#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 -0.91 -0.20 2.12 0.00 -1.26 -4.78 120.64 115.61 1a6x n GLU 71 Ca 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 57.16 57.19 1a6x n GLU 71 Cb 0.00 -3.55 -0.00 0.00 0.00 0.00 0.00 31.44 27.89 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a6x h ALA 72 N 0.86 -0.11 0.00 -1.84 0.00 -2.08 -2.26 119.26 113.83 1a6x h ALA 72 Ca -0.62 0.15 -0.57 0.00 0.00 0.00 0.00 54.91 53.87 1a6x h ALA 72 Cb 1.33 0.82 0.02 0.00 0.00 0.00 0.00 17.79 19.95 1a6x h ALA 72 CO 0.70 -0.71 2.99 -0.35 0.00 0.00 0.00 179.25 181.88 1a6x n PRO 73 N -5.43 2.55 0.40 0.00 -0.04 -1.26 -4.62 135.00 126.60 1a6x n PRO 73 Ca 0.04 -1.94 -0.16 0.00 -0.04 0.00 0.00 63.50 61.40 1a6x n PRO 73 Cb 0.35 -2.79 -0.07 0.00 -0.04 0.00 0.00 33.50 30.95 1a6x n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a6x h ALA 74 N 6.21 -1.13 0.00 0.55 0.00 -1.76 -3.45 119.26 119.68 1a6x h ALA 74 Ca 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1a6x h ALA 74 Cb 0.38 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1a6x h ALA 74 CO 1.72 -1.05 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1a6x n ALA 75 N -2.61 0.00 -3.55 0.00 0.00 -1.26 -4.65 120.51 108.44 1a6x n ALA 75 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 1a6x n ALA 75 Cb 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 1a6x n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x s ALA 76 N 0.00 -1.83 0.16 0.00 0.00 -1.26 -5.13 121.76 113.70 1a6x s ALA 76 Ca 0.00 1.50 -0.31 0.00 0.00 0.00 0.00 51.96 53.15 1a6x s ALA 76 Cb 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 23.12 22.60 1a6x s ALA 76 CO 0.00 -0.34 1.77 -1.83 0.00 0.00 0.00 175.76 175.36 1a6x s GLU 77 N -0.92 4.14 0.43 0.00 4.04 -1.26 -4.58 118.70 120.54 1a6x s GLU 77 Ca -0.06 2.58 0.00 0.00 0.04 0.00 0.00 54.97 57.53 1a6x s GLU 77 Cb -0.01 -3.35 0.00 0.00 0.02 0.00 0.00 34.13 30.79 1a6x s GLU 77 CO 0.06 -0.79 0.00 -0.89 -1.84 0.00 0.00 175.26 171.80 1a6x n ILE 78 N 4.38 -3.49 0.02 1.83 2.08 -1.26 -5.03 119.36 117.89 1a6x n ILE 78 Ca 0.17 1.56 -0.00 0.00 0.56 0.00 0.00 62.75 65.04 1a6x n ILE 78 Cb 0.37 -2.29 -0.00 0.00 -0.75 0.00 0.00 39.64 36.97 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1a6x n SER 79 N -1.51 0.50 -2.19 4.38 3.41 -1.26 -5.12 113.62 111.83 1a6x n SER 79 Ca 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1a6x n SER 79 Cb 0.15 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 3.40 -5.08 3.54 5.00 0.00 -1.25 -5.04 105.19 105.77 1a6x n GLY 80 Ca -0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.51 2.36 -0.10 1.61 2.46 0.14 -4.92 115.29 116.33 1a6x s HIS 81 Ca 0.00 -0.57 -0.03 0.00 0.47 0.00 0.00 55.06 54.93 1a6x s HIS 81 Cb 0.00 -1.42 0.05 0.00 -0.13 0.00 0.00 32.58 31.07 1a6x s HIS 81 CO 0.00 0.50 0.10 