#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgt s SER 69 N 0.00 1.77 0.16 1.61 0.15 -1.26 -5.05 113.70 111.08 2dgt s SER 69 Ca 0.00 -0.41 -0.23 0.00 0.70 0.00 0.00 55.95 56.01 2dgt s SER 69 Cb 0.00 -0.14 0.05 0.00 -1.71 0.00 0.00 66.02 64.22 2dgt s SER 69 CO 0.00 0.09 1.61 0.28 1.20 0.00 0.00 173.24 176.42 2dgt h SER 70 N 5.15 -0.95 0.00 5.45 0.02 -2.00 -3.48 113.55 117.75 2dgt h SER 70 Ca -0.38 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2dgt h SER 70 Cb 1.17 0.45 0.00 0.00 0.14 0.00 0.00 62.40 64.16 2dgt h SER 70 CO 0.45 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.44 2dgt n GLY 71 N -1.40 1.87 3.55 -3.77 0.00 -1.26 -5.02 105.19 99.15 2dgt n GLY 71 Ca 0.00 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 2dgt n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dgt s SER 72 N -4.00 5.25 0.31 1.61 1.04 -1.26 -4.84 113.70 111.80 2dgt s SER 72 Ca 0.00 0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.70 2dgt s SER 72 Cb 0.00 -2.53 0.79 0.00 0.10 0.00 0.00 66.02 64.38 2dgt s SER 72 CO 0.00 -2.42 1.59 0.28 0.98 0.00 0.00 173.24 173.66 2dgt h SER 73 N 14.62 -0.30 -2.81 7.02 0.02 -1.95 -3.40 113.55 126.74 2dgt h SER 73 Ca -0.22 0.26 -0.59 0.00 -0.84 0.00 0.00 61.79 60.40 2dgt h SER 73 Cb 1.15 0.42 0.11 0.00 0.14 0.00 0.00 62.40 64.22 2dgt h SER 73 CO 1.22 -0.32 0.25 0.61 -1.14 0.00 0.00 176.83 177.44 2dgt n GLY 74 N -1.45 0.00 3.56 -3.77 0.00 -1.26 -4.98 105.19 97.29 2dgt n GLY 74 Ca 0.24 0.30 -0.06 0.00 0.00 0.00 0.00 46.02 46.49 2dgt n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dgt s LYS 75 N -1.71 0.53 -0.08 1.61 2.20 -1.26 -5.10 119.74 115.93 2dgt s LYS 75 Ca 0.58 -0.16 -0.08 0.00 -0.36 0.00 0.00 55.97 55.95 2dgt s LYS 75 Cb -0.64 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 35.90 2dgt s LYS 75 CO 0.60 -0.23 -0.15 0.00 -0.36 0.00 0.00 175.35 175.22 2dgt n ALA 76 N -0.07 0.38 -0.62 3.13 0.00 -1.26 -5.02 120.51 117.05 2dgt n ALA 76 Ca -0.04 -0.50 -0.30 0.00 0.00 0.00 0.00 53.44 52.60 2dgt n ALA 76 Cb 0.60 0.01 0.27 0.00 0.00 0.00 0.00 19.45 20.33 2dgt n ALA 76 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dgt s SER 77 N -4.82 -0.24 0.12 0.00 0.01 -1.26 -4.85 113.70 102.66 2dgt s SER 77 Ca -0.12 0.85 0.09 0.00 1.31 0.00 0.00 55.95 58.08 2dgt s SER 77 Cb 0.02 -1.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.99 2dgt s SER 77 CO 0.19 -4.86 -0.23 0.42 0.41 0.00 0.00 173.24 169.16 2dgt s THR 78 N -2.52 1.94 -0.05 1.44 -4.23 -0.10 -4.97 115.64 107.14 2dgt s THR 78 Ca 0.69 -1.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.58 2dgt s THR 78 Cb -0.13 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 71.96 2dgt s THR 78 CO 0.58 -0.02 -0.14 -0.75 -0.54 0.00 0.00 174.62 173.75 2dgt s LYS 79 N -2.03 1.65 -0.05 3.99 2.47 -1.26 0.15 119.74 124.66 2dgt s LYS 79 Ca 0.10 -0.49 0.06 0.00 -1.56 0.00 0.00 55.97 54.08 2dgt s LYS 79 Cb -0.10 -1.41 -0.01 0.00 -1.46 0.00 0.00 37.83 34.85 2dgt s LYS 79 CO 0.05 0.14 -0.23 -0.51 0.16 0.00 0.00 175.35 174.96 2dgt s LEU 80 N 0.30 2.03 -0.05 5.43 1.43 -0.05 -1.85 118.68 125.91 2dgt