#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 -0.45 -3.07 2.12 0.28 -1.26 -4.91 120.64 113.35 1a6x n GLU 71 Ca 0.00 0.29 -0.01 0.00 -0.16 0.00 0.00 57.16 57.29 1a6x n GLU 71 Cb 0.00 -0.54 0.00 0.00 1.43 0.00 0.00 31.44 32.33 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1a6x n ALA 72 N -0.47 -2.50 -1.52 -1.84 0.00 -1.26 -5.00 120.51 107.91 1a6x n ALA 72 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 1a6x n ALA 72 Cb 0.10 -1.73 0.19 0.00 0.00 0.00 0.00 19.45 18.02 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 -3.08 0.07 -0.03 0.00 0.04 -1.26 -5.09 135.00 125.65 1a6x s PRO 73 Ca 0.02 -0.12 -0.30 0.00 0.04 0.00 0.00 61.00 60.65 1a6x s PRO 73 Cb -0.00 -1.75 0.11 0.00 0.04 0.00 0.00 34.50 32.90 1a6x s PRO 73 CO 0.75 -2.85 1.31 0.00 0.04 0.00 0.00 177.00 176.25 1a6x s ALA 74 N -3.42 -2.39 -0.03 8.56 0.00 -1.26 -5.13 121.76 118.09 1a6x s ALA 74 Ca 0.70 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 1a6x s ALA 74 Cb -0.09 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 1a6x s ALA 74 CO 0.54 -1.10 1.14 0.00 0.00 0.00 0.00 175.76 176.34 1a6x s ALA 75 N -2.18 3.41 0.15 0.00 0.00 -1.26 -4.87 121.76 117.02 1a6x s ALA 75 Ca 0.22 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.78 1a6x s ALA 75 Cb 0.03 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1a6x s ALA 75 CO -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 175.76 175.13 1a6x n ALA 76 N 4.75 3.00 -3.16 0.00 0.00 -1.26 -5.10 120.51 118.74 1a6x n ALA 76 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.59 1a6x n ALA 76 Cb 0.47 0.14 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.89 0.09 0.38 0.00 2.56 -1.26 -5.18 118.70 113.40 1a6x s GLU 77 Ca 0.00 0.17 0.02 0.00 0.00 0.00 0.00 54.97 55.16 1a6x s GLU 77 Cb 0.00 0.10 -0.01 0.00 2.00 0.00 0.00 34.13 36.22 1a6x s GLU 77 CO 0.00 -0.09 0.06 0.44 -0.56 0.00 0.00 175.26 175.11 1a6x n ILE 78 N 5.41 0.00 -3.71 -3.70 -0.00 -1.26 -5.12 119.36 110.98 1a6x n ILE 78 Ca -0.08 -1.98 -0.38 0.00 -0.00 0.00 0.00 62.75 60.30 1a6x n ILE 78 Cb 0.54 0.56 -0.12 0.00 -0.00 0.00 0.00 39.64 40.62 1a6x n ILE 78 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1a6x s SER 79 N -3.19 5.35 0.00 7.28 0.15 -1.26 -4.92 113.70 117.11 1a6x s SER 79 Ca 0.09 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.96 1a6x s SER 79 Cb 0.00 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1a6x s SER 79 CO 0.06 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1a6x n GLY 80 N 4.91 2.43 2.87 9.45 0.00 -1.25 -5.03 105.19 118.56 1a6x n GLY 80 Ca -0.14 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 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 