#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 -1.60 -1.55 0.03 1.02 -1.26 -4.42 120.64 112.85 1a6x n GLU 71 Ca 0.00 1.23 0.08 0.00 -0.02 0.00 0.00 57.16 58.45 1a6x n GLU 71 Cb 0.00 -5.62 -0.04 0.00 -0.02 0.00 0.00 31.44 25.76 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a6x n ALA 72 N -2.27 -2.85 0.04 0.62 0.00 -1.26 -4.25 120.51 110.54 1a6x n ALA 72 Ca -0.03 0.71 -0.15 0.00 0.00 0.00 0.00 53.44 53.98 1a6x n ALA 72 Cb 0.54 -1.55 -0.05 0.00 0.00 0.00 0.00 19.45 18.39 1a6x n ALA 72 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1a6x h PRO 73 N -0.57 0.54 -0.65 0.00 0.13 -1.85 -3.32 132.00 126.27 1a6x h PRO 73 Ca -0.09 -0.53 0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1a6x h PRO 73 Cb 1.18 0.14 -0.08 0.00 0.13 0.00 0.00 31.00 32.37 1a6x h PRO 73 CO 0.04 1.16 -0.41 0.00 -0.23 0.00 0.00 178.00 178.56 1a6x h ALA 74 N 0.67 -0.41 -1.59 -0.56 0.00 -1.86 -3.41 119.26 112.10 1a6x h ALA 74 Ca -0.08 0.07 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1a6x h ALA 74 Cb 1.52 1.24 -0.02 0.00 0.00 0.00 0.00 17.79 20.53 1a6x h ALA 74 CO 0.16 -0.69 -0.37 0.00 0.00 0.00 0.00 179.25 178.36 1a6x s ALA 75 N -5.04 4.11 -0.10 0.00 0.00 -1.25 -4.91 121.76 114.57 1a6x s ALA 75 Ca -0.08 -1.78 -0.08 0.00 0.00 0.00 0.00 51.96 50.02 1a6x s ALA 75 Cb 0.07 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 22.03 1a6x s ALA 75 CO 0.43 -0.18 0.15 0.00 0.00 0.00 0.00 175.76 176.17 1a6x n ALA 76 N -1.57 -3.00 -0.87 0.00 0.00 -1.26 -4.55 120.51 109.25 1a6x n ALA 76 Ca 0.03 1.67 0.04 0.00 0.00 0.00 0.00 53.44 55.18 1a6x n ALA 76 Cb 0.61 -3.48 -0.02 0.00 0.00 0.00 0.00 19.45 16.55 1a6x n ALA 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a6x n GLU 77 N 1.80 -2.19 -0.01 0.00 2.13 -1.26 -4.75 120.64 116.36 1a6x n GLU 77 Ca -0.26 1.73 -0.00 0.00 0.66 0.00 0.00 57.16 59.29 1a6x n GLU 77 Cb 0.40 -2.28 -0.00 0.00 0.27 0.00 0.00 31.44 29.83 1a6x n GLU 77 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1a6x h ILE 78 N -0.28 0.00 -0.64 6.31 2.04 -1.90 -3.45 117.51 119.59 1a6x h ILE 78 Ca -0.05 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1a6x h ILE 78 Cb 0.65 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1a6x h ILE 78 CO 0.02 0.00 0.00 -0.24 0.00 0.00 0.00 178.15 177.93 1a6x n SER 79 N -2.45 -1.60 -1.90 1.72 2.88 -1.26 -4.75 113.62 106.25 1a6x n SER 79 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1a6x n SER 79 Cb 0.01 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1a6x n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a6x n GLY 80 N -0.65 -5.20 3.60 0.46 0.00 -1.26 -5.03 105.19 97.11 1a6x n GLY 80 Ca 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.76 2.67 -0.15 1.61 5.04 0.57 -4.95 115.29 119.32 1a6x s HIS 81 Ca 0.00 -0.21 -0.01 0.00 -1.54 0.00 0.00 55.06 53.30 1a6x s HIS 81 Cb 0.00 -1.26 0.04 0.00 0.04 0.00 0.00 32.58 31.40 1a6x s HIS 81 CO 0.00 0.55 -0.04 0.42 -2.34 0.00 0.00 174.74 173.33 1a6x s ILE 82 N -1.93 0.94 -0.24 0.89 1.09 -1.26 0.00 121.20 120.69 1a6x s ILE 82 Ca 0.27 -0.46 -0.26 0.00 -1.10 0.00 0.00 60.65 59.10 1a6x s ILE 82 Cb -0.08 -1.12 0.00 0.00 -1.06 0.00 0.00 42.46 40.20 1a6x s ILE 82 CO 0.17 0.15 0.91 -0.69 -0.10 0.00 0.00 174.94 175.39 1a6x s VAL 83 N 1.72 4.77 -0.16 2.92 1.01 -0.32 -4.97 120.40 125.38 1a6x s VAL 83 Ca 0.02 1.75 -0.02 0.00 0.00 0.00 0.00 61.98 63.73 1a6x s VAL 83 Cb -0.15 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1a6x s VAL 83 CO -0.07 -0.12 -0.08 -0.13 0.00 0.00 0.00 175.10 174.70 1a6x s ARG 84 N 2.99 3.49 -0.50 2.72 0.52 -1.26 0.12 118.95 127.03 1a6x s ARG 84 Ca 0.38 -0.61 -0.33 0.00 -0.52 0.00 0.00 55.73 54.65 1a6x s ARG 84 Cb -0.15 -2.81 -0.13 0.00 0.52 0.00 0.00 34.95 32.38 1a6x s ARG 84 CO 0.07 0.15 2.32 -1.13 0.02 0.00 0.00 175.30 176.73 1a6x n SER 85 N 3.76 1.77 0.00 0.23 3.41 0.14 -4.74 113.62 118.19 1a6x n SER 85 Ca -0.18 0.21 0.11 0.00 -0.26 0.00 0.00 58.87 58.76 1a6x n SER 85 Cb 0.52 -1.25 0.68 0.00 -0.26 0.00 0.00 64.21 63.91 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 8.37 0.75 -3.64 4.33 -0.04 -1.26 -3.09 135.00 140.42 1a6x n PRO 86 Ca 0.46 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.85 1a6x n PRO 86 Cb 0.24 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.52 0.33 0.54 0.23 -1.26 -4.98 119.30 112.68 1a6x s MET 87 Ca 0.34 0.76 -0.29 0.00 -1.03 0.00 0.00 55.69 55.48 1a6x s MET 87 Cb 0.16 0.18 -0.11 0.00 -1.53 0.00 0.00 34.83 33.53 1a6x s MET 87 CO 0.27 -0.09 1.48 0.08 -2.03 0.00 0.00 175.02 174.73 1a6x s VAL 88 N 0.91 2.26 -1.53 5.16 1.01 -1.26 -4.72 120.40 122.22 1a6x s VAL 88 Ca -0.04 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1a6x s VAL 88 Cb -0.04 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1a6x s VAL 88 CO -0.11 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1a6x n GLY 89 N 1.20 -0.70 3.11 4.51 0.00 -0.43 -4.67 105.19 108.20 1a6x n GLY 89 Ca 0.03 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.00 1.94 -0.02 2.61 2.01 0.36 -0.21 115.64 118.33 1a6x s THR 90 Ca 0.00 -0.88 -0.24 0.00 0.31 0.00 0.00 61.69 60.89 1a6x s THR 90 Cb 0.00 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 1a6x s THR 90 CO 0.00 0.52 0.72 0.12 -0.69 0.00 0.00 174.62 175.29 1a6x s PHE 91 N 1.23 3.65 0.02 4.92 2.19 -0.23 0.07 117.98 129.83 1a6x s PHE 91 Ca 0.02 1.34 0.05 0.00 0.33 0.00 0.00 56.93 58.67 1a6x s PHE 91 Cb -0.13 -2.80 -0.02 0.00 -1.31 0.00 0.00 43.02 38.76 1a6x s PHE 91 CO -0.10 0.18 -0.15 0.71 1.83 0.00 0.00 175.22 177.69 1a6x s TYR 92 N 0.38 1.33 -0.53 10.12 