#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 0.52 -3.60 3.17 0.00 -1.26 -5.10 120.64 114.37 1a6x n GLU 71 Ca 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 57.16 57.38 1a6x n GLU 71 Cb 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 31.44 29.95 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a6x s ALA 72 N -2.85 -2.09 1.13 4.31 0.00 -1.26 -5.18 121.76 115.81 1a6x s ALA 72 Ca -0.28 1.66 -0.19 0.00 0.00 0.00 0.00 51.96 53.16 1a6x s ALA 72 Cb 0.04 -0.23 0.27 0.00 0.00 0.00 0.00 23.12 23.20 1a6x s ALA 72 CO 0.41 -0.57 1.24 -0.35 0.00 0.00 0.00 175.76 176.49 1a6x n PRO 73 N -0.04 -2.25 -2.79 0.00 -0.04 -1.26 -5.06 135.00 123.56 1a6x n PRO 73 Ca 0.01 -1.94 -0.10 0.00 -0.04 0.00 0.00 63.50 61.43 1a6x n PRO 73 Cb 0.58 -1.53 0.06 0.00 -0.04 0.00 0.00 33.50 32.57 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 -4.39 -0.61 -3.67 0.55 0.00 -1.26 -5.06 120.51 106.07 1a6x n ALA 74 Ca -0.21 -1.69 -0.29 0.00 0.00 0.00 0.00 53.44 51.25 1a6x n ALA 74 Cb 0.59 -1.18 -0.13 0.00 0.00 0.00 0.00 19.45 18.74 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 0.11 1.97 0.42 0.00 0.00 -1.26 -5.08 121.76 117.92 1a6x s ALA 75 Ca 0.27 -2.50 0.00 0.00 0.00 0.00 0.00 51.96 49.73 1a6x s ALA 75 Cb 0.27 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.55 1a6x s ALA 75 CO -0.11 -2.07 0.00 0.00 0.00 0.00 0.00 175.76 173.58 1a6x n ALA 76 N 3.58 -3.23 -2.74 0.00 0.00 -1.26 -4.99 120.51 111.87 1a6x n ALA 76 Ca 0.10 0.60 0.02 0.00 0.00 0.00 0.00 53.44 54.16 1a6x n ALA 76 Cb 0.35 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.57 1a6x n ALA 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1a6x s GLU 77 N -3.06 0.08 0.00 0.00 2.12 -1.26 -5.00 118.70 111.57 1a6x s GLU 77 Ca 0.00 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.31 1a6x s GLU 77 Cb 0.00 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.40 1a6x s GLU 77 CO 0.00 -0.11 0.00 -0.89 -0.54 0.00 0.00 175.26 173.72 1a6x n ILE 78 N 3.72 0.00 -1.61 -3.70 5.41 -1.26 -4.60 119.36 117.31 1a6x n ILE 78 Ca 0.05 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.70 1a6x n ILE 78 Cb 0.64 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.53 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1a6x n SER 79 N 1.81 -2.95 -4.56 4.38 7.64 -1.26 -4.14 113.62 114.55 1a6x n SER 79 Ca 0.00 0.25 -0.17 0.00 1.01 0.00 0.00 58.87 59.96 1a6x n SER 79 Cb 0.00 -2.76 -0.06 0.00 -1.01 0.00 0.00 64.21 60.37 1a6x n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6x n GLY 80 N -0.35 -0.10 3.66 0.23 0.00 -1.25 -2.78 105.19 104.61 1a6x n GLY 80 Ca -0.11 0.38 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 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 14.40 2.70 -0.14 1.61 0.09 0.13 -4.93 115.29 129.16 1a6x s HIS 81 Ca 0.94 -0.26 -0.01 0.00 -0.00 