#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 2.25 -0.16 0.00 1.00 -1.26 -1.01 119.30 120.12 1pcf s MET 63 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 55.69 54.82 1pcf s MET 63 Cb 0.00 -2.22 0.04 0.00 0.00 0.00 0.00 34.83 32.65 1pcf s MET 63 CO 0.00 0.58 -0.02 -0.06 0.00 0.00 0.00 175.02 175.52 1pcf s PHE 64 N -0.76 1.34 -0.02 -0.03 0.08 0.10 -4.97 117.98 113.72 1pcf s PHE 64 Ca 0.12 -0.86 -0.30 0.00 0.12 0.00 0.00 56.93 56.01 1pcf s PHE 64 Cb -0.10 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 1pcf s PHE 64 CO 0.02 -0.56 1.18 -1.14 -0.10 0.00 0.00 175.22 174.61 1pcf s GLN 65 N 1.75 4.39 0.00 0.44 0.74 -1.26 -0.05 119.66 125.67 1pcf s GLN 65 Ca 0.01 1.68 0.02 0.00 0.05 0.00 0.00 55.36 57.12 1pcf s GLN 65 Cb -0.15 -3.50 0.03 0.00 1.10 0.00 0.00 33.01 30.49 1pcf s GLN 65 CO -0.07 -0.37 0.73 0.44 -0.55 0.00 0.00 175.29 175.47 1pcf n ILE 66 N 4.39 0.33 -3.60 -2.34 -5.35 0.60 -4.93 119.36 108.46 1pcf n ILE 66 Ca 0.10 -0.66 0.02 0.00 -0.27 0.00 0.00 62.75 61.93 1pcf n ILE 66 Cb 0.47 0.87 -0.00 0.00 -1.74 0.00 0.00 39.64 39.23 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 -0.45 -0.43 0.27 3.28 0.00 -1.10 -4.93 107.32 103.95 1pcf s GLY 67 Ca 0.03 0.82 -0.31 0.00 0.00 0.00 0.00 44.72 45.26 1pcf s GLY 67 CO 0.03 0.16 1.61 1.17 0.00 0.00 0.00 173.10 176.07 1pcf n LYS 68 N -0.47 2.66 -0.99 2.90 4.81 -1.26 -1.51 118.16 124.31 1pcf n LYS 68 Ca -0.08 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 1pcf n LYS 68 Cb 0.63 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.94 1pcf n LYS 68 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1pcf n MET 69 N 2.59 -1.29 -4.60 1.64 2.81 -1.26 -4.98 117.12 112.02 1pcf n MET 69 Ca 0.11 0.32 -0.25 0.00 -1.81 0.00 0.00 57.70 56.07 1pcf n MET 69 Cb 0.36 -4.31 -0.16 0.00 -0.71 0.00 0.00 33.22 28.39 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 -1.31 1.69 0.04 0.03 0.52 -0.57 -0.14 118.95 119.22 1pcf s ARG 70 Ca 0.00 -0.43 0.03 0.00 -0.52 0.00 0.00 55.73 54.81 1pcf s ARG 70 Cb 0.00 -1.40 -0.02 0.00 0.52 0.00 0.00 34.95 34.05 1pcf s ARG 70 CO 0.00 0.05 -0.09 0.71 0.02 0.00 0.00 175.30 175.99 1pcf s TYR 71 N 0.59 0.78 -0.17 -0.53 1.51 -0.71 -0.29 117.35 118.53 1pcf s TYR 71 Ca -0.13 -0.41 -0.13 0.00 -1.01 0.00 0.00 57.07 55.38 1pcf s TYR 71 Cb -0.15 -0.46 -0.05 0.00 -0.11 0.00 0.00 41.96 41.19 1pcf s TYR 71 CO 0.04 -0.04 0.28 0.08 -1.11 0.00 0.00 175.55 174.80 1pcf s VAL 72 N -1.11 5.31 -0.02 0.71 1.01 0.93 -1.75 120.40 125.48 1pcf s VAL 72 Ca -0.06 0.51 0.06 0.00 0.00 0.00 0.00 61.98 62.49 1pcf s VAL 72 Cb -0.09 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1pcf s VAL 72 CO 0.01 0.38 -0.21 -0.55 0.00 0.00 0.00 175.10 174.72 1pcf s SER 73 N 0.54 3.47 -0.11 3.32 0.15 0.51 0.02 113.70 121.60 1pcf s SER 73 Ca 0.15 -0.37 0.03 0.00 0.70 0.00 0.00 55.95 56.46 1pcf s SER 73 Cb -0.13 -0.54 0.01 0.00 -1.71 0.00 0.00 66.02 63.65 1pcf s SER 73 CO 0.04 