#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 6.77 0.05 1.61 0.01 -1.26 -5.02 113.70 115.87 2dno s SER 60 Ca 0.00 1.15 -0.36 0.00 1.31 0.00 0.00 55.95 58.05 2dno s SER 60 Cb 0.00 -2.32 -0.20 0.00 0.21 0.00 0.00 66.02 63.71 2dno s SER 60 CO 0.00 -0.08 1.52 -1.28 0.41 0.00 0.00 173.24 173.80 2dno h SER 61 N 2.70 -1.10 0.00 2.44 0.87 -2.09 -3.47 113.55 112.89 2dno h SER 61 Ca -0.48 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2dno h SER 61 Cb 1.18 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 2dno h SER 61 CO 0.67 -0.78 0.00 0.61 -0.53 0.00 0.00 176.83 176.80 2dno n GLY 62 N -1.58 1.68 0.21 5.77 0.00 -1.26 -5.04 105.19 104.97 2dno n GLY 62 Ca -0.16 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 2dno n GLY 62 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dno h SER 63 N 0.00 0.65 -3.60 1.61 0.02 -2.06 -3.40 113.55 106.76 2dno h SER 63 Ca 0.00 -0.30 -0.66 0.00 -0.84 0.00 0.00 61.79 59.99 2dno h SER 63 Cb 0.00 -0.17 -0.24 0.00 0.14 0.00 0.00 62.40 62.12 2dno h SER 63 CO 0.00 0.78 -0.63 -0.55 -1.14 0.00 0.00 176.83 175.30 2dno s SER 64 N -6.14 5.08 0.00 3.07 0.15 -1.26 -5.08 113.70 109.52 2dno s SER 64 Ca -0.13 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.09 2dno s SER 64 Cb 0.10 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 2dno s SER 64 CO 0.78 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.73 2dno n GLY 65 N 4.90 -0.62 2.88 9.45 0.00 -1.26 -4.93 105.19 115.61 2dno n GLY 65 Ca -0.16 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2dno n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dno n SER 66 N 0.00 3.28 -4.84 1.61 2.88 -1.26 -5.08 113.62 110.21 2dno n SER 66 Ca 0.00 -3.23 -0.34 0.00 -1.33 0.00 0.00 58.87 53.96 2dno n SER 66 Cb 0.00 -0.79 -0.06 0.00 -0.75 0.00 0.00 64.21 62.61 2dno n SER 66 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2dno s ARG 67 N -1.58 4.08 -0.22 -1.46 0.52 -1.26 -5.06 118.95 113.97 2dno s ARG 67 Ca 0.27 0.69 -0.04 0.00 -0.52 0.00 0.00 55.73 56.13 2dno s ARG 67 Cb -0.02 -2.69 0.11 0.00 0.52 0.00 0.00 34.95 32.87 2dno s ARG 67 CO -0.15 0.31 0.36 0.20 0.02 0.00 0.00 175.30 176.04 2dno s GLY 68 N -1.96 -0.34 -0.48 -3.53 0.00 -1.26 -3.39 107.32 96.36 2dno s GLY 68 Ca 0.47 0.99 0.04 0.00 0.00 0.00 0.00 44.72 46.22 2dno s GLY 68 CO 0.19 2.51 0.22 -0.54 0.00 0.00 0.00 173.10 175.48 2dno s GLU 69 N 2.53 1.88 -1.24 2.90 0.41 -1.26 -4.74 118.70 119.18 2dno s GLU 69 Ca 0.08 -2.44 -0.08 0.00 -0.41 0.00 0.00 54.97 52.12 2dno s GLU 69 Cb -0.14 -3.31 0.01 0.00 -1.78 0.00 0.00 34.13 28.90 2dno s GLU 69 CO -0.14 -1.07 1.02 -0.25 -0.49 0.00 0.00 175.26 174.32 2dno n ASP 70 N 3.40 -5.93 -0.26 -0.19 9.92 -1.26 -4.85 116.55 117.39 2dno n ASP 70 Ca 0.05 -0.46 0.15 0.00 -0.53 0.00 0.00 54.79 54.00 2dno n ASP 70 Cb 0.35 -4.57 0.29 0.00 -0.64 0.00 0.00 41.12 36.54 2dno n ASP 70 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2dno n ARG 71 N -4.47 -0.06 -1.44 -1.24 1.74 -1.26 -4.41 116.66 105.52 2dno n ARG 71 Ca -0.00 1.12 -0.52 0.00 -0.77 0.00 0.00 57.85 57.68 2dno n ARG 71 Cb 0.56 -1.84 -0.05 0.00 -1.02 0.00 0.00 32.46 30.11 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 -4.98 0.04 -4.66 5.56 4.81 -1.26 -4.45 118.16 113.23 2dno n LYS 72 Ca 0.21 0.02 -0.25 0.00 -0.87 0.00 0.00 58.31 57.41 2dno n LYS 72 Cb 0.70 -1.19 -0.14 0.00 0.02 0.00 0.00 35.03 34.41 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 1.94 2.15 -0.34 3.14 1.43 0.13 -1.59 118.68 125.54 2dno s LEU 73 Ca 0.73 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 53.21 2dno s LEU 73 Cb -1.04 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 2dno s LEU 73 CO 0.56 0.16 0.22 0.12 0.23 0.00 0.00 176.35 177.65 2dno s PHE 74 N -0.76 3.22 -0.13 0.29 2.19 0.14 -1.51 117.98 121.41 2dno s PHE 74 Ca 0.07 -0.29 -0.05 0.00 0.33 0.00 0.00 56.93 56.99 2dno s PHE 74 Cb -0.09 -2.45 -0.04 0.00 -1.31 0.00 0.00 43.02 39.13 2dno s PHE 74 CO 0.01 -0.38 0.05 0.08 1.83 0.00 0.00 175.22 176.81 2dno s VAL 75 N 1.70 4.72 0.41 3.12 1.01 -0.38 -1.92 120.40 129.06 2dno s VAL 75 Ca 0.06 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2dno s VAL 75 Cb -0.17 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2dno s VAL 75 CO 0.10 0.55 0.07 -0.83 0.00 0.00 0.00 175.10 174.99 2dno s GLY 76 N -0.36 2.54 -1.09 4.51 0.00 0.73 -1.85 107.32 111.81 2dno s GLY 76 Ca 0.09 -1.37 -0.02 0.00 0.00 0.00 0.00 44.72 43.41 2dno s GLY 76 CO 0.02 -1.93 0.93 1.03 0.00 0.00 0.00 173.10 173.15 2dno n MET 77 N -0.93 -6.17 -3.99 2.90 2.81 -0.85 -2.20 117.12 108.69 2dno n MET 77 Ca -0.08 0.74 -0.23 0.00 -1.81 0.00 0.00 57.70 56.33 2dno n MET 77 Cb 0.66 -5.45 -0.03 0.00 -0.71 0.00 0.00 33.22 27.69 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 -6.04 4.22 0.21 4.03 1.43 -0.81 -4.60 118.68 117.13 2dno s LEU 78 Ca 0.16 0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.40 2dno s LEU 78 Cb -0.07 -2.77 -0.05 0.00 0.03 0.00 0.00 46.19 43.33 2dno s LEU 78 CO 0.64 -0.03 -0.20 -0.83 0.23 0.00 0.00 176.35 176.15 2dno s GLY 79 N -3.74 1.64 0.32 -3.19 0.00 -1.26 -4.36 107.32 96.73 2dno s GLY 79 Ca 0.34 -1.66 0.09 0.00 0.00 0.00 0.00 44.72 43.48 2dno s GLY 79 CO 0.28 -1.72 1.65 0.50 0.00 0.00 0.00 173.10 173.81 2dno h LYS 80 N 2.92 0.25 -0.19 2.90 1.57 -1.94 0.37 116.57 122.45 2dno h LYS 80 Ca -0.43 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.39 2dno h LYS 80 Cb 1.22 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.41 2dno h LYS 80 CO 0.53 0.16 -0.32 1.96 -0.57 0.00 0.00 179.45 181.22 2dno h GLN 81 N 0.25 -0.35 -6.25 3.15 7.50 -1.96 -3.39 115.11 114.07 2dno h GLN 81 Ca 0.65 0.02 -0.56 0.00 0.50 0.00 0.00 58.65 59.27 2dno h GLN 81 Cb 1.42 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 29.01 2dno h GLN 81 CO -0.65 -0.23 0.85 -0.65 -1.50 0.00 0.00 178.83 176.65 2dno s GLN 82 N -6.00 4.27 0.39 1.46 1.11 0.12 -4.92 119.66 116.09 2dno s GLN 82 Ca -0.15 1.77 0.04 0.00 0.01 0.00 0.00 55.36 57.02 2dno s GLN 82 Cb 0.11 -3.69 -0.04 0.00 -1.01 0.00 0.00 33.01 28.38 2dno s GLN 82 CO 0.66 -0.62 0.08 0.95 0.01 0.00 0.00 175.29 176.38 2dno s THR 83 N 2.95 0.94 0.48 -0.19 -4.23 -1.26 -4.57 115.64 109.76 2dno s THR 83 Ca 0.58 -2.00 0.41 0.00 -1.18 0.00 0.00 61.69 59.51 2dno s THR 83 Cb -0.25 -2.53 0.61 0.00 1.34 0.00 0.00 72.50 71.66 2dno s THR 83 CO 0.20 0.00 1.30 -0.67 -0.54 0.00 0.00 174.62 174.92 2dno n ASP 84 N -1.04 0.00 0.15 3.99 -0.08 -1.26 0.22 116.55 118.52 2dno n ASP 84 Ca -0.06 0.83 -0.07 0.00 -1.51 0.00 0.00 54.79 53.98 2dno n ASP 84 Cb 0.66 -0.40 -0.03 0.00 2.34 0.00 0.00 41.12 43.68 2dno n ASP 84 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2dno h GLU 85 N 