#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 -3.80 0.03 -0.58 -1.26 -4.45 120.64 110.58 1a6x n GLU 71 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 1a6x n GLU 71 Cb 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.76 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a6x s ALA 72 N 0.00 3.43 -0.71 0.62 0.00 -1.26 -4.97 121.76 118.87 1a6x s ALA 72 Ca 0.00 -3.14 -0.06 0.00 0.00 0.00 0.00 51.96 48.76 1a6x s ALA 72 Cb 0.00 -2.48 -0.12 0.00 0.00 0.00 0.00 23.12 20.52 1a6x s ALA 72 CO 0.00 -2.03 2.63 -0.35 0.00 0.00 0.00 175.76 176.02 1a6x n PRO 73 N 3.57 2.24 -3.43 0.00 -0.04 -1.26 -4.64 135.00 131.44 1a6x n PRO 73 Ca 0.06 -1.34 -0.30 0.00 -0.04 0.00 0.00 63.50 61.87 1a6x n PRO 73 Cb 0.37 -2.30 0.03 0.00 -0.04 0.00 0.00 33.50 31.56 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 3.39 -2.50 -2.68 0.55 0.00 -1.26 -4.96 120.51 113.05 1a6x n ALA 74 Ca 0.48 0.38 -0.05 0.00 0.00 0.00 0.00 53.44 54.25 1a6x n ALA 74 Cb 0.39 -2.25 0.06 0.00 0.00 0.00 0.00 19.45 17.65 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 -0.64 -3.36 0.07 0.00 0.00 -1.26 -5.05 120.51 110.27 1a6x n ALA 75 Ca -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1a6x n ALA 75 Cb 0.64 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 17.08 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 1.78 3.00 -1.92 0.00 0.00 -1.26 -5.09 120.51 117.02 1a6x n ALA 76 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.21 1a6x n ALA 76 Cb 0.68 0.16 0.07 0.00 0.00 0.00 0.00 19.45 20.36 1a6x n ALA 76 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1a6x s GLU 77 N -1.86 2.17 0.30 0.00 8.01 -1.26 -4.88 118.70 121.18 1a6x s GLU 77 Ca 0.00 -0.09 0.00 0.00 0.01 0.00 0.00 54.97 54.89 1a6x s GLU 77 Cb 0.00 -2.09 0.00 0.00 -4.31 0.00 0.00 34.13 27.73 1a6x s GLU 77 CO 0.00 -1.33 0.00 -0.89 0.01 0.00 0.00 175.26 173.05 1a6x n ILE 78 N -3.05 -6.59 -2.65 -1.63 2.08 -1.26 -5.05 119.36 101.20 1a6x n ILE 78 Ca 0.08 2.43 -0.04 0.00 0.56 0.00 0.00 62.75 65.78 1a6x n ILE 78 Cb 0.60 -3.54 0.07 0.00 -0.75 0.00 0.00 39.64 36.03 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 0.65 -1.06 0.00 4.38 3.41 -1.26 -4.91 113.62 114.82 1a6x n SER 79 Ca 0.00 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 1a6x n SER 79 Cb 0.00 0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 1.68 2.39 3.09 5.00 0.00 -1.25 -4.80 105.19 111.30 1a6x n GLY 80 Ca 0.02 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 -0.37 -0.22 1.61 5.04 -0.08 -4.91 115.29 116.36 1a6x s HIS 81 Ca 0.00 0.87 -0.14 0.00 -1.54 0.00 0.00 55.06 54.24 1a6x s HIS 81 Cb 0.00 0.09 -0.04 0.00 0.04 0.00 0.00 32.58 32.66 1a6x s HIS 81 CO 0.00 -0.25 0.33 0.42 -2.34 0.00 0.00 174.74 172.90 1a6x s ILE 82 N 1.24 5.24 0.08 0.89 1.09 -1.26 -1.19 121.20 127.28 1a6x s ILE 82 Ca -0.09 0.54 -0.27 0.00 -1.10 0.00 0.00 60.65 59.74 1a6x s ILE 82 Cb -0.10 -3.66 -0.06 0.00 -1.06 0.00 0.00 42.46 37.58 1a6x s ILE 82 CO -0.09 0.27 0.83 -0.69 -0.10 0.00 0.00 174.94 175.16 1a6x s VAL 83 N 1.33 4.62 -0.11 2.92 1.01 -0.75 -4.97 120.40 124.44 1a6x s VAL 83 Ca 0.15 1.79 0.02 0.00 0.00 0.00 0.00 61.98 63.95 1a6x s VAL 83 Cb -0.14 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.06 1a6x s VAL 83 CO 0.07 0.36 -0.19 -0.13 0.00 0.00 0.00 175.10 175.22 1a6x s ARG 84 N -0.14 2.59 -0.95 2.72 0.52 -1.26 0.51 118.95 122.94 1a6x s ARG 84 Ca 0.41 -0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 54.63 1a6x s ARG 84 Cb -0.22 -2.10 -0.21 0.00 0.52 0.00 0.00 34.95 32.94 1a6x s ARG 84 CO 0.26 0.01 2.56 0.45 0.02 0.00 0.00 175.30 178.59 1a6x n SER 85 N 4.00 0.21 0.00 0.23 2.88 0.13 -4.67 113.62 116.40 1a6x n SER 85 Ca -0.20 0.14 0.12 0.00 -1.33 0.00 0.00 58.87 57.61 1a6x n SER 85 Cb 0.52 -0.86 0.70 0.00 -0.75 0.00 0.00 64.21 63.81 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 8.00 0.75 -3.25 -1.46 -0.04 -1.26 -3.77 135.00 133.97 1a6x n PRO 86 Ca 0.63 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 64.12 1a6x n PRO 86 Cb 0.03 -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 -1.64 -0.04 0.00 0.00 175.50 173.82 1a6x s MET 87 N -2.00 0.40 0.25 0.54 -1.94 -1.26 -5.00 119.30 110.29 1a6x s MET 87 Ca 0.35 0.79 -0.30 0.00 -1.71 0.00 0.00 55.69 54.83 1a6x s MET 87 Cb 0.16 0.45 -0.14 0.00 2.01 0.00 0.00 34.83 37.31 1a6x s MET 87 CO 0.27 -0.34 1.09 0.28 -0.01 0.00 0.00 175.02 176.31 1a6x n VAL 88 N 5.36 1.58 0.00 -6.03 0.31 -1.26 -4.75 118.33 113.55 1a6x n VAL 88 Ca -0.06 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1a6x n VAL 88 Cb 0.52 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 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 1.53 -0.57 3.02 2.92 0.00 -0.31 -4.68 105.19 107.10 1a6x n GLY 89 Ca 0.11 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.61 1.48 -0.08 2.61 2.01 0.43 -0.32 115.64 120.16 1a6x s THR 90 Ca 0.00 -0.60 -0.21 0.00 0.31 0.00 0.00 61.69 61.19 1a6x s THR 90 Cb 0.00 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 1a6x s THR 90 CO 0.00 0.44 0.60 0.12 -0.69 0.00 0.00 174.62 175.09 1a6x s PHE 91 N 1.32 3.57 0.03 4.92 2.19 -0.18 -0.07 117.98 129.76 1a6x s PHE 91 Ca 0.01 1.10 0.06 0.00 0.33 0.00 0.00 56.93 58.43 1a6x s PHE 91 Cb -0.14 -2.68 -0.02 0.00 -1.31 0.00 0.00 43.02 38.88 1a6x s PHE 91 CO -0.07 0.16 -0.18 0.71 1.83 0.00 0.00 175.22 177.67 1a6x s TYR 92 N 0.60 1.58 -0.38 10.12 2.02 0.12 0.29 117.35 131.70 1a6x s TYR 92 Ca 0.32 -0.35 0.23 0.00 -0.37 0.00 0.00 57.07 56.90 1a6x s TYR 92 Cb -0.17 -0.96 0.04 0.00 -0.40 0.00 0.00 41.96 40.47 1a6x s TYR 92 CO 0.15 