#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pcf s MET 63 N 0.00 1.81 -0.17 0.00 -1.94 -1.26 -0.87 119.30 116.87 1pcf s MET 63 Ca 0.00 -0.88 -0.00 0.00 -1.71 0.00 0.00 55.69 53.10 1pcf s MET 63 Cb 0.00 -1.80 0.04 0.00 2.01 0.00 0.00 34.83 35.08 1pcf s MET 63 CO 0.00 0.49 -0.07 -0.06 -0.01 0.00 0.00 175.02 175.36 1pcf s PHE 64 N -0.61 1.89 0.10 -0.03 0.08 0.20 -4.98 117.98 114.63 1pcf s PHE 64 Ca 0.09 -1.18 -0.30 0.00 0.12 0.00 0.00 56.93 55.66 1pcf s PHE 64 Cb -0.09 -1.41 -0.06 0.00 -0.57 0.00 0.00 43.02 40.90 1pcf s PHE 64 CO -0.00 -0.64 0.94 -1.14 -0.10 0.00 0.00 175.22 174.28 1pcf s GLN 65 N 1.57 4.68 -0.00 0.44 0.74 -1.26 -0.71 119.66 125.12 1pcf s GLN 65 Ca 0.01 1.42 0.05 0.00 0.05 0.00 0.00 55.36 56.89 1pcf s GLN 65 Cb -0.15 -3.38 -0.06 0.00 1.10 0.00 0.00 33.01 30.52 1pcf s GLN 65 CO -0.08 0.22 0.18 0.44 -0.55 0.00 0.00 175.29 175.50 1pcf n ILE 66 N 2.80 0.00 -3.85 -2.34 -5.35 -0.20 -4.93 119.36 105.49 1pcf n ILE 66 Ca 0.02 -0.32 -0.02 0.00 -0.27 0.00 0.00 62.75 62.15 1pcf n ILE 66 Cb 0.49 0.86 0.01 0.00 -1.74 0.00 0.00 39.64 39.26 1pcf n ILE 66 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pcf s GLY 67 N -1.72 -0.01 0.09 3.28 0.00 -1.02 -4.97 107.32 102.97 1pcf s GLY 67 Ca 0.01 -0.14 -0.31 0.00 0.00 0.00 0.00 44.72 44.28 1pcf s GLY 67 CO 0.20 2.05 1.72 1.25 0.00 0.00 0.00 173.10 178.32 1pcf s LYS 68 N -2.39 4.17 -1.39 2.90 2.20 -1.26 -1.82 119.74 122.15 1pcf s LYS 68 Ca 0.20 2.43 0.00 0.00 -0.36 0.00 0.00 55.97 58.24 1pcf s LYS 68 Cb -0.02 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1pcf s LYS 68 CO 0.04 -0.78 0.00 -1.33 -0.36 0.00 0.00 175.35 172.92 1pcf n MET 69 N 5.65 -0.92 -3.83 4.03 2.81 -1.26 -4.94 117.12 118.66 1pcf n MET 69 Ca 0.17 0.96 -0.21 0.00 -1.81 0.00 0.00 57.70 56.81 1pcf n MET 69 Cb 0.40 -5.02 -0.17 0.00 -0.71 0.00 0.00 33.22 27.71 1pcf n MET 69 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1pcf s ARG 70 N -3.11 0.43 0.05 0.03 0.52 -0.76 0.01 118.95 116.13 1pcf s ARG 70 Ca 0.00 0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.37 1pcf s ARG 70 Cb 0.00 -0.76 -0.03 0.00 0.52 0.00 0.00 34.95 34.69 1pcf s ARG 70 CO 0.00 -0.24 -0.09 0.71 0.02 0.00 0.00 175.30 175.69 1pcf s TYR 71 N 1.67 0.83 -0.21 -0.53 1.51 -0.63 -1.04 117.35 118.96 1pcf s TYR 71 Ca -0.00 -0.51 -0.12 0.00 -1.01 0.00 0.00 57.07 55.43 1pcf s TYR 71 Cb -0.13 -0.49 -0.05 0.00 -0.11 0.00 0.00 41.96 41.19 1pcf s TYR 71 CO -0.03 -0.05 0.21 0.08 -1.11 0.00 0.00 175.55 174.65 1pcf s VAL 72 N -1.48 5.34 -0.10 0.71 1.01 0.11 -1.63 120.40 124.36 