#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 1.91 -0.13 0.00 1.00 -1.26 -0.77 119.30 120.05 1pcf s MET 63 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 55.69 54.95 1pcf s MET 63 Cb 0.00 -1.73 0.02 0.00 0.00 0.00 0.00 34.83 33.12 1pcf s MET 63 CO 0.00 0.37 -0.12 -0.06 0.00 0.00 0.00 175.02 175.21 1pcf s PHE 64 N -0.25 1.87 -0.03 -0.03 0.08 0.58 -4.98 117.98 115.22 1pcf s PHE 64 Ca 0.02 -1.00 -0.28 0.00 0.12 0.00 0.00 56.93 55.79 1pcf s PHE 64 Cb -0.10 -1.43 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1pcf s PHE 64 CO 0.01 -0.59 0.92 -1.14 -0.10 0.00 0.00 175.22 174.33 1pcf s GLN 65 N 1.51 4.51 0.00 0.44 0.74 -1.26 -0.63 119.66 124.98 1pcf s GLN 65 Ca 0.04 1.30 0.01 0.00 0.05 0.00 0.00 55.36 56.75 1pcf s GLN 65 Cb -0.13 -3.47 0.01 0.00 1.10 0.00 0.00 33.01 30.52 1pcf s GLN 65 CO -0.09 -0.07 0.63 0.44 -0.55 0.00 0.00 175.29 175.65 1pcf n ILE 66 N 3.98 0.18 -3.86 -2.34 -5.35 0.36 -4.93 119.36 107.40 1pcf n ILE 66 Ca 0.05 -0.59 -0.00 0.00 -0.27 0.00 0.00 62.75 61.93 1pcf n ILE 66 Cb 0.51 0.93 0.01 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.26 -0.09 0.16 3.28 0.00 -1.00 -4.96 107.32 104.46 1pcf s GLY 67 Ca 0.02 0.01 -0.32 0.00 0.00 0.00 0.00 44.72 44.43 1pcf s GLY 67 CO 0.02 2.95 1.60 1.25 0.00 0.00 0.00 173.10 178.92 1pcf s LYS 68 N -2.26 4.20 -0.93 2.90 2.20 -1.26 -1.61 119.74 122.98 1pcf s LYS 68 Ca 0.22 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 58.23 1pcf s LYS 68 Cb -0.00 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1pcf s LYS 68 CO 0.01 -0.64 0.00 -1.33 -0.36 0.00 0.00 175.35 173.04 1pcf n MET 69 N 4.09 -1.17 -4.00 4.03 2.81 -1.26 -4.97 117.12 116.65 1pcf n MET 69 Ca 0.14 0.75 -0.22 0.00 -1.81 0.00 0.00 57.70 56.56 1pcf n MET 69 Cb 0.38 -4.84 -0.17 0.00 -0.71 0.00 0.00 33.22 27.88 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 -2.51 0.83 0.04 0.03 0.52 -0.63 0.02 118.95 117.25 1pcf s ARG 70 Ca 0.00 -0.05 0.03 0.00 -0.52 0.00 0.00 55.73 55.20 1pcf s ARG 70 Cb 0.00 -0.97 -0.02 0.00 0.52 0.00 0.00 34.95 34.48 1pcf s ARG 70 CO 0.00 -0.18 -0.10 0.71 0.02 0.00 0.00 175.30 175.75 1pcf s TYR 71 N 1.38 0.87 -0.24 -0.53 1.51 -0.81 -0.49 117.35 119.05 1pcf s TYR 71 Ca -0.04 -0.37 -0.14 0.00 -1.01 0.00 0.00 57.07 55.51 1pcf s TYR 71 Cb -0.13 -0.52 -0.04 0.00 -0.11 0.00 0.00 41.96 41.16 1pcf s TYR 71 CO -0.03 -0.02 0.34 0.08 -1.11 0.00 0.00 175.55 174.81 1pcf s VAL 72 N -0.96 5.22 -0.15 0.71 1.01 0.20 -1.59 120.40 124.85 1pcf s VAL 72 Ca -0.03 0.54 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 1pcf s VAL 72 Cb -0.08 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1pcf s VAL 72 CO 0.01 0.23 0.03 -0.55 0.00 0.00 0.00 175.10 174.82 1pcf s SER 73 N 1.30 5.42 -0.16 3.32 0.15 0.27 -0.31 113.70 123.69 1pcf s SER 73 Ca 0.15 0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.90 1pcf s SER 73 Cb -0.15 -1.80 0.01 0.00 -1.71 0.00 0.00 66.02 62.37 1pcf s SER 