#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dno s SER 60 N 0.00 -0.42 -0.07 1.61 0.01 -1.26 -5.13 113.70 108.44 2dno s SER 60 Ca 0.00 0.43 -0.30 0.00 1.31 0.00 0.00 55.95 57.39 2dno s SER 60 Cb 0.00 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 2dno s SER 60 CO 0.00 -0.50 1.37 -0.55 0.41 0.00 0.00 173.24 173.97 2dno s SER 61 N -1.17 6.88 0.80 2.44 0.15 -1.26 -4.97 113.70 116.57 2dno s SER 61 Ca -0.12 1.96 -0.15 0.00 0.70 0.00 0.00 55.95 58.34 2dno s SER 61 Cb -0.03 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 2dno s SER 61 CO 0.07 -0.74 0.36 0.61 1.20 0.00 0.00 173.24 174.74 2dno n GLY 62 N 3.67 -1.98 3.88 9.45 0.00 -1.26 -4.97 105.19 113.98 2dno n GLY 62 Ca 0.14 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 2dno n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dno s SER 63 N -1.57 6.54 0.18 1.61 1.04 -1.26 -5.06 113.70 115.18 2dno s SER 63 Ca 0.61 0.63 -0.23 0.00 0.48 0.00 0.00 55.95 57.44 2dno s SER 63 Cb -0.30 -2.11 0.06 0.00 0.10 0.00 0.00 66.02 63.76 2dno s SER 63 CO 0.63 0.18 0.63 -0.44 0.98 0.00 0.00 173.24 175.22 2dno s SER 64 N -1.91 -0.50 -0.05 7.02 0.01 -1.26 -5.17 113.70 111.84 2dno s SER 64 Ca 0.33 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2dno s SER 64 Cb -0.13 0.63 0.02 0.00 0.21 0.00 0.00 66.02 66.75 2dno s SER 64 CO 0.19 -1.05 -0.03 -0.83 0.41 0.00 0.00 173.24 171.93 2dno s GLY 65 N -2.78 0.45 0.11 3.44 0.00 -1.26 -5.05 107.32 102.23 2dno s GLY 65 Ca 0.03 -0.07 -0.33 0.00 0.00 0.00 0.00 44.72 44.35 2dno s GLY 65 CO -0.09 0.65 1.54 0.23 0.00 0.00 0.00 173.10 175.43 2dno h SER 66 N 7.52 -1.66 -3.41 1.64 0.87 -2.02 -3.46 113.55 113.03 2dno h SER 66 Ca -0.33 0.19 -0.18 0.00 -1.23 0.00 0.00 61.79 60.24 2dno h SER 66 Cb 1.14 0.64 0.07 0.00 -0.44 0.00 0.00 62.40 63.82 2dno h SER 66 CO 0.41 -0.48 -0.33 -1.14 -0.53 0.00 0.00 176.83 174.76 2dno n ARG 67 N -5.35 -3.58 -2.61 2.24 0.63 -1.26 -4.98 116.66 101.75 2dno n ARG 67 Ca -0.06 0.39 -0.11 0.00 -0.92 0.00 0.00 57.85 57.15 2dno n ARG 67 Cb 0.37 -4.09 0.03 0.00 0.45 0.00 0.00 32.46 29.22 2dno n ARG 67 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2dno n GLY 68 N -1.17 2.88 4.28 5.14 0.00 -1.26 -4.97 105.19 110.08 2dno n GLY 68 Ca -0.04 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 2dno n GLY 68 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dno n GLU 69 N -0.38 -0.85 -4.27 1.61 0.28 -1.26 -4.91 120.64 110.86 2dno n GLU 69 Ca 0.17 0.10 -0.18 0.00 -0.16 0.00 0.00 57.16 57.10 2dno n GLU 69 Cb 0.81 -3.83 -0.11 0.00 1.43 0.00 0.00 31.44 29.74 2dno n GLU 69 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2dno s ASP 70 N -3.79 2.16 0.00 -1.84 1.47 -1.26 -5.06 116.67 108.34 2dno s ASP 70 Ca 0.34 -0.87 0.00 0.00 1.18 0.00 0.00 52.55 53.20 2dno s ASP 70 Cb -0.20 -0.08 0.00 0.00 -0.34 0.00 0.00 42.92 42.30 2dno s ASP 70 CO 0.95 -0.15 0.00 0.54 0.68 0.00 0.00 175.17 177.19 2dno n ARG 71 N 0.28 0.00 -1.00 2.11 1.74 -1.26 -4.80 116.66 113.73 2dno n ARG 71 Ca -0.13 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.63 2dno n ARG 71 Cb 0.58 -0.32 0.01 0.00 -1.02 0.00 0.00 32.46 31.71 2dno n ARG 71 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2dno n LYS 72 N -2.73 0.00 -4.07 5.56 4.81 -1.26 -4.52 118.16 115.95 2dno n LYS 72 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 2dno n LYS 72 Cb 0.28 -0.84 -0.12 0.00 0.02 0.00 0.00 35.03 34.38 