#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dno n SER 60 N 0.00 -2.34 -3.64 1.61 3.41 -1.26 -4.89 113.62 106.51 2dno n SER 60 Ca 0.00 -1.09 -0.05 0.00 -0.26 0.00 0.00 58.87 57.48 2dno n SER 60 Cb 0.00 -2.44 -0.07 0.00 -0.26 0.00 0.00 64.21 61.44 2dno n SER 60 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dno s SER 61 N -3.48 -0.23 0.00 4.04 0.15 -1.26 -5.05 113.70 107.87 2dno s SER 61 Ca 0.63 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.71 2dno s SER 61 Cb -0.35 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2dno s SER 61 CO 0.95 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.93 2dno n GLY 62 N 2.03 2.49 0.24 9.45 0.00 -1.26 -4.90 105.19 113.24 2dno n GLY 62 Ca -0.12 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 2dno n GLY 62 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dno h SER 63 N 0.00 -0.45 -2.74 1.61 0.87 -2.01 -3.42 113.55 107.40 2dno h SER 63 Ca 0.00 -0.08 -0.53 0.00 -1.23 0.00 0.00 61.79 59.94 2dno h SER 63 Cb 0.00 0.12 0.02 0.00 -0.44 0.00 0.00 62.40 62.10 2dno h SER 63 CO 0.00 -0.18 0.95 -0.94 -0.53 0.00 0.00 176.83 176.13 2dno s SER 64 N -4.86 6.64 0.00 6.23 1.04 -1.26 -4.70 113.70 116.79 2dno s SER 64 Ca -0.15 2.46 0.00 0.00 0.48 0.00 0.00 55.95 58.73 2dno s SER 64 Cb 0.03 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2dno s SER 64 CO 0.58 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2dno n GLY 65 N 3.90 0.28 3.30 7.32 0.00 -1.26 -5.00 105.19 113.73 2dno n GLY 65 Ca 0.15 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2dno n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dno s SER 66 N 0.00 2.71 0.13 1.61 0.01 -1.26 -5.12 113.70 111.78 2dno s SER 66 Ca 0.00 -0.65 -0.07 0.00 1.31 0.00 0.00 55.95 56.54 2dno s SER 66 Cb 0.00 -0.18 -0.06 0.00 0.21 0.00 0.00 66.02 65.99 2dno s SER 66 CO 0.00 0.12 0.41 -0.60 0.41 0.00 0.00 173.24 173.58 2dno s ARG 67 N -1.70 3.70 0.00 12.44 3.52 -1.26 -4.85 118.95 130.80 2dno s ARG 67 Ca 0.08 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.75 2dno s ARG 67 Cb -0.10 -2.87 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 2dno s ARG 67 CO 0.04 0.48 0.00 0.41 -0.81 0.00 0.00 175.30 175.41 2dno n GLY 68 N 0.34 0.77 3.58 8.12 0.00 -1.26 -4.98 105.19 111.76 2dno n GLY 68 Ca -0.04 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 2dno n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dno s GLU 69 N -0.76 2.62 -0.22 1.61 0.41 -1.26 -4.81 118.70 116.28 2dno s GLU 69 Ca 0.00 -1.17 -0.03 0.00 -0.41 0.00 0.00 54.97 53.36 2dno s GLU 69 Cb 0.00 -5.25 0.12 0.00 -1.78 0.00 0.00 34.13 27.21 2dno s GLU 69 CO 0.00 -3.80 0.34 -0.51 -0.49 0.00 0.00 175.26 170.80 2dno s ASP 70 N 6.42 0.48 0.14 -0.19 1.01 -1.26 -5.05 116.67 118.22 2dno s ASP 70 Ca 0.67 0.19 -0.28 0.00 0.71 0.00 0.00 52.55 53.84 2dno s ASP 70 Cb -0.01 0.94 -0.04 0.00 1.01 0.00 0.00 42.92 44.82 2dno s ASP 70 CO 0.12 -0.30 1.58 0.03 0.21 0.00 0.00 175.17 176.81 2dno h ARG 71 N 8.22 -0.43 -5.83 8.23 3.08 -1.93 -3.43 114.38 122.29 2dno h ARG 71 Ca -0.18 0.03 -0.62 0.00 0.07 0.00 0.00 59.98 59.28 2dno h ARG 71 Cb 1.15 0.10 0.14 0.00 0.08 0.00 0.00 29.97 31.44 2dno h ARG 71 CO 0.26 -0.29 -0.79 1.17 -1.07 0.00 0.00 179.97 179.25 2dno n LYS 72 N -5.43 0.00 -4.15 0.04 4.81 -1.26 -4.48 118.16 