#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 4.84 -0.30 1.61 0.15 -1.26 -5.13 113.70 113.61 2dgt s SER 69 Ca 0.00 -0.58 -0.17 0.00 0.70 0.00 0.00 55.95 55.91 2dgt s SER 69 Cb 0.00 -0.95 0.18 0.00 -1.71 0.00 0.00 66.02 63.53 2dgt s SER 69 CO 0.00 -0.09 1.11 -0.94 1.20 0.00 0.00 173.24 174.52 2dgt s SER 70 N -3.77 -0.35 0.45 5.45 1.04 -1.26 -5.14 113.70 110.12 2dgt s SER 70 Ca 0.34 0.50 -0.22 0.00 0.48 0.00 0.00 55.95 57.05 2dgt s SER 70 Cb -0.06 1.36 -0.11 0.00 0.10 0.00 0.00 66.02 67.31 2dgt s SER 70 CO 0.22 -0.07 0.62 0.61 0.98 0.00 0.00 173.24 175.60 2dgt n GLY 71 N 4.55 -1.27 3.59 7.32 0.00 -1.26 -4.84 105.19 113.29 2dgt n GLY 71 Ca -0.10 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.96 6.25 -0.96 1.61 1.04 -1.26 -4.95 113.70 114.47 2dgt s SER 72 Ca 0.64 0.72 -0.19 0.00 0.48 0.00 0.00 55.95 57.60 2dgt s SER 72 Cb -0.56 -2.54 0.12 0.00 0.10 0.00 0.00 66.02 63.14 2dgt s SER 72 CO 0.57 -1.52 1.20 -0.55 0.98 0.00 0.00 173.24 173.92 2dgt s SER 73 N 4.22 6.63 1.20 7.02 0.15 -1.26 -4.88 113.70 126.78 2dgt s SER 73 Ca 0.60 -1.99 0.00 0.00 0.70 0.00 0.00 55.95 55.26 2dgt s SER 73 Cb -0.13 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2dgt s SER 73 CO 0.31 -1.13 0.00 0.61 1.20 0.00 0.00 173.24 174.23 2dgt n GLY 74 N 5.67 0.96 3.89 9.45 0.00 -1.26 -4.81 105.19 119.09 2dgt n GLY 74 Ca 0.26 0.40 -0.32 0.00 0.00 0.00 0.00 46.02 46.36 2dgt n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dgt n LYS 75 N 0.00 -1.01 0.46 1.61 5.02 -1.26 -4.79 118.16 118.19 2dgt n LYS 75 Ca 0.00 0.11 -0.20 0.00 -2.02 0.00 0.00 58.31 56.20 2dgt n LYS 75 Cb 0.00 -4.06 -0.10 0.00 -0.02 0.00 0.00 35.03 30.85 2dgt n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dgt h ALA 76 N 1.04 -1.25 -1.66 7.82 0.00 -1.90 -3.45 119.26 119.87 2dgt h ALA 76 Ca -0.45 -0.26 -0.46 0.00 0.00 0.00 0.00 54.91 53.74 2dgt h ALA 76 Cb 1.16 0.54 0.11 0.00 0.00 0.00 0.00 17.79 19.60 2dgt h ALA 76 CO 0.68 -1.21 0.23 -1.12 0.00 0.00 0.00 179.25 177.83 2dgt s SER 77 N -4.13 3.96 0.29 0.00 0.01 -1.25 -4.54 113.70 108.03 2dgt s SER 77 Ca -0.19 -0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.02 2dgt s SER 77 Cb 0.03 -0.21 -0.06 0.00 0.21 0.00 0.00 66.02 65.99 2dgt s SER 77 CO 0.60 -2.14 0.06 0.42 0.41 0.00 0.00 173.24 172.59 2dgt s THR 78 N -3.41 0.96 -0.09 1.44 -4.23 0.19 -4.91 115.64 105.59 2dgt s THR 78 Ca 0.68 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 59.14 2dgt s THR 78 Cb -0.05 -2.67 0.04 0.00 1.34 0.00 0.00 72.50 71.17 2dgt s THR 78 CO 0.47 -0.06 0.22 -0.75 -0.54 0.00 0.00 174.62 173.96 2dgt s LYS 79 N -3.93 0.17 -0.12 3.99 2.47 -1.26 -0.76 119.74 120.29 2dgt s LYS 79 Ca 0.36 0.49 0.03 0.00 -1.56 0.00 0.00 55.97 55.29 2dgt s LYS 79 Cb 0.08 -0.14 0.01 0.00 -1.46 0.00 0.00 37.83 36.32 2dgt s LYS 79 CO 0.14 -0.17 -0.21 -0.51 0.16 0.00 0.00 175.35 174.76 2dgt s LEU 80 N 1.30 2.01 -0.03 5.43 1.43 -0.73 -1.99 118.68 126.10 2dgt s LEU 80 Ca -0.09 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.34 2dgt s LEU 80 Cb -0.11 