0.42 -2.47 0.00 0.00 174.74 173.30 1a6x s ILE 82 N -2.70 -0.15 -0.17 0.89 1.01 -1.26 0.15 121.20 118.97 1a6x s ILE 82 Ca 0.33 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.90 1a6x s ILE 82 Cb 0.04 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.15 1a6x s ILE 82 CO 0.16 0.02 1.48 -0.69 0.00 0.00 0.00 174.94 175.91 1a6x s VAL 83 N 2.20 3.90 -0.38 2.92 1.01 0.20 -4.89 120.40 125.35 1a6x s VAL 83 Ca 0.04 1.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.97 1a6x s VAL 83 Cb -0.13 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1a6x s VAL 83 CO -0.06 -0.21 0.21 -0.13 0.00 0.00 0.00 175.10 174.91 1a6x s ARG 84 N 4.08 2.80 -0.62 2.72 0.52 -1.26 0.19 118.95 127.38 1a6x s ARG 84 Ca 0.65 -1.11 -0.36 0.00 -0.52 0.00 0.00 55.73 54.38 1a6x s ARG 84 Cb -0.25 -3.74 -0.17 0.00 0.52 0.00 0.00 34.95 31.31 1a6x s ARG 84 CO 0.24 -0.72 2.35 -1.13 0.02 0.00 0.00 175.30 176.06 1a6x n SER 85 N 4.99 1.09 0.00 0.23 3.41 0.14 -4.72 113.62 118.77 1a6x n SER 85 Ca -0.12 0.35 0.11 0.00 -0.26 0.00 0.00 58.87 58.95 1a6x n SER 85 Cb 0.46 -1.06 0.66 0.00 -0.26 0.00 0.00 64.21 64.01 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 8.12 0.75 -3.74 4.33 -0.04 -1.26 -3.18 135.00 139.98 1a6x n PRO 86 Ca 0.53 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.87 1a6x n PRO 86 Cb 0.10 -1.46 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 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 0.30 0.23 0.54 -1.94 -1.26 -4.94 119.30 110.22 1a6x s MET 87 Ca 0.33 0.53 -0.30 0.00 -1.71 0.00 0.00 55.69 54.55 1a6x s MET 87 Cb 0.15 0.01 -0.09 0.00 2.01 0.00 0.00 34.83 36.92 1a6x s MET 87 CO 0.26 -0.11 1.02 0.08 -0.01 0.00 0.00 175.02 176.25 1a6x s VAL 88 N 0.86 3.88 0.00 -6.03 1.01 -1.26 -4.57 120.40 114.29 1a6x s VAL 88 Ca -0.06 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1a6x s VAL 88 Cb -0.07 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1a6x s VAL 88 CO -0.06 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1a6x n GLY 89 N 1.55 -0.55 3.54 4.51 0.00 -0.47 -4.76 105.19 109.01 1a6x n GLY 89 Ca -0.01 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 1.87 -0.01 2.61 2.01 -0.31 0.23 115.64 122.04 1a6x s THR 90 Ca 0.00 -2.07 0.01 0.00 0.31 0.00 0.00 61.69 59.94 1a6x s THR 90 Cb 0.00 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.72 1a6x s THR 90 CO 0.00 -0.10 -0.03 0.12 -0.69 0.00 0.00 174.62 173.93 1a6x s PHE 91 N -2.83 0.27 0.03 4.92 2.19 0.23 -0.63 117.98 122.17 1a6x s PHE 91 Ca 0.34 -0.04 0.02 0.00 0.33 0.00 0.00 56.93 57.57 1a6x s PHE 91 Cb 0.07 -0.21 -0.02 0.00 -1.31 0.00 0.00 43.02 41.55 1a6x s PHE 91 CO 0.16 -0.02 -0.07 0.71 1.83 0.00 0.00 175.22 177.83 1a6x s TYR 92 N 0.09 0.58 -0.06 10.12 2.02 0.66 0.74 117.35 131.50 1a6x s TYR 92 Ca -0.01 -0.40 0.14 0.00 -0.37 0.00 0.00 57.07 