0.05 1.03 0.54 -1.57 0.00 0.00 175.55 175.75 1a6x n ARG 93 N 2.04 0.48 -4.18 -0.62 5.12 -1.26 -0.81 116.66 117.42 1a6x n ARG 93 Ca -0.17 0.05 -0.15 0.00 -1.93 0.00 0.00 57.85 55.66 1a6x n ARG 93 Cb 0.54 -1.71 -0.11 0.00 -1.16 0.00 0.00 32.46 30.02 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 -3.31 0.98 -0.03 0.55 -4.23 -1.26 -1.33 115.64 107.02 1a6x s THR 94 Ca 0.01 -1.66 0.22 0.00 -1.18 0.00 0.00 61.69 59.07 1a6x s THR 94 Cb 0.12 -1.39 0.21 0.00 1.34 0.00 0.00 72.50 72.77 1a6x s THR 94 CO 0.79 -0.55 1.69 1.55 -0.54 0.00 0.00 174.62 177.57 1a6x h PRO 95 N 3.53 0.00 -3.86 3.99 0.13 -1.86 -3.47 132.00 130.46 1a6x h PRO 95 Ca -0.37 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.65 1a6x h PRO 95 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 1a6x h PRO 95 CO 0.53 0.27 -0.22 -1.12 -0.23 0.00 0.00 178.00 177.23 1a6x s SER 96 N -6.25 0.03 0.39 1.44 0.01 -1.26 -5.03 113.70 103.04 1a6x s SER 96 Ca 0.02 -1.06 0.21 0.00 1.31 0.00 0.00 55.95 56.43 1a6x s SER 96 Cb 0.09 0.56 0.59 0.00 0.21 0.00 0.00 66.02 67.47 1a6x s SER 96 CO 0.67 -1.10 1.68 1.55 0.41 0.00 0.00 173.24 176.45 1a6x h PRO 97 N 2.31 0.00 -0.44 12.44 0.13 -1.97 -3.04 132.00 141.43 1a6x h PRO 97 Ca -0.28 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.58 1a6x h PRO 97 Cb 1.25 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.21 1a6x h PRO 97 CO 0.39 0.29 -0.18 -0.25 -0.23 0.00 0.00 178.00 178.02 1a6x n ASP 98 N -3.31 3.20 -4.28 1.44 8.00 -1.26 -4.98 116.55 115.35 1a6x n ASP 98 Ca 0.01 -3.80 -0.28 0.00 0.71 0.00 0.00 54.79 51.43 1a6x n ASP 98 Cb 0.54 -0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 40.89 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 -3.36 1.95 1.02 2.24 0.00 -1.15 -5.13 121.76 117.32 1a6x s ALA 99 Ca 0.47 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.18 1a6x s ALA 99 Cb 0.41 -0.41 0.20 0.00 0.00 0.00 0.00 23.12 23.32 1a6x s ALA 99 CO -0.01 0.45 0.45 1.63 0.00 0.00 0.00 175.76 178.29 1a6x n LYS 100 N 1.95 -1.77 -3.81 0.00 4.76 -1.26 -4.71 118.16 113.32 1a6x n LYS 100 Ca -0.17 -0.76 -0.36 0.00 -2.87 0.00 0.00 58.31 54.16 1a6x n LYS 100 Cb 0.53 -1.39 -0.08 0.00 -1.84 0.00 0.00 35.03 32.25 1a6x n LYS 100 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1a6x s ALA 101 N -2.06 3.72 0.28 7.82 0.00 -1.26 -4.47 121.76 125.79 1a6x s ALA 101 Ca 0.35 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1a6x s ALA 101 Cb -0.06 -2.08 0.54 0.00 0.00 0.00 0.00 23.12 21.52 1a6x s ALA 101 CO 0.29 0.30 1.85 0.74 0.00 0.00 0.00 175.76 178.94 1a6x h PHE 102 N 6.15 1.14 -3.06 0.00 0.04 -1.56 -3.37 116.94 116.29 1a6x h PHE 102 Ca -0.45 0.03 -0.50 0.00 2.80 0.00 0.00 57.97 59.85 1a6x h PHE 102 Cb 1.18 -0.37 -0.40 0.00 2.20 0.00 0.00 35.95 38.56 1a6x h PHE 102 CO 