#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 0.00 -3.83 2.12 4.71 -1.26 -4.71 120.64 117.66 1a6x n GLU 71 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.86 1a6x n GLU 71 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.44 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a6x n ALA 72 N 0.00 -2.75 -1.67 0.62 0.00 -1.26 -4.89 120.51 110.57 1a6x n ALA 72 Ca 0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 53.44 52.78 1a6x n ALA 72 Cb 0.00 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.15 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 -5.52 3.32 1.19 0.00 0.04 -1.26 -5.05 135.00 127.72 1a6x s PRO 73 Ca 0.14 1.13 -0.20 0.00 0.04 0.00 0.00 61.00 62.11 1a6x s PRO 73 Cb -0.07 -2.04 0.30 0.00 0.04 0.00 0.00 34.50 32.73 1a6x s PRO 73 CO 0.91 -0.80 1.06 0.00 0.04 0.00 0.00 177.00 178.21 1a6x n ALA 74 N -2.17 -3.31 -3.10 8.56 0.00 -1.26 -5.02 120.51 114.21 1a6x n ALA 74 Ca 0.08 -1.58 -0.17 0.00 0.00 0.00 0.00 53.44 51.77 1a6x n ALA 74 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 1a6x n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x n ALA 75 N -4.81 2.19 0.00 0.00 0.00 -1.26 -4.99 120.51 111.64 1a6x n ALA 75 Ca -0.20 -3.34 0.00 0.00 0.00 0.00 0.00 53.44 49.90 1a6x n ALA 75 Cb 0.57 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1a6x n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x n ALA 76 N 0.23 0.00 -2.10 0.00 0.00 -1.26 -4.74 120.51 112.64 1a6x n ALA 76 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.47 1a6x n ALA 76 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1a6x n ALA 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1a6x s GLU 77 N 0.00 2.62 0.00 0.00 -1.05 -1.26 -5.05 118.70 113.96 1a6x s GLU 77 Ca 0.00 -1.44 0.00 0.00 -0.15 0.00 0.00 54.97 53.38 1a6x s GLU 77 Cb 0.00 -2.58 0.00 0.00 -0.44 0.00 0.00 34.13 31.11 1a6x s GLU 77 CO 0.00 -0.35 0.00 1.51 0.95 0.00 0.00 175.26 177.37 1a6x n ILE 78 N -1.81 0.00 -3.47 1.83 0.13 -1.26 -5.00 119.36 109.79 1a6x n ILE 78 Ca 0.07 0.00 -0.24 0.00 -1.10 0.00 0.00 62.75 61.48 1a6x n ILE 78 Cb 0.61 -1.01 0.01 0.00 -0.84 0.00 0.00 39.64 38.41 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 1a6x n SER 79 N -2.72 -5.92 -4.07 9.51 7.64 -1.26 -4.84 113.62 111.96 1a6x n SER 79 Ca 0.00 -0.37 -0.37 0.00 1.01 0.00 0.00 58.87 59.15 1a6x n SER 79 Cb 0.30 -2.70 0.06 0.00 -1.01 0.00 0.00 64.21 60.86 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 -1.00 -3.44 3.79 0.23 0.00 -1.25 -4.92 105.19 98.59 1a6x n GLY 80 Ca -0.14 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.06 1.99 -0.12 1.61 3.76 0.14 -4.87 115.29 115.74 1a6x s HIS 81 Ca 0.41 -0.83 -0.04 0.00 -0.15 0.00 0.00 55.06 54.46 1a6x s HIS 81 Cb -0.04 -1.78 0.05 0.00 1.11 0.00 0.00 32.58 31.93 