2dno n LYS 72 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2dno s LEU 73 N 4.74 2.21 -0.26 3.14 1.43 0.14 -2.52 118.68 127.56 2dno s LEU 73 Ca 0.45 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 2dno s LEU 73 Cb -0.36 -0.16 -0.05 0.00 0.03 0.00 0.00 46.19 45.65 2dno s LEU 73 CO 0.58 -0.16 0.19 0.12 0.23 0.00 0.00 176.35 177.32 2dno s PHE 74 N -1.13 3.27 -0.20 0.29 5.36 0.26 -1.94 117.98 123.88 2dno s PHE 74 Ca -0.08 0.19 -0.03 0.00 -0.96 0.00 0.00 56.93 56.05 2dno s PHE 74 Cb -0.08 -2.35 -0.00 0.00 -0.34 0.00 0.00 43.02 40.25 2dno s PHE 74 CO 0.00 -0.06 -0.08 0.08 -1.46 0.00 0.00 175.22 173.70 2dno s VAL 75 N 1.46 3.12 0.33 3.12 1.01 -0.57 -1.44 120.40 127.43 2dno s VAL 75 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2dno s VAL 75 Cb -0.15 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.84 2dno s VAL 75 CO 0.08 0.46 0.03 0.61 0.00 0.00 0.00 175.10 176.28 2dno n GLY 76 N 4.56 3.69 2.69 4.51 0.00 0.62 -1.58 105.19 119.68 2dno n GLY 76 Ca -0.19 -2.31 -0.20 0.00 0.00 0.00 0.00 46.02 43.32 2dno n GLY 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dno n MET 77 N -0.86 -3.32 -2.74 1.61 2.81 -1.22 -2.87 117.12 110.53 2dno n MET 77 Ca -0.12 0.90 -0.26 0.00 -1.81 0.00 0.00 57.70 56.41 2dno n MET 77 Cb 0.41 -5.58 0.01 0.00 -0.71 0.00 0.00 33.22 27.35 2dno n MET 77 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2dno s LEU 78 N -6.02 3.59 0.22 4.03 1.43 -1.22 -4.73 118.68 115.98 2dno s LEU 78 Ca 0.16 0.70 0.11 0.00 -1.03 0.00 0.00 54.13 54.08 2dno s LEU 78 Cb -0.07 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 2dno s LEU 78 CO 0.20 -0.68 -0.22 -0.83 0.23 0.00 0.00 176.35 175.06 2dno s GLY 79 N -4.16 1.72 0.15 -3.19 0.00 -1.26 -4.65 107.32 95.93 2dno s GLY 79 Ca 0.48 -1.71 -0.21 0.00 0.00 0.00 0.00 44.72 43.28 2dno s GLY 79 CO 0.43 -1.76 1.65 1.70 0.00 0.00 0.00 173.10 175.11 2dno h LYS 80 N 2.85 -0.17 -0.93 2.90 3.64 -1.90 -2.34 116.57 120.63 2dno h LYS 80 Ca -0.43 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.11 2dno h LYS 80 Cb 1.23 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.93 2dno h LYS 80 CO 0.53 -0.11 -0.38 0.37 -2.27 0.00 0.00 179.45 177.59 2dno h GLN 81 N -0.17 -0.03 -7.03 1.90 -0.00 -1.96 -3.39 115.11 104.42 2dno h GLN 81 Ca 0.13 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 58.27 2dno h GLN 81 Cb 0.38 0.01 0.08 0.00 0.00 0.00 0.00 27.48 27.94 2dno h GLN 81 CO -0.34 -0.02 0.49 -0.65 0.00 0.00 0.00 178.83 178.31 2dno s GLN 82 N -5.96 3.51 0.32 1.69 -1.52 -0.88 -5.04 119.66 111.77 2dno s GLN 82 Ca -0.14 1.82 0.06 0.00 -1.95 0.00 0.00 55.36 55.15 2dno s GLN 82 Cb 0.20 -2.26 -0.03 0.00 -0.22 0.00 0.00 33.01 30.70 2dno s GLN 82 CO 0.71 -0.77 0.24 -0.08 -0.25 0.00 0.00 175.29 175.14 2dno s THR 83 N -1.55 0.07 0.24 -0.19 -1.32 -1.26 -4.78 115.64 106.85 2dno s THR 83 Ca 0.68 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 59.08 2dno s THR 83 Cb -0.30 -2.48 0.26 0.00 -1.51 0.00 0.00 72.50 68.47 2dno s THR 83 CO 0.35 0.00 1.64 -2.24 -2.21 0.00 0.00 174.62 172.16 2dno h ASP 84 N 2.18 -0.32 -0.32 8.08 3.04 -1.97 -0.10 116.42 127.01 2dno h ASP 84 Ca -0.28 0.18 0.07 0.00 -3.24 0.00 0.00 57.03 53.76 2dno h ASP 84 Cb 1.24 0.32 -0.07 0.00 -1.04 0.00 0.00 39.33 39.78 2dno h ASP 84 CO 0.41 -0.16 -0.14 -0.33 -2.04 0.00 0.00 179.24 176.98 2dno h GLU 85 N 0.11 -0.09 0.19 4.15 5.08 -1.98 0.51 114.58 122.55 2dno h GLU 