0.32 -0.21 -0.69 1.20 0.00 0.00 173.24 173.89 1pcf s VAL 74 N -0.69 1.90 0.24 4.45 1.01 -0.18 -0.50 120.40 126.63 1pcf s VAL 74 Ca 0.11 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 1pcf s VAL 74 Cb -0.10 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1pcf s VAL 74 CO 0.00 0.52 0.53 0.00 0.00 0.00 0.00 175.10 176.16 1pcf s ARG 75 N 0.60 1.54 -0.27 2.72 1.70 -0.88 -1.35 118.95 123.01 1pcf s ARG 75 Ca -0.13 -1.09 -0.07 0.00 -0.47 0.00 0.00 55.73 53.97 1pcf s ARG 75 Cb -0.17 0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 34.71 1pcf s ARG 75 CO 0.04 -0.65 0.07 0.34 -1.08 0.00 0.00 175.30 174.01 1pcf s ASP 76 N -2.96 5.07 -0.26 -2.89 -1.08 -1.26 -1.08 116.67 112.20 1pcf s ASP 76 Ca 0.16 -0.47 0.03 0.00 -0.52 0.00 0.00 52.55 51.75 1pcf s ASP 76 Cb -0.02 -1.89 0.06 0.00 -1.46 0.00 0.00 42.92 39.62 1pcf s ASP 76 CO 0.05 -0.11 -0.09 0.12 0.52 0.00 0.00 175.17 175.66 1pcf s PHE 77 N 1.55 3.15 -1.39 -5.34 5.36 0.11 -4.75 117.98 116.67 1pcf s PHE 77 Ca 0.05 -2.27 -0.08 0.00 -0.96 0.00 0.00 56.93 53.66 1pcf s PHE 77 Cb -0.16 -1.93 0.03 0.00 -0.34 0.00 0.00 43.02 40.62 1pcf s PHE 77 CO 0.03 -0.87 1.05 1.63 -1.46 0.00 0.00 175.22 175.60 1pcf n LYS 78 N 4.46 -6.72 -0.97 10.12 4.76 -1.26 -1.44 118.16 127.11 1pcf n LYS 78 Ca -0.13 0.74 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1pcf n LYS 78 Cb 0.42 -5.69 0.00 0.00 -1.84 0.00 0.00 35.03 27.93 1pcf n LYS 78 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pcf n GLY 79 N -1.75 0.81 3.34 0.72 0.00 -1.26 -5.01 105.19 102.03 1pcf n GLY 79 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.10 1.79 -0.11 1.61 1.02 -0.52 -5.11 119.74 118.32 1pcf s LYS 80 Ca 0.00 -1.10 -0.19 0.00 0.02 0.00 0.00 55.97 54.70 1pcf s LYS 80 Cb 0.00 -1.96 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1pcf s LYS 80 CO 0.00 0.51 0.49 0.08 -0.92 0.00 0.00 175.35 175.51 1pcf s VAL 81 N -0.80 5.17 -0.05 3.17 1.01 -1.26 0.04 120.40 127.68 1pcf s VAL 81 Ca 0.12 0.99 0.06 0.00 0.00 0.00 0.00 61.98 63.15 1pcf s VAL 81 Cb -0.10 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1pcf s VAL 81 CO 0.02 0.33 -0.25 -0.76 0.00 0.00 0.00 175.10 174.44 1pcf s LEU 82 N 0.59 2.07 -0.39 3.92 1.43 -0.25 -4.22 118.68 121.83 1pcf s LEU 82 Ca 0.27 -0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1pcf s LEU 82 Cb -0.15 -1.36 0.08 0.00 0.03 0.00 0.00 46.19 44.78 1pcf s LEU 82 CO 0.11 0.25 0.20 -0.63 0.23 0.00 0.00 176.35 176.52 1pcf s ILE 83 N -0.22 3.89 -0.16 -0.59 1.09 0.71 -2.08 121.20 123.85 1pcf s ILE 83 Ca -0.02 -1.47 -0.05 0.00 -1.10 0.00 0.00 60.65 58.01 1pcf s ILE 83 Cb -0.13 -3.39 -0.03 0.00 -1.06 0.00 0.00 42.46 37.85 1pcf s ILE 83 CO 0.03 -0.46 -0.00 -0.62 -0.10 0.00 0.00 174.94 173.79 1pcf s ASP 84 N 1.89 5.08 -0.27 3.58 -1.08 0.34 -0.41 116.67 125.80 1pcf s ASP 84 Ca 0.03 -0.04 -0.02 0.00 -0.52 0.00 0.00 52.55 51.99 1pcf s ASP 84 Cb -0.22 -1.81 0.03 0.00 -1.46 0.00 0.00 42.92 