107.70 2dno n LYS 72 Ca -0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.27 2dno n LYS 72 Cb 0.36 -0.97 -0.11 0.00 0.02 0.00 0.00 35.03 34.33 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 3.80 2.38 -0.32 3.14 1.43 0.12 -2.83 118.68 126.39 2dno s LEU 73 Ca 0.59 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.86 2dno s LEU 73 Cb -0.71 -0.24 0.03 0.00 0.03 0.00 0.00 46.19 45.29 2dno s LEU 73 CO 0.59 -0.27 0.10 0.12 0.23 0.00 0.00 176.35 177.11 2dno s PHE 74 N -2.30 3.22 -0.04 0.29 2.19 0.82 -1.87 117.98 120.29 2dno s PHE 74 Ca 0.02 -1.29 -0.04 0.00 0.33 0.00 0.00 56.93 55.95 2dno s PHE 74 Cb -0.04 -2.27 -0.04 0.00 -1.31 0.00 0.00 43.02 39.36 2dno s PHE 74 CO -0.01 -0.68 0.18 0.08 1.83 0.00 0.00 175.22 176.62 2dno s VAL 75 N 1.43 5.44 0.07 3.12 1.01 -0.15 -2.05 120.40 129.28 2dno s VAL 75 Ca -0.00 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2dno s VAL 75 Cb -0.19 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 2dno s VAL 75 CO 0.03 0.41 0.04 0.61 0.00 0.00 0.00 175.10 176.19 2dno n GLY 76 N 1.25 3.90 3.89 4.51 0.00 0.13 -1.82 105.19 117.04 2dno n GLY 76 Ca -0.13 -1.86 -0.28 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.15 -5.21 -3.62 1.61 2.81 -1.16 -3.50 117.12 107.91 2dno n MET 77 Ca -0.00 0.58 -0.32 0.00 -1.81 0.00 0.00 57.70 56.15 2dno n MET 77 Cb 0.11 -5.37 -0.05 0.00 -0.71 0.00 0.00 33.22 27.21 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 -7.15 4.27 0.19 4.03 1.43 -1.23 -4.74 118.68 115.48 2dno s LEU 78 Ca 0.50 0.68 0.07 0.00 -1.03 0.00 0.00 54.13 54.35 2dno s LEU 78 Cb -0.25 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 2dno s LEU 78 CO 0.83 0.06 0.01 -0.83 0.23 0.00 0.00 176.35 176.65 2dno s GLY 79 N -2.27 1.71 0.53 -3.19 0.00 -1.26 -4.34 107.32 98.50 2dno s GLY 79 Ca 0.40 -1.40 0.30 0.00 0.00 0.00 0.00 44.72 44.02 2dno s GLY 79 CO 0.23 -1.42 1.91 0.07 0.00 0.00 0.00 173.10 173.89 2dno h LYS 80 N 2.58 0.01 -0.13 2.90 2.10 -1.94 -0.34 116.57 121.75 2dno h LYS 80 Ca -0.47 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.16 2dno h LYS 80 Cb 1.21 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2dno h LYS 80 CO 0.58 0.01 -0.01 0.37 -2.00 0.00 0.00 179.45 178.40 2dno h GLN 81 N 0.01 0.23 -6.58 0.07 5.75 -1.96 -3.43 115.11 109.20 2dno h GLN 81 Ca 0.39 -0.08 -0.53 0.00 -0.15 0.00 0.00 58.65 58.28 2dno h GLN 81 Cb 1.53 -0.02 0.02 0.00 1.07 0.00 0.00 27.48 30.08 2dno h GLN 81 CO -0.01 0.48 0.60 -0.65 -2.65 0.00 0.00 178.83 176.61 2dno s GLN 82 N -4.92 4.42 0.31 1.69 -1.52 -0.14 -4.98 119.66 114.53 2dno s GLN 82 Ca -0.14 1.90 0.04 0.00 -1.95 0.00 0.00 55.36 55.20 2dno s GLN 82 Cb 0.05 -3.28 -0.03 0.00 -0.22 0.00 0.00 33.01 29.53 2dno s GLN 82 CO 0.71 -0.24 0.18 0.95 -0.25 0.00 0.00 175.29 176.65 2dno s THR 83 N 0.60 0.24 0.31 -0.19 -4.23 -1.26 -4.64 115.64 106.47 2dno s THR 83 Ca 0.58 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.24 2dno s THR 83 Cb -0.33 -2.49 0.32 0.00 1.34 0.00 0.00 72.50 71.34 2dno s THR 83 CO 0.33 0.00 1.38 -0.90 -0.54 0.00 0.00 174.62 174.89 2dno n ASP 84 N -1.05 0.22 0.43 3.99 5.68 -1.26 0.17 116.55 124.75 2dno n ASP 84 Ca 0.02 1.46 -0.19 0.00 -0.50 0.00 0.00 54.79 55.58 2dno n ASP 84 Cb 0.64 -0.67 -0.09 0.00 -1.14 0.00 0.00 41.12 39.85 2dno n ASP 84 