73 CO 0.08 0.25 -0.19 -0.69 1.20 0.00 0.00 173.24 173.89 1pcf s VAL 74 N -0.09 2.21 0.18 4.45 1.01 0.05 -0.21 120.40 128.00 1pcf s VAL 74 Ca 0.05 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 1pcf s VAL 74 Cb -0.12 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1pcf s VAL 74 CO 0.02 0.53 0.47 0.00 0.00 0.00 0.00 175.10 176.12 1pcf s ARG 75 N 1.06 1.30 -0.22 2.72 1.70 -0.95 -1.15 118.95 123.41 1pcf s ARG 75 Ca -0.01 -0.87 -0.15 0.00 -0.47 0.00 0.00 55.73 54.23 1pcf s ARG 75 Cb -0.14 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 1pcf s ARG 75 CO -0.07 -0.54 0.35 0.34 -1.08 0.00 0.00 175.30 174.31 1pcf s ASP 76 N -2.87 6.35 -0.35 -2.89 -1.08 -1.26 -1.39 116.67 113.18 1pcf s ASP 76 Ca 0.09 0.41 0.03 0.00 -0.52 0.00 0.00 52.55 52.56 1pcf s ASP 76 Cb 0.00 -2.21 0.10 0.00 -1.46 0.00 0.00 42.92 39.36 1pcf s ASP 76 CO -0.04 -0.07 0.08 0.12 0.52 0.00 0.00 175.17 175.77 1pcf s PHE 77 N 1.40 3.41 -1.07 -5.34 2.19 0.95 -4.76 117.98 114.76 1pcf s PHE 77 Ca 0.16 -2.84 -0.06 0.00 0.33 0.00 0.00 56.93 54.53 1pcf s PHE 77 Cb -0.15 -2.74 0.01 0.00 -1.31 0.00 0.00 43.02 38.83 1pcf s PHE 77 CO 0.08 -0.92 0.77 1.63 1.83 0.00 0.00 175.22 178.61 1pcf n LYS 78 N 4.23 -5.36 -0.26 10.12 5.02 -1.26 -2.21 118.16 128.43 1pcf n LYS 78 Ca 0.03 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1pcf n LYS 78 Cb 0.41 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.35 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 -1.56 1.60 3.55 0.72 0.00 -1.26 -5.02 105.19 103.22 1pcf n GLY 79 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.31 2.69 -0.09 1.61 1.02 -0.94 -5.09 119.74 118.63 1pcf s LYS 80 Ca 0.00 -0.59 -0.20 0.00 0.02 0.00 0.00 55.97 55.20 1pcf s LYS 80 Cb 0.00 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 1pcf s LYS 80 CO 0.00 0.65 0.55 0.08 -0.92 0.00 0.00 175.35 175.71 1pcf s VAL 81 N -0.78 5.12 -0.03 3.17 1.01 -1.26 -0.04 120.40 127.59 1pcf s VAL 81 Ca 0.12 1.13 0.06 0.00 0.00 0.00 0.00 61.98 63.28 1pcf s VAL 81 Cb -0.11 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1pcf s VAL 81 CO 0.01 0.32 -0.21 -0.76 0.00 0.00 0.00 175.10 174.46 1pcf s LEU 82 N 0.58 2.01 -0.38 3.92 1.43 -0.48 -4.21 118.68 121.53 1pcf s LEU 82 Ca 0.30 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1pcf s LEU 82 Cb -0.16 -1.11 0.09 0.00 0.03 0.00 0.00 46.19 45.03 1pcf s LEU 82 CO 0.13 0.22 0.16 -0.63 0.23 0.00 0.00 176.35 176.47 1pcf s ILE 83 N -0.27 3.39 -0.18 -0.59 1.09 0.33 -2.23 121.20 122.75 1pcf s ILE 83 Ca 0.02 -1.76 -0.05 0.00 -1.10 0.00 0.00 60.65 57.76 1pcf s ILE 83 Cb -0.10 -3.18 -0.03 0.00 -1.06 0.00 0.00 42.46 38.08 1pcf s ILE 83 CO 0.01 -0.51 0.01 -0.62 -0.10 0.00 0.00 174.94 173.73 1pcf s ASP 84 N 1.73 5.10 -0.27 3.58 -1.08 0.71 -0.73 116.67 125.70 1pcf s ASP 84 Ca 0.04 -0.08 -0.04 0.00 -0.52 0.00 0.00 52.55 51.95 1pcf s ASP 84 Cb -0.22 -1.86 0.02 0.00 -1.46 0.00 0.00 42.92 39.40 1pcf s ASP 84 CO -0.02 0.14 0.01 -0.63 0.52 0.00 0.00 175.17 175.18 1pcf s ILE 85 N 0.56 3.40 0.11 4.11 1.01 -0.27 -0.56 121.20 129.55 1pcf s ILE 85 Ca -0.00 -0.88 -0.21 0.00 0.00 0.00 0.00 60.65 59.56 1pcf s ILE 85 Cb -0.14 -2.75 0.05 0.00 0.01 0.00 0.00 42.46 39.64 1pcf s ILE 85 CO 0.02 0.13 0.52 -0.60 0.00 0.00 0.00 174.94 175.01 1pcf s ARG 86 N 1.40 1.13 0.24 2.79 3.52 -0.62 -1.17 118.95 126.25 1pcf s ARG 86 Ca 0.01 -0.44 -0.19 0.00 -0.13 0.00 0.00 55.73 54.98 1pcf s ARG 86 Cb -0.17 0.51 -0.08 0.00 -1.56 0.00 0.00 34.95 33.65 1pcf s ARG 86 CO -0.01 -0.45 0.73 -1.21 -0.81 0.00 0.00 175.30 173.55 1pcf s GLU 87 N -3.27 4.22 0.19 5.12 2.02 -0.54 -1.92 118.70 124.53 1pcf s GLU 87 Ca -0.01 0.85 0.08 0.00 0.02 0.00 0.00 54.97 55.91 1pcf s GLU 87 Cb 0.00 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 1pcf s GLU 87 CO -0.08 0.36 -0.16 0.71 0.02 0.00 0.00 175.26 176.11 1pcf s TYR 88 N -1.59 1.78 0.30 1.61 1.51 0.10 -0.16 117.35 120.90 1pcf s TYR 88 Ca 0.45 -0.52 0.08 0.00 -1.01 0.00 0.00 57.07 56.07 1pcf s TYR 88 Cb -0.16 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.81 1pcf s TYR 88 CO 0.20 0.37 0.12 -1.58 -1.11 0.00 0.00 175.55 173.55 1pcf s TRP 89 N -2.58 2.80 -0.17 2.71 0.52 0.09 -4.81 118.94 117.50 1pcf s TRP 89 Ca 0.20 -0.27 -0.02 0.00 0.02 0.00 0.00 56.10 56.03 1pcf s TRP 89 Cb -0.03 -1.46 -0.01 0.00 -1.15 0.00 0.00 33.47 30.82 1pcf s TRP 89 CO 0.07 0.46 -0.09 1.41 0.02 0.00 0.00 176.95 178.82 1pcf s MET 90 N -3.80 3.40 0.88 4.98 1.75 -1.26 -0.27 119.30 124.98 1pcf s MET 90 Ca 0.35 -0.65 -0.13 0.00 -1.25 0.00 0.00 55.69 54.01 1pcf s MET 90 Cb -0.05 -2.80 0.15 0.00 2.84 0.00 0.00 34.83 34.97 1pcf s MET 90 CO 0.22 0.05 1.24 0.16 -0.65 0.00 0.00 175.02 176.04 1pcf s ASP 91 N 0.80 3.74 0.47 1.11 1.47 0.05 -4.90 116.67 119.41 1pcf s ASP 91 Ca -0.03 0.40 0.32 0.00 1.18 0.00 0.00 52.55 54.41 1pcf s ASP 91 Cb -0.15 -0.64 1.57 0.00 -0.34 0.00 0.00 42.92 43.36 1pcf s ASP 91 CO 0.01 -2.34 1.97 -0.65 0.68 0.00 0.00 175.17 174.84 1pcf h PRO 92 N -1.32 0.00 -0.37 2.11 0.11 -2.00 -0.44 132.00 130.10 1pcf h PRO 92 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1pcf h PRO 92 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1pcf h PRO 92 CO 0.48 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.66 1pcf n GLU 93 N -2.72 1.94 -0.69 1.05 -0.58 -1.26 -4.93 120.64 113.45 1pcf n GLU 93 Ca -0.01 -1.46 0.00 0.00 -0.42 0.00 0.00 57.16 55.28 1pcf n GLU 93 Cb 0.16 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 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 1.17 0.71 3.83 0.62 0.00 -0.17 -5.04 105.19 106.31 1pcf n GLY 94 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.31 4.04 -0.06 1.61 2.02 -1.26 -4.81 118.70 119.94 1pcf s GLU 95 Ca 0.00 0.56 -0.27 0.00 0.02 0.00 0.00 54.97 55.27 1pcf s GLU 95 Cb 0.00 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 1pcf s GLU 95 CO 0.00 0.62 0.87 -1.64 0.02 0.00 0.00 