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 2dgt s LEU 80 CO -0.08 0.09 0.34 -2.28 0.23 0.00 0.00 176.35 174.66 2dgt s HIS 81 N 0.69 3.70 0.10 0.29 5.65 0.14 -0.27 115.29 125.58 2dgt s HIS 81 Ca -0.11 0.88 0.08 0.00 0.25 0.00 0.00 55.06 56.15 2dgt s HIS 81 Cb -0.16 -2.20 -0.03 0.00 -1.18 0.00 0.00 32.58 29.00 2dgt s HIS 81 CO 0.02 0.67 -0.20 0.08 -0.65 0.00 0.00 174.74 174.65 2dgt s VAL 82 N -1.07 1.66 0.22 0.89 1.01 0.82 -1.12 120.40 122.82 2dgt s VAL 82 Ca 0.22 -1.53 0.03 0.00 0.00 0.00 0.00 61.98 60.70 2dgt s VAL 82 Cb -0.15 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2dgt s VAL 82 CO 0.11 -0.08 0.01 -0.83 0.00 0.00 0.00 175.10 174.31 2dgt s GLY 83 N -1.91 1.52 -1.16 4.51 0.00 -0.43 -0.35 107.32 109.50 2dgt s GLY 83 Ca 0.06 -1.75 -0.03 0.00 0.00 0.00 0.00 44.72 43.00 2dgt s GLY 83 CO 0.04 -1.64 0.91 -2.01 0.00 0.00 0.00 173.10 170.40 2dgt n ASN 84 N -0.39 -3.69 -4.91 1.64 5.15 0.64 -2.29 115.26 111.40 2dgt n ASN 84 Ca -0.05 -0.71 -0.27 0.00 -0.60 0.00 0.00 54.58 52.95 2dgt n ASN 84 Cb 0.64 -4.87 0.01 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 -3.43 4.55 0.13 -1.44 -1.09 0.23 -4.14 121.20 116.02 2dgt s ILE 85 Ca 0.19 0.08 -0.15 0.00 -2.23 0.00 0.00 60.65 58.55 2dgt s ILE 85 Cb -0.03 -3.74 -0.07 0.00 -1.58 0.00 0.00 42.46 37.04 2dgt s ILE 85 CO 0.76 -0.71 0.54 -0.55 -1.23 0.00 0.00 174.94 173.74 2dgt s SER 86 N -4.16 6.84 0.00 3.58 0.15 -1.26 -4.71 113.70 114.15 2dgt s SER 86 Ca 0.49 1.08 0.15 0.00 0.70 0.00 0.00 55.95 58.37 2dgt s SER 86 Cb -0.10 -2.29 0.79 0.00 -1.71 0.00 0.00 66.02 62.70 2dgt s SER 86 CO 0.44 0.13 1.39 -0.81 1.20 0.00 0.00 173.24 175.59 2dgt n PRO 87 N 0.93 0.27 0.00 5.44 -0.04 -1.26 -1.96 135.00 138.38 2dgt n PRO 87 Ca -0.06 0.11 0.03 0.00 -0.04 0.00 0.00 63.50 63.54 2dgt n PRO 87 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2dgt n PRO 87 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2dgt n THR 88 N -1.22 0.00 -1.66 0.52 -2.24 -1.26 -5.04 114.28 103.39 2dgt n THR 88 Ca 0.08 -0.45 -0.41 0.00 -2.27 0.00 0.00 64.05 61.00 2dgt n THR 88 Cb 0.10 1.08 0.01 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.21 2.97 0.42 0.00 -4.23 -1.26 -5.01 115.64 107.32 2dgt s THR 90 Ca 0.61 -0.77 0.20 0.00 -1.18 0.00 0.00 61.69 60.55 2dgt s THR 90 Cb -0.55 -2.16 0.40 0.00 1.34 0.00 0.00 72.50 71.54 2dgt s THR 90 CO 0.58 0.58 1.80 0.78 -0.54 0.00 0.00 174.62 177.82 2dgt h ASN 91 N 5.33 0.40 0.62 3.99 4.21 -1.94 0.67 115.58 128.84 2dgt h ASN 91 Ca -0.46 0.06 -0.10 0.00 1.21 0.00 0.00 56.30 57.01 2dgt h ASN 91 Cb 1.15 -0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.33 2dgt h ASN 91 CO 0.50 0.10 -0.50 1.56 -1.29 0.00 0.00 177.43 177.80 2dgt h GLN 92 N 0.37 0.00 0.21 0.81 4.20 -1.97 -1.60 115.11 117.13 2dgt h GLN 92 Ca 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.25 2dgt h GLN 92 Cb 1.