#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6x n GLU 71 N 0.00 2.65 -1.97 3.17 0.28 -1.26 -5.03 120.64 118.49 1a6x n GLU 71 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 1a6x n GLU 71 Cb 0.00 -1.16 0.02 0.00 1.43 0.00 0.00 31.44 31.73 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1a6x s ALA 72 N -2.15 2.75 -0.71 -1.84 0.00 -1.26 -4.89 121.76 113.66 1a6x s ALA 72 Ca -0.04 0.31 -0.06 0.00 0.00 0.00 0.00 51.96 52.17 1a6x s ALA 72 Cb 0.02 -3.21 -0.12 0.00 0.00 0.00 0.00 23.12 19.80 1a6x s ALA 72 CO 0.24 -0.86 2.63 -0.35 0.00 0.00 0.00 175.76 177.42 1a6x n PRO 73 N -2.24 2.24 -1.54 0.00 -0.04 -1.26 -4.85 135.00 127.32 1a6x n PRO 73 Ca 0.08 -1.35 0.09 0.00 -0.04 0.00 0.00 63.50 62.29 1a6x n PRO 73 Cb 0.53 -2.30 -0.05 0.00 -0.04 0.00 0.00 33.50 31.64 1a6x n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a6x n ALA 74 N 3.39 -2.95 -2.70 0.55 0.00 -1.26 -4.75 120.51 112.79 1a6x n ALA 74 Ca 0.48 0.73 -0.42 0.00 0.00 0.00 0.00 53.44 54.23 1a6x n ALA 74 Cb 0.39 -1.55 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 1a6x n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x s ALA 75 N -4.90 3.19 0.24 0.00 0.00 -1.26 -5.04 121.76 113.98 1a6x s ALA 75 Ca 0.00 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.57 1a6x s ALA 75 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1a6x s ALA 75 CO 0.00 -0.26 0.24 0.00 0.00 0.00 0.00 175.76 175.73 1a6x s ALA 76 N 1.07 3.69 0.32 0.00 0.00 -1.26 -4.76 121.76 120.82 1a6x s ALA 76 Ca 0.52 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1a6x s ALA 76 Cb -0.21 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1a6x s ALA 76 CO 0.27 0.28 0.00 -1.91 0.00 0.00 0.00 175.76 174.41 1a6x n GLU 77 N -1.14 -2.24 -2.60 0.00 2.13 -1.26 -4.63 120.64 110.89 1a6x n GLU 77 Ca -0.08 1.74 -0.04 0.00 0.66 0.00 0.00 57.16 59.44 1a6x n GLU 77 Cb 0.57 -2.16 -0.01 0.00 0.27 0.00 0.00 31.44 30.12 1a6x n GLU 77 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1a6x n ILE 78 N -2.02 0.00 -3.56 6.31 -6.64 -1.26 -4.81 119.36 107.38 1a6x n ILE 78 Ca 0.00 0.00 -0.41 0.00 -1.77 0.00 0.00 62.75 60.57 1a6x n ILE 78 Cb 0.24 -0.04 -0.08 0.00 -1.44 0.00 0.00 39.64 38.32 1a6x n ILE 78 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 1a6x s SER 79 N -2.03 5.74 0.00 7.28 0.01 -1.26 -4.89 113.70 118.55 1a6x s SER 79 Ca 0.07 -2.19 0.00 0.00 1.31 0.00 0.00 55.95 55.14 1a6x s SER 79 Cb -0.04 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1a6x s SER 79 CO 0.09 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1a6x n GLY 80 N 4.52 2.22 2.93 3.44 0.00 -1.20 -5.04 105.19 112.05 1a6x n GLY 80 Ca -0.02 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 1a6x n GLY 80 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1a6x s HIS 81 N 0.00 3.11 -0.29 1.61 5.04 0.13 -4.94 115.29 119.95 1a6x s HIS 81 Ca 0.00 -2.65 -0.24 0.00 -1.54 0.00 0.00 55.06 50.63 1a6x s HIS 81 Cb 0.00 -2.55 0.00 0.00 0.04 0.00 0.00 32.58 30.07 1a6x s HIS 81 CO 0.00 -0.91 0.83 0.42 -2.34 0.00 0.00 174.74 172.74 1a6x s ILE 82 N 1.01 4.78 -0.02 0.89 1.09 -1.26 -0.99 121.20 126.70 1a6x s ILE 82 Ca 0.11 1.37 -0.30 0.00 -1.10 0.00 0.00 60.65 60.73 1a6x s ILE 82 Cb -0.19 -4.16 -0.06 0.00 -1.06 0.00 0.00 42.46 36.99 1a6x s ILE 82 CO -0.12 -0.21 1.58 -0.69 -0.10 0.00 0.00 174.94 175.40 1a6x s VAL 83 N 2.98 3.53 -0.21 2.92 1.01 0.35 -4.86 120.40 126.12 1a6x s VAL 83 Ca 0.34 0.79 -0.01 0.00 0.00 0.00 0.00 61.98 63.10 1a6x s VAL 83 Cb -0.14 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1a6x s VAL 83 CO 0.11 -0.04 -0.11 -0.13 0.00 0.00 0.00 175.10 174.92 1a6x s ARG 84 N 3.35 3.07 -0.48 2.72 0.52 -1.26 0.18 118.95 127.05 1a6x s ARG 84 Ca 0.70 -0.81 -0.33 0.00 -0.52 0.00 0.00 55.73 54.78 1a6x s ARG 84 Cb -0.34 -2.82 -0.12 0.00 0.52 0.00 0.00 34.95 32.19 1a6x s ARG 84 CO 0.29 -0.26 2.31 -1.13 0.02 0.00 0.00 175.30 176.53 1a6x n SER 85 N 4.69 1.83 0.00 0.23 3.41 0.15 -4.74 113.62 119.18 1a6x n SER 85 Ca -0.19 0.21 0.11 0.00 -0.26 0.00 0.00 58.87 58.74 1a6x n SER 85 Cb 0.49 -1.26 0.67 0.00 -0.26 0.00 0.00 64.21 63.86 1a6x n SER 85 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1a6x n PRO 86 N 8.38 0.75 -3.60 4.33 -0.04 -1.26 -3.39 135.00 140.16 1a6x n PRO 86 Ca 0.45 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.90 1a6x n PRO 86 Cb 0.25 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.20 1a6x n PRO 86 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1a6x s MET 87 N -2.00 0.52 0.59 0.54 -1.94 -1.26 -4.93 119.30 110.82 1a6x s MET 87 Ca 0.34 1.31 -0.18 0.00 -1.71 0.00 0.00 55.69 55.45 1a6x s MET 87 Cb 0.15 0.78 -0.10 0.00 2.01 0.00 0.00 34.83 37.67 1a6x s MET 87 CO 0.26 -0.18 0.25 0.28 -0.01 0.00 0.00 175.02 175.62 1a6x n VAL 88 N 5.34 1.33 0.00 -6.03 0.31 -1.26 -4.68 118.33 113.33 1a6x n VAL 88 Ca -0.12 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1a6x n VAL 88 Cb 0.50 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 1a6x n VAL 88 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a6x n GLY 89 N 2.08 -0.54 2.82 2.92 0.00 -0.39 -4.74 105.19 107.35 1a6x n GLY 89 Ca 0.10 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1a6x n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6x s THR 90 N 0.00 -0.22 0.10 2.61 2.01 0.12 0.23 115.64 120.49 1a6x s THR 90 Ca 0.00 0.35 -0.23 0.00 0.31 0.00 0.00 61.69 62.12 1a6x s THR 90 Cb 0.00 -0.27 -0.07 0.00 0.01 0.00 0.00 72.50 72.17 1a6x s THR 90 CO 0.00 0.15 0.70 0.12 -0.69 0.00 0.00 174.62 174.90 1a6x s PHE 91 N 2.17 3.82 0.05 4.92 2.19 -0.14 0.02 117.98 131.01 1a6x s PHE 91 Ca 0.02 1.47 0.03 0.00 0.33 0.00 0.00 56.93 58.78 1a6x s PHE 91 Cb -0.12 -2.69 -0.02 0.00 -1.31 0.00 0.00 43.02 38.87 1a6x s PHE 91 CO -0.05 0.47 -0.09 0.71 1.83 0.00 0.00 175.22 178.08 1a6x s TYR 92 N -0.81 0.80 -0.64 10.12 2.02 -0.27 -0.09 117.35 128.48 1a6x s TYR 92 Ca 0.34 -0.46 0.23 0.00 -0.37 0.00 0.00 57.07 56.80 1a6x s TYR 92 Cb -0.21 -0.47 -0.03 0.00 -0.40 0.00 0.00 41.96 40.85 1a6x s TYR 92 CO 0.23 -0.04 0.96 0.54 -1.57 0.00 0.00 175.55 175.66 1a6x n ARG 93 N 1.52 0.26 -4.13 -0.62 5.12 -1.26 -0.73 116.66 116.81 1a6x n ARG 93 Ca -0.22 -0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 55.56 1a6x n ARG 93 Cb 0.55 -1.56 -0.11 0.00 -1.16 0.00 0.00 32.46 30.18 1a6x n ARG 93 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1a6x s THR 94 N -3.18 0.68 -0.05 0.55 -4.23 -1.26 -1.45 115.64 106.69 1a6x s THR 94 Ca 0.04 -1.57 0.23 0.00 -1.18 0.00 0.00 61.69 59.21 1a6x s THR 94 Cb 0.15 -1.23 0.24 0.00 1.34 0.00 0.00 72.50 73.00 1a6x s THR 94 CO 0.82 -0.64 1.72 1.55 -0.54 0.00 0.00 174.62 177.54 1a6x h PRO 95 N 3.64 0.00 -4.29 3.99 0.13 -1.88 -3.47 132.00 130.12 1a6x h PRO 95 Ca -0.36 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.51 1a6x h PRO 95 Cb 1.18 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1a6x h PRO 95 CO 0.54 0.21 -0.34 -1.12 -0.23 0.00 0.00 178.00 177.06 1a6x s SER 96 N -6.18 0.67 0.18 1.44 0.01 -1.26 -5.05 113.70 103.51 1a6x s SER 96 Ca 0.03 -1.40 0.03 0.00 1.31 0.00 0.00 55.95 55.91 1a6x s SER 96 Cb 0.08 0.56 0.06 0.00 0.21 0.00 0.00 66.02 66.93 1a6x s SER 96 CO 0.65 -1.11 1.43 1.55 0.41 0.00 0.00 173.24 176.17 1a6x h PRO 97 N 2.27 0.20 -1.73 12.44 0.13 -1.98 -3.27 132.00 140.05 1a6x h PRO 97 Ca -0.29 -0.19 -0.63 0.00 -0.87 0.00 0.00 66.00 64.01 1a6x h PRO 97 Cb 1.24 0.05 -0.39 0.00 0.13 0.00 0.00 31.00 32.04 1a6x h PRO 97 CO 0.41 0.90 -0.33 -0.40 -0.23 0.00 0.00 178.00 178.35 1a6x n ASP 98 N -3.71 5.29 -4.07 1.44 5.75 -1.26 -5.00 116.55 114.99 1a6x n ASP 98 Ca -0.03 -3.74 -0.15 0.00 -0.01 0.00 0.00 54.79 50.86 1a6x n ASP 98 Cb 0.76 -0.61 -0.12 0.00 -1.03 0.00 0.00 41.12 40.12 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a6x s ALA 99 N -3.66 0.71 1.08 2.12 0.00 -1.24 -5.14 121.76 115.64 1a6x s ALA 99 Ca 0.49 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.51 1a6x s ALA 99 Cb 0.38 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.55 1a6x s ALA 99 CO -0.22 0.05 -0.23 1.63 0.00 0.00 0.00 175.76 176.99 1a6x n LYS 100 N 1.67 -1.46 -3.87 0.00 4.01 -1.26 -4.79 118.16 112.46 1a6x n LYS 100 Ca -0.21 -0.42 -0.36 0.00 -0.51 0.00 0.00 58.31 56.81 1a6x n LYS 100 Cb 0.55 -1.53 -0.07 0.00 -0.51 0.00 0.00 35.03 33.47 1a6x n LYS 100 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1a6x s ALA 101 N -2.16 3.82 0.26 7.82 0.00 -1.26 -4.50 121.76 125.74 1a6x s ALA 101 Ca 0.49 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 1a6x s ALA 101 Cb -0.07 -1.99 0.31 0.00 0.00 0.00 0.00 23.12 21.37 1a6x s ALA 101 CO 0.60 0.52 1.88 0.74 0.00 0.00 0.00 175.76 179.50 1a6x h PHE 102 N 5.35 1.11 -3.55 0.00 0.04 -1.61 -3.42 116.94 114.86 1a6x h PHE 102 Ca -0.52 -0.03 -0.27 0.00 2.80 0.00 0.00 57.97 59.95 1a6x h PHE 102 Cb 1.21 -0.35 -0.32 0.00 2.20 0.00 0.00 35.95 