2.41 -0.28 1.61 2.46 0.11 -4.95 115.29 116.65 1a6x s HIS 81 Ca 0.00 -2.03 -0.22 0.00 0.47 0.00 0.00 55.06 53.29 1a6x s HIS 81 Cb 0.00 -1.96 -0.01 0.00 -0.13 0.00 0.00 32.58 30.48 1a6x s HIS 81 CO 0.00 -0.85 0.69 0.42 -2.47 0.00 0.00 174.74 172.53 1a6x s ILE 82 N 1.38 4.91 0.00 0.89 1.09 -1.26 -0.88 121.20 127.33 1a6x s ILE 82 Ca 0.05 1.14 -0.30 0.00 -1.10 0.00 0.00 60.65 60.44 1a6x s ILE 82 Cb -0.18 -4.02 -0.06 0.00 -1.06 0.00 0.00 42.46 37.13 1a6x s ILE 82 CO -0.14 -0.09 1.54 -0.69 -0.10 0.00 0.00 174.94 175.45 1a6x s VAL 83 N 2.68 3.48 -0.30 2.92 1.01 0.15 -4.91 120.40 125.44 1a6x s VAL 83 Ca 0.29 0.82 -0.09 0.00 0.00 0.00 0.00 61.98 63.00 1a6x s VAL 83 Cb -0.15 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1a6x s VAL 83 CO 0.10 -0.02 0.12 -0.13 0.00 0.00 0.00 175.10 175.17 1a6x s ARG 84 N 2.90 3.34 -0.97 2.72 0.52 -1.26 0.45 118.95 126.66 1a6x s ARG 84 Ca 0.69 -0.70 -0.32 0.00 -0.52 0.00 0.00 55.73 54.88 1a6x s ARG 84 Cb -0.34 -3.48 -0.22 0.00 0.52 0.00 0.00 34.95 31.43 1a6x s ARG 84 CO 0.29 -0.38 2.67 0.45 0.02 0.00 0.00 175.30 178.35 1a6x n SER 85 N 4.95 0.34 0.00 0.23 2.88 0.14 -4.68 113.62 117.47 1a6x n SER 85 Ca -0.14 0.19 0.12 0.00 -1.33 0.00 0.00 58.87 57.70 1a6x n SER 85 Cb 0.49 -0.93 0.68 0.00 -0.75 0.00 0.00 64.21 63.71 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 8.46 0.75 -3.64 -1.46 -0.04 -1.26 -2.83 135.00 134.98 1a6x n PRO 86 Ca 0.65 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 64.06 1a6x n PRO 86 Cb 0.03 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 31.95 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 0.57 0.47 0.54 -1.94 -1.26 -5.01 119.30 110.68 1a6x s MET 87 Ca 0.35 0.97 -0.23 0.00 -1.71 0.00 0.00 55.69 55.06 1a6x s MET 87 Cb 0.16 0.13 -0.07 0.00 2.01 0.00 0.00 34.83 37.05 1a6x s MET 87 CO 0.27 -0.12 1.23 0.08 -0.01 0.00 0.00 175.02 176.47 1a6x s VAL 88 N 1.43 2.78 0.00 -6.03 1.01 -1.26 -4.72 120.40 113.61 1a6x s VAL 88 Ca -0.09 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1a6x s VAL 88 Cb -0.04 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1a6x s VAL 88 CO -0.17 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.55 1a6x n GLY 89 N 0.55 -0.08 3.39 4.51 0.00 -0.51 -4.71 105.19 108.34 1a6x n GLY 89 Ca 0.08 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 1.23 -0.01 2.61 2.01 0.14 -0.38 115.64 121.24 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 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 70.01 1a6x s THR 90 CO 0.00 -0.22 -0.03 0.12 -0.69 0.00 0.00 174.62 173.80 1a6x s PHE 91 N -3.28 0.38 0.09 4.92 2.19 0.03 -0.84 117.98 121.47 1a6x s PHE 91 Ca 0.31 -0.06 0.04 0.00 0.33 0.00 