0.00 0.00 55.06 55.73 1a6x s HIS 81 Cb -0.14 -1.29 0.04 0.00 -0.00 0.00 0.00 32.58 31.19 1a6x s HIS 81 CO 0.11 0.56 -0.02 0.42 -0.00 0.00 0.00 174.74 175.82 1a6x s ILE 82 N -2.35 0.77 -0.25 0.60 1.09 -1.26 0.02 121.20 119.81 1a6x s ILE 82 Ca 0.33 -0.36 -0.29 0.00 -1.10 0.00 0.00 60.65 59.22 1a6x s ILE 82 Cb -0.05 -0.99 0.00 0.00 -1.06 0.00 0.00 42.46 40.36 1a6x s ILE 82 CO 0.20 0.12 1.16 -0.69 -0.10 0.00 0.00 174.94 175.64 1a6x s VAL 83 N 1.78 4.41 -0.26 2.92 1.01 -0.09 -4.95 120.40 125.23 1a6x s VAL 83 Ca 0.02 1.66 -0.08 0.00 0.00 0.00 0.00 61.98 63.59 1a6x s VAL 83 Cb -0.14 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1a6x s VAL 83 CO -0.07 -0.32 0.08 -0.13 0.00 0.00 0.00 175.10 174.66 1a6x s ARG 84 N 3.62 3.61 -0.70 2.72 0.52 -1.26 0.13 118.95 127.59 1a6x s ARG 84 Ca 0.50 -0.51 -0.33 0.00 -0.52 0.00 0.00 55.73 54.86 1a6x s ARG 84 Cb -0.16 -3.36 -0.17 0.00 0.52 0.00 0.00 34.95 31.77 1a6x s ARG 84 CO 0.15 -0.22 2.45 0.45 0.02 0.00 0.00 175.30 178.15 1a6x n SER 85 N 4.93 1.06 0.00 0.23 2.88 0.14 -4.71 113.62 118.15 1a6x n SER 85 Ca -0.16 0.20 0.11 0.00 -1.33 0.00 0.00 58.87 57.70 1a6x n SER 85 Cb 0.51 -1.09 0.68 0.00 -0.75 0.00 0.00 64.21 63.56 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 -3.64 -1.46 -0.04 -1.26 -2.99 135.00 134.70 1a6x n PRO 86 Ca 0.54 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.86 1a6x n PRO 86 Cb 0.14 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.05 1a6x n PRO 86 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a6x s MET 87 N -2.00 0.80 0.19 0.54 0.23 -1.26 -4.99 119.30 112.82 1a6x s MET 87 Ca 0.34 0.57 -0.29 0.00 -1.03 0.00 0.00 55.69 55.29 1a6x s MET 87 Cb 0.16 0.38 -0.08 0.00 -1.53 0.00 0.00 34.83 33.76 1a6x s MET 87 CO 0.27 -0.16 0.89 0.08 -2.03 0.00 0.00 175.02 174.07 1a6x s VAL 88 N -0.28 4.24 0.00 5.16 1.01 -1.26 -4.50 120.40 124.77 1a6x s VAL 88 Ca -0.05 1.97 0.00 0.00 0.00 0.00 0.00 61.98 63.90 1a6x s VAL 88 Cb -0.03 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1a6x s VAL 88 CO 0.04 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1a6x n GLY 89 N 1.67 -0.46 3.42 4.51 0.00 -0.51 -4.74 105.19 109.08 1a6x n GLY 89 Ca -0.02 0.06 -0.21 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 1.33 -0.01 2.61 2.01 -0.28 -0.12 115.64 121.17 1a6x s THR 90 Ca 0.00 -2.05 0.01 0.00 0.31 0.00 0.00 61.69 59.96 1a6x s THR 90 Cb 0.00 -2.60 0.01 0.00 0.01 0.00 0.00 72.50 69.92 1a6x s THR 90 CO 0.00 -0.16 -0.01 0.12 -0.69 0.00 0.00 174.62 173.88 1a6x s PHE 91 N -3.21 0.25 0.16 4.92 2.19 -0.05 -0.64 117.98 121.60 1a6x s PHE 91 Ca 0.33 -0.02 0.06 0.00 0.33 0.00 0.00 56.93 57.63 1a6x s PHE 91 Cb 0.07 -0.25 -0.04 0.00 -1.31 0.00 0.00 43.02 41.48 1a6x s PHE 91 CO 0.13 -0.06 -0.13 0.71 1.83 0.00 0.00 175.22 177.70 1a6x s TYR 92 N 0.43 1.46 -0.06 10.12 2.02 