1a6x s HIS 81 CO 0.72 0.04 0.13 0.42 -0.85 0.00 0.00 174.74 175.20 1a6x s ILE 82 N -2.78 -0.20 -0.32 0.60 -1.09 -1.26 -1.09 121.20 115.06 1a6x s ILE 82 Ca 0.23 0.16 -0.24 0.00 -2.23 0.00 0.00 60.65 58.57 1a6x s ILE 82 Cb 0.02 -0.40 0.00 0.00 -1.58 0.00 0.00 42.46 40.50 1a6x s ILE 82 CO 0.13 -0.01 0.81 -0.69 -1.23 0.00 0.00 174.94 173.95 1a6x s VAL 83 N 2.23 4.75 -0.14 2.92 1.01 0.03 -4.97 120.40 126.24 1a6x s VAL 83 Ca 0.04 1.14 0.01 0.00 0.00 0.00 0.00 61.98 63.17 1a6x s VAL 83 Cb -0.14 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 1a6x s VAL 83 CO -0.07 -0.32 -0.17 -0.13 0.00 0.00 0.00 175.10 174.41 1a6x s ARG 84 N 3.05 3.21 -0.60 2.72 0.52 -1.26 0.19 118.95 126.78 1a6x s ARG 84 Ca 0.33 -0.77 -0.34 0.00 -0.52 0.00 0.00 55.73 54.44 1a6x s ARG 84 Cb -0.14 -2.55 -0.15 0.00 0.52 0.00 0.00 34.95 32.63 1a6x s ARG 84 CO 0.14 0.09 2.38 -1.13 0.02 0.00 0.00 175.30 176.81 1a6x n SER 85 N 3.83 1.36 0.00 0.23 3.41 0.14 -4.73 113.62 117.87 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 0.52 -1.16 0.67 0.00 -0.26 0.00 0.00 64.21 63.99 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 8.33 0.75 -3.58 4.33 -0.04 -1.26 -3.21 135.00 140.33 1a6x n PRO 86 Ca 0.50 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.91 1a6x n PRO 86 Cb 0.18 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.10 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 0.41 0.29 0.54 -1.94 -1.26 -4.96 119.30 110.38 1a6x s MET 87 Ca 0.34 1.08 -0.29 0.00 -1.71 0.00 0.00 55.69 55.11 1a6x s MET 87 Cb 0.16 0.39 -0.13 0.00 2.01 0.00 0.00 34.83 37.26 1a6x s MET 87 CO 0.26 -0.31 1.20 0.28 -0.01 0.00 0.00 175.02 176.44 1a6x n VAL 88 N 5.41 1.71 0.00 -6.03 0.31 -1.26 -4.68 118.33 113.78 1a6x n VAL 88 Ca -0.08 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1a6x n VAL 88 Cb 0.50 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 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 1.30 -0.55 3.25 2.92 0.00 -0.50 -4.75 105.19 106.85 1a6x n GLY 89 Ca 0.09 0.24 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 0.73 -0.02 2.61 2.01 0.41 -0.65 115.64 120.73 1a6x s THR 90 Ca 0.00 -1.99 0.01 0.00 0.31 0.00 0.00 61.69 60.02 1a6x s THR 90 Cb 0.00 -2.13 0.01 0.00 0.01 0.00 0.00 72.50 70.39 1a6x s THR 90 CO 0.00 -0.47 -0.04 0.12 -0.69 0.00 0.00 174.62 173.54 1a6x s PHE 91 N -3.62 0.49 0.16 4.92 2.19 -0.35 0.15 117.98 121.92 1a6x s PHE 91 Ca 0.24 -0.09 0.08 0.00 0.33 0.00 0.00 56.93 57.49 1a6x s PHE 91 Cb 0.06 -0.41 -0.04 0.00 -1.31 0.00 0.00 43.02 41.32 1a6x s PHE 91 CO 0.04 -0.08 -0.18 0.71 1.83 0.00 0.00 175.22 177.55 1a6x s TYR 92 N 0.39 1.78 -0.46 10.12 2.02 0.61 0.50 117.35 132.31 1a6x s TYR 92 Ca -0.04 -0.48 0.18 0.00 -0.37 0.00 0.00 57.07 56.36 1a6x s TYR 92 Cb -0.08 -0.89 -0.24 0.00 -0.40 