#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6x s GLU 71 N 0.00 0.25 -0.22 0.03 -1.05 -1.26 -5.08 118.70 111.36 1a6x s GLU 71 Ca 0.00 0.08 -0.02 0.00 -0.15 0.00 0.00 54.97 54.88 1a6x s GLU 71 Cb 0.00 0.12 0.01 0.00 -0.44 0.00 0.00 34.13 33.81 1a6x s GLU 71 CO 0.00 -0.07 0.04 0.00 0.95 0.00 0.00 175.26 176.17 1a6x n ALA 72 N 0.69 -3.14 -2.38 -0.84 0.00 -1.26 -4.84 120.51 108.74 1a6x n ALA 72 Ca -0.04 0.67 -0.43 0.00 0.00 0.00 0.00 53.44 53.64 1a6x n ALA 72 Cb 0.58 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.31 3.92 0.23 0.00 0.04 -1.26 -5.01 135.00 131.61 1a6x s PRO 73 Ca -0.04 1.33 0.05 0.00 0.04 0.00 0.00 61.00 62.38 1a6x s PRO 73 Cb 0.00 -3.89 -0.03 0.00 0.04 0.00 0.00 34.50 30.62 1a6x s PRO 73 CO 0.61 -1.12 0.28 0.00 0.04 0.00 0.00 177.00 176.81 1a6x s ALA 74 N 4.43 3.79 0.21 8.56 0.00 -1.26 -5.12 121.76 132.37 1a6x s ALA 74 Ca 0.58 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 51.32 1a6x s ALA 74 Cb -0.18 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 1a6x s ALA 74 CO 0.23 0.30 0.24 0.00 0.00 0.00 0.00 175.76 176.53 1a6x s ALA 75 N -1.99 3.74 -0.36 0.00 0.00 -1.26 -5.06 121.76 116.83 1a6x s ALA 75 Ca 0.33 -1.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 1a6x s ALA 75 Cb -0.09 -1.51 0.25 0.00 0.00 0.00 0.00 23.12 21.78 1a6x s ALA 75 CO 0.27 0.35 1.14 0.00 0.00 0.00 0.00 175.76 177.53 1a6x n ALA 76 N -0.95 -3.32 -3.16 0.00 0.00 -1.26 -5.11 120.51 106.71 1a6x n ALA 76 Ca -0.08 -0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.05 1a6x n ALA 76 Cb 0.56 -2.97 -0.02 0.00 0.00 0.00 0.00 19.45 17.02 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 0.42 0.07 0.51 0.00 2.56 -1.26 -5.08 118.70 115.91 1a6x s GLU 77 Ca 0.26 0.13 0.00 0.00 0.00 0.00 0.00 54.97 55.36 1a6x s GLU 77 Cb 0.18 0.07 0.00 0.00 2.00 0.00 0.00 34.13 36.38 1a6x s GLU 77 CO -0.11 -0.07 0.00 -0.89 -0.56 0.00 0.00 175.26 173.63 1a6x n ILE 78 N 5.39 -1.84 -3.29 -3.70 2.08 -1.26 -4.87 119.36 111.87 1a6x n ILE 78 Ca -0.09 1.07 -0.17 0.00 0.56 0.00 0.00 62.75 64.12 1a6x n ILE 78 Cb 0.55 -1.73 0.07 0.00 -0.75 0.00 0.00 39.64 37.77 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 -3.00 -4.07 0.00 4.38 3.41 -1.26 -4.86 113.62 108.22 1a6x n SER 79 Ca -0.03 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1a6x n SER 79 Cb 0.47 -4.21 0.00 0.00 -0.26 0.00 0.00 64.21 60.21 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 -1.47 3.24 3.18 5.00 0.00 -1.26 -5.02 105.19 108.86 1a6x n GLY 80 Ca -0.10 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 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 3.37 -0.33 1.61 0.09 0.13 -4.47 115.29 115.70 1a6x s HIS 81 Ca 0.00 -1.96 -0.17 0.00 -0.00 0.00 0.00 55.06 52.92 1a6x s HIS 81 Cb 0.00 -2.51 -0.01 0.00 -0.00 0.00 0.00 32.58 30.06 