38.69 1a6x h PHE 102 CO 0.72 0.78 -0.71 0.42 -0.60 0.00 0.00 178.31 178.92 1a6x s ILE 103 N -5.72 -0.04 -0.06 -0.55 1.01 -1.26 -4.91 121.20 109.67 1a6x s ILE 103 Ca -0.12 0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.72 1a6x s ILE 103 Cb 0.17 -0.08 -0.00 0.00 0.01 0.00 0.00 42.46 42.55 1a6x s ILE 103 CO 0.81 0.06 -0.21 -1.61 0.00 0.00 0.00 174.94 174.00 1a6x s GLU 104 N 0.74 2.26 -0.50 2.79 0.41 -1.26 -5.06 118.70 118.09 1a6x s GLU 104 Ca -0.06 -0.74 -0.46 0.00 -0.41 0.00 0.00 54.97 53.30 1a6x s GLU 104 Cb -0.09 -1.87 -0.20 0.00 -1.78 0.00 0.00 34.13 30.19 1a6x s GLU 104 CO -0.02 0.25 1.80 0.28 -0.49 0.00 0.00 175.26 177.08 1a6x n VAL 105 N 3.22 0.00 -0.05 2.63 0.31 -1.26 -2.47 118.33 120.71 1a6x n VAL 105 Ca -0.19 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1a6x n VAL 105 Cb 0.52 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 1a6x n VAL 105 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a6x n GLY 106 N 5.27 0.56 3.25 2.92 0.00 -1.26 -5.12 105.19 110.81 1a6x n GLY 106 Ca 0.40 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 1a6x n GLY 106 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a6x s GLN 107 N 0.75 0.81 0.38 1.61 0.74 -1.03 -5.05 119.66 117.87 1a6x s GLN 107 Ca 0.00 -0.54 0.08 0.00 0.05 0.00 0.00 55.36 54.95 1a6x s GLN 107 Cb 0.00 0.35 -0.03 0.00 1.10 0.00 0.00 33.01 34.43 1a6x s GLN 107 CO 0.00 -0.26 0.33 0.21 -0.55 0.00 0.00 175.29 175.02 1a6x s LYS 108 N -2.63 2.58 -0.05 1.67 2.20 -1.26 -2.65 119.74 119.59 1a6x s LYS 108 Ca -0.04 -1.46 -0.10 0.00 -0.36 0.00 0.00 55.97 54.00 1a6x s LYS 108 Cb -0.01 -2.39 0.02 0.00 -1.51 0.00 0.00 37.83 33.95 1a6x s LYS 108 CO -0.04 -0.07 0.24 0.14 -0.36 0.00 0.00 175.35 175.26 1a6x s VAL 109 N -2.42 0.03 0.01 4.02 -7.23 0.62 -4.98 120.40 110.46 1a6x s VAL 109 Ca 0.45 -0.27 0.07 0.00 -1.81 0.00 0.00 61.98 60.42 1a6x s VAL 109 Cb -0.04 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 1a6x s VAL 109 CO 0.27 -0.15 -0.22 0.20 -0.31 0.00 0.00 175.10 174.89 1a6x s ASN 110 N -0.57 3.46 -0.56 4.85 -0.87 -1.26 -0.92 114.94 119.07 1a6x s ASN 110 Ca -0.07 -0.44 -0.42 0.00 -1.57 0.00 0.00 52.86 50.36 1a6x s ASN 110 Cb -0.04 -0.49 -0.19 0.00 -0.02 0.00 0.00 41.25 40.51 1a6x s ASN 110 CO 0.02 0.29 2.21 0.52 -2.57 0.00 0.00 177.10 177.57 1a6x n VAL 111 N 1.99 0.00 0.00 1.60 0.31 -1.26 0.44 118.33 121.41 1a6x n VAL 111 Ca -0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1a6x n VAL 111 Cb 0.52 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 1a6x n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a6x n GLY 112 N 7.35 1.26 3.76 2.92 0.00 -1.14 -5.00 105.19 114.34 1a6x n GLY 112 Ca 0.56 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.21 1a6x n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a6x s ASP 113 N -1.48 6.65 0.37 1.61 1.11 0.17 -4.81 116.67 120.30 1a6x s ASP 113 Ca 0.00 0.78 -0.26 0.00 0.18 0.00 0.00 52.55 53.24 1a6x