56.43 1a6x s TYR 92 Cb -0.03 -0.35 -0.21 0.00 -0.40 0.00 0.00 41.96 40.97 1a6x s TYR 92 CO -0.00 -0.07 0.32 0.54 -1.57 0.00 0.00 175.55 174.77 1a6x n ARG 93 N 1.83 0.58 -4.10 -0.62 1.74 -1.26 -0.30 116.66 114.53 1a6x n ARG 93 Ca -0.20 -0.12 -0.11 0.00 -0.77 0.00 0.00 57.85 56.65 1a6x n ARG 93 Cb 0.56 -1.32 -0.11 0.00 -1.02 0.00 0.00 32.46 30.57 1a6x n ARG 93 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a6x s THR 94 N -2.91 0.51 -0.92 0.55 -4.23 -1.26 -1.47 115.64 105.90 1a6x s THR 94 Ca -0.04 -1.49 0.22 0.00 -1.18 0.00 0.00 61.69 59.20 1a6x s THR 94 Cb 0.09 -1.10 0.20 0.00 1.34 0.00 0.00 72.50 73.02 1a6x s THR 94 CO 0.58 -0.66 1.71 -0.81 -0.54 0.00 0.00 174.62 174.89 1a6x n PRO 95 N 0.72 0.05 -3.80 3.99 -0.04 -1.26 -4.87 135.00 129.78 1a6x n PRO 95 Ca -0.18 0.16 -0.04 0.00 -0.04 0.00 0.00 63.50 63.40 1a6x n PRO 95 Cb 0.58 -1.57 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1a6x n PRO 95 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1a6x s SER 96 N -3.28 -0.13 0.30 3.54 0.01 -1.26 -4.97 113.70 107.91 1a6x s SER 96 Ca 0.10 -0.56 0.15 0.00 1.31 0.00 0.00 55.95 56.95 1a6x s SER 96 Cb 0.14 0.56 0.37 0.00 0.21 0.00 0.00 66.02 67.29 1a6x s SER 96 CO 0.42 -1.06 1.59 1.55 0.41 0.00 0.00 173.24 176.15 1a6x h PRO 97 N 2.00 0.00 -0.23 12.44 0.13 -1.96 -3.06 132.00 141.32 1a6x h PRO 97 Ca -0.25 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.81 1a6x h PRO 97 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1a6x h PRO 97 CO 0.29 0.53 -0.07 -0.25 -0.23 0.00 0.00 178.00 178.27 1a6x n ASP 98 N -3.48 2.92 -4.79 1.44 9.92 -1.26 -5.00 116.55 116.29 1a6x n ASP 98 Ca 0.00 -3.38 -0.22 0.00 -0.53 0.00 0.00 54.79 50.66 1a6x n ASP 98 Cb 0.63 -0.56 -0.05 0.00 -0.64 0.00 0.00 41.12 40.51 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a6x s ALA 99 N -3.03 3.58 1.38 2.24 0.00 -1.16 -5.11 121.76 119.66 1a6x s ALA 99 Ca 0.41 -1.56 -0.21 0.00 0.00 0.00 0.00 51.96 50.60 1a6x s ALA 99 Cb 0.36 -1.13 0.35 0.00 0.00 0.00 0.00 23.12 22.70 1a6x s ALA 99 CO 0.03 0.17 0.86 1.63 0.00 0.00 0.00 175.76 178.45 1a6x n LYS 100 N -1.19 -4.11 -5.00 0.00 5.02 -1.26 -4.76 118.16 106.86 1a6x n LYS 100 Ca -0.05 -1.21 -0.32 0.00 -2.02 0.00 0.00 58.31 54.70 1a6x n LYS 100 Cb 0.59 -1.96 -0.15 0.00 -0.02 0.00 0.00 35.03 33.49 1a6x n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a6x s ALA 101 N -2.19 2.46 0.28 7.82 0.00 -1.26 -4.23 121.76 124.65 1a6x s ALA 101 Ca 0.66 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 1a6x s ALA 101 Cb -0.15 -0.93 0.40 0.00 0.00 0.00 0.00 23.12 22.43 1a6x s ALA 101 CO 0.58 0.41 1.90 0.74 0.00 0.00 0.00 175.76 179.40 1a6x h PHE 102 N 6.02 1.01 -3.02 0.00 0.04 -1.58 -3.34 116.94 116.08 1a6x h PHE 102 Ca -0.35 -0.02 -0.61 0.00 2.80 0.00 0.00 57.97 59.79 1a6x h PHE 102 Cb 1.18 -0.32 -0.40 0.00 2.20 0.00 0.00 35.95 38.60 1a6x h PHE 102 CO 0.47 0.71 -0.72 0.96 -0.60 0.00 0.00 178.31 179.13 1a6x s ILE 103 N -5.67 1.63 -0.32 -0.55 -5.25 -1.26 -4.73 121.20 105.06 1a6x s ILE 103 Ca -0.11 -2.79 -0.28 0.00 -0.99 0.00 0.00 60.65 56.47 1a6x s ILE 103 Cb 0.17 -2.13 -0.02 0.00 2.95 0.00 0.00 42.46 43.43 1a6x s ILE 103 CO 0.80 -0.90 1.81 -0.70 -1.79 0.00 0.00 174.94 174.15 1a6x s GLU 104 N 0.12 3.35 -0.49 0.37 2.12 -1.25 -4.86 118.70 118.06 1a6x s GLU 104 Ca 0.19 1.47 -0.46 0.00 0.36 0.00 0.00 54.97 56.52 1a6x s GLU 104 Cb -0.22 -4.20 -0.20 0.00 0.26 0.00 0.00 34.13 29.78 1a6x s GLU 104 CO -0.02 -1.83 1.74 0.28 -0.54 0.00 0.00 175.26 174.88 1a6x n VAL 105 N 7.40 0.01 0.00 3.70 0.31 -1.26 0.28 118.33 128.77 1a6x n VAL 105 Ca 0.23 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1a6x n VAL 105 Cb 0.47 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 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 4.86 0.96 3.77 2.92 0.00 -1.26 -5.10 105.19 111.34 1a6x n GLY 106 Ca 0.37 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.69 2.48 0.40 1.61 -0.44 0.14 -4.98 119.66 118.18 1a6x s GLN 107 Ca 0.00 -1.47 0.08 0.00 -2.50 0.00 0.00 55.36 51.46 1a6x s GLN 107 Cb 0.00 -2.27 -0.03 0.00 -1.64 0.00 0.00 33.01 29.07 1a6x s GLN 107 CO 0.00 0.10 0.31 -1.59 0.50 0.00 0.00 175.29 174.62 1a6x s LYS 108 N -3.89 2.47 -0.10 1.67 -2.85 -1.26 -2.92 119.74 112.86 1a6x s LYS 108 Ca 0.39 -1.58 -0.09 0.00 -1.00 0.00 0.00 55.97 53.69 1a6x s LYS 108 Cb -0.03 -2.29 0.03 0.00 -2.06 0.00 0.00 37.83 33.48 1a6x s LYS 108 CO 0.24 -0.13 0.26 0.14 0.10 0.00 0.00 175.35 175.96 1a6x s VAL 109 N -2.48 -0.00 0.16 1.79 -7.23 -0.19 -5.00 120.40 107.45 1a6x s VAL 109 Ca 0.45 0.01 0.09 0.00 -1.81 0.00 0.00 61.98 60.72 1a6x s VAL 109 Cb -0.02 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 1a6x s VAL 109 CO 0.26 0.01 -0.19 0.21 -0.31 0.00 0.00 175.10 175.08 1a6x s ASN 110 N 0.24 2.78 -0.56 4.85 3.84 -1.26 -0.54 114.94 124.29 1a6x s ASN 110 Ca -0.01 -0.85 -0.42 0.00 0.21 0.00 0.00 52.86 51.79 1a6x s ASN 110 Cb -0.03 -0.17 -0.19 0.00 -0.55 0.00 0.00 41.25 40.31 1a6x s ASN 110 CO -0.00 -0.00 2.21 0.52 -2.79 0.00 0.00 177.10 177.03 1a6x n VAL 111 N 0.35 0.00 0.00 -5.21 0.31 -1.26 0.53 118.33 113.05 1a6x n VAL 111 Ca -0.14 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1a6x n VAL 111 Cb 0.57 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 3.10 3.74 2.92 0.00 -1.23 -5.04 105.19 116.03 1a6x n GLY 112 Ca 0.56 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.13 7.03 1.15 1.61 1.11 0.19 -4.64 116.67 122.99 1a6x s ASP 113 Ca 0.00 2.29 -0.18 0.00 0.18 0.00 0.00 52.55 54.85 1a6x s ASP 113 Cb 0.00 -2.61 0.17 0.00 1.07 0.00 0.00 42.92 41.55 1a6x s ASP 113 CO 0.00 -0.41 0.26 0.41 1.18 0.00 0.00 175.17 176.61 1a6x n THR 