0.00 0.00 41.96 40.35 1a6x s TYR 92 CO -0.00 0.31 0.60 0.54 -1.57 0.00 0.00 175.55 175.43 1a6x n ARG 93 N 0.30 0.80 -4.15 -0.62 5.12 -1.26 -1.33 116.66 115.52 1a6x n ARG 93 Ca -0.13 -0.08 -0.13 0.00 -1.93 0.00 0.00 57.85 55.58 1a6x n ARG 93 Cb 0.57 -1.40 -0.11 0.00 -1.16 0.00 0.00 32.46 30.37 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 -2.99 0.75 -0.26 0.55 -4.23 -1.26 -1.40 115.64 106.80 1a6x s THR 94 Ca 0.00 -1.62 0.28 0.00 -1.18 0.00 0.00 61.69 59.17 1a6x s THR 94 Cb 0.13 -1.31 0.35 0.00 1.34 0.00 0.00 72.50 73.01 1a6x s THR 94 CO 0.76 -0.64 1.79 1.55 -0.54 0.00 0.00 174.62 177.54 1a6x h PRO 95 N 3.55 0.00 -3.57 3.99 0.13 -1.90 -3.46 132.00 130.73 1a6x h PRO 95 Ca -0.36 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.62 1a6x h PRO 95 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1a6x h PRO 95 CO 0.55 0.00 0.04 0.45 -0.23 0.00 0.00 178.00 178.80 1a6x s SER 96 N -5.62 0.46 -0.08 1.44 0.15 -1.26 -5.02 113.70 103.77 1a6x s SER 96 Ca 0.05 -1.31 -0.26 0.00 0.70 0.00 0.00 55.95 55.13 1a6x s SER 96 Cb 0.08 0.75 -0.22 0.00 -1.71 0.00 0.00 66.02 64.92 1a6x s SER 96 CO 0.58 -1.48 0.97 1.55 1.20 0.00 0.00 173.24 176.05 1a6x h PRO 97 N 2.06 -0.02 -0.81 5.44 0.13 -1.98 -3.23 132.00 133.58 1a6x h PRO 97 Ca -0.30 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.70 1a6x h PRO 97 Cb 1.24 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.30 1a6x h PRO 97 CO 0.39 0.68 0.17 -3.47 -0.23 0.00 0.00 178.00 175.55 1a6x n ASP 98 N -4.75 4.08 -4.93 1.44 4.64 -1.26 -4.90 116.55 110.87 1a6x n ASP 98 Ca -0.09 -2.85 -0.21 0.00 -1.38 0.00 0.00 54.79 50.26 1a6x n ASP 98 Cb 0.35 -0.67 -0.03 0.00 -1.04 0.00 0.00 41.12 39.73 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1a6x s ALA 99 N -2.30 3.85 0.86 -1.67 0.00 -1.22 -5.10 121.76 116.18 1a6x s ALA 99 Ca 0.40 -1.28 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 1a6x s ALA 99 Cb 0.31 -1.62 0.11 0.00 0.00 0.00 0.00 23.12 21.92 1a6x s ALA 99 CO 0.10 0.24 1.10 0.15 0.00 0.00 0.00 175.76 177.35 1a6x s LYS 100 N -3.95 1.54 0.09 0.00 3.01 -1.26 -4.78 119.74 114.39 1a6x s LYS 100 Ca 0.34 0.71 -0.28 0.00 -1.01 0.00 0.00 55.97 55.72 1a6x s LYS 100 Cb -0.09 -1.85 -0.06 0.00 -1.01 0.00 0.00 37.83 34.82 1a6x s LYS 100 CO 0.28 -2.01 0.89 0.00 0.51 0.00 0.00 175.35 175.02 1a6x s ALA 101 N -3.04 3.29 0.27 5.17 0.00 -1.26 -4.23 121.76 121.96 1a6x s ALA 101 Ca 0.62 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 1a6x s ALA 101 Cb -0.16 -3.18 0.47 0.00 0.00 0.00 0.00 23.12 20.25 1a6x s ALA 101 CO 0.56 0.02 1.86 0.74 0.00 0.00 0.00 175.76 178.93 1a6x h PHE 102 N 5.53 1.16 -3.24 0.00 0.04 -1.57 -3.38 116.94 115.48 1a6x h PHE 102 Ca -0.43 0.03 -0.47 0.00 2.80 0.00 0.00 57.97 59.90 1a6x h PHE 102 Cb 1.21 -0.38 -0.39 0.00 2.20 