 30 CO 0.91 0.00 -1.33 -0.11 -0.23 0.00 0.00 178.00 177.23 1pnx n LEU 31 N -4.05 2.24 -0.94 1.56 7.94 -1.26 -4.72 117.00 117.78 1pnx n LEU 31 Ca 0.12 -0.02 0.12 0.00 -1.11 0.00 0.00 56.01 55.12 1pnx n LEU 31 Cb 0.76 -0.13 0.25 0.00 0.53 0.00 0.00 43.42 44.84 1pnx n LEU 31 CO 0.34 0.48 0.72 -1.22 -1.11 0.00 0.00 177.39 176.59 1pnx n TYR 32 N -2.55 0.29 0.00 1.96 0.53 -1.24 -4.98 117.16 111.18 1pnx n TYR 32 Ca -0.10 -0.15 0.00 0.00 -1.02 0.00 0.00 57.90 56.64 1pnx n TYR 32 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.93 1pnx n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1pnx n GLY 33 N 1.37 0.00 3.61 2.72 0.00 -0.38 -4.87 105.19 107.64 1pnx n GLY 33 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1pnx n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pnx n LYS 34 N -0.18 0.80 -2.57 1.61 2.85 -1.26 -3.71 118.16 115.71 1pnx n LYS 34 Ca 0.00 0.32 -0.43 0.00 -1.05 0.00 0.00 58.31 57.15 1pnx n LYS 34 Cb 0.00 -2.17 -0.02 0.00 -0.65 0.00 0.00 35.03 32.19 1pnx n LYS 34 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1pnx s VAL 35 N -1.57 4.24 0.41 0.58 1.01 -1.26 -1.22 120.40 122.59 1pnx s VAL 35 Ca 0.76 1.32 0.08 0.00 0.00 0.00 0.00 61.98 64.14 1pnx s VAL 35 Cb -0.40 -4.48 0.01 0.00 0.00 0.00 0.00 36.38 31.51 1pnx s VAL 35 CO 0.47 -0.81 0.56 0.27 0.00 0.00 0.00 175.10 175.59 1pnx s ILE 36 N 4.36 3.17 -0.19 2.22 -4.36 0.10 -4.89 121.20 121.61 1pnx s ILE 36 Ca 0.50 -0.99 -0.04 0.00 -0.26 0.00 0.00 60.65 59.85 1pnx s ILE 36 Cb -0.10 -3.07 0.08 0.00 1.25 0.00 0.00 42.46 40.62 1pnx s ILE 36 CO 0.27 -0.03 0.14 -0.75 0.24 0.00 0.00 174.94 174.81 1pnx s LYS 37 N -4.33 0.12 0.55 0.37 2.20 -1.26 -2.29 119.74 115.09 1pnx s LYS 37 Ca 0.53 -0.04 0.08 0.00 -0.36 0.00 0.00 55.97 56.19 1pnx s LYS 37 Cb -0.10 -1.54 0.08 0.00 -1.51 0.00 0.00 37.83 34.76 1pnx s LYS 37 CO 0.33 -0.71 0.70 -2.13 -0.36 0.00 0.00 175.35 173.18 1pnx n ARG 38 N 5.29 0.64 -3.52 4.03 3.00 -0.91 -4.94 116.66 120.25 1pnx n ARG 38 Ca -0.06 -3.04 -0.17 0.00 -0.00 0.00 0.00 57.85 54.58 1pnx n ARG 38 Cb 0.48 -0.12 -0.05 0.00 0.00 0.00 0.00 32.46 32.77 1pnx n ARG 38 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1pnx s SER 39 N -4.37 -0.62 0.03 6.15 1.04 -1.26 -1.74 113.70 112.93 1pnx s SER 39 Ca 0.53 0.61 0.01 0.00 0.48 0.00 0.00 55.95 57.59 1pnx s SER 39 Cb -0.04 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 1pnx s SER 39 CO 0.34 -0.61 -0.06 -0.75 0.98 0.00 0.00 173.24 173.13 1pnx s LYS 40 N -1.43 0.43 -0.18 4.02 2.20 -0.79 -5.02 119.74 118.98 1pnx s LYS 40 Ca -0.09 -0.60 -0.08 0.00 -0.36 0.00 0.00 55.97 54.85 1pnx s LYS 40 Cb -0.00 -0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.07 1pnx s LYS 40 CO 0.07 0.03 0.09 0.15 -0.36 0.00 0.00 175.35 175.33 1pnx s LYS 41 N -1.25 3.95 -0.03 4.03 1.02 -1.26 -1.22 119.74 124.98 1pnx s LYS 41 Ca -0.09 -0.29 0.05 0.00 0.02 0.00 0.00 55.97 55.66 1pnx s LYS 41 Cb -0.08 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.95 