#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 2.28 -0.16 0.00 -1.94 -1.26 -0.66 119.30 117.55 1pcf s MET 63 Ca 0.00 -0.83 -0.01 0.00 -1.71 0.00 0.00 55.69 53.14 1pcf s MET 63 Cb 0.00 -2.20 0.04 0.00 2.01 0.00 0.00 34.83 34.68 1pcf s MET 63 CO 0.00 0.59 -0.04 -0.06 -0.01 0.00 0.00 175.02 175.49 1pcf s PHE 64 N -0.69 1.62 0.18 -0.03 0.08 0.21 -4.95 117.98 114.39 1pcf s PHE 64 Ca 0.11 -1.03 -0.30 0.00 0.12 0.00 0.00 56.93 55.83 1pcf s PHE 64 Cb -0.10 -1.28 -0.08 0.00 -0.57 0.00 0.00 43.02 40.99 1pcf s PHE 64 CO 0.00 -0.60 1.22 -1.14 -0.10 0.00 0.00 175.22 174.59 1pcf s GLN 65 N 1.66 4.47 0.00 0.44 0.74 -1.26 -0.11 119.66 125.60 1pcf s GLN 65 Ca 0.01 1.90 0.00 0.00 0.05 0.00 0.00 55.36 57.32 1pcf s GLN 65 Cb -0.15 -3.24 0.00 0.00 1.10 0.00 0.00 33.01 30.72 1pcf s GLN 65 CO -0.08 -0.12 0.74 0.44 -0.55 0.00 0.00 175.29 175.72 1pcf n ILE 66 N 2.58 0.53 0.00 -2.34 -5.35 0.04 -4.91 119.36 109.91 1pcf n ILE 66 Ca 0.05 -0.68 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 1pcf n ILE 66 Cb 0.44 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 1pcf n ILE 66 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pcf n GLY 67 N -0.27 -0.61 3.72 3.28 0.00 -1.11 -4.95 105.19 105.25 1pcf n GLY 67 Ca 0.00 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1pcf n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pcf s LYS 68 N -2.00 4.17 -1.07 1.61 1.02 -1.26 -2.42 119.74 119.79 1pcf s LYS 68 Ca 0.00 2.49 0.00 0.00 0.02 0.00 0.00 55.97 58.48 1pcf s LYS 68 Cb 0.00 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 1pcf s LYS 68 CO 0.00 -0.67 0.00 -1.33 -0.92 0.00 0.00 175.35 172.43 1pcf n MET 69 N 3.80 -1.18 -3.87 1.68 2.81 -1.26 -4.95 117.12 114.15 1pcf n MET 69 Ca 0.14 0.81 -0.22 0.00 -1.81 0.00 0.00 57.70 56.61 1pcf n MET 69 Cb 0.37 -4.93 -0.17 0.00 -0.71 0.00 0.00 33.22 27.78 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 -2.66 0.73 0.09 0.03 0.52 -1.02 0.28 118.95 116.92 1pcf s ARG 70 Ca 0.00 0.03 0.04 0.00 -0.52 0.00 0.00 55.73 55.28 1pcf s ARG 70 Cb 0.00 -0.99 -0.03 0.00 0.52 0.00 0.00 34.95 34.45 1pcf s ARG 70 CO 0.00 -0.25 -0.11 0.71 0.02 0.00 0.00 175.30 175.67 1pcf s TYR 71 N 1.70 1.08 -0.17 -0.53 1.51 -0.74 -0.78 117.35 119.41 1pcf s TYR 71 Ca 0.01 -0.61 -0.07 0.00 -1.01 0.00 0.00 57.07 55.40 1pcf s TYR 71 Cb -0.13 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1pcf s TYR 71 CO -0.04 0.01 0.05 0.08 -1.11 0.00 0.00 175.55 174.54 1pcf s VAL 72 N -2.18 4.67 -0.11 0.71 1.01 0.85 -1.98 120.40 123.36 1pcf s VAL 72 Ca 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 1pcf s VAL 72 Cb -0.05 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1pcf s VAL 72 CO 0.01 0.47 -0.08 -0.55 0.00 0.00 0.00 175.10 174.95 1pcf s SER 73 N 0.31 4.49 -0.22 3.32 0.15 0.50 -0.62 113.70 121.62 1pcf s SER 73 Ca 0.02 -0.14 -0.00 0.00 0.70 0.00 0.00 55.95 56.53 1pcf s SER 73 Cb -0.13 -1.42 0.02 0.00 -1.71 0.00 0.00 66.02 62.79 