1pcf s VAL 72 Ca -0.06 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1pcf s VAL 72 Cb -0.09 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1pcf s VAL 72 CO 0.01 0.37 -0.14 -0.55 0.00 0.00 0.00 175.10 174.79 1pcf s SER 73 N 0.73 3.98 -0.13 3.32 0.15 0.84 -0.63 113.70 121.96 1pcf s SER 73 Ca 0.11 -0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.50 1pcf s SER 73 Cb -0.13 -1.30 0.01 0.00 -1.71 0.00 0.00 66.02 62.89 1pcf s SER 73 CO 0.03 0.24 -0.21 -0.69 1.20 0.00 0.00 173.24 173.80 1pcf s VAL 74 N -0.08 1.98 0.14 4.45 1.01 -0.05 -0.32 120.40 127.53 1pcf s VAL 74 Ca -0.02 -0.94 -0.25 0.00 0.00 0.00 0.00 61.98 60.76 1pcf s VAL 74 Cb -0.14 -1.75 0.07 0.00 0.00 0.00 0.00 36.38 34.56 1pcf s VAL 74 CO 0.04 0.54 0.84 0.00 0.00 0.00 0.00 175.10 176.51 1pcf s ARG 75 N 0.74 1.23 0.31 2.72 1.70 -1.02 -0.65 118.95 123.98 1pcf s ARG 75 Ca -0.09 -0.60 -0.29 0.00 -0.47 0.00 0.00 55.73 54.28 1pcf s ARG 75 Cb -0.16 0.47 -0.10 0.00 -0.57 0.00 0.00 34.95 34.59 1pcf s ARG 75 CO 0.00 -0.55 1.18 0.34 -1.08 0.00 0.00 175.30 175.19 1pcf s ASP 76 N -2.79 7.04 -0.26 -2.89 2.15 -1.26 -1.35 116.67 117.32 1pcf s ASP 76 Ca 0.08 2.43 -0.03 0.00 0.43 0.00 0.00 52.55 55.47 1pcf s ASP 76 Cb -0.02 -2.63 0.09 0.00 -0.30 0.00 0.00 42.92 40.05 1pcf s ASP 76 CO -0.02 -0.32 0.09 0.12 -0.17 0.00 0.00 175.17 174.87 1pcf s PHE 77 N -1.17 0.95 -1.41 -5.34 5.36 0.22 -4.85 117.98 111.74 1pcf s PHE 77 Ca 0.47 -1.10 -0.06 0.00 -0.96 0.00 0.00 56.93 55.28 1pcf s PHE 77 Cb -0.35 -1.18 0.04 0.00 -0.34 0.00 0.00 43.02 41.19 1pcf s PHE 77 CO 0.45 -0.76 0.83 1.63 -1.46 0.00 0.00 175.22 175.92 1pcf n LYS 78 N 5.07 -5.26 -0.66 10.12 5.02 -1.26 -1.67 118.16 129.52 1pcf n LYS 78 Ca -0.06 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1pcf n LYS 78 Cb 0.44 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 1pcf n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pcf n GLY 79 N -1.65 0.82 3.17 0.72 0.00 -1.26 -5.04 105.19 101.96 1pcf n GLY 79 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1pcf n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pcf s LYS 80 N -0.34 1.15 0.12 1.61 1.02 -0.67 -5.09 119.74 117.54 1pcf s LYS 80 Ca 0.00 -0.76 -0.29 0.00 0.02 0.00 0.00 55.97 54.93 1pcf s LYS 80 Cb 0.00 -1.18 -0.06 0.00 -0.52 0.00 0.00 37.83 36.07 1pcf s LYS 80 CO 0.00 0.30 0.92 0.08 -0.92 0.00 0.00 175.35 175.74 1pcf s VAL 81 N -0.72 4.46 0.02 3.17 1.01 -1.26 0.70 120.40 127.78 1pcf s VAL 81 Ca 0.04 2.00 0.08 0.00 0.00 0.00 0.00 61.98 64.10 1pcf s VAL 81 Cb -0.08 