175.26 175.13 1pcf s MET 96 N -1.33 4.46 -0.03 1.61 -1.94 -1.26 -0.77 119.30 120.03 1pcf s MET 96 Ca 0.30 1.18 0.07 0.00 -1.71 0.00 0.00 55.69 55.52 1pcf s MET 96 Cb -0.17 -3.48 -0.01 0.00 2.01 0.00 0.00 34.83 33.17 1pcf s MET 96 CO 0.17 -0.09 -0.23 0.15 -0.01 0.00 0.00 175.02 175.01 1pcf s LYS 97 N 1.25 2.06 0.28 2.03 -0.14 0.63 -4.95 119.74 120.90 1pcf s LYS 97 Ca 0.45 -0.83 -0.29 0.00 -1.36 0.00 0.00 55.97 53.93 1pcf s LYS 97 Cb -0.19 -1.89 -0.10 0.00 -1.68 0.00 0.00 37.83 33.97 1pcf s LYS 97 CO 0.21 0.44 1.35 -1.25 -0.76 0.00 0.00 175.35 175.34 1pcf s PRO 98 N -0.38 4.34 0.76 -1.68 0.04 -1.26 -0.73 135.00 136.08 1pcf s PRO 98 Ca 0.04 2.21 -0.03 0.00 0.04 0.00 0.00 61.00 63.27 1pcf s PRO 98 Cb -0.11 -3.10 0.14 0.00 0.04 0.00 0.00 34.50 31.47 1pcf s PRO 98 CO 0.01 -0.27 1.04 0.20 0.04 0.00 0.00 177.00 178.02 1pcf s GLY 99 N -0.09 1.76 0.30 0.56 0.00 0.78 -4.82 107.32 105.81 1pcf s GLY 99 Ca 0.53 -1.67 0.15 0.00 0.00 0.00 0.00 44.72 43.73 1pcf s GLY 99 CO 0.47 -1.07 1.59 3.21 0.00 0.00 0.00 173.10 177.30 1pcf h ARG 100 N -0.69 0.00 -5.67 2.90 3.08 -1.96 -3.41 114.38 108.62 1pcf h ARG 100 Ca -0.37 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.05 1pcf h ARG 100 Cb 1.26 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.18 1pcf h ARG 100 CO 0.40 0.54 1.10 0.15 -1.07 0.00 0.00 179.97 181.09 1pcf s LYS 101 N -3.36 3.49 0.19 0.04 1.02 -1.26 -4.92 119.74 114.94 1pcf s LYS 101 Ca 0.01 -1.22 -0.23 0.00 0.02 0.00 0.00 55.97 54.55 1pcf s LYS 101 Cb 0.11 -4.94 0.07 0.00 -0.52 0.00 0.00 37.83 32.55 1pcf s LYS 101 CO 0.73 -2.00 1.00 0.20 -0.92 0.00 0.00 175.35 174.36 1pcf s GLY 102 N 4.22 0.01 -0.01 -3.33 0.00 -1.26 -1.46 107.32 105.48 1pcf s GLY 102 Ca 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1pcf s GLY 102 CO -0.05 1.35 -0.00 -1.50 0.00 0.00 0.00 173.10 172.90 1pcf s ILE 103 N -2.56 0.09 -0.35 0.90 2.07 -0.31 -4.98 121.20 116.06 1pcf s ILE 103 Ca 0.18 0.02 -0.14 0.00 -1.41 0.00 0.00 60.65 59.29 1pcf s ILE 103 Cb -0.02 -0.13 -0.01 0.00 0.13 0.00 0.00 42.46 42.43 1pcf s ILE 103 CO 0.05 0.06 0.32 -0.44 -1.91 0.00 0.00 174.94 173.02 1pcf s SER 104 N 0.36 6.13 0.02 4.50 0.01 -1.26 -1.11 113.70 122.35 1pcf s SER 104 Ca -0.03 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1pcf s SER 104 Cb -0.05 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 1pcf s SER 104 CO -0.01 -0.32 0.10 -0.76 0.41 0.00 0.00 173.24 172.65 1pcf s LEU 105 N 1.89 3.94 0.70 2.44 1.43 0.09 -4.94 118.68 124.24 1pcf s LEU 105 Ca 0.09 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.29 1pcf s LEU 105 Cb -0.17 -2.40 0.09 0.00 0.03 0.00 0.00 46.19 43.74 1pcf s LEU 105 CO 0.11 0.24 0.98 0.54 0.23 0.00 0.00 176.35 178.46 1pcf s ASN 106 N -1.96 4.59 0.40 2.29 2.20 -1.26 -0.51 114.94 120.69 1pcf s ASN 106 Ca 0.26 0.06 0.08 0.00 -0.94 0.00 0.00 52.86 52.32 1pcf s ASN 106 Cb -0.12 -0.62 0.82 0.00 -2.00 0.00 0.00 41.25 39.34 1pcf s ASN 106 