#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 0.23 0.00 2.12 0.28 -1.26 -4.71 120.64 117.30 1a6x n GLU 71 Ca 0.00 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 1a6x n GLU 71 Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.37 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1a6x n ALA 72 N -1.29 0.00 -2.37 -1.84 0.00 -1.26 -5.10 120.51 108.66 1a6x n ALA 72 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 1a6x n ALA 72 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 1a6x n ALA 72 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a6x s PRO 73 N 0.00 3.76 -0.30 0.00 0.04 -1.26 -4.95 135.00 132.28 1a6x s PRO 73 Ca 0.00 1.15 -0.10 0.00 0.04 0.00 0.00 61.00 62.08 1a6x s PRO 73 Cb 0.00 -3.95 0.13 0.00 0.04 0.00 0.00 34.50 30.72 1a6x s PRO 73 CO 0.00 -1.33 0.67 0.00 0.04 0.00 0.00 177.00 176.39 1a6x s ALA 74 N 4.90 -2.10 -0.29 8.56 0.00 -1.26 -0.18 121.76 131.40 1a6x s ALA 74 Ca 0.60 2.33 0.03 0.00 0.00 0.00 0.00 51.96 54.92 1a6x s ALA 74 Cb -0.16 -1.80 0.17 0.00 0.00 0.00 0.00 23.12 21.34 1a6x s ALA 74 CO 0.28 -0.93 0.48 0.00 0.00 0.00 0.00 175.76 175.59 1a6x s ALA 75 N 2.86 -1.65 0.00 0.00 0.00 -1.26 -4.97 121.76 116.73 1a6x s ALA 75 Ca -0.06 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1a6x s ALA 75 Cb -0.12 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.78 1a6x s ALA 75 CO -0.19 -1.74 0.00 0.00 0.00 0.00 0.00 175.76 173.83 1a6x n ALA 76 N 5.38 0.00 -3.72 0.00 0.00 -1.26 -4.70 120.51 116.21 1a6x n ALA 76 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.24 1a6x n ALA 76 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1a6x n ALA 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a6x n GLU 77 N 0.00 -1.51 -0.01 0.00 2.13 -1.26 -4.90 120.64 115.09 1a6x n GLU 77 Ca 0.00 0.83 -0.02 0.00 0.66 0.00 0.00 57.16 58.63 1a6x n GLU 77 Cb 0.00 -2.67 -0.01 0.00 0.27 0.00 0.00 31.44 29.03 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 -2.57 0.14 0.00 6.31 -0.00 -1.26 -5.02 119.36 116.96 1a6x n ILE 78 Ca -0.29 -0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.41 1a6x n ILE 78 Cb 0.67 -0.59 0.00 0.00 -0.00 0.00 0.00 39.64 39.72 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1a6x n SER 79 N -2.56 0.00 0.00 7.28 3.41 -1.26 -5.10 113.62 115.39 1a6x n SER 79 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1a6x n SER 79 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1a6x n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6x n GLY 80 N 0.00 -1.86 3.21 5.00 0.00 -1.22 -4.64 105.19 105.68 1a6x n GLY 80 Ca 0.00 1.04 -0.37 0.00 0.00 0.00 0.00 46.02 46.69 1a6x n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a6x s HIS 81 N 0.00 3.35 -0.33 1.61 0.09 0.14 -4.93 115.29 115.22 1a6x s HIS 81 Ca 0.00 -1.77 -0.20 0.00 -0.00 0.00 0.00 55.06 