2.02 0.39 0.66 117.35 131.72 1a6x s TYR 92 Ca 0.38 -0.30 0.23 0.00 -0.37 0.00 0.00 57.07 57.00 1a6x s TYR 92 Cb -0.19 -0.82 0.07 0.00 -0.40 0.00 0.00 41.96 40.62 1a6x s TYR 92 CO 0.20 0.01 1.05 0.54 -1.57 0.00 0.00 175.55 175.79 1a6x n ARG 93 N 2.28 0.35 -4.20 -0.62 5.12 -1.26 -0.70 116.66 117.64 1a6x n ARG 93 Ca -0.16 0.02 -0.15 0.00 -1.93 0.00 0.00 57.85 55.63 1a6x n ARG 93 Cb 0.55 -1.64 -0.11 0.00 -1.16 0.00 0.00 32.46 30.10 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 -3.23 1.05 0.19 0.55 -4.23 -1.26 -1.30 115.64 107.41 1a6x s THR 94 Ca 0.03 -1.69 0.11 0.00 -1.18 0.00 0.00 61.69 58.96 1a6x s THR 94 Cb 0.13 -1.43 -0.06 0.00 1.34 0.00 0.00 72.50 72.48 1a6x s THR 94 CO 0.79 -0.54 1.52 1.55 -0.54 0.00 0.00 174.62 177.40 1a6x h PRO 95 N 3.50 0.00 -4.63 3.99 0.13 -1.89 -3.47 132.00 129.63 1a6x h PRO 95 Ca -0.38 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.35 1a6x h PRO 95 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 1a6x h PRO 95 CO 0.53 0.70 -0.40 -1.12 -0.23 0.00 0.00 178.00 177.48 1a6x s SER 96 N -6.74 1.37 -0.06 1.44 0.01 -1.26 -5.06 113.70 103.40 1a6x s SER 96 Ca -0.00 -1.66 -0.25 0.00 1.31 0.00 0.00 55.95 55.35 1a6x s SER 96 Cb 0.11 0.59 -0.23 0.00 0.21 0.00 0.00 66.02 66.70 1a6x s SER 96 CO 0.77 -1.13 1.04 1.55 0.41 0.00 0.00 173.24 175.88 1a6x h PRO 97 N 2.15 0.12 -1.45 12.44 0.13 -1.98 -3.27 132.00 140.14 1a6x h PRO 97 Ca -0.26 -0.12 -0.57 0.00 -0.87 0.00 0.00 66.00 64.17 1a6x h PRO 97 Cb 1.23 0.03 -0.23 0.00 0.13 0.00 0.00 31.00 32.17 1a6x h PRO 97 CO 0.38 0.85 0.71 -3.47 -0.23 0.00 0.00 178.00 176.24 1a6x n ASP 98 N -4.58 7.16 -4.25 1.44 2.03 -1.26 -4.90 116.55 112.19 1a6x n ASP 98 Ca -0.09 -3.51 -0.23 0.00 0.52 0.00 0.00 54.79 51.48 1a6x n ASP 98 Cb 0.45 -1.05 -0.13 0.00 -0.72 0.00 0.00 41.12 39.67 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a6x s ALA 99 N -3.00 1.62 1.17 -1.67 0.00 -1.23 -5.14 121.76 113.51 1a6x s ALA 99 Ca 0.52 -1.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.23 1a6x s ALA 99 Cb 0.40 -0.23 0.29 0.00 0.00 0.00 0.00 23.12 23.59 1a6x s ALA 99 CO -0.11 0.32 1.03 0.15 0.00 0.00 0.00 175.76 177.15 1a6x s LYS 100 N -1.68 -0.99 -0.02 0.00 1.02 -1.26 -4.79 119.74 112.02 1a6x s LYS 100 Ca 0.05 0.81 -0.22 0.00 0.02 0.00 0.00 55.97 56.62 1a6x s LYS 100 Cb -0.10 -1.55 -0.05 0.00 -0.52 0.00 0.00 37.83 35.62 1a6x s LYS 100 CO 0.03 -3.76 0.66 0.00 -0.92 0.00 0.00 175.35 171.35 1a6x s ALA 101 N -2.47 3.42 0.28 5.17 0.00 -1.26 -4.48 121.76 122.42 1a6x s ALA 101 Ca 0.68 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.76 1a6x s ALA 101 Cb -0.25 -2.85 0.60 0.00 0.00 0.00 0.00 23.12 20.62 1a6x s ALA 101 CO 0.65 0.06 1.78 0.74 0.00 0.00 0.00 175.76 178.99 1a6x h PHE 102 N 6.00 0.96 -2.84 0.00 0.04 -1.55 -3.37 116.94 116.18 1a6x h PHE 102 Ca -0.44 0.03 -0.42 0.00 2.80 0.00 0.00 57.97 59.95 1a6x h PHE 102 Cb 1.20 -0.29 -0.39 0.00 2.20 0.00 0.00 35.95 38.67 1a6x h PHE 102 CO 0.65 0.27 -0.71 0.96 -0.60 0.00 0.00 178.31 178.87 1a6x s ILE 103 N -5.93 -0.16 -0.13 -0.55 -5.25 -1.26 -4.93 121.20 102.98 1a6x s ILE 103 Ca -0.12 -0.22 -0.22 0.00 -0.99 0.00 0.00 60.65 59.09 1a6x s ILE 103 Cb 0.23 -0.66 -0.03 0.00 2.95 0.00 0.00 42.46 44.95 1a6x s ILE 103 CO 0.79 -0.31 0.68 -1.83 -1.79 0.00 0.00 174.94 172.48 1a6x s GLU 104 N 2.20 4.33 -0.49 0.37 -1.05 -1.26 -4.95 118.70 117.84 1a6x s GLU 104 Ca 0.04 0.78 -0.46 0.00 -0.15 0.00 0.00 54.97 55.18 1a6x s GLU 104 Cb -0.16 -3.51 -0.19 0.00 -0.44 0.00 0.00 34.13 29.82 1a6x s GLU 104 CO -0.14 -0.10 1.80 0.28 0.95 0.00 0.00 175.26 178.06 1a6x n VAL 105 N 4.25 0.01 0.00 1.83 0.31 -1.26 -1.12 118.33 122.35 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 0.50 -0.53 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 5.29 1.33 3.69 2.92 0.00 -1.26 -5.12 105.19 112.04 1a6x n GLY 106 Ca 0.40 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.25 2.14 0.49 1.61 0.74 -0.27 -4.99 119.66 119.14 1a6x s GLN 107 Ca 0.00 -1.84 0.05 0.00 0.05 0.00 0.00 55.36 53.62 1a6x s GLN 107 Cb 0.00 -1.92 -0.00 0.00 1.10 0.00 0.00 33.01 32.19 1a6x s GLN 107 CO 0.00 -0.01 0.26 -1.59 -0.55 0.00 0.00 175.29 173.40 1a6x s LYS 108 N -3.81 2.25 -0.11 1.67 -2.85 -1.26 -2.42 119.74 113.21 1a6x s LYS 108 Ca 0.38 -2.02 -0.14 0.00 -1.00 0.00 0.00 55.97 53.19 1a6x s LYS 108 Cb 0.03 -1.97 0.04 0.00 -2.06 0.00 0.00 37.83 33.87 1a6x s LYS 108 CO 0.21 -0.40 0.38 0.14 0.10 0.00 0.00 175.35 175.78 1a6x s VAL 109 N -2.73 0.01 0.08 1.79 -7.23 0.27 -4.97 120.40 107.62 1a6x s VAL 109 Ca 0.31 -0.11 0.07 0.00 -1.81 0.00 0.00 61.98 60.45 1a6x s VAL 109 Cb 0.00 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 1a6x s VAL 109 CO 0.18 -0.06 -0.20 0.20 -0.31 0.00 0.00 175.10 174.92 1a6x s ASN 110 N -0.20 2.36 -0.54 4.85 0.01 -1.26 -0.85 114.94 119.31 1a6x s ASN 110 Ca -0.04 -0.61 -0.42 0.00 -0.71 0.00 0.00 52.86 51.08 1a6x s ASN 110 Cb -0.03 -0.15 -0.19 0.00 0.41 0.00 0.00 41.25 41.29 1a6x s ASN 110 CO 0.02 0.07 2.20 0.52 -1.51 0.00 0.00 177.10 178.40 1a6x n VAL 111 N 1.39 0.01 0.00 1.60 0.31 -1.26 0.11 118.33 120.49 1a6x n VAL 111 Ca -0.19 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1a6x n VAL 111 Cb 0.54 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 7.37 1.13 3.60 2.92 0.00 -1.25 -5.04 105.19 113.92 1a6x n GLY 112 Ca 0.56 0.00 -0.34 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 -0.61 5.00 0.40 1.61 1.11 0.12 -4.92 116.67 119.37 1a6x s ASP 113 Ca 0.00 0.03 -0.27 0.00 0.18 0.00 0.00 52.55 52.49 1a6x s ASP 113 Cb 0.00 -1.53 -0.10 0.00 1.07 0.00 