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.25 2dgt h GLN 92 CO -0.24 0.50 -0.10 0.93 -0.67 0.00 0.00 178.83 179.25 2dgt h GLU 93 N 0.00 -0.27 0.22 1.46 4.39 -0.10 -2.74 114.58 117.53 2dgt h GLU 93 Ca -0.00 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2dgt h GLU 93 Cb 0.94 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 2dgt h GLU 93 CO 0.06 -0.01 -0.17 1.25 -1.16 0.00 0.00 179.01 178.98 2dgt h LEU 94 N -1.02 -0.44 -0.30 1.33 5.85 -1.33 -2.01 115.31 117.39 2dgt h LEU 94 Ca -0.03 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.80 2dgt h LEU 94 Cb 0.38 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.48 2dgt h LEU 94 CO 0.05 -0.27 -0.30 -0.09 -0.34 0.00 0.00 178.44 177.49 2dgt h ARG 95 N -0.40 -0.27 -0.18 1.25 2.43 -1.44 -2.04 114.38 113.73 2dgt h ARG 95 Ca -0.01 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2dgt h ARG 95 Cb 0.36 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.90 2dgt h ARG 95 CO -0.01 -0.18 -0.30 0.00 -1.51 0.00 0.00 179.97 177.97 2dgt h ALA 96 N 0.72 -0.30 -1.01 2.80 0.00 -1.33 0.62 119.26 120.76 2dgt h ALA 96 Ca 0.15 0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.39 2dgt h ALA 96 Cb 0.52 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2dgt h ALA 96 CO -0.46 -0.76 0.74 0.87 0.00 0.00 0.00 179.25 179.64 2dgt h LYS 97 N -0.35 0.00 0.04 0.00 1.79 -0.70 0.28 116.57 117.64 2dgt h LYS 97 Ca 0.11 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.27 2dgt h LYS 97 Cb 0.52 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.13 2dgt h LYS 97 CO -0.37 0.00 -1.74 0.74 -1.08 0.00 0.00 179.45 176.99 2dgt h PHE 98 N 0.00 0.15 0.00 -1.35 0.04 -0.19 -3.32 116.94 112.26 2dgt h PHE 98 Ca 0.48 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 61.14 2dgt h PHE 98 Cb 1.96 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 40.10 2dgt h PHE 98 CO 0.00 1.22 0.00 0.39 -0.60 0.00 0.00 178.31 179.32 2dgt n GLU 99 N -3.19 0.14 0.26 1.51 1.02 0.19 -2.03 120.64 118.53 2dgt n GLU 99 Ca -0.20 0.45 0.17 0.00 -0.02 0.00 0.00 57.16 57.57 2dgt n GLU 99 Cb 1.05 -1.81 0.78 0.00 -0.02 0.00 0.00 31.44 31.43 2dgt n GLU 99 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2dgt h GLU 100 N 0.00 0.00 0.00 3.49 4.39 -1.39 -3.25 114.58 117.82 2dgt h GLU 100 Ca 0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 2dgt h GLU 100 Cb 0.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 2dgt h GLU 100 CO 0.00 0.00 -1.95 0.66 -1.16 0.00 0.00 179.01 176.56 2dgt n TYR 101 N -2.85 0.00 -4.11 4.33 4.02 -0.86 -5.08 117.16 112.60 2dgt n TYR 101 Ca -0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.77 2dgt n TYR 101 Cb 0.21 -0.79 -0.07 0.00 -0.02 0.00 0.00 39.34 38.66 2dgt n TYR 101 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2dgt s GLY 102 N -5.27 1.11 -0.92 2.72 0.00 -1.21 -4.91 107.32 98.83 2dgt s GLY 102 Ca -0.34 -1.36 -0.24 0.00 0.00 0.00 0.00 44.72 42.77 2dgt s GLY 102 CO 0.45 -1.05 1.95 2.56 0.00 0.00 0.00 173.10 177.00 2dgt s PRO 103 N -3.98 2.55 0.80 2.90 0.04 -1.26 -4.13 135.00 131.92 2dgt s PRO 103 Ca 0.32 -0.36 -0.14 0.00 0.04 0.00 0.00 61.00 60.85 2dgt s PRO 103 Cb 0.03 -5.08 0.03 0.00 0.04 0.00 0.00 34.50 29.52 