0.63 0.14 117.35 132.07 1a6x s TYR 92 Ca -0.04 -0.63 0.07 0.00 -0.37 0.00 0.00 57.07 56.10 1a6x s TYR 92 Cb -0.07 -0.72 -0.11 0.00 -0.40 0.00 0.00 41.96 40.67 1a6x s TYR 92 CO -0.01 0.19 0.18 0.54 -1.57 0.00 0.00 175.55 174.89 1a6x n ARG 93 N -0.03 0.96 -4.10 -0.62 1.74 -1.26 -1.27 116.66 112.08 1a6x n ARG 93 Ca -0.11 -0.05 -0.11 0.00 -0.77 0.00 0.00 57.85 56.80 1a6x n ARG 93 Cb 0.59 -1.11 -0.11 0.00 -1.02 0.00 0.00 32.46 30.81 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 -2.36 0.53 -0.41 0.55 -4.23 -1.26 -1.49 115.64 106.97 1a6x s THR 94 Ca -0.02 -1.49 0.26 0.00 -1.18 0.00 0.00 61.69 59.27 1a6x s THR 94 Cb 0.05 -1.11 0.31 0.00 1.34 0.00 0.00 72.50 73.09 1a6x s THR 94 CO 0.30 -0.66 1.77 1.55 -0.54 0.00 0.00 174.62 177.04 1a6x h PRO 95 N 3.75 0.00 -3.22 3.99 0.13 -1.90 -3.47 132.00 131.28 1a6x h PRO 95 Ca -0.35 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.71 1a6x h PRO 95 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1a6x h PRO 95 CO 0.53 0.00 0.18 0.45 -0.23 0.00 0.00 178.00 178.93 1a6x s SER 96 N -5.07 0.19 0.02 1.44 0.15 -1.26 -5.00 113.70 104.16 1a6x s SER 96 Ca 0.06 -1.21 -0.19 0.00 0.70 0.00 0.00 55.95 55.31 1a6x s SER 96 Cb 0.09 0.82 -0.22 0.00 -1.71 0.00 0.00 66.02 65.00 1a6x s SER 96 CO 0.54 -1.62 1.15 1.55 1.20 0.00 0.00 173.24 176.07 1a6x h PRO 97 N 2.02 0.46 -0.78 5.44 0.13 -1.97 -3.22 132.00 134.09 1a6x h PRO 97 Ca -0.31 -0.45 -0.34 0.00 -0.87 0.00 0.00 66.00 64.02 1a6x h PRO 97 Cb 1.25 0.12 -0.20 0.00 0.13 0.00 0.00 31.00 32.29 1a6x h PRO 97 CO 0.40 1.10 0.38 -0.25 -0.23 0.00 0.00 178.00 179.40 1a6x n ASP 98 N -4.20 3.94 -4.89 1.44 10.43 -1.26 -4.95 116.55 117.05 1a6x n ASP 98 Ca -0.10 -3.48 -0.21 0.00 2.57 0.00 0.00 54.79 53.58 1a6x n ASP 98 Cb 0.66 -0.76 -0.03 0.00 1.84 0.00 0.00 41.12 42.83 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1a6x s ALA 99 N -3.17 3.94 1.04 2.24 0.00 -1.22 -5.10 121.76 119.49 1a6x s ALA 99 Ca 0.54 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.82 1a6x s ALA 99 Cb 0.45 -1.35 0.21 0.00 0.00 0.00 0.00 23.12 22.43 1a6x s ALA 99 CO 0.10 0.03 1.07 0.15 0.00 0.00 0.00 175.76 177.11 1a6x s LYS 100 N -4.03 0.07 -0.11 0.00 -0.14 -1.26 -4.80 119.74 109.47 1a6x s LYS 100 Ca 0.41 0.84 -0.03 0.00 -1.36 0.00 0.00 55.97 55.83 1a6x s LYS 100 Cb -0.07 -1.67 -0.03 0.00 -1.68 0.00 0.00 37.83 34.38 1a6x s LYS 100 CO 0.28 -3.06 -0.00 0.00 -0.76 0.00 0.00 175.35 171.81 1a6x s ALA 101 N -2.70 3.24 0.27 5.17 0.00 -1.26 -4.18 121.76 122.29 1a6x s ALA 101 Ca 0.66 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.80 1a6x s ALA 101 Cb -0.22 -1.54 0.36 0.00 0.00 0.00 0.00 23.12 21.73 1a6x s ALA 101 CO 0.61 0.46 1.81 0.74 0.00 0.00 0.00 175.76 179.38 1a6x h PHE 102 N 5.66 0.89 -2.14 0.00 0.04 -1.59 -3.33 116.94 116.47 1a6x h PHE 102 Ca -0.45 -0.09 -0.57 