85 Ca 0.39 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 2dno h GLU 85 Cb 0.68 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2dno h GLU 85 CO -0.63 -0.06 -0.10 -0.44 -1.00 0.00 0.00 179.01 176.78 2dno h ASP 86 N -0.09 -0.23 -0.95 1.42 3.32 -1.46 -0.82 116.42 117.61 2dno h ASP 86 Ca 0.16 0.01 0.20 0.00 0.02 0.00 0.00 57.03 57.43 2dno h ASP 86 Cb 0.34 0.06 -0.18 0.00 0.22 0.00 0.00 39.33 39.77 2dno h ASP 86 CO -0.38 -0.16 -0.18 0.58 -1.72 0.00 0.00 179.24 177.39 2dno h VAL 87 N -0.26 0.06 0.57 -1.35 2.07 -1.18 0.90 116.25 117.06 2dno h VAL 87 Ca -0.03 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2dno h VAL 87 Cb 0.20 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2dno h VAL 87 CO 0.04 0.00 -0.43 -0.09 0.02 0.00 0.00 177.57 177.11 2dno h ARG 88 N 0.01 -0.94 0.00 1.57 2.43 -0.82 0.49 114.38 117.11 2dno h ARG 88 Ca 0.48 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.71 2dno h ARG 88 Cb 0.79 0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 2dno h ARG 88 CO -0.95 -0.63 -0.01 0.87 -1.51 0.00 0.00 179.97 177.74 2dno h LYS 89 N -0.98 0.00 0.00 0.20 1.57 0.51 0.16 116.57 118.04 2dno h LYS 89 Ca -0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2dno h LYS 89 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 2dno h LYS 89 CO 0.01 0.01 -0.79 1.98 -0.57 0.00 0.00 179.45 180.09 2dno h MET 90 N 0.00 0.00 0.00 3.15 4.05 0.17 -3.32 114.93 118.98 2dno h MET 90 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2dno h MET 90 Cb 0.18 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 2dno h MET 90 CO 0.00 0.08 -1.45 1.19 0.23 0.00 0.00 176.91 176.96 2dno n PHE 91 N -2.85 0.04 -0.24 1.39 3.01 0.16 -4.34 117.46 114.63 2dno n PHE 91 Ca -0.00 0.01 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 2dno n PHE 91 Cb 0.60 -0.28 0.04 0.00 -0.01 0.00 0.00 39.48 39.84 2dno n PHE 91 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2dno h GLU 92 N 0.00 0.97 0.00 -1.08 5.08 -0.84 -2.46 114.58 116.24 2dno h GLU 92 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2dno h GLU 92 Cb 0.75 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2dno h GLU 92 CO 0.00 0.78 0.44 -2.30 -1.00 0.00 0.00 179.01 176.93 2dno n PRO 93 N -4.45 0.06 -0.79 2.33 -0.02 -1.26 0.12 135.00 130.98 2dno n PRO 93 Ca 0.05 0.52 0.01 0.00 -2.02 0.00 0.00 63.50 62.05 2dno n PRO 93 Cb 0.14 -2.14 0.19 0.00 -0.02 0.00 0.00 33.50 31.67 2dno n PRO 93 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2dno n PHE 94 N -1.91 0.50 0.00 6.00 3.72 -0.93 -5.06 117.46 119.79 2dno n PHE 94 Ca -0.01 -1.61 0.00 0.00 -0.05 0.00 0.00 57.45 55.79 2dno n PHE 94 Cb 0.45 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 2dno n PHE 94 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dno n GLY 95 N -1.08 1.68 3.78 1.37 0.00 0.32 -4.33 105.19 106.93 2dno n GLY 95 Ca 0.24 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 2dno n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dno s THR 96 N -1.42 5.07 -0.24 2.61 2.01 -1.26 -4.04 115.64 118.37 2dno s THR 96 Ca 0.00 0.93 -0.14 0.00 0.31 0.00 0.00 61.69 62.80 2dno s THR 96 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2dno s THR 96 CO 0.00 0.45 0.30 -0.63 -0.69 0.00 0.00 174.62 174.05 2dno s ILE 97 N -0.24 5.25 -0.04 1.82 1.01 -1.26 -0.31 121.20 127.44 2dno s ILE 97 Ca 0.25 0.46 -0.22 0.00 0.00 0.00 0.00 60.65 61.14 2dno s