0.00 -0.43 -0.21 -0.67 4.57 -1.97 -2.35 114.58 113.52 2dno h GLU 85 Ca 0.77 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 59.03 2dno h GLU 85 Cb 3.16 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 31.79 2dno h GLU 85 CO -0.01 -0.28 -0.11 -0.44 -1.18 0.00 0.00 179.01 176.99 2dno h ASP 86 N -1.00 -0.35 -1.00 1.04 5.19 -0.59 0.19 116.42 119.90 2dno h ASP 86 Ca -0.05 0.08 0.11 0.00 -0.62 0.00 0.00 57.03 56.56 2dno h ASP 86 Cb 0.34 0.19 -0.08 0.00 0.18 0.00 0.00 39.33 39.96 2dno h ASP 86 CO 0.07 -0.14 0.63 0.58 -3.12 0.00 0.00 179.24 177.27 2dno h VAL 87 N -0.08 0.96 0.26 -1.35 2.07 -1.24 1.04 116.25 117.91 2dno h VAL 87 Ca 0.12 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2dno h VAL 87 Cb 0.25 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 2dno h VAL 87 CO -0.27 0.19 -0.12 -0.09 0.02 0.00 0.00 177.57 177.30 2dno h ARG 88 N 1.03 -0.34 0.00 1.57 2.43 -0.73 -0.67 114.38 117.67 2dno h ARG 88 Ca 0.48 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.67 2dno h ARG 88 Cb 0.41 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2dno h ARG 88 CO -0.24 0.02 -0.00 0.87 -1.51 0.00 0.00 179.97 179.11 2dno h LYS 89 N -0.85 0.00 0.00 0.20 1.57 -0.37 0.27 116.57 117.39 2dno h LYS 89 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2dno h LYS 89 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 2dno h LYS 89 CO 0.06 0.00 -0.82 1.98 -0.57 0.00 0.00 179.45 180.10 2dno h MET 90 N 0.00 0.00 0.00 3.15 4.05 0.12 -3.33 114.93 118.91 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 0.32 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 2dno h MET 90 CO 0.00 0.03 -1.39 1.19 0.23 0.00 0.00 176.91 176.97 2dno n PHE 91 N -2.79 0.00 -0.23 1.39 3.01 -0.27 -4.41 117.46 114.16 2dno n PHE 91 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.39 2dno n PHE 91 Cb 0.57 -0.23 0.04 0.00 -0.01 0.00 0.00 39.48 39.85 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 0.95 0.00 -1.08 4.39 -0.62 -2.51 114.58 115.72 2dno h GLU 92 Ca 0.00 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.54 2dno h GLU 92 Cb 0.66 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2dno h GLU 92 CO 0.00 0.78 0.45 -1.35 -1.16 0.00 0.00 179.01 177.73 2dno h PRO 93 N 0.90 0.00 -0.13 2.33 0.11 -1.77 0.91 132.00 134.36 2dno h PRO 93 Ca 0.22 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.24 2dno h PRO 93 Cb 0.17 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.21 2dno h PRO 93 CO -0.02 0.00 -0.48 1.19 -0.21 0.00 0.00 178.00 178.47 2dno n PHE 94 N -1.97 0.45 0.00 0.65 3.72 -0.94 -5.07 117.46 114.28 2dno n PHE 94 Ca -0.01 -1.60 0.00 0.00 -0.05 0.00 0.00 57.45 55.79 2dno n PHE 94 Cb 0.47 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.07 1.56 3.71 1.37 0.00 0.32 -4.48 105.19 106.60 2dno n GLY 95 Ca 0.24 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.32 5.21 -0.30 2.61 2.01 -1.26 -4.06 115.64 118.53 2dno s THR 96 Ca 0.00 0.81 -0.16 0.00 0.31 0.00 0.00 61.69 62.65 2dno s THR 96 Cb 0.00 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2dno s THR 96 CO 0.00 0.32 0.42 -0.63 -0.69 0.00 0.00 174.62 174.04 2dno s ILE 97 N 0.79 5.12 -0.14 1.82 1.01 -1.26 0.11 121.20 128.64 2dno s ILE 97 Ca 0.22 0.46 -0.26 0.00 0.00 0.00 0.00 60.65 61.07 2dno s ILE 97 Cb -0.15 -3.80 -0.25 0.00 0.01 0.00 0.00 