53.09 1a6x s HIS 81 Cb 0.00 -2.59 -0.01 0.00 -0.00 0.00 0.00 32.58 29.99 1a6x s HIS 81 CO 0.00 -0.83 0.60 0.42 -0.00 0.00 0.00 174.74 174.94 1a6x s ILE 82 N 1.31 4.94 -0.20 0.60 1.09 -1.26 0.03 121.20 127.72 1a6x s ILE 82 Ca 0.01 0.67 -0.27 0.00 -1.10 0.00 0.00 60.65 59.96 1a6x s ILE 82 Cb -0.21 -4.01 -0.00 0.00 -1.06 0.00 0.00 42.46 37.18 1a6x s ILE 82 CO 0.00 -0.20 0.95 -0.69 -0.10 0.00 0.00 174.94 174.90 1a6x s VAL 83 N 2.59 4.77 -0.14 2.92 1.01 0.59 -4.95 120.40 127.20 1a6x s VAL 83 Ca 0.23 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 64.06 1a6x s VAL 83 Cb -0.15 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 1a6x s VAL 83 CO 0.13 -0.09 -0.12 -0.13 0.00 0.00 0.00 175.10 174.89 1a6x s ARG 84 N 2.72 3.39 -0.58 2.72 0.52 -1.26 0.19 118.95 126.65 1a6x s ARG 84 Ca 0.42 -0.67 -0.34 0.00 -0.52 0.00 0.00 55.73 54.62 1a6x s ARG 84 Cb -0.16 -2.68 -0.15 0.00 0.52 0.00 0.00 34.95 32.49 1a6x s ARG 84 CO 0.09 0.17 2.37 0.45 0.02 0.00 0.00 175.30 178.40 1a6x n SER 85 N 3.66 1.44 0.00 0.23 2.88 0.14 -4.73 113.62 117.25 1a6x n SER 85 Ca -0.18 0.21 0.11 0.00 -1.33 0.00 0.00 58.87 57.68 1a6x n SER 85 Cb 0.52 -1.17 0.67 0.00 -0.75 0.00 0.00 64.21 63.48 1a6x n SER 85 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a6x n PRO 86 N 8.34 0.75 -3.59 -1.46 -0.04 -1.26 -3.16 135.00 134.58 1a6x n PRO 86 Ca 0.49 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.93 1a6x n PRO 86 Cb 0.19 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 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 0.47 0.29 0.54 -1.94 -1.26 -4.99 119.30 110.41 1a6x s MET 87 Ca 0.34 0.95 -0.29 0.00 -1.71 0.00 0.00 55.69 54.98 1a6x s MET 87 Cb 0.16 0.32 -0.13 0.00 2.01 0.00 0.00 34.83 37.19 1a6x s MET 87 CO 0.26 -0.12 1.25 0.28 -0.01 0.00 0.00 175.02 176.68 1a6x n VAL 88 N 4.47 1.64 0.00 -6.03 0.31 -1.26 -4.78 118.33 112.68 1a6x n VAL 88 Ca -0.15 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1a6x n VAL 88 Cb 0.55 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 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 1.33 -0.69 3.03 2.92 0.00 -0.51 -4.69 105.19 106.59 1a6x n GLY 89 Ca 0.08 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.00 1.64 -0.09 2.61 2.01 0.30 -0.18 115.64 117.93 1a6x s THR 90 Ca 0.00 -0.67 -0.24 0.00 0.31 0.00 0.00 61.69 61.09 1a6x s THR 90 Cb 0.00 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 1a6x s THR 90 CO 0.00 0.47 0.72 0.12 -0.69 0.00 0.00 174.62 175.24 1a6x s PHE 91 N 1.45 3.54 0.07 4.92 2.19 0.13 -0.07 117.98 130.20 1a6x s PHE 91 Ca 0.05 1.24 0.09 0.00 0.33 0.00 0.00 56.93 58.64 1a6x s PHE 91 Cb -0.13 -2.84 -0.03 0.00 -1.31 0.00 0.00 43.02 38.71 1a6x s PHE 91 CO -0.11 0.02 -0.25 0.71 1.83 0.00 0.00 175.22 177.41 1a6x s TYR 92 N 1.09 2.20 -0.56 10.12 2.02 0.39 -0.27 