#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 2.37 -0.10 0.00 1.00 -1.26 -1.11 119.30 120.20 1pcf s MET 63 Ca 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 55.69 54.81 1pcf s MET 63 Cb 0.00 -2.17 0.03 0.00 0.00 0.00 0.00 34.83 32.70 1pcf s MET 63 CO 0.00 0.51 0.00 -0.06 0.00 0.00 0.00 175.02 175.47 1pcf s PHE 64 N -0.47 0.82 0.00 -0.03 0.08 0.14 -4.98 117.98 113.54 1pcf s PHE 64 Ca 0.06 -0.37 -0.30 0.00 0.12 0.00 0.00 56.93 56.43 1pcf s PHE 64 Cb -0.11 -0.89 -0.03 0.00 -0.57 0.00 0.00 43.02 41.41 1pcf s PHE 64 CO 0.01 -0.41 1.02 -1.14 -0.10 0.00 0.00 175.22 174.60 1pcf s GLN 65 N 1.93 4.53 0.00 0.44 0.74 -1.26 -0.16 119.66 125.87 1pcf s GLN 65 Ca 0.04 1.47 0.03 0.00 0.05 0.00 0.00 55.36 56.95 1pcf s GLN 65 Cb -0.13 -3.45 0.03 0.00 1.10 0.00 0.00 33.01 30.56 1pcf s GLN 65 CO -0.06 -0.10 0.63 0.44 -0.55 0.00 0.00 175.29 175.65 1pcf n ILE 66 N 3.95 0.06 -3.86 -2.34 -5.35 -0.66 -4.94 119.36 106.22 1pcf n ILE 66 Ca 0.07 -0.53 0.03 0.00 -0.27 0.00 0.00 62.75 62.04 1pcf n ILE 66 Cb 0.50 1.03 0.01 0.00 -1.74 0.00 0.00 39.64 39.44 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 -0.31 -0.25 0.11 3.28 0.00 -1.10 -4.97 107.32 104.08 1pcf s GLY 67 Ca 0.04 0.32 -0.31 0.00 0.00 0.00 0.00 44.72 44.77 1pcf s GLY 67 CO 0.04 4.01 1.72 0.54 0.00 0.00 0.00 173.10 179.41 1pcf s LYS 68 N -2.10 4.17 -1.25 2.90 1.02 -1.26 -2.48 119.74 120.74 1pcf s LYS 68 Ca 0.25 2.45 0.00 0.00 0.02 0.00 0.00 55.97 58.69 1pcf s LYS 68 Cb 0.02 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.79 1pcf s LYS 68 CO -0.03 -0.77 0.00 -1.33 -0.92 0.00 0.00 175.35 172.31 1pcf n MET 69 N 5.42 -0.97 -3.99 1.68 2.81 -1.26 -4.95 117.12 115.85 1pcf n MET 69 Ca 0.16 0.89 -0.24 0.00 -1.81 0.00 0.00 57.70 56.70 1pcf n MET 69 Cb 0.39 -4.95 -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 -2.91 1.16 0.03 0.03 0.52 -1.03 -0.33 118.95 116.42 1pcf s ARG 70 Ca 0.00 -0.14 0.01 0.00 -0.52 0.00 0.00 55.73 55.08 1pcf s ARG 70 Cb 0.00 -1.26 -0.02 0.00 0.52 0.00 0.00 34.95 34.19 1pcf s ARG 70 CO 0.00 -0.21 -0.06 0.71 0.02 0.00 0.00 175.30 175.76 1pcf s TYR 71 N 1.53 0.49 -0.15 -0.53 1.51 -0.67 -1.66 117.35 117.87 1pcf s TYR 71 Ca 0.00 -0.41 -0.15 0.00 -1.01 0.00 0.00 57.07 55.50 1pcf s TYR 71 Cb -0.13 -0.30 -0.05 0.00 -0.11 0.00 0.00 41.96 41.37 1pcf s TYR 71 CO -0.05 -0.09 0.33 0.08 -1.11 0.00 0.00 175.55 174.71 1pcf s VAL 72 N -1.12 5.28 -0.11 0.71 1.01 0.77 -1.77 120.40 125.18 1pcf s VAL 72 Ca -0.09 0.64 0.02 0.00 0.00 0.00 0.00 61.98 62.55 1pcf s VAL 72 Cb -0.08 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1pcf s VAL 72 CO -0.00 0.37 -0.17 -0.55 0.00 0.00 0.00 175.10 174.76 1pcf s SER 73 N 0.51 3.72 -0.20 3.32 0.15 0.45 -0.69 113.70 120.96 1pcf s SER 73 Ca 0.19 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1pcf s SER 73 Cb -0.13 -1.41 0.02 0.00 -1.71 0.00 0.00 66.02 62.79 1pcf s SER 73 CO 0.05 0.19 -0.16 -0.69 1.20 0.00 0.00 