0.00 0.00 35.95 38.59 1a6x h PHE 102 CO 0.65 0.53 -0.76 0.96 -0.60 0.00 0.00 178.31 179.09 1a6x s ILE 103 N -6.00 0.39 -0.36 -0.55 -5.25 -1.26 -4.84 121.20 103.33 1a6x s ILE 103 Ca -0.12 -0.14 -0.20 0.00 -0.99 0.00 0.00 60.65 59.19 1a6x s ILE 103 Cb 0.21 -0.71 0.00 0.00 2.95 0.00 0.00 42.46 44.91 1a6x s ILE 103 CO 0.81 0.04 0.64 -0.70 -1.79 0.00 0.00 174.94 173.94 1a6x s GLU 104 N 1.95 3.67 -0.50 0.37 2.12 -1.26 -4.97 118.70 120.08 1a6x s GLU 104 Ca 0.03 0.05 -0.46 0.00 0.36 0.00 0.00 54.97 54.95 1a6x s GLU 104 Cb -0.14 -3.81 -0.20 0.00 0.26 0.00 0.00 34.13 30.24 1a6x s GLU 104 CO -0.06 -0.74 1.81 0.28 -0.54 0.00 0.00 175.26 176.00 1a6x n VAL 105 N 5.60 0.00 0.00 3.70 0.31 -1.26 -0.85 118.33 125.82 1a6x n VAL 105 Ca -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1a6x n VAL 105 Cb 0.49 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 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 5.35 1.36 3.61 2.92 0.00 -1.26 -5.11 105.19 112.06 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 -0.24 2.09 0.08 1.61 0.74 -0.03 -5.02 119.66 118.88 1a6x s GLN 107 Ca 0.00 -1.62 0.01 0.00 0.05 0.00 0.00 55.36 53.80 1a6x s GLN 107 Cb 0.00 -1.99 -0.04 0.00 1.10 0.00 0.00 33.01 32.08 1a6x s GLN 107 CO 0.00 0.26 0.17 -1.59 -0.55 0.00 0.00 175.29 173.58 1a6x s LYS 108 N -3.66 3.24 -0.04 1.67 -2.85 -1.26 -3.39 119.74 113.45 1a6x s LYS 108 Ca 0.33 -0.56 0.03 0.00 -1.00 0.00 0.00 55.97 54.77 1a6x s LYS 108 Cb -0.04 -2.91 0.00 0.00 -2.06 0.00 0.00 37.83 32.82 1a6x s LYS 108 CO 0.19 0.58 -0.12 0.14 0.10 0.00 0.00 175.35 176.24 1a6x s VAL 109 N -1.51 1.00 0.07 1.79 -7.23 -0.41 -5.01 120.40 109.09 1a6x s VAL 109 Ca 0.33 -0.47 0.09 0.00 -1.81 0.00 0.00 61.98 60.12 1a6x s VAL 109 Cb -0.12 -0.89 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 1a6x s VAL 109 CO 0.26 0.31 -0.22 0.21 -0.31 0.00 0.00 175.10 175.35 1a6x s ASN 110 N 0.25 3.57 -0.51 4.85 3.84 -1.26 -0.66 114.94 125.02 1a6x s ASN 110 Ca -0.05 -0.54 -0.43 0.00 0.21 0.00 0.00 52.86 52.04 1a6x s ASN 110 Cb -0.11 -0.45 -0.19 0.00 -0.55 0.00 0.00 41.25 39.95 1a6x s ASN 110 CO 0.01 0.23 2.16 0.55 -2.79 0.00 0.00 177.10 177.27 1a6x n VAL 111 N 1.38 0.01 0.00 -5.21 3.14 -1.26 0.73 118.33 117.11 1a6x n VAL 111 Ca -0.17 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1a6x n VAL 111 Cb 0.52 -0.55 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 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 1.60 3.78 7.55 0.00 -1.18 -5.01 105.19 119.34 1a6x n GLY 112 Ca 0.55 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.76 7.06 0.46 1.61 1.01 0.22 -4.83 116.67 120.45 1a6x s ASP 113 Ca 0.00 1.26 -0.24 0.00 0.71 0.00 0.00 52.55 54.28 1a6x s ASP 113 Cb 0.00 -2.38 -0.07 0.00 1.01 0.00 0.00 42.92 41.47 1a6x s ASP 113 CO 0.00 