0.00 56.93 57.55 1a6x s PHE 91 Cb 0.06 -0.30 -0.03 0.00 -1.31 0.00 0.00 43.02 41.43 1a6x s PHE 91 CO 0.12 -0.05 -0.12 0.71 1.83 0.00 0.00 175.22 177.71 1a6x s TYR 92 N 0.22 1.14 -0.09 10.12 2.02 0.83 0.52 117.35 132.11 1a6x s TYR 92 Ca -0.02 -0.56 0.12 0.00 -0.37 0.00 0.00 57.07 56.24 1a6x s TYR 92 Cb -0.05 -0.62 -0.18 0.00 -0.40 0.00 0.00 41.96 40.70 1a6x s TYR 92 CO -0.00 0.04 0.30 0.54 -1.57 0.00 0.00 175.55 174.86 1a6x n ARG 93 N 0.86 0.75 -4.10 -0.62 1.74 -1.26 -1.19 116.66 112.84 1a6x n ARG 93 Ca -0.18 -0.10 -0.11 0.00 -0.77 0.00 0.00 57.85 56.69 1a6x n ARG 93 Cb 0.56 -1.26 -0.11 0.00 -1.02 0.00 0.00 32.46 30.63 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 -2.76 0.52 -0.41 0.55 -4.23 -1.26 -1.45 115.64 106.60 1a6x s THR 94 Ca -0.03 -1.45 0.27 0.00 -1.18 0.00 0.00 61.69 59.29 1a6x s THR 94 Cb 0.08 -1.06 0.31 0.00 1.34 0.00 0.00 72.50 73.17 1a6x s THR 94 CO 0.51 -0.64 1.77 1.55 -0.54 0.00 0.00 174.62 177.27 1a6x h PRO 95 N 3.81 0.00 -3.09 3.99 0.13 -1.89 -3.47 132.00 131.47 1a6x h PRO 95 Ca -0.35 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.74 1a6x h PRO 95 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1a6x h PRO 95 CO 0.52 0.00 0.23 0.45 -0.23 0.00 0.00 178.00 178.98 1a6x s SER 96 N -5.08 0.08 0.06 1.44 0.15 -1.26 -5.01 113.70 104.07 1a6x s SER 96 Ca 0.06 -1.17 -0.16 0.00 0.70 0.00 0.00 55.95 55.38 1a6x s SER 96 Cb 0.09 0.84 -0.21 0.00 -1.71 0.00 0.00 66.02 65.03 1a6x s SER 96 CO 0.54 -1.66 1.19 1.55 1.20 0.00 0.00 173.24 176.07 1a6x h PRO 97 N 2.01 0.61 -0.88 5.44 0.13 -1.97 -3.23 132.00 134.12 1a6x h PRO 97 Ca -0.32 -0.59 -0.54 0.00 -0.87 0.00 0.00 66.00 63.68 1a6x h PRO 97 Cb 1.25 0.15 -0.28 0.00 0.13 0.00 0.00 31.00 32.25 1a6x h PRO 97 CO 0.40 1.21 0.48 -0.40 -0.23 0.00 0.00 178.00 179.46 1a6x n ASP 98 N -4.04 5.31 -4.62 1.44 5.68 -1.26 -4.96 116.55 114.10 1a6x n ASP 98 Ca -0.10 -3.73 -0.23 0.00 -0.50 0.00 0.00 54.79 50.23 1a6x n ASP 98 Cb 0.75 -0.81 -0.08 0.00 -1.14 0.00 0.00 41.12 39.84 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a6x s ALA 99 N -3.54 3.12 1.15 2.12 0.00 -1.22 -5.12 121.76 118.27 1a6x s ALA 99 Ca 0.58 -1.75 -0.13 0.00 0.00 0.00 0.00 51.96 50.66 1a6x s ALA 99 Cb 0.47 -0.62 0.27 0.00 0.00 0.00 0.00 23.12 23.24 1a6x s ALA 99 CO 0.04 0.22 1.04 0.15 0.00 0.00 0.00 175.76 177.20 1a6x s LYS 100 N -3.67 -0.78 -0.12 0.00 1.02 -1.26 -4.80 119.74 110.14 1a6x s LYS 100 Ca 0.32 0.87 -0.02 0.00 0.02 0.00 0.00 55.97 57.16 1a6x s LYS 100 Cb -0.05 -1.57 -0.03 0.00 -0.52 0.00 0.00 37.83 35.66 1a6x s LYS 100 CO 0.19 -3.64 -0.03 0.00 -0.92 0.00 0.00 175.35 170.95 1a6x s ALA 101 N -2.49 3.10 0.29 5.17 0.00 -1.26 -4.26 121.76 122.31 1a6x