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1pcf s VAL 81 CO 0.01 0.36 -0.22 -0.76 0.00 0.00 0.00 175.10 174.49 1pcf s LEU 82 N -0.24 2.36 -0.35 3.92 1.43 -0.46 -4.35 118.68 120.99 1pcf s LEU 82 Ca 0.44 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1pcf s LEU 82 Cb -0.23 -1.40 0.07 0.00 0.03 0.00 0.00 46.19 44.65 1pcf s LEU 82 CO 0.29 0.28 0.10 -0.63 0.23 0.00 0.00 176.35 176.62 1pcf s ILE 83 N -0.80 3.38 -0.17 -0.59 1.09 0.29 -2.43 121.20 121.97 1pcf s ILE 83 Ca 0.12 -1.51 -0.02 0.00 -1.10 0.00 0.00 60.65 58.14 1pcf s ILE 83 Cb -0.10 -3.05 -0.02 0.00 -1.06 0.00 0.00 42.46 38.23 1pcf s ILE 83 CO 0.02 -0.32 -0.07 -0.62 -0.10 0.00 0.00 174.94 173.85 1pcf s ASP 84 N 1.52 4.33 -0.24 3.58 2.15 0.56 0.11 116.67 128.68 1pcf s ASP 84 Ca 0.00 -0.30 -0.04 0.00 0.43 0.00 0.00 52.55 52.64 1pcf s ASP 84 Cb -0.21 -1.70 -0.00 0.00 -0.30 0.00 0.00 42.92 40.71 1pcf s ASP 84 CO -0.01 0.10 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.43 1pcf s ILE 85 N 0.77 3.38 0.06 4.11 1.01 -0.23 -0.11 121.20 130.18 1pcf s ILE 85 Ca -0.03 -0.61 -0.26 0.00 0.00 0.00 0.00 60.65 59.75 1pcf s ILE 85 Cb -0.15 -2.60 0.07 0.00 0.01 0.00 0.00 42.46 39.79 1pcf s ILE 85 CO 0.02 0.34 0.61 -0.60 0.00 0.00 0.00 174.94 175.30 1pcf s ARG 86 N 1.46 1.14 0.09 2.79 3.52 -0.65 -1.35 118.95 125.95 1pcf s ARG 86 Ca 0.04 -0.15 -0.21 0.00 -0.13 0.00 0.00 55.73 55.28 1pcf s ARG 86 Cb -0.15 0.53 -0.07 0.00 -1.56 0.00 0.00 34.95 33.70 1pcf s ARG 86 CO -0.03 -0.43 0.62 -1.21 -0.81 0.00 0.00 175.30 173.44 1pcf s GLU 87 N -2.51 4.29 0.27 5.12 2.02 -0.75 -1.61 118.70 125.53 1pcf s GLU 87 Ca -0.05 0.84 0.11 0.00 0.02 0.00 0.00 54.97 55.89 1pcf s GLU 87 Cb -0.01 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.93 1pcf s GLU 87 CO -0.02 0.60 -0.14 0.71 0.02 0.00 0.00 175.26 176.44 1pcf s TYR 88 N -1.05 2.43 0.35 1.61 1.51 0.10 -0.75 117.35 121.55 1pcf s TYR 88 Ca 0.31 -0.29 0.08 0.00 -1.01 0.00 0.00 57.07 56.15 1pcf s TYR 88 Cb -0.20 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 1pcf s TYR 88 CO 0.21 0.67 0.14 -1.58 -1.11 0.00 0.00 175.55 173.88 1pcf s TRP 89 N -2.37 2.69 -0.24 2.71 0.52 0.69 -4.84 118.94 118.10 1pcf s TRP 89 Ca 0.30 -0.40 -0.04 0.00 0.02 0.00 0.00 56.10 55.97 1pcf s TRP 89 Cb -0.06 -1.67 -0.00 0.00 -1.15 0.00 0.00 33.47 30.60 1pcf s TRP 89 CO 0.16 0.33 -0.02 1.41 0.02 0.00 0.00 176.95 178.85 1pcf s MET 90 N -3.85 3.28 0.95 4.98 -2.45 -1.26 -0.56 119.30 120.39 1pcf s MET 90 Ca 0.38 -0.70 -0.14 0.00 -1.25 0.00 0.00 55.69 53.98 1pcf s MET 90 Cb -0.02 -3.09 0.16 0.00 1.25 0.00 0.00 34.83 33.14 1pcf s