173.24 173.83 1pcf s VAL 74 N 0.18 2.29 0.16 4.45 1.01 -0.27 -0.09 120.40 128.12 1pcf s VAL 74 Ca -0.10 -0.99 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 1pcf s VAL 74 Cb -0.16 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.23 1pcf s VAL 74 CO 0.06 0.43 0.51 0.00 0.00 0.00 0.00 175.10 176.09 1pcf s ARG 75 N 1.29 1.23 -0.09 2.72 1.70 -1.03 -0.99 118.95 123.78 1pcf s ARG 75 Ca 0.03 -0.65 -0.22 0.00 -0.47 0.00 0.00 55.73 54.42 1pcf s ARG 75 Cb -0.14 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 1pcf s ARG 75 CO -0.10 -0.51 0.65 0.34 -1.08 0.00 0.00 175.30 174.60 1pcf s ASP 76 N -2.80 6.91 -0.32 -2.89 -1.08 -1.26 -1.27 116.67 113.96 1pcf s ASP 76 Ca 0.04 1.09 -0.00 0.00 -0.52 0.00 0.00 52.55 53.15 1pcf s ASP 76 Cb 0.00 -2.38 0.10 0.00 -1.46 0.00 0.00 42.92 39.18 1pcf s ASP 76 CO -0.10 -0.11 0.10 0.12 0.52 0.00 0.00 175.17 175.70 1pcf s PHE 77 N 0.85 1.92 -0.71 -5.34 2.19 0.16 -4.79 117.98 112.26 1pcf s PHE 77 Ca 0.35 -1.88 -0.01 0.00 0.33 0.00 0.00 56.93 55.71 1pcf s PHE 77 Cb -0.17 -1.84 0.00 0.00 -1.31 0.00 0.00 43.02 39.70 1pcf s PHE 77 CO 0.16 -0.88 0.16 1.63 1.83 0.00 0.00 175.22 178.12 1pcf n LYS 78 N 4.76 -1.58 -0.93 10.12 4.01 -1.26 -2.44 118.16 130.83 1pcf n LYS 78 Ca -0.01 0.41 0.00 0.00 -0.51 0.00 0.00 58.31 58.20 1pcf n LYS 78 Cb 0.42 -4.28 0.00 0.00 -0.51 0.00 0.00 35.03 30.66 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 -1.05 0.79 3.31 0.72 0.00 -1.26 -5.02 105.19 102.68 1pcf n GLY 79 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.07 2.59 0.07 1.61 -0.14 -1.02 -5.10 119.74 117.68 1pcf s LYS 80 Ca 0.00 -0.86 -0.29 0.00 -1.36 0.00 0.00 55.97 53.46 1pcf s LYS 80 Cb 0.00 -2.22 -0.05 0.00 -1.68 0.00 0.00 37.83 33.88 1pcf s LYS 80 CO 0.00 0.41 0.95 0.08 -0.76 0.00 0.00 175.35 176.03 1pcf s VAL 81 N -0.23 4.63 -0.02 3.17 1.01 -1.26 0.39 120.40 128.09 1pcf s VAL 81 Ca -0.01 2.02 0.08 0.00 0.00 0.00 0.00 61.98 64.07 1pcf s VAL 81 Cb -0.13 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 1pcf s VAL 81 CO 0.03 0.28 -0.25 -0.76 0.00 0.00 0.00 175.10 174.40 1pcf s LEU 82 N 0.29 2.12 -0.39 3.92 1.43 -0.40 -4.31 118.68 121.33 1pcf s LEU 82 Ca 0.47 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1pcf s LEU 82 Cb -0.22 -1.36 0.11 0.00 0.03 0.00 0.00 46.19 44.74 1pcf s LEU 82 CO 0.29 0.32 0.17 -0.63 0.23 0.00 0.00 176.35 176.72 1pcf s ILE 83 N -0.62 3.08 -0.23 -0.59 1.09 0.82 -2.47 121.20 122.28 1pcf s ILE 83 Ca 0.10 -2.08 -0.08 0.00 -1.10 0.00 0.00 60.65 57.49 1pcf s ILE 83 Cb -0.10 -3.12 -0.04 0.00 -1.06 0.00 0.00 42.46 38.14 1pcf s ILE 83 CO -0.01 -0.65 0.09 -0.62 -0.10 0.00 0.00 174.94 173.65 1pcf s ASP 84 N 1.62 5.44 -0.26 3.58 -1.08 0.87 -0.69 116.67 126.15 1pcf s ASP 84 Ca 0.08 -0.08 -0.04 0.00 -0.52 0.00 0.00 52.55 51.99 1pcf s ASP 84 Cb -0.22 -1.97 0.01 0.00 -1.46 0.00 0.00 42.92 39.28 1pcf s ASP 84 CO -0.05 0.03 0.00 -0.63 0.52 0.00 0.00 175.17 175.05 1pcf s