s ASP 113 Cb 0.00 -2.25 -0.12 0.00 1.07 0.00 0.00 42.92 41.63 1a6x s ASP 113 CO 0.00 0.13 1.15 0.41 1.18 0.00 0.00 175.17 178.04 1a6x n THR 114 N 3.05 2.24 -0.04 -1.27 -1.04 -1.26 -0.12 114.28 115.85 1a6x n THR 114 Ca -0.11 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.36 1a6x n THR 114 Cb 0.52 -1.34 -0.05 0.00 -1.82 0.00 0.00 70.33 67.64 1a6x n THR 114 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a6x n LEU 115 N 0.66 0.79 0.00 -4.42 -0.00 0.18 -4.68 117.00 109.54 1a6x n LEU 115 Ca 0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 1a6x n LEU 115 Cb 0.37 0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1a6x n LEU 115 CO 0.60 0.30 0.00 0.00 -0.00 0.00 0.00 177.39 178.29 1a6x s ILE 117 N -2.06 0.64 -0.09 0.00 -1.09 0.09 -1.35 121.20 117.33 1a6x s ILE 117 Ca 0.00 -1.94 -0.03 0.00 -2.23 0.00 0.00 60.65 56.45 1a6x s ILE 117 Cb 0.00 -1.80 0.05 0.00 -1.58 0.00 0.00 42.46 39.13 1a6x s ILE 117 CO 0.00 -0.76 0.17 -0.69 -1.23 0.00 0.00 174.94 172.42 1a6x s VAL 118 N -3.67 -0.27 -0.11 2.92 1.01 0.13 -1.11 120.40 119.31 1a6x s VAL 118 Ca 0.15 0.32 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 1a6x s VAL 118 Cb 0.06 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1a6x s VAL 118 CO -0.03 0.12 0.11 -0.70 0.00 0.00 0.00 175.10 174.60 1a6x s GLU 119 N 2.30 3.32 -0.21 2.72 2.12 0.10 0.25 118.70 129.30 1a6x s GLU 119 Ca 0.03 -0.21 -0.27 0.00 0.36 0.00 0.00 54.97 54.88 1a6x s GLU 119 Cb -0.12 -3.09 0.10 0.00 0.26 0.00 0.00 34.13 31.28 1a6x s GLU 119 CO -0.06 0.76 0.88 0.00 -0.54 0.00 0.00 175.26 176.29 1a6x s ALA 120 N -1.01 -1.87 -1.51 6.30 0.00 -0.27 0.12 121.76 123.51 1a6x s ALA 120 Ca 0.15 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.87 1a6x s ALA 120 Cb -0.12 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1a6x s ALA 120 CO 0.04 -0.30 0.00 -1.33 0.00 0.00 0.00 175.76 174.17 1a6x n MET 121 N 1.80 -1.63 -2.76 0.00 2.81 -1.26 0.15 117.12 116.23 1a6x n MET 121 Ca -0.14 0.84 -0.10 0.00 -1.81 0.00 0.00 57.70 56.50 1a6x n MET 121 Cb 0.56 -5.27 0.02 0.00 -0.71 0.00 0.00 33.22 27.82 1a6x n MET 121 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1a6x n LYS 122 N -2.39 -2.72 -4.06 0.03 0.00 -1.26 -5.03 118.16 102.73 1a6x n LYS 122 Ca -0.17 0.38 -0.13 0.00 0.00 0.00 0.00 58.31 58.39 1a6x n LYS 122 Cb 0.56 -4.09 -0.13 0.00 0.00 0.00 0.00 35.03 31.38 1a6x n LYS 122 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1a6x s MET 123 N -5.27 0.40 -0.04 1.64 1.75 0.12 -5.14 119.30 112.76 1a6x s MET 123 Ca 0.19 -0.45 -0.19 0.00 -1.25 0.00 0.00 55.69 53.99 1a6x s MET 123 Cb -0.08 -0.25 -0.05 0.00 2.84 0.00 0.00 34.83 37.29 1a6x s MET 123 CO 0.23 0.05 0.54 -1.64 -0.65 0.00 0.00 175.02 173.56 1a6x s MET 124 N -0.86 4.29 -0.31 4.11 -1.94 -1.26 -1.12 119.30 122.20 1a6x s MET 124 Ca -0.05 0.61 -0.02 0.00 -1.71 0.00 0.00 55.69 54.52 1a6x s MET 124 Cb -0.06 -3.37 0.10 0.00 2.01 0.00 0.00 34.83 33.52 