0.63 0.48 -0.76 -1.50 -0.60 0.00 0.00 178.31 176.56 1a6x s ILE 103 N -5.96 0.15 -0.21 -0.55 1.10 -1.26 -4.91 121.20 109.56 1a6x s ILE 103 Ca -0.12 -0.50 -0.19 0.00 -0.51 0.00 0.00 60.65 59.33 1a6x s ILE 103 Cb 0.22 -0.87 -0.03 0.00 0.15 0.00 0.00 42.46 41.93 1a6x s ILE 103 CO 0.81 -0.40 0.55 -0.70 -2.11 0.00 0.00 174.94 173.10 1a6x s GLU 104 N 2.01 4.17 -0.50 3.50 2.12 -1.26 -4.97 118.70 123.78 1a6x s GLU 104 Ca 0.03 0.46 -0.46 0.00 0.36 0.00 0.00 54.97 55.37 1a6x s GLU 104 Cb -0.16 -3.58 -0.20 0.00 0.26 0.00 0.00 34.13 30.45 1a6x s GLU 104 CO -0.16 -0.22 1.80 0.28 -0.54 0.00 0.00 175.26 176.41 1a6x n VAL 105 N 4.71 0.00 0.00 3.70 0.31 -1.26 -1.63 118.33 124.16 1a6x n VAL 105 Ca -0.03 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1a6x n VAL 105 Cb 0.50 -0.51 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 5.26 1.68 3.35 2.92 0.00 -1.26 -5.12 105.19 112.01 1a6x n GLY 106 Ca 0.40 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.20 1.37 0.50 1.61 -0.44 -0.65 -5.02 119.66 116.83 1a6x s GLN 107 Ca 0.00 -1.69 0.07 0.00 -2.50 0.00 0.00 55.36 51.24 1a6x s GLN 107 Cb 0.00 -0.75 0.02 0.00 -1.64 0.00 0.00 33.01 30.64 1a6x s GLN 107 CO 0.00 -0.05 0.41 -1.59 0.50 0.00 0.00 175.29 174.56 1a6x s LYS 108 N -3.82 2.34 -0.14 1.67 -2.85 -1.26 -2.25 119.74 113.43 1a6x s LYS 108 Ca 0.28 -1.82 -0.13 0.00 -1.00 0.00 0.00 55.97 53.30 1a6x s LYS 108 Cb 0.05 -2.22 0.04 0.00 -2.06 0.00 0.00 37.83 33.63 1a6x s LYS 108 CO 0.09 -0.47 0.38 0.14 0.10 0.00 0.00 175.35 175.59 1a6x s VAL 109 N -2.66 0.00 0.01 1.79 -7.23 0.60 -4.97 120.40 107.95 1a6x s VAL 109 Ca 0.41 -0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.66 1a6x s VAL 109 Cb -0.02 -0.53 -0.03 0.00 0.56 0.00 0.00 36.38 36.36 1a6x s VAL 109 CO 0.25 -0.00 -0.22 0.20 -0.31 0.00 0.00 175.10 175.02 1a6x s ASN 110 N 0.19 3.44 -0.54 4.85 -0.87 -1.26 -1.02 114.94 119.73 1a6x s ASN 110 Ca -0.00 -0.45 -0.42 0.00 -1.57 0.00 0.00 52.86 50.41 1a6x s ASN 110 Cb -0.03 -0.47 -0.19 0.00 -0.02 0.00 0.00 41.25 40.54 1a6x s ASN 110 CO 0.01 0.29 2.20 0.52 -2.57 0.00 0.00 177.10 177.54 1a6x n VAL 111 N 1.97 0.01 0.00 1.60 0.31 -1.26 -0.19 118.33 120.77 1a6x n VAL 111 Ca -0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1a6x n VAL 111 Cb 0.52 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 1.19 3.64 2.92 0.00 -1.21 -5.04 105.19 114.05 1a6x n GLY 112 Ca 0.55 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.94 5.27 0.40 1.61 1.11 0.74 -4.88 116.67 119.98 1a6x s ASP 113 Ca 0.00 0.08 -0.27 0.00 0.18 0.00 0.00 52.55 52.55 1a6x s ASP 113 Cb 0.00 -1.67 -0.10 0.00 1.07 0.00 0.00 42.92 42.21 1a6x s ASP 113 CO 0.00 0.29 1.36 0.41 1.18 0.00 0.00 175.17 178.41 1a6x n THR 114 N 2.74 2.33 -0.04 -1.27 -1.04 -1.26 -0.23 114.28 115.51 