0.00 42.92 42.37 1a6x s ASP 113 CO 0.00 0.30 1.40 -0.89 1.18 0.00 0.00 175.17 177.16 1a6x s THR 114 N -0.43 2.29 -0.08 -1.27 2.01 -1.26 -0.43 115.64 116.46 1a6x s THR 114 Ca 0.07 0.27 0.05 0.00 0.31 0.00 0.00 61.69 62.39 1a6x s THR 114 Cb -0.12 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.14 1a6x s THR 114 CO 0.02 0.05 -0.01 -0.11 -0.69 0.00 0.00 174.62 173.89 1a6x n LEU 115 N 0.25 0.87 0.00 4.42 -0.00 0.12 -4.71 117.00 117.96 1a6x n LEU 115 Ca 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 1a6x n LEU 115 Cb 0.41 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1a6x n LEU 115 CO 0.60 0.32 0.00 0.00 -0.00 0.00 0.00 177.39 178.31 1a6x s ILE 117 N -2.00 0.29 -0.06 0.00 1.01 0.12 -0.07 121.20 120.49 1a6x s ILE 117 Ca 0.00 -1.47 -0.01 0.00 0.00 0.00 0.00 60.65 59.18 1a6x s ILE 117 Cb 0.00 -1.05 0.03 0.00 0.01 0.00 0.00 42.46 41.45 1a6x s ILE 117 CO 0.00 -0.76 -0.01 -0.69 0.00 0.00 0.00 174.94 173.49 1a6x s VAL 118 N -2.82 0.39 -0.25 2.92 1.01 0.13 -0.46 120.40 121.32 1a6x s VAL 118 Ca -0.01 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 1a6x s VAL 118 Cb -0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1a6x s VAL 118 CO -0.05 0.24 0.33 -0.70 0.00 0.00 0.00 175.10 174.92 1a6x s GLU 119 N 1.66 4.06 0.19 2.72 2.12 0.11 0.22 118.70 129.78 1a6x s GLU 119 Ca 0.00 -0.00 -0.23 0.00 0.36 0.00 0.00 54.97 55.10 1a6x s GLU 119 Cb -0.13 -3.61 0.06 0.00 0.26 0.00 0.00 34.13 30.71 1a6x s GLU 119 CO -0.04 -0.15 0.92 0.00 -0.54 0.00 0.00 175.26 175.46 1a6x s ALA 120 N 1.67 -1.52 -1.63 6.30 0.00 -0.51 -0.49 121.76 125.58 1a6x s ALA 120 Ca 0.14 -0.07 -0.09 0.00 0.00 0.00 0.00 51.96 51.94 1a6x s ALA 120 Cb -0.15 0.69 0.09 0.00 0.00 0.00 0.00 23.12 23.75 1a6x s ALA 120 CO 0.09 -1.04 0.35 0.00 0.00 0.00 0.00 175.76 175.15 1a6x n MET 121 N -0.50 -1.65 -4.21 0.00 0.00 -1.26 0.28 117.12 109.77 1a6x n MET 121 Ca -0.05 0.20 -0.32 0.00 0.00 0.00 0.00 57.70 57.52 1a6x n MET 121 Cb 0.60 -4.28 -0.07 0.00 0.00 0.00 0.00 33.22 29.48 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 -4.39 -1.23 -3.58 3.17 3.00 -1.26 -4.89 118.16 108.98 1a6x n LYS 122 Ca -0.15 0.15 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 1a6x n LYS 122 Cb 0.60 -3.59 -0.03 0.00 0.00 0.00 0.00 35.03 32.01 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 -7.23 0.46 0.26 1.64 1.75 0.14 -5.16 119.30 111.17 1a6x s MET 123 Ca 0.08 -0.05 -0.22 0.00 -1.25 0.00 0.00 55.69 54.25 1a6x s MET 123 Cb -0.04 0.22 -0.09 0.00 2.84 0.00 0.00 34.83 37.75 1a6x s MET 123 CO 0.98 -0.18 0.81 -1.64 -0.65 0.00 0.00 175.02 174.34 1a6x s MET 124 N -1.94 4.38 -0.34 4.11 -1.94 -1.26 -1.43 119.30 120.88 1a6x s MET 124 Ca 0.05 1.04 -0.01 0.00 -1.71 0.00 0.00 55.69 55.06 1a6x s MET 124 Cb -0.01 -2.84 0.13 