0.17 1.26 -0.89 0.21 0.00 0.00 175.17 175.92 1a6x s THR 114 N -0.60 2.71 -0.09 -1.27 2.01 -1.26 -0.60 115.64 116.53 1a6x s THR 114 Ca 0.31 0.57 0.08 0.00 0.31 0.00 0.00 61.69 62.96 1a6x s THR 114 Cb -0.19 -3.31 -0.11 0.00 0.01 0.00 0.00 72.50 68.90 1a6x s THR 114 CO 0.19 0.03 0.03 -0.11 -0.69 0.00 0.00 174.62 174.07 1a6x n LEU 115 N -0.35 0.08 0.00 4.42 7.94 0.82 -4.66 117.00 125.26 1a6x n LEU 115 Ca 0.06 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 1a6x n LEU 115 Cb 0.46 0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.60 1a6x n LEU 115 CO 0.52 0.23 0.00 0.00 -1.11 0.00 0.00 177.39 177.03 1a6x s ILE 117 N -2.65 2.08 -0.11 0.00 -1.09 -0.44 -0.36 121.20 118.63 1a6x s ILE 117 Ca 0.00 -2.28 -0.04 0.00 -2.23 0.00 0.00 60.65 56.09 1a6x s ILE 117 Cb 0.00 -2.15 0.06 0.00 -1.58 0.00 0.00 42.46 38.79 1a6x s ILE 117 CO 0.00 -0.49 0.23 -0.69 -1.23 0.00 0.00 174.94 172.76 1a6x s VAL 118 N -2.70 -0.35 -0.07 2.92 1.01 0.13 -0.29 120.40 121.05 1a6x s VAL 118 Ca 0.25 0.31 -0.28 0.00 0.00 0.00 0.00 61.98 62.26 1a6x s VAL 118 Cb -0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 1a6x s VAL 118 CO 0.10 0.13 0.94 -0.70 0.00 0.00 0.00 175.10 175.57 1a6x s GLU 119 N 2.36 4.46 -0.00 2.72 2.12 0.12 0.17 118.70 130.64 1a6x s GLU 119 Ca 0.02 1.29 -0.29 0.00 0.36 0.00 0.00 54.97 56.35 1a6x s GLU 119 Cb -0.12 -3.51 0.11 0.00 0.26 0.00 0.00 34.13 30.87 1a6x s GLU 119 CO -0.07 -0.18 1.27 0.00 -0.54 0.00 0.00 175.26 175.73 1a6x s ALA 120 N 1.55 -2.27 -1.63 6.30 0.00 -0.54 -0.45 121.76 124.71 1a6x s ALA 120 Ca 0.47 0.44 -0.09 0.00 0.00 0.00 0.00 51.96 52.78 1a6x s ALA 120 Cb -0.19 0.54 0.08 0.00 0.00 0.00 0.00 23.12 23.56 1a6x s ALA 120 CO 0.21 -1.08 0.34 0.00 0.00 0.00 0.00 175.76 175.22 1a6x n MET 121 N -0.62 -1.62 -4.25 0.00 0.00 -1.26 0.22 117.12 109.58 1a6x n MET 121 Ca -0.05 0.20 -0.34 0.00 0.00 0.00 0.00 57.70 57.52 1a6x n MET 121 Cb 0.61 -4.26 -0.07 0.00 0.00 0.00 0.00 33.22 29.50 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 -4.39 -0.96 -3.61 3.17 4.76 -1.26 -4.86 118.16 111.00 1a6x n LYS 122 Ca -0.15 0.11 -0.01 0.00 -2.87 0.00 0.00 58.31 55.39 1a6x n LYS 122 Cb 0.60 -3.45 -0.01 0.00 -1.84 0.00 0.00 35.03 30.33 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 -7.34 0.15 -0.20 1.97 -1.94 0.13 -5.13 119.30 106.94 1a6x s MET 123 Ca 0.09 -0.07 -0.25 0.00 -1.71 0.00 0.00 55.69 53.75 1a6x s MET 123 Cb -0.05 0.06 -0.01 0.00 2.01 0.00 0.00 34.83 36.84 1a6x s MET 123 CO 0.99 -0.07 0.83 0.00 -0.01 0.00 0.00 175.02 176.76 1a6x s MET 124 N -2.19 4.25 -0.43 2.03 0.23 -1.26 -1.47 119.30 120.46 1a6x s MET 124 Ca 0.12 0.99 -0.08 0.00 -1.03 0.00 0.00 55.69 55.70 1a6x s MET 124 Cb 0.02 -3.60 0.10 0.00 -1.53 0.00 0.00 34.83 29.82 1a6x s MET 124 CO -0.04 -0.41 0.28 -0.80 -2.03 