0.00 2.80 0.00 0.00 57.97 59.66 1a6x h PHE 102 Cb 1.19 -0.26 -0.39 0.00 2.20 0.00 0.00 35.95 38.69 1a6x h PHE 102 CO 0.60 0.75 -1.05 1.51 -0.60 0.00 0.00 178.31 179.52 1a6x n ILE 103 N -4.27 -0.80 -1.91 -0.55 0.13 -1.26 -4.77 119.36 105.93 1a6x n ILE 103 Ca 0.04 -3.84 -0.42 0.00 -1.10 0.00 0.00 62.75 57.43 1a6x n ILE 103 Cb 0.23 -1.86 -0.03 0.00 -0.84 0.00 0.00 39.64 37.15 1a6x n ILE 103 CO 0.00 0.00 0.00 -1.83 2.80 0.00 0.00 176.55 177.52 1a6x s GLU 104 N -0.79 4.19 -0.50 9.51 -1.05 -1.25 -4.82 118.70 123.99 1a6x s GLU 104 Ca 0.34 2.34 -0.46 0.00 -0.15 0.00 0.00 54.97 57.05 1a6x s GLU 104 Cb 0.12 -3.74 -0.19 0.00 -0.44 0.00 0.00 34.13 29.87 1a6x s GLU 104 CO -0.14 -0.79 1.80 0.28 0.95 0.00 0.00 175.26 177.37 1a6x n VAL 105 N 4.98 0.01 0.00 1.83 0.31 -1.26 -0.09 118.33 124.11 1a6x n VAL 105 Ca 0.17 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1a6x n VAL 105 Cb 0.41 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 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 5.30 1.18 3.67 2.92 0.00 -1.26 -5.11 105.19 111.89 1a6x n GLY 106 Ca 0.40 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.46 2.20 0.42 1.61 0.74 0.88 -5.00 119.66 120.05 1a6x s GLN 107 Ca 0.00 -1.64 0.07 0.00 0.05 0.00 0.00 55.36 53.83 1a6x s GLN 107 Cb 0.00 -2.04 -0.06 0.00 1.10 0.00 0.00 33.01 32.01 1a6x s GLN 107 CO 0.00 0.15 0.09 0.15 -0.55 0.00 0.00 175.29 175.13 1a6x s LYS 108 N -3.76 2.09 -0.13 1.67 1.02 -1.26 -2.94 119.74 116.43 1a6x s LYS 108 Ca 0.35 -2.01 -0.12 0.00 0.02 0.00 0.00 55.97 54.21 1a6x s LYS 108 Cb -0.02 -1.79 0.03 0.00 -0.52 0.00 0.00 37.83 35.54 1a6x s LYS 108 CO 0.21 -0.11 0.34 0.14 -0.92 0.00 0.00 175.35 175.01 1a6x s VAL 109 N -2.67 -0.00 0.15 3.17 -7.23 -0.06 -5.00 120.40 108.76 1a6x s VAL 109 Ca 0.36 0.00 0.11 0.00 -1.81 0.00 0.00 61.98 60.64 1a6x s VAL 109 Cb 0.07 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 1a6x s VAL 109 CO 0.19 0.00 -0.25 0.21 -0.31 0.00 0.00 175.10 174.94 1a6x s ASN 110 N 0.20 3.40 -0.54 4.85 2.47 -1.26 -0.61 114.94 123.44 1a6x s ASN 110 Ca -0.00 -0.76 -0.43 0.00 0.42 0.00 0.00 52.86 52.09 1a6x s ASN 110 Cb -0.02 -0.26 -0.19 0.00 -1.45 0.00 0.00 41.25 39.33 1a6x s ASN 110 CO 0.00 0.16 2.19 0.52 -3.72 0.00 0.00 177.10 176.26 1a6x n VAL 111 N 0.73 0.01 0.00 -5.21 0.31 -1.26 0.10 118.33 113.01 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 0.54 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 7.38 1.71 3.79 2.92 0.00 -1.26 -5.04 105.19 114.69 1a6x n GLY 112 Ca 0.56 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.82 6.88 1.04 1.61 1.01 0.28 -4.85 116.67 120.82 1a6x s ASP 113 Ca 0.00 1.04 -0.17 0.00 0.71 0.00 0.00 52.55 54.14 1a6x s ASP 113 Cb 0.00 -2.31 0.11 0.00 1.01 0.00 0.00 42.92 41.73 1a6x s ASP 113 CO 0.00 0.20 -0.01 0.41 0.21 0.00 0.00 175.17 175.98 