42.46 38.27 2dno s ILE 97 CO 0.08 0.01 0.66 0.44 0.00 0.00 0.00 174.94 176.14 2dno h ASP 98 N 8.27 0.06 -4.30 3.58 5.19 -1.42 -3.48 116.42 124.34 2dno h ASP 98 Ca -0.30 -0.89 -0.51 0.00 -0.62 0.00 0.00 57.03 54.71 2dno h ASP 98 Cb 1.15 -0.02 -0.23 0.00 0.18 0.00 0.00 39.33 40.41 2dno h ASP 98 CO 0.69 1.16 -0.81 -0.70 -3.12 0.00 0.00 179.24 176.46 2dno s GLU 99 N -2.28 1.07 -0.28 3.56 2.56 -1.19 -5.03 118.70 117.12 2dno s GLU 99 Ca -0.20 -0.98 -0.23 0.00 0.00 0.00 0.00 54.97 53.55 2dno s GLU 99 Cb -0.01 -1.20 0.09 0.00 2.00 0.00 0.00 34.13 35.02 2dno s GLU 99 CO 0.69 0.29 0.81 0.00 -0.56 0.00 0.00 175.26 176.49 2dno s THR 101 N 0.54 0.03 -0.13 0.00 2.01 -0.69 -5.02 115.64 112.38 2dno s THR 101 Ca -0.01 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2dno s THR 101 Cb -0.05 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 2dno s THR 101 CO -0.04 -0.13 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.91 2dno s VAL 102 N -2.03 2.82 -0.13 3.82 1.01 -1.26 -0.34 120.40 124.29 2dno s VAL 102 Ca -0.08 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 2dno s VAL 102 Cb -0.01 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 2dno s VAL 102 CO 0.02 0.53 1.20 -0.76 0.00 0.00 0.00 175.10 176.09 2dno s LEU 103 N 0.45 4.21 0.34 3.92 1.43 -0.64 -4.99 118.68 123.40 2dno s LEU 103 Ca -0.11 1.69 0.03 0.00 -1.03 0.00 0.00 54.13 54.72 2dno s LEU 103 Cb -0.16 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 2dno s LEU 103 CO 0.05 -0.67 0.11 -0.13 0.23 0.00 0.00 176.35 175.93 2dno s ARG 104 N 2.94 1.71 0.00 1.70 0.52 -1.26 -2.74 118.95 121.81 2dno s ARG 104 Ca 0.54 -1.99 0.00 0.00 -0.52 0.00 0.00 55.73 53.76 2dno s ARG 104 Cb -0.22 -0.55 0.00 0.00 0.52 0.00 0.00 34.95 34.70 2dno s ARG 104 CO 0.16 -0.35 0.00 0.41 0.02 0.00 0.00 175.30 175.54 2dno n GLY 105 N -0.72 3.70 0.00 -3.53 0.00 -1.23 -4.92 105.19 98.50 2dno n GLY 105 Ca -0.03 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 44.12 2dno n GLY 105 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dno n PRO 106 N 0.00 0.84 -0.59 1.61 -0.04 -1.26 -2.92 135.00 132.64 2dno n PRO 106 Ca 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 2dno n PRO 106 Cb 0.00 -1.23 0.17 0.00 -0.04 0.00 0.00 33.50 32.39 2dno n PRO 106 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dno n ASP 107 N -0.73 1.70 -2.91 3.54 -0.08 -1.26 -4.97 116.55 111.84 2dno n ASP 107 Ca 0.09 -3.44 -0.09 0.00 -1.51 0.00 0.00 54.79 49.84 2dno n ASP 107 Cb 0.04 -0.47 -0.02 0.00 2.34 0.00 0.00 41.12 43.02 2dno n ASP 107 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dno n GLY 108 N -0.96 -0.47 3.53 0.27 0.00 -1.15 -4.87 105.19 101.54 2dno n GLY 108 Ca 0.16 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2dno n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dno s THR 109 N -2.24 4.47 -0.71 2.61 2.01 -1.26 -4.93 115.64 115.59 2dno s THR 109 Ca 0.18 -0.13 -0.26 0.00 0.31 0.00 0.00 61.69 61.79 2dno s THR 109 Cb -0.10 -3.05 -0.13 0.00 0.01 0.00 0.00 72.50 69.23 2dno s THR 109 CO 0.22 0.40 2.42 -1.54 -0.69 0.00 0.00 174.62 175.43 2dno n SER 110 N 4.22 1.84 -0.56 3.53 3.41 -1.26 -3.48 113.62 121.32 2dno n SER 110 Ca -0.16 -1.15 0.44 0.00 -0.26 0.00 0.00 58.87 57.74 2dno n SER 110 Cb 0.52 -1.60 0.71 0.00 -0.26 0.00 0.00 64.21 63.58 2dno n SER 110 