1pnx s LYS 41 CO -0.00 0.35 -0.18 0.71 -0.92 0.00 0.00 175.35 175.30 1pnx s TYR 42 N 0.18 2.57 -0.32 3.18 1.51 0.11 -4.95 117.35 119.65 1pnx s TYR 42 Ca 0.06 -0.25 -0.17 0.00 -1.01 0.00 0.00 57.07 55.70 1pnx s TYR 42 Cb -0.12 -1.57 -0.02 0.00 -0.11 0.00 0.00 41.96 40.14 1pnx s TYR 42 CO -0.00 0.13 0.45 -0.51 -1.11 0.00 0.00 175.55 174.50 1pnx s LEU 43 N -0.77 4.25 0.06 -1.29 1.43 -1.26 -0.13 118.68 120.96 1pnx s LEU 43 Ca 0.11 0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.34 1pnx s LEU 43 Cb -0.10 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 1pnx s LEU 43 CO 0.01 -0.35 -0.03 0.00 0.23 0.00 0.00 176.35 176.21 1pnx s ALA 44 N 2.22 3.19 -0.13 4.21 0.00 0.80 -4.18 121.76 127.87 1pnx s ALA 44 Ca 0.17 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 50.75 1pnx s ALA 44 Cb -0.16 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 1pnx s ALA 44 CO 0.12 0.66 1.12 -1.58 0.00 0.00 0.00 175.76 176.08 1pnx s HIS 45 N -1.19 3.25 -0.60 0.00 2.46 0.14 -0.62 115.29 118.73 1pnx s HIS 45 Ca 0.22 1.34 0.05 0.00 0.47 0.00 0.00 55.06 57.14 1pnx s HIS 45 Cb -0.11 -3.34 0.17 0.00 -0.13 0.00 0.00 32.58 29.17 1pnx s HIS 45 CO 0.14 -0.89 0.45 -3.47 -2.47 0.00 0.00 174.74 168.50 1pnx n ASP 46 N 5.64 1.84 0.18 9.88 4.64 0.35 -2.94 116.55 136.14 1pnx n ASP 46 Ca 0.11 -2.93 -0.15 0.00 -1.38 0.00 0.00 54.79 50.43 1pnx n ASP 46 Cb 0.47 -0.69 -0.08 0.00 -1.04 0.00 0.00 41.12 39.78 1pnx n ASP 46 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1pnx h PRO 47 N 5.41 -0.69 0.00 -0.67 0.11 -1.95 -1.92 132.00 132.29 1pnx h PRO 47 Ca 0.19 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1pnx h PRO 47 Cb 0.80 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1pnx h PRO 47 CO 0.60 -0.46 0.00 0.39 -0.21 0.00 0.00 178.00 178.32 1pnx n GLU 48 N -5.47 0.16 -1.79 1.05 1.02 -1.26 -4.78 120.64 109.57 1pnx n GLU 48 Ca -0.09 0.17 -0.20 0.00 -0.02 0.00 0.00 57.16 57.03 1pnx n GLU 48 Cb 0.38 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 1pnx n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1pnx n GLU 49 N -1.25 -1.52 0.03 3.49 -0.58 -0.72 -4.89 120.64 115.20 1pnx n GLU 49 Ca 0.05 1.10 -0.01 0.00 -0.42 0.00 0.00 57.16 57.87 1pnx n GLU 49 Cb 0.07 -5.54 -0.01 0.00 -0.57 0.00 0.00 31.44 25.40 1pnx n GLU 49 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1pnx h LYS 50 N 0.00 -0.08 -6.59 3.49 3.64 -1.86 -3.45 116.57 111.73 1pnx h LYS 50 Ca -0.42 0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.41 1pnx h LYS 50 Cb 1.29 0.02 0.06 0.00 -0.41 0.00 0.00 32.23 33.19 1pnx h LYS 50 CO 0.58 -0.05 0.83 0.66 -2.27 0.00 0.00 179.45 179.20 1pnx n TYR 51 N -2.32 2.44 -4.27 1.91 4.02 -1.26 -5.01 117.16 112.67 1pnx n TYR 51 Ca -0.01 0.23 -0.23 0.00 -0.01 0.00 0.00 57.90 57.88 1pnx n TYR 51 Cb 0.03 -2.57 -0.07 0.00 -0.02 0.00 0.00 39.34 36.71 1pnx n TYR 51 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1pnx s LYS 52 