ILE 97 Cb -0.16 -3.63 -0.27 0.00 0.01 0.00 0.00 42.46 38.41 2dno s ILE 97 CO 0.12 0.26 0.98 -0.78 0.00 0.00 0.00 174.94 175.52 2dno h ASP 98 N 7.71 0.41 -5.11 3.58 3.58 -0.45 -3.45 116.42 122.70 2dno h ASP 98 Ca -0.35 -0.86 -0.13 0.00 0.42 0.00 0.00 57.03 56.11 2dno h ASP 98 Cb 1.17 -0.13 -0.17 0.00 1.72 0.00 0.00 39.33 41.91 2dno h ASP 98 CO 0.66 1.23 -0.58 -0.70 -2.88 0.00 0.00 179.24 176.97 2dno s GLU 99 N -2.80 0.56 -0.28 0.28 2.56 -0.75 -5.02 118.70 113.25 2dno s GLU 99 Ca -0.14 -0.84 -0.17 0.00 0.00 0.00 0.00 54.97 53.81 2dno s GLU 99 Cb 0.01 0.21 0.08 0.00 2.00 0.00 0.00 34.13 36.44 2dno s GLU 99 CO 0.80 -0.13 0.72 0.00 -0.56 0.00 0.00 175.26 176.09 2dno s THR 101 N 1.48 -0.02 -0.12 0.00 2.01 -0.65 -5.03 115.64 113.31 2dno s THR 101 Ca -0.09 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.88 2dno s THR 101 Cb -0.05 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 2dno s THR 101 CO -0.17 0.02 0.18 -0.69 -0.69 0.00 0.00 174.62 173.27 2dno s VAL 102 N 0.63 5.42 0.25 3.82 1.01 -1.26 -0.78 120.40 129.49 2dno s VAL 102 Ca -0.04 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 2dno s VAL 102 Cb -0.05 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 32.78 2dno s VAL 102 CO -0.04 0.57 0.69 -0.76 0.00 0.00 0.00 175.10 175.56 2dno s LEU 103 N -0.67 4.23 0.19 3.92 1.43 -0.78 -4.98 118.68 122.01 2dno s LEU 103 Ca 0.15 1.28 -0.02 0.00 -1.03 0.00 0.00 54.13 54.51 2dno s LEU 103 Cb -0.12 -3.72 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 2dno s LEU 103 CO 0.04 -0.05 0.14 -0.13 0.23 0.00 0.00 176.35 176.58 2dno s ARG 104 N -2.39 1.16 0.00 1.70 0.52 -1.26 -2.90 118.95 115.78 2dno s ARG 104 Ca 0.46 -1.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 2dno s ARG 104 Cb -0.14 0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.61 2dno s ARG 104 CO 0.19 -0.38 0.00 0.41 0.02 0.00 0.00 175.30 175.54 2dno n GLY 105 N -0.24 1.22 0.10 -3.53 0.00 -1.00 -4.81 105.19 96.93 2dno n GLY 105 Ca -0.00 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.25 2dno n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dno h PRO 106 N 0.00 0.17 -0.70 1.61 0.13 -2.03 -3.33 132.00 127.85 2dno h PRO 106 Ca 0.00 -0.22 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 2dno h PRO 106 Cb 0.00 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.17 2dno h PRO 106 CO 0.00 1.00 0.27 -0.44 -0.23 0.00 0.00 178.00 178.60 2dno h ASP 107 N -0.56 0.98 0.00 1.44 3.32 -2.07 -3.47 116.42 116.07 2dno h ASP 107 Ca -0.05 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2dno h ASP 107 Cb 1.13 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.42 2dno h ASP 107 CO 0.06 0.89 0.00 0.61 -1.72 0.00 0.00 179.24 179.08 2dno n GLY 108 N -0.83 1.31 3.62 2.75 0.00 -1.25 -5.15 105.19 105.65 2dno n GLY 108 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 2dno n GLY 108 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dno s THR 109 N -1.99 3.60 -0.61 2.61 -1.32 -1.26 -4.89 115.64 111.78 2dno s THR 109 Ca 0.00 -1.26 -0.26 0.00 -1.21 0.00 0.00 61.69 58.96 2dno s THR 109 Cb 0.00 -2.73 -0.09 0.00 -1.51 0.00 0.00 72.50 68.17 2dno s THR 109 CO 0.00 0.05 2.40 -0.55 -2.21 0.00 0.00 174.62 174.31 2dno s SER 110 N -2.44 4.24 0.55 8.08 0.15 -1.26 -2.37 113.70 120.65 2dno s SER 110 Ca 0.24 0.68 0.36 0.00 0.70 0.00 0.00 55.95 57.92 2dno s SER 110 Cb -0.11 -2.52 1.52 0.00 -1.71 0.00 0.00 66.02 