1pcf s SER 73 CO 0.01 0.26 -0.12 -0.69 1.20 0.00 0.00 173.24 173.90 1pcf s VAL 74 N -0.19 2.53 0.19 4.45 1.01 0.16 -0.71 120.40 127.84 1pcf s VAL 74 Ca 0.02 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 1pcf s VAL 74 Cb -0.13 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1pcf s VAL 74 CO 0.03 0.32 0.38 0.00 0.00 0.00 0.00 175.10 175.83 1pcf s ARG 75 N 1.30 1.29 -0.29 2.72 1.70 -0.87 -1.05 118.95 123.76 1pcf s ARG 75 Ca 0.01 -1.11 -0.11 0.00 -0.47 0.00 0.00 55.73 54.06 1pcf s ARG 75 Cb -0.15 0.43 -0.05 0.00 -0.57 0.00 0.00 34.95 34.61 1pcf s ARG 75 CO -0.08 -0.51 0.20 0.34 -1.08 0.00 0.00 175.30 174.17 1pcf s ASP 76 N -2.95 6.03 -0.53 -2.89 -1.08 -1.26 -0.94 116.67 113.05 1pcf s ASP 76 Ca 0.16 -0.06 -0.01 0.00 -0.52 0.00 0.00 52.55 52.13 1pcf s ASP 76 Cb 0.01 -2.12 0.14 0.00 -1.46 0.00 0.00 42.92 39.49 1pcf s ASP 76 CO 0.01 -0.07 0.31 0.12 0.52 0.00 0.00 175.17 176.06 1pcf s PHE 77 N 1.76 3.43 -0.86 -5.34 5.36 0.14 -4.69 117.98 117.78 1pcf s PHE 77 Ca 0.07 -2.79 -0.03 0.00 -0.96 0.00 0.00 56.93 53.21 1pcf s PHE 77 Cb -0.16 -3.09 0.00 0.00 -0.34 0.00 0.00 43.02 39.43 1pcf s PHE 77 CO 0.11 -0.86 0.44 1.63 -1.46 0.00 0.00 175.22 175.09 1pcf n LYS 78 N 3.70 -3.30 -0.01 10.12 4.01 -1.26 -2.33 118.16 129.09 1pcf n LYS 78 Ca 0.05 0.51 0.00 0.00 -0.51 0.00 0.00 58.31 58.36 1pcf n LYS 78 Cb 0.38 -4.54 0.00 0.00 -0.51 0.00 0.00 35.03 30.36 1pcf n LYS 78 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1pcf n GLY 79 N -1.24 0.91 3.63 0.72 0.00 -1.26 -5.04 105.19 102.91 1pcf n GLY 79 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.69 2.79 -0.02 1.61 -0.14 -0.98 -5.09 119.74 117.21 1pcf s LYS 80 Ca 0.00 -0.55 -0.25 0.00 -1.36 0.00 0.00 55.97 53.81 1pcf s LYS 80 Cb 0.00 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 1pcf s LYS 80 CO 0.00 0.66 0.75 0.08 -0.76 0.00 0.00 175.35 176.08 1pcf s VAL 81 N -0.92 4.92 -0.05 3.17 1.01 -1.26 0.27 120.40 127.54 1pcf s VAL 81 Ca 0.15 1.57 0.06 0.00 0.00 0.00 0.00 61.98 63.76 1pcf s VAL 81 Cb -0.11 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1pcf s VAL 81 CO 0.04 0.29 -0.23 -0.76 0.00 0.00 0.00 175.10 174.44 1pcf s LEU 82 N 0.50 2.03 -0.38 3.92 1.43 -0.11 -4.31 118.68 121.76 1pcf s LEU 82 Ca 0.39 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1pcf s LEU 82 Cb -0.19 -1.25 0.11 0.00 0.03 0.00 0.00 46.19 44.88 1pcf s LEU 82 CO 0.21 0.23 0.11 -0.63 0.23 0.00 0.00 176.35 176.50 1pcf s ILE 83 N -0.16 2.62 -0.24 -0.59 1.01 0.04 -2.05 121.20 121.83 1pcf s ILE 83 Ca -0.02 -2.34 -0.07 0.00 0.00 0.00 0.00 60.65 58.22 1pcf s ILE 83 Cb -0.13 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1pcf s ILE 83 CO 0.03 -0.64 0.06 -0.62 0.00 0.00 0.00 174.94 173.77 1pcf s ASP 84 N 1.09 5.13 -0.34 3.58 2.15 0.11 -0.02 116.67 128.37 1pcf s ASP 84 Ca 0.11 -0.19 -0.09 0.00 0.43 0.00 0.00 52.55 52.81 1pcf s ASP 84 Cb -0.20 -1.92 0.02 0.00 -0.30 0.00 0.00 42.92 40.52 1pcf s ASP 84 CO -0.06 -0.02 0.14 -0.63 -0.17 0.00 0.00 175.17 174.43 1pcf s ILE 85 N 1.50 4.23 0.08 4.11 1.01 0.20 -0.37 121.20 131.95 1pcf s ILE 85 Ca 0.06 -0.84 -0.18 0.00 0.00 0.00 0.00 60.65 59.69 1pcf s ILE 85 Cb -0.15 -3.31 0.04 0.00 0.01 0.00 0.00 42.46 39.05 1pcf s ILE 85 CO 0.03 -0.11 0.42 -0.60 0.00 0.00 0.00 174.94 174.68 1pcf s ARG 86 N 1.51 1.00 0.32 2.79 3.52 -0.84 -1.36 118.95 125.89 1pcf s ARG 86 Ca 0.01 -0.50 -0.22 0.00 -0.13 0.00 0.00 55.73 54.89 1pcf s ARG 86 Cb -0.19 0.44 -0.10 0.00 -1.56 0.00 0.00 34.95 33.55 1pcf s ARG 86 CO 0.05 -0.37 0.87 -1.21 -0.81 0.00 0.00 175.30 173.83 1pcf s GLU 87 N -3.05 4.37 0.07 5.12 2.02 -0.40 -1.79 118.70 125.04 1pcf s GLU 87 Ca -0.02 1.11 0.07 0.00 0.02 0.00 0.00 54.97 56.15 1pcf s GLU 87 Cb 0.00 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 1pcf s GLU 87 CO -0.07 0.24 -0.20 0.71 0.02 0.00 0.00 175.26 175.97 1pcf s TYR 88 N -1.74 1.69 0.32 1.61 1.51 0.14 -0.34 117.35 120.55 1pcf s TYR 88 Ca 0.51 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 56.23 1pcf s TYR 88 Cb -0.15 -0.96 -0.01 0.00 -0.11 0.00 0.00 41.96 40.72 1pcf s TYR 88 CO 0.20 0.14 0.43 -1.58 -1.11 0.00 0.00 175.55 173.64 1pcf s TRP 89 N -1.02 3.12 -0.15 2.71 0.52 0.36 -4.82 118.94 119.65 1pcf s TRP 89 Ca 0.06 -0.21 -0.01 0.00 0.02 0.00 0.00 56.10 55.96 1pcf s TRP 89 Cb -0.09 -1.92 -0.01 0.00 -1.15 0.00 0.00 33.47 30.29 1pcf s TRP 89 CO 0.03 0.07 -0.11 1.41 0.02 0.00 0.00 176.95 178.37 1pcf s MET 90 N -4.13 3.41 0.80 4.98 1.75 -1.26 -0.30 119.30 124.56 1pcf s MET 90 Ca 0.43 -0.66 -0.07 0.00 -1.25 0.00 0.00 55.69 54.14 1pcf s MET 90 Cb -0.09 -2.73 0.14 0.00 2.84 0.00 0.00 34.83 34.99 1pcf s MET 90 CO 0.30 0.13 1.12 0.16 -0.65 0.00 0.00 175.02 176.08 1pcf s ASP 91 N 0.58 3.97 0.14 1.11 1.47 -0.08 -4.93 116.67 118.93 1pcf s ASP 91 Ca -0.07 -0.01 0.18 0.00 1.18 0.00 0.00 52.55 53.83 1pcf s ASP 91 Cb -0.15 -0.29 0.77 0.00 -0.34 0.00 0.00 42.92 42.90 1pcf s ASP 91 CO 0.03 -2.14 1.55 -2.65 0.68 0.00 0.00 175.17 172.64 1pcf n PRO 92 N -3.18 0.09 -0.22 2.11 -0.02 -1.26 -1.47 135.00 131.05 1pcf n PRO 92 Ca 0.14 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 62.11 1pcf n PRO 92 Cb 0.60 -1.70 0.27 0.00 -0.02 0.00 0.00 33.50 32.65 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 -1.88 2.32 -0.85 -0.52 -0.58 -1.26 -4.93 120.64 112.95 1pcf n GLU 93 Ca 0.02 -2.02 0.00 0.00 -0.42 0.00 0.00 57.16 54.74 1pcf n GLU 93 Cb 0.17 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1pcf n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pcf n GLY 94 N 1.42 0.63 3.84 0.62 0.00 -0.54 -5.04 105.19 106.12 1pcf n GLY 94 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.15 3.95 -0.10 1.61 2.02 -1.26 -4.77 118.70 120.00 1pcf s GLU 95 Ca 0.00 0.44 -0.30 0.00 0.02 0.00 0.00 54.97 55.14 1pcf s GLU 95 Cb 0.00 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 1pcf s GLU 95 CO 0.00 0.54 1.08 -1.64 0.02 0.00 0.00 175.26 175.26 1pcf s