1a6x s MET 124 CO -0.00 0.32 0.12 -0.80 -0.01 0.00 0.00 175.02 174.65 1a6x s ASN 125 N 0.03 3.79 0.56 3.03 0.01 0.14 -4.99 114.94 117.51 1a6x s ASN 125 Ca 0.29 -1.62 -0.18 0.00 -0.71 0.00 0.00 52.86 50.63 1a6x s ASN 125 Cb -0.17 -0.68 -0.05 0.00 0.41 0.00 0.00 41.25 40.76 1a6x s ASN 125 CO 0.15 -0.41 1.10 -1.10 -1.51 0.00 0.00 177.10 175.33 1a6x s GLN 126 N 1.66 3.33 -0.20 -0.60 -0.21 -1.26 0.23 119.66 122.61 1a6x s GLN 126 Ca 0.11 1.49 0.01 0.00 0.02 0.00 0.00 55.36 56.99 1a6x s GLN 126 Cb -0.18 -2.01 0.04 0.00 1.00 0.00 0.00 33.01 31.86 1a6x s GLN 126 CO -0.26 -0.84 -0.14 0.42 -2.12 0.00 0.00 175.29 172.35 1a6x s ILE 127 N -1.97 1.88 -0.18 1.08 1.01 -0.46 -4.86 121.20 117.69 1a6x s ILE 127 Ca 0.70 -1.08 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 1a6x s ILE 127 Cb -0.21 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1a6x s ILE 127 CO 0.29 0.27 0.28 -1.61 0.00 0.00 0.00 174.94 174.18 1a6x s GLU 128 N 1.31 4.22 0.06 2.79 2.02 -1.26 0.50 118.70 128.35 1a6x s GLU 128 Ca -0.00 0.05 -0.36 0.00 0.02 0.00 0.00 54.97 54.67 1a6x s GLU 128 Cb -0.16 -3.45 -0.19 0.00 0.10 0.00 0.00 34.13 30.43 1a6x s GLU 128 CO -0.09 0.18 0.92 0.00 0.02 0.00 0.00 175.26 176.28 1a6x n ALA 129 N 3.78 -3.31 -0.59 5.21 0.00 0.83 -4.78 120.51 121.65 1a6x n ALA 129 Ca -0.12 0.55 0.07 0.00 0.00 0.00 0.00 53.44 53.94 1a6x n ALA 129 Cb 0.52 -1.73 0.23 0.00 0.00 0.00 0.00 19.45 18.47 1a6x n ALA 129 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a6x n ASP 130 N 1.67 3.64 -3.01 0.00 -0.08 -1.26 -2.89 116.55 114.62 1a6x n ASP 130 Ca 0.19 -2.50 0.04 0.00 -1.51 0.00 0.00 54.79 51.01 1a6x n ASP 130 Cb 0.14 -0.42 0.00 0.00 2.34 0.00 0.00 41.12 43.18 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1a6x s LYS 131 N -1.91 0.20 0.39 -0.67 2.36 -1.26 -5.01 119.74 113.84 1a6x s LYS 131 Ca 0.36 0.06 -0.20 0.00 -2.55 0.00 0.00 55.97 53.64 1a6x s LYS 131 Cb 0.25 0.06 -0.15 0.00 -1.05 0.00 0.00 37.83 36.93 1a6x s LYS 131 CO 0.14 -0.33 0.07 -1.13 1.55 0.00 0.00 175.35 175.65 1a6x n SER 132 N 4.57 -2.80 0.00 1.43 3.41 -1.26 -4.85 113.62 114.12 1a6x n SER 132 Ca 0.08 0.77 0.00 0.00 -0.26 0.00 0.00 58.87 59.46 1a6x n SER 132 Cb 0.60 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1a6x n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6x n GLY 133 N 2.26 -1.41 2.71 5.00 0.00 -0.10 -4.94 105.19 108.70 1a6x n GLY 133 Ca 0.11 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 1a6x n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a6x n THR 134 N 2.04 0.00 -2.39 2.61 -1.04 -1.26 -0.27 114.28 113.96 1a6x n THR 134 Ca 0.00 -1.64 -0.39 0.00 -2.04 0.00 0.00 64.05 59.98 1a6x n THR 134 Cb 0.00 0.04 -0.03 0.00 -1.82 0.00 0.00 70.33 68.52 1a6x n THR 134 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1a6x s VAL 135 N -2.11 3.34 0.00 12.58 0.11 -1.08 -1.17 120.40 132.07 1a6x s VAL 135 Ca 0.14 1.22 0.00 0.00 -2.93 0.00 0.00 61.98 60.41 