114 N 2.45 0.00 0.00 -1.27 -1.04 -1.26 0.13 114.28 113.29 1a6x n THR 114 Ca 0.05 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1a6x n THR 114 Cb 0.44 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 1a6x n THR 114 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1a6x n LEU 115 N -2.44 0.25 0.00 -4.42 4.77 0.11 -4.19 117.00 111.08 1a6x n LEU 115 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1a6x n LEU 115 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1a6x n LEU 115 CO 0.47 -0.20 0.00 0.00 -1.33 0.00 0.00 177.39 176.34 1a6x s ILE 117 N -2.09 0.19 -0.02 0.00 1.01 0.59 -0.10 121.20 120.77 1a6x s ILE 117 Ca 0.00 -1.36 -0.00 0.00 0.00 0.00 0.00 60.65 59.29 1a6x s ILE 117 Cb 0.00 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.61 1a6x s ILE 117 CO 0.00 -0.74 0.03 -0.69 0.00 0.00 0.00 174.94 173.55 1a6x s VAL 118 N -2.66 -0.06 -0.16 2.92 1.01 0.14 -0.24 120.40 121.34 1a6x s VAL 118 Ca -0.04 0.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 1a6x s VAL 118 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 1a6x s VAL 118 CO -0.05 0.10 0.66 -0.70 0.00 0.00 0.00 175.10 175.10 1a6x s GLU 119 N 1.16 4.28 -0.03 2.72 2.12 0.20 -0.06 118.70 129.10 1a6x s GLU 119 Ca -0.08 0.71 -0.17 0.00 0.36 0.00 0.00 54.97 55.79 1a6x s GLU 119 Cb -0.13 -3.54 0.03 0.00 0.26 0.00 0.00 34.13 30.76 1a6x s GLU 119 CO -0.03 -0.15 0.37 0.00 -0.54 0.00 0.00 175.26 174.91 1a6x s ALA 120 N 1.58 -0.94 -1.60 6.30 0.00 -0.54 -1.16 121.76 125.40 1a6x s ALA 120 Ca 0.32 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.66 1a6x s ALA 120 Cb -0.16 0.03 0.10 0.00 0.00 0.00 0.00 23.12 23.09 1a6x s ALA 120 CO 0.12 -0.27 0.66 -1.33 0.00 0.00 0.00 175.76 174.94 1a6x n MET 121 N 1.29 -3.28 -4.02 0.00 2.81 -1.26 0.24 117.12 112.89 1a6x n MET 121 Ca -0.21 0.39 -0.30 0.00 -1.81 0.00 0.00 57.70 55.77 1a6x n MET 121 Cb 0.56 -4.90 -0.01 0.00 -0.71 0.00 0.00 33.22 28.16 1a6x n MET 121 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1a6x n LYS 122 N -4.42 -3.79 -3.65 0.03 2.85 -1.26 -4.94 118.16 102.99 1a6x n LYS 122 Ca -0.06 0.44 -0.08 0.00 -1.05 0.00 0.00 58.31 57.57 1a6x n LYS 122 Cb 0.56 -4.95 -0.07 0.00 -0.65 0.00 0.00 35.03 29.91 1a6x n LYS 122 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1a6x s MET 123 N -6.66 0.69 0.34 -1.58 1.75 0.14 -5.15 119.30 108.84 1a6x s MET 123 Ca 0.38 1.14 -0.29 0.00 -1.25 0.00 0.00 55.69 55.68 1a6x s MET 123 Cb -0.20 0.16 -0.11 0.00 2.84 0.00 0.00 34.83 37.52 1a6x s MET 123 CO 0.89 -0.14 1.37 -1.64 -0.65 0.00 0.00 175.02 174.84 1a6x s MET 124 N 1.44 4.27 -0.26 4.11 -1.94 -1.26 -1.47 119.30 124.19 1a6x s MET 124 Ca -0.09 2.34 -0.03 0.00 -1.71 0.00 0.00 55.69 56.20 1a6x s MET 124 Cb -0.05 -3.04 0.09 0.00 2.01 0.00 0.00 34.83 33.83 1a6x s MET 124 CO -0.16 -0.31 0.10 -0.80 -0.01 0.00 0.00 175.02 173.84 1a6x s ASN 125 N -0.35 3.33 0.72 3.03 0.01 0.91 -4.91 114.94 117.69 1a6x s ASN 125 Ca 0.50 -1.17 -0.13 0.00 -0.71 0.00 0.00 52.86 51.35 1a6x s ASN 125 Cb -0.42 -0.50 0.03 0.00 0.41 0.00 0.00 41.25 40.78 1a6x s ASN 125 CO 0.56 -0.39 1.12 -1.10 -1.51 0.00 0.00 177.10 175.77 1a6x s GLN 126 N 1.95 2.44 -0.19 -0.60 -0.21 -1.26 0.23 119.66 122.01 1a6x s GLN 126 Ca 0.06 1.38 0.01 0.00 0.02 0.00 0.00 55.36 56.83 1a6x s GLN 126 Cb -0.16 -1.91 0.04 0.00 1.00 0.00 0.00 33.01 31.98 1a6x s GLN 126 CO -0.24 -1.53 -0.13 0.42 -2.12 0.00 0.00 175.29 171.69 1a6x s ILE 127 N -2.48 1.76 -0.07 1.08 1.01 0.85 -4.82 121.20 118.53 1a6x s ILE 127 Ca 0.66 -1.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.12 1a6x s ILE 127 Cb -0.21 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1a6x s ILE 127 CO 0.47 0.25 0.51 -1.83 0.00 0.00 0.00 174.94 174.35 1a6x s GLU 128 N 1.36 4.28 0.06 2.79 1.03 -1.26 0.07 118.70 127.03 1a6x s GLU 128 Ca -0.00 0.54 -0.36 0.00 0.03 0.00 0.00 54.97 55.18 1a6x s GLU 128 Cb -0.16 -3.38 -0.19 0.00 -0.80 0.00 0.00 34.13 29.61 1a6x s GLU 128 CO -0.09 0.29 0.93 0.00 -1.33 0.00 0.00 175.26 175.05 1a6x n ALA 129 N 3.15 -3.27 -0.74 -0.84 0.00 0.12 -4.84 120.51 114.09 1a6x n ALA 129 Ca -0.08 0.55 0.04 0.00 0.00 0.00 0.00 53.44 53.95 1a6x n ALA 129 Cb 0.52 -1.74 0.06 0.00 0.00 0.00 0.00 19.45 18.29 1a6x n ALA 129 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a6x n ASP 130 N 1.68 1.74 -2.81 0.00 5.75 -1.26 -3.56 116.55 118.10 1a6x n ASP 130 Ca 0.19 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 1a6x n ASP 130 Cb 0.14 -0.20 0.01 0.00 -1.03 0.00 0.00 41.12 40.04 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1a6x s LYS 131 N -1.57 0.34 0.00 0.11 2.20 -1.26 -5.03 119.74 114.53 1a6x s LYS 131 Ca 0.13 -0.19 -0.38 0.00 -0.36 0.00 0.00 55.97 55.16 1a6x s LYS 131 Cb 0.12 0.02 -0.19 0.00 -1.51 0.00 0.00 37.83 36.26 1a6x s LYS 131 CO 0.01 -0.47 1.03 -1.13 -0.36 0.00 0.00 175.35 174.43 1a6x n SER 132 N 3.49 -0.01 -1.54 1.43 3.41 -1.26 -4.89 113.62 114.25 1a6x n SER 132 Ca 0.09 1.12 -0.01 0.00 -0.26 0.00 0.00 58.87 59.81 1a6x n SER 132 Cb 0.62 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 1.44 1.11 3.31 5.00 0.00 0.29 -4.97 105.19 111.38 1a6x n GLY 133 Ca 0.19 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 1a6x n GLY 133 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1a6x s THR 134 N -2.44 1.89 1.00 2.61 -1.32 -1.26 -1.02 115.64 115.10 1a6x s THR 134 Ca 0.05 -1.45 -0.18 0.00 -1.21 0.00 0.00 61.69 58.91 1a6x s THR 134 Cb -0.01 -1.66 -0.13 0.00 -1.51 0.00 0.00 72.50 69.19 1a6x s THR 134 CO 0.01 0.13 -0.74 0.55 -2.21 0.00 0.00 174.62 172.36 1a6x n VAL 135 N 1.41 0.00 0.00 5.08 3.14 -1.15 0.80 118.33 127.62 1a6x n VAL 135 Ca -0.18 