MET 90 CO 0.23 -0.26 1.16 0.16 1.05 0.00 0.00 175.02 177.35 1pcf s ASP 91 N 1.47 3.17 0.23 1.11 1.47 -0.37 -4.91 116.67 118.84 1pcf s ASP 91 Ca 0.05 0.81 0.20 0.00 1.18 0.00 0.00 52.55 54.79 1pcf s ASP 91 Cb -0.15 -1.27 0.93 0.00 -0.34 0.00 0.00 42.92 42.09 1pcf s ASP 91 CO -0.02 -2.75 1.61 -2.65 0.68 0.00 0.00 175.17 172.04 1pcf n PRO 92 N -3.87 0.14 0.00 2.11 -0.02 -1.26 -1.25 135.00 130.85 1pcf n PRO 92 Ca 0.09 0.49 0.14 0.00 -2.02 0.00 0.00 63.50 62.20 1pcf n PRO 92 Cb 0.59 -1.84 0.57 0.00 -0.02 0.00 0.00 33.50 32.81 1pcf n PRO 92 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pcf n GLU 93 N -2.11 1.21 -0.60 -0.52 4.71 -1.26 -4.92 120.64 117.15 1pcf n GLU 93 Ca 0.01 -0.59 0.00 0.00 -0.01 0.00 0.00 57.16 56.57 1pcf n GLU 93 Cb 0.14 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 1pcf n GLU 93 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pcf n GLY 94 N 1.21 0.71 3.84 0.62 0.00 -0.38 -5.05 105.19 106.14 1pcf n GLY 94 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1pcf n GLY 94 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pcf s GLU 95 N -0.40 4.04 -0.10 1.61 2.02 -1.26 -4.82 118.70 119.80 1pcf s GLU 95 Ca 0.00 0.57 -0.28 0.00 0.02 0.00 0.00 54.97 55.28 1pcf s GLU 95 Cb 0.00 -2.97 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 1pcf s GLU 95 CO 0.00 0.49 0.92 -1.64 0.02 0.00 0.00 175.26 175.06 1pcf s MET 96 N -1.84 4.42 -0.06 1.61 -1.94 -1.26 -1.24 119.30 119.00 1pcf s MET 96 Ca 0.37 1.25 0.05 0.00 -1.71 0.00 0.00 55.69 55.65 1pcf s MET 96 Cb -0.16 -3.52 -0.01 0.00 2.01 0.00 0.00 34.83 33.15 1pcf s MET 96 CO 0.19 -0.22 -0.21 0.15 -0.01 0.00 0.00 175.02 174.92 1pcf s LYS 97 N 1.72 2.25 0.03 2.03 -0.14 0.28 -4.96 119.74 120.95 1pcf s LYS 97 Ca 0.45 -0.76 -0.30 0.00 -1.36 0.00 0.00 55.97 54.00 1pcf s LYS 97 Cb -0.18 -1.89 -0.07 0.00 -1.68 0.00 0.00 37.83 34.01 1pcf s LYS 97 CO 0.18 0.29 1.48 -1.25 -0.76 0.00 0.00 175.35 175.30 1pcf s PRO 98 N 0.01 4.26 0.89 -1.68 0.04 -1.26 -0.22 135.00 137.03 1pcf s PRO 98 Ca -0.06 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 1pcf s PRO 98 Cb -0.13 -3.55 0.18 0.00 0.04 0.00 0.00 34.50 31.03 1pcf s PRO 98 CO 0.04 -0.62 1.22 0.20 0.04 0.00 0.00 177.00 177.88 1pcf s GLY 99 N 1.98 1.77 0.27 0.56 0.00 0.07 -4.84 107.32 107.13 1pcf s GLY 99 Ca 0.67 -1.34 0.25 0.00 0.00 0.00 0.00 44.72 44.31 1pcf s GLY 99 CO 0.29 -0.63 1.68 3.21 0.00 0.00 0.00 173.10 177.65 1pcf h ARG 100 N -1.30 0.00 -4.77 2.90 3.08 -1.96 -3.41 114.38 108.91 1pcf h ARG 100 Ca -0.42 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 