117.35 132.35 1a6x s TYR 92 Ca 0.37 -0.40 0.23 0.00 -0.37 0.00 0.00 57.07 56.90 1a6x s TYR 92 Cb -0.17 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.08 1a6x s TYR 92 CO 0.17 0.17 0.96 0.54 -1.57 0.00 0.00 175.55 175.82 1a6x n ARG 93 N 1.55 0.32 -4.23 -0.62 5.12 -1.26 -1.15 116.66 116.40 1a6x n ARG 93 Ca -0.17 -0.02 -0.17 0.00 -1.93 0.00 0.00 57.85 55.56 1a6x n ARG 93 Cb 0.52 -1.59 -0.11 0.00 -1.16 0.00 0.00 32.46 30.13 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 -3.22 1.21 0.21 0.55 -4.23 -1.26 -1.30 115.64 107.60 1a6x s THR 94 Ca 0.03 -1.74 0.10 0.00 -1.18 0.00 0.00 61.69 58.89 1a6x s THR 94 Cb 0.14 -1.52 -0.08 0.00 1.34 0.00 0.00 72.50 72.38 1a6x s THR 94 CO 0.82 -0.49 1.51 1.55 -0.54 0.00 0.00 174.62 177.46 1a6x h PRO 95 N 3.43 0.00 -4.80 3.99 0.13 -1.88 -3.46 132.00 129.41 1a6x h PRO 95 Ca -0.39 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.32 1a6x h PRO 95 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 1a6x h PRO 95 CO 0.53 0.73 -0.49 -1.12 -0.23 0.00 0.00 178.00 177.42 1a6x s SER 96 N -6.78 1.38 0.01 1.44 0.01 -1.26 -5.07 113.70 103.43 1a6x s SER 96 Ca -0.00 -1.68 -0.20 0.00 1.31 0.00 0.00 55.95 55.37 1a6x s SER 96 Cb 0.12 0.54 -0.22 0.00 0.21 0.00 0.00 66.02 66.66 1a6x s SER 96 CO 0.78 -1.04 1.13 1.55 0.41 0.00 0.00 173.24 176.06 1a6x h PRO 97 N 2.21 0.39 -2.01 12.44 0.13 -1.99 -3.28 132.00 139.89 1a6x h PRO 97 Ca -0.27 -0.39 -0.75 0.00 -0.87 0.00 0.00 66.00 63.72 1a6x h PRO 97 Cb 1.24 0.10 -0.26 0.00 0.13 0.00 0.00 31.00 32.20 1a6x h PRO 97 CO 0.39 1.05 1.03 -3.47 -0.23 0.00 0.00 178.00 176.76 1a6x n ASP 98 N -4.28 7.46 -3.98 1.44 2.03 -1.26 -4.91 116.55 113.05 1a6x n ASP 98 Ca -0.10 -3.79 -0.14 0.00 0.52 0.00 0.00 54.79 51.28 1a6x n ASP 98 Cb 0.62 -1.08 -0.13 0.00 -0.72 0.00 0.00 41.12 39.80 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a6x s ALA 99 N -3.92 0.40 1.17 -1.67 0.00 -1.24 -5.15 121.76 111.35 1a6x s ALA 99 Ca 0.52 -0.40 -0.13 0.00 0.00 0.00 0.00 51.96 51.96 1a6x s ALA 99 Cb 0.43 -0.03 0.29 0.00 0.00 0.00 0.00 23.12 23.80 1a6x s ALA 99 CO -0.40 0.03 1.03 0.15 0.00 0.00 0.00 175.76 176.58 1a6x s LYS 100 N -0.67 -0.95 0.09 0.00 3.01 -1.26 -4.79 119.74 115.18 1a6x s LYS 100 Ca -0.03 0.92 -0.30 0.00 -1.01 0.00 0.00 55.97 55.55 1a6x s LYS 100 Cb -0.05 -1.54 -0.06 0.00 -1.01 0.00 0.00 37.83 35.17 1a6x s LYS 100 CO -0.00 -3.77 1.05 0.00 0.51 0.00 0.00 175.35 173.14 1a6x s ALA 101 N -2.43 3.29 0.29 5.17 0.00 -1.26 -4.55 121.76 122.27 1a6x s ALA 101 Ca 0.69 0.69 0.03 0.00 0.00 0.00 0.00 51.96 53.36 1a6x s ALA 101 Cb -0.25 -3.35 0.72 0.00 0.00 0.00 0.00 23.12 20.24 1a6x s ALA 101 CO 0.65 -0.20 1.69 0.74 0.00 0.00 0.00 175.76 178.63 1a6x h PHE 102 N 5.97 0.58 -3.36 0.00 0.04 -1.55 -3.38 116.94 115.24 1a6x h PHE 102 Ca -0.43 0.04 -0.46 0.00 2.80 0.00 0.00 