ILE 85 N 1.22 3.44 0.10 4.11 1.01 0.02 -0.41 121.20 130.69 1pcf s ILE 85 Ca 0.05 -0.76 -0.25 0.00 0.00 0.00 0.00 60.65 59.69 1pcf s ILE 85 Cb -0.14 -2.72 0.07 0.00 0.01 0.00 0.00 42.46 39.68 1pcf s ILE 85 CO 0.04 0.21 0.63 -0.60 0.00 0.00 0.00 174.94 175.21 1pcf s ARG 86 N 1.43 1.21 0.23 2.79 3.52 -0.73 -1.30 118.95 126.11 1pcf s ARG 86 Ca 0.02 -0.29 -0.20 0.00 -0.13 0.00 0.00 55.73 55.14 1pcf s ARG 86 Cb -0.16 0.56 -0.08 0.00 -1.56 0.00 0.00 34.95 33.71 1pcf s ARG 86 CO -0.01 -0.50 0.74 -1.21 -0.81 0.00 0.00 175.30 173.51 1pcf s GLU 87 N -3.11 4.26 0.09 5.12 2.02 -0.41 -1.67 118.70 125.01 1pcf s GLU 87 Ca -0.02 0.89 0.08 0.00 0.02 0.00 0.00 54.97 55.94 1pcf s GLU 87 Cb -0.01 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 1pcf s GLU 87 CO -0.07 0.38 -0.20 0.71 0.02 0.00 0.00 175.26 176.10 1pcf s TYR 88 N -1.54 1.69 0.33 1.61 1.51 0.55 -0.57 117.35 120.93 1pcf s TYR 88 Ca 0.44 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 56.16 1pcf s TYR 88 Cb -0.17 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 1pcf s TYR 88 CO 0.21 0.17 0.18 -1.58 -1.11 0.00 0.00 175.55 173.42 1pcf s TRP 89 N -1.14 2.79 -0.15 2.71 0.52 0.32 -4.85 118.94 119.14 1pcf s TRP 89 Ca 0.05 -0.33 -0.02 0.00 0.02 0.00 0.00 56.10 55.82 1pcf s TRP 89 Cb -0.10 -1.64 -0.02 0.00 -1.15 0.00 0.00 33.47 30.56 1pcf s TRP 89 CO 0.04 0.32 -0.09 1.41 0.02 0.00 0.00 176.95 178.65 1pcf s MET 90 N -3.88 3.47 0.82 4.98 1.75 -1.26 -0.01 119.30 125.16 1pcf s MET 90 Ca 0.38 -0.63 -0.09 0.00 -1.25 0.00 0.00 55.69 54.10 1pcf s MET 90 Cb -0.04 -2.77 0.14 0.00 2.84 0.00 0.00 34.83 35.00 1pcf s MET 90 CO 0.24 0.16 1.14 0.16 -0.65 0.00 0.00 175.02 176.07 1pcf s ASP 91 N 0.52 3.98 0.23 1.11 1.47 0.03 -4.91 116.67 119.10 1pcf s ASP 91 Ca -0.06 0.16 0.19 0.00 1.18 0.00 0.00 52.55 54.02 1pcf s ASP 91 Cb -0.15 -0.48 0.90 0.00 -0.34 0.00 0.00 42.92 42.85 1pcf s ASP 91 CO 0.03 -2.15 1.58 -2.65 0.68 0.00 0.00 175.17 172.66 1pcf n PRO 92 N -3.26 0.13 0.00 2.11 -0.02 -1.26 -0.82 135.00 131.88 1pcf n PRO 92 Ca 0.13 0.51 0.14 0.00 -2.02 0.00 0.00 63.50 62.25 1pcf n PRO 92 Cb 0.60 -1.83 0.45 0.00 -0.02 0.00 0.00 33.50 32.70 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 -2.08 1.61 -0.77 -0.52 4.71 -1.26 -4.93 120.64 117.40 1pcf n GLU 93 Ca 0.00 -1.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.15 1pcf n GLU 93 Cb 0.11 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 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 1.22 0.55 3.85 0.62 0.00 0.00 -5.05 105.19 106.38 1pcf n GLY 94 Ca 0.17 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.16 3.63 0.02 1.61 2.02 -1.26 -4.80 118.70 118.77 1pcf s GLU 95 Ca 0.00 -0.05 -0.30 0.00 0.02 0.00 0.00 54.97 54.64 1pcf s GLU 95 Cb 0.00 -3.23 -0.05 0.00 0.10 0.00 0.00 34.13 30.95 1pcf s GLU 95 CO 0.00 0.69 1.20 -1.64 0.02 0.00 0.00 175.26 175.53 1pcf s MET 96 N -0.82 4.41 0.01 1.61 -1.94 -1.26 -0.79 119.30 