39.46 1pcf s ASP 84 CO 0.01 0.19 -0.03 -0.63 0.52 0.00 0.00 175.17 175.23 1pcf s ILE 85 N 0.25 3.05 0.17 4.11 1.01 -0.15 -0.36 121.20 129.26 1pcf s ILE 85 Ca -0.01 -1.07 -0.19 0.00 0.00 0.00 0.00 60.65 59.39 1pcf s ILE 85 Cb -0.13 -2.60 0.04 0.00 0.01 0.00 0.00 42.46 39.78 1pcf s ILE 85 CO 0.02 0.11 0.51 -0.60 0.00 0.00 0.00 174.94 174.97 1pcf s ARG 86 N 1.33 1.27 0.17 2.79 3.52 -0.72 -1.14 118.95 126.17 1pcf s ARG 86 Ca -0.01 -0.72 -0.25 0.00 -0.13 0.00 0.00 55.73 54.62 1pcf s ARG 86 Cb -0.17 0.52 -0.08 0.00 -1.56 0.00 0.00 34.95 33.66 1pcf s ARG 86 CO -0.03 -0.53 0.77 -1.21 -0.81 0.00 0.00 175.30 173.49 1pcf s GLU 87 N -3.82 4.56 0.23 5.12 2.02 -0.45 -1.74 118.70 124.61 1pcf s GLU 87 Ca 0.05 1.15 0.09 0.00 0.02 0.00 0.00 54.97 56.28 1pcf s GLU 87 Cb -0.00 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.93 1pcf s GLU 87 CO -0.08 0.57 -0.17 0.71 0.02 0.00 0.00 175.26 176.31 1pcf s TYR 88 N -1.16 1.95 0.21 1.61 1.51 0.80 -0.31 117.35 121.96 1pcf s TYR 88 Ca 0.36 -0.47 0.07 0.00 -1.01 0.00 0.00 57.07 56.02 1pcf s TYR 88 Cb -0.23 -0.89 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 1pcf s TYR 88 CO 0.26 0.49 0.07 -1.58 -1.11 0.00 0.00 175.55 173.68 1pcf s TRP 89 N -2.66 2.94 -0.22 2.71 0.52 0.31 -4.79 118.94 117.76 1pcf s TRP 89 Ca 0.24 -0.12 -0.08 0.00 0.02 0.00 0.00 56.10 56.16 1pcf s TRP 89 Cb -0.03 -1.38 -0.04 0.00 -1.15 0.00 0.00 33.47 30.88 1pcf s TRP 89 CO 0.10 0.54 0.08 1.41 0.02 0.00 0.00 176.95 179.10 1pcf s MET 90 N -3.33 3.83 0.88 4.98 -2.45 -1.26 -0.29 119.30 121.66 1pcf s MET 90 Ca 0.30 -0.40 -0.13 0.00 -1.25 0.00 0.00 55.69 54.21 1pcf s MET 90 Cb -0.09 -3.30 0.15 0.00 1.25 0.00 0.00 34.83 32.85 1pcf s MET 90 CO 0.21 0.03 1.23 0.16 1.05 0.00 0.00 175.02 177.70 1pcf s ASP 91 N 1.04 3.69 0.43 1.11 1.47 0.29 -4.89 116.67 119.81 1pcf s ASP 91 Ca 0.04 0.32 0.30 0.00 1.18 0.00 0.00 52.55 54.40 1pcf s ASP 91 Cb -0.14 -0.55 1.48 0.00 -0.34 0.00 0.00 42.92 43.37 1pcf s ASP 91 CO 0.03 -2.37 1.91 -0.65 0.68 0.00 0.00 175.17 174.77 1pcf h PRO 92 N -1.31 0.00 -0.15 2.11 0.11 -1.99 0.61 132.00 131.38 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 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1pcf h PRO 92 CO 0.46 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.64 1pcf n GLU 93 N -2.60 1.87 -0.73 1.05 -0.58 -1.26 -4.94 120.64 113.44 1pcf n GLU 93 Ca -0.01 -1.29 0.00 0.00 -0.42 0.00 0.00 57.16 55.44 1pcf n GLU 93 Cb 0.14 -1.44 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 1.21 0.77 3.81 0.62 0.00 0.21 -5.04 105.19 106.76 1pcf n GLY 94 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.27 4.34 -0.11 1.61 0.41 -1.26 -4.75 118.70 118.67 1pcf s GLU 95 Ca 0.00 1.01 -0.24 0.00 -0.41 0.00 0.00 54.97 55.32 1pcf s GLU 95 Cb 0.00 -2.79 -0.03 0.00 -1.78 0.00 0.00 34.13 29.53 1pcf s GLU 95 CO 0.00 0.33 0.75 -1.64 -0.49 0.00 0.00 175.26 174.21 1pcf s MET 96 N -2.12 4.38 -0.09 1.61 -1.94 -1.26 -0.55 119.30 119.33 1pcf s MET 96 Ca 0.47 0.93 0.03 0.00 -1.71 0.00 0.00 55.69 55.41 1pcf s MET 96 Cb -0.16 -3.50 -0.01 0.00 2.01 0.00 0.00 34.83 33.16 1pcf s MET 96 CO 0.21 -0.10 -0.20 0.15 -0.01 0.00 0.00 175.02 175.07 1pcf s LYS 97 N 1.35 2.98 0.27 2.03 -0.14 0.60 -4.95 119.74 121.89 1pcf s LYS 97 Ca 0.38 -0.81 -0.30 0.00 -1.36 0.00 0.00 55.97 53.87 1pcf s LYS 97 Cb -0.17 -2.37 -0.11 0.00 -1.68 0.00 0.00 37.83 33.50 1pcf s LYS 97 CO 0.16 0.27 1.51 -1.25 -0.76 0.00 0.00 175.35 175.29 1pcf s PRO 98 N 0.13 4.20 0.67 -1.68 0.04 -1.26 -0.53 135.00 136.57 1pcf s PRO 98 Ca -0.10 2.43 -0.00 0.00 0.04 0.00 0.00 61.00 63.37 1pcf s PRO 98 Cb -0.16 -3.06 0.10 0.00 0.04 0.00 0.00 34.50 31.41 1pcf s PRO 98 CO 0.06 -0.52 0.93 0.20 0.04 0.00 0.00 177.00 177.71 1pcf s GLY 99 N 0.39 1.78 0.34 0.56 0.00 0.57 -4.82 107.32 106.13 1pcf s GLY 99 Ca 0.61 -1.58 0.18 0.00 0.00 0.00 0.00 44.72 43.92 1pcf s GLY 99 CO 0.46 -1.11 1.63 3.21 0.00 0.00 0.00 173.10 177.30 1pcf h ARG 100 N -0.34 0.00 -5.17 2.90 3.08 -1.96 -3.42 114.38 109.48 1pcf h ARG 100 Ca -0.38 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 58.99 1pcf h ARG 100 Cb 1.28 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.16 1pcf h ARG 100 CO 0.45 0.42 0.96 0.15 -1.07 0.00 0.00 179.97 180.88 1pcf s LYS 101 N -3.37 3.63 0.23 0.04 1.02 -1.26 -4.91 119.74 115.12 1pcf s LYS 101 Ca 0.01 -1.72 -0.21 0.00 0.02 0.00 0.00 55.97 54.07 1pcf s LYS 101 Cb 0.10 -4.99 0.06 0.00 -0.52 0.00 0.00 37.83 32.48 1pcf s LYS 101 CO 0.70 -1.84 0.93 0.20 -0.92 0.00 0.00 175.35 174.43 1pcf s GLY 102 N 3.78 0.06 -0.08 -3.33 0.00 -1.26 -1.35 107.32 105.15 1pcf s GLY 102 Ca 0.35 -0.31 -0.05 0.00 0.00 0.00 0.00 44.72 44.71 1pcf s GLY 102 CO -0.09 0.85 0.19 -1.50 0.00 0.00 0.00 173.10 172.55 1pcf s ILE 103 N -2.68 -0.02 -0.33 0.90 2.07 -0.29 -4.98 121.20 115.87 1pcf s ILE 103 Ca 0.17 0.07 -0.13 0.00 -1.41 0.00 0.00 60.65 59.35 1pcf s ILE 103 Cb -0.03 -0.28 -0.02 0.00 0.13 0.00 0.00 42.46 42.25 1pcf s ILE 103 CO 0.06 0.03 0.24 -0.44 -1.91 0.00 0.00 174.94 172.92 1pcf s SER 104 N 0.56 6.07 -0.03 4.50 0.01 -1.26 -0.98 113.70 122.57 1pcf s SER 104 Ca -0.04 -0.34 -0.02 0.00 1.31 0.00 0.00 55.95 56.87 1pcf s SER 104 Cb -0.05 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 1pcf s SER 104 CO -0.03 -0.21 0.10 -0.76 0.41 0.00 0.00 173.24 172.75 1pcf s LEU 105 N 1.75 4.04 0.74 2.44 1.43 0.45 -4.93 118.68 124.60 1pcf s LEU 105 Ca 0.07 0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 53.33 1pcf s LEU 105 Cb -0.17 -2.28 0.09 0.00 0.03 0.00 0.00 46.19 43.86 1pcf s LEU 105 CO 0.11 0.30 1.05 0.54 0.23 0.00 0.00 176.35 178.58 1pcf s ASN 106 N -1.61 4.48 0.38 2.29 2.20 -1.26 -0.20 114.94 121.20 1pcf s ASN 106 Ca 0.22 0.28 0.06 0.00 -0.94 0.00 0.00 52.86 52.48 1pcf s ASN 106 Cb -0.12 -0.79 0.74 0.00 -2.00 0.00 0.00 41.25 39.08 1pcf s ASN 106 CO 0.13 -1.81 1.97 -0.65 -2.94 0.00 0.00 177.10 173.79 1pcf h PRO 