1a6x s HIS 81 CO 0.00 -0.85 0.48 0.42 -0.00 0.00 0.00 174.74 174.80 1a6x s ILE 82 N 1.24 5.06 -0.31 0.60 1.09 -1.26 -0.13 121.20 127.50 1a6x s ILE 82 Ca -0.00 0.42 -0.28 0.00 -1.10 0.00 0.00 60.65 59.69 1a6x s ILE 82 Cb -0.21 -3.90 0.01 0.00 -1.06 0.00 0.00 42.46 37.31 1a6x s ILE 82 CO -0.01 -0.11 1.00 -0.69 -0.10 0.00 0.00 174.94 175.02 1a6x s VAL 83 N 2.31 4.59 -0.24 2.92 1.01 -0.30 -4.94 120.40 125.75 1a6x s VAL 83 Ca 0.18 1.62 -0.08 0.00 0.00 0.00 0.00 61.98 63.70 1a6x s VAL 83 Cb -0.16 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 1a6x s VAL 83 CO 0.12 -0.40 0.08 -0.13 0.00 0.00 0.00 175.10 174.78 1a6x s ARG 84 N 3.44 3.78 -0.93 2.72 0.52 -1.26 0.18 118.95 127.40 1a6x s ARG 84 Ca 0.42 -0.42 -0.27 0.00 -0.52 0.00 0.00 55.73 54.93 1a6x s ARG 84 Cb -0.13 -3.34 -0.21 0.00 0.52 0.00 0.00 34.95 31.79 1a6x s ARG 84 CO 0.14 -0.06 2.48 -1.13 0.02 0.00 0.00 175.30 176.75 1a6x n SER 85 N 4.57 0.15 0.00 0.23 3.41 0.11 -4.67 113.62 117.42 1a6x n SER 85 Ca -0.16 0.12 0.12 0.00 -0.26 0.00 0.00 58.87 58.69 1a6x n SER 85 Cb 0.52 -0.83 0.69 0.00 -0.26 0.00 0.00 64.21 64.33 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 7.73 0.75 -3.25 4.33 -0.04 -1.26 -3.90 135.00 139.36 1a6x n PRO 86 Ca 0.62 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 64.09 1a6x n PRO 86 Cb 0.04 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 31.98 1a6x n PRO 86 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1a6x s MET 87 N -2.00 0.54 0.30 0.54 1.75 -1.26 -5.04 119.30 114.13 1a6x s MET 87 Ca 0.35 1.00 -0.29 0.00 -1.25 0.00 0.00 55.69 55.51 1a6x s MET 87 Cb 0.16 0.46 -0.13 0.00 2.84 0.00 0.00 34.83 38.16 1a6x s MET 87 CO 0.27 -0.56 1.22 0.28 -0.65 0.00 0.00 175.02 175.58 1a6x n VAL 88 N 5.42 1.77 0.00 10.11 0.31 -1.26 -4.66 118.33 130.03 1a6x n VAL 88 Ca -0.03 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 1a6x n VAL 88 Cb 0.51 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 1.19 -0.34 3.49 2.92 0.00 -0.50 -4.72 105.19 107.22 1a6x n GLY 89 Ca 0.08 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 1.52 -0.00 2.61 2.01 -0.30 -0.10 115.64 121.39 1a6x s THR 90 Ca 0.00 -2.03 0.01 0.00 0.31 0.00 0.00 61.69 59.98 1a6x s THR 90 Cb 0.00 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 69.73 1a6x s THR 90 CO 0.00 -0.07 -0.03 0.12 -0.69 0.00 0.00 174.62 173.96 1a6x s PHE 91 N -3.07 0.25 0.03 4.92 2.19 0.11 -0.64 117.98 121.77 1a6x s PHE 91 Ca 0.35 -0.05 0.02 0.00 0.33 0.00 0.00 56.93 57.58 1a6x s PHE 91 Cb 0.08 -0.16 -0.02 0.00 -1.31 0.00 0.00 43.02 41.61 1a6x s PHE 91 CO 0.15 -0.01 -0.08 0.71 1.83 0.00 0.00 175.22 177.83 1a6x s TYR 92 N -0.08 0.68 -0.66 10.12 2.02 0.78 0.45 117.35 130.65 1a6x s TYR 92 Ca 0.01 -0.37 0.23 0.00 -0.37 0.00 0.00 57.07 56.56 1a6x s TYR 92 Cb -0.01 -0.41 0.01 