0.00 2.01 0.00 0.00 34.83 34.12 1a6x s MET 124 CO -0.04 0.34 0.19 -0.80 -0.01 0.00 0.00 175.02 174.70 1a6x s ASN 125 N -1.65 3.18 0.79 3.03 0.01 0.13 -4.94 114.94 115.48 1a6x s ASN 125 Ca 0.46 -1.93 -0.13 0.00 -0.71 0.00 0.00 52.86 50.55 1a6x s ASN 125 Cb -0.17 -0.41 0.07 0.00 0.41 0.00 0.00 41.25 41.14 1a6x s ASN 125 CO 0.22 -0.35 1.15 -1.10 -1.51 0.00 0.00 177.10 175.51 1a6x s GLN 126 N 1.35 1.90 -0.23 -0.60 -0.21 -1.26 0.22 119.66 120.83 1a6x s GLN 126 Ca 0.15 1.54 -0.00 0.00 0.02 0.00 0.00 55.36 57.07 1a6x s GLN 126 Cb -0.21 -1.83 0.03 0.00 1.00 0.00 0.00 33.01 32.00 1a6x s GLN 126 CO -0.10 -1.97 -0.11 0.42 -2.12 0.00 0.00 175.29 171.40 1a6x s ILE 127 N -2.41 2.53 -0.21 1.08 -1.09 0.90 -4.79 121.20 117.21 1a6x s ILE 127 Ca 0.69 -1.08 -0.13 0.00 -2.23 0.00 0.00 60.65 57.90 1a6x s ILE 127 Cb -0.24 -2.25 -0.05 0.00 -1.58 0.00 0.00 42.46 38.34 1a6x s ILE 127 CO 0.51 0.27 0.27 -0.70 -1.23 0.00 0.00 174.94 174.06 1a6x s GLU 128 N 1.28 4.14 0.07 2.79 2.56 -1.26 0.16 118.70 128.44 1a6x s GLU 128 Ca 0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 54.97 54.58 1a6x s GLU 128 Cb -0.16 -3.51 -0.19 0.00 2.00 0.00 0.00 34.13 32.27 1a6x s GLU 128 CO -0.07 0.06 0.91 0.00 -0.56 0.00 0.00 175.26 175.61 1a6x n ALA 129 N 4.21 -3.28 -0.64 6.30 0.00 0.42 -4.84 120.51 122.68 1a6x n ALA 129 Ca -0.12 0.55 0.06 0.00 0.00 0.00 0.00 53.44 53.93 1a6x n ALA 129 Cb 0.52 -1.73 0.12 0.00 0.00 0.00 0.00 19.45 18.35 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 2.54 -2.80 0.00 5.75 -1.26 -3.89 116.55 118.57 1a6x n ASP 130 Ca 0.19 -2.64 0.01 0.00 -0.01 0.00 0.00 54.79 52.35 1a6x n ASP 130 Cb 0.14 -0.30 0.01 0.00 -1.03 0.00 0.00 41.12 39.94 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 -2.11 0.24 0.17 0.11 2.20 -1.26 -5.05 119.74 114.04 1a6x s LYS 131 Ca 0.23 -0.09 -0.29 0.00 -0.36 0.00 0.00 55.97 55.46 1a6x s LYS 131 Cb 0.19 0.03 -0.17 0.00 -1.51 0.00 0.00 37.83 36.37 1a6x s LYS 131 CO 0.04 -0.34 0.57 -1.13 -0.36 0.00 0.00 175.35 174.13 1a6x n SER 132 N 3.68 -1.07 0.00 1.43 3.41 -1.26 -4.90 113.62 114.91 1a6x n SER 132 Ca 0.06 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 1a6x n SER 132 Cb 0.63 -0.92 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 1.88 -1.26 3.64 5.00 0.00 -0.03 -4.89 105.19 109.53 1a6x n GLY 133 Ca 0.18 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.49 3.37 0.98 2.61 2.01 -0.46 -0.56 115.64 121.10 1a6x s THR 134 Ca 0.00 -1.93 -0.14 0.00 0.31 0.00 0.00 61.69 59.92 1a6x s THR 134 Cb 0.00 -2.82 0.02 0.00 0.01 0.00 0.00 72.50 69.71 1a6x s THR 134 CO 0.00 -0.37 0.19 0.55 -0.69 0.00 0.00 174.62 174.30 1a6x n VAL 135 N -0.89 0.00 0.00 3.82 3.14 -1.01 0.18 118.33 123.57 1a6x n VAL 135 Ca -0.06 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 