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 1a6x n VAL 135 Cb 0.53 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 1a6x n VAL 135 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1a6x n LYS 136 N 2.02 0.00 0.00 1.45 3.00 0.31 -3.82 118.16 121.12 1a6x n LYS 136 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1a6x n LYS 136 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 35.51 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 -2.10 0.00 -2.62 3.14 0.00 0.04 -4.96 120.51 114.00 1a6x n ALA 137 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1a6x n ALA 137 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.37 5.01 -0.01 0.00 -1.09 -1.26 0.18 121.20 123.66 1a6x s ILE 138 Ca 0.00 -0.57 -0.15 0.00 -2.23 0.00 0.00 60.65 57.70 1a6x s ILE 138 Cb 0.00 -3.71 -0.33 0.00 -1.58 0.00 0.00 42.46 36.84 1a6x s ILE 138 CO 0.00 -0.17 0.85 -0.07 -1.23 0.00 0.00 174.94 174.32 1a6x h LEU 139 N 8.51 0.70 -9.75 2.97 3.38 -1.47 -3.45 115.31 116.21 1a6x h LEU 139 Ca -0.28 -0.93 -0.53 0.00 0.09 0.00 0.00 57.88 56.23 1a6x h LEU 139 Cb 1.13 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1a6x h LEU 139 CO 0.68 1.70 0.14 0.54 0.09 0.00 0.00 178.44 181.58 1a6x s VAL 140 N -2.56 4.45 0.30 1.22 0.11 -0.66 -5.06 120.40 118.19 1a6x s VAL 140 Ca -0.13 1.57 0.06 0.00 -2.93 0.00 0.00 61.98 60.55 1a6x s VAL 140 Cb 0.04 -4.06 -0.02 0.00 -1.53 0.00 0.00 36.38 30.82 1a6x s VAL 140 CO 0.89 0.47 0.43 -0.70 -3.33 0.00 0.00 175.10 172.86 1a6x s GLU 141 N -1.29 3.25 -0.58 1.54 2.12 -1.26 -4.94 118.70 117.53 1a6x s GLU 141 Ca 0.36 -0.90 -0.26 0.00 0.36 0.00 0.00 54.97 54.53 1a6x s GLU 141 Cb -0.22 -2.84 -0.03 0.00 0.26 0.00 0.00 34.13 31.31 1a6x s GLU 141 CO 0.24 0.20 1.94 -1.12 -0.54 0.00 0.00 175.26 175.98 1a6x s SER 142 N -4.10 5.16 0.00 -1.70 0.01 -1.26 -1.43 113.70 110.39 1a6x s SER 142 Ca 0.41 0.48 0.00 0.00 1.31 0.00 0.00 55.95 58.15 1a6x s SER 142 Cb -0.09 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1a6x s SER 142 CO 0.30 -2.43 0.00 0.61 0.41 0.00 0.00 173.24 172.13 1a6x n GLY 143 N 5.74 1.40 3.69 3.44 0.00 0.23 -4.93 105.19 114.74 1a6x n GLY 143 Ca 0.23 0.00 -0.36 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 -0.08 0.78 -1.55 1.61 7.27 -0.51 -4.48 117.38 120.43 1a6x n GLN 144 Ca 0.00 0.33 -0.29 0.00 0.07 0.00 0.00 57.00 57.11 1a6x n GLN 144 Cb 0.00 -2.42 0.13 0.00 2.41 0.00 0.00 30.24 30.35 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 -3.47 1.29 0.05 3.69 0.04 -1.26 -0.60 135.00 134.74 1a6x s PRO 145 Ca 0.79 0.33 -0.04 0.00 0.04 0.00 0.00 61.00 62.12 1a6x s PRO 145 Cb -0.36 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1a6x s PRO 145 CO 0.45 -2.11 0.07 0.14 0.04 0.00 0.00 177.00 175.59 1a6x s VAL 146 N -3.27 0.15 0.06 -0.36 -7.23 0.13 -4.66 120.40 105.22 1a6x s VAL 146 Ca 0.63 