s LEU 80 Ca -0.08 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2dgt s LEU 80 Cb -0.13 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 2dgt s LEU 80 CO 0.03 0.23 0.04 -2.28 0.23 0.00 0.00 176.35 174.60 2dgt s HIS 81 N -0.20 3.22 0.05 0.29 5.65 0.72 -0.22 115.29 124.81 2dgt s HIS 81 Ca -0.01 0.21 0.06 0.00 0.25 0.00 0.00 55.06 55.57 2dgt s HIS 81 Cb -0.12 -1.77 -0.03 0.00 -1.18 0.00 0.00 32.58 29.48 2dgt s HIS 81 CO 0.02 0.52 -0.17 0.08 -0.65 0.00 0.00 174.74 174.54 2dgt s VAL 82 N -1.02 1.39 0.26 0.89 1.01 -0.58 -1.22 120.40 121.13 2dgt s VAL 82 Ca 0.17 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 61.01 2dgt s VAL 82 Cb -0.12 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 2dgt s VAL 82 CO 0.07 0.04 0.01 -0.83 0.00 0.00 0.00 175.10 174.40 2dgt s GLY 83 N -1.32 1.72 -1.16 4.51 0.00 -0.32 0.06 107.32 110.81 2dgt s GLY 83 Ca 0.04 -1.86 -0.03 0.00 0.00 0.00 0.00 44.72 42.87 2dgt s GLY 83 CO 0.02 -1.71 0.92 -2.01 0.00 0.00 0.00 173.10 170.31 2dgt n ASN 84 N -0.50 -3.71 -4.91 1.64 5.15 0.63 -2.22 115.26 111.33 2dgt n ASN 84 Ca -0.04 -0.70 -0.27 0.00 -0.60 0.00 0.00 54.58 52.97 2dgt n ASN 84 Cb 0.65 -4.90 0.03 0.00 -0.53 0.00 0.00 39.78 35.03 2dgt n ASN 84 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2dgt s ILE 85 N -3.42 3.69 0.32 -1.44 -1.09 -0.21 -4.19 121.20 114.87 2dgt s ILE 85 Ca 0.19 0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 58.64 2dgt s ILE 85 Cb -0.03 -3.48 -0.05 0.00 -1.58 0.00 0.00 42.46 37.33 2dgt s ILE 85 CO 0.75 -0.51 0.58 -0.44 -1.23 0.00 0.00 174.94 174.10 2dgt s SER 86 N -4.30 6.40 0.37 3.58 0.01 -1.26 -4.75 113.70 113.75 2dgt s SER 86 Ca 0.54 0.69 0.16 0.00 1.31 0.00 0.00 55.95 58.66 2dgt s SER 86 Cb -0.11 -2.14 0.73 0.00 0.21 0.00 0.00 66.02 64.72 2dgt s SER 86 CO 0.46 -0.26 1.78 1.55 0.41 0.00 0.00 173.24 177.18 2dgt h PRO 87 N 1.32 0.00 -0.02 12.44 0.13 -1.95 -2.76 132.00 141.17 2dgt h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2dgt h PRO 87 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dgt h PRO 87 CO 0.65 0.38 -0.22 0.25 -0.23 0.00 0.00 178.00 178.83 2dgt n THR 88 N -3.77 0.00 -1.63 1.56 -2.24 -1.26 -4.96 114.28 101.97 2dgt n THR 88 Ca -0.01 -0.30 -0.50 0.00 -2.27 0.00 0.00 64.05 60.97 2dgt n THR 88 Cb 0.46 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 2dgt n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dgt s THR 90 N 1.02 2.51 0.29 0.00 -1.32 -1.26 -5.00 115.64 111.88 2dgt s THR 90 Ca 0.84 -1.29 0.04 0.00 -1.21 0.00 0.00 61.69 60.06 2dgt s THR 90 Cb -0.84 -2.03 0.28 0.00 -1.51 0.00 0.00 72.50 68.40 2dgt s THR 90 CO 0.45 0.34 1.76 0.78 -2.21 0.00 0.00 174.62 175.74 2dgt h ASN 91 N 4.61 0.65 -0.04 8.08 4.21 -1.94 0.55 115.58 131.69 2dgt h ASN 91 Ca -0.47 0.10 0.01 0.00 1.21 0.00 0.00 56.30 57.15 2dgt h ASN 91 Cb 1.15 -0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.35 2dgt h ASN 91 CO 0.46 0.22 0.09 -0.61 -1.29 0.00 0.00 177.43 176.29 2dgt h GLN 92 N 0.67 0.00 0.00 0.81 4.15 -1.98 0.14 115.11 118.90 2dgt h GLN 92 Ca 0.55 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.96 