63.20 2dno s SER 110 CO 0.16 -3.25 1.79 0.11 1.20 0.00 0.00 173.24 173.25 2dno h LYS 111 N 16.96 0.00 0.00 5.44 1.79 -1.84 -3.43 116.57 135.48 2dno h LYS 111 Ca -0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 2dno h LYS 111 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2dno h LYS 111 CO 1.10 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.88 2dno n GLY 112 N -1.74 1.97 3.50 3.86 0.00 -1.26 -5.03 105.19 106.49 2dno n GLY 112 Ca 0.24 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 2dno n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dno s ALA 114 N -0.95 -0.33 -0.14 0.00 0.00 -0.62 -1.87 121.76 117.85 2dno s ALA 114 Ca -0.09 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 2dno s ALA 114 Cb -0.01 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 2dno s ALA 114 CO 0.08 -0.45 -0.11 -0.06 0.00 0.00 0.00 175.76 175.22 2dno s PHE 115 N -3.29 2.86 -0.10 0.00 0.08 0.04 -1.51 117.98 116.07 2dno s PHE 115 Ca 0.00 -0.62 0.04 0.00 0.12 0.00 0.00 56.93 56.47 2dno s PHE 115 Cb 0.02 -1.89 -0.00 0.00 -0.57 0.00 0.00 43.02 40.58 2dno s PHE 115 CO -0.08 -0.22 -0.24 0.08 -0.10 0.00 0.00 175.22 174.66 2dno s VAL 116 N 0.47 2.07 -0.34 -0.44 1.01 -0.82 -1.64 120.40 120.72 2dno s VAL 116 Ca -0.08 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 2dno s VAL 116 Cb -0.15 -1.79 0.07 0.00 0.00 0.00 0.00 36.38 34.51 2dno s VAL 116 CO 0.04 0.56 0.06 -0.75 0.00 0.00 0.00 175.10 175.01 2dno s LYS 117 N 0.34 2.19 0.51 2.72 2.20 0.83 0.27 119.74 128.80 2dno s LYS 117 Ca -0.19 -1.50 -0.19 0.00 -0.36 0.00 0.00 55.97 53.73 2dno s LYS 117 Cb -0.18 -3.30 -0.07 0.00 -1.51 0.00 0.00 37.83 32.77 2dno s LYS 117 CO 0.09 -0.79 1.03 -0.06 -0.36 0.00 0.00 175.35 175.26 2dno s PHE 118 N 1.17 3.08 0.39 4.03 0.40 -1.26 0.23 117.98 126.03 2dno s PHE 118 Ca 0.01 1.55 0.14 0.00 -0.60 0.00 0.00 56.93 58.03 2dno s PHE 118 Cb -0.21 -3.00 0.98 0.00 0.51 0.00 0.00 43.02 41.31 2dno s PHE 118 CO -0.03 -0.78 1.86 0.37 0.70 0.00 0.00 175.22 177.35 2dno h GLN 119 N 1.23 0.50 -4.14 0.44 5.75 -0.97 -3.41 115.11 114.50 2dno h GLN 119 Ca -0.48 -0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 57.84 2dno h GLN 119 Cb 1.21 -0.11 -0.13 0.00 1.07 0.00 0.00 27.48 29.52 2dno h GLN 119 CO 0.59 0.33 -0.45 0.95 -2.65 0.00 0.00 178.83 177.60 2dno s THR 120 N -5.52 0.06 0.04 2.39 -4.23 -1.26 -4.97 115.64 102.14 2dno s THR 120 Ca -0.09 -1.65 -0.26 0.00 -1.18 0.00 0.00 61.69 58.51 2dno s THR 120 Cb 0.22 -2.05 -0.17 0.00 1.34 0.00 0.00 72.50 71.84 2dno s THR 120 CO 0.78 -0.26 1.46 -0.74 -0.54 0.00 0.00 174.62 175.32 2dno h HIS 121 N 2.62 -0.36 -0.16 3.99 -0.00 -1.87 -2.95 115.15 116.42 2dno h HIS 121 Ca -0.33 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.05 2dno h HIS 121 Cb 1.23 0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.73 2dno h HIS 121 CO 0.40 -0.10 -0.10 0.00 -0.00 0.00 0.00 177.93 178.13 2dno n ALA 122 N -2.36 -0.10 -0.10 5.26 0.00 -1.26 -0.54 120.51 121.40 2dno n ALA 122 Ca -0.10 0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 2dno n ALA 122 Cb 0.23 0.28 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 2dno n ALA 122 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dno h GLU 123 N 0.00 -0.28 -1.07 0.00 3.07 -1.84 0.64 114.58 115.10 2dno h GLU 123 Ca 0.03 0.02 0.40 0.00 -0.50 0.00 0.00 59.36 59.30 2dno h GLU 123 Cb 0.07 0.06 -0.16 0.00 -0.84 0.00 0.00 28.75 