2dgt s PRO 103 CO 0.12 -3.43 0.81 0.28 0.04 0.00 0.00 177.00 174.83 2dgt n VAL 104 N 7.87 1.64 -0.07 -0.36 0.31 -1.26 -4.13 118.33 122.33 2dgt n VAL 104 Ca 0.41 -0.28 -0.11 0.00 -0.01 0.00 0.00 64.34 64.35 2dgt n VAL 104 Cb 0.47 -0.93 -0.04 0.00 -0.91 0.00 0.00 33.84 32.43 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 -2.99 1.41 -3.67 2.52 5.41 0.11 -4.90 119.36 117.25 2dgt n ILE 105 Ca 0.11 0.09 -0.08 0.00 1.00 0.00 0.00 62.75 63.87 2dgt n ILE 105 Cb 0.51 -2.12 -0.09 0.00 -0.71 0.00 0.00 39.64 37.22 2dgt n ILE 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2dgt s GLU 106 N -2.67 0.45 -0.06 0.38 -1.05 -0.96 -5.01 118.70 109.78 2dgt s GLU 106 Ca -0.25 1.01 0.03 0.00 -0.15 0.00 0.00 54.97 55.62 2dgt s GLU 106 Cb 0.05 0.20 -0.02 0.00 -0.44 0.00 0.00 34.13 33.92 2dgt s GLU 106 CO 0.36 -0.19 -0.15 0.00 0.95 0.00 0.00 175.26 176.23 2dgt s ASP 108 N -0.56 1.25 0.17 0.00 1.11 -0.26 -5.00 116.67 113.39 2dgt s ASP 108 Ca 0.08 -0.15 -0.13 0.00 0.18 0.00 0.00 52.55 52.53 2dgt s ASP 108 Cb -0.11 -0.51 -0.07 0.00 1.07 0.00 0.00 42.92 43.30 2dgt s ASP 108 CO 0.01 -0.08 0.55 -0.63 1.18 0.00 0.00 175.17 176.20 2dgt s ILE 109 N 1.18 4.89 0.37 0.77 1.01 -1.26 -0.88 121.20 127.29 2dgt s ILE 109 Ca -0.07 0.70 0.04 0.00 0.00 0.00 0.00 60.65 61.32 2dgt s ILE 109 Cb -0.14 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 2dgt s ILE 109 CO -0.01 0.14 0.07 -0.69 0.00 0.00 0.00 174.94 174.44 2dgt s VAL 110 N -1.58 1.11 0.00 2.92 1.01 0.31 -4.93 120.40 119.24 2dgt s VAL 110 Ca 0.41 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.39 2dgt s VAL 110 Cb -0.14 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.60 2dgt s VAL 110 CO 0.20 0.00 0.62 0.29 0.00 0.00 0.00 175.10 176.21 2dgt n LYS 111 N -0.82 0.00 -0.03 2.72 5.02 -1.26 -3.37 118.16 120.42 2dgt n LYS 111 Ca -0.05 0.62 0.01 0.00 -2.02 0.00 0.00 58.31 56.88 2dgt n LYS 111 Cb 0.66 -1.04 0.03 0.00 -0.02 0.00 0.00 35.03 34.66 2dgt n LYS 111 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dgt n ASP 112 N -1.89 1.96 -3.04 4.39 9.92 -1.26 -4.67 116.55 121.95 2dgt n ASP 112 Ca 0.00 -1.77 -0.17 0.00 -0.53 0.00 0.00 54.79 52.32 2dgt n ASP 112 Cb 0.00 -0.04 -0.06 0.00 -0.64 0.00 0.00 41.12 40.38 2dgt n ASP 112 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dgt n TYR 113 N -0.15 -0.15 -3.81 1.24 4.11 -1.22 0.24 117.16 117.42 2dgt n TYR 113 Ca 0.02 -2.00 -0.05 0.00 -0.00 0.00 0.00 57.90 55.87 2dgt n TYR 113 Cb 0.23 0.08 -0.01 0.00 -0.00 0.00 0.00 39.34 39.64 2dgt n TYR 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2dgt s ALA 114 N -2.89 -1.42 -0.15 -3.48 0.00 0.53 0.11 121.76 114.46 2dgt s ALA 114 Ca 0.21 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 2dgt s ALA 114 Cb 0.01 0.72 0.07 0.00 0.00 0.00 0.00 23.12 23.92 2dgt s ALA 114 CO 0.15 -1.04 0.23 -0.06 0.00 0.00 0.00 175.76 175.03 2dgt s PHE 115 N -3.29 -0.33 -0.47 0.00 0.40 -0.06 -0.13 117.98 114.11 2dgt s PHE 115 Ca 0.13 0.63 -0.12 0.00 -0.60 0.00 0.00 56.93 56.97 2dgt s PHE 115 Cb -0.03 -0.20 