2dgt h GLN 92 Cb 0.86 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.55 2dgt h GLN 92 CO -0.40 0.00 -0.44 0.93 -1.93 0.00 0.00 178.83 176.99 2dgt h GLU 93 N 0.00 0.00 0.20 1.69 4.39 -0.34 -3.26 114.58 117.27 2dgt h GLU 93 Ca 0.02 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.73 2dgt h GLU 93 Cb 0.19 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2dgt h GLU 93 CO -0.00 0.04 -0.25 1.25 -1.16 0.00 0.00 179.01 178.88 2dgt h LEU 94 N -1.00 -0.69 0.01 1.33 5.85 -1.20 -1.11 115.31 118.51 2dgt h LEU 94 Ca -0.01 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2dgt h LEU 94 Cb 0.45 0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 2dgt h LEU 94 CO -0.01 -0.36 -0.41 -0.09 -0.34 0.00 0.00 178.44 177.24 2dgt h ARG 95 N -0.51 -0.50 -0.75 1.25 2.43 -0.94 -1.53 114.38 113.83 2dgt h ARG 95 Ca 0.01 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.38 2dgt h ARG 95 Cb 0.49 0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 30.03 2dgt h ARG 95 CO -0.09 -0.34 0.06 0.00 -1.51 0.00 0.00 179.97 178.10 2dgt h ALA 96 N -0.70 0.84 -0.98 2.80 0.00 -1.58 0.53 119.26 120.17 2dgt h ALA 96 Ca 0.01 0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.27 2dgt h ALA 96 Cb 0.55 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 2dgt h ALA 96 CO -0.27 -0.41 0.60 -0.22 0.00 0.00 0.00 179.25 178.96 2dgt h LYS 97 N 0.15 0.87 0.00 0.00 3.64 -0.40 -0.32 116.57 120.50 2dgt h LYS 97 Ca 0.42 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.57 2dgt h LYS 97 Cb 0.74 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2dgt h LYS 97 CO -0.62 0.57 -0.90 0.74 -2.27 0.00 0.00 179.45 176.98 2dgt h PHE 98 N 0.89 0.00 0.00 1.91 -1.00 0.45 -3.22 116.94 115.97 2dgt h PHE 98 Ca 0.51 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.29 2dgt h PHE 98 Cb 0.60 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.16 2dgt h PHE 98 CO -0.01 0.81 -0.00 0.93 -1.61 0.00 0.00 178.31 178.42 2dgt h GLU 99 N 0.00 0.00 0.00 1.51 5.08 0.16 -1.88 114.58 119.45 2dgt h GLU 99 Ca -0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2dgt h GLU 99 Cb 1.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 2dgt h GLU 99 CO 0.10 0.00 -0.14 0.93 -1.00 0.00 0.00 179.01 178.91 2dgt h GLU 100 N 0.00 0.00 0.00 2.33 5.08 -1.43 -3.16 114.58 117.41 2dgt h GLU 100 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2dgt h GLU 100 Cb 0.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2dgt h GLU 100 CO 0.00 0.14 -1.16 1.88 -1.00 0.00 0.00 179.01 178.87 2dgt h TYR 101 N 0.00 0.00 -3.72 4.33 -1.99 -1.56 -3.50 116.97 110.53 2dgt h TYR 101 Ca -0.00 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.60 2dgt h TYR 101 Cb 0.30 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 38.96 2dgt h TYR 101 CO 0.00 1.36 -0.08 0.20 -0.00 0.00 0.00 178.16 179.64 2dgt s GLY 102 N -4.78 0.87 -0.93 3.88 0.00 -1.16 -4.84 107.32 100.35 2dgt s GLY 102 Ca -0.27 -1.10 -0.24 0.00 0.00 0.00 0.00 44.72 43.11 2dgt s GLY 102 CO 0.57 -0.71 1.94 2.56 0.00 0.00 0.00 173.10 177.45 2dgt s PRO 103 N -3.38 2.56 0.56 2.90 0.04 -1.26 -4.05 135.00 132.36 2dgt s PRO 103 Ca 0.24 -0.39 -0.19 0.00 0.04 0.00 0.00 61.00 60.70 2dgt s PRO 103 Cb -0.01 -5.09 -0.07 0.00 0.04 0.00 0.00 34.50 29.37 2dgt s PRO 103 CO 0.14 -3.43 0.83 0.28 0.04 0.00 0.00 177.00 174.86 2dgt n VAL 104 N 7.86 3.01 -0.08 -0.36 0.31 -1.26 -4.13 118.33 123.68 2dgt n VAL 104 Ca 0.41 -0.50 -0.08 0.00 -0.01 0.00 0.00 64.34 64.16 2dgt n VAL 104 Cb 0.47 -1.