27.88 2dno h GLU 123 CO -0.15 -0.19 0.62 0.00 -1.40 0.00 0.00 179.01 177.89 2dno h ALA 124 N 0.64 2.24 -0.15 3.43 0.00 -0.63 1.09 119.26 125.87 2dno h ALA 124 Ca 0.15 0.22 -0.20 0.00 0.00 0.00 0.00 54.91 55.07 2dno h ALA 124 Cb 0.55 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2dno h ALA 124 CO -0.51 -0.95 -0.72 0.37 0.00 0.00 0.00 179.25 177.45 2dno h GLN 125 N 0.10 0.67 0.20 0.00 -0.00 0.34 -3.18 115.11 113.25 2dno h GLN 125 Ca 0.82 -0.52 0.01 0.00 -0.00 0.00 0.00 58.65 58.96 2dno h GLN 125 Cb 2.17 0.10 -0.04 0.00 0.00 0.00 0.00 27.48 29.71 2dno h GLN 125 CO -0.65 1.14 -0.42 0.00 0.00 0.00 0.00 178.83 178.90 2dno h ALA 126 N 0.72 -0.79 0.03 3.38 0.00 0.19 -0.94 119.26 121.85 2dno h ALA 126 Ca -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2dno h ALA 126 Cb 1.32 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 2dno h ALA 126 CO 0.14 -1.01 -0.22 0.00 0.00 0.00 0.00 179.25 178.16 2dno h ALA 127 N -0.27 -0.72 -0.81 0.00 0.00 -1.52 -2.75 119.26 113.18 2dno h ALA 127 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2dno h ALA 127 Cb 0.70 0.66 -0.12 0.00 0.00 0.00 0.00 17.79 19.03 2dno h ALA 127 CO -0.20 -0.78 -0.53 0.82 0.00 0.00 0.00 179.25 178.56 2dno h ILE 128 N -0.31 0.02 -1.09 0.00 2.04 -1.52 1.65 117.51 118.29 2dno h ILE 128 Ca -0.00 0.00 0.43 0.00 1.00 0.00 0.00 64.86 66.29 2dno h ILE 128 Cb 0.31 0.02 -0.17 0.00 -0.74 0.00 0.00 36.82 36.24 2dno h ILE 128 CO -0.13 0.00 0.62 -3.20 0.00 0.00 0.00 178.15 175.44 2dno n ASN 129 N -5.34 0.31 0.00 1.72 5.15 -0.36 -0.53 115.26 116.21 2dno n ASN 129 Ca 0.02 1.58 0.00 0.00 -0.60 0.00 0.00 54.58 55.58 2dno n ASN 129 Cb 0.31 -0.77 0.00 0.00 -0.53 0.00 0.00 39.78 38.79 2dno n ASN 129 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2dno n THR 130 N -5.11 0.00 -0.29 -0.44 -1.04 0.18 -4.67 114.28 102.91 2dno n THR 130 Ca 0.38 0.32 0.01 0.00 -2.04 0.00 0.00 64.05 62.72 2dno n THR 130 Cb 1.35 -1.31 0.05 0.00 -1.82 0.00 0.00 70.33 68.61 2dno n THR 130 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2dno n LEU 131 N -2.19 -0.44 -4.65 -4.42 4.77 0.51 -4.05 117.00 106.52 2dno n LEU 131 Ca 0.00 1.34 -0.66 0.00 -0.03 0.00 0.00 56.01 56.67 2dno n LEU 131 Cb 0.00 -0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 40.65 2dno n LEU 131 CO 0.00 -1.23 1.28 1.57 -1.33 0.00 0.00 177.39 177.68 2dno n HIS 132 N -5.17 1.67 -3.84 -1.77 -0.00 0.31 0.62 115.22 107.03 2dno n HIS 132 Ca 0.09 1.02 -0.25 0.00 0.46 0.00 0.00 57.72 59.05 2dno n HIS 132 Cb 0.33 -2.26 0.01 0.00 -0.12 0.00 0.00 29.99 27.95 2dno n HIS 132 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2dno n SER 133 N 4.83 -1.66 0.00 0.26 2.88 0.06 -4.93 113.62 115.06 2dno n SER 133 Ca 0.35 -0.88 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 2dno n SER 133 Cb -0.04 -3.66 0.00 0.00 -0.75 0.00 0.00 64.21 59.76 2dno n SER 133 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dno n SER 134 N -2.98 0.00 -5.01 -3.46 2.88 0.20 -4.92 113.62 100.33 2dno n SER 134 Ca -0.22 0.01 -0.18 0.00 -1.33 0.00 0.00 58.87 57.15 2dno n SER 134 Cb 0.64 -0.33 0.03 0.00 -0.75 0.00 0.00 64.21 63.81 2dno n SER 134 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dno s ARG 135 N -0.65 2.63 -0.57 -1.46 1.70 -1.26 -4.93 118.95 114.41 2dno s ARG 135 Ca 0.00 -1.36 0.05 0.00 -0.47 0.00 0.00 55.73 53.96 2dno s ARG 135 Cb 0.00 -2.71 0.20 0.00 -0.57 0.00 0.00 34.95 31.87 2dno