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2dno n LYS 111 N 8.77 -0.02 0.00 4.33 4.76 -1.11 -4.57 118.16 130.32 2dno n LYS 111 Ca 0.45 1.11 0.00 0.00 -2.87 0.00 0.00 58.31 57.00 2dno n LYS 111 Cb 0.45 -2.37 0.00 0.00 -1.84 0.00 0.00 35.03 31.28 2dno n LYS 111 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dno n GLY 112 N -1.68 1.30 3.16 0.72 0.00 -1.26 -4.93 105.19 102.50 2dno n GLY 112 Ca 0.40 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 0.07 -0.42 -0.14 0.00 0.00 -0.77 -1.61 121.76 118.88 2dno s ALA 114 Ca -0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.82 2dno s ALA 114 Cb -0.02 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2dno s ALA 114 CO 0.01 -0.23 0.12 -0.06 0.00 0.00 0.00 175.76 175.59 2dno s PHE 115 N -1.48 3.48 -0.07 0.00 0.08 0.54 -1.25 117.98 119.28 2dno s PHE 115 Ca -0.14 0.41 0.03 0.00 0.12 0.00 0.00 56.93 57.35 2dno s PHE 115 Cb -0.07 -1.99 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 2dno s PHE 115 CO 0.02 0.55 -0.16 0.08 -0.10 0.00 0.00 175.22 175.61 2dno s VAL 116 N -0.56 1.40 -0.22 -0.44 1.01 -0.57 -1.70 120.40 119.32 2dno s VAL 116 Ca 0.12 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 2dno s VAL 116 Cb -0.12 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.04 2dno s VAL 116 CO 0.02 0.41 -0.09 -0.75 0.00 0.00 0.00 175.10 174.69 2dno s LYS 117 N 0.45 3.10 0.49 2.72 2.20 0.96 0.18 119.74 129.84 2dno s LYS 117 Ca -0.13 -0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 54.65 2dno s LYS 117 Cb -0.15 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.27 2dno s LYS 117 CO 0.05 -0.27 0.77 -0.06 -0.36 0.00 0.00 175.35 175.48 2dno s PHE 118 N 1.38 3.39 0.26 4.03 0.40 -1.26 -1.23 117.98 124.94 2dno s PHE 118 Ca 0.04 0.59 -0.01 0.00 -0.60 0.00 0.00 56.93 56.95 2dno s PHE 118 Cb -0.15 -2.39 0.32 0.00 0.51 0.00 0.00 43.02 41.32 2dno s PHE 118 CO -0.06 -0.41 1.71 0.37 0.70 0.00 0.00 175.22 177.53 2dno h GLN 119 N 0.20 0.68 -3.70 0.44 4.15 0.37 -3.42 115.11 113.84 2dno h GLN 119 Ca -0.47 -0.23 -0.17 0.00 0.77 0.00 0.00 58.65 58.56 2dno h GLN 119 Cb 1.23 -0.06 -0.22 0.00 0.21 0.00 0.00 27.48 28.65 2dno h GLN 119 CO 0.60 0.80 -0.60 0.95 -1.93 0.00 0.00 178.83 178.65 2dno s THR 120 N -4.72 0.08 0.18 2.39 -4.23 -1.26 -5.03 115.64 103.03 2dno s THR 120 Ca -0.09 -0.64 -0.17 0.00 -1.18 0.00 0.00 61.69 59.62 2dno s THR 120 Cb 0.14 -0.31 0.12 0.00 1.34 0.00 0.00 72.50 73.80 2dno s THR 120 CO 0.81 -0.35 1.65 -0.74 -0.54 0.00 0.00 174.62 175.45 2dno h HIS 121 N 4.77 -0.29 -0.87 3.99 -0.00 -1.86 -2.12 115.15 118.77 2dno h HIS 121 Ca -0.30 0.04 0.12 0.00 -0.00 0.00 0.00 60.37 60.23 2dno h HIS 121 Cb 1.20 0.20 -0.13 0.00 -0.00 0.00 0.00 27.41 28.67 2dno h HIS 121 CO 0.58 -0.21 -0.46 0.00 -0.00 0.00 0.00 177.93 177.84 2dno h ALA 122 N 1.40 -0.18 -0.26 5.26 0.00 -1.97 0.12 119.26 123.63 2dno h ALA 122 Ca 0.21 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.37 2dno h ALA 122 Cb 0.35 1.