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.37 2dgt n VAL 104 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2dgt n ILE 105 N -1.48 1.33 -3.67 2.52 5.41 0.15 -4.94 119.36 118.69 2dgt n ILE 105 Ca 0.12 0.18 -0.11 0.00 1.00 0.00 0.00 62.75 63.94 2dgt n ILE 105 Cb 0.46 -2.25 -0.11 0.00 -0.71 0.00 0.00 39.64 37.02 2dgt n ILE 105 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2dgt s GLU 106 N -2.69 0.26 -0.07 0.38 0.41 -1.12 -4.99 118.70 110.87 2dgt s GLU 106 Ca -0.26 0.86 0.01 0.00 -0.41 0.00 0.00 54.97 55.17 2dgt s GLU 106 Cb 0.04 0.11 -0.03 0.00 -1.78 0.00 0.00 34.13 32.47 2dgt s GLU 106 CO 0.38 -0.24 -0.07 0.00 -0.49 0.00 0.00 175.26 174.84 2dgt s ASP 108 N -0.78 0.25 0.14 0.00 1.11 -0.54 -5.00 116.67 111.85 2dgt s ASP 108 Ca 0.12 0.03 -0.08 0.00 0.18 0.00 0.00 52.55 52.79 2dgt s ASP 108 Cb -0.11 -0.11 -0.06 0.00 1.07 0.00 0.00 42.92 43.71 2dgt s ASP 108 CO 0.01 -0.14 0.44 -0.63 1.18 0.00 0.00 175.17 176.04 2dgt s ILE 109 N 1.17 5.06 0.36 0.77 1.01 -1.26 -1.10 121.20 127.21 2dgt s ILE 109 Ca -0.08 0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.96 2dgt s ILE 109 Cb -0.13 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 2dgt s ILE 109 CO -0.03 0.11 0.09 -0.69 0.00 0.00 0.00 174.94 174.43 2dgt s VAL 110 N -1.60 0.86 0.00 2.92 1.01 0.31 -4.92 120.40 118.98 2dgt s VAL 110 Ca 0.40 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.38 2dgt s VAL 110 Cb -0.13 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2dgt s VAL 110 CO 0.21 0.00 0.59 0.29 0.00 0.00 0.00 175.10 176.20 2dgt n LYS 111 N -0.77 0.00 -0.03 2.72 5.02 -1.26 -3.34 118.16 120.49 2dgt n LYS 111 Ca -0.04 0.59 0.03 0.00 -2.02 0.00 0.00 58.31 56.87 2dgt n LYS 111 Cb 0.66 -1.00 0.05 0.00 -0.02 0.00 0.00 35.03 34.71 2dgt n LYS 111 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2dgt n ASP 112 N -1.79 2.16 -2.63 4.39 5.68 -1.26 -4.68 116.55 118.42 2dgt n ASP 112 Ca 0.00 -2.27 -0.14 0.00 -0.50 0.00 0.00 54.79 51.88 2dgt n ASP 112 Cb 0.00 -0.12 -0.06 0.00 -1.14 0.00 0.00 41.12 39.80 2dgt n ASP 112 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dgt n TYR 113 N -0.66 -0.56 -3.76 2.11 4.11 -1.21 0.23 117.16 117.42 2dgt n TYR 113 Ca 0.05 -2.03 -0.08 0.00 -0.00 0.00 0.00 57.90 55.84 2dgt n TYR 113 Cb 0.36 0.21 0.03 0.00 -0.00 0.00 0.00 39.34 39.93 2dgt n TYR 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2dgt n ALA 114 N -1.35 -1.78 -3.56 -3.48 0.00 0.11 0.12 120.51 110.57 2dgt n ALA 114 Ca -0.09 -1.16 -0.06 0.00 0.00 0.00 0.00 53.44 52.14 2dgt n ALA 114 Cb 0.44 0.89 -0.07 0.00 0.00 0.00 0.00 19.45 20.71 2dgt n ALA 114 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2dgt s PHE 115 N -2.57 -1.00 -0.30 0.00 