107 N -0.74 0.52 -0.44 3.55 0.11 -1.98 -0.97 132.00 132.06 1pcf h PRO 107 Ca -0.43 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1pcf h PRO 107 Cb 1.29 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1pcf h PRO 107 CO 0.53 0.45 -0.05 1.49 -0.21 0.00 0.00 178.00 180.21 1pcf h GLU 108 N 0.52 0.81 -0.44 1.05 4.81 -1.96 -0.74 114.58 118.63 1pcf h GLU 108 Ca 0.13 -0.29 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 1pcf h GLU 108 Cb 0.13 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1pcf h GLU 108 CO -0.01 0.90 -0.21 1.96 -0.73 0.00 0.00 179.01 180.92 1pcf h GLN 109 N 0.64 0.88 -0.65 1.92 4.20 -1.70 -1.87 115.11 118.54 1pcf h GLN 109 Ca 0.12 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 58.47 1pcf h GLN 109 Cb 0.57 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1pcf h GLN 109 CO 0.03 1.01 0.43 2.35 -0.67 0.00 0.00 178.83 181.98 1pcf h TRP 110 N 0.77 0.82 -0.30 2.96 2.91 -1.17 -0.96 115.95 120.98 1pcf h TRP 110 Ca 0.10 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 1pcf h TRP 110 Cb 0.76 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 29.11 1pcf h TRP 110 CO 0.04 0.52 0.13 1.03 -1.03 0.00 0.00 178.44 179.13 1pcf h SER 111 N 0.88 0.37 0.52 2.65 0.87 -0.87 -0.85 113.55 117.12 1pcf h SER 111 Ca 0.24 -0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.60 1pcf h SER 111 Cb -0.10 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 1pcf h SER 111 CO -0.05 0.33 -0.73 1.56 -0.53 0.00 0.00 176.83 177.41 1pcf h GLN 112 N 0.41 0.17 -0.72 2.24 4.20 -0.91 -0.87 115.11 119.63 1pcf h GLN 112 Ca 0.11 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1pcf h GLN 112 Cb 0.07 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1pcf h GLN 112 CO -0.01 0.82 0.32 1.25 -0.67 0.00 0.00 178.83 180.54 1pcf h LEU 113 N 0.11 0.96 -0.76 1.46 5.85 -0.70 -2.25 115.31 119.98 1pcf h LEU 113 Ca -0.02 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 1pcf h LEU 113 Cb 1.29 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1pcf h LEU 113 CO 0.11 0.84 -0.21 0.11 -0.34 0.00 0.00 178.44 178.95 1pcf h LYS 114 N 1.01 0.72 0.00 1.25 1.57 -0.61 -1.96 116.57 118.55 1pcf h LYS 114 Ca 0.24 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1pcf h LYS 114 Cb 0.15 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1pcf h LYS 114 CO -0.03 0.87 -0.13 0.93 -0.57 0.00 0.00 179.45 180.53 1pcf h GLU 115 N 0.63 0.00 -0.44 3.15 5.08 -1.00 -2.38 114.58 119.61 1pcf h GLU 115 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1pcf h GLU 115 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1pcf h GLU 115 CO 0.05 0.13 0.00 1.04 -1.00 0.00 0.00 179.01 179.23 1pcf n GLN 116 N -3.71 2.38 -0.16 2.33 1.13 -0.76 -4.49 117.38 114.10 1pcf n GLN 116 Ca -0.02 -2.10 -0.07 0.00 -1.94 0.00 0.00 57.00 52.87 1pcf n GLN 116 Cb 0.24 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 29.12 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 