CO 0.17 -1.70 1.99 -0.65 -2.94 0.00 0.00 177.10 173.97 1pcf h PRO 107 N -0.53 0.39 -0.37 3.55 0.11 -1.98 -0.58 132.00 132.60 1pcf h PRO 107 Ca -0.41 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1pcf h PRO 107 Cb 1.29 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1pcf h PRO 107 CO 0.50 0.37 -0.30 1.49 -0.21 0.00 0.00 178.00 179.84 1pcf h GLU 108 N 0.39 0.80 -0.40 1.05 4.81 -1.96 -0.14 114.58 119.14 1pcf h GLU 108 Ca 0.10 -0.37 -0.14 0.00 -0.13 0.00 0.00 59.36 58.82 1pcf h GLU 108 Cb 0.16 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1pcf h GLU 108 CO -0.00 0.99 -0.30 1.96 -0.73 0.00 0.00 179.01 180.93 1pcf h GLN 109 N 0.68 0.91 -0.29 1.92 4.20 -1.76 -0.71 115.11 120.06 1pcf h GLN 109 Ca 0.08 -0.44 -0.06 0.00 0.06 0.00 0.00 58.65 58.28 1pcf h GLN 109 Cb 0.84 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 1pcf h GLN 109 CO 0.07 1.10 -0.09 2.35 -0.67 0.00 0.00 178.83 181.59 1pcf h TRP 110 N 0.73 0.50 -0.21 2.96 -0.00 -1.04 -0.62 115.95 118.27 1pcf h TRP 110 Ca 0.08 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.89 58.89 1pcf h TRP 110 Cb 0.89 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 29.90 1pcf h TRP 110 CO 0.06 0.56 0.10 1.03 -0.00 0.00 0.00 178.44 180.18 1pcf h SER 111 N 0.44 0.28 -0.71 2.65 0.87 -0.55 -1.43 113.55 115.09 1pcf h SER 111 Ca 0.09 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.45 1pcf h SER 111 Cb 0.43 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1pcf h SER 111 CO 0.02 0.33 0.18 1.56 -0.53 0.00 0.00 176.83 178.40 1pcf h GLN 112 N 0.20 1.14 -0.49 2.24 4.20 -0.86 0.15 115.11 121.69 1pcf h GLN 112 Ca 0.07 -0.27 0.07 0.00 0.06 0.00 0.00 58.65 58.58 1pcf h GLN 112 Cb 0.13 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 27.70 1pcf h GLN 112 CO -0.01 0.99 0.17 1.25 -0.67 0.00 0.00 178.83 180.56 1pcf h LEU 113 N 1.08 0.15 -1.04 1.46 5.85 -0.79 -0.41 115.31 121.61 1pcf h LEU 113 Ca 0.23 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 1pcf h LEU 113 Cb 0.36 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1pcf h LEU 113 CO 0.00 0.12 -0.01 0.11 -0.34 0.00 0.00 178.44 178.31 1pcf h LYS 114 N 0.34 0.67 0.00 1.25 1.57 -0.89 -2.08 116.57 117.42 1pcf h LYS 114 Ca 0.24 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1pcf h LYS 114 Cb 0.26 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1pcf h LYS 114 CO -0.25 0.69 -0.23 0.93 -0.57 0.00 0.00 179.45 180.02 1pcf h GLU 115 N 0.63 0.00 -0.04 3.15 5.08 -0.53 -1.57 114.58 121.30 1pcf h GLU 115 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1pcf h GLU 115 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1pcf h GLU 115 CO 0.02 0.23 0.00 1.04 -1.00 0.00 0.00 179.01 179.30 1pcf n GLN 116 N -4.10 1.34 -0.13 2.33 1.13 -0.20 -4.45 117.38 113.30 1pcf n GLN 116 Ca -0.02 -0.51 -0.07 0.00 -1.94 0.00 0.00 57.00 54.47 1pcf n GLN 116 Cb 0.30 -1.43 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 