0.00 0.00 175.02 172.02 1a6x s ASN 125 N 1.23 5.59 0.21 -1.18 0.01 0.13 -4.96 114.94 115.96 1a6x s ASN 125 Ca 0.37 -1.74 -0.30 0.00 -0.71 0.00 0.00 52.86 50.48 1a6x s ASN 125 Cb -0.16 -1.97 -0.08 0.00 0.41 0.00 0.00 41.25 39.45 1a6x s ASN 125 CO 0.10 -0.59 1.06 -1.10 -1.51 0.00 0.00 177.10 175.06 1a6x s GLN 126 N 1.35 4.66 -0.32 -0.60 1.11 -1.26 0.22 119.66 124.83 1a6x s GLN 126 Ca 0.05 1.68 -0.12 0.00 0.01 0.00 0.00 55.36 56.98 1a6x s GLN 126 Cb -0.24 -3.26 -0.03 0.00 -1.01 0.00 0.00 33.01 28.47 1a6x s GLN 126 CO -0.00 0.20 0.21 0.42 0.01 0.00 0.00 175.29 176.14 1a6x s ILE 127 N -0.65 5.22 -0.20 1.08 -1.09 0.51 -4.92 121.20 121.14 1a6x s ILE 127 Ca 0.46 -0.11 -0.07 0.00 -2.23 0.00 0.00 60.65 58.70 1a6x s ILE 127 Cb -0.29 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 1a6x s ILE 127 CO 0.36 0.09 0.07 -0.70 -1.23 0.00 0.00 174.94 173.52 1a6x s GLU 128 N 1.72 3.91 0.14 2.79 2.12 -1.26 -0.13 118.70 128.00 1a6x s GLU 128 Ca 0.06 -0.37 -0.34 0.00 0.36 0.00 0.00 54.97 54.68 1a6x s GLU 128 Cb -0.17 -3.24 -0.16 0.00 0.26 0.00 0.00 34.13 30.82 1a6x s GLU 128 CO 0.10 0.18 1.19 0.00 -0.54 0.00 0.00 175.26 176.19 1a6x n ALA 129 N 3.83 -1.04 -0.87 6.30 0.00 0.23 -4.85 120.51 124.11 1a6x n ALA 129 Ca -0.16 0.48 0.08 0.00 0.00 0.00 0.00 53.44 53.84 1a6x n ALA 129 Cb 0.52 -2.02 0.22 0.00 0.00 0.00 0.00 19.45 18.18 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 2.13 3.48 -2.96 0.00 9.92 -1.26 -3.13 116.55 124.72 1a6x n ASP 130 Ca 0.16 -2.87 0.04 0.00 -0.53 0.00 0.00 54.79 51.60 1a6x n ASP 130 Cb 0.22 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 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 -2.54 0.04 0.24 -1.24 2.20 -1.26 -5.01 119.74 112.17 1a6x s LYS 131 Ca 0.37 0.01 -0.26 0.00 -0.36 0.00 0.00 55.97 55.74 1a6x s LYS 131 Cb 0.29 0.01 -0.16 0.00 -1.51 0.00 0.00 37.83 36.46 1a6x s LYS 131 CO 0.09 -0.07 0.40 0.43 -0.36 0.00 0.00 175.35 175.84 1a6x n SER 132 N 4.43 -1.59 -1.85 1.43 7.64 -1.26 -4.85 113.62 117.58 1a6x n SER 132 Ca 0.08 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1a6x n SER 132 Cb 0.61 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 2.02 0.64 3.40 0.23 0.00 0.17 -4.95 105.19 106.69 1a6x n GLY 133 Ca 0.16 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 1a6x n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a6x s THR 134 N -2.18 2.46 0.99 2.61 -4.23 -1.26 -1.29 115.64 112.74 1a6x s THR 134 Ca 0.09 -1.27 -0.17 0.00 -1.18 0.00 0.00 61.69 59.16 1a6x s THR 134 Cb -0.00 -1.99 -0.14 0.00 1.34 0.00 0.00 72.50 71.71 1a6x s THR 134 CO 0.00 0.37 -0.73 0.55 -0.54 0.00 0.00 174.62 174.27 1a6x n VAL 135 N 1.71 0.00 0.00 2.29 3.14 -1.22 0.19 118.33 124.44 1a6x n VAL 135 Ca -0.17 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.74 