1a6x n THR 114 Ca -0.18 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.29 1a6x n THR 114 Cb 0.53 -1.72 -0.05 0.00 -1.82 0.00 0.00 70.33 67.27 1a6x n THR 114 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a6x n LEU 115 N 0.33 0.76 0.00 -4.42 -0.00 0.10 -4.71 117.00 109.06 1a6x n LEU 115 Ca 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1a6x n LEU 115 Cb 0.39 0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1a6x n LEU 115 CO 0.61 0.29 0.00 0.00 -0.00 0.00 0.00 177.39 178.29 1a6x s ILE 117 N -2.07 0.49 -0.14 0.00 1.01 0.01 -1.06 121.20 119.44 1a6x s ILE 117 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1a6x s ILE 117 Cb 0.00 -0.50 0.02 0.00 0.01 0.00 0.00 42.46 41.99 1a6x s ILE 117 CO 0.00 -0.16 -0.13 -0.69 0.00 0.00 0.00 174.94 173.95 1a6x s VAL 118 N -0.83 1.47 -0.22 2.92 1.01 0.93 0.12 120.40 125.81 1a6x s VAL 118 Ca -0.05 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 1a6x s VAL 118 Cb -0.07 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1a6x s VAL 118 CO 0.00 0.44 0.22 -0.70 0.00 0.00 0.00 175.10 175.06 1a6x s GLU 119 N 1.46 4.12 0.11 2.72 2.12 0.90 -1.09 118.70 129.04 1a6x s GLU 119 Ca 0.03 -0.13 -0.25 0.00 0.36 0.00 0.00 54.97 54.98 1a6x s GLU 119 Cb -0.13 -3.51 0.08 0.00 0.26 0.00 0.00 34.13 30.83 1a6x s GLU 119 CO -0.09 0.08 1.11 0.00 -0.54 0.00 0.00 175.26 175.82 1a6x s ALA 120 N 0.98 -1.86 -1.62 6.30 0.00 -0.53 -0.43 121.76 124.59 1a6x s ALA 120 Ca 0.11 -0.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.96 1a6x s ALA 120 Cb -0.13 0.70 0.08 0.00 0.00 0.00 0.00 23.12 23.76 1a6x s ALA 120 CO 0.04 -1.08 0.32 0.00 0.00 0.00 0.00 175.76 175.05 1a6x n MET 121 N -0.66 -1.62 -4.20 0.00 0.00 -1.26 0.31 117.12 109.69 1a6x n MET 121 Ca -0.03 0.20 -0.32 0.00 0.00 0.00 0.00 57.70 57.55 1a6x n MET 121 Cb 0.60 -4.22 -0.07 0.00 0.00 0.00 0.00 33.22 29.53 1a6x n MET 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1a6x n LYS 122 N -4.41 -1.33 -3.62 3.17 3.00 -1.26 -4.90 118.16 108.82 1a6x n LYS 122 Ca -0.17 0.16 -0.08 0.00 -0.00 0.00 0.00 58.31 58.22 1a6x n LYS 122 Cb 0.61 -3.65 -0.06 0.00 0.00 0.00 0.00 35.03 31.94 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 -7.20 0.42 -0.10 1.64 1.75 0.15 -5.15 119.30 110.81 1a6x s MET 123 Ca 0.07 0.28 -0.17 0.00 -1.25 0.00 0.00 55.69 54.62 1a6x s MET 123 Cb -0.04 0.20 -0.05 0.00 2.84 0.00 0.00 34.83 37.79 1a6x s MET 123 CO 0.97 -0.09 0.44 1.41 -0.65 0.00 0.00 175.02 177.10 1a6x s MET 124 N -0.45 4.27 0.12 4.11 1.75 -1.26 -1.46 119.30 126.37 1a6x s MET 124 Ca 0.03 0.40 0.08 0.00 -1.25 0.00 0.00 55.69 54.95 1a6x s MET 124 Cb -0.03 -3.40 -0.04 0.00 2.84 0.00 0.00 34.83 34.20 1a6x s MET 124 CO -0.05 0.25 -0.20 -0.80 -0.65 0.00 0.00 175.02 173.57 1a6x s ASN 125 N 0.33 2.56 0.14 