1a6x s VAL 135 Cb -0.01 -3.73 0.00 0.00 -1.53 0.00 0.00 36.38 31.11 1a6x s VAL 135 CO 0.09 0.20 0.00 1.17 -3.33 0.00 0.00 175.10 173.23 1a6x n LYS 136 N 0.60 0.00 0.00 1.54 0.00 -0.10 -4.52 118.16 115.68 1a6x n LYS 136 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.33 1a6x n LYS 136 Cb 0.46 -0.62 0.00 0.00 0.00 0.00 0.00 35.03 34.86 1a6x n LYS 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a6x n ALA 137 N -2.60 0.00 -2.79 3.14 0.00 0.55 -4.95 120.51 113.85 1a6x n ALA 137 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1a6x n ALA 137 Cb 0.39 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 1a6x n ALA 137 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1a6x s ILE 138 N -0.29 5.04 -0.16 0.00 1.01 -1.26 0.17 121.20 125.72 1a6x s ILE 138 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 1a6x s ILE 138 Cb 0.00 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 39.12 1a6x s ILE 138 CO 0.00 0.49 -0.15 0.18 0.00 0.00 0.00 174.94 175.46 1a6x n LEU 139 N 3.21 2.59 -4.75 2.97 4.77 -0.84 -4.96 117.00 119.99 1a6x n LEU 139 Ca -0.17 -0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.38 1a6x n LEU 139 Cb 0.53 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1a6x n LEU 139 CO 0.35 0.67 0.86 0.54 -1.33 0.00 0.00 177.39 178.47 1a6x s VAL 140 N -2.30 3.41 -0.18 4.08 0.11 -0.12 -5.02 120.40 120.38 1a6x s VAL 140 Ca -0.21 1.31 -0.08 0.00 -2.93 0.00 0.00 61.98 60.07 1a6x s VAL 140 Cb 0.06 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 31.03 1a6x s VAL 140 CO 0.34 0.27 0.09 -0.70 -3.33 0.00 0.00 175.10 171.77 1a6x s GLU 141 N -0.99 3.98 -0.92 1.54 2.12 -1.26 -4.95 118.70 118.22 1a6x s GLU 141 Ca 0.49 -0.28 -0.22 0.00 0.36 0.00 0.00 54.97 55.32 1a6x s GLU 141 Cb -0.33 -3.28 -0.24 0.00 0.26 0.00 0.00 34.13 30.54 1a6x s GLU 141 CO 0.41 0.34 2.44 -1.13 -0.54 0.00 0.00 175.26 176.78 1a6x n SER 142 N 3.34 0.04 0.00 -1.70 3.41 -1.26 0.19 113.62 117.64 1a6x n SER 142 Ca -0.17 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1a6x n SER 142 Cb 0.52 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1a6x n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6x n GLY 143 N 6.12 1.35 3.73 5.00 0.00 0.87 -4.90 105.19 117.36 1a6x n GLY 143 Ca 0.61 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 46.15 1a6x n GLY 143 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1a6x n GLN 144 N 0.00 2.28 -2.51 1.61 7.27 0.50 -4.62 117.38 121.91 1a6x n GLN 144 Ca 0.00 0.80 -0.40 0.00 0.07 0.00 0.00 57.00 57.48 1a6x n GLN 144 Cb 0.00 -2.49 -0.04 0.00 2.41 0.00 0.00 30.24 30.12 1a6x n GLN 144 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1a6x s PRO 145 N -2.09 4.62 0.29 3.69 0.04 -1.26 -0.96 135.00 139.33 1a6x s PRO 145 Ca 0.56 1.74 0.06 0.00 0.04 0.00 0.00 61.00 63.41 1a6x s PRO 145 Cb -0.51 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 30.87 1a6x s PRO 145 CO 0.61 0.22 0.37 0.14 0.04 0.00 0.00 177.00 178.38 1a6x s VAL 146 N -1.21 4.42 0.18 -0.36 -7.23 0.14 -4.82 120.40 111.53 1a6x s VAL 146 Ca 0.45 -1.11 -0.04 0.00 -1.81 0.00 0.00 61.98 59.46 1a6x s VAL 146 Cb -0.30 -3.