0.00 -0.40 0.00 0.00 41.96 41.15 1a6x s TYR 92 CO -0.00 -0.05 1.00 0.54 -1.57 0.00 0.00 175.55 175.47 1a6x n ARG 93 N 1.91 0.24 -4.24 -0.62 5.12 -1.26 -0.74 116.66 117.07 1a6x n ARG 93 Ca -0.20 -0.02 -0.16 0.00 -1.93 0.00 0.00 57.85 55.55 1a6x n ARG 93 Cb 0.56 -1.57 -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 -3.17 1.25 -0.05 0.55 -4.23 -1.26 -0.08 115.64 108.65 1a6x s THR 94 Ca 0.04 -1.83 -0.25 0.00 -1.18 0.00 0.00 61.69 58.47 1a6x s THR 94 Cb 0.15 -1.62 -0.23 0.00 1.34 0.00 0.00 72.50 72.14 1a6x s THR 94 CO 0.81 -0.54 1.05 1.55 -0.54 0.00 0.00 174.62 176.95 1a6x h PRO 95 N 3.26 0.14 -4.56 3.99 0.13 -1.89 -3.46 132.00 129.60 1a6x h PRO 95 Ca -0.38 -0.13 -0.39 0.00 -0.87 0.00 0.00 66.00 64.23 1a6x h PRO 95 Cb 1.20 0.03 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 1a6x h PRO 95 CO 0.55 0.85 -0.36 -1.12 -0.23 0.00 0.00 178.00 177.69 1a6x s SER 96 N -6.19 1.36 0.48 1.44 0.01 -1.26 -5.12 113.70 104.43 1a6x s SER 96 Ca -0.16 -1.65 -0.20 0.00 1.31 0.00 0.00 55.95 55.25 1a6x s SER 96 Cb 0.01 0.61 -0.09 0.00 0.21 0.00 0.00 66.02 66.76 1a6x s SER 96 CO 0.73 -1.17 1.04 -2.16 0.41 0.00 0.00 173.24 172.08 1a6x s PRO 97 N -3.25 3.81 0.00 12.44 0.04 -1.26 -2.93 135.00 143.85 1a6x s PRO 97 Ca 0.36 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1a6x s PRO 97 Cb 0.01 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1a6x s PRO 97 CO 0.25 -0.42 0.00 -0.25 0.04 0.00 0.00 177.00 176.61 1a6x n ASP 98 N -0.95 -2.76 -4.71 6.66 8.00 -1.26 -4.97 116.55 116.56 1a6x n ASP 98 Ca 0.09 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.24 1a6x n ASP 98 Cb 0.52 -1.49 -0.09 0.00 -0.02 0.00 0.00 41.12 40.04 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a6x s ALA 99 N -2.00 3.46 0.91 2.24 0.00 -1.15 -5.09 121.76 120.13 1a6x s ALA 99 Ca 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 1a6x s ALA 99 Cb 0.00 -1.74 0.15 0.00 0.00 0.00 0.00 23.12 21.52 1a6x s ALA 99 CO 0.00 0.45 0.33 0.36 0.00 0.00 0.00 175.76 176.90 1a6x n LYS 100 N 2.59 -1.48 -3.66 0.00 0.00 -1.26 -4.85 118.16 109.51 1a6x n LYS 100 Ca -0.18 -0.55 -0.36 0.00 -0.00 0.00 0.00 58.31 57.21 1a6x n LYS 100 Cb 0.53 -0.98 -0.07 0.00 -0.00 0.00 0.00 35.03 34.52 1a6x n LYS 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a6x s ALA 101 N -2.04 3.68 0.31 0.58 0.00 -1.26 -4.61 121.76 118.42 1a6x s ALA 101 Ca 0.25 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 51.74 1a6x s ALA 101 Cb -0.04 -2.24 0.81 0.00 0.00 0.00 0.00 23.12 21.65 1a6x s ALA 101 CO 0.21 0.24 1.73 0.74 0.00 0.00 0.00 175.76 178.68 1a6x h PHE 102 N 6.22 0.94 -3.12 0.00 0.04 -0.81 -3.24 116.94 116.97 1a6x h PHE 102 Ca -0.44 0.04 -0.61 0.00 2.80 0.00 0.00 57.97 59.75 1a6x h PHE 102 Cb 1.18 -0.27 -0.40 0.00 2.20 0.00 0.00 35.95 38.66 1a6x h PHE 102 CO 0.63 0.08 -0.73 -1.50 -0.60 0.00 0.00 178.31 176.19 1a6x s ILE 103 N -5.82 1.49 -0.35 -0.55 1.10 -1.26 -4.82 121.20 110.99 1a6x s ILE 103 Ca -0.11 -2.39 -0.29 0.00 -0.51 0.00 0.00 60.65 57.35 1a6x s ILE 103 Cb 0.26 -2.06 0.00 0.00 0.15 0.00 0.00 42.46 40.81 1a6x s ILE 103 CO 0.79 -0.82 1.42 -0.70 -2.11 0.00 0.00 174.94 173.52 1a6x s GLU 104 N 0.58 3.70 -0.49 3.50 2.12 -1.23 -4.89 118.70 121.99 1a6x s GLU 104 Ca 0.15 1.15 -0.46 0.00 0.36 0.00 0.00 54.97 56.18 1a6x s GLU 104 Cb -0.23 -3.99 -0.19 0.00 0.26 0.00 0.00 34.13 29.98 1a6x s GLU 104 CO -0.05 -1.40 1.80 0.28 -0.54 0.00 0.00 175.26 175.35 1a6x n VAL 105 N 6.72 0.01 0.00 3.70 0.31 -1.26 -0.40 118.33 127.41 1a6x n VAL 105 Ca 0.16 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1a6x n VAL 105 Cb 0.47 -0.53 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 5.26 1.25 3.64 2.92 0.00 -1.26 -5.11 105.19 111.88 1a6x n GLY 106 Ca 0.39 0.00 -0.25 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 -0.47 2.07 0.30 1.61 0.74 0.47 -5.01 119.66 119.37 1a6x s GLN 107 Ca 0.00 -1.81 0.08 0.00 0.05 0.00 0.00 55.36 53.68 1a6x s GLN 107 Cb 0.00 -1.89 -0.04 0.00 1.10 0.00 0.00 33.01 32.18 1a6x s GLN 107 CO 0.00 0.08 0.11 0.21 -0.55 0.00 0.00 175.29 175.14 1a6x s LYS 108 N -3.73 2.45 -0.03 1.67 2.36 -1.26 -2.99 119.74 118.21 1a6x s LYS 108 Ca 0.35 -1.41 -0.02 0.00 -2.55 0.00 0.00 55.97 52.35 1a6x s LYS 108 Cb 0.02 -2.25 0.02 0.00 -1.05 0.00 0.00 37.83 34.56 1a6x s LYS 108 CO 0.19 0.25 0.07 0.14 1.55 0.00 0.00 175.35 177.55 1a6x s VAL 109 N -2.34 -0.02 0.11 4.02 -7.23 -0.18 -5.01 120.40 109.75 1a6x s VAL 109 Ca 0.35 0.06 0.09 0.00 -1.81 0.00 0.00 61.98 60.67 1a6x s VAL 109 Cb -0.05 -0.12 -0.04 0.00 0.56 0.00 0.00 36.38 36.73 1a6x s VAL 109 CO 0.22 0.03 -0.20 0.21 -0.31 0.00 0.00 175.10 175.05 1a6x s ASN 110 N 0.38 3.76 -0.52 4.85 3.84 -1.26 -0.59 114.94 125.39 1a6x s ASN 110 Ca -0.03 -0.58 -0.43 0.00 0.21 0.00 0.00 52.86 52.03 1a6x s ASN 110 Cb -0.04 -0.49 -0.19 0.00 -0.55 0.00 0.00 41.25 39.98 1a6x s ASN 110 CO -0.01 0.19 2.17 0.55 -2.79 0.00 0.00 177.10 177.21 1a6x n VAL 111 N 0.94 0.00 0.00 -5.21 3.14 -1.26 0.38 118.33 116.32 1a6x n VAL 111 Ca -0.16 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1a6x n VAL 111 Cb 0.53 -0.53 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 1a6x n VAL 111 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1a6x n GLY 112 N 7.42 1.04 3.75 7.55 0.00 -1.22 -5.03 105.19 118.71 1a6x n GLY 112 Ca 0.55 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.75 7.56 1.06 1.61 1.01 0.16 -4.73 116.67 122.59 1a6x s ASP 113 Ca 0.00 1.96 -0.14 0.00 0.71 0.00 0.00 52.55 55.09 1a6x s ASP 113 Cb 0.00 -2.61 0.16 0.00 1.01 0.00 0.00 42.92 41.49 1a6x s ASP 113 CO 0.00 0.07 0.68 0.41 0.21 0.00 0.00 175.17 176.53 1a6x n THR 114 N 1.75 