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 2dno h ALA 122 CO -0.47 -0.78 -0.09 0.93 0.00 0.00 0.00 179.25 178.84 2dno h GLU 123 N -0.07 -0.04 -0.60 0.00 5.08 -1.66 -2.28 114.58 115.02 2dno h GLU 123 Ca 0.25 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.73 2dno h GLU 123 Cb 0.54 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.68 2dno h GLU 123 CO -0.89 -0.02 -0.23 0.00 -1.00 0.00 0.00 179.01 176.87 2dno h ALA 124 N 1.21 0.23 -0.90 3.43 0.00 -0.49 0.13 119.26 122.86 2dno h ALA 124 Ca 0.13 0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.34 2dno h ALA 124 Cb 0.24 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 2dno h ALA 124 CO -0.29 -0.53 0.55 0.37 0.00 0.00 0.00 179.25 179.36 2dno h GLN 125 N -0.08 0.92 0.09 0.00 5.75 -0.75 -2.62 115.11 118.43 2dno h GLN 125 Ca 0.27 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.74 2dno h GLN 125 Cb 0.50 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.80 2dno h GLN 125 CO -0.65 0.61 -0.43 0.00 -2.65 0.00 0.00 178.83 175.71 2dno h ALA 126 N 1.46 -0.74 0.09 3.38 0.00 -0.31 -0.90 119.26 122.24 2dno h ALA 126 Ca 0.42 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.27 2dno h ALA 126 Cb 0.31 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2dno h ALA 126 CO -0.22 -0.99 -0.34 0.00 0.00 0.00 0.00 179.25 177.71 2dno h ALA 127 N -0.16 -0.85 -0.64 0.00 0.00 -1.11 -2.91 119.26 113.59 2dno h ALA 127 Ca 0.03 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2dno h ALA 127 Cb 0.68 0.73 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 2dno h ALA 127 CO -0.27 -0.93 -0.51 0.82 0.00 0.00 0.00 179.25 178.36 2dno h ILE 128 N -0.49 0.00 -0.75 0.00 2.04 -1.37 1.78 117.51 118.72 2dno h ILE 128 Ca -0.01 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.10 2dno h ILE 128 Cb 0.49 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.43 2dno h ILE 128 CO -0.18 0.00 0.15 -3.20 0.00 0.00 0.00 178.15 174.93 2dno n ASN 129 N -5.05 0.04 0.00 1.72 2.85 -0.35 -0.31 115.26 114.15 2dno n ASN 129 Ca -0.01 1.26 0.00 0.00 -0.11 0.00 0.00 54.58 55.73 2dno n ASN 129 Cb 0.27 -0.51 0.00 0.00 1.24 0.00 0.00 39.78 40.77 2dno n ASN 129 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2dno n THR 130 N -4.91 0.00 -0.29 -0.44 -1.04 0.64 -4.66 114.28 103.58 2dno n THR 130 Ca 0.21 0.37 -0.01 0.00 -2.04 0.00 0.00 64.05 62.59 2dno n THR 130 Cb 0.71 -1.37 0.03 0.00 -1.82 0.00 0.00 70.33 67.89 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 -2.27 -0.48 -3.58 -4.42 4.77 0.57 -4.08 117.00 107.51 2dno n LEU 131 Ca 0.00 1.33 -0.49 0.00 -0.03 0.00 0.00 56.01 56.82 2dno n LEU 131 Cb 0.00 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 2dno n LEU 131 CO 0.00 -1.19 0.61 1.57 -1.33 0.00 0.00 177.39 177.05 2dno n HIS 132 N -5.13 0.82 -3.88 -1.77 -0.00 0.57 0.27 115.22 106.10 2dno n HIS 132 Ca 0.08 0.85 -0.27 0.00 0.46 0.00 0.00 57.72 58.85 2dno n HIS 132 Cb 0.31 -1.67 -0.05 0.00 -0.12 0.00 0.00 29.99 28.46 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 1.88 -0.47 0.00 0.26 2.88 0.57 -4.85 113.62 113.88 2dno n SER 133 Ca 0.19 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 2dno n SER 133 Cb 0.02 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 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 -1.79 0.00 -5.03 -3.46 2.88 0.14 -4.87 113.62 101.48 2dno n SER 134 Ca -0.19 0.06 -0.20 0.00 -1.33 0.00 0.00 58.87 57.21 2dno n SER 134 Cb 0.48 -0.27 0.07 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.53 2.25 -0.49 -1.46 1.70 -1.26 -4.88 118.95 114.27 2dno s ARG 135 Ca 0.00 -1.67 0.05 0.00 -0.47 0.00 0.00 55.73 53.63 2dno s ARG 135 Cb 0.00 -2.63 0.18 0.00 -0.57 0.00 0.00 34.95 31.92 2dno