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.09 1a6x s VAL 146 CO 0.39 -0.24 0.20 -1.61 -0.31 0.00 0.00 175.10 173.52 1a6x s GLU 147 N -4.03 1.18 0.34 4.82 0.41 -1.26 -1.26 118.70 118.88 1a6x s GLU 147 Ca 0.39 -1.43 -0.29 0.00 -0.41 0.00 0.00 54.97 53.23 1a6x s GLU 147 Cb -0.09 0.32 -0.11 0.00 -1.78 0.00 0.00 34.13 32.47 1a6x s GLU 147 CO 0.29 -0.40 1.51 0.12 -0.49 0.00 0.00 175.26 176.29 1a6x s PHE 148 N -4.07 2.70 -1.42 1.61 5.36 -1.26 -1.02 117.98 119.87 1a6x s PHE 148 Ca 0.28 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 57.29 1a6x s PHE 148 Cb 0.05 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.72 1a6x s PHE 148 CO 0.06 -3.12 0.00 -0.40 -1.46 0.00 0.00 175.22 170.31 1a6x n ASP 149 N 1.18 -4.70 -4.79 6.13 5.68 -1.22 -4.92 116.55 113.92 1a6x n ASP 149 Ca 0.04 0.33 -0.38 0.00 -0.50 0.00 0.00 54.79 54.27 1a6x n ASP 149 Cb 0.39 -3.88 -0.06 0.00 -1.14 0.00 0.00 41.12 36.43 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1a6x s GLU 150 N -3.06 4.20 0.62 0.11 -6.30 -0.19 -4.93 118.70 109.15 1a6x s GLU 150 Ca 0.00 0.63 -0.14 0.00 -2.50 0.00 0.00 54.97 52.95 1a6x s GLU 150 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 34.13 30.81 1a6x s GLU 150 CO 0.00 0.50 1.05 -1.25 0.02 0.00 0.00 175.26 175.58 1a6x s PRO 151 N -0.57 3.25 0.00 4.30 0.04 -1.26 0.31 135.00 141.07 1a6x s PRO 151 Ca 0.28 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1a6x s PRO 151 Cb -0.18 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1a6x s PRO 151 CO 0.16 -0.86 0.00 1.28 0.04 0.00 0.00 177.00 177.62 1a6x n LEU 152 N -2.34 0.00 -4.44 -3.56 4.77 0.49 -4.69 117.00 107.23 1a6x n LEU 152 Ca 0.08 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.79 1a6x n LEU 152 Cb 0.53 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.51 1a6x n LEU 152 CO 0.50 0.00 -0.52 -0.69 -1.33 0.00 0.00 177.39 175.35 1a6x s VAL 153 N 0.00 2.43 -0.25 4.08 1.01 -1.19 -0.94 120.40 125.54 1a6x s VAL 153 Ca 0.00 -1.99 -0.05 0.00 0.00 0.00 0.00 61.98 59.93 1a6x s VAL 153 Cb 0.00 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1a6x s VAL 153 CO 0.00 -0.11 0.02 -0.69 0.00 0.00 0.00 175.10 174.32 1a6x s VAL 154 N -1.66 3.73 0.31 2.92 1.01 0.45 0.13 120.40 127.30 1a6x s VAL 154 Ca 0.21 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.78 1a6x s VAL 154 Cb -0.08 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1a6x s VAL 154 CO 0.10 0.30 0.14 -0.63 0.00 0.00 0.00 175.10 175.01 1a6x s ILE 155 N 1.51 3.39 -0.65 2.22 1.09 -0.16 -0.33 121.20 128.27 1a6x s ILE 155 Ca 0.05 -1.65 0.05 0.00 -1.10 0.00 0.00 60.65 58.00 1a6x s ILE 155 Cb -0.15 -3.04 0.04 0.00 -1.06 0.00 0.00 42.46 38.25 1a6x s ILE 155 CO -0.00 -0.25 0.67 -1.84 -0.10 0.00 0.00 174.94 173.42