0.09 0.00 0.51 0.00 0.00 43.02 43.39 2dgt s PHE 115 CO 0.05 -0.43 0.36 0.08 0.70 0.00 0.00 175.22 175.98 2dgt s VAL 116 N 2.36 4.68 -0.56 -0.44 1.01 0.63 -1.10 120.40 126.98 2dgt s VAL 116 Ca 0.04 -1.40 -0.27 0.00 0.00 0.00 0.00 61.98 60.34 2dgt s VAL 116 Cb -0.13 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 2dgt s VAL 116 CO -0.09 -0.64 1.62 -2.28 0.00 0.00 0.00 175.10 173.70 2dgt s HIS 117 N 1.50 1.99 0.77 5.22 2.46 0.16 -1.78 115.29 125.61 2dgt s HIS 117 Ca 0.04 0.57 -0.05 0.00 0.47 0.00 0.00 55.06 56.09 2dgt s HIS 117 Cb -0.25 -4.26 0.14 0.00 -0.13 0.00 0.00 32.58 28.07 2dgt s HIS 117 CO 0.03 -2.24 1.07 -1.64 -2.47 0.00 0.00 174.74 169.48 2dgt s MET 118 N 6.10 1.50 -0.07 2.88 -1.94 0.06 0.09 119.30 127.92 2dgt s MET 118 Ca 0.60 -0.84 -0.11 0.00 -1.71 0.00 0.00 55.69 53.63 2dgt s MET 118 Cb -0.13 -2.20 -0.04 0.00 2.01 0.00 0.00 34.83 34.47 2dgt s MET 118 CO 0.24 -1.64 -0.21 -1.91 -0.01 0.00 0.00 175.02 171.49 2dgt n GLU 119 N -3.06 0.31 -3.93 2.03 2.13 -1.26 -0.64 120.64 116.23 2dgt n GLU 119 Ca 0.14 0.12 -0.31 0.00 0.66 0.00 0.00 57.16 57.78 2dgt n GLU 119 Cb 0.60 -1.05 -0.04 0.00 0.27 0.00 0.00 31.44 31.22 2dgt n GLU 119 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2dgt s ARG 120 N -2.54 3.40 -0.01 5.31 0.52 -1.26 -3.64 118.95 120.73 2dgt s ARG 120 Ca -0.17 -0.46 -0.25 0.00 -0.52 0.00 0.00 55.73 54.33 2dgt s ARG 120 Cb 0.02 -3.02 -0.20 0.00 0.52 0.00 0.00 34.95 32.28 2dgt s ARG 120 CO 0.25 0.61 1.30 0.00 0.02 0.00 0.00 175.30 177.48 2dgt h ALA 121 N 3.10 0.01 -0.48 2.13 0.00 -1.92 -1.47 119.26 120.63 2dgt h ALA 121 Ca -0.45 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.36 2dgt h ALA 121 Cb 1.16 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2dgt h ALA 121 CO 0.75 -0.25 0.64 0.93 0.00 0.00 0.00 179.25 181.32 2dgt h GLU 122 N -0.44 0.00 0.10 0.00 5.08 -1.99 0.27 114.58 117.60 2dgt h GLU 122 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 2dgt h GLU 122 Cb 0.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2dgt h GLU 122 CO 0.00 0.00 -2.01 -0.25 -1.00 0.00 0.00 179.01 175.76 2dgt n ASP 123 N -3.43 2.08 0.01 1.42 8.00 -1.12 -3.69 116.55 119.82 2dgt n ASP 123 Ca 0.09 0.19 -0.12 0.00 0.71 0.00 0.00 54.79 55.66 2dgt n ASP 123 Cb 0.82 -0.82 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 2dgt n ASP 123 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dgt h ALA 124 N -0.01 0.04 -0.94 2.24 0.00 0.34 -0.26 119.26 120.66 2dgt h ALA 124 Ca -0.44 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.42 2dgt h ALA 124 Cb 1.95 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.66 2dgt h ALA 124 CO 0.03 -0.35 0.60 0.28 0.00 0.00 0.00 179.25 179.80 2dgt h VAL 125 N -0.17 1.06 0.00 0.00 2.07 -0.82 -2.46 116.25 115.94 2dgt h VAL 125 Ca 0.01 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2dgt h VAL 125 Cb 0.22 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2dgt h VAL 125 CO -0.00 0.20 -0.00 -0.33 0.02 0.00 0.00 177.57 177.46 2dgt h GLU 126 N 1.08 -0.00 -1.09 1.57 