57.97 59.92 1a6x h PHE 102 Cb 1.21 -0.12 -0.35 0.00 2.20 0.00 0.00 35.95 38.90 1a6x h PHE 102 CO 0.65 -0.08 -0.79 -1.50 -0.60 0.00 0.00 178.31 175.99 1a6x s ILE 103 N -5.90 0.77 -0.34 -0.55 -1.16 -1.26 -4.94 121.20 107.82 1a6x s ILE 103 Ca -0.12 -0.21 -0.16 0.00 -0.51 0.00 0.00 60.65 59.65 1a6x s ILE 103 Cb 0.25 -0.78 -0.01 0.00 0.61 0.00 0.00 42.46 42.53 1a6x s ILE 103 CO 0.78 0.29 0.39 -0.70 -2.81 0.00 0.00 174.94 172.89 1a6x s GLU 104 N 1.16 3.62 -0.50 3.50 -6.30 -1.26 -4.99 118.70 113.92 1a6x s GLU 104 Ca -0.07 -0.32 -0.46 0.00 -2.50 0.00 0.00 54.97 51.62 1a6x s GLU 104 Cb -0.14 -3.79 -0.20 0.00 0.00 0.00 0.00 34.13 30.00 1a6x s GLU 104 CO -0.01 -0.52 1.78 0.28 0.02 0.00 0.00 175.26 176.80 1a6x n VAL 105 N 5.26 0.00 0.00 3.70 0.31 -1.26 -1.30 118.33 125.04 1a6x n VAL 105 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1a6x n VAL 105 Cb 0.49 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 5.18 1.42 3.59 2.92 0.00 -1.26 -5.11 105.19 111.92 1a6x n GLY 106 Ca 0.39 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.23 1.93 0.27 1.61 -0.44 -0.42 -5.01 119.66 117.38 1a6x s GLN 107 Ca 0.00 -1.89 0.07 0.00 -2.50 0.00 0.00 55.36 51.04 1a6x s GLN 107 Cb 0.00 -1.78 -0.03 0.00 -1.64 0.00 0.00 33.01 29.55 1a6x s GLN 107 CO 0.00 0.11 0.26 0.15 0.50 0.00 0.00 175.29 176.31 1a6x s LYS 108 N -3.67 2.98 0.00 1.67 1.02 -1.26 -3.18 119.74 117.31 1a6x s LYS 108 Ca 0.34 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1a6x s LYS 108 Cb 0.02 -2.62 -0.00 0.00 -0.52 0.00 0.00 37.83 34.71 1a6x s LYS 108 CO 0.18 0.32 -0.00 0.14 -0.92 0.00 0.00 175.35 175.06 1a6x s VAL 109 N -2.15 0.02 0.08 3.17 -7.23 -0.11 -5.01 120.40 109.17 1a6x s VAL 109 Ca 0.35 -0.14 0.07 0.00 -1.81 0.00 0.00 61.98 60.46 1a6x s VAL 109 Cb -0.08 -0.05 -0.03 0.00 0.56 0.00 0.00 36.38 36.78 1a6x s VAL 109 CO 0.26 -0.07 -0.19 0.21 -0.31 0.00 0.00 175.10 175.00 1a6x s ASN 110 N -0.22 2.27 -0.54 4.85 3.84 -1.26 -0.88 114.94 123.00 1a6x s ASN 110 Ca -0.02 -0.61 -0.42 0.00 0.21 0.00 0.00 52.86 52.01 1a6x s ASN 110 Cb -0.02 -0.13 -0.19 0.00 -0.55 0.00 0.00 41.25 40.36 1a6x s ASN 110 CO -0.00 0.06 2.20 0.52 -2.79 0.00 0.00 177.10 177.08 1a6x n VAL 111 N 1.38 0.01 0.00 -5.21 0.31 -1.26 -0.07 118.33 113.49 1a6x n VAL 111 Ca -0.19 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1a6x n VAL 111 Cb 0.54 -0.55 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 7.36 1.42 3.79 2.92 0.00 -1.26 -5.04 105.19 114.38 1a6x n GLY 112 Ca 0.56 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.14 6.75 0.62 1.61 1.11 0.90 -4.87 116.67 121.65 1a6x s ASP 113 Ca 0.00 0.89 -0.19 0.00 0.18 0.00 0.00 52.55 53.43 1a6x s ASP 113 Cb 0.00 -2.26 -0.02 0.00 1.07 0.00 0.00 42.92 41.71 1a6x s ASP 113 CO 0.00 0.19 1.30 -0.89 1.18 0.00 0.00 175.17 176.95 1a6x s THR 114 