0.40 -0.26 -1.53 117.98 112.71 2dgt s PHE 115 Ca 0.16 1.62 -0.06 0.00 -0.60 0.00 0.00 56.93 58.04 2dgt s PHE 115 Cb -0.04 0.40 0.02 0.00 0.51 0.00 0.00 43.02 43.91 2dgt s PHE 115 CO 0.10 -0.60 0.07 0.08 0.70 0.00 0.00 175.22 175.58 2dgt s VAL 116 N 2.69 3.78 -0.53 -0.44 1.01 0.69 -1.47 120.40 126.14 2dgt s VAL 116 Ca 0.02 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 60.86 2dgt s VAL 116 Cb -0.13 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.27 2dgt s VAL 116 CO -0.15 0.01 1.05 -2.28 0.00 0.00 0.00 175.10 173.72 2dgt s HIS 117 N 1.45 2.77 0.59 5.22 2.46 0.24 -0.88 115.29 127.14 2dgt s HIS 117 Ca 0.01 0.33 -0.01 0.00 0.47 0.00 0.00 55.06 55.86 2dgt s HIS 117 Cb -0.18 -4.25 0.04 0.00 -0.13 0.00 0.00 32.58 28.06 2dgt s HIS 117 CO 0.02 -1.36 0.84 -1.64 -2.47 0.00 0.00 174.74 170.14 2dgt s MET 118 N 4.31 2.46 -0.17 2.88 -1.94 0.40 0.33 119.30 127.57 2dgt s MET 118 Ca 0.39 -0.61 -0.14 0.00 -1.71 0.00 0.00 55.69 53.62 2dgt s MET 118 Cb -0.09 -2.39 -0.07 0.00 2.01 0.00 0.00 34.83 34.29 2dgt s MET 118 CO 0.25 -0.85 -0.30 -1.91 -0.01 0.00 0.00 175.02 172.20 2dgt n GLU 119 N -2.51 0.46 -4.07 2.03 4.07 -1.26 -0.92 120.64 118.45 2dgt n GLU 119 Ca 0.08 0.19 -0.35 0.00 -0.06 0.00 0.00 57.16 57.02 2dgt n GLU 119 Cb 0.60 -1.30 -0.09 0.00 -0.06 0.00 0.00 31.44 30.59 2dgt n GLU 119 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2dgt s ARG 120 N -2.66 3.61 0.12 5.31 0.52 -1.26 -3.97 118.95 120.63 2dgt s ARG 120 Ca -0.27 -0.31 -0.21 0.00 -0.52 0.00 0.00 55.73 54.41 2dgt s ARG 120 Cb 0.06 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 2dgt s ARG 120 CO 0.38 0.49 1.69 0.00 0.02 0.00 0.00 175.30 177.88 2dgt h ALA 121 N 5.92 0.01 -1.40 2.13 0.00 -1.94 -1.30 119.26 122.69 2dgt h ALA 121 Ca -0.44 0.05 0.47 0.00 0.00 0.00 0.00 54.91 54.99 2dgt h ALA 121 Cb 1.19 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 19.06 2dgt h ALA 121 CO 0.64 -0.54 0.91 0.93 0.00 0.00 0.00 179.25 181.19 2dgt h GLU 122 N -0.10 0.04 0.16 0.00 5.08 -1.99 0.71 114.58 118.47 2dgt h GLU 122 Ca 0.08 -0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.14 2dgt h GLU 122 Cb 0.22 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.47 2dgt h GLU 122 CO -0.19 0.02 -1.50 -0.44 -1.00 0.00 0.00 179.01 175.90 2dgt h ASP 123 N 0.04 0.53 0.33 1.42 3.32 -1.62 -3.23 116.42 117.21 2dgt h ASP 123 Ca 0.86 -0.91 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2dgt h ASP 123 Cb 2.80 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 42.17 2dgt h ASP 123 CO -0.41 1.68 -0.18 0.00 -1.72 0.00 0.00 179.24 178.60 2dgt h ALA 124 N 0.05 -0.47 -0.75 3.45 0.00 0.13 0.14 119.26 121.80 2dgt h ALA 124 Ca -0.30 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.62 2dgt h ALA 124 Cb 1.93 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 19.85 2dgt h ALA 124 CO 0.14 -0.77 0.38 0.28 0.00 0.00 0.00 179.25 179.28 2dgt h VAL 125 N -0.48 0.83 0.15 0.00 2.07 -0.64 -2.49 116.25 115.68 2dgt h VAL 125 Ca -0.04 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2dgt h VAL 125 Cb 0.38 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2dgt