5.08 -1.60 -2.62 114.58 116.99 2dgt h GLU 126 Ca 0.41 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 59.07 2dgt h GLU 126 Cb 0.18 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 2dgt h GLU 126 CO -0.18 0.41 0.74 0.00 -1.00 0.00 0.00 179.01 178.99 2dgt h ALA 127 N 0.58 2.65 0.13 3.43 0.00 -0.71 -0.57 119.26 124.78 2dgt h ALA 127 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2dgt h ALA 127 Cb 0.42 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2dgt h ALA 127 CO 0.00 -1.02 -0.06 0.82 0.00 0.00 0.00 179.25 178.99 2dgt h ILE 128 N 0.20 0.00 0.00 0.00 2.04 -1.32 0.41 117.51 118.84 2dgt h ILE 128 Ca 0.57 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 66.09 2dgt h ILE 128 Cb 1.85 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2dgt h ILE 128 CO -0.16 0.00 0.60 -0.09 0.00 0.00 0.00 178.15 178.50 2dgt h ARG 129 N -0.52 0.00 0.01 2.37 2.43 -1.07 1.97 114.38 119.57 2dgt h ARG 129 Ca -0.02 0.00 -0.42 0.00 -0.81 0.00 0.00 59.98 58.74 2dgt h ARG 129 Cb 0.14 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 2dgt h ARG 129 CO 0.03 0.00 -2.43 0.41 -1.51 0.00 0.00 179.97 176.47 2dgt n GLY 130 N -1.33 -0.44 0.46 2.80 0.00 -0.26 -4.39 105.19 102.03 2dgt n GLY 130 Ca -0.01 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.78 1.40 -4.74 0.99 4.77 0.14 -4.83 117.00 110.96 2dgt n LEU 131 Ca -0.49 -0.54 -0.41 0.00 -0.03 0.00 0.00 56.01 54.54 2dgt n LEU 131 Cb 0.93 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.93 2dgt n LEU 131 CO 0.16 0.27 0.82 -0.62 -1.33 0.00 0.00 177.39 176.70 2dgt s ASP 132 N -1.73 7.20 -1.30 -1.43 2.15 0.65 -3.69 116.67 118.53 2dgt s ASP 132 Ca 0.35 2.12 -0.13 0.00 0.43 0.00 0.00 52.55 55.32 2dgt s ASP 132 Cb 0.18 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2dgt s ASP 132 CO 0.29 -0.28 0.55 -0.46 -0.17 0.00 0.00 175.17 175.09 2dgt n ASN 133 N 2.55 -2.48 -4.09 -0.34 6.94 -1.03 -4.93 115.26 111.88 2dgt n ASN 133 Ca 0.04 -1.08 -0.30 0.00 -0.02 0.00 0.00 54.58 53.22 2dgt n ASN 133 Cb 0.46 -2.80 -0.17 0.00 -2.36 0.00 0.00 39.78 34.91 2dgt n ASN 133 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2dgt s THR 134 N -3.77 1.66 -0.43 5.53 -4.23 -1.23 -4.93 115.64 108.25 2dgt s THR 134 Ca 0.24 -0.75 -0.32 0.00 -1.18 0.00 0.00 61.69 59.69 2dgt s THR 134 Cb -0.10 -1.50 -0.10 0.00 1.34 0.00 0.00 72.50 72.13 2dgt s THR 134 CO 0.90 0.47 2.30 1.21 -0.54 0.00 0.00 174.62 178.97 2dgt n GLU 135 N 4.12 1.10 -4.07 3.99 2.13 -1.26 -2.99 120.64 123.66 2dgt n GLU 135 Ca -0.19 0.23 -0.35 0.00 0.66 0.00 0.00 57.16 57.51 2dgt n GLU 135 Cb 0.51 -2.71 -0.12 0.00 0.27 0.00 0.00 31.44 29.39 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 8.77 3.05 -0.97 4.31 2.19 0.21 -4.51 117.98 131.02 2dgt s PHE 136 Ca 1.09 -0.44 0.00 0.00 0.33 0.00 0.00 56.93 57.91 2dgt s PHE 136 Cb -0.66 -2.08 0.00 0.00 -1.31 0.00 0.00 43.02 38.96 2dgt s PHE 136 CO 0.42 -0.22 0.00 1.04 1.83 0.00 0.00 175.22 178.28 2dgt n GLN 137 N 4.21 -1.88 0.00 10.12 6.02 -1.26 -0.74 117.38 133.86 2dgt n GLN 137 Ca -0.17 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 2dgt n GLN 137 Cb 0.52 -4.96 0.00 0.00 1.02 0.00 0.00 30.24 26.81 2dgt n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dgt n GLY 138 N -0.52 3.22 3.81 1.08 0.00 -1.26 -5.01 105.19 106.52 2dgt n GLY 138 Ca -0.11 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 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 3.63 0.05 1.61 -2.85 0.08 -4.91 119.74 117.36 2dgt s LYS 139 Ca 0.00 -0.18 -0.30 0.00 -1.00 0.00 0.00 55.97 54.49 2dgt s LYS 139 Cb 0.00 -3.22 -0.04 0.00 -2.06 0.00 0.00 37.83 32.50 2dgt s LYS 139 CO 0.00 0.62 0.95 0.50 0.10 0.00 0.00 175.35 177.53 2dgt s ARG 140 N -0.58 4.61 0.05 1.78 3.52 -1.26 0.65 118.95 127.71 2dgt s ARG 140 Ca 0.12 1.40 0.05 0.00 -0.13 0.00 0.00 55.73 57.17 2dgt s ARG 140 Cb -0.12 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 2dgt s ARG 140 CO 0.02 0.09 -0.07 0.00 -0.81 0.00 0.00 175.30 174.53 2dgt s MET 141 N 0.50 2.43 -0.24 5.12 0.23 -1.16 -4.74 119.30 121.44 2dgt s MET 141 Ca 0.49 -0.83 -0.16 0.00 -1.03 0.00 0.00 55.69 54.16 2dgt s MET 141 Cb -0.22 -2.45 -0.04 0.00 -1.53 0.00 0.00 34.83 30.59 2dgt s MET 141 CO 0.28 0.57 0.40 -1.01 -2.03 0.00 0.00 175.02 173.23 2dgt s HIS 142 N -1.11 3.31 -0.14 3.16 3.76 -0.97 -2.46 115.29 120.85 2dgt s HIS 142 Ca 0.20 0.54 -0.04 0.00 -0.15 0.00 0.00 55.06 55.61 2dgt s HIS 142 Cb -0.11 -2.57 -0.03 0.00 1.11 0.00 0.00 32.58 30.98 2dgt s HIS 142 CO 0.11 -0.13 -0.01 0.08 -0.85 0.00 0.00 174.74 173.94 2dgt s VAL 143 N 1.73 4.19 0.29 -0.90 1.01 -1.26 -1.32 120.40 124.14 2dgt s VAL 143 Ca 0.18 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.69 2dgt s VAL 143 Cb -0.15 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.43 2dgt s VAL 143 CO 0.09 0.52 0.71 0.00 0.00 0.00 0.00 175.10 176.42 2dgt s GLN 144 N -0.03 1.82 0.45 2.72 -2.07 -0.27 -4.76 119.66 117.52 2dgt s GLN 144 Ca 0.03 -1.05 -0.24 0.00 -1.82 0.00 0.00 55.36 52.28 2dgt s GLN 144 Cb -0.13 0.60 -0.09 0.00 -1.09 0.00 0.00 33.01 32.31 2dgt s GLN 144 CO 0.02 -0.83 1.13 1.28 -1.32 0.00 0.00 175.29 175.57 2dgt n LEU 145 N -0.46 3.51 -0.05 2.60 7.99 -1.26 0.27 117.00 129.59 2dgt n LEU 145 Ca -0.04 1.03 -0.03 0.00 -0.01 0.00 0.00 56.01 56.96 2dgt n LEU 145 Cb 0.59 -1.43 -0.01 0.00 -0.11 0.00 0.00 43.42 42.46 2dgt n LEU 145 CO 0.16 -1.15 -0.20 0.28 -1.51 0.00 0.00 177.39 174.98 2dgt h SER 146 N 1.60 0.00 -0.80 -1.43 0.02 -1.72 -3.39 113.55 107.82 2dgt h SER 146 Ca -0.47 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.13 2dgt h SER 146 Cb 1.32 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.80 2dgt h SER 146 CO 0.57 0.56 0.89 0.28 -1.14 0.00 0.00 176.83 177.99 2dgt s THR 147 N -1.85 3.54 -0.57 -2.27 -1.32 -1.26 -4.79 115.64 107.12 2dgt s THR 147 Ca -0.09 -0.45 -0.01 0.00 -1.21 0.00 0.00 61.69 59.94 2dgt s THR 147 Cb 0.01 -4.22 0.45 0.00 -1.51 0.00 0.00 72.50 67.23 2dgt s THR 147 CO 0.13 -1.15 2.00 -1.20 -2.21 0.00 0.00 174.62 172.19 2dgt n SER 148 N 12.94 6.79 -4.78 8.08 7.64 -1.26 -4.95 113.62 138.08 2dgt n