s ARG 135 CO 0.00 -0.49 0.50 2.41 -1.08 0.00 0.00 175.30 176.64 2dno n THR 136 N -2.01 0.68 -1.20 4.99 -1.04 -1.26 -0.97 114.28 113.47 2dno n THR 136 Ca 0.11 -4.42 -0.38 0.00 -2.04 0.00 0.00 64.05 57.31 2dno n THR 136 Cb 0.60 -1.99 0.02 0.00 -1.82 0.00 0.00 70.33 67.14 2dno n THR 136 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2dno n LEU 137 N 1.92 -3.99 -4.71 -4.42 4.77 -1.26 -4.83 117.00 104.47 2dno n LEU 137 Ca 0.25 0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 56.36 2dno n LEU 137 Cb 0.42 -0.85 -0.03 0.00 -2.33 0.00 0.00 43.42 40.64 2dno n LEU 137 CO 0.23 -4.99 0.99 -2.16 -1.33 0.00 0.00 177.39 170.13 2dno s PRO 138 N -1.29 4.37 0.00 3.23 0.04 -1.26 -3.05 135.00 137.04 2dno s PRO 138 Ca 0.54 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2dno s PRO 138 Cb -0.42 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 30.79 2dno s PRO 138 CO 0.69 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.77 2dno n GLY 139 N 3.38 0.70 3.00 0.56 0.00 -1.26 -4.77 105.19 106.80 2dno n GLY 139 Ca 0.10 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 2dno n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dno s ALA 140 N -2.00 2.18 0.00 4.61 0.00 -1.17 -4.95 121.76 120.42 2dno s ALA 140 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.51 2dno s ALA 140 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.68 2dno s ALA 140 CO 0.00 -1.08 0.44 0.45 0.00 0.00 0.00 175.76 175.56 2dno n SER 141 N 4.59 0.00 -4.83 0.00 2.88 -1.26 -4.57 113.62 110.43 2dno n SER 141 Ca -0.14 0.44 -0.22 0.00 -1.33 0.00 0.00 58.87 57.62 2dno n SER 141 Cb 0.44 -0.13 0.09 0.00 -0.75 0.00 0.00 64.21 63.86 2dno n SER 141 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dno s SER 142 N -2.33 4.68 1.32 -3.46 0.01 -1.26 -5.10 113.70 107.56 2dno s SER 142 Ca 0.00 -0.57 -0.17 0.00 1.31 0.00 0.00 55.95 56.51 2dno s SER 142 Cb 0.00 0.12 0.27 0.00 0.21 0.00 0.00 66.02 66.61 2dno s SER 142 CO 0.00 -1.63 0.67 -1.54 0.41 0.00 0.00 173.24 171.15 2dno n SER 143 N -2.57 -3.19 -4.72 2.44 3.41 -1.26 -4.77 113.62 102.95 2dno n SER 143 Ca 0.15 -0.72 -0.42 0.00 -0.26 0.00 0.00 58.87 57.62 2dno n SER 143 Cb 0.61 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 2dno n SER 143 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2dno s LEU 144 N 0.00 4.38 -0.54 1.04 2.96 -0.15 -4.80 118.68 121.58 2dno s LEU 144 Ca 0.49 2.24 -0.13 0.00 -0.22 0.00 0.00 54.13 56.52 2dno s LEU 144 Cb -0.08 -3.59 0.13 0.00 0.50 0.00 0.00 46.19 43.16 2dno s LEU 144 CO 0.41 -0.56 0.47 -0.69 -1.32 0.00 0.00 176.35 174.65 2dno s VAL 145 N 0.86 4.86 -0.19 1.68 1.01 -1.14 -0.76 120.40 126.73 2dno s VAL 145 Ca 0.61 -1.71 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 2dno s VAL 145 Cb -0.34 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 2dno s VAL 145 CO 0.32 -0.85 -0.04 -0.69 0.00 0.00 0.00 175.10 173.83 2dno s VAL 146 N 1.37 3.59 0.37 2.92 1.01 -1.26 -0.28 120.40 128.11 2dno s VAL 146 Ca 0.05 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 2dno s VAL 146 Cb -0.27 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.54 2dno s VAL 146 CO 0.01 0.45 0.62 2.29 0.00 0.00 0.00 175.10 178.46 2dno n LYS 147 N 4.24 0.89 -2.01 2.72 2.85 -0.52 -4.56 118.16 121.76 2dno n LYS 147 Ca -0.18 -2.50 -0.33 0.00 -1.05 0.00 0.00 58.31 54.25 2dno n LYS 147 Cb 0.52 2.70 0.02 0.00 -0.65 0.00 0.00 35.03 37.61 2dno n