h VAL 125 CO 0.06 0.11 -0.07 -0.33 0.02 0.00 0.00 177.57 177.36 2dgt h GLU 126 N 0.63 -0.19 -1.18 1.57 5.08 -1.52 -2.56 114.58 116.41 2dgt h GLU 126 Ca 0.38 0.01 0.34 0.00 -1.00 0.00 0.00 59.36 59.09 2dgt h GLU 126 Cb 0.43 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 2dgt h GLU 126 CO -0.29 0.11 1.02 0.00 -1.00 0.00 0.00 179.01 178.86 2dgt h ALA 127 N 0.29 3.06 0.00 3.43 0.00 -0.27 -0.41 119.26 125.36 2dgt h ALA 127 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2dgt h ALA 127 Cb 0.39 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2dgt h ALA 127 CO 0.03 -1.63 -0.09 0.82 0.00 0.00 0.00 179.25 178.39 2dgt h ILE 128 N 0.00 0.00 -0.12 0.00 2.04 -1.22 -0.45 117.51 117.76 2dgt h ILE 128 Ca 0.56 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.74 2dgt h ILE 128 Cb 2.60 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 2dgt h ILE 128 CO -0.01 0.00 0.64 -0.09 0.00 0.00 0.00 178.15 178.69 2dgt h ARG 129 N -0.71 0.00 0.00 2.37 2.43 -0.88 1.88 114.38 119.47 2dgt h ARG 129 Ca 0.00 0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 58.74 2dgt h ARG 129 Cb 0.09 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 2dgt h ARG 129 CO 0.00 0.00 -2.39 0.41 -1.51 0.00 0.00 179.97 176.48 2dgt n GLY 130 N -1.38 -0.49 0.22 2.80 0.00 -0.27 -4.39 105.19 101.69 2dgt n GLY 130 Ca 0.02 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2dgt n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dgt n LEU 131 N -4.15 0.68 -4.64 0.99 4.77 -0.18 -4.75 117.00 109.73 2dgt n LEU 131 Ca -0.51 -0.26 -0.43 0.00 -0.03 0.00 0.00 56.01 54.78 2dgt n LEU 131 Cb 0.88 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.92 2dgt n LEU 131 CO 0.08 0.13 1.21 -0.62 -1.33 0.00 0.00 177.39 176.86 2dgt s ASP 132 N -1.76 6.64 -1.06 -1.43 2.15 0.63 -3.30 116.67 118.54 2dgt s ASP 132 Ca 0.36 1.49 -0.01 0.00 0.43 0.00 0.00 52.55 54.82 2dgt s ASP 132 Cb 0.18 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2dgt s ASP 132 CO 0.29 -1.06 0.89 0.59 -0.17 0.00 0.00 175.17 175.72 2dgt n ASN 133 N 7.62 -2.46 -4.27 -0.34 3.02 -1.00 -4.95 115.26 112.88 2dgt n ASN 133 Ca 0.16 -0.53 -0.33 0.00 -0.03 0.00 0.00 54.58 53.84 2dgt n ASN 133 Cb 0.46 -4.54 -0.15 0.00 -0.61 0.00 0.00 39.78 34.94 2dgt n ASN 133 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2dgt s THR 134 N -3.31 2.73 -0.66 3.41 -4.23 -1.21 -4.90 115.64 107.47 2dgt s THR 134 Ca 0.06 -0.74 -0.28 0.00 -1.18 0.00 0.00 61.69 59.55 2dgt s THR 134 Cb -0.03 -2.16 -0.12 0.00 1.34 0.00 0.00 72.50 71.53 2dgt s THR 134 CO 0.64 0.51 2.51 1.21 -0.54 0.00 0.00 174.62 178.94 2dgt n GLU 135 N 4.14 0.69 -4.44 3.99 2.13 -1.26 -3.16 120.64 122.73 2dgt n GLU 135 Ca -0.19 -0.02 -0.34 0.00 0.66 0.00 0.00 57.16 57.28 2dgt n GLU 135 Cb 0.52 -2.82 -0.12 0.00 0.27 0.00 0.00 31.44 29.28 2dgt n GLU 135 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2dgt s PHE 136 N 11.20 3.01 -1.64 4.31 5.36 0.24 -4.49 117.98 135.97 2dgt s PHE 136 Ca 1.10 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 56.75 2dgt s PHE 136 Cb -0.52 -1.94 0.00 0.00 -0.34 