SER 148 Ca 0.39 -3.63 -0.36 0.00 1.01 0.00 0.00 58.87 56.27 2dgt n SER 148 Cb 0.48 -0.96 -0.07 0.00 -1.01 0.00 0.00 64.21 62.65 2dgt n SER 148 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2dgt s ARG 149 N -3.41 3.96 -0.42 1.43 3.52 -1.26 -5.06 118.95 117.71 2dgt s ARG 149 Ca 0.58 -0.05 0.04 0.00 -0.13 0.00 0.00 55.73 56.17 2dgt s ARG 149 Cb 0.46 -3.34 0.11 0.00 -1.56 0.00 0.00 34.95 30.63 2dgt s ARG 149 CO 0.01 0.46 0.15 -0.51 -0.81 0.00 0.00 175.30 174.60 2dgt s LEU 150 N -0.15 4.42 0.14 -0.88 2.01 -1.26 -5.10 118.68 117.86 2dgt s LEU 150 Ca 0.14 -2.52 -0.27 0.00 0.01 0.00 0.00 54.13 51.49 2dgt s LEU 150 Cb -0.12 -1.59 -0.07 0.00 0.01 0.00 0.00 46.19 44.42 2dgt s LEU 150 CO 0.03 -0.31 0.85 -0.13 1.01 0.00 0.00 176.35 177.79 2dgt s ARG 151 N 0.40 4.65 0.07 1.70 1.81 -1.26 -4.98 118.95 121.34 2dgt s ARG 151 Ca 0.14 1.28 -0.21 0.00 -1.72 0.00 0.00 55.73 55.22 2dgt s ARG 151 Cb -0.22 -3.31 -0.11 0.00 -0.45 0.00 0.00 34.95 30.86 2dgt s ARG 151 CO -0.05 0.42 1.54 1.15 -0.68 0.00 0.00 175.30 177.68 2dgt h THR 152 N 3.61 1.22 0.00 0.02 2.02 -2.08 -3.43 112.91 114.28 2dgt h THR 152 Ca -0.45 -0.70 -0.44 0.00 0.77 0.00 0.00 66.41 65.59 2dgt h THR 152 Cb 1.21 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 68.92 2dgt h THR 152 CO 0.69 0.21 1.19 0.00 0.37 0.00 0.00 175.52 177.98 2dgt n ALA 153 N -2.28 0.20 0.05 6.16 0.00 -1.26 -4.81 120.51 118.57 2dgt n ALA 153 Ca -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 2dgt n ALA 153 Cb 0.18 -1.64 -0.01 0.00 0.00 0.00 0.00 19.45 17.98 2dgt n ALA 153 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2dgt h SER 154 N 8.14 -0.13 -3.22 0.00 0.02 -2.00 -3.42 113.55 112.94 2dgt h SER 154 Ca -0.05 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.29 2dgt h SER 154 Cb 1.00 0.03 -0.41 0.00 0.14 0.00 0.00 62.40 63.17 2dgt h SER 154 CO 0.96 0.05 -0.70 -0.83 -1.14 0.00 0.00 176.83 175.16 2dgt s GLY 155 N -2.29 2.19 0.10 -3.77 0.00 -1.26 -4.95 107.32 97.35 2dgt s GLY 155 Ca -0.02 -3.16 -0.14 0.00 0.00 0.00 0.00 44.72 41.39 2dgt s GLY 155 CO 0.07 1.40 1.43 -0.56 0.00 0.00 0.00 173.10 175.44 2dgt h PRO 156 N 5.94 0.73 -0.06 2.90 0.13 -1.90 -3.29 132.00 136.45 2dgt h PRO 156 Ca 0.10 -0.38 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 2dgt h PRO 156 Cb 0.85 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 2dgt h PRO 156 CO 0.58 1.00 -0.00 0.66 -0.23 0.00 0.00 178.00 180.01 2dgt h SER 157 N 0.48 0.11 -3.76 1.44 4.64 -1.99 -3.45 113.55 111.02 2dgt h SER 157 Ca 0.05 -0.32 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 2dgt h SER 157 Cb 0.86 -0.03 -0.24 0.00 -0.31 0.00 0.00 62.40 62.68 2dgt h SER 157 CO 0.07 0.41 -0.20 -0.55 -0.87 0.00 0.00 176.83 175.70 2dgt s SER 158 N -5.64 -0.49 0.00 4.97 0.15 -1.24 -5.29 113.70 106.16 2dgt s SER 158 Ca -0.15 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.43 2dgt s SER 158 Cb 0.04 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 2dgt s SER 158 CO 0.69 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.57