120.52 1pcf s MET 96 Ca 0.16 1.74 0.06 0.00 -1.71 0.00 0.00 55.69 55.94 1pcf s MET 96 Cb -0.13 -3.42 -0.02 0.00 2.01 0.00 0.00 34.83 33.27 1pcf s MET 96 CO 0.05 -0.32 -0.19 0.15 -0.01 0.00 0.00 175.02 174.70 1pcf s LYS 97 N 1.44 1.41 0.22 2.03 -0.14 0.98 -4.95 119.74 120.73 1pcf s LYS 97 Ca 0.58 -0.79 -0.30 0.00 -1.36 0.00 0.00 55.97 54.10 1pcf s LYS 97 Cb -0.28 -1.44 -0.09 0.00 -1.68 0.00 0.00 37.83 34.34 1pcf s LYS 97 CO 0.27 0.38 1.33 -1.25 -0.76 0.00 0.00 175.35 175.33 1pcf s PRO 98 N -0.81 4.36 0.76 -1.68 0.04 -1.26 -0.52 135.00 135.89 1pcf s PRO 98 Ca 0.07 2.12 -0.04 0.00 0.04 0.00 0.00 61.00 63.18 1pcf s PRO 98 Cb -0.08 -3.17 0.13 0.00 0.04 0.00 0.00 34.50 31.43 1pcf s PRO 98 CO 0.01 -0.28 1.05 0.20 0.04 0.00 0.00 177.00 178.02 1pcf s GLY 99 N 0.27 1.76 0.28 0.56 0.00 0.27 -4.84 107.32 105.62 1pcf s GLY 99 Ca 0.57 -1.55 0.25 0.00 0.00 0.00 0.00 44.72 43.98 1pcf s GLY 99 CO 0.40 -0.97 1.64 3.21 0.00 0.00 0.00 173.10 177.38 1pcf h ARG 100 N -0.72 0.00 -4.74 2.90 3.08 -1.96 -3.41 114.38 109.52 1pcf h ARG 100 Ca -0.39 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 58.95 1pcf h ARG 100 Cb 1.27 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.12 1pcf h ARG 100 CO 0.42 0.00 0.63 0.15 -1.07 0.00 0.00 179.97 180.10 1pcf s LYS 101 N -3.16 3.57 0.16 0.04 1.02 -1.26 -4.91 119.74 115.20 1pcf s LYS 101 Ca 0.08 -1.89 -0.23 0.00 0.02 0.00 0.00 55.97 53.95 1pcf s LYS 101 Cb 0.10 -4.76 0.08 0.00 -0.52 0.00 0.00 37.83 32.72 1pcf s LYS 101 CO 0.65 -1.65 1.06 0.20 -0.92 0.00 0.00 175.35 174.68 1pcf s GLY 102 N 3.29 0.05 -0.09 -3.33 0.00 -1.26 -1.29 107.32 104.69 1pcf s GLY 102 Ca 0.28 -0.23 -0.07 0.00 0.00 0.00 0.00 44.72 44.69 1pcf s GLY 102 CO -0.08 2.42 0.23 -1.50 0.00 0.00 0.00 173.10 174.17 1pcf s ILE 103 N -2.26 -0.01 -0.39 0.90 2.07 -0.42 -4.98 121.20 116.11 1pcf s ILE 103 Ca 0.21 0.03 -0.14 0.00 -1.41 0.00 0.00 60.65 59.34 1pcf s ILE 103 Cb -0.02 -0.33 0.01 0.00 0.13 0.00 0.00 42.46 42.25 1pcf s ILE 103 CO 0.04 0.01 0.27 -0.44 -1.91 0.00 0.00 174.94 172.92 1pcf s SER 104 N 0.35 6.05 0.15 4.50 0.01 -1.26 -0.80 113.70 122.70 1pcf s SER 104 Ca -0.02 -0.81 -0.04 0.00 1.31 0.00 0.00 55.95 56.39 1pcf s SER 104 Cb -0.03 -2.14 -0.05 0.00 0.21 0.00 0.00 66.02 64.00 1pcf s SER 104 CO -0.01 -0.39 0.38 -0.76 0.41 0.00 0.00 173.24 172.86 1pcf s LEU 105 N 1.67 4.26 0.59 2.44 1.43 0.13 -4.90 118.68 124.30 1pcf s LEU 105 Ca 0.05 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1pcf s LEU 105 Cb -0.19 -3.31 0.05 0.00 0.03 0.00 0.00 46.19 42.77 1pcf s LEU 105 CO 0.10 0.04 0.82 0.54 0.23 0.00 0.00 176.35 178.08 1pcf s ASN 106 N -2.49 5.12 0.51 2.29 2.20 -1.26 -0.12 114.94 121.18 1pcf s ASN 106 Ca 0.41 -0.02 0.18 0.00 -0.94 0.00 0.00 52.86 52.50 1pcf s ASN 106 Cb -0.12 -0.78 1.28 0.00 -2.00 0.00 0.00 41.25 39.63 1pcf s ASN 106 CO 0.25 -1.27 2.11 -0.65 -2.94 0.00 0.00 177.10 174.60 1pcf h PRO 107 N -0.06 0.00 -0.06 3.55 