0.00 0.00 43.02 40.21 2dgt s PHE 136 CO 0.33 -0.04 0.00 1.04 -1.46 0.00 0.00 175.22 175.09 2dgt n GLN 137 N 3.51 -1.68 0.00 10.12 1.13 -1.26 -1.12 117.38 128.08 2dgt n GLN 137 Ca -0.17 0.92 0.00 0.00 -1.94 0.00 0.00 57.00 55.81 2dgt n GLN 137 Cb 0.52 -5.43 0.00 0.00 0.11 0.00 0.00 30.24 25.45 2dgt n GLN 137 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dgt n GLY 138 N -0.67 2.92 3.63 1.08 0.00 -1.26 -4.91 105.19 105.97 2dgt n GLY 138 Ca -0.19 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 2dgt n GLY 138 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dgt s LYS 139 N 0.00 2.63 0.13 1.61 -2.85 -0.27 -4.96 119.74 116.02 2dgt s LYS 139 Ca 0.00 -0.69 -0.30 0.00 -1.00 0.00 0.00 55.97 53.98 2dgt s LYS 139 Cb 0.00 -2.56 -0.06 0.00 -2.06 0.00 0.00 37.83 33.15 2dgt s LYS 139 CO 0.00 0.61 0.98 0.50 0.10 0.00 0.00 175.35 177.54 2dgt s ARG 140 N -1.49 4.69 0.08 1.78 3.52 -1.26 0.80 118.95 127.07 2dgt s ARG 140 Ca 0.18 1.49 0.08 0.00 -0.13 0.00 0.00 55.73 57.35 2dgt s ARG 140 Cb -0.11 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 2dgt s ARG 140 CO 0.09 0.21 -0.18 0.00 -0.81 0.00 0.00 175.30 174.61 2dgt s MET 141 N -0.11 1.95 -0.28 5.12 0.23 -1.19 -4.69 119.30 120.33 2dgt s MET 141 Ca 0.47 -1.07 -0.15 0.00 -1.03 0.00 0.00 55.69 53.91 2dgt s MET 141 Cb -0.24 -2.16 -0.03 0.00 -1.53 0.00 0.00 34.83 30.86 2dgt s MET 141 CO 0.31 0.51 0.37 -1.01 -2.03 0.00 0.00 175.02 173.17 2dgt s HIS 142 N -1.04 3.24 -0.16 3.16 0.09 -0.94 -2.38 115.29 117.26 2dgt s HIS 142 Ca 0.16 0.36 -0.04 0.00 -0.00 0.00 0.00 55.06 55.54 2dgt s HIS 142 Cb -0.11 -2.59 -0.03 0.00 -0.00 0.00 0.00 32.58 29.85 2dgt s HIS 142 CO 0.08 -0.26 -0.02 0.08 -0.00 0.00 0.00 174.74 174.62 2dgt s VAL 143 N 2.07 4.00 0.37 -0.90 1.01 -1.26 -1.18 120.40 124.52 2dgt s VAL 143 Ca 0.15 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 2dgt s VAL 143 Cb -0.16 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.48 2dgt s VAL 143 CO 0.10 0.49 0.62 0.00 0.00 0.00 0.00 175.10 176.31 2dgt s GLN 144 N 0.40 2.07 -0.07 2.72 -2.07 -0.36 -4.72 119.66 117.63 2dgt s GLN 144 Ca -0.03 -1.63 -0.30 0.00 -1.82 0.00 0.00 55.36 51.59 2dgt s GLN 144 Cb -0.14 0.53 -0.05 0.00 -1.09 0.00 0.00 33.01 32.26 2dgt s GLN 144 CO 0.03 -0.92 1.66 -0.51 -1.32 0.00 0.00 175.29 174.23 2dgt s LEU 145 N -3.17 4.27 0.11 2.60 2.01 -1.26 -0.20 118.68 123.04 2dgt s LEU 145 Ca 0.24 2.17 -0.32 0.00 0.01 0.00 0.00 54.13 56.23 2dgt s LEU 145 Cb -0.03 -3.53 -0.12 0.00 0.01 0.00 0.00 46.19 42.52 2dgt s LEU 145 CO 0.17 -0.97 1.59 -1.28 1.01 0.00 0.00 176.35 176.86 2dgt h SER 146 N 9.72 -1.25 -3.23 2.29 0.87 -1.65 -3.41 113.55 116.89 2dgt h SER 146 Ca -0.39 0.13 -0.62 0.00 -1.23 0.00 0.00 61.79 59.68 2dgt h SER 146 Cb 1.18 0.45 -0.15 0.00 -0.44 0.00 0.00 62.40 63.44 2dgt h SER 146 CO 0.96 -0.52 -0.56 0.28 -0.53 0.00 0.00 176.83 176.46 2dgt s THR 147 N -5.91 4.83 -0.13 2.23 -1.32 -1.26 -4.92 115.64 109.17 2dgt s THR 147 Ca -0.17 -0.02 -0.21 0.00 -1.21 0.00 0.00 61.69 60.08 2dgt s THR 147 Cb 0.07 -3.16 -0.03 0.00 -1.51 0.00 0.00 72.50 67.86 2dgt s THR 147 CO 0.63 