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2dno h GLU 85 N 0.00 -1.09 0.64 0.11 4.81 -1.98 0.25 114.58 117.33 2dno h GLU 85 Ca 0.70 0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.98 2dno h GLU 85 Cb 1.79 0.25 -0.00 0.00 0.63 0.00 0.00 28.75 31.41 2dno h GLU 85 CO -0.70 -0.72 -0.39 -0.44 -0.73 0.00 0.00 179.01 176.03 2dno h ASP 86 N -1.13 -0.97 -0.64 1.04 3.32 -0.65 -0.14 116.42 117.24 2dno h ASP 86 Ca -0.11 0.05 0.14 0.00 0.02 0.00 0.00 57.03 57.13 2dno h ASP 86 Cb 0.88 0.28 -0.11 0.00 0.22 0.00 0.00 39.33 40.60 2dno h ASP 86 CO 0.15 -0.60 -0.04 0.58 -1.72 0.00 0.00 179.24 177.62 2dno h VAL 87 N -0.96 0.44 0.66 -1.35 2.07 -1.16 1.34 116.25 117.28 2dno h VAL 87 Ca -0.09 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2dno h VAL 87 Cb 0.77 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2dno h VAL 87 CO 0.09 0.02 -0.50 -0.09 0.02 0.00 0.00 177.57 177.11 2dno h ARG 88 N 0.09 -1.07 0.00 1.57 2.43 -0.35 1.06 114.38 118.10 2dno h ARG 88 Ca 0.33 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 2dno h ARG 88 Cb 0.55 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2dno h ARG 88 CO -0.58 -0.71 0.00 -0.22 -1.51 0.00 0.00 179.97 176.95 2dno h LYS 89 N -1.11 0.00 0.00 0.20 3.64 -0.39 0.56 116.57 119.47 2dno h LYS 89 Ca -0.08 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 2dno h LYS 89 Cb 0.92 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 2dno h LYS 89 CO 0.03 0.00 -1.18 1.98 -2.27 0.00 0.00 179.45 178.00 2dno h MET 90 N 0.00 0.00 0.00 1.90 4.05 0.26 -3.36 114.93 117.78 2dno h MET 90 Ca 0.00 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 2dno h MET 90 Cb 0.30 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 2dno h MET 90 CO 0.00 0.22 -2.06 1.19 0.23 0.00 0.00 176.91 176.50 2dno n PHE 91 N -2.87 0.00 -0.29 1.39 3.01 0.36 -4.38 117.46 114.68 2dno n PHE 91 Ca -0.06 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.39 2dno n PHE 91 Cb 0.74 -0.59 0.10 0.00 -0.01 0.00 0.00 39.48 39.73 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 -0.04 -1.79 114.58 117.01 2dno h GLU 92 Ca -0.11 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.54 2dno h GLU 92 Cb 1.23 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2dno h GLU 92 CO 0.01 0.63 0.46 -1.35 -1.16 0.00 0.00 179.01 177.60 2dno h PRO 93 N 0.98 0.00 -0.13 2.33 0.11 -1.77 0.91 132.00 134.43 2dno h PRO 93 Ca 0.33 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.35 2dno h PRO 93 Cb 0.04 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.09 2dno h PRO 93 CO -0.12 0.00 -0.48 1.19 -0.21 0.00 0.00 178.00 178.38 2dno n PHE 94 N -2.01 0.45 0.00 0.65 3.72 -0.67 -5.06 117.46 114.54 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 0.48 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 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 3.74 3.59 1.37 0.00 0.32 -4.29 105.19 108.84 2dno n GLY 95 Ca 0.24 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.20 4.78 0.25 2.61 2.01 -1.26 -4.06 115.64 117.77 2dno s THR 96 Ca 0.00 0.87 -0.29 0.00 0.31 0.00 0.00 61.69 62.58 2dno s THR 96 Cb 0.00 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.26 2dno s THR 96 CO 0.00 -0.37 0.92 -0.63 -0.69 0.00 0.00 174.62 173.85 2dno s ILE 97 N 2.97 4.13 -0.12 1.82 1.01 -1.26 