LYS 147 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2dno s PHE 148 N -2.67 2.87 -0.26 5.58 0.40 -1.26 0.89 117.98 123.53 2dno s PHE 148 Ca 0.23 1.53 -0.14 0.00 -0.60 0.00 0.00 56.93 57.94 2dno s PHE 148 Cb -0.03 -3.07 -0.04 0.00 0.51 0.00 0.00 43.02 40.39 2dno s PHE 148 CO 0.17 -1.28 0.35 0.00 0.70 0.00 0.00 175.22 175.15 2dno s ALA 149 N -2.35 3.56 0.02 5.36 0.00 -1.05 -3.86 121.76 123.45 2dno s ALA 149 Ca 0.65 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 2dno s ALA 149 Cb -0.18 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 2dno s ALA 149 CO 0.37 -0.56 1.05 0.34 0.00 0.00 0.00 175.76 176.95 2dno s ASP 150 N 1.52 7.28 0.59 0.00 -1.08 -1.26 -4.87 116.67 118.85 2dno s ASP 150 Ca 0.14 1.78 -0.03 0.00 -0.52 0.00 0.00 52.55 53.92 2dno s ASP 150 Cb -0.15 -2.57 0.03 0.00 -1.46 0.00 0.00 42.92 38.76 2dno s ASP 150 CO 0.09 -0.32 0.86 0.42 0.52 0.00 0.00 175.17 176.75 2dno s THR 151 N 0.98 3.10 -0.26 1.71 -4.23 -1.26 -5.11 115.64 110.57 2dno s THR 151 Ca 0.54 -0.31 -0.10 0.00 -1.18 0.00 0.00 61.69 60.63 2dno s THR 151 Cb -0.24 -3.23 0.11 0.00 1.34 0.00 0.00 72.50 70.48 2dno s THR 151 CO 0.29 -0.21 0.58 -1.83 -0.54 0.00 0.00 174.62 172.91 2dno s GLU 152 N -4.93 0.52 -0.28 3.99 -1.05 -1.26 -5.15 118.70 110.54 2dno s GLU 152 Ca 0.55 1.27 -0.17 0.00 -0.15 0.00 0.00 54.97 56.47 2dno s GLU 152 Cb -0.10 0.56 0.09 0.00 -0.44 0.00 0.00 34.13 34.24 2dno s GLU 152 CO 0.42 -0.20 0.74 0.21 0.95 0.00 0.00 175.26 177.38 2dno s LYS 153 N 2.52 0.67 0.32 -4.83 2.47 -1.26 -5.15 119.74 114.47 2dno s LYS 153 Ca -0.06 1.11 -0.28 0.00 -1.56 0.00 0.00 55.97 55.18 2dno s LYS 153 Cb -0.11 0.16 -0.10 0.00 -1.46 0.00 0.00 37.83 36.33 2dno s LYS 153 CO -0.17 -0.13 1.18 -1.83 0.16 0.00 0.00 175.35 174.55 2dno s GLU 154 N 1.44 4.46 0.57 4.03 -1.05 -1.26 -5.04 118.70 121.85 2dno s GLU 154 Ca -0.09 1.94 0.00 0.00 -0.15 0.00 0.00 54.97 56.68 2dno s GLU 154 Cb -0.05 -3.07 0.04 0.00 -0.44 0.00 0.00 34.13 30.61 2dno s GLU 154 CO -0.17 -0.00 0.80 -1.12 0.95 0.00 0.00 175.26 175.72 2dno s SER 155 N -0.79 5.22 -0.34 0.83 0.01 -1.26 -5.10 113.70 112.26 2dno s SER 155 Ca 0.48 0.04 0.06 0.00 1.31 0.00 0.00 55.95 57.83 2dno s SER 155 Cb -0.34 -0.89 0.18 0.00 0.21 0.00 0.00 66.02 65.18 2dno s SER 155 CO 0.45 -1.20 0.56 -0.83 0.41 0.00 0.00 173.24 172.62 2dno s GLY 156 N -4.44 -1.07 0.04 3.44 0.00 -1.26 -5.03 107.32 99.01 2dno s GLY 156 Ca 0.58 0.48 -0.17 0.00 0.00 0.00 0.00 44.72 45.60 2dno s GLY 156 CO 0.39 3.51 1.17 -0.56 0.00 0.00 0.00 173.10 177.62 2dno h PRO 157 N 7.60 0.54 -3.50 2.90 0.13 -2.07 -3.45 132.00 134.15 2dno h PRO 157 Ca 0.00 -0.52 -0.25 0.00 -0.87 0.00 0.00 66.00 64.36 2dno h PRO 157 Cb 1.17 0.14 -0.30 0.00 0.13 0.00 0.00 31.00 32.13 2dno h PRO 157 CO 0.15 1.15 -0.66 -1.54 -0.23 0.00 0.00 178.00 176.87 2dno s SER 158 N -6.88 -0.03 0.07 1.44 1.04 -1.26 -5.16 113.70 102.92 2dno s SER 158 Ca -0.12 0.13 0.08 0.00 0.48 0.00 0.00 55.95 56.52 2dno s SER 158 Cb 0.05 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 2dno s SER 158 CO 0.85 -0.08 -0.21 -0.94 0.98 0.00 0.00 173.24 173.85 2dno s SER 159 N 0.58 2.49 0.00 7.02 1.04 -1.26 -5.25 113.70 118.32 2dno s SER 159 Ca -0.05 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2dno s SER 159 Cb -0.06 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.88 2dno s SER 159 CO -0.02 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.92