N -0.36 2.12 -0.04 -1.27 2.01 -1.26 -0.38 115.64 116.45 1a6x s THR 114 Ca 0.24 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.33 1a6x s THR 114 Cb -0.16 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1a6x s THR 114 CO 0.12 -0.01 -0.03 -0.11 -0.69 0.00 0.00 174.62 173.89 1a6x n LEU 115 N -1.68 2.54 0.00 4.42 7.94 0.41 -4.67 117.00 125.95 1a6x n LEU 115 Ca 0.14 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 1a6x n LEU 115 Cb 0.48 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.31 1a6x n LEU 115 CO 0.48 0.50 0.12 0.00 -1.11 0.00 0.00 177.39 177.38 1a6x s ILE 117 N -2.02 0.98 -0.05 0.00 1.01 -0.30 0.10 121.20 120.91 1a6x s ILE 117 Ca 0.03 -1.88 -0.02 0.00 0.00 0.00 0.00 60.65 58.79 1a6x s ILE 117 Cb -0.00 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.87 1a6x s ILE 117 CO -0.00 -0.71 0.04 -0.69 0.00 0.00 0.00 174.94 173.58 1a6x s VAL 118 N -3.07 0.08 -0.20 2.92 1.01 0.14 -0.46 120.40 120.81 1a6x s VAL 118 Ca 0.11 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.24 1a6x s VAL 118 Cb 0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1a6x s VAL 118 CO -0.01 0.21 0.40 -0.70 0.00 0.00 0.00 175.10 175.00 1a6x s GLU 119 N 2.07 4.17 -0.03 2.72 2.12 0.89 -0.09 118.70 130.57 1a6x s GLU 119 Ca 0.05 0.20 -0.04 0.00 0.36 0.00 0.00 54.97 55.54 1a6x s GLU 119 Cb -0.12 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.74 1a6x s GLU 119 CO -0.04 -0.04 0.09 0.00 -0.54 0.00 0.00 175.26 174.74 1a6x s ALA 120 N 1.31 -0.22 -1.27 6.30 0.00 0.63 -0.54 121.76 127.97 1a6x s ALA 120 Ca 0.19 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1a6x s ALA 120 Cb -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1a6x s ALA 120 CO 0.08 -0.08 0.00 -1.33 0.00 0.00 0.00 175.76 174.43 1a6x n MET 121 N 2.64 -2.02 -2.84 0.00 2.81 -1.26 0.17 117.12 116.61 1a6x n MET 121 Ca -0.15 0.72 -0.13 0.00 -1.81 0.00 0.00 57.70 56.33 1a6x n MET 121 Cb 0.58 -5.31 0.03 0.00 -0.71 0.00 0.00 33.22 27.81 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 -2.79 -3.35 -3.77 0.03 3.00 -1.26 -5.02 118.16 105.00 1a6x n LYS 122 Ca -0.17 0.48 -0.14 0.00 -0.00 0.00 0.00 58.31 58.48 1a6x n LYS 122 Cb 0.62 -4.45 -0.15 0.00 0.00 0.00 0.00 35.03 31.05 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 -5.38 0.03 0.09 1.64 1.75 0.13 -5.14 119.30 112.42 1a6x s MET 123 Ca 0.23 0.25 -0.30 0.00 -1.25 0.00 0.00 55.69 54.62 1a6x s MET 123 Cb -0.10 -0.18 -0.06 0.00 2.84 0.00 0.00 34.83 37.33 1a6x s MET 123 CO 0.28 -0.15 1.03 -1.64 -0.65 0.00 0.00 175.02 173.90 1a6x s MET 124 N 0.98 4.61 -0.27 4.11 -1.94 -1.26 -0.27 119.30 125.27 1a6x s MET 124 Ca -0.08 1.55 -0.02 0.00 -1.71 0.00 0.00 55.69 55.43 1a6x s MET 124 Cb -0.11 -3.37 0.09 0.00 2.01 0.00 0.00 34.83 33.45 1a6x s MET 124 CO -0.04 0.06 0.08 -0.80 -0.01 0.00 0.00 175.02 