0.12 121.20 129.87 2dno s ILE 97 Ca 0.30 1.99 -0.02 0.00 0.00 0.00 0.00 60.65 62.92 2dno s ILE 97 Cb -0.14 -4.25 -0.07 0.00 0.01 0.00 0.00 42.46 38.02 2dno s ILE 97 CO 0.16 0.44 -0.12 -0.67 0.00 0.00 0.00 174.94 174.74 2dno n ASP 98 N 1.33 2.22 -3.91 3.58 2.03 0.40 -4.85 116.55 117.35 2dno n ASP 98 Ca -0.02 0.02 -0.25 0.00 0.52 0.00 0.00 54.79 55.06 2dno n ASP 98 Cb 0.48 -0.25 -0.17 0.00 -0.72 0.00 0.00 41.12 40.46 2dno n ASP 98 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2dno s GLU 99 N -2.23 1.39 -0.10 -0.67 2.56 -1.11 -5.02 118.70 113.51 2dno s GLU 99 Ca -0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 54.97 54.56 2dno s GLU 99 Cb 0.05 -1.40 0.03 0.00 2.00 0.00 0.00 34.13 34.81 2dno s GLU 99 CO 0.24 -0.19 -0.00 0.00 -0.56 0.00 0.00 175.26 174.75 2dno s THR 101 N 1.90 1.26 -0.11 0.00 2.01 -0.79 -5.03 115.64 114.88 2dno s THR 101 Ca 0.04 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.40 2dno s THR 101 Cb -0.13 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 2dno s THR 101 CO -0.06 0.38 0.13 -0.69 -0.69 0.00 0.00 174.62 173.69 2dno s VAL 102 N 0.47 5.43 -0.47 3.82 1.01 -1.26 -0.69 120.40 128.71 2dno s VAL 102 Ca -0.12 0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 2dno s VAL 102 Cb -0.15 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.90 2dno s VAL 102 CO 0.04 0.60 0.71 -0.76 0.00 0.00 0.00 175.10 175.69 2dno s LEU 103 N -1.06 4.49 0.28 3.92 1.43 -0.67 -4.98 118.68 122.08 2dno s LEU 103 Ca 0.15 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 52.90 2dno s LEU 103 Cb -0.12 -2.73 -0.06 0.00 0.03 0.00 0.00 46.19 43.31 2dno s LEU 103 CO 0.05 -0.89 -0.03 -0.13 0.23 0.00 0.00 176.35 175.57 2dno s ARG 104 N 3.04 1.52 0.00 1.70 0.52 -1.26 -2.41 118.95 122.06 2dno s ARG 104 Ca 0.24 -1.78 0.00 0.00 -0.52 0.00 0.00 55.73 53.66 2dno s ARG 104 Cb -0.14 -1.00 0.00 0.00 0.52 0.00 0.00 34.95 34.33 2dno s ARG 104 CO 0.18 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.89 2dno n GLY 105 N -0.57 1.63 0.13 -3.53 0.00 -1.10 -4.90 105.19 96.85 2dno n GLY 105 Ca -0.05 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 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 0.32 -1.81 1.61 0.13 -2.02 -3.28 132.00 126.95 2dno h PRO 106 Ca 0.00 -0.32 -0.12 0.00 -0.87 0.00 0.00 66.00 64.69 2dno h PRO 106 Cb 0.00 0.09 -0.05 0.00 0.13 0.00 0.00 31.00 31.17 2dno h PRO 106 CO 0.00 1.01 0.16 -0.25 -0.23 0.00 0.00 178.00 178.68 2dno n ASP 107 N -4.35 5.74 -3.97 1.44 9.92 -1.26 -4.79 116.55 119.28 2dno n ASP 107 Ca -0.10 -2.65 -0.34 0.00 -0.53 0.00 0.00 54.79 51.17 2dno n ASP 107 Cb 0.58 -1.10 -0.06 0.00 -0.64 0.00 0.00 41.12 39.90 2dno n ASP 107 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dno n GLY 108 N 1.06 -0.33 3.65 0.44 0.00 -1.24 -4.86 105.19 103.92 2dno n GLY 108 Ca 0.11 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.82 5.27 -0.61 2.61 2.01 -1.26 -4.88 115.64 115.95 2dno s THR 109 Ca 0.67 0.41 -0.26 0.00 0.31 0.00 0.00 61.69 62.83 2dno s THR 109 Cb -0.39 -3.61 -0.10 0.00 0.01 0.00 0.00 72.50 68.41 2dno s THR 109 CO 0.83 0.28 2.42 -0.24 -0.69 0.00 0.00 174.62 177.22 2dno n SER 110 N 4.59 2.03 -0.37 3.53 2.88 -1.26 -2.72 113.62 122.29 2dno n SER 110 Ca -0.12 -0.81 0.31 0.00 -1.33 0.00 0.00 58.87 56.93 2dno n SER 110 