1.14 1.01 -0.80 5.09 2.04 -1.11 -0.32 117.51 124.55 1pcf h ILE 117 Ca 0.00 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1pcf h ILE 117 Cb 0.24 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1pcf h ILE 117 CO 0.00 0.08 0.46 -1.28 0.00 0.00 0.00 178.15 177.41 1pcf h SER 118 N 0.46 0.98 -0.52 1.72 0.87 -1.81 0.44 113.55 115.70 1pcf h SER 118 Ca 0.17 -0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 1pcf h SER 118 Cb 0.04 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1pcf h SER 118 CO -0.10 0.78 -0.08 0.44 -0.53 0.00 0.00 176.83 177.34 1pcf h ASP 119 N 1.10 0.97 -0.37 6.23 3.32 -1.68 -0.73 116.42 125.26 1pcf h ASP 119 Ca 0.28 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1pcf h ASP 119 Cb -0.00 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1pcf h ASP 119 CO -0.05 1.08 0.18 0.40 -1.72 0.00 0.00 179.24 179.14 1pcf h ILE 120 N 0.84 1.17 -0.59 0.35 2.04 -0.75 -1.31 117.51 119.25 1pcf h ILE 120 Ca 0.14 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 1pcf h ILE 120 Cb 0.64 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1pcf h ILE 120 CO 0.04 0.18 0.00 0.44 0.00 0.00 0.00 178.15 178.81 1pcf h ASP 121 N 0.46 1.00 -0.73 1.72 3.32 -0.73 -0.28 116.42 121.19 1pcf h ASP 121 Ca 0.13 -0.28 0.08 0.00 0.02 0.00 0.00 57.03 56.98 1pcf h ASP 121 Cb 0.11 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.33 1pcf h ASP 121 CO -0.02 1.05 0.40 0.44 -1.72 0.00 0.00 179.24 179.40 1pcf h ASP 122 N 0.94 0.57 0.08 6.45 3.32 -0.93 -1.05 116.42 125.80 1pcf h ASP 122 Ca 0.17 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 1pcf h ASP 122 Cb 0.54 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1pcf h ASP 122 CO 0.03 0.34 -0.52 0.00 -1.72 0.00 0.00 179.24 177.38 1pcf h ALA 123 N 1.40 0.78 -0.58 3.45 0.00 -0.58 -2.52 119.26 121.21 1pcf h ALA 123 Ca 0.34 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1pcf h ALA 123 Cb 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1pcf h ALA 123 CO -0.22 0.68 0.30 0.28 0.00 0.00 0.00 179.25 180.28 1pcf h VAL 124 N 0.38 1.20 -0.06 0.00 2.07 -0.73 -2.75 116.25 116.36 1pcf h VAL 124 Ca 0.01 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1pcf h VAL 124 Cb 1.03 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1pcf h VAL 124 CO 0.09 0.22 -0.07 -0.09 0.02 0.00 0.00 177.57 177.75 1pcf h ARG 125 N 0.79 0.08 0.00 1.57 2.43 -0.84 -2.27 114.38 116.14 1pcf h ARG 125 Ca 0.20 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1pcf h ARG 125 Cb 0.08 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1pcf h ARG 125 CO -0.03 0.16 0.00 1.63 -1.51 0.00 0.00 179.97 180.22 1pcf n LYS 126 N -4.41 0.18 0.00 0.20 5.02 -0.98 -5.11 118.16 113.06 1pcf n LYS 126 Ca -0.02 0.22 0.15 0.00 -2.02 0.00 0.00 58.31 56.64 1pcf n LYS 126 Cb 0.17 -1.74 0.87 0.00 -0.02 0.00 0.00 35.03 34.31 1pcf n LYS 126 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16