s ARG 135 CO 0.00 -0.92 0.40 2.41 -1.08 0.00 0.00 175.30 176.11 2dno n THR 136 N -2.29 -0.37 -1.32 4.99 -1.04 -1.26 -0.49 114.28 112.50 2dno n THR 136 Ca 0.16 -3.87 -0.45 0.00 -2.04 0.00 0.00 64.05 57.86 2dno n THR 136 Cb 0.62 -1.82 -0.02 0.00 -1.82 0.00 0.00 70.33 67.29 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 2.49 -1.74 -4.63 -4.42 4.77 -1.26 -4.70 117.00 107.50 2dno n LEU 137 Ca 0.27 0.99 -0.55 0.00 -0.03 0.00 0.00 56.01 56.70 2dno n LEU 137 Cb 0.45 -0.90 -0.07 0.00 -2.33 0.00 0.00 43.42 40.57 2dno n LEU 137 CO 0.14 -3.29 1.05 -2.65 -1.33 0.00 0.00 177.39 171.32 2dno n PRO 138 N 1.08 1.09 -2.68 3.23 -0.02 -1.26 -2.02 135.00 134.42 2dno n PRO 138 Ca 0.15 0.40 -0.06 0.00 -2.02 0.00 0.00 63.50 61.96 2dno n PRO 138 Cb 0.29 -2.05 0.03 0.00 -0.02 0.00 0.00 33.50 31.75 2dno n PRO 138 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dno n GLY 139 N 3.13 0.39 2.73 -1.23 0.00 -1.26 -4.85 105.19 104.11 2dno n GLY 139 Ca 0.22 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.10 1.02 0.00 4.61 0.00 -0.86 -4.93 121.76 118.50 2dno s ALA 140 Ca 0.11 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2dno s ALA 140 Cb -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.87 2dno s ALA 140 CO 0.22 -1.21 0.44 0.43 0.00 0.00 0.00 175.76 175.65 2dno n SER 141 N 5.05 0.00 -3.52 0.00 7.64 -1.26 -4.61 113.62 116.91 2dno n SER 141 Ca -0.09 0.44 -0.10 0.00 1.01 0.00 0.00 58.87 60.14 2dno n SER 141 Cb 0.47 -0.14 0.03 0.00 -1.01 0.00 0.00 64.21 63.56 2dno n SER 141 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dno n SER 142 N -1.65 1.10 -4.89 6.43 2.88 -1.26 -5.11 113.62 111.13 2dno n SER 142 Ca 0.00 -1.80 -0.29 0.00 -1.33 0.00 0.00 58.87 55.45 2dno n SER 142 Cb 0.00 -0.22 0.01 0.00 -0.75 0.00 0.00 64.21 63.25 2dno n SER 142 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dno s SER 143 N -2.86 6.23 -0.39 -3.46 1.04 -1.26 -4.72 113.70 108.28 2dno s SER 143 Ca 0.31 1.21 -0.45 0.00 0.48 0.00 0.00 55.95 57.51 2dno s SER 143 Cb -0.02 -2.37 -0.20 0.00 0.10 0.00 0.00 66.02 63.53 2dno s SER 143 CO 0.20 -0.75 1.46 -0.11 0.98 0.00 0.00 173.24 175.01 2dno n LEU 144 N -2.55 0.94 -4.30 2.42 7.94 0.36 -4.53 117.00 117.28 2dno n LEU 144 Ca 0.04 1.16 -0.46 0.00 -1.11 0.00 0.00 56.01 55.64 2dno n LEU 144 Cb 0.55 -0.87 -0.04 0.00 0.53 0.00 0.00 43.42 43.58 2dno n LEU 144 CO 0.56 -1.04 0.21 -0.69 -1.11 0.00 0.00 177.39 175.33 2dno s VAL 145 N 2.33 5.22 -0.23 1.96 1.01 -0.93 0.21 120.40 129.96 2dno s VAL 145 Ca 1.00 -1.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 2dno s VAL 145 Cb -1.42 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 30.62 2dno s VAL 145 CO 0.75 -0.91 0.05 -0.69 0.00 0.00 0.00 175.10 174.30 2dno s VAL 146 N 1.11 4.27 0.23 2.92 1.01 -1.26 -0.19 120.40 128.48 2dno s VAL 146 Ca 0.08 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 2dno s VAL 146 Cb -0.23 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 2dno s VAL 146 CO -0.01 0.37 0.37 -1.59 0.00 0.00 0.00 175.10 174.24 2dno s LYS 147 N 1.38 1.43 0.33 2.72 -2.85 -0.81 -4.60 119.74 117.35 2dno s LYS 147 Ca 0.05 -1.34 -0.28 0.00 -1.00 0.00 0.00 55.97 53.40 2dno s LYS 147 Cb -0.15 0.41 -0.10 0.00 -2.06 0.00 0.00 37.83 35.93 2dno s LYS 147 CO 0.03 -0.56 1.28 -0.06 0.10 0.00 0.00 175.35 176.14 2dno s PHE 148 N -4.05 