Cb 0.51 -1.57 0.62 0.00 -0.75 0.00 0.00 64.21 63.02 2dno n SER 110 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2dno h LYS 111 N 17.06 0.19 0.00 -1.46 1.57 -1.82 -3.42 116.57 128.69 2dno h LYS 111 Ca -0.15 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2dno h LYS 111 Cb 1.18 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2dno h LYS 111 CO 1.12 0.12 0.00 0.41 -0.57 0.00 0.00 179.45 180.54 2dno n GLY 112 N -1.59 1.55 3.56 3.86 0.00 -1.26 -4.96 105.19 106.36 2dno n GLY 112 Ca 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.90 -1.33 -0.10 0.00 0.00 -0.76 -1.66 121.76 117.00 2dno s ALA 114 Ca -0.05 1.29 -0.10 0.00 0.00 0.00 0.00 51.96 53.10 2dno s ALA 114 Cb -0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 2dno s ALA 114 CO 0.04 -0.28 0.23 -0.06 0.00 0.00 0.00 175.76 175.69 2dno s PHE 115 N -0.26 3.60 -0.04 0.00 0.08 0.14 -0.97 117.98 120.51 2dno s PHE 115 Ca -0.04 0.64 0.05 0.00 0.12 0.00 0.00 56.93 57.69 2dno s PHE 115 Cb -0.03 -2.10 -0.00 0.00 -0.57 0.00 0.00 43.02 40.31 2dno s PHE 115 CO 0.03 0.60 -0.18 0.08 -0.10 0.00 0.00 175.22 175.66 2dno s VAL 116 N -0.71 1.49 -0.35 -0.44 1.01 -0.78 -1.89 120.40 118.73 2dno s VAL 116 Ca 0.17 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2dno s VAL 116 Cb -0.13 -1.27 0.10 0.00 0.00 0.00 0.00 36.38 35.08 2dno s VAL 116 CO 0.06 0.43 0.06 -0.75 0.00 0.00 0.00 175.10 174.90 2dno s LYS 117 N -0.02 1.46 0.99 2.72 2.20 0.91 0.13 119.74 128.14 2dno s LYS 117 Ca -0.03 -1.87 -0.12 0.00 -0.36 0.00 0.00 55.97 53.58 2dno s LYS 117 Cb -0.11 -3.14 0.18 0.00 -1.51 0.00 0.00 37.83 33.24 2dno s LYS 117 CO 0.02 -0.95 1.10 -0.06 -0.36 0.00 0.00 175.35 175.10 2dno s PHE 118 N 0.88 2.16 0.33 4.03 0.40 -1.26 -0.46 117.98 124.06 2dno s PHE 118 Ca 0.11 0.97 0.07 0.00 -0.60 0.00 0.00 56.93 57.49 2dno s PHE 118 Cb -0.19 -3.28 0.60 0.00 0.51 0.00 0.00 43.02 40.66 2dno s PHE 118 CO -0.09 -2.82 1.81 0.37 0.70 0.00 0.00 175.22 175.19 2dno h GLN 119 N -1.84 0.30 -3.65 0.44 5.75 0.52 -3.41 115.11 113.22 2dno h GLN 119 Ca -0.54 -0.10 -0.07 0.00 -0.15 0.00 0.00 58.65 57.79 2dno h GLN 119 Cb 1.33 -0.03 -0.13 0.00 1.07 0.00 0.00 27.48 29.72 2dno h GLN 119 CO 0.58 0.52 -0.23 0.95 -2.65 0.00 0.00 178.83 178.00 2dno s THR 120 N -4.52 0.09 0.07 2.39 -4.23 -1.26 -5.06 115.64 103.12 2dno s THR 120 Ca -0.05 -1.02 -0.36 0.00 -1.18 0.00 0.00 61.69 59.08 2dno s THR 120 Cb 0.14 -1.44 -0.19 0.00 1.34 0.00 0.00 72.50 72.36 2dno s THR 120 CO 0.76 -0.41 1.55 -0.74 -0.54 0.00 0.00 174.62 175.23 2dno h HIS 121 N 2.53 -1.30 -0.85 3.99 2.76 -1.93 -2.02 115.15 118.32 2dno h HIS 121 Ca -0.33 -0.01 0.29 0.00 -2.20 0.00 0.00 60.37 58.12 2dno h HIS 121 Cb 1.23 0.47 -0.16 0.00 1.55 0.00 0.00 27.41 30.50 2dno h HIS 121 CO 0.38 -0.72 0.21 0.00 -1.30 0.00 0.00 177.93 176.50 2dno n ALA 122 N -2.73 0.62 -0.11 5.26 0.00 -1.26 0.23 120.51 122.52 2dno n ALA 122 Ca -0.14 0.89 -0.12 0.00 0.00 0.00 0.00 53.44 54.07 2dno n ALA 122 Cb 0.49 -0.75 0.01 0.00 0.00 0.00 0.00 19.45 19.20 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 0.89 0.23 0.00 4.39 -1.76 -2.84 114.58 115.50 2dno h GLU 123 Ca 0.60 -0.44 0.01 0.00 0.34 0.00 0.00 59.36 59.87 2dno h GLU 123 Cb 1.43 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.05 2dno h GLU 123 CO -0.74 1.09 -0.29 