0.00 0.00 -1.27 -1.04 -1.26 -0.13 114.28 112.32 1a6x n THR 114 Ca -0.01 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1a6x n THR 114 Cb 0.47 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 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 -3.27 1.24 0.00 -4.42 -0.00 0.31 -4.40 117.00 106.46 1a6x n LEU 115 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1a6x n LEU 115 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1a6x n LEU 115 CO 0.53 0.14 0.00 0.00 -0.00 0.00 0.00 177.39 178.06 1a6x s ILE 117 N -1.94 0.11 -0.04 0.00 1.01 0.08 -0.35 121.20 120.07 1a6x s ILE 117 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1a6x s ILE 117 Cb 0.00 -0.65 0.03 0.00 0.01 0.00 0.00 42.46 41.84 1a6x s ILE 117 CO 0.00 -0.52 -0.02 -0.69 0.00 0.00 0.00 174.94 173.72 1a6x s VAL 118 N -2.04 0.34 -0.11 2.92 1.01 0.12 -0.15 120.40 122.49 1a6x s VAL 118 Ca -0.10 0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 1a6x s VAL 118 Cb -0.05 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1a6x s VAL 118 CO -0.02 0.19 0.63 -0.70 0.00 0.00 0.00 175.10 175.21 1a6x s GLU 119 N 1.15 4.37 0.02 2.72 2.12 0.18 -0.87 118.70 128.40 1a6x s GLU 119 Ca -0.08 0.72 -0.29 0.00 0.36 0.00 0.00 54.97 55.69 1a6x s GLU 119 Cb -0.14 -3.47 0.10 0.00 0.26 0.00 0.00 34.13 30.88 1a6x s GLU 119 CO -0.02 0.02 1.10 0.00 -0.54 0.00 0.00 175.26 175.83 1a6x s ALA 120 N 1.00 -1.94 -1.66 6.30 0.00 -0.54 -1.14 121.76 123.76 1a6x s ALA 120 Ca 0.33 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.83 1a6x s ALA 120 Cb -0.17 0.41 0.10 0.00 0.00 0.00 0.00 23.12 23.47 1a6x s ALA 120 CO 0.14 -0.94 0.40 0.00 0.00 0.00 0.00 175.76 175.37 1a6x n MET 121 N -0.40 -1.68 -4.16 0.00 0.00 -1.26 0.29 117.12 109.91 1a6x n MET 121 Ca -0.06 0.21 -0.32 0.00 0.00 0.00 0.00 57.70 57.53 1a6x n MET 121 Cb 0.61 -4.38 -0.06 0.00 0.00 0.00 0.00 33.22 29.40 1a6x n MET 121 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1a6x n LYS 122 N -4.36 -1.45 -3.57 3.17 4.76 -1.26 -4.90 118.16 110.55 1a6x n LYS 122 Ca -0.11 0.18 -0.07 0.00 -2.87 0.00 0.00 58.31 55.44 1a6x n LYS 122 Cb 0.58 -3.69 -0.03 0.00 -1.84 0.00 0.00 35.03 30.04 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1a6x s MET 123 N -7.13 0.50 -0.06 1.97 -1.94 0.14 -5.15 119.30 107.63 1a6x s MET 123 Ca 0.09 -0.06 -0.20 0.00 -1.71 0.00 0.00 55.69 53.81 1a6x s MET 123 Cb -0.05 0.23 -0.04 0.00 2.01 0.00 0.00 34.83 36.98 1a6x s MET 123 CO 0.96 -0.19 0.58 -1.64 -0.01 0.00 0.00 175.02 174.72 1a6x s MET 124 N -1.99 4.35 -0.25 2.03 -1.94 -1.26 -1.47 119.30 118.77 1a6x s MET 124 Ca 0.05 0.67 0.01 0.00 -1.71 0.00 0.00 55.69 54.71 1a6x s MET 124 Cb -0.01 -3.40 0.06 0.00 2.01 0.00 0.00 34.83 33.49 1a6x s MET 124 CO -0.04 0.21 -0.05 -0.80 -0.01 0.00 0.00 175.02 174.33 1a6x s ASN 125 N 0.38 