N 0.63 2.28 -0.26 -0.72 1.02 -1.26 -5.01 119.74 116.43 1pnx s LYS 52 Ca 0.75 -1.47 -0.33 0.00 0.02 0.00 0.00 55.97 54.94 1pnx s LYS 52 Cb -0.61 -2.14 -0.10 0.00 -0.52 0.00 0.00 37.83 34.46 1pnx s LYS 52 CO 0.39 0.31 2.12 -0.11 -0.92 0.00 0.00 175.35 177.14 1pnx n LEU 53 N -0.94 2.71 0.00 3.17 7.94 -1.26 -1.66 117.00 126.96 1pnx n LEU 53 Ca -0.06 0.49 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 1pnx n LEU 53 Cb 0.60 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.19 1pnx n LEU 53 CO 0.41 -0.57 0.00 0.61 -1.11 0.00 0.00 177.39 176.73 1pnx n GLY 54 N 5.82 1.74 3.77 -3.96 0.00 -0.90 -4.86 105.19 106.81 1pnx n GLY 54 Ca 0.34 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.98 1pnx n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pnx s ASP 55 N -2.00 6.65 -0.22 1.61 1.01 -0.67 -2.91 116.67 120.15 1pnx s ASP 55 Ca 0.00 2.24 -0.11 0.00 0.71 0.00 0.00 52.55 55.39 1pnx s ASP 55 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1pnx s ASP 55 CO 0.00 -0.58 0.17 -0.69 0.21 0.00 0.00 175.17 174.28 1pnx s VAL 56 N -1.47 5.36 0.22 -1.27 1.01 -0.43 -1.22 120.40 122.60 1pnx s VAL 56 Ca 0.56 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.81 1pnx s VAL 56 Cb -0.28 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1pnx s VAL 56 CO 0.35 0.37 -0.01 0.68 0.00 0.00 0.00 175.10 176.50 1pnx s VAL 57 N 0.80 0.99 -0.22 2.92 -7.23 -0.26 -0.71 120.40 116.69 1pnx s VAL 57 Ca 0.09 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.17 1pnx s VAL 57 Cb -0.13 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 1pnx s VAL 57 CO 0.02 -0.35 0.04 -1.61 -0.31 0.00 0.00 175.10 172.89 1pnx s GLU 58 N -3.87 3.71 0.08 4.82 2.02 0.59 -1.66 118.70 124.40 1pnx s GLU 58 Ca 0.28 -0.47 -0.05 0.00 0.02 0.00 0.00 54.97 54.75 1pnx s GLU 58 Cb 0.06 -3.21 -0.05 0.00 0.10 0.00 0.00 34.13 31.03 1pnx s GLU 58 CO 0.08 -0.01 0.31 0.42 0.02 0.00 0.00 175.26 176.08 1pnx s ILE 59 N 1.11 5.24 -0.03 -1.63 -1.09 0.51 0.12 121.20 125.42 1pnx s ILE 59 Ca 0.04 0.03 0.02 0.00 -2.23 0.00 0.00 60.65 58.50 1pnx s ILE 59 Cb -0.14 -3.61 0.01 0.00 -1.58 0.00 0.00 42.46 37.14 1pnx s ILE 59 CO 0.03 0.18 -0.06 -0.51 -1.23 0.00 0.00 174.94 173.34 1pnx s ILE 60 N -1.50 0.60 0.10 2.92 -1.16 -0.37 0.02 121.20 121.81 1pnx s ILE 60 Ca 0.35 -0.21 -0.33 0.00 -0.51 0.00 0.00 60.65 59.95 1pnx s ILE 60 Cb -0.13 -0.57 -0.12 0.00 0.61 0.00 0.00 42.46 42.25 1pnx s ILE 60 CO 0.22 0.21 1.73 1.21 -2.81 0.00 0.00 174.94 175.51 1pnx n GLU 61 N 3.64 2.39 -3.66 3.50 2.13 0.78 -1.82 120.64 127.59 1pnx n GLU 61 Ca -0.21 0.87 -0.17 0.00 0.66 0.00 0.00 57.16 58.30 1pnx n GLU 61 Cb 0.53 -2.70 -0.05 0.00 0.27 0.00 0.00 31.44 29.49 1pnx n GLU 61 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1pnx n SER 62 N 4.80 0.88 -4.76 4.31 7.64 -0.75 -4.78 113.62 120.96 1pnx n SER 62 Ca 0.18 -2.52 -0.39 0.00 1.01 0.00 0.00 58.87 57.15 1pnx n SER 62 Cb 0.32 0.79 -0.06 0.00 -1.01 0.00 0.00 64.21 64.25 