0.00 -1.16 0.00 0.00 179.01 177.91 2dno h ALA 124 N 0.86 -0.56 -0.69 3.43 0.00 0.36 -2.59 119.26 120.08 2dno h ALA 124 Ca 0.07 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2dno h ALA 124 Cb 0.92 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 2dno h ALA 124 CO 0.08 -0.86 0.36 0.37 0.00 0.00 0.00 179.25 179.21 2dno h GLN 125 N -0.57 0.63 -0.79 0.00 -0.00 -1.36 -2.77 115.11 110.24 2dno h GLN 125 Ca 0.00 -0.04 0.08 0.00 -0.00 0.00 0.00 58.65 58.70 2dno h GLN 125 Cb 0.55 -0.14 -0.11 0.00 0.00 0.00 0.00 27.48 27.77 2dno h GLN 125 CO -0.09 0.42 -0.55 0.00 0.00 0.00 0.00 178.83 178.61 2dno h ALA 126 N 1.39 -0.52 0.04 3.38 0.00 -1.20 0.11 119.26 122.45 2dno h ALA 126 Ca 0.32 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.34 2dno h ALA 126 Cb 0.27 1.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2dno h ALA 126 CO -0.22 -0.95 -0.20 0.00 0.00 0.00 0.00 179.25 177.88 2dno h ALA 127 N 0.45 -0.71 -0.79 0.00 0.00 -1.38 -2.83 119.26 113.99 2dno h ALA 127 Ca 0.16 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2dno h ALA 127 Cb 0.49 0.63 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 2dno h ALA 127 CO -0.82 -0.76 -0.48 0.82 0.00 0.00 0.00 179.25 178.00 2dno h ILE 128 N -0.28 0.03 -0.74 0.00 2.04 -1.37 0.99 117.51 118.18 2dno h ILE 128 Ca -0.00 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.16 2dno h ILE 128 Cb 0.28 0.03 -0.13 0.00 -0.74 0.00 0.00 36.82 36.27 2dno h ILE 128 CO -0.11 0.00 0.40 -3.20 0.00 0.00 0.00 178.15 175.24 2dno n ASN 129 N -5.37 0.25 0.00 1.72 2.85 0.35 -0.28 115.26 114.77 2dno n ASN 129 Ca 0.03 1.19 0.00 0.00 -0.11 0.00 0.00 54.58 55.69 2dno n ASN 129 Cb 0.33 -0.58 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 -4.61 0.00 -0.26 -0.44 -1.04 0.11 -4.65 114.28 103.40 2dno n THR 130 Ca 0.28 0.24 0.25 0.00 -2.04 0.00 0.00 64.05 62.77 2dno n THR 130 Cb 0.94 -1.20 0.44 0.00 -1.82 0.00 0.00 70.33 68.70 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 0.23 -4.58 -4.42 4.77 0.30 -3.76 117.00 107.26 2dno n LEU 131 Ca 0.00 1.14 -0.51 0.00 -0.03 0.00 0.00 56.01 56.61 2dno n LEU 131 Cb 0.00 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 2dno n LEU 131 CO 0.00 -1.27 1.61 1.57 -1.33 0.00 0.00 177.39 177.97 2dno n HIS 132 N -4.50 1.94 -4.10 -1.77 -0.00 0.61 -1.14 115.22 106.26 2dno n HIS 132 Ca 0.28 0.22 -0.31 0.00 0.46 0.00 0.00 57.72 58.37 2dno n HIS 132 Cb 0.98 -2.57 -0.02 0.00 -0.12 0.00 0.00 29.99 28.26 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 8.04 -2.06 0.00 0.26 2.88 0.16 -4.90 113.62 118.01 2dno n SER 133 Ca 0.32 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.85 2dno n SER 133 Cb 0.24 -2.90 0.00 0.00 -0.75 0.00 0.00 64.21 60.80 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 -2.81 0.00 -5.01 -3.46 2.88 -0.29 -4.85 113.62 100.09 2dno n SER 134 Ca -0.09 0.10 -0.18 0.00 -1.33 0.00 0.00 58.87 57.37 2dno n SER 134 Cb 0.58 -0.25 0.02 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 -0.50 2.73 -0.61 -1.46 1.70 -1.26 -4.87 118.95 114.67 2dno s ARG 135 Ca 0.00 -1.27 0.04 0.00 -0.47 0.00 0.00 55.73 54.04 2dno s ARG 135 Cb 0.00 -2.73 0.16 0.00 -0.57 0.00 0.00 34.95 31.81 2dno s ARG 135 CO 0.00 -0.39 0.40 0.99 -1.08 0.00 0.00 175.30 175.22 2dno s THR 136 N -2.42 2.51 0.44 4.99 2.01 -1.26 0.00 115.64 121.91 2dno s THR 136 Ca 0.56 -3.77 -0.19 0.00 0.31 0.00 0.00 61.69 58.61 2dno s THR 136 Cb -0.09 -2.68 -0.15 0.00 0.01 0.00 0.00 72.50 69.59 2dno s THR 136 CO 0.34 -0.96 -0.03 0.18 -0.69 0.00 0.00 174.62 173.46 2dno n LEU 137 N 2.46 -3.20 -4.54 4.42 4.77 -1.26 -4.72 117.00 114.93 2dno n LEU 137 Ca 0.16 0.70 -0.51 0.00 -0.03 0.00 0.00 56.01 56.32 2dno n LEU 137 Cb 0.35 -0.83 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 2dno n LEU 137 CO 0.27 -4.37 0.62 -2.65 -1.33 0.00 0.00 177.39 169.94 2dno n PRO 138 N 1.38 0.80 -3.77 3.23 -0.02 -1.26 -2.30 135.00 133.05 2dno n PRO 138 Ca 0.09 0.29 -0.34 0.00 -2.02 0.00 0.00 63.50 61.51 2dno n PRO 138 Cb 0.42 -1.74 0.04 0.00 -0.02 0.00 0.00 33.50 32.20 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 1.96 -0.92 2.73 -1.23 0.00 -1.26 -4.81 105.19 101.66 2dno n GLY 139 Ca 0.17 0.42 -0.27 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.51 0.89 0.00 4.61 0.00 -0.97 -4.95 121.76 117.83 2dno s ALA 140 Ca 0.45 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2dno s ALA 140 Cb -0.18 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.86 2dno s ALA 140 CO 0.88 -1.03 0.43 0.43 0.00 0.00 0.00 175.76 176.48 2dno n SER 141 N 5.09 0.00 -4.09 0.00 7.64 -1.26 -4.60 113.62 116.39 2dno n SER 141 Ca -0.08 0.43 -0.14 0.00 1.01 0.00 0.00 58.87 60.09 2dno n SER 141 Cb 0.48 -0.13 0.05 0.00 -1.01 0.00 0.00 64.21 63.60 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 -1.57 1.48 -4.44 6.43 2.88 -1.26 -5.11 113.62 112.03 2dno n SER 142 Ca 0.00 -2.09 -0.29 0.00 -1.33 0.00 0.00 58.87 55.16 2dno n SER 142 Cb 0.00 -0.31 0.15 0.00 -0.75 0.00 0.00 64.21 63.30 2dno n SER 142 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dno s SER 143 N -3.60 3.39 -0.58 -3.46 0.01 -1.26 -4.67 113.70 103.53 2dno s SER 143 Ca 0.44 0.57 -0.28 0.00 1.31 0.00 0.00 55.95 57.98 2dno s SER 143 Cb -0.03 -0.85 -0.11 0.00 0.21 0.00 0.00 66.02 65.24 2dno s SER 143 CO 0.28 -2.58 2.45 -0.11 0.41 0.00 0.00 173.24 173.69 2dno n LEU 144 N -3.72 1.89 -4.56 2.44 7.94 0.10 -4.68 117.00 116.40 2dno n LEU 144 Ca 0.11 -0.23 -0.41 0.00 -1.11 0.00 0.00 56.01 54.37 2dno n LEU 144 Cb 0.60 -1.40 -0.03 0.00 0.53 0.00 0.00 43.42 43.12 2dno n LEU 144 CO 0.51 -1.26 1.19 -0.69 -1.11 0.00 0.00 177.39 176.03 2dno s VAL 145 N 10.84 3.79 -0.19 1.96 1.01 -1.23 0.39 120.40 136.98 2dno s VAL 145 Ca 1.08 0.57 -0.01 0.00 0.00 0.00 0.00 61.98 63.62 2dno s VAL 145 Cb -0.50 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.15 2dno s VAL 145 CO 0.34 -1.55 -0.12 -0.69 0.00 0.00 0.00 175.10 173.07 2dno s VAL 146 N 5.78 2.77 -0.14 2.92 1.01 -1.26 0.17 120.40 131.64 2dno s VAL 146 Ca 0.42 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 2dno s VAL 146 Cb -0.09 -2.21 0.05 0.00 0.00 0.00 0.00 36.38 34.14 2dno s VAL 146 CO 0.20 0.49 0.51 -1.59 0.00 0.00 0.00 175.10 174.71 2dno s LYS 147 N 1.19 0.70 0.46 2.72 -2.85 -0.87 -4.58 119.74 116.51 2dno s LYS 147 Ca 0.02 0.50 -0.18 0.00 -1.00 0.00 0.00 55.97 55.30 2dno s LYS 147 Cb -0.14 0.33 -0.15 0.00 -2.06 0.00 0.00 37.83 35.81 2dno s LYS 147 CO -0.05 -0.13 -0.07 1.19 0.10 0.00 0.00 175.35 176.39 2dno n PHE 148 N 2.23 -2.62 -3.29 1.78 3.72 -1.26 -0.13 117.46 117.89 2dno n PHE 148 Ca -0.16 0.49 -0.20 0.00 -0.05 0.00 0.00 