58.92 1pcf h ARG 100 Cb 1.25 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.10 1pcf h ARG 100 CO 0.40 0.00 0.59 0.15 -1.07 0.00 0.00 179.97 180.04 1pcf s LYS 101 N -3.14 3.51 0.18 0.04 1.02 -1.26 -4.90 119.74 115.19 1pcf s LYS 101 Ca 0.09 -1.80 -0.23 0.00 0.02 0.00 0.00 55.97 54.04 1pcf s LYS 101 Cb 0.10 -4.71 0.07 0.00 -0.52 0.00 0.00 37.83 32.77 1pcf s LYS 101 CO 0.63 -1.65 0.97 0.20 -0.92 0.00 0.00 175.35 174.57 1pcf s GLY 102 N 3.33 -0.09 -0.06 -3.33 0.00 -1.26 -1.81 107.32 104.11 1pcf s GLY 102 Ca 0.27 -0.08 -0.04 0.00 0.00 0.00 0.00 44.72 44.87 1pcf s GLY 102 CO -0.07 0.65 0.15 -1.50 0.00 0.00 0.00 173.10 172.33 1pcf s ILE 103 N -2.91 -0.02 -0.31 0.90 2.07 -0.46 -4.99 121.20 115.48 1pcf s ILE 103 Ca 0.15 0.07 -0.12 0.00 -1.41 0.00 0.00 60.65 59.34 1pcf s ILE 103 Cb -0.02 -0.23 -0.03 0.00 0.13 0.00 0.00 42.46 42.31 1pcf s ILE 103 CO 0.04 0.03 0.21 -0.44 -1.91 0.00 0.00 174.94 172.86 1pcf s SER 104 N 0.49 5.96 0.01 4.50 0.01 -1.26 -1.07 113.70 122.34 1pcf s SER 104 Ca -0.03 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 56.95 1pcf s SER 104 Cb -0.05 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1pcf s SER 104 CO -0.02 -0.15 0.13 -0.76 0.41 0.00 0.00 173.24 172.85 1pcf s LEU 105 N 1.72 4.12 0.74 2.44 1.43 0.12 -4.93 118.68 124.32 1pcf s LEU 105 Ca 0.06 0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.31 1pcf s LEU 105 Cb -0.17 -2.51 0.08 0.00 0.03 0.00 0.00 46.19 43.63 1pcf s LEU 105 CO 0.10 0.24 1.05 0.54 0.23 0.00 0.00 176.35 178.51 1pcf s ASN 106 N -1.98 4.56 0.42 2.29 2.20 -1.26 -0.55 114.94 120.62 1pcf s ASN 106 Ca 0.27 0.34 0.08 0.00 -0.94 0.00 0.00 52.86 52.61 1pcf s ASN 106 Cb -0.12 -0.89 0.89 0.00 -2.00 0.00 0.00 41.25 39.13 1pcf s ASN 106 CO 0.18 -1.76 2.05 -0.65 -2.94 0.00 0.00 177.10 173.98 1pcf h PRO 107 N -0.72 0.51 -0.25 3.55 0.11 -1.98 -0.55 132.00 132.67 1pcf h PRO 107 Ca -0.44 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1pcf h PRO 107 Cb 1.30 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1pcf h PRO 107 CO 0.55 0.34 -0.38 1.49 -0.21 0.00 0.00 178.00 179.79 1pcf h GLU 108 N 0.52 0.58 -0.20 1.05 4.81 -1.97 0.80 114.58 120.17 1pcf h GLU 108 Ca 0.17 -0.28 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 1pcf h GLU 108 Cb 0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1pcf h GLU 108 CO -0.04 0.87 -0.23 1.96 -0.73 0.00 0.00 179.01 180.83 1pcf h GLN 109 N 0.48 0.51 -0.92 1.92 4.20 -1.79 -1.24 115.11 118.27 1pcf h GLN 109 Ca 0.04 -0.28 0.03 0.00 0.06 0.00 0.00 58.65 58.50 1pcf