3.09 -0.38 1.78 0.08 -1.26 0.25 117.98 117.48 2dno s PHE 148 Ca 0.26 1.45 -0.21 0.00 0.12 0.00 0.00 56.93 58.56 2dno s PHE 148 Cb 0.02 -3.63 0.01 0.00 -0.57 0.00 0.00 43.02 38.85 2dno s PHE 148 CO 0.09 -1.71 0.66 0.00 -0.10 0.00 0.00 175.22 174.16 2dno s ALA 149 N -1.16 3.42 0.09 5.36 0.00 -0.62 -4.48 121.76 124.36 2dno s ALA 149 Ca 0.49 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.61 2dno s ALA 149 Cb -0.38 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 2dno s ALA 149 CO 0.51 -1.50 -0.18 0.16 0.00 0.00 0.00 175.76 174.75 2dno s ASP 150 N 1.87 3.82 -0.20 0.00 1.47 -1.26 -4.84 116.67 117.53 2dno s ASP 150 Ca 0.25 -0.52 -0.10 0.00 1.18 0.00 0.00 52.55 53.36 2dno s ASP 150 Cb -0.14 -0.55 -0.05 0.00 -0.34 0.00 0.00 42.92 41.84 2dno s ASP 150 CO 0.17 0.21 0.14 0.28 0.68 0.00 0.00 175.17 176.64 2dno s THR 151 N -1.05 5.41 -0.34 2.11 -1.32 -1.26 -5.07 115.64 114.11 2dno s THR 151 Ca 0.16 0.20 -0.20 0.00 -1.21 0.00 0.00 61.69 60.65 2dno s THR 151 Cb -0.11 -3.48 -0.00 0.00 -1.51 0.00 0.00 72.50 67.41 2dno s THR 151 CO 0.08 0.44 0.60 -0.70 -2.21 0.00 0.00 174.62 172.83 2dno s GLU 152 N 0.39 3.72 -0.15 7.08 2.12 -1.26 -4.92 118.70 125.68 2dno s GLU 152 Ca 0.08 0.06 -0.03 0.00 0.36 0.00 0.00 54.97 55.44 2dno s GLU 152 Cb -0.11 -3.79 -0.24 0.00 0.26 0.00 0.00 34.13 30.25 2dno s GLU 152 CO -0.02 -0.67 0.22 1.17 -0.54 0.00 0.00 175.26 175.43 2dno n LYS 153 N 5.92 0.73 -4.31 4.30 0.00 -1.26 -4.98 118.16 118.56 2dno n LYS 153 Ca -0.02 0.23 -0.19 0.00 0.00 0.00 0.00 58.31 58.33 2dno n LYS 153 Cb 0.49 -1.66 -0.11 0.00 0.00 0.00 0.00 35.03 33.75 2dno n LYS 153 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2dno s GLU 154 N -2.55 1.22 -0.24 1.64 -1.05 -1.26 -5.08 118.70 111.38 2dno s GLU 154 Ca -0.25 -1.44 -0.16 0.00 -0.15 0.00 0.00 54.97 52.97 2dno s GLU 154 Cb 0.07 -1.08 -0.12 0.00 -0.44 0.00 0.00 34.13 32.57 2dno s GLU 154 CO 0.73 0.20 -0.24 0.45 0.95 0.00 0.00 175.26 177.35 2dno n SER 155 N 0.04 1.93 0.00 0.83 2.88 -1.26 -5.11 113.62 112.93 2dno n SER 155 Ca -0.11 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2dno n SER 155 Cb 0.59 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2dno n SER 155 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dno n GLY 156 N 1.35 2.64 0.13 0.46 0.00 -1.26 -5.01 105.19 103.50 2dno n GLY 156 Ca -0.40 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2dno n GLY 156 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dno h PRO 157 N 0.00 0.00 -2.82 1.61 0.13 -2.01 -3.45 132.00 125.46 2dno h PRO 157 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 2dno h PRO 157 Cb 0.00 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 30.89 2dno h PRO 157 CO 0.00 0.63 -0.26 -1.12 -0.23 0.00 0.00 178.00 177.02 2dno s SER 158 N -6.58 -0.38 -0.63 1.44 0.01 -1.26 -5.05 113.70 101.25 2dno s SER 158 Ca 0.01 0.71 -0.02 0.00 1.31 0.00 0.00 55.95 57.97 2dno s SER 158 Cb 0.10 0.74 0.38 0.00 0.21 0.00 0.00 66.02 67.44 2dno s SER 158 CO 0.75 -0.17 2.07 -1.54 0.41 0.00 0.00 173.24 174.77 2dno n SER 159 N 2.70 7.42 0.00 2.44 3.41 -1.26 -5.20 113.62 123.13 2dno n SER 159 Ca -0.14 -3.65 0.00 0.00 -0.26 0.00 0.00 58.87 54.82 2dno n SER 159 Cb 0.57 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 2dno n SER 159 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49