1a6x n VAL 135 Cb 0.59 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.83 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 -1.21 0.00 0.00 1.45 0.00 -0.19 -3.82 118.16 114.39 1a6x n LYS 136 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.36 1a6x n LYS 136 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 35.03 35.52 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 -2.31 0.00 -3.01 3.14 0.00 0.28 -4.95 120.51 113.65 1a6x n ALA 137 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 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 -0.30 4.37 -0.13 0.00 1.09 -1.26 0.19 121.20 125.15 1a6x s ILE 138 Ca 0.00 -0.16 -0.07 0.00 -1.10 0.00 0.00 60.65 59.33 1a6x s ILE 138 Cb 0.00 -3.03 -0.25 0.00 -1.06 0.00 0.00 42.46 38.12 1a6x s ILE 138 CO 0.00 0.36 0.31 0.18 -0.10 0.00 0.00 174.94 175.69 1a6x n LEU 139 N 4.66 2.64 -4.79 2.97 4.77 -0.99 -4.88 117.00 121.38 1a6x n LEU 139 Ca -0.16 0.19 -0.39 0.00 -0.03 0.00 0.00 56.01 55.62 1a6x n LEU 139 Cb 0.52 -1.10 -0.06 0.00 -2.33 0.00 0.00 43.42 40.45 1a6x n LEU 139 CO 0.32 0.84 0.36 0.54 -1.33 0.00 0.00 177.39 178.12 1a6x s VAL 140 N -2.55 4.61 0.06 4.08 0.11 -0.89 -5.07 120.40 120.75 1a6x s VAL 140 Ca -0.24 1.43 0.01 0.00 -2.93 0.00 0.00 61.98 60.25 1a6x s VAL 140 Cb 0.07 -4.00 -0.04 0.00 -1.53 0.00 0.00 36.38 30.87 1a6x s VAL 140 CO 0.75 0.53 0.13 -1.83 -3.33 0.00 0.00 175.10 171.34 1a6x s GLU 141 N -1.02 3.11 -0.77 1.54 -1.05 -1.26 -4.97 118.70 114.29 1a6x s GLU 141 Ca 0.32 -0.57 -0.29 0.00 -0.15 0.00 0.00 54.97 54.29 1a6x s GLU 141 Cb -0.21 -2.86 -0.15 0.00 -0.44 0.00 0.00 34.13 30.47 1a6x s GLU 141 CO 0.22 0.59 2.57 -1.13 0.95 0.00 0.00 175.26 178.46 1a6x n SER 142 N 0.50 1.21 0.00 0.83 3.41 -1.26 0.12 113.62 118.44 1a6x n SER 142 Ca -0.08 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1a6x n SER 142 Cb 0.52 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 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 6.27 2.16 3.64 5.00 0.00 0.21 -4.84 105.19 117.63 1a6x n GLY 143 Ca 0.53 -0.60 -0.46 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 1.74 -1.79 1.61 -0.06 0.33 -4.43 117.38 114.79 1a6x n GLN 144 Ca 0.00 0.62 -0.32 0.00 -2.00 0.00 0.00 57.00 55.30 1a6x n GLN 144 Cb 0.00 -2.22 0.03 0.00 -4.06 0.00 0.00 30.24 23.99 1a6x n GLN 144 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1a6x s PRO 145 N -0.46 3.13 0.07 3.69 0.04 -1.26 -1.06 135.00 139.15 1a6x s PRO 145 Ca 0.69 1.05 0.01 0.00 0.04 0.00 0.00 61.00 62.79 1a6x s PRO 145 Cb -0.71 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 1a6x s PRO 145 CO 0.51 -0.95 -0.06 0.14 0.04 0.00 0.00 177.00 176.68 1a6x s VAL 146 N -2.81 0.54 0.30 -0.36 -7.23 0.70 -4.77 120.40 106.77 1a6x s VAL 146 Ca 0.60 