1.08 -0.50 5.09 2.04 -1.21 0.88 117.51 128.74 1pcf h ILE 117 Ca 0.00 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1pcf h ILE 117 Cb 0.86 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1pcf h ILE 117 CO 0.00 0.11 0.26 -1.28 0.00 0.00 0.00 178.15 177.24 1pcf h SER 118 N 0.59 0.39 -0.50 1.72 0.87 -1.82 0.14 113.55 114.94 1pcf h SER 118 Ca 0.18 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.70 1pcf h SER 118 Cb -0.02 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1pcf h SER 118 CO -0.07 0.27 0.08 0.44 -0.53 0.00 0.00 176.83 177.02 1pcf h ASP 119 N 0.51 0.85 -0.31 6.23 3.32 -1.67 -1.00 116.42 124.35 1pcf h ASP 119 Ca 0.21 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1pcf h ASP 119 Cb 0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1pcf h ASP 119 CO -0.14 0.86 -0.00 0.40 -1.72 0.00 0.00 179.24 178.64 1pcf h ILE 120 N 0.84 1.26 -0.98 0.35 2.04 -0.22 -1.74 117.51 119.06 1pcf h ILE 120 Ca 0.17 -0.95 0.04 0.00 1.00 0.00 0.00 64.86 65.12 1pcf h ILE 120 Cb 0.39 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 1pcf h ILE 120 CO 0.01 0.31 0.64 0.44 0.00 0.00 0.00 178.15 179.55 1pcf h ASP 121 N 0.35 1.06 -0.71 1.72 3.32 -0.64 0.53 116.42 122.04 1pcf h ASP 121 Ca 0.09 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1pcf h ASP 121 Cb 0.44 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1pcf h ASP 121 CO 0.02 0.71 0.16 0.44 -1.72 0.00 0.00 179.24 178.85 1pcf h ASP 122 N 1.22 1.08 -0.39 6.45 3.32 -0.80 -0.60 116.42 126.70 1pcf h ASP 122 Ca 0.40 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 57.07 1pcf h ASP 122 Cb 0.04 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1pcf h ASP 122 CO -0.13 1.04 -0.28 0.00 -1.72 0.00 0.00 179.24 178.15 1pcf h ALA 123 N 1.09 0.69 -0.25 3.45 0.00 -0.67 -2.59 119.26 120.98 1pcf h ALA 123 Ca 0.22 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1pcf h ALA 123 Cb 0.39 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1pcf h ALA 123 CO 0.00 0.67 0.07 0.28 0.00 0.00 0.00 179.25 180.28 1pcf h VAL 124 N 0.78 0.92 -0.69 0.00 2.07 -0.76 -3.07 116.25 115.50 1pcf h VAL 124 Ca 0.09 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1pcf h VAL 124 Cb 0.85 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1pcf h VAL 124 CO 0.08 0.03 0.46 -0.09 0.02 0.00 0.00 177.57 178.07 1pcf h ARG 125 N 0.18 0.85 0.00 1.57 2.43 -0.75 -2.72 114.38 115.94 1pcf h ARG 125 Ca 0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1pcf h ARG 125 Cb 0.09 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1pcf h ARG 125 CO -0.13 0.56 0.00 1.63 -1.51 0.00 0.00 179.97 180.52 1pcf n LYS 126 N -4.45 0.23 0.00 0.20 5.02 -1.01 -5.11 118.16 113.05 1pcf n LYS 126 Ca 0.08 0.32 0.16 0.00 -2.02 0.00 0.00 58.31 56.85 1pcf n LYS 126 Cb 0.09 -1.84 0.88 0.00 -0.02 0.00 0.00 35.03 34.14 1pcf n LYS 126 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16