1a6x n THR 114 N 2.39 0.00 0.00 -1.27 -1.04 -1.26 -0.80 114.28 112.30 1a6x n THR 114 Ca -0.10 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1a6x n THR 114 Cb 0.51 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1a6x n THR 114 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1a6x n LEU 115 N -0.84 0.12 0.00 -4.42 7.94 0.28 -4.16 117.00 115.92 1a6x n LEU 115 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1a6x n LEU 115 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 1a6x n LEU 115 CO 0.36 -0.26 0.00 0.00 -1.11 0.00 0.00 177.39 176.38 1a6x s ILE 117 N -2.08 0.62 -0.04 0.00 1.01 -0.40 0.22 121.20 120.54 1a6x s ILE 117 Ca 0.00 -1.63 -0.01 0.00 0.00 0.00 0.00 60.65 59.01 1a6x s ILE 117 Cb 0.00 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.20 1a6x s ILE 117 CO 0.00 -0.71 0.08 -0.69 0.00 0.00 0.00 174.94 173.62 1a6x s VAL 118 N -2.84 -0.05 -0.09 2.92 1.01 0.10 -0.27 120.40 121.19 1a6x s VAL 118 Ca 0.04 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.02 1a6x s VAL 118 Cb -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.19 1a6x s VAL 118 CO -0.03 0.07 0.46 -0.70 0.00 0.00 0.00 175.10 174.89 1a6x s GLU 119 N 0.94 4.25 -0.09 2.72 2.12 0.19 -1.01 118.70 127.82 1a6x s GLU 119 Ca -0.08 0.43 -0.26 0.00 0.36 0.00 0.00 54.97 55.42 1a6x s GLU 119 Cb -0.10 -3.38 0.06 0.00 0.26 0.00 0.00 34.13 30.96 1a6x s GLU 119 CO -0.04 0.30 0.61 0.00 -0.54 0.00 0.00 175.26 175.59 1a6x s ALA 120 N 0.18 -1.57 -1.09 6.30 0.00 -0.15 -1.13 121.76 124.31 1a6x s ALA 120 Ca 0.25 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1a6x s ALA 120 Cb -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1a6x s ALA 120 CO 0.11 -0.34 0.00 -1.33 0.00 0.00 0.00 175.76 174.20 1a6x n MET 121 N 1.39 -2.12 -3.30 0.00 2.81 -1.26 0.21 117.12 114.85 1a6x n MET 121 Ca -0.18 0.61 -0.17 0.00 -1.81 0.00 0.00 57.70 56.15 1a6x n MET 121 Cb 0.56 -5.18 0.06 0.00 -0.71 0.00 0.00 33.22 27.96 1a6x n MET 121 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1a6x n LYS 122 N -2.70 -5.97 -3.83 0.03 5.02 -1.26 -5.01 118.16 104.44 1a6x n LYS 122 Ca -0.14 0.64 -0.09 0.00 -2.02 0.00 0.00 58.31 56.69 1a6x n LYS 122 Cb 0.59 -5.11 -0.07 0.00 -0.02 0.00 0.00 35.03 30.42 1a6x n LYS 122 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1a6x s MET 123 N -5.82 0.82 -0.22 1.97 1.75 0.13 -5.15 119.30 112.79 1a6x s MET 123 Ca 0.36 -0.84 -0.12 0.00 -1.25 0.00 0.00 55.69 53.84 1a6x s MET 123 Cb -0.16 0.34 -0.05 0.00 2.84 0.00 0.00 34.83 37.80 1a6x s MET 123 CO 0.56 -0.26 0.23 1.41 -0.65 0.00 0.00 175.02 176.31 1a6x s MET 124 N -3.49 4.13 -0.14 4.11 1.75 -1.26 -0.98 119.30 123.42 1a6x s MET 124 Ca 0.02 -0.11 0.01 0.00 -1.25 0.00 0.00 55.69 54.36 1a6x s MET 124 Cb 0.03 -3.51 0.02 0.00 2.84 0.00 0.00 34.83 34.21 1a6x s MET 124 CO -0.09 0.08 -0.15 -0.80 -0.65 0.00 0.00 175.02 173.41 1a6x s ASN 125 N 0.92 2.65 0.52 1.11 0.01 -0.18 -4.99 114.94 114.98 1a6x s ASN 125 Ca 0.11 -0.48 -0.17 0.00 -0.71 0.00 0.00 52.86 51.61 1a6x s ASN 125 Cb -0.13 -1.18 -0.07 0.00 0.41 0.00 0.00 41.25 40.28 1a6x s ASN 125 CO 0.05 -0.03 1.00 -1.10 -1.51 0.00 0.00 177.10 175.50 1a6x s GLN 126 N 1.33 3.84 -0.19 -0.60 -0.21 -1.26 0.03 119.66 122.60 1a6x s GLN 126 Ca 0.02 1.04 0.01 0.00 0.02 0.00 0.00 55.36 56.44 1a6x s GLN 126 Cb -0.13 -2.12 0.04 0.00 1.00 0.00 0.00 33.01 31.80 1a6x s GLN 126 CO -0.08 -0.36 -0.12 0.42 -2.12 0.00 0.00 175.29 173.02 1a6x s ILE 127 N -2.53 1.74 0.32 1.08 1.01 0.13 -4.87 121.20 118.08 1a6x s ILE 127 Ca 0.60 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 1a6x s ILE 127 Cb -0.11 -1.75 -0.07 0.00 0.01 0.00 0.00 42.46 40.54 1a6x s ILE 127 CO 0.30 0.25 0.65 -0.70 0.00 0.00 0.00 174.94 175.45 1a6x s GLU 128 N 1.37 3.78 0.80 2.79 -6.30 -1.26 0.10 118.70 119.98 1a6x s GLU 128 Ca 0.00 0.33 -0.13 0.00 -2.50 0.00 0.00 54.97 52.68 1a6x s GLU 128 Cb -0.15 -2.53 0.08 0.00 0.00 0.00 0.00 34.13 31.53 1a6x s GLU 128 CO -0.09 0.15 1.16 0.00 0.02 0.00 0.00 175.26 176.50 1a6x s ALA 129 N -2.09 1.93 -0.02 6.30 0.00 0.02 -4.72 121.76 123.17 1a6x s ALA 129 Ca 0.49 0.68 0.03 0.00 0.00 0.00 0.00 51.96 53.16 1a6x s ALA 129 Cb -0.11 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.64 1a6x s ALA 129 CO 0.26 -2.14 0.97 -3.47 0.00 0.00 0.00 175.76 171.38 1a6x n ASP 130 N -3.35 0.48 0.00 0.00 2.03 -1.26 -4.43 116.55 110.02 1a6x n ASP 130 Ca 0.12 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 53.34 1a6x n ASP 130 Cb 0.51 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 1a6x n ASP 130 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1a6x n LYS 131 N -0.27 0.00 -1.49 -0.67 4.81 -1.26 -5.06 118.16 114.21 1a6x n LYS 131 Ca 0.03 0.00 -0.54 0.00 -0.87 0.00 0.00 58.31 56.93 1a6x n LYS 131 Cb 0.65 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.64 1a6x n LYS 131 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1a6x n SER 132 N 0.00 0.01 -1.81 3.14 3.41 -1.26 -4.89 113.62 112.21 1a6x n SER 132 Ca 0.00 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 1a6x n SER 132 Cb 0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 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 1.77 0.70 1.56 5.00 0.00 0.22 -4.94 105.19 109.50 1a6x n GLY 133 Ca 0.19 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.26 0.00 -2.78 2.61 -1.04 0.49 -0.88 114.28 112.42 1a6x n THR 134 Ca 0.01 -0.90 -0.34 0.00 -2.04 0.00 0.00 64.05 60.78 1a6x n THR 134 Cb 0.18 -0.28 -0.06 0.00 -1.82 0.00 0.00 70.33 68.34 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 -1.15 4.28 0.00 12.58 0.11 -1.15 -0.56 120.40 134.51 1a6x s VAL 135 Ca 0.12 1.51 0.00 0.00 -2.93 0.00 0.00 61.98 60.68 