1pnx n SER 62 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1pnx s ARG 63 N -3.07 4.76 0.22 1.43 3.52 -1.26 -4.72 118.95 119.83 1pnx s ARG 63 Ca 0.17 1.39 -0.29 0.00 -0.13 0.00 0.00 55.73 56.87 1pnx s ARG 63 Cb 0.01 -3.21 -0.16 0.00 -1.56 0.00 0.00 34.95 30.03 1pnx s ARG 63 CO 0.12 0.50 0.80 -2.30 -0.81 0.00 0.00 175.30 173.61 1pnx n PRO 64 N 1.38 0.62 -0.04 5.12 -0.02 -1.26 -4.82 135.00 135.98 1pnx n PRO 64 Ca -0.02 0.22 -0.04 0.00 -2.02 0.00 0.00 63.50 61.63 1pnx n PRO 64 Cb 0.48 -1.44 -0.05 0.00 -0.02 0.00 0.00 33.50 32.47 1pnx n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1pnx n ILE 65 N 0.33 0.49 -3.80 4.25 5.41 -0.87 -5.03 119.36 120.14 1pnx n ILE 65 Ca 0.15 -0.26 -0.09 0.00 1.00 0.00 0.00 62.75 63.54 1pnx n ILE 65 Cb 0.27 -0.81 0.02 0.00 -0.71 0.00 0.00 39.64 38.40 1pnx n ILE 65 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1pnx n SER 66 N -2.42 -2.03 -4.74 4.38 3.41 -1.22 -5.08 113.62 105.92 1pnx n SER 66 Ca -0.13 -2.57 -0.41 0.00 -0.26 0.00 0.00 58.87 55.51 1pnx n SER 66 Cb 0.71 3.43 -0.04 0.00 -0.26 0.00 0.00 64.21 68.05 1pnx n SER 66 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1pnx s LYS 67 N -2.20 4.59 -0.89 4.33 2.20 -1.26 -3.55 119.74 122.95 1pnx s LYS 67 Ca 0.17 1.78 -0.03 0.00 -0.36 0.00 0.00 55.97 57.53 1pnx s LYS 67 Cb -0.04 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1pnx s LYS 67 CO 0.13 0.09 0.81 -2.13 -0.36 0.00 0.00 175.35 173.88 1pnx n ARG 68 N 2.01 -1.76 0.00 4.03 0.63 -1.26 -4.99 116.66 115.32 1pnx n ARG 68 Ca 0.02 1.18 0.00 0.00 -0.92 0.00 0.00 57.85 58.13 1pnx n ARG 68 Cb 0.45 -5.76 0.00 0.00 0.45 0.00 0.00 32.46 27.61 1pnx n ARG 68 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1pnx n LYS 69 N -2.50 0.00 -1.66 -0.14 4.81 -1.23 -4.76 118.16 112.67 1pnx n LYS 69 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1pnx n LYS 69 Cb 0.56 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.68 1pnx n LYS 69 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1pnx n ARG 70 N 0.00 1.22 -3.83 1.64 3.00 -1.26 -2.06 116.66 115.37 1pnx n ARG 70 Ca 0.00 -2.92 -0.12 0.00 -0.01 0.00 0.00 57.85 54.80 1pnx n ARG 70 Cb 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 32.46 31.32 1pnx n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1pnx s PHE 71 N -2.07 -0.10 0.03 -1.55 0.08 -1.26 -1.82 117.98 111.29 1pnx s PHE 71 Ca 0.36 0.22 0.08 0.00 0.12 0.00 0.00 56.93 57.71 1pnx s PHE 71 Cb 0.37 0.02 -0.03 0.00 -0.57 0.00 0.00 43.02 42.82 1pnx s PHE 71 CO -0.09 -0.18 -0.24 1.03 -0.10 0.00 0.00 175.22 175.63 1pnx s ARG 72 N -0.56 1.74 -0.58 0.44 0.52 -0.76 -0.68 118.95 119.07 1pnx s ARG 72 Ca -0.07 -1.01 -0.27 0.00 -0.52 0.00 0.00 55.73 53.87 1pnx s ARG 72 Cb -0.04 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 1pnx s ARG 72 CO 0.01 0.48 1.89 0.08 0.02 0.00 0.00 175.30 177.78 1pnx s VAL 73 N -0.74 3.34 0.07 3.52 1.01 -1.15 -1.24 120.40 125.21 1pnx s VAL 73 Ca 0.10 