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 59.10 1a6x s VAL 146 Cb -0.15 -1.40 -0.06 0.00 0.56 0.00 0.00 36.38 35.33 1a6x s VAL 146 CO 0.47 -0.80 0.02 -0.70 -0.31 0.00 0.00 175.10 173.77 1a6x s GLU 147 N -3.37 1.59 0.13 4.82 2.12 -1.26 -1.32 118.70 121.41 1a6x s GLU 147 Ca 0.06 -1.85 -0.31 0.00 0.36 0.00 0.00 54.97 53.22 1a6x s GLU 147 Cb 0.03 -0.94 -0.09 0.00 0.26 0.00 0.00 34.13 33.38 1a6x s GLU 147 CO -0.05 -0.11 1.57 0.12 -0.54 0.00 0.00 175.26 176.25 1a6x s PHE 148 N -3.21 2.89 0.00 5.30 2.19 -1.26 -1.09 117.98 122.80 1a6x s PHE 148 Ca 0.33 0.58 0.00 0.00 0.33 0.00 0.00 56.93 58.18 1a6x s PHE 148 Cb 0.07 -3.90 0.00 0.00 -1.31 0.00 0.00 43.02 37.88 1a6x s PHE 148 CO 0.14 -3.40 0.00 -3.47 1.83 0.00 0.00 175.22 170.32 1a6x n ASP 149 N 4.49 -0.75 -4.87 6.13 -0.08 -1.18 -5.03 116.55 115.26 1a6x n ASP 149 Ca 0.14 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.11 1a6x n ASP 149 Cb 0.40 -0.12 -0.05 0.00 2.34 0.00 0.00 41.12 43.68 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 -0.22 3.83 0.73 -0.67 0.41 -0.25 -4.90 118.70 117.64 1a6x s GLU 150 Ca 0.00 0.38 -0.11 0.00 -0.41 0.00 0.00 54.97 54.83 1a6x s GLU 150 Cb 0.00 -2.55 0.03 0.00 -1.78 0.00 0.00 34.13 29.82 1a6x s GLU 150 CO 0.00 0.22 1.07 -1.25 -0.49 0.00 0.00 175.26 174.81 1a6x s PRO 151 N -3.08 2.65 0.00 0.39 0.04 -1.26 0.25 135.00 133.99 1a6x s PRO 151 Ca 0.49 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1a6x s PRO 151 Cb -0.11 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1a6x s PRO 151 CO 0.22 -1.27 0.00 1.28 0.04 0.00 0.00 177.00 177.27 1a6x n LEU 152 N -3.23 0.00 -4.04 -3.56 4.77 0.33 -4.53 117.00 106.74 1a6x n LEU 152 Ca 0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.89 1a6x n LEU 152 Cb 0.54 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.50 1a6x n LEU 152 CO 0.56 0.00 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.51 1a6x s VAL 153 N 0.00 0.63 -0.24 4.08 1.01 -1.21 -2.09 120.40 122.58 1a6x s VAL 153 Ca 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 1a6x s VAL 153 Cb 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1a6x s VAL 153 CO 0.00 -0.05 0.28 -0.69 0.00 0.00 0.00 175.10 174.64 1a6x s VAL 154 N -0.67 5.27 0.32 2.92 1.01 0.50 -1.17 120.40 128.57 1a6x s VAL 154 Ca -0.02 0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.44 1a6x s VAL 154 Cb -0.06 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1a6x s VAL 154 CO 0.00 0.26 0.22 -0.63 0.00 0.00 0.00 175.10 174.95 1a6x s ILE 155 N 1.49 3.59 -1.45 2.22 1.09 0.10 -0.56 121.20 127.68 1a6x s ILE 155 Ca 0.12 -1.49 0.12 0.00 -1.10 0.00 0.00 60.65 58.30 1a6x s ILE 155 Cb -0.15 -3.16 0.09 0.00 -1.06 0.00 0.00 42.46 38.19 1a6x s ILE 155 CO 0.08 -0.22 0.87 -1.84 -0.10 0.00 0.00 174.94 173.72