s ALA 101 Ca 0.68 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.80 1a6x s ALA 101 Cb -0.25 -1.48 0.43 0.00 0.00 0.00 0.00 23.12 21.83 1a6x s ALA 101 CO 0.64 0.40 1.91 0.74 0.00 0.00 0.00 175.76 179.45 1a6x h PHE 102 N 5.93 0.95 -2.20 0.00 0.04 -1.58 -3.31 116.94 116.78 1a6x h PHE 102 Ca -0.41 -0.02 -0.58 0.00 2.80 0.00 0.00 57.97 59.76 1a6x h PHE 102 Cb 1.19 -0.30 -0.39 0.00 2.20 0.00 0.00 35.95 38.64 1a6x h PHE 102 CO 0.57 0.68 -0.99 0.44 -0.60 0.00 0.00 178.31 178.41 1a6x n ILE 103 N -4.36 -0.47 -1.84 -0.55 -5.35 -1.26 -4.78 119.36 100.75 1a6x n ILE 103 Ca 0.07 -3.97 -0.42 0.00 -0.27 0.00 0.00 62.75 58.15 1a6x n ILE 103 Cb 0.11 -1.88 -0.03 0.00 -1.74 0.00 0.00 39.64 36.10 1a6x n ILE 103 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1a6x s GLU 104 N -0.90 4.06 -0.49 6.28 2.12 -1.25 -4.82 118.70 123.70 1a6x s GLU 104 Ca 0.34 2.32 -0.46 0.00 0.36 0.00 0.00 54.97 57.54 1a6x s GLU 104 Cb 0.11 -4.10 -0.19 0.00 0.26 0.00 0.00 34.13 30.21 1a6x s GLU 104 CO -0.13 -1.02 1.80 0.28 -0.54 0.00 0.00 175.26 175.64 1a6x n VAL 105 N 5.75 0.02 0.00 3.70 0.31 -1.26 -0.18 118.33 126.66 1a6x n VAL 105 Ca 0.19 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1a6x n VAL 105 Cb 0.42 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 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 5.24 1.20 3.77 2.92 0.00 -1.26 -5.11 105.19 111.95 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 -0.51 2.26 0.39 1.61 0.74 0.75 -5.00 119.66 119.89 1a6x s GLN 107 Ca 0.00 -1.84 0.08 0.00 0.05 0.00 0.00 55.36 53.64 1a6x s GLN 107 Cb 0.00 -2.02 -0.07 0.00 1.10 0.00 0.00 33.01 32.01 1a6x s GLN 107 CO 0.00 -0.18 -0.03 0.15 -0.55 0.00 0.00 175.29 174.68 1a6x s LYS 108 N -3.97 1.91 -0.08 1.67 -0.14 -1.26 -3.06 119.74 114.81 1a6x s LYS 108 Ca 0.40 -2.05 -0.09 0.00 -1.36 0.00 0.00 55.97 52.88 1a6x s LYS 108 Cb 0.02 -1.67 0.02 0.00 -1.68 0.00 0.00 37.83 34.53 1a6x s LYS 108 CO 0.22 0.02 0.24 0.14 -0.76 0.00 0.00 175.35 175.21 1a6x s VAL 109 N -2.67 0.01 0.10 3.17 -7.23 -0.06 -5.00 120.40 108.72 1a6x s VAL 109 Ca 0.34 -0.07 0.09 0.00 -1.81 0.00 0.00 61.98 60.54 1a6x s VAL 109 Cb 0.07 -0.36 -0.04 0.00 0.56 0.00 0.00 36.38 36.62 1a6x s VAL 109 CO 0.18 -0.04 -0.24 0.20 -0.31 0.00 0.00 175.10 174.89 1a6x s ASN 110 N -0.04 2.87 -0.54 4.85 -0.87 -1.26 -0.80 114.94 119.15 1a6x s ASN 110 Ca -0.02 -0.69 -0.42 0.00 -1.57 0.00 0.00 52.86 50.16 1a6x s ASN 110 Cb -0.02 -0.18 -0.19 0.00 -0.02 0.00 0.00 41.25 40.83 1a6x s ASN 110 CO 0.01 0.12 2.19 0.52 -2.57 0.00 0.00 177.10 177.38 1a6x n VAL 111 N 1.12 0.01 0.00 1.60 0.31 -1.26 0.90 118.33 121.00 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 0.53 -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 1.77 3.78 2.92 0.00 -1.25 -5.04 105.19 114.74 1a6x n GLY 112 Ca 0.56 0.00 -0.39 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 -1.70 6.98 0.99 1.61 -0.00 0.26 -4.85 116.67 119.96 1a6x s ASP 113 Ca 0.00 1.16 -0.16 0.00 -0.00 0.00 0.00 52.55 53.55 1a6x s ASP 113 Cb 0.00 -2.35 0.07 0.00 -0.00 0.00 0.00 42.92 40.64 1a6x s ASP 113 CO 0.00 0.15 -0.13 0.41 -0.00 0.00 0.00 175.17 175.60 1a6x n THR 114 N 2.48 0.00 0.00 -1.27 -1.04 -1.26 -0.58 114.28 112.62 1a6x n THR 114 Ca -0.08 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1a6x n THR 114 Cb 0.51 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 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 -0.18 0.08 0.00 -4.42 7.94 0.50 -4.07 117.00 116.85 1a6x n LEU 115 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1a6x n LEU 115 Cb 0.47 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.42 1a6x n LEU 115 CO 0.33 -0.27 0.00 0.00 -1.11 0.00 0.00 177.39 176.35 1a6x s ILE 117 N -2.11 0.63 -0.07 0.00 1.01 -0.34 -0.05 121.20 120.27 1a6x s ILE 117 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1a6x s ILE 117 Cb 0.00 -0.65 0.02 0.00 0.01 0.00 0.00 42.46 41.84 1a6x s ILE 117 CO 0.00 -0.25 -0.11 -0.69 0.00 0.00 0.00 174.94 173.89 1a6x s VAL 118 N -1.12 1.07 -0.16 2.92 1.01 0.74 -0.12 120.40 124.75 1a6x s VAL 118 Ca -0.06 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 1a6x s VAL 118 Cb -0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1a6x s VAL 118 CO 0.01 0.35 0.13 -0.70 0.00 0.00 0.00 175.10 174.88 1a6x s GLU 119 N 0.86 3.78 0.25 2.72 2.12 -0.02 -1.01 118.70 127.40 1a6x s GLU 119 Ca -0.11 -0.19 0.03 0.00 0.36 0.00 0.00 54.97 55.07 1a6x s GLU 119 Cb -0.15 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 1a6x s GLU 119 CO 0.01 0.55 0.12 0.00 -0.54 0.00 0.00 175.26 175.40 1a6x n ALA 120 N 2.72 0.40 -1.35 6.30 0.00 0.57 0.25 120.51 129.41 1a6x n ALA 120 Ca -0.18 -1.33 -0.26 0.00 0.00 0.00 0.00 53.44 51.67 1a6x n ALA 120 Cb 0.54 0.94 -0.18 0.00 0.00 0.00 0.00 19.45 20.75 1a6x n ALA 120 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a6x n MET 121 N -0.54 0.00 -4.15 0.00 2.81 -1.26 -0.40 117.12 113.57 1a6x n MET 121 Ca -0.01 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.45 1a6x n MET 121 Cb 0.40 -1.07 -0.01 0.00 -0.71 0.00 0.00 33.22 31.82 1a6x n MET 121 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1a6x n LYS 122 N 6.00 -0.38 -3.65 0.03 2.85 -1.26 -4.93 118.16 116.82 1a6x n LYS 122 Ca 0.60 0.06 -0.06 0.00 -1.05 0.00 0.00 58.31 57.86 1a6x n LYS 122 Cb 0.09 -2.71 -0.07 0.00 -0.65 0.00 0.00 35.03 31.69 1a6x n LYS 122 