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 61.99 1pnx s VAL 73 Cb -0.09 -3.86 -0.18 0.00 0.00 0.00 0.00 36.38 32.25 1pnx s VAL 73 CO 0.01 -0.81 1.61 0.25 0.00 0.00 0.00 175.10 176.16 1pnx h LEU 74 N 16.41 -0.63 -7.73 3.92 6.46 0.56 -3.48 115.31 130.81 1pnx h LEU 74 Ca -0.26 0.01 0.18 0.00 -0.12 0.00 0.00 57.88 57.69 1pnx h LEU 74 Cb 1.17 0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 41.20 1pnx h LEU 74 CO 1.20 -0.43 0.54 0.00 -0.62 0.00 0.00 178.44 179.13 1pnx s ARG 75 N -5.96 1.20 -0.14 1.25 1.70 -1.09 -4.97 118.95 110.94 1pnx s ARG 75 Ca -0.17 -0.71 -0.15 0.00 -0.47 0.00 0.00 55.73 54.24 1pnx s ARG 75 Cb 0.04 0.38 -0.05 0.00 -0.57 0.00 0.00 34.95 34.75 1pnx s ARG 75 CO 0.62 -0.55 0.34 -1.17 -1.08 0.00 0.00 175.30 173.45 1pnx s LEU 76 N -3.10 4.27 -0.23 -1.89 0.20 -1.26 -0.30 118.68 116.37 1pnx s LEU 76 Ca 0.16 0.61 -0.00 0.00 0.69 0.00 0.00 54.13 55.58 1pnx s LEU 76 Cb -0.01 -2.46 -0.19 0.00 -0.43 0.00 0.00 46.19 43.10 1pnx s LEU 76 CO 0.03 0.10 -0.10 0.52 -0.29 0.00 0.00 176.35 176.61 1pnx n VAL 77 N 3.44 1.56 -3.61 1.68 0.31 0.11 -4.94 118.33 116.88 1pnx n VAL 77 Ca -0.11 -0.59 -0.03 0.00 -0.01 0.00 0.00 64.34 63.60 1pnx n VAL 77 Cb 0.52 -1.50 -0.06 0.00 -0.91 0.00 0.00 33.84 31.89 1pnx n VAL 77 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1pnx s GLU 78 N -2.53 0.54 0.92 5.55 -1.05 -1.21 -5.02 118.70 115.90 1pnx s GLU 78 Ca -0.32 1.08 -0.13 0.00 -0.15 0.00 0.00 54.97 55.44 1pnx s GLU 78 Cb 0.09 0.34 0.14 0.00 -0.44 0.00 0.00 34.13 34.26 1pnx s GLU 78 CO 0.64 -0.14 1.18 0.45 0.95 0.00 0.00 175.26 178.33 1pnx s SER 79 N 1.98 3.50 0.00 0.83 0.15 -1.26 -1.31 113.70 117.59 1pnx s SER 79 Ca -0.08 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1pnx s SER 79 Cb -0.06 -1.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.03 1pnx s SER 79 CO -0.18 -2.54 0.00 0.61 1.20 0.00 0.00 173.24 172.33 1pnx n GLY 80 N -2.65 0.00 0.00 9.45 0.00 -1.25 -4.82 105.19 105.91 1pnx n GLY 80 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1pnx n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pnx n ARG 81 N 0.30 0.00 0.09 1.61 1.85 -1.14 -4.95 116.66 114.41 1pnx n ARG 81 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.95 1pnx n ARG 81 Cb 0.00 0.00 0.42 0.00 -1.05 0.00 0.00 32.46 31.83 1pnx n ARG 81 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1pnx n MET 82 N 0.00 0.12 -0.09 2.89 2.81 -1.26 -2.95 117.12 118.63 1pnx n MET 82 Ca 0.00 0.40 0.26 0.00 -1.81 0.00 0.00 57.70 56.54 1pnx n MET 82 Cb 0.00 -1.75 0.72 0.00 -0.71 0.00 0.00 33.22 31.48 1pnx n MET 82 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1pnx h ASP 83 N 0.00 0.00 0.05 7.83 2.03 -1.96 0.26 116.42 124.63 1pnx h ASP 83 Ca 0.00 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.11 1pnx h ASP 83 Cb 0.27 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.76 1pnx h ASP 83 CO 0.00 0.00 -1.01 -0.07 -1.03 0.00 0.00 179.24 177.13 1pnx h