1a6x n VAL 135 Cb 0.52 -0.04 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 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 2.21 0.00 0.00 1.45 0.00 0.37 -3.91 118.16 118.28 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 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 35.03 35.55 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 -2.42 0.00 -2.58 3.14 0.00 0.09 -4.95 120.51 113.78 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 0.00 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 -0.72 5.29 -0.13 0.00 1.09 -1.26 0.19 121.20 125.65 1a6x s ILE 138 Ca 0.00 0.15 -0.14 0.00 -1.10 0.00 0.00 60.65 59.56 1a6x s ILE 138 Cb 0.00 -3.58 -0.25 0.00 -1.06 0.00 0.00 42.46 37.57 1a6x s ILE 138 CO 0.00 0.20 0.42 -0.07 -0.10 0.00 0.00 174.94 175.39 1a6x h LEU 139 N 8.42 0.31-10.53 2.97 3.38 -0.74 -3.47 115.31 115.64 1a6x h LEU 139 Ca -0.34 -0.81 -0.48 0.00 0.09 0.00 0.00 57.88 56.33 1a6x h LEU 139 Cb 1.18 -0.10 0.09 0.00 0.09 0.00 0.00 40.66 41.92 1a6x h LEU 139 CO 0.57 1.67 0.41 0.54 0.09 0.00 0.00 178.44 181.73 1a6x s VAL 140 N -2.48 2.90 0.43 1.22 0.11 0.15 -5.02 120.40 117.70 1a6x s VAL 140 Ca -0.23 0.28 0.06 0.00 -2.93 0.00 0.00 61.98 59.17 1a6x s VAL 140 Cb 0.05 -3.29 -0.06 0.00 -1.53 0.00 0.00 36.38 31.55 1a6x s VAL 140 CO 0.73 -0.38 0.04 -0.70 -3.33 0.00 0.00 175.10 171.47 1a6x s GLU 141 N -5.44 2.04 -0.72 1.54 -6.30 -1.26 -4.96 118.70 103.60 1a6x s GLU 141 Ca 0.60 -2.11 -0.27 0.00 -2.50 0.00 0.00 54.97 50.69 1a6x s GLU 141 Cb -0.11 -1.69 0.03 0.00 0.00 0.00 0.00 34.13 32.36 1a6x s GLU 141 CO 0.51 -0.11 1.26 0.45 0.02 0.00 0.00 175.26 177.38 1a6x s SER 142 N -3.77 6.20 0.00 -1.70 0.15 -1.26 -3.15 113.70 110.17 1a6x s SER 142 Ca 0.32 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1a6x s SER 142 Cb 0.08 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1a6x s SER 142 CO 0.17 -1.78 0.00 0.61 1.20 0.00 0.00 173.24 173.44 1a6x n GLY 143 N 5.34 1.55 3.51 9.45 0.00 0.18 -4.86 105.19 120.36 1a6x n GLY 143 Ca 0.03 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 1a6x n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a6x n GLN 144 N 0.00 0.59 -1.56 1.61 3.00 -1.19 -4.44 117.38 115.40 1a6x n GLN 144 Ca 0.00 0.23 -0.30 0.00 -0.01 0.00 0.00 57.00 56.93 1a6x n GLN 144 Cb 0.00 -1.86 0.09 0.00 0.00 0.00 0.00 30.24 28.47 1a6x n GLN 144 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1a6x s PRO 145 N -2.38 2.04 0.05 -1.09 0.04 -1.26 -1.21 135.00 131.19 1a6x s PRO 145 Ca 0.71 0.62 -0.04 0.00 0.04 0.00 0.00 61.00 62.33 1a6x s PRO 145 Cb -0.42 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 1a6x s PRO 145 CO 0.52 -1.64 0.05 0.14 0.04 0.00 0.00 177.00 176.11 1a6x s VAL 146 N -3.17 0.17 0.21 -0.36 -7.23 0.17 -4.69 120.40 105.51 1a6x s