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1a6x s MET 123 N -7.48 0.66 -0.25 -1.58 1.75 0.47 -5.14 119.30 107.72 1a6x s MET 123 Ca 0.37 1.23 -0.09 0.00 -1.25 0.00 0.00 55.69 55.95 1a6x s MET 123 Cb -0.21 0.25 -0.04 0.00 2.84 0.00 0.00 34.83 37.67 1a6x s MET 123 CO 0.98 -0.16 0.13 -1.64 -0.65 0.00 0.00 175.02 173.68 1a6x s MET 124 N 1.84 3.86 0.21 4.11 -1.94 -1.26 -0.32 119.30 125.80 1a6x s MET 124 Ca -0.09 -0.37 0.09 0.00 -1.71 0.00 0.00 55.69 53.60 1a6x s MET 124 Cb -0.06 -3.47 -0.05 0.00 2.01 0.00 0.00 34.83 33.26 1a6x s MET 124 CO -0.19 -0.10 -0.17 -0.80 -0.01 0.00 0.00 175.02 173.75 1a6x s ASN 125 N 1.46 2.85 0.37 3.03 0.01 -0.18 -5.02 114.94 117.46 1a6x s ASN 125 Ca 0.06 -0.97 0.08 0.00 -0.71 0.00 0.00 52.86 51.32 1a6x s ASN 125 Cb -0.15 -0.18 -0.06 0.00 0.41 0.00 0.00 41.25 41.27 1a6x s ASN 125 CO 0.06 -0.08 0.04 -1.10 -1.51 0.00 0.00 177.10 174.52 1a6x s GLN 126 N -3.35 2.07 -0.16 -0.60 -0.21 -1.26 -0.18 119.66 115.96 1a6x s GLN 126 Ca 0.22 -1.86 -0.00 0.00 0.02 0.00 0.00 55.36 53.74 1a6x s GLN 126 Cb -0.03 -1.87 0.04 0.00 1.00 0.00 0.00 33.01 32.15 1a6x s GLN 126 CO 0.09 0.04 -0.07 0.42 -2.12 0.00 0.00 175.29 173.65 1a6x s ILE 127 N -2.58 1.20 0.05 1.08 -1.09 0.92 -4.79 121.20 115.99 1a6x s ILE 127 Ca 0.36 -0.64 -0.08 0.00 -2.23 0.00 0.00 60.65 58.06 1a6x s ILE 127 Cb 0.03 -1.33 -0.05 0.00 -1.58 0.00 0.00 42.46 39.53 1a6x s ILE 127 CO 0.20 0.18 0.34 -0.70 -1.23 0.00 0.00 174.94 173.73 1a6x s GLU 128 N 1.60 3.68 0.27 2.79 2.12 -1.26 0.19 118.70 128.09 1a6x s GLU 128 Ca 0.01 0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.09 1a6x s GLU 128 Cb -0.15 -3.03 -0.11 0.00 0.26 0.00 0.00 34.13 31.10 1a6x s GLU 128 CO -0.08 0.59 1.62 0.00 -0.54 0.00 0.00 175.26 176.86 1a6x s ALA 129 N -1.37 3.79 -0.23 6.30 0.00 0.26 -4.79 121.76 125.72 1a6x s ALA 129 Ca 0.31 1.58 0.11 0.00 0.00 0.00 0.00 51.96 53.96 1a6x s ALA 129 Cb -0.14 -3.66 0.25 0.00 0.00 0.00 0.00 23.12 19.57 1a6x s ALA 129 CO 0.18 -0.97 1.17 -0.40 0.00 0.00 0.00 175.76 175.73 1a6x n ASP 130 N 2.56 2.62 -2.92 0.00 5.68 -1.26 -3.79 116.55 119.44 1a6x n ASP 130 Ca 0.10 -2.57 0.03 0.00 -0.50 0.00 0.00 54.79 51.85 1a6x n ASP 130 Cb 0.37 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1a6x s LYS 131 N -1.99 0.18 0.15 0.11 2.36 -1.26 -5.04 119.74 114.25 1a6x s LYS 131 Ca 0.23 0.01 -0.31 0.00 -2.55 0.00 0.00 55.97 53.34 1a6x s LYS 131 Cb 0.18 0.04 -0.18 0.00 -1.05 0.00 0.00 37.83 36.82 1a6x s LYS 131 CO 0.05 -0.29 0.66 -1.13 1.55 0.00 0.00 175.35 176.19 1a6x n SER 132 N 4.22 -0.93 -1.96 1.43 3.41 -1.26 -4.89 113.62 113.65 1a6x n SER 132 Ca 0.07 1.14 0.01 0.00 -0.26 0.00 0.00 58.87 59.83 1a6x n SER 132 Cb 0.61 