0.49 0.63 -0.55 -2.21 0.00 0.00 174.62 173.60 2dgt s SER 148 N 0.14 6.81 -0.26 8.08 0.15 -1.26 -5.05 113.70 122.31 2dgt s SER 148 Ca 0.05 0.98 -0.04 0.00 0.70 0.00 0.00 55.95 57.63 2dgt s SER 148 Cb -0.12 -2.36 0.01 0.00 -1.71 0.00 0.00 66.02 61.83 2dgt s SER 148 CO 0.00 -0.15 0.00 -0.60 1.20 0.00 0.00 173.24 173.70 2dgt s ARG 149 N 1.19 3.14 -0.24 5.44 3.52 -1.26 -4.96 118.95 125.78 2dgt s ARG 149 Ca 0.32 -0.80 -0.06 0.00 -0.13 0.00 0.00 55.73 55.06 2dgt s ARG 149 Cb -0.16 -3.15 -0.12 0.00 -1.56 0.00 0.00 34.95 29.95 2dgt s ARG 149 CO 0.13 -0.34 -0.26 1.28 -0.81 0.00 0.00 175.30 175.30 2dgt n LEU 150 N 4.79 2.27 -4.61 -0.88 4.77 -1.26 -4.95 117.00 117.14 2dgt n LEU 150 Ca -0.16 0.11 -0.35 0.00 -0.03 0.00 0.00 56.01 55.58 2dgt n LEU 150 Cb 0.49 -0.75 -0.10 0.00 -2.33 0.00 0.00 43.42 40.73 2dgt n LEU 150 CO 0.29 0.67 -0.25 -0.60 -1.33 0.00 0.00 177.39 176.18 2dgt s ARG 151 N -2.45 3.94 0.27 3.23 6.06 -1.26 -5.10 118.95 123.65 2dgt s ARG 151 Ca -0.32 -0.36 -0.10 0.00 -2.50 0.00 0.00 55.73 52.45 2dgt s ARG 151 Cb 0.11 -3.26 -0.07 0.00 0.06 0.00 0.00 34.95 31.78 2dgt s ARG 151 CO 0.47 0.18 0.61 -0.08 -2.50 0.00 0.00 175.30 173.98 2dgt s THR 152 N 0.62 4.88 -0.02 4.11 -1.32 -1.26 -4.91 115.64 117.74 2dgt s THR 152 Ca 0.04 0.54 0.00 0.00 -1.21 0.00 0.00 61.69 61.06 2dgt s THR 152 Cb -0.13 -3.64 0.02 0.00 -1.51 0.00 0.00 72.50 67.24 2dgt s THR 152 CO 0.01 -0.17 0.00 0.00 -2.21 0.00 0.00 174.62 172.26 2dgt s ALA 153 N -1.94 0.23 -0.09 11.08 0.00 -1.26 -5.07 121.76 124.71 2dgt s ALA 153 Ca 0.49 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.57 2dgt s ALA 153 Cb -0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2dgt s ALA 153 CO 0.22 -0.05 0.07 1.03 0.00 0.00 0.00 175.76 177.03 2dgt h SER 154 N 6.99 -0.05 0.00 0.00 0.87 -2.05 -3.48 113.55 115.84 2dgt h SER 154 Ca -0.40 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2dgt h SER 154 Cb 1.15 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2dgt h SER 154 CO 0.49 0.43 0.00 0.61 -0.53 0.00 0.00 176.83 177.83 2dgt n GLY 155 N 1.62 1.04 3.67 5.77 0.00 -1.26 -5.14 105.19 110.89 2dgt n GLY 155 Ca -0.01 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 2dgt n GLY 155 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dgt s PRO 156 N 0.00 0.31 1.04 1.61 0.04 -1.26 -5.02 135.00 131.72 2dgt s PRO 156 Ca 0.00 0.49 -0.12 0.00 0.04 0.00 0.00 61.00 61.41 2dgt s PRO 156 Cb 0.00 -1.73 0.21 0.00 0.04 0.00 0.00 34.50 33.02 2dgt s PRO 156 CO 0.00 -2.80 1.07 0.45 0.04 0.00 0.00 177.00 175.76 2dgt s SER 157 N -3.45 2.12 0.00 6.66 0.15 -1.26 -5.00 113.70 112.92 2dgt s SER 157 Ca 0.66 1.59 0.00 0.00 0.70 0.00 0.00 55.95 58.89 2dgt s SER 157 Cb -0.19 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2dgt s SER 157 CO 0.58 -3.50 0.00 -1.20 1.20 0.00 0.00 173.24 170.31 2dgt n SER 158 N -4.46 0.82 0.00 5.45 7.64 -1.26 -5.30 113.62 116.50 2dgt n SER 158 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2dgt n SER 158 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2dgt n SER 158 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64