1a6x s VAL 135 Cb -0.01 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 1a6x s VAL 135 CO 0.08 -0.22 0.00 1.17 -3.33 0.00 0.00 175.10 172.80 1a6x n LYS 136 N -0.42 0.00 0.00 1.54 0.00 0.56 -4.35 118.16 115.48 1a6x n LYS 136 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.37 1a6x n LYS 136 Cb 0.53 -0.36 0.00 0.00 0.00 0.00 0.00 35.03 35.20 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 -2.71 0.00 -2.50 3.14 0.00 0.01 -4.94 120.51 113.51 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 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.32 5.28 -0.08 0.00 1.09 -1.26 0.20 121.20 126.10 1a6x s ILE 138 Ca 0.00 -0.38 -0.20 0.00 -1.10 0.00 0.00 60.65 58.96 1a6x s ILE 138 Cb 0.00 -3.80 -0.29 0.00 -1.06 0.00 0.00 42.46 37.31 1a6x s ILE 138 CO 0.00 -0.12 0.75 -0.07 -0.10 0.00 0.00 174.94 175.39 1a6x h LEU 139 N 8.55 0.39 -9.77 2.97 3.38 -1.64 -3.45 115.31 115.73 1a6x h LEU 139 Ca -0.30 -0.91 -0.49 0.00 0.09 0.00 0.00 57.88 56.28 1a6x h LEU 139 Cb 1.14 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1a6x h LEU 139 CO 0.67 1.44 0.38 0.54 0.09 0.00 0.00 178.44 181.57 1a6x s VAL 140 N -2.43 3.91 0.20 1.22 0.11 -0.25 -5.04 120.40 118.12 1a6x s VAL 140 Ca -0.17 1.91 -0.06 0.00 -2.93 0.00 0.00 61.98 60.73 1a6x s VAL 140 Cb 0.02 -4.20 -0.06 0.00 -1.53 0.00 0.00 36.38 30.60 1a6x s VAL 140 CO 0.79 0.44 0.47 -1.61 -3.33 0.00 0.00 175.10 171.85 1a6x s GLU 141 N -1.31 3.68 -0.77 1.54 2.02 -1.26 -4.95 118.70 117.65 1a6x s GLU 141 Ca 0.43 0.05 -0.26 0.00 0.02 0.00 0.00 54.97 55.21 1a6x s GLU 141 Cb -0.27 -2.74 -0.09 0.00 0.10 0.00 0.00 34.13 31.13 1a6x s GLU 141 CO 0.34 0.37 2.22 -1.54 0.02 0.00 0.00 175.26 176.67 1a6x s SER 142 N -2.55 4.48 0.00 -0.19 1.04 -1.26 -0.06 113.70 115.15 1a6x s SER 142 Ca 0.44 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.87 1a6x s SER 142 Cb -0.11 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1a6x s SER 142 CO 0.24 -3.25 0.00 0.61 0.98 0.00 0.00 173.24 171.82 1a6x n GLY 143 N 6.61 1.33 3.81 7.32 0.00 0.12 -4.88 105.19 119.49 1a6x n GLY 143 Ca 0.41 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 1a6x n GLY 143 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a6x s GLN 144 N 0.00 3.76 0.70 1.61 -0.21 0.91 -4.71 119.66 121.72 1a6x s GLN 144 Ca 0.00 1.21 -0.11 0.00 0.02 0.00 0.00 55.36 56.49 1a6x s GLN 144 Cb 0.00 -2.10 0.01 0.00 1.00 0.00 0.00 33.01 31.92 1a6x s GLN 144 CO 0.00 -0.44 1.06 -1.25 -2.12 0.00 0.00 175.29 172.54 1a6x s PRO 145 N -3.59 2.89 0.04 2.91 0.04 -1.26 -0.87 135.00 135.17 1a6x s PRO 145 Ca 0.64 0.93 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 1a6x s PRO 145 Cb -0.14 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1a6x s PRO 145 CO 0.25 -1.12 -0.02 0.14 0.04 0.00 0.00 177.00 176.28 1a6x s VAL 146 N -3.05 0.20 0.12 -0.36 -7.23 0.82 -4.76 120.40 106.13 1a6x s VAL 146 Ca 0.58 -1.61 0.05 0.00 -1.81 0.00 0.00 61.98 59.19 1a6x s VAL 146 Cb -0.14 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 1a6x s VAL 146 CO 0.55 -0.89 -0.11 -1.61 -0.31 0.00 0.00 175.10 172.73 1a6x s GLU 147 N -3.42 0.95 0.25 4.82 0.41 -1.26 -1.42 118.70 119.03 1a6x s GLU 147 Ca 0.02 -1.24 -0.30 0.00 -0.41 0.00 0.00 54.97 53.04 1a6x s GLU 147 Cb 0.04 -0.68 -0.11 0.00 -1.78 0.00 0.00 34.13 31.60 1a6x s GLU 147 CO -0.08 0.11 1.54 0.12 -0.49 0.00 0.00 175.26 176.46 1a6x s PHE 148 N -2.49 2.91 0.00 1.61 2.19 -1.26 -1.04 117.98 119.90 1a6x s PHE 148 Ca 0.09 0.83 0.00 0.00 0.33 0.00 0.00 56.93 58.17 1a6x s PHE 148 Cb -0.03 -3.95 0.00 0.00 -1.31 0.00 0.00 43.02 37.73 1a6x s PHE 148 CO 0.01 -3.25 0.00 -3.47 1.83 0.00 0.00 175.22 170.34 1a6x n ASP 149 N 2.62 0.00 -4.86 6.13 -0.08 -1.16 -5.02 116.55 114.19 1a6x n ASP 149 Ca 0.09 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.04 1a6x n ASP 149 Cb 0.39 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.79 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 -0.18 3.91 0.61 -0.67 0.41 -0.21 -4.89 118.70 117.68 1a6x s GLU 150 Ca 0.00 0.43 -0.15 0.00 -0.41 0.00 0.00 54.97 54.85 1a6x s GLU 150 Cb 0.00 -2.71 -0.03 0.00 -1.78 0.00 0.00 34.13 29.61 1a6x s GLU 150 CO 0.00 0.34 1.05 -1.25 -0.49 0.00 0.00 175.26 174.91 1a6x s PRO 151 N -2.55 3.29 0.00 0.39 0.04 -1.26 0.25 135.00 135.16 1a6x s PRO 151 Ca 0.45 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1a6x s PRO 151 Cb -0.12 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1a6x s PRO 151 CO 0.20 -0.83 0.00 1.28 0.04 0.00 0.00 177.00 177.69 1a6x n LEU 152 N -2.25 0.00 -4.25 -3.56 4.77 0.34 -4.66 117.00 107.39 1a6x n LEU 152 Ca 0.08 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.84 1a6x n LEU 152 Cb 0.53 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.50 1a6x n LEU 152 CO 0.49 0.00 -0.49 -0.69 -1.33 0.00 0.00 177.39 175.37 1a6x s VAL 153 N 0.00 1.50 -0.23 4.08 1.01 -1.24 -1.09 120.40 124.43 1a6x s VAL 153 Ca 0.00 -1.47 -0.09 0.00 0.00 0.00 0.00 61.98 60.43 1a6x s VAL 153 Cb 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1a6x s VAL 153 CO 0.00 -0.12 0.11 -0.69 0.00 0.00 0.00 175.10 174.39 1a6x s VAL 154 N -1.22 4.82 0.32 2.92 1.01 0.53 -0.91 120.40 127.86 1a6x s VAL 154 Ca 0.04 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1a6x s VAL 154 Cb -0.10 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1a6x s VAL 154 CO 0.04 0.36 0.19 -0.63 0.00 0.00 0.00 175.10 175.06 1a6x s ILE 155 N 1.18 3.47 0.00 2.22 1.09 0.10 -0.33 121.20 128.93 1a6x s ILE 155 Ca 0.06 -1.55 0.00 0.00 -1.10 0.00 0.00 60.65 58.06 1a6x s ILE 155 Cb -0.14 -3.11 0.00 0.00 -1.06 0.00 0.00 42.46 38.15 1a6x s ILE 155 CO 0.04 -0.22 0.00 -1.84 -0.10 0.00 0.00 174.94 172.82