4.01 0.47 3.03 0.01 -0.05 -4.98 114.94 117.80 1a6x s ASN 125 Ca 0.31 -1.30 -0.20 0.00 -0.71 0.00 0.00 52.86 50.96 1a6x s ASN 125 Cb -0.17 -1.24 -0.09 0.00 0.41 0.00 0.00 41.25 40.15 1a6x s ASN 125 CO 0.15 -0.25 1.00 -1.58 -1.51 0.00 0.00 177.10 174.91 1a6x s GLN 126 N 1.33 3.97 -0.26 -0.60 0.74 -1.26 0.16 119.66 123.74 1a6x s GLN 126 Ca -0.04 1.24 -0.06 0.00 0.05 0.00 0.00 55.36 56.56 1a6x s GLN 126 Cb -0.19 -2.13 -0.00 0.00 1.10 0.00 0.00 33.01 31.79 1a6x s GLN 126 CO -0.07 -0.27 0.03 0.42 -0.55 0.00 0.00 175.29 174.85 1a6x s ILE 127 N -2.10 3.78 -0.21 -2.34 1.01 0.52 -4.89 121.20 116.97 1a6x s ILE 127 Ca 0.65 -0.57 -0.16 0.00 0.00 0.00 0.00 60.65 60.57 1a6x s ILE 127 Cb -0.13 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1a6x s ILE 127 CO 0.18 0.23 0.41 -0.70 0.00 0.00 0.00 174.94 175.06 1a6x s GLU 128 N 1.50 4.16 0.16 2.79 2.12 -1.26 0.11 118.70 128.28 1a6x s GLU 128 Ca 0.04 0.21 -0.31 0.00 0.36 0.00 0.00 54.97 55.27 1a6x s GLU 128 Cb -0.16 -3.55 -0.17 0.00 0.26 0.00 0.00 34.13 30.51 1a6x s GLU 128 CO 0.01 -0.08 0.76 0.00 -0.54 0.00 0.00 175.26 175.41 1a6x n ALA 129 N 4.61 -2.56 -0.99 6.30 0.00 0.81 -4.86 120.51 123.82 1a6x n ALA 129 Ca -0.08 0.47 0.04 0.00 0.00 0.00 0.00 53.44 53.88 1a6x n ALA 129 Cb 0.51 -1.73 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 -0.25 0.00 0.00 0.00 177.50 177.25 1a6x n ASP 130 N 1.82 1.49 -2.85 0.00 9.92 -1.26 -3.38 116.55 122.28 1a6x n ASP 130 Ca 0.17 -2.33 -0.01 0.00 -0.53 0.00 0.00 54.79 52.09 1a6x n ASP 130 Cb 0.22 -0.22 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1a6x s LYS 131 N -1.46 0.53 0.06 -1.24 2.20 -1.26 -5.01 119.74 113.55 1a6x s LYS 131 Ca 0.13 -0.35 -0.35 0.00 -0.36 0.00 0.00 55.97 55.04 1a6x s LYS 131 Cb 0.12 0.02 -0.18 0.00 -1.51 0.00 0.00 37.83 36.27 1a6x s LYS 131 CO 0.01 -0.70 0.87 0.43 -0.36 0.00 0.00 175.35 175.60 1a6x n SER 132 N 3.45 -0.36 -1.88 1.43 7.64 -1.26 -4.89 113.62 117.75 1a6x n SER 132 Ca 0.11 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1a6x n SER 132 Cb 0.61 -0.89 0.01 0.00 -1.01 0.00 0.00 64.21 62.92 1a6x n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6x n GLY 133 N 1.58 0.70 3.52 0.23 0.00 0.24 -4.95 105.19 106.51 1a6x n GLY 133 Ca 0.19 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.21 2.88 0.98 2.61 2.01 -0.05 -1.01 115.64 120.85 1a6x s THR 134 Ca 0.09 -1.87 -0.15 0.00 0.31 0.00 0.00 61.69 60.08 1a6x s THR 134 Cb -0.00 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1a6x s THR 134 CO 0.00 -0.16 -0.06 0.55 -0.69 0.00 0.00 174.62 174.26 1a6x n VAL 135 N -0.02 0.00 0.00 3.82 3.14 -1.16 0.14 118.33 124.25 1a6x n VAL 135 Ca -0.10 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 1a6x n VAL 135 Cb 0.56 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 32.95 