h GLN 109 Cb 0.88 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.62 1pcf h GLN 109 CO 0.08 0.87 0.60 2.35 -0.67 0.00 0.00 178.83 182.06 1pcf h TRP 110 N 0.18 1.13 -0.46 2.96 2.91 -0.97 -0.57 115.95 121.12 1pcf h TRP 110 Ca 0.03 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.07 1pcf h TRP 110 Cb 0.79 -0.38 -0.02 0.00 -0.51 0.00 0.00 29.16 29.04 1pcf h TRP 110 CO 0.08 0.66 0.28 1.03 -1.03 0.00 0.00 178.44 179.47 1pcf h SER 111 N 1.18 0.56 -0.63 2.65 0.87 -0.58 -1.75 113.55 115.84 1pcf h SER 111 Ca 0.36 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.81 1pcf h SER 111 Cb -0.03 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 1pcf h SER 111 CO -0.11 0.45 0.16 1.56 -0.53 0.00 0.00 176.83 178.36 1pcf h GLN 112 N 0.62 1.03 -0.71 2.24 4.20 -1.00 -0.28 115.11 121.21 1pcf h GLN 112 Ca 0.17 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1pcf h GLN 112 Cb -0.01 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1pcf h GLN 112 CO -0.03 0.91 0.43 1.25 -0.67 0.00 0.00 178.83 180.71 1pcf h LEU 113 N 0.98 0.85 -1.13 1.46 5.85 -0.83 -2.19 115.31 120.31 1pcf h LEU 113 Ca 0.21 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 1pcf h LEU 113 Cb 0.34 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1pcf h LEU 113 CO -0.00 0.66 -0.42 0.11 -0.34 0.00 0.00 178.44 178.45 1pcf h LYS 114 N 0.97 0.00 0.00 1.25 1.57 -0.74 -1.61 116.57 118.01 1pcf h LYS 114 Ca 0.25 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1pcf h LYS 114 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1pcf h LYS 114 CO -0.05 0.42 -0.10 0.93 -0.57 0.00 0.00 179.45 180.09 1pcf h GLU 115 N 0.00 0.00 -0.04 3.15 5.08 -0.65 -2.05 114.58 120.07 1pcf h GLU 115 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pcf h GLU 115 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1pcf h GLU 115 CO 0.06 0.10 0.00 1.04 -1.00 0.00 0.00 179.01 179.20 1pcf n GLN 116 N -3.26 2.10 -0.15 2.33 1.13 -0.63 -4.55 117.38 114.35 1pcf n GLN 116 Ca 0.00 -1.61 -0.07 0.00 -1.94 0.00 0.00 57.00 53.38 1pcf n GLN 116 Cb 0.34 -1.47 0.02 0.00 0.11 0.00 0.00 30.24 29.24 1pcf n GLN 116 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1pcf h ILE 117 N 3.86 1.09 -0.65 5.09 2.04 -1.09 0.94 117.51 128.80 1pcf h ILE 117 Ca 0.00 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1pcf h ILE 117 Cb 0.82 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1pcf h ILE 117 CO 0.00 0.11 0.41 -1.28 0.00 0.00 0.00 178.15 177.38 1pcf h SER 118 N 0.60 0.67 0.09 1.72 0.87 -1.80 -0.24 113.55 115.45 1pcf h SER 118 