0.11 -1.98 -1.44 132.00 132.12 1pcf h PRO 107 Ca -0.41 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.46 1pcf h PRO 107 Cb 1.30 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.42 1pcf h PRO 107 CO 0.51 0.07 -0.91 1.49 -0.21 0.00 0.00 178.00 178.95 1pcf h GLU 108 N 0.00 0.66 -0.39 1.05 4.57 -1.96 0.02 114.58 118.53 1pcf h GLU 108 Ca -0.00 -0.63 -0.14 0.00 -1.18 0.00 0.00 59.36 57.41 1pcf h GLU 108 Cb 0.13 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1pcf h GLU 108 CO 0.01 1.23 -0.33 1.96 -1.18 0.00 0.00 179.01 180.71 1pcf h GLN 109 N 0.41 0.88 -0.77 1.92 4.20 -1.78 -1.13 115.11 118.84 1pcf h GLN 109 Ca -0.09 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.19 1pcf h GLN 109 Cb 1.54 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.28 1pcf h GLN 109 CO 0.18 1.07 0.45 2.35 -0.67 0.00 0.00 178.83 182.21 1pcf h TRP 110 N 0.74 1.02 -0.62 2.96 2.91 -1.26 -1.37 115.95 120.33 1pcf h TRP 110 Ca 0.07 -0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.02 1pcf h TRP 110 Cb 0.90 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 29.19 1pcf h TRP 110 CO 0.05 0.69 0.10 1.03 -1.03 0.00 0.00 178.44 179.28 1pcf h SER 111 N 1.07 0.99 -0.90 2.65 0.87 -0.48 -0.66 113.55 117.09 1pcf h SER 111 Ca 0.28 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1pcf h SER 111 Cb -0.02 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.63 1pcf h SER 111 CO -0.05 1.00 0.54 1.56 -0.53 0.00 0.00 176.83 179.34 1pcf h GLN 112 N 0.94 1.23 0.07 2.24 1.08 -0.74 0.39 115.11 120.32 1pcf h GLN 112 Ca 0.19 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1pcf h GLN 112 Cb 0.43 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1pcf h GLN 112 CO 0.01 0.87 -0.04 1.25 -0.95 0.00 0.00 178.83 179.98 1pcf h LEU 113 N 1.25 -0.08 -1.10 1.46 6.46 -0.81 -3.04 115.31 119.44 1pcf h LEU 113 Ca 0.32 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.06 1pcf h LEU 113 Cb -0.04 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 39.87 1pcf h LEU 113 CO -0.06 -0.03 0.54 0.11 -0.62 0.00 0.00 178.44 178.37 1pcf h LYS 114 N -0.12 1.15 0.00 1.25 1.57 -0.61 -1.74 116.57 118.06 1pcf h LYS 114 Ca -0.01 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1pcf h LYS 114 Cb 0.10 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 1pcf h LYS 114 CO 0.02 0.78 -0.00 0.93 -0.57 0.00 0.00 179.45 180.61 1pcf h GLU 115 N 1.17 0.00 -0.40 3.15 5.08 -0.91 -2.51 114.58 120.16 1pcf h GLU 115 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1pcf h GLU 115 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1pcf h GLU 115 CO -0.06 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.99 1pcf n GLN 116 N -3.88 3.20 -0.29 2.33 6.02 -0.68 -4.67 117.38 119.41 1pcf n GLN 116 Ca -0.03 -2.62 -0.05 0.00 -0.01 0.00 0.00 57.00 54.30 1pcf n GLN 116 Cb 0.09 -1.69 0.07 0.00 1.02 0.00 0.00 30.24 29.72 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 