VAL 146 Ca 0.61 -1.44 0.02 0.00 -1.81 0.00 0.00 61.98 59.36 1a6x s VAL 146 Cb -0.14 -1.25 -0.05 0.00 0.56 0.00 0.00 36.38 35.50 1a6x s VAL 146 CO 0.54 -0.79 0.02 -1.61 -0.31 0.00 0.00 175.10 172.94 1a6x s GLU 147 N -3.44 1.24 0.25 4.82 2.02 -1.26 -1.41 118.70 120.91 1a6x s GLU 147 Ca 0.02 -1.62 -0.30 0.00 0.02 0.00 0.00 54.97 53.09 1a6x s GLU 147 Cb 0.04 -0.38 -0.11 0.00 0.10 0.00 0.00 34.13 33.79 1a6x s GLU 147 CO -0.08 -0.15 1.53 0.12 0.02 0.00 0.00 175.26 176.69 1a6x s PHE 148 N -3.60 2.92 0.00 1.61 2.19 -1.26 -0.93 117.98 118.91 1a6x s PHE 148 Ca 0.28 0.85 0.00 0.00 0.33 0.00 0.00 56.93 58.39 1a6x s PHE 148 Cb 0.06 -3.94 0.00 0.00 -1.31 0.00 0.00 43.02 37.83 1a6x s PHE 148 CO 0.07 -3.19 0.00 -3.47 1.83 0.00 0.00 175.22 170.46 1a6x n ASP 149 N 2.58 -1.31 -4.75 6.13 -0.08 -1.20 -4.98 116.55 112.94 1a6x n ASP 149 Ca 0.09 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.97 1a6x n ASP 149 Cb 0.39 -0.83 -0.05 0.00 2.34 0.00 0.00 41.12 42.96 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 -0.33 4.55 0.52 -0.67 2.56 -0.11 -4.90 118.70 120.32 1a6x s GLU 150 Ca 0.00 1.16 -0.19 0.00 0.00 0.00 0.00 54.97 55.94 1a6x s GLU 150 Cb 0.00 -3.33 -0.07 0.00 2.00 0.00 0.00 34.13 32.73 1a6x s GLU 150 CO 0.00 0.37 1.04 -1.25 -0.56 0.00 0.00 175.26 174.87 1a6x s PRO 151 N -0.43 3.66 0.00 4.30 0.04 -1.26 0.24 135.00 141.54 1a6x s PRO 151 Ca 0.39 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1a6x s PRO 151 Cb -0.22 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1a6x s PRO 151 CO 0.25 -0.54 0.00 1.28 0.04 0.00 0.00 177.00 178.03 1a6x n LEU 152 N -1.33 0.00 -4.33 -3.56 4.77 0.50 -4.54 117.00 108.51 1a6x n LEU 152 Ca 0.09 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.86 1a6x n LEU 152 Cb 0.53 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 1a6x n LEU 152 CO 0.42 -0.17 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.15 1a6x s VAL 153 N -0.33 1.78 -0.15 4.08 1.01 -1.17 0.35 120.40 125.97 1a6x s VAL 153 Ca 0.00 -1.91 -0.01 0.00 0.00 0.00 0.00 61.98 60.06 1a6x s VAL 153 Cb 0.00 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1a6x s VAL 153 CO 0.00 -0.33 -0.12 -0.69 0.00 0.00 0.00 175.10 173.96 1a6x s VAL 154 N -2.08 3.05 0.32 2.92 1.01 0.49 -0.79 120.40 125.32 1a6x s VAL 154 Ca 0.15 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.57 1a6x s VAL 154 Cb -0.06 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1a6x s VAL 154 CO 0.06 0.51 0.09 -0.63 0.00 0.00 0.00 175.10 175.14 1a6x s ILE 155 N 0.59 3.10 -1.14 2.22 1.09 -0.25 -0.48 121.20 126.34 1a6x s ILE 155 Ca -0.07 -1.77 0.09 0.00 -1.10 0.00 0.00 60.65 57.80 1a6x s ILE 155 Cb -0.15 -2.94 0.07 0.00 -1.06 0.00 0.00 42.46 38.38 1a6x s ILE 155 CO 0.03 -0.23 0.79 1.21 -0.10 0.00 0.00 174.94 176.64