Ca 0.17 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.61 1pcf h SER 118 Cb -0.04 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1pcf h SER 118 CO -0.05 0.47 -0.41 0.44 -0.53 0.00 0.00 176.83 176.75 1pcf h ASP 119 N 0.80 0.43 -0.44 6.23 3.32 -1.75 -1.49 116.42 123.53 1pcf h ASP 119 Ca 0.26 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1pcf h ASP 119 Cb 0.00 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1pcf h ASP 119 CO -0.10 0.80 0.08 0.40 -1.72 0.00 0.00 179.24 178.70 1pcf h ILE 120 N 0.34 1.24 -0.41 0.35 2.04 -0.27 -2.20 117.51 118.60 1pcf h ILE 120 Ca 0.03 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 64.95 1pcf h ILE 120 Cb 0.87 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1pcf h ILE 120 CO 0.07 0.30 -0.06 0.44 0.00 0.00 0.00 178.15 178.90 1pcf h ASP 121 N 0.59 0.68 -0.68 1.72 3.32 -0.93 -0.73 116.42 120.37 1pcf h ASP 121 Ca 0.14 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1pcf h ASP 121 Cb 0.36 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1pcf h ASP 121 CO 0.01 0.79 0.43 0.44 -1.72 0.00 0.00 179.24 179.19 1pcf h ASP 122 N 0.65 0.80 0.00 6.45 3.32 -1.07 -2.42 116.42 124.15 1pcf h ASP 122 Ca 0.12 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1pcf h ASP 122 Cb 0.50 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1pcf h ASP 122 CO 0.03 0.61 -0.23 0.00 -1.72 0.00 0.00 179.24 177.92 1pcf h ALA 123 N 1.23 1.22 -0.55 3.45 0.00 -0.76 -2.76 119.26 121.09 1pcf h ALA 123 Ca 0.25 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1pcf h ALA 123 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1pcf h ALA 123 CO -0.05 0.51 0.07 0.28 0.00 0.00 0.00 179.25 180.06 1pcf h VAL 124 N 0.34 1.24 0.00 0.00 2.07 -0.72 -2.13 116.25 117.05 1pcf h VAL 124 Ca 0.06 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1pcf h VAL 124 Cb 0.60 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1pcf h VAL 124 CO 0.04 0.35 0.00 0.03 0.02 0.00 0.00 177.57 178.01 1pcf h ARG 125 N 0.84 0.00 -0.00 1.57 3.08 -1.14 -2.18 114.38 116.54 1pcf h ARG 125 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1pcf h ARG 125 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1pcf h ARG 125 CO 0.01 0.00 -0.32 1.63 -1.07 0.00 0.00 179.97 180.22 1pcf n LYS 126 N -2.64 0.46 0.00 0.04 5.02 -0.80 -5.13 118.16 115.11 1pcf n LYS 126 Ca 0.01 -0.25 0.04 0.00 -2.02 0.00 0.00 58.31 56.09 1pcf n LYS 126 Cb 0.22 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.77 1pcf n LYS 126 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16