2.53 1.23 -0.85 5.09 2.04 -1.14 0.01 117.51 126.42 1pcf h ILE 117 Ca 0.00 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.34 1pcf h ILE 117 Cb 1.24 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1pcf h ILE 117 CO 0.17 0.25 0.56 -1.28 0.00 0.00 0.00 178.15 177.84 1pcf h SER 118 N 1.10 0.96 -0.52 1.72 0.87 -1.83 0.65 113.55 116.50 1pcf h SER 118 Ca 0.29 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.71 1pcf h SER 118 Cb -0.01 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 1pcf h SER 118 CO -0.05 0.68 -0.12 0.44 -0.53 0.00 0.00 176.83 177.25 1pcf h ASP 119 N 1.13 1.01 -0.46 6.23 3.32 -1.74 0.90 116.42 126.81 1pcf h ASP 119 Ca 0.32 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1pcf h ASP 119 Cb -0.09 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 1pcf h ASP 119 CO -0.08 1.13 0.15 0.40 -1.72 0.00 0.00 179.24 179.12 1pcf h ILE 120 N 0.88 1.22 -0.74 0.35 2.04 -0.59 -2.18 117.51 118.48 1pcf h ILE 120 Ca 0.13 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.27 1pcf h ILE 120 Cb 0.69 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1pcf h ILE 120 CO 0.05 0.26 0.48 0.44 0.00 0.00 0.00 178.15 179.39 1pcf h ASP 121 N 0.60 0.86 -0.61 1.72 3.32 -0.74 -0.68 116.42 120.88 1pcf h ASP 121 Ca 0.15 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1pcf h ASP 121 Cb 0.25 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1pcf h ASP 121 CO -0.01 0.63 0.22 0.44 -1.72 0.00 0.00 179.24 178.81 1pcf h ASP 122 N 1.01 0.86 -0.78 6.45 3.32 -0.49 -0.71 116.42 126.08 1pcf h ASP 122 Ca 0.27 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1pcf h ASP 122 Cb -0.10 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.19 1pcf h ASP 122 CO -0.06 0.82 0.31 0.00 -1.72 0.00 0.00 179.24 178.59 1pcf h ALA 123 N 1.08 1.01 -0.65 3.45 0.00 -0.76 -2.77 119.26 120.63 1pcf h ALA 123 Ca 0.20 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1pcf h ALA 123 Cb 0.24 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1pcf h ALA 123 CO -0.01 0.63 0.22 0.28 0.00 0.00 0.00 179.25 180.37 1pcf h VAL 124 N 1.12 1.25 0.00 0.00 2.07 -0.70 -2.98 116.25 117.01 1pcf h VAL 124 Ca 0.26 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 1pcf h VAL 124 Cb 0.21 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1pcf h VAL 124 CO -0.02 0.32 -0.21 -0.09 0.02 0.00 0.00 177.57 177.58 1pcf h ARG 125 N 0.93 0.00 0.00 1.57 2.43 -1.03 -2.33 114.38 115.94 1pcf h ARG 125 Ca 0.21 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1pcf h ARG 125 Cb 0.27 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1pcf h ARG 125 CO -0.01 0.21 -0.07 0.87 -1.51 0.00 0.00 179.97 179.46 1pcf h LYS 126 N 0.00 0.00 -0.02 0.20 1.57 -1.33 -3.51 116.57 113.48 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 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1pcf h LYS 126 CO 0.03 0.07 0.00 1.28 -0.57 0.00 0.00 179.45 180.26