174.31 1a6x s ASN 125 N 0.35 3.55 0.79 3.03 0.01 0.88 -4.96 114.94 118.59 1a6x s ASN 125 Ca 0.50 -1.29 -0.12 0.00 -0.71 0.00 0.00 52.86 51.25 1a6x s ASN 125 Cb -0.25 -0.66 0.07 0.00 0.41 0.00 0.00 41.25 40.82 1a6x s ASN 125 CO 0.31 -0.38 1.13 -1.10 -1.51 0.00 0.00 177.10 175.54 1a6x s GLN 126 N 1.80 1.92 -0.14 -0.60 -0.21 -1.26 0.23 119.66 121.40 1a6x s GLN 126 Ca 0.06 1.42 -0.01 0.00 0.02 0.00 0.00 55.36 56.85 1a6x s GLN 126 Cb -0.17 -1.84 0.04 0.00 1.00 0.00 0.00 33.01 32.04 1a6x s GLN 126 CO -0.22 -1.94 -0.01 0.42 -2.12 0.00 0.00 175.29 171.42 1a6x s ILE 127 N -2.59 0.71 0.28 1.08 1.01 0.11 -4.80 121.20 117.00 1a6x s ILE 127 Ca 0.66 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.85 1a6x s ILE 127 Cb -0.21 -0.95 -0.08 0.00 0.01 0.00 0.00 42.46 41.22 1a6x s ILE 127 CO 0.53 0.11 0.65 -0.70 0.00 0.00 0.00 174.94 175.52 1a6x s GLU 128 N 1.81 3.92 0.16 2.79 2.12 -1.26 -0.45 118.70 127.78 1a6x s GLU 128 Ca 0.02 0.49 -0.34 0.00 0.36 0.00 0.00 54.97 55.51 1a6x s GLU 128 Cb -0.14 -2.54 -0.16 0.00 0.26 0.00 0.00 34.13 31.55 1a6x s GLU 128 CO -0.07 0.24 1.26 0.00 -0.54 0.00 0.00 175.26 176.15 1a6x n ALA 129 N -0.23 -0.46 -0.82 6.30 0.00 0.48 -4.78 120.51 121.00 1a6x n ALA 129 Ca 0.02 0.47 0.08 0.00 0.00 0.00 0.00 53.44 54.01 1a6x n ALA 129 Cb 0.53 -2.09 0.22 0.00 0.00 0.00 0.00 19.45 18.11 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 2.24 3.52 0.00 0.00 4.64 -1.26 -4.21 116.55 121.48 1a6x n ASP 130 Ca 0.16 -2.80 0.00 0.00 -1.38 0.00 0.00 54.79 50.76 1a6x n ASP 130 Cb 0.24 -0.46 0.00 0.00 -1.04 0.00 0.00 41.12 39.86 1a6x n ASP 130 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 1a6x n LYS 131 N -0.40 0.00 -1.31 -0.67 0.00 -1.26 -5.09 118.16 109.44 1a6x n LYS 131 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 58.31 58.06 1a6x n LYS 131 Cb 0.77 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.78 1a6x n LYS 131 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1a6x n SER 132 N 0.00 -2.00 0.00 3.14 3.41 -1.26 -4.90 113.62 112.00 1a6x n SER 132 Ca 0.00 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 1a6x n SER 132 Cb 0.00 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 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 2.11 -1.44 3.82 5.00 0.00 -0.05 -4.97 105.19 109.65 1a6x n GLY 133 Ca 0.14 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 1a6x n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6x s THR 134 N -2.71 3.33 0.57 2.61 2.01 -1.26 -0.93 115.64 119.26 1a6x s THR 134 Ca 0.00 -1.45 -0.21 0.00 0.31 0.00 0.00 61.69 60.34 1a6x s THR 134 Cb 0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1a6x s THR 134 CO 0.00 -0.16 1.31 0.54 -0.69 0.00 0.00 174.62 175.61 1a6x s VAL 135 N -2.35 2.24 0.00 3.82 0.11 -1.19 0.19 120.40 123.22 1a6x s VAL 135 Ca 