1.11 0.01 -0.25 -5.01 114.94 113.83 1a6x s ASN 125 Ca 0.24 -0.73 0.05 0.00 -0.71 0.00 0.00 52.86 51.72 1a6x s ASN 125 Cb -0.15 -0.14 -0.04 0.00 0.41 0.00 0.00 41.25 41.33 1a6x s ASN 125 CO 0.10 0.03 0.07 -1.10 -1.51 0.00 0.00 177.10 174.69 1a6x s GLN 126 N -2.13 2.71 -0.24 -0.60 -0.21 -1.26 -0.05 119.66 117.89 1a6x s GLN 126 Ca 0.09 -0.90 -0.02 0.00 0.02 0.00 0.00 55.36 54.54 1a6x s GLN 126 Cb -0.09 -2.56 0.02 0.00 1.00 0.00 0.00 33.01 31.38 1a6x s GLN 126 CO 0.05 0.50 -0.07 0.42 -2.12 0.00 0.00 175.29 174.07 1a6x s ILE 127 N -1.63 2.91 -0.24 1.08 -1.09 -0.23 -4.86 121.20 117.14 1a6x s ILE 127 Ca 0.29 -0.91 -0.15 0.00 -2.23 0.00 0.00 60.65 57.65 1a6x s ILE 127 Cb -0.10 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 1a6x s ILE 127 CO 0.21 0.27 0.36 -0.70 -1.23 0.00 0.00 174.94 173.85 1a6x s GLU 128 N 1.35 4.07 0.07 2.79 -6.30 -1.26 0.02 118.70 119.45 1a6x s GLU 128 Ca 0.02 0.07 -0.36 0.00 -2.50 0.00 0.00 54.97 52.19 1a6x s GLU 128 Cb -0.16 -3.60 -0.19 0.00 0.00 0.00 0.00 34.13 30.18 1a6x s GLU 128 CO -0.05 -0.16 0.91 0.00 0.02 0.00 0.00 175.26 175.98 1a6x n ALA 129 N 4.94 -3.28 -0.50 6.30 0.00 0.68 -4.82 120.51 123.83 1a6x n ALA 129 Ca -0.09 0.55 0.05 0.00 0.00 0.00 0.00 53.44 53.95 1a6x n ALA 129 Cb 0.51 -1.73 0.11 0.00 0.00 0.00 0.00 19.45 18.34 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 1.68 2.54 -2.87 0.00 2.03 -1.26 -3.31 116.55 115.36 1a6x n ASP 130 Ca 0.19 -2.48 -0.02 0.00 0.52 0.00 0.00 54.79 53.00 1a6x n ASP 130 Cb 0.14 -0.25 0.01 0.00 -0.72 0.00 0.00 41.12 40.30 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1a6x s LYS 131 N -1.85 0.82 0.33 -0.67 3.01 -1.26 -5.04 119.74 115.09 1a6x s LYS 131 Ca 0.20 -0.66 -0.22 0.00 -1.01 0.00 0.00 55.97 54.28 1a6x s LYS 131 Cb 0.16 0.00 -0.16 0.00 -1.01 0.00 0.00 37.83 36.82 1a6x s LYS 131 CO 0.05 -1.07 0.21 -1.13 0.51 0.00 0.00 175.35 173.92 1a6x n SER 132 N 3.35 -2.32 0.00 2.83 3.41 -1.26 -4.90 113.62 114.73 1a6x n SER 132 Ca 0.14 0.88 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 1a6x n SER 132 Cb 0.58 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 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 2.16 -1.56 3.84 5.00 0.00 -0.19 -4.61 105.19 109.83 1a6x n GLY 133 Ca 0.13 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.69 2.52 0.70 2.61 2.01 -1.20 -0.29 115.64 119.30 1a6x s THR 134 Ca 0.00 -1.44 -0.16 0.00 0.31 0.00 0.00 61.69 60.40 1a6x s THR 134 Cb 0.00 -2.96 0.02 0.00 0.01 0.00 0.00 72.50 69.57 1a6x s THR 134 CO 0.00 0.00 1.25 0.54 -0.69 0.00 0.00 174.62 175.72 1a6x s VAL 135 N -2.52 2.13 0.00 3.82 0.11 -0.95 0.18 120.40 123.17 1a6x s VAL 135 Ca 0.46 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 1a6x s VAL 135 Cb -0.01 -2.81 0.00 0.00 -1.53 0.00 0.00 36.38 32.03 