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 1a6x s VAL 146 Cb -0.15 -1.06 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 1a6x s VAL 146 CO 0.53 -0.70 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.88 1a6x s GLU 147 N -3.01 0.61 0.34 4.82 2.56 -1.26 -1.37 118.70 121.39 1a6x s GLU 147 Ca -0.02 -1.08 -0.29 0.00 0.00 0.00 0.00 54.97 53.59 1a6x s GLU 147 Cb 0.01 0.01 -0.11 0.00 2.00 0.00 0.00 34.13 36.04 1a6x s GLU 147 CO -0.06 -0.05 1.52 0.34 -0.56 0.00 0.00 175.26 176.44 1a6x n PHE 148 N 0.52 2.91 -0.93 5.30 -0.00 -1.25 -0.70 117.46 123.31 1a6x n PHE 148 Ca -0.16 0.38 0.00 0.00 -0.00 0.00 0.00 57.45 57.67 1a6x n PHE 148 Cb 0.59 -2.55 0.00 0.00 -0.00 0.00 0.00 39.48 37.52 1a6x n PHE 148 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1a6x n ASP 149 N 1.08 -2.63 -4.80 -2.13 -0.08 -1.19 -4.98 116.55 101.83 1a6x n ASP 149 Ca 0.04 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.94 1a6x n ASP 149 Cb 0.38 -1.43 -0.06 0.00 2.34 0.00 0.00 41.12 42.34 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1a6x s GLU 150 N -0.65 4.06 0.36 -0.67 2.56 0.13 -4.91 118.70 119.58 1a6x s GLU 150 Ca 0.00 0.40 -0.26 0.00 0.00 0.00 0.00 54.97 55.11 1a6x s GLU 150 Cb 0.00 -3.30 -0.09 0.00 2.00 0.00 0.00 34.13 32.74 1a6x s GLU 150 CO 0.00 0.51 1.06 -1.25 -0.56 0.00 0.00 175.26 175.03 1a6x s PRO 151 N -0.50 4.34 0.00 4.30 0.04 -1.26 0.25 135.00 142.17 1a6x s PRO 151 Ca 0.24 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1a6x s PRO 151 Cb -0.16 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.60 1a6x s PRO 151 CO 0.12 -0.01 0.00 1.28 0.04 0.00 0.00 177.00 178.43 1a6x n LEU 152 N 0.39 0.00 -4.49 -3.56 4.77 0.49 -4.58 117.00 110.02 1a6x n LEU 152 Ca 0.03 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.68 1a6x n LEU 152 Cb 0.48 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1a6x n LEU 152 CO 0.48 -0.03 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.40 1a6x s VAL 153 N -0.06 3.32 -0.24 4.08 1.01 -1.25 -1.13 120.40 126.13 1a6x s VAL 153 Ca 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1a6x s VAL 153 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1a6x s VAL 153 CO 0.00 0.58 0.18 -0.69 0.00 0.00 0.00 175.10 175.17 1a6x s VAL 154 N -0.52 5.34 0.32 2.92 1.01 0.49 -0.63 120.40 129.34 1a6x s VAL 154 Ca 0.07 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.35 1a6x s VAL 154 Cb -0.12 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1a6x s VAL 154 CO 0.02 0.33 0.12 -0.63 0.00 0.00 0.00 175.10 174.93 1a6x s ILE 155 N 1.13 3.16 -2.42 2.22 -1.09 0.12 -0.53 121.20 123.79 1a6x s ILE 155 Ca 0.08 -1.73 0.29 0.00 -2.23 0.00 0.00 60.65 57.06 1a6x s ILE 155 Cb -0.14 -2.97 0.60 0.00 -1.58 0.00 0.00 42.46 38.38 1a6x s ILE 155 CO 0.05 -0.22 1.82 1.21 -1.23 0.00 0.00 174.94 176.57