0.41 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.62 1a6x s VAL 135 Cb -0.05 -3.08 0.00 0.00 -1.53 0.00 0.00 36.38 31.72 1a6x s VAL 135 CO 0.26 -0.01 0.00 1.17 -3.33 0.00 0.00 175.10 173.18 1a6x n LYS 136 N -1.23 0.00 0.00 1.54 0.00 0.11 -4.35 118.16 114.22 1a6x n LYS 136 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.43 1a6x n LYS 136 Cb 0.47 -0.47 0.00 0.00 0.00 0.00 0.00 35.03 35.02 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 -2.65 0.00 -2.71 3.14 0.00 0.22 -4.93 120.51 113.58 1a6x n ALA 137 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1a6x n ALA 137 Cb 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.51 4.99 -0.12 0.00 1.09 -1.26 0.18 121.20 125.58 1a6x s ILE 138 Ca 0.00 -0.08 -0.12 0.00 -1.10 0.00 0.00 60.65 59.35 1a6x s ILE 138 Cb 0.00 -3.44 -0.26 0.00 -1.06 0.00 0.00 42.46 37.70 1a6x s ILE 138 CO 0.00 0.18 0.44 -0.07 -0.10 0.00 0.00 174.94 175.38 1a6x h LEU 139 N 8.37 0.38 -9.99 2.97 3.38 -1.74 -3.47 115.31 115.22 1a6x h LEU 139 Ca -0.34 -0.87 -0.48 0.00 0.09 0.00 0.00 57.88 56.28 1a6x h LEU 139 Cb 1.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1a6x h LEU 139 CO 0.58 1.74 0.19 0.54 0.09 0.00 0.00 178.44 181.59 1a6x s VAL 140 N -2.51 4.53 0.28 1.22 0.11 -0.53 -5.06 120.40 118.43 1a6x s VAL 140 Ca -0.22 1.25 0.07 0.00 -2.93 0.00 0.00 61.98 60.15 1a6x s VAL 140 Cb 0.06 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 31.19 1a6x s VAL 140 CO 0.76 -0.12 0.27 -1.61 -3.33 0.00 0.00 175.10 171.06 1a6x s GLU 141 N -2.77 2.98 -0.58 1.54 8.01 -1.26 -4.97 118.70 121.65 1a6x s GLU 141 Ca 0.54 -1.06 -0.26 0.00 0.01 0.00 0.00 54.97 54.20 1a6x s GLU 141 Cb -0.12 -2.62 -0.05 0.00 -4.31 0.00 0.00 34.13 27.04 1a6x s GLU 141 CO 0.17 0.30 2.13 -1.54 0.01 0.00 0.00 175.26 176.34 1a6x s SER 142 N -3.93 4.83 0.00 -0.19 1.04 -1.26 -0.95 113.70 113.24 1a6x s SER 142 Ca 0.36 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.40 1a6x s SER 142 Cb -0.08 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1a6x s SER 142 CO 0.26 -2.68 0.00 0.61 0.98 0.00 0.00 173.24 172.41 1a6x n GLY 143 N 5.93 1.09 3.71 7.32 0.00 0.63 -4.81 105.19 119.06 1a6x n GLY 143 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.01 2.20 -1.59 1.61 7.27 -0.13 -4.53 117.38 122.20 1a6x n GLN 144 Ca 0.00 0.77 -0.31 0.00 0.07 0.00 0.00 57.00 57.53 1a6x n GLN 144 Cb 0.00 -2.40 0.05 0.00 2.41 0.00 0.00 30.24 30.30 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 -1.97 2.95 0.04 3.69 0.04 -1.26 -0.69 135.00 137.80 1a6x s PRO 145 Ca 0.56 0.96 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 1a6x s PRO 145 Cb -0.54 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 1a6x s PRO 145 CO 0.62 -1.09 0.01 0.14 0.04 0.00 0.00 177.00 176.73 1a6x s VAL 146 N -3.03 0.18 0.27 -0.36 -7.23 0.75 -4.72 