57.45 57.54 2dno n PHE 148 Cb 0.56 -1.67 0.00 0.00 -0.94 0.00 0.00 39.48 37.44 2dno n PHE 148 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dno s ALA 149 N -1.87 4.17 -0.07 4.37 0.00 -1.13 -4.10 121.76 123.14 2dno s ALA 149 Ca 0.56 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2dno s ALA 149 Cb -0.52 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 20.84 2dno s ALA 149 CO 0.64 -0.16 -0.13 0.16 0.00 0.00 0.00 175.76 176.27 2dno s ASP 150 N -4.21 1.85 -0.13 0.00 1.47 -1.26 -4.88 116.67 109.50 2dno s ASP 150 Ca 0.47 -0.31 -0.02 0.00 1.18 0.00 0.00 52.55 53.87 2dno s ASP 150 Cb -0.10 -0.84 -0.02 0.00 -0.34 0.00 0.00 42.92 41.62 2dno s ASP 150 CO 0.33 0.04 -0.07 -0.89 0.68 0.00 0.00 175.17 175.26 2dno s THR 151 N 0.62 3.61 0.02 2.11 2.01 -1.26 -5.06 115.64 117.70 2dno s THR 151 Ca -0.14 -0.47 -0.31 0.00 0.31 0.00 0.00 61.69 61.08 2dno s THR 151 Cb -0.16 -2.55 -0.16 0.00 0.01 0.00 0.00 72.50 69.65 2dno s THR 151 CO 0.04 0.52 0.81 -0.62 -0.69 0.00 0.00 174.62 174.68 2dno n GLU 152 N 3.28 0.00 -3.98 4.92 -0.58 -1.26 -4.95 120.64 118.07 2dno n GLU 152 Ca -0.18 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.33 2dno n GLU 152 Cb 0.53 -1.16 -0.05 0.00 -0.57 0.00 0.00 31.44 30.18 2dno n GLU 152 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2dno n LYS 153 N 1.16 0.99 -3.68 3.49 0.00 -1.26 -5.12 118.16 113.75 2dno n LYS 153 Ca 0.16 -2.76 -0.29 0.00 -0.00 0.00 0.00 58.31 55.42 2dno n LYS 153 Cb 0.09 0.88 -0.13 0.00 -0.00 0.00 0.00 35.03 35.87 2dno n LYS 153 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2dno s GLU 154 N -3.34 1.28 -0.09 -1.58 2.12 -1.26 -5.10 118.70 110.72 2dno s GLU 154 Ca 0.03 -2.06 -0.01 0.00 0.36 0.00 0.00 54.97 53.30 2dno s GLU 154 Cb 0.00 -2.25 -0.03 0.00 0.26 0.00 0.00 34.13 32.12 2dno s GLU 154 CO 0.02 -1.19 -0.05 -1.54 -0.54 0.00 0.00 175.26 171.96 2dno s SER 155 N 0.26 4.81 0.00 -1.70 1.04 -1.26 -5.07 113.70 111.77 2dno s SER 155 Ca 0.20 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.62 2dno s SER 155 Cb -0.20 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.54 2dno s SER 155 CO -0.03 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.12 2dno n GLY 156 N 2.51 -0.34 3.46 7.32 0.00 -1.26 -5.14 105.19 111.73 2dno n GLY 156 Ca -0.18 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 2dno n GLY 156 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dno n PRO 157 N -0.85 0.58 -0.06 1.61 -0.02 -1.26 -4.93 135.00 130.07 2dno n PRO 157 Ca 0.00 0.21 -0.17 0.00 -2.02 0.00 0.00 63.50 61.52 2dno n PRO 157 Cb 0.00 -1.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.90 2dno n PRO 157 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2dno h SER 158 N 1.00 0.07 -3.86 2.55 0.87 -2.02 -3.42 113.55 108.74 2dno h SER 158 Ca -0.38 -0.86 -0.67 0.00 -1.23 0.00 0.00 61.79 58.65 2dno h SER 158 Cb 1.40 -0.02 -0.39 0.00 -0.44 0.00 0.00 62.40 62.95 2dno h SER 158 CO 0.54 1.20 -0.63 -0.94 -0.53 0.00 0.00 176.83 176.47 2dno s SER 159 N -6.51 4.80 0.00 6.23 1.04 -1.26 -5.30 113.70 112.70 2dno s SER 159 Ca -0.21 -2.41 0.00 0.00 0.48 0.00 0.00 55.95 53.81 2dno s SER 159 Cb 0.00 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.43 2dno s SER 159 CO 0.69 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 175.14