MET 96 N -1.74 4.38 -0.03 1.61 -1.94 -1.26 -0.90 119.30 119.43 1pcf s MET 96 Ca 0.34 1.49 0.07 0.00 -1.71 0.00 0.00 55.69 55.88 1pcf s MET 96 Cb -0.15 -3.56 -0.02 0.00 2.01 0.00 0.00 34.83 33.11 1pcf s MET 96 CO 0.18 -0.39 -0.24 0.15 -0.01 0.00 0.00 175.02 174.71 1pcf s LYS 97 N 2.19 2.27 0.20 2.03 -0.14 0.59 -4.96 119.74 121.93 1pcf s LYS 97 Ca 0.51 -0.89 -0.30 0.00 -1.36 0.00 0.00 55.97 53.92 1pcf s LYS 97 Cb -0.20 -2.12 -0.09 0.00 -1.68 0.00 0.00 37.83 33.74 1pcf s LYS 97 CO 0.18 0.53 1.39 -1.25 -0.76 0.00 0.00 175.35 175.44 1pcf s PRO 98 N -0.52 4.32 0.87 -1.68 0.04 -1.26 -0.49 135.00 136.28 1pcf s PRO 98 Ca 0.07 2.17 -0.09 0.00 0.04 0.00 0.00 61.00 63.19 1pcf s PRO 98 Cb -0.11 -3.17 0.18 0.00 0.04 0.00 0.00 34.50 31.44 1pcf s PRO 98 CO 0.00 -0.37 1.19 0.20 0.04 0.00 0.00 177.00 178.06 1pcf s GLY 99 N 0.54 1.78 0.40 0.56 0.00 0.54 -4.82 107.32 106.32 1pcf s GLY 99 Ca 0.60 -1.49 0.24 0.00 0.00 0.00 0.00 44.72 44.07 1pcf s GLY 99 CO 0.38 -0.78 1.64 3.21 0.00 0.00 0.00 173.10 177.55 1pcf h ARG 100 N -1.20 0.00 -5.16 2.90 3.08 -1.96 -3.42 114.38 108.62 1pcf h ARG 100 Ca -0.40 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 58.98 1pcf h ARG 100 Cb 1.24 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.13 1pcf h ARG 100 CO 0.37 0.00 0.70 0.15 -1.07 0.00 0.00 179.97 180.11 1pcf s LYS 101 N -3.19 3.39 0.12 0.04 1.02 -1.26 -4.90 119.74 114.96 1pcf s LYS 101 Ca 0.08 -1.40 -0.24 0.00 0.02 0.00 0.00 55.97 54.42 1pcf s LYS 101 Cb 0.06 -4.64 0.08 0.00 -0.52 0.00 0.00 37.83 32.81 1pcf s LYS 101 CO 0.66 -1.78 1.12 0.20 -0.92 0.00 0.00 175.35 174.62 1pcf s GLY 102 N 3.67 0.02 -0.15 -3.33 0.00 -1.26 -1.28 107.32 105.00 1pcf s GLY 102 Ca 0.28 -0.19 -0.13 0.00 0.00 0.00 0.00 44.72 44.67 1pcf s GLY 102 CO -0.02 3.24 0.40 -1.50 0.00 0.00 0.00 173.10 175.23 1pcf s ILE 103 N -2.15 -0.00 -0.29 0.90 2.07 -0.46 -4.99 121.20 116.27 1pcf s ILE 103 Ca 0.24 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.38 1pcf s ILE 103 Cb -0.02 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 41.96 1pcf s ILE 103 CO 0.03 0.01 0.19 -0.44 -1.91 0.00 0.00 174.94 172.82 1pcf s SER 104 N 0.37 5.93 0.02 4.50 0.01 -1.26 -0.63 113.70 122.64 1pcf s SER 104 Ca -0.01 -0.14 -0.04 0.00 1.31 0.00 0.00 55.95 57.07 1pcf s SER 104 Cb -0.04 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 1pcf s SER 104 CO -0.01 -0.10 0.24 -0.76 0.41 0.00 0.00 173.24 173.02 1pcf s LEU 105 N 1.73 4.36 0.69 2.44 1.43 0.97 -4.86 118.68 125.45 1pcf s LEU 105 Ca 0.07 0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 53.57 1pcf s LEU 105 Cb -0.16 -2.75 0.09 0.00 0.03 0.00 0.00 46.19 43.40 1pcf s LEU 105 CO 0.10 0.22 0.97 0.54 0.23 0.00 0.00 176.35 178.42 1pcf s ASN 106 N -1.99 4.59 0.47 2.29 2.20 -1.26 -0.78 114.94 120.47 1pcf s ASN 106 Ca 0.30 -0.02 0.13 0.00 -0.94 0.00 0.00 52.86 52.34 1pcf s ASN 106 Cb -0.13 -0.53 1.10 0.00 -2.00 0.00 0.00 41.25 39.69 1pcf s ASN 106 CO 0.20 -1.69 2.08 -0.65 -2.94 0.00 0.00 177.10 174.10 1pcf h PRO 107 N -0.49 0.13 -0.20 3.55 0.11 -1.98 -1.24 132.00 131.88 1pcf h PRO 107 Ca -0.41 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.50 1pcf h PRO 107 Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1pcf h PRO 107 CO 0.48 0.14 -0.66 1.49 -0.21 0.00 0.00 178.00 179.24 1pcf h GLU 108 N 0.13 0.73 -0.51 1.05 4.57 -1.96 0.44 114.58 119.03 1pcf h GLU 108 Ca 0.03 -0.53 -0.11 0.00 -1.18 0.00 0.00 59.36 57.58 1pcf h GLU 108 Cb 0.08 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1pcf h GLU 108 CO 0.00 1.15 -0.09 1.96 -1.18 0.00 0.00 179.01 180.85 1pcf h GLN 109 N 0.53 0.97 -0.37 1.92 4.20 -1.84 -0.72 115.11 119.81 1pcf h GLN 109 Ca -0.02 -0.35 -0.04 0.00 0.06 0.00 0.00 58.65 58.30 1pcf h GLN 109 Cb 1.26 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 1pcf h GLN 109 CO 0.13 1.02 0.06 2.35 -0.67 0.00 0.00 178.83 181.73 1pcf h TRP 110 N 0.83 0.56 -0.47 2.96 2.91 -1.12 -1.09 115.95 120.53 1pcf h TRP 110 Ca 0.13 -0.04 -0.04 0.00 1.13 0.00 0.00 58.89 60.07 1pcf h TRP 110 Cb 0.65 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 29.11 1pcf h TRP 110 CO 0.05 0.50 0.12 1.03 -1.03 0.00 0.00 178.44 179.11 1pcf h SER 111 N 0.53 0.70 -0.69 2.65 0.87 -0.50 -0.51 113.55 116.61 1pcf h SER 111 Ca 0.12 -0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1pcf h SER 111 Cb 0.25 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 1pcf h SER 111 CO 0.00 0.74 0.42 1.56 -0.53 0.00 0.00 176.83 179.03 1pcf h GLN 112 N 0.63 0.94 -0.10 2.24 1.08 -0.57 0.41 115.11 119.74 1pcf h GLN 112 Ca 0.15 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1pcf h GLN 112 Cb 0.31 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1pcf h GLN 112 CO 0.00 0.66 0.00 1.25 -0.95 0.00 0.00 178.83 179.79 1pcf h LEU 113 N 0.96 0.18 -0.93 1.46 5.85 -0.92 -3.02 115.31 118.88 1pcf h LEU 113 Ca 0.25 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1pcf h LEU 113 Cb -0.05 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1pcf h LEU 113 CO -0.05 0.44 0.43 0.11 -0.34 0.00 0.00 178.44 179.03 1pcf h LYS 114 N -0.09 1.20 0.00 1.25 1.57 -0.56 -1.82 116.57 118.11 1pcf h LYS 114 Ca 0.03 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1pcf h LYS 114 Cb 0.34 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1pcf h LYS 114 CO 0.00 0.90 -0.01 0.93 -0.57 0.00 0.00 179.45 180.70 1pcf h GLU 115 N 1.19 0.00 -0.43 3.15 5.08 -0.89 -2.32 114.58 120.36 1pcf h GLU 115 Ca 0.29 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1pcf h GLU 115 Cb 0.