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 1.87 0.43 1.69 5.00 0.00 0.02 -4.97 105.19 109.23 1a6x n GLY 133 Ca 0.18 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.31 0.00 -2.70 2.61 -1.04 -1.26 -0.88 114.28 110.69 1a6x n THR 134 Ca 0.02 -0.98 -0.38 0.00 -2.04 0.00 0.00 64.05 60.67 1a6x n THR 134 Cb 0.19 -0.26 -0.06 0.00 -1.82 0.00 0.00 70.33 68.39 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 -1.25 4.01 0.00 12.58 0.11 -1.17 -1.06 120.40 133.62 1a6x s VAL 135 Ca 0.13 1.79 0.00 0.00 -2.93 0.00 0.00 61.98 60.97 1a6x s VAL 135 Cb -0.01 -4.05 0.00 0.00 -1.53 0.00 0.00 36.38 30.79 1a6x s VAL 135 CO 0.08 0.25 0.00 1.17 -3.33 0.00 0.00 175.10 173.27 1a6x n LYS 136 N 0.82 0.00 0.00 1.54 4.81 0.47 -4.46 118.16 121.35 1a6x n LYS 136 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1a6x n LYS 136 Cb 0.48 -0.60 0.00 0.00 0.02 0.00 0.00 35.03 34.93 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 -2.81 0.00 -2.56 3.14 0.00 0.28 -4.94 120.51 113.63 1a6x n ALA 137 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1a6x n ALA 137 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.39 5.28 -0.12 0.00 1.01 -1.26 0.19 121.20 125.91 1a6x s ILE 138 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.53 1a6x s ILE 138 Cb 0.00 -3.64 -0.26 0.00 0.01 0.00 0.00 42.46 38.57 1a6x s ILE 138 CO 0.00 0.11 0.46 -0.07 0.00 0.00 0.00 174.94 175.44 1a6x h LEU 139 N 8.46 0.36 -9.67 2.97 3.38 -1.67 -3.46 115.31 115.68 1a6x h LEU 139 Ca -0.33 -0.84 -0.51 0.00 0.09 0.00 0.00 57.88 56.28 1a6x h LEU 139 Cb 1.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1a6x h LEU 139 CO 0.60 1.69 0.29 0.54 0.09 0.00 0.00 178.44 181.65 1a6x s VAL 140 N -2.50 4.34 0.28 1.22 0.11 -0.30 -5.05 120.40 118.50 1a6x s VAL 140 Ca -0.22 1.93 -0.09 0.00 -2.93 0.00 0.00 61.98 60.67 1a6x s VAL 140 Cb 0.05 -4.25 -0.07 0.00 -1.53 0.00 0.00 36.38 30.58 1a6x s VAL 140 CO 0.75 0.44 0.60 -0.70 -3.33 0.00 0.00 175.10 172.86 1a6x s GLU 141 N -0.73 3.78 -0.99 1.54 -6.30 -1.26 -4.94 118.70 109.79 1a6x s GLU 141 Ca 0.41 0.28 -0.25 0.00 -2.50 0.00 0.00 54.97 52.91 1a6x s GLU 141 Cb -0.24 -2.59 -0.13 0.00 0.00 0.00 0.00 34.13 31.18 1a6x s GLU 141 CO 0.29 0.22 2.11 0.45 0.02 0.00 0.00 175.26 178.35 1a6x s SER 142 N -2.65 4.33 0.00 -1.70 0.15 -1.26 -0.08 113.70 112.48 1a6x s SER 142 Ca 0.48 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1a6x s SER 142 Cb -0.11 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1a6x s SER 142 CO 0.24 -3.67 0.00 0.61 1.20 0.00 0.00 173.24 171.62 1a6x n GLY 143 N 6.40 0.43 3.83 9.45 0.00 0.19 -4.83 105.19 120.65 1a6x n GLY 143 Ca 0.43 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 