LEU 84 N 0.00 0.15 -1.07 0.15 3.38 -1.94 -3.29 115.31 112.68 1pnx h LEU 84 Ca 0.35 -0.77 0.18 0.00 0.09 0.00 0.00 57.88 57.73 1pnx h LEU 84 Cb 1.53 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 42.13 1pnx h LEU 84 CO -0.00 1.42 0.62 0.58 0.09 0.00 0.00 178.44 181.14 1pnx h VAL 85 N -0.73 0.75 0.12 1.22 2.07 -1.39 -2.06 116.25 116.23 1pnx h VAL 85 Ca -0.24 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.03 1pnx h VAL 85 Cb 1.41 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1pnx h VAL 85 CO -0.05 0.14 -0.45 -0.33 0.02 0.00 0.00 177.57 176.90 1pnx h GLU 86 N 0.77 -0.66 -0.36 1.57 4.39 -0.64 0.12 114.58 119.76 1pnx h GLU 86 Ca 0.55 0.05 0.05 0.00 0.34 0.00 0.00 59.36 60.34 1pnx h GLU 86 Cb 0.84 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 29.56 1pnx h GLU 86 CO -0.33 -0.44 -0.53 0.87 -1.16 0.00 0.00 179.01 177.42 1pnx h LYS 87 N -0.69 -0.40 -0.58 2.33 1.57 -1.45 0.55 116.57 117.89 1pnx h LYS 87 Ca 0.01 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.94 1pnx h LYS 87 Cb 0.71 0.09 -0.10 0.00 0.08 0.00 0.00 32.23 33.01 1pnx h LYS 87 CO -0.25 -0.27 -0.01 -0.92 -0.57 0.00 0.00 179.45 177.43 1pnx h TYR 88 N -0.42 -0.05 -0.15 -1.35 3.20 -1.19 0.56 116.97 117.58 1pnx h TYR 88 Ca 0.08 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1pnx h TYR 88 Cb 0.61 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 1pnx h TYR 88 CO -0.68 -0.15 -0.06 -0.07 -1.64 0.00 0.00 178.16 175.55 1pnx h LEU 89 N 0.11 0.30 -1.28 2.82 3.38 0.53 -1.79 115.31 119.39 1pnx h LEU 89 Ca 0.30 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1pnx h LEU 89 Cb 0.48 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1pnx h LEU 89 CO -0.50 0.63 0.53 0.40 0.09 0.00 0.00 178.44 179.59 1pnx h ILE 90 N -0.02 1.03 -0.25 1.22 2.04 0.41 0.14 117.51 122.07 1pnx h ILE 90 Ca 0.03 -0.29 -0.14 0.00 1.00 0.00 0.00 64.86 65.46 1pnx h ILE 90 Cb 0.51 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1pnx h ILE 90 CO 0.02 0.16 -0.43 -0.09 0.00 0.00 0.00 178.15 177.81 1pnx h ARG 91 N 0.86 0.62 -0.15 2.37 2.43 -0.73 -2.24 114.38 117.53 1pnx h ARG 91 Ca 0.35 -0.33 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1pnx h ARG 91 Cb 0.27 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1pnx h ARG 91 CO -0.13 0.93 -0.23 -0.09 -1.51 0.00 0.00 179.97 178.95 1pnx h ARG 92 N 0.50 0.27 -0.45 0.20 2.43 -0.15 -2.90 114.38 114.28 1pnx h ARG 92 Ca 0.04 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 1pnx h ARG 92 Cb 0.95 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 1pnx h ARG 92 CO 0.09 0.49 -0.05 0.37 -1.51 0.00 0.00 179.97 179.35 1pnx h GLN 93 N 0.24 0.77 -0.06 0.20 4.15 -0.23 -2.55 115.11 117.64 1pnx h GLN 93 Ca 0.04 -0.23 -0.07 0.00 0.77 0.00 0.00 58.65 59.16 1pnx h GLN 93 Cb 0.54 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1pnx h GLN 93 CO 0.04 0.82 -0.27 -0.91 -1.93 0.00 0.00 178.83 176.57 1pnx h ASN 94 N 0.71 0.10 -0.75 -0.69 2.35 -1.26 -1.35 115.58 114.69 1pnx h ASN 94 Ca 0.13 -0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.91 1pnx h ASN 94 Cb 0.51 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.81 1pnx h ASN 94 CO 0.03 0.38 0.49 1.88 -1.65 0.00 0.00 177.43 178.56 1pnx h TYR 95 N 0.09 0.82 0.00 1.19 -1.99 -1.43 -2.48 116.97 113.17 1pnx h TYR 95 Ca 0.01 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1pnx h TYR 95 Cb 0.54 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.99 1pnx h TYR 95 CO 0.00 0.45 0.00 0.94 -0.00 0.00 0.00 178.16 179.55 1pnx n GLN 96 N -4.47 0.00 0.00 4.88 0.00 -0.51 -4.25 117.38 113.02 1pnx n GLN 96 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.11 1pnx n GLN 96 Cb 0.20 -0.85 0.00 0.00 0.00 0.00 0.00 30.24 29.59 1pnx n GLN 96 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1pnx n SER 97 N 0.37 0.00 -2.49 1.69 3.41 -0.93 -4.88 113.62 110.79 1pnx n SER 97 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1pnx n SER 97 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pnx n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pnx n LEU 98 N 0.00 -0.01 0.06 1.04 -0.00 -1.25 -4.56 117.00 112.27 1pnx n LEU 98 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1pnx n LEU 98 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 1pnx n LEU 98 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.39 175.85 1pnx n SER 99 N 0.29 0.08 0.00 1.45 3.41 -1.26 -4.92 113.62 112.66 1pnx n SER 99 Ca -0.00 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1pnx n SER 99 Cb 0.01 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1pnx n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pnx n LYS 100 N -2.95 2.05 0.00 4.33 5.02 -1.26 -4.98 118.16 120.37 1pnx n LYS 100 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1pnx n LYS 100 Cb 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 1pnx n LYS 100 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pnx n ARG 101 N -0.29 0.00 0.00 1.97 5.12 -1.26 -5.18 116.66 117.02 1pnx n ARG 101 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1pnx n ARG 101 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1pnx n ARG 101 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pnx n GLY 102 N 4.30 4.67 3.68 -0.13 0.00 -1.26 -4.76 105.19 111.69 1pnx n GLY 102 Ca 0.00 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 1pnx n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pnx s GLY 103 N 0.00 2.09 0.00 -0.02 0.00 -1.26 -4.25 107.32 103.88 1pnx s GLY 103 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.17 1pnx s GLY 103 CO 0.00 2.13 0.00 0.28 0.00 0.00 0.00 173.10 175.51 1pnx n LYS 104 N 5.43 0.78 0.00 2.90 4.76 -1.26 -4.92 118.16 125.86 1pnx n LYS 104 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1pnx n LYS 104 Cb 0.47 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 1pnx n LYS 104 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03