1a6x s VAL 135 CO 0.26 -0.03 0.00 1.17 -3.33 0.00 0.00 175.10 173.17 1a6x n LYS 136 N -2.41 0.00 0.00 1.54 0.00 0.77 -4.18 118.16 113.87 1a6x n LYS 136 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.46 1a6x n LYS 136 Cb 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 35.03 35.25 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 -2.44 0.00 -2.79 3.14 0.00 0.22 -4.94 120.51 113.70 1a6x n ALA 137 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1a6x n ALA 137 Cb 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 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 4.98 -0.25 0.00 1.09 -1.26 0.19 121.20 125.64 1a6x s ILE 138 Ca 0.00 0.03 -0.06 0.00 -1.10 0.00 0.00 60.65 59.52 1a6x s ILE 138 Cb 0.00 -3.25 -0.13 0.00 -1.06 0.00 0.00 42.46 38.02 1a6x s ILE 138 CO 0.00 0.47 -0.28 0.18 -0.10 0.00 0.00 174.94 175.21 1a6x n LEU 139 N 3.41 2.38 -4.76 2.97 4.77 -0.98 -4.95 117.00 119.84 1a6x n LEU 139 Ca -0.17 0.11 -0.40 0.00 -0.03 0.00 0.00 56.01 55.52 1a6x n LEU 139 Cb 0.52 -0.81 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 1a6x n LEU 139 CO 0.35 0.72 0.77 0.54 -1.33 0.00 0.00 177.39 178.44 1a6x s VAL 140 N -2.48 3.58 -0.16 4.08 0.11 -0.94 -5.03 120.40 119.56 1a6x s VAL 140 Ca -0.35 1.60 -0.08 0.00 -2.93 0.00 0.00 61.98 60.22 1a6x s VAL 140 Cb 0.11 -4.01 -0.04 0.00 -1.53 0.00 0.00 36.38 30.91 1a6x s VAL 140 CO 0.51 0.38 0.12 -1.61 -3.33 0.00 0.00 175.10 171.16 1a6x s GLU 141 N -1.41 3.82 -0.92 1.54 2.02 -1.26 -4.97 118.70 117.52 1a6x s GLU 141 Ca 0.44 -0.22 -0.22 0.00 0.02 0.00 0.00 54.97 54.99 1a6x s GLU 141 Cb -0.31 -3.27 -0.24 0.00 0.10 0.00 0.00 34.13 30.42 1a6x s GLU 141 CO 0.39 0.49 2.45 -1.13 0.02 0.00 0.00 175.26 177.48 1a6x n SER 142 N 2.89 0.07 0.00 -0.19 3.41 -1.26 0.19 113.62 118.73 1a6x n SER 142 Ca -0.18 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1a6x n SER 142 Cb 0.53 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1a6x n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6x n GLY 143 N 6.12 2.36 3.73 5.00 0.00 0.14 -4.82 105.19 117.72 1a6x n GLY 143 Ca 0.61 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 1.68 -1.55 1.61 3.00 0.50 -4.54 117.38 118.08 1a6x n GLN 144 Ca 0.00 0.62 -0.29 0.00 -0.01 0.00 0.00 57.00 57.31 1a6x n GLN 144 Cb 0.00 -2.52 0.11 0.00 0.00 0.00 0.00 30.24 27.83 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 -2.76 1.63 0.15 -1.09 0.04 -1.26 -1.01 135.00 130.70 1a6x s PRO 145 Ca 0.70 0.47 -0.10 0.00 0.04 0.00 0.00 61.00 62.11 1a6x s PRO 145 Cb -0.43 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 1a6x s PRO 145 CO 0.51 -1.90 0.30 0.14 0.04 0.00 0.00 177.00 176.09 1a6x s VAL 146 N -3.22 0.08 0.21 -0.36 -7.23 0.56 -4.69 120.40 105.75 1a6x s VAL 146 Ca 0.62 -1.22 -0.08 0.00 -1.81 0.00 0.00 61.98 59.49 1a6x s VAL 146 Cb -0.15 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 1a6x s VAL 146 CO 0.54 -0.35 0.30 -1.83 -0.31 0.00 0.00 175.10 173.45 1a6x s GLU 147 N -3.93 1.32 0.28 4.82 -1.05 -1.26 -1.16 118.70 117.73 1a6x s GLU 147 Ca 0.13 -1.37 -0.30 0.00 -0.15 0.00 0.00 54.97 53.28 1a6x s GLU 147 Cb 0.03 0.37 -0.11 0.00 -0.44 0.00 0.00 34.13 33.99 1a6x s GLU 147 CO -0.03 -0.50 1.51 0.12 0.95 0.00 0.00 175.26 177.31 1a6x s PHE 148 N -4.05 2.86 0.00 4.83 5.36 -1.25 -1.13 117.98 124.60 1a6x s PHE 148 Ca 0.27 0.93 0.00 0.00 -0.96 0.00 0.00 56.93 57.17 1a6x s PHE 148 Cb 0.03 -3.95 0.00 0.00 -0.34 0.00 0.00 43.02 38.76 1a6x s PHE 148 CO 0.08 -3.10 0.00 -0.40 -1.46 0.00 0.00 175.22 170.34 1a6x n ASP 149 N 2.08 0.00 -4.81 6.13 5.68 -1.26 -5.01 116.55 119.36 1a6x n ASP 149 Ca 0.07 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.99 1a6x n ASP 149 Cb 0.39 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.31 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1a6x s GLU 150 N -0.22 4.26 0.66 0.11 -6.30 -0.29 -4.92 118.70 112.01 1a6x s GLU 150 Ca 0.00 0.85 -0.12 0.00 -2.50 0.00 0.00 54.97 53.20 1a6x s GLU 150 Cb 0.00 -2.98 -0.01 0.00 0.00 0.00 0.00 34.13 31.14 1a6x s GLU 150 CO 0.00 0.46 1.06 -1.25 0.02 0.00 0.00 175.26 175.55 1a6x s PRO 151 N -1.75 3.07 0.00 4.30 0.04 -1.26 0.21 135.00 139.61 1a6x s PRO 151 Ca 0.40 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1a6x s PRO 151 Cb -0.18 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1a6x s PRO 151 CO 0.21 -1.00 0.00 1.28 0.04 0.00 0.00 177.00 177.53 1a6x n LEU 152 N -2.80 0.00 -4.00 -3.56 4.77 0.18 -4.57 117.00 107.03 1a6x n LEU 152 Ca 0.08 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.88 1a6x n LEU 152 Cb 0.53 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.48 1a6x n LEU 152 CO 0.53 0.00 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.48 1a6x s VAL 153 N 0.00 0.63 -0.20 4.08 1.01 -1.25 -2.21 120.40 122.46 1a6x s VAL 153 Ca 0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 1a6x s VAL 153 Cb 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1a6x s VAL 153 CO 0.00 0.18 0.52 -0.69 0.00 0.00 0.00 175.10 175.12 1a6x s VAL 154 N -0.11 5.10 0.29 2.92 1.01 0.50 -1.80 120.40 128.30 1a6x s VAL 154 Ca 0.02 0.96 0.10 0.00 0.00 0.00 0.00 61.98 63.06 1a6x s VAL 154 Cb -0.04 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1a6x s VAL 154 CO -0.00 0.17 -0.03 -0.63 0.00 0.00 0.00 175.10 174.61 1a6x s ILE 155 N 1.68 3.06 0.00 2.22 1.09 -0.34 -0.16 121.20 128.75 1a6x s ILE 155 Ca 0.24 -2.01 0.00 0.00 -1.10 0.00 0.00 60.65 57.78 1a6x s ILE 155 Cb -0.15 -2.74 0.00 0.00 -1.06 0.00 0.00 42.46 38.51 1a6x s ILE 155 CO 0.10 -0.33 0.00 1.21 -0.10 0.00 0.00 174.94 175.82