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 -0.20 0.00 0.00 1.45 4.81 -0.32 -4.06 118.16 119.84 1a6x n LYS 136 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1a6x n LYS 136 Cb 0.55 -0.08 0.00 0.00 0.02 0.00 0.00 35.03 35.53 1a6x n LYS 136 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a6x n ALA 137 N -2.29 0.00 -2.95 3.14 0.00 0.12 -4.97 120.51 113.56 1a6x n ALA 137 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1a6x n ALA 137 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.31 4.50 -0.12 0.00 1.09 -1.26 0.18 121.20 125.29 1a6x s ILE 138 Ca 0.00 -0.25 -0.16 0.00 -1.10 0.00 0.00 60.65 59.14 1a6x s ILE 138 Cb 0.00 -3.19 -0.26 0.00 -1.06 0.00 0.00 42.46 37.95 1a6x s ILE 138 CO 0.00 0.22 0.51 -0.07 -0.10 0.00 0.00 174.94 175.50 1a6x h LEU 139 N 8.29 0.33-10.10 2.97 3.38 -1.54 -3.47 115.31 115.17 1a6x h LEU 139 Ca -0.35 -0.83 -0.46 0.00 0.09 0.00 0.00 57.88 56.33 1a6x h LEU 139 Cb 1.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1a6x h LEU 139 CO 0.59 1.60 0.29 0.54 0.09 0.00 0.00 178.44 181.55 1a6x s VAL 140 N -2.46 4.52 0.48 1.22 0.11 -0.47 -5.06 120.40 118.74 1a6x s VAL 140 Ca -0.21 1.24 0.07 0.00 -2.93 0.00 0.00 61.98 60.15 1a6x s VAL 140 Cb 0.04 -3.65 0.01 0.00 -1.53 0.00 0.00 36.38 31.25 1a6x s VAL 140 CO 0.74 -0.43 0.41 -0.70 -3.33 0.00 0.00 175.10 171.80 1a6x s GLU 141 N -3.48 2.38 -0.94 1.54 -6.30 -1.26 -4.95 118.70 105.69 1a6x s GLU 141 Ca 0.59 -1.76 -0.24 0.00 -2.50 0.00 0.00 54.97 51.06 1a6x s GLU 141 Cb -0.10 -2.26 0.04 0.00 0.00 0.00 0.00 34.13 31.81 1a6x s GLU 141 CO 0.21 -0.42 1.45 0.45 0.02 0.00 0.00 175.26 176.97 1a6x s SER 142 N -4.22 6.31 0.00 -1.70 0.15 -1.26 -2.66 113.70 110.31 1a6x s SER 142 Ca 0.43 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1a6x s SER 142 Cb -0.02 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1a6x s SER 142 CO 0.26 -1.68 0.00 0.61 1.20 0.00 0.00 173.24 173.62 1a6x n GLY 143 N 6.51 1.70 3.74 9.45 0.00 0.17 -4.88 105.19 121.89 1a6x n GLY 143 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 1a6x n GLY 143 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a6x s GLN 144 N 0.00 2.67 0.91 1.61 2.00 -1.09 -4.56 119.66 121.21 1a6x s GLN 144 Ca 0.00 1.97 -0.12 0.00 -2.00 0.00 0.00 55.36 55.21 1a6x s GLN 144 Cb 0.00 -1.87 0.14 0.00 0.80 0.00 0.00 33.01 32.08 1a6x s GLN 144 CO 0.00 -1.48 1.14 -1.25 -0.50 0.00 0.00 175.29 173.20 1a6x s PRO 145 N -3.39 1.11 0.08 1.67 0.04 -1.26 -0.71 135.00 132.54 1a6x s PRO 145 Ca 0.81 0.28 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 1a6x s PRO 145 Cb -0.35 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1a6x s PRO 145 CO 0.38 -2.22 0.26 0.14 0.04 0.00 0.00 177.00 175.60 1a6x s VAL 146 N -3.28 0.11 0.07 -0.36 -7.23 0.86 -4.67 120.40 105.90 1a6x s VAL 146 Ca 0.64 -0.90 -0.01 0.00 -1.81 0.00 0.00 61.98 59.90 1a6x s VAL 146 Cb -0.15 -1.15 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 1a6x s VAL 146 CO 0.53 -0.50 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.19 1a6x s GLU 147 N -3.36 0.69 0.25 4.82 2.02 -1.26 -1.41 118.70 120.45 1a6x s GLU 147 Ca 0.01 -1.27 -0.30 0.00 0.02 0.00 0.00 54.97 53.42 1a6x s GLU 147 Cb 0.02 0.16 -0.11 0.00 0.10 0.00 0.00 34.13 34.31 1a6x s GLU 147 CO -0.08 -0.12 1.53 0.12 0.02 0.00 0.00 175.26 176.72 1a6x s PHE 148 N -3.90 2.93 0.00 1.61 2.19 -1.26 -1.04 117.98 118.50 1a6x s PHE 148 Ca 0.11 0.84 0.00 0.00 0.33 0.00 0.00 56.93 58.20 1a6x s PHE 148 Cb 0.08 -3.94 0.00 0.00 -1.31 0.00 0.00 43.02 37.84 1a6x s PHE 148 CO -0.07 -3.21 0.00 -0.40 1.83 0.00 0.00 175.22 173.37 1a6x n ASP 149 N 2.64 0.00 -4.81 6.13 5.75 -1.25 -5.01 116.55 120.00 1a6x n ASP 149 Ca 0.09 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.50 1a6x n ASP 149 Cb 0.39 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.42 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1a6x s GLU 150 N -0.18 4.31 0.66 0.11 -6.30 -0.21 -4.91 118.70 112.18 1a6x s GLU 150 Ca 0.00 0.90 -0.12 0.00 -2.50 0.00 0.00 54.97 53.25 1a6x s GLU 150 Cb 0.00 -3.04 -0.01 0.00 0.00 0.00 0.00 34.13 31.08 1a6x s GLU 150 CO 0.00 0.49 1.06 -1.25 0.02 0.00 0.00 175.26 175.57 1a6x s PRO 151 N -1.62 3.09 0.00 4.30 0.04 -1.26 0.09 135.00 139.65 1a6x s PRO 151 Ca 0.38 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1a6x s PRO 151 Cb -0.19 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1a6x s PRO 151 CO 0.22 -0.98 0.00 1.28 0.04 0.00 0.00 177.00 177.56 1a6x n LEU 152 N -2.74 0.00 -4.15 -3.56 4.77 0.49 -4.64 117.00 107.17 1a6x n LEU 152 Ca 0.08 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.81 1a6x n LEU 152 Cb 0.53 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.47 1a6x n LEU 152 CO 0.53 0.00 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.40 1a6x s VAL 153 N 0.00 1.36 -0.23 4.08 1.01 -1.23 -1.23 120.40 124.16 1a6x s VAL 153 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 1a6x s VAL 153 Cb 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1a6x s VAL 153 CO 0.00 0.39 0.22 -0.69 0.00 0.00 0.00 175.10 175.01 1a6x s VAL 154 N -0.30 5.32 0.32 2.92 1.01 0.49 -1.15 120.40 129.01 1a6x s VAL 154 Ca 0.04 0.31 0.09 0.00 0.00 0.00 0.00 61.98 62.43 1a6x s VAL 154 Cb -0.08 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1a6x s VAL 154 CO -0.00 0.33 -0.00 -0.63 0.00 0.00 0.00 175.10 174.79 1a6x s ILE 155 N 1.09 2.75 0.00 2.22 1.09 0.82 -0.70 121.20 128.47 1a6x s ILE 155 Ca 0.10 -1.99 0.00 0.00 -1.10 0.00 0.00 60.65 57.67 1a6x s ILE 155 Cb -0.14 -2.77 0.00 0.00 -1.06 0.00 0.00 42.46 38.49 1a6x s ILE 155 CO 0.05 -0.24 0.16 1.21 -0.10 0.00 0.00 174.94 176.02