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1pcf h GLU 115 CO -0.04 0.01 0.05 1.04 -1.00 0.00 0.00 179.01 179.07 1pcf n GLN 116 N -4.05 3.27 -0.27 2.33 6.02 -0.70 -4.64 117.38 119.35 1pcf n GLN 116 Ca -0.03 -3.00 -0.06 0.00 -0.01 0.00 0.00 57.00 53.90 1pcf n GLN 116 Cb 0.10 -1.99 0.06 0.00 1.02 0.00 0.00 30.24 29.42 1pcf n GLN 116 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1pcf h ILE 117 N 2.23 1.25 -0.73 5.09 2.04 -1.29 -0.29 117.51 125.81 1pcf h ILE 117 Ca 0.09 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1pcf h ILE 117 Cb 1.76 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 1pcf h ILE 117 CO 0.41 0.33 0.47 -1.28 0.00 0.00 0.00 178.15 178.07 1pcf h SER 118 N 1.08 0.86 -0.58 1.72 0.87 -1.84 0.25 113.55 115.91 1pcf h SER 118 Ca 0.25 -0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 1pcf h SER 118 Cb 0.22 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1pcf h SER 118 CO -0.02 0.65 0.04 0.44 -0.53 0.00 0.00 176.83 177.41 1pcf h ASP 119 N 1.00 0.99 -0.54 6.23 3.32 -1.66 -0.50 116.42 125.26 1pcf h ASP 119 Ca 0.27 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1pcf h ASP 119 Cb -0.08 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 1pcf h ASP 119 CO -0.05 1.02 -0.08 0.40 -1.72 0.00 0.00 179.24 178.81 1pcf h ILE 120 N 0.95 1.27 -0.65 0.35 2.04 -0.81 -1.91 117.51 118.75 1pcf h ILE 120 Ca 0.18 -1.23 -0.09 0.00 1.00 0.00 0.00 64.86 64.72 1pcf h ILE 120 Cb 0.50 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1pcf h ILE 120 CO 0.02 0.44 0.06 0.44 0.00 0.00 0.00 178.15 179.10 1pcf h ASP 121 N 0.91 1.07 -0.51 1.72 3.32 -0.82 -0.34 116.42 121.78 1pcf h ASP 121 Ca 0.15 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1pcf h ASP 121 Cb 0.64 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1pcf h ASP 121 CO 0.04 1.09 0.29 -0.78 -1.72 0.00 0.00 179.24 178.17 1pcf h ASP 122 N 1.02 0.63 -0.49 6.45 3.58 -0.92 -1.07 116.42 125.62 1pcf h ASP 122 Ca 0.19 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.50 1pcf h ASP 122 Cb 0.51 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 1pcf h ASP 122 CO 0.02 0.52 0.07 0.00 -2.88 0.00 0.00 179.24 176.97 1pcf h ALA 123 N 1.13 1.10 -0.35 -0.78 0.00 -0.58 -2.10 119.26 117.68 1pcf h ALA 123 Ca 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1pcf h ALA 123 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1pcf h ALA 123 CO -0.03 0.59 0.18 0.28 0.00 0.00 0.00 179.25 180.27 1pcf h VAL 124 N 0.83 1.15 0.00 0.00 2.07 -0.84 -2.78 116.25 116.69 1pcf h VAL 124 Ca 0.17 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1pcf h VAL 124 Cb 0.39 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1pcf h VAL 124 CO 0.01 0.15 -0.17 -0.09 0.02 0.00 0.00 177.57 177.49 1pcf h ARG 125 N 0.43 0.00 0.00 1.57 2.43 -0.83 -2.69 114.38 115.29 1pcf h ARG 125 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1pcf h ARG 125 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1pcf h ARG 125 CO -0.02 0.17 0.00 0.87 -1.51 0.00 0.00 179.97 179.48 1pcf h LYS 126 N 0.00 0.00 0.00 0.20 1.57 -1.10 -3.51 116.57 113.72 1pcf h LYS 126 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pcf h LYS 126 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1pcf h LYS 126 CO 0.02 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.18