120.40 106.26 1a6x s VAL 146 Ca 0.58 -1.44 0.05 0.00 -1.81 0.00 0.00 61.98 59.36 1a6x s VAL 146 Cb -0.14 -1.14 -0.06 0.00 0.56 0.00 0.00 36.38 35.60 1a6x s VAL 146 CO 0.54 -0.80 -0.03 -0.70 -0.31 0.00 0.00 175.10 173.81 1a6x s GLU 147 N -3.18 1.49 0.14 4.82 -6.30 -1.26 -1.42 118.70 112.99 1a6x s GLU 147 Ca 0.00 -1.76 -0.31 0.00 -2.50 0.00 0.00 54.97 50.39 1a6x s GLU 147 Cb 0.02 -0.95 -0.10 0.00 0.00 0.00 0.00 34.13 33.11 1a6x s GLU 147 CO -0.07 -0.03 1.58 0.12 0.02 0.00 0.00 175.26 176.87 1a6x s PHE 148 N -3.17 2.94 0.00 5.30 2.19 -1.26 -1.07 117.98 122.91 1a6x s PHE 148 Ca 0.30 0.58 0.00 0.00 0.33 0.00 0.00 56.93 58.14 1a6x s PHE 148 Cb 0.05 -3.92 0.00 0.00 -1.31 0.00 0.00 43.02 37.84 1a6x s PHE 148 CO 0.11 -3.45 0.00 -3.47 1.83 0.00 0.00 175.22 170.24 1a6x n ASP 149 N 4.31 -0.75 -4.87 6.13 -0.08 -1.19 -5.03 116.55 115.07 1a6x n ASP 149 Ca 0.14 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.10 1a6x n ASP 149 Cb 0.39 -0.12 -0.05 0.00 2.34 0.00 0.00 41.12 43.67 1a6x n ASP 149 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1a6x s GLU 150 N -0.23 3.83 0.81 -0.67 0.41 -0.23 -4.91 118.70 117.70 1a6x s GLU 150 Ca 0.00 0.34 -0.12 0.00 -0.41 0.00 0.00 54.97 54.78 1a6x s GLU 150 Cb 0.00 -2.60 0.08 0.00 -1.78 0.00 0.00 34.13 29.83 1a6x s GLU 150 CO 0.00 0.27 1.10 -1.25 -0.49 0.00 0.00 175.26 174.89 1a6x s PRO 151 N -2.93 2.00 0.00 0.39 0.04 -1.26 0.25 135.00 133.49 1a6x s PRO 151 Ca 0.49 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1a6x s PRO 151 Cb -0.11 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1a6x s PRO 151 CO 0.21 -1.67 0.00 1.28 0.04 0.00 0.00 177.00 176.86 1a6x n LEU 152 N -3.46 0.00 -4.12 -3.56 4.77 0.49 -4.47 117.00 106.66 1a6x n LEU 152 Ca 0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.89 1a6x n LEU 152 Cb 0.57 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.54 1a6x n LEU 152 CO 0.57 0.00 -0.43 -0.69 -1.33 0.00 0.00 177.39 175.50 1a6x s VAL 153 N 0.00 0.84 -0.21 4.08 1.01 -1.19 -1.45 120.40 123.48 1a6x s VAL 153 Ca 0.00 -1.16 -0.08 0.00 0.00 0.00 0.00 61.98 60.74 1a6x s VAL 153 Cb 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1a6x s VAL 153 CO 0.00 -0.27 0.09 -0.69 0.00 0.00 0.00 175.10 174.23 1a6x s VAL 154 N -1.26 4.84 0.33 2.92 1.01 0.47 -0.30 120.40 128.41 1a6x s VAL 154 Ca -0.05 -0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.01 1a6x s VAL 154 Cb -0.10 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1a6x s VAL 154 CO 0.01 0.41 -0.01 -0.63 0.00 0.00 0.00 175.10 174.89 1a6x s ILE 155 N 0.74 2.68 0.00 2.22 1.09 0.10 0.05 121.20 128.09 1a6x s ILE 155 Ca 0.04 -2.01 0.00 0.00 -1.10 0.00 0.00 60.65 57.59 1a6x s ILE 155 Cb -0.13 -2.76 0.00 0.00 -1.06 0.00 0.00 42.46 38.51 1a6x s ILE 155 CO 0.02 -0.23 0.00 -1.84 -0.10 0.00 0.00 174.94 172.79