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 4.13 0.67 1.61 0.74 0.88 -4.74 119.66 122.95 1a6x s GLN 144 Ca 0.00 1.00 -0.12 0.00 0.05 0.00 0.00 55.36 56.29 1a6x s GLN 144 Cb 0.00 -2.22 -0.00 0.00 1.10 0.00 0.00 33.01 31.89 1a6x s GLN 144 CO 0.00 -0.04 1.06 -1.25 -0.55 0.00 0.00 175.29 174.50 1a6x s PRO 145 N -3.33 3.03 0.06 1.67 0.04 -1.26 -0.79 135.00 134.42 1a6x s PRO 145 Ca 0.60 1.01 -0.00 0.00 0.04 0.00 0.00 61.00 62.65 1a6x s PRO 145 Cb -0.09 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1a6x s PRO 145 CO 0.17 -1.03 -0.04 0.14 0.04 0.00 0.00 177.00 176.29 1a6x s VAL 146 N -2.91 0.33 0.18 -0.36 -7.23 0.48 -4.79 120.40 106.11 1a6x s VAL 146 Ca 0.59 -1.73 0.07 0.00 -1.81 0.00 0.00 61.98 59.10 1a6x s VAL 146 Cb -0.14 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.34 1a6x s VAL 146 CO 0.51 -0.90 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.57 1a6x s GLU 147 N -3.58 1.24 0.17 4.82 2.12 -1.26 -1.42 118.70 120.78 1a6x s GLU 147 Ca 0.05 -1.54 -0.31 0.00 0.36 0.00 0.00 54.97 53.53 1a6x s GLU 147 Cb 0.05 -0.96 -0.10 0.00 0.26 0.00 0.00 34.13 33.39 1a6x s GLU 147 CO -0.08 0.15 1.52 0.12 -0.54 0.00 0.00 175.26 176.43 1a6x s PHE 148 N -3.07 3.09 0.00 5.30 2.19 -1.26 -1.15 117.98 123.08 1a6x s PHE 148 Ca 0.20 0.74 0.00 0.00 0.33 0.00 0.00 56.93 58.21 1a6x s PHE 148 Cb 0.00 -3.87 0.00 0.00 -1.31 0.00 0.00 43.02 37.85 1a6x s PHE 148 CO 0.05 -3.12 0.00 -3.47 1.83 0.00 0.00 175.22 170.50 1a6x n ASP 149 N 3.74 0.00 -4.82 6.13 4.64 -1.13 -5.01 116.55 120.10 1a6x n ASP 149 Ca 0.12 0.00 -0.35 0.00 -1.38 0.00 0.00 54.79 53.19 1a6x n ASP 149 Cb 0.39 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.41 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 1a6x s GLU 150 N -0.16 4.27 0.43 -0.67 -6.30 -0.30 -4.83 118.70 111.14 1a6x s GLU 150 Ca 0.00 0.98 -0.23 0.00 -2.50 0.00 0.00 54.97 53.22 1a6x s GLU 150 Cb 0.00 -2.61 -0.09 0.00 0.00 0.00 0.00 34.13 31.43 1a6x s GLU 150 CO 0.00 0.23 1.05 -1.25 0.02 0.00 0.00 175.26 175.30 1a6x s PRO 151 N -2.47 4.03 0.00 4.30 0.04 -1.26 0.24 135.00 139.87 1a6x s PRO 151 Ca 0.51 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1a6x s PRO 151 Cb -0.14 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1a6x s PRO 151 CO 0.19 -0.25 0.00 1.28 0.04 0.00 0.00 177.00 178.26 1a6x n LEU 152 N -0.39 0.00 -4.32 -3.56 4.77 0.17 -4.69 117.00 108.98 1a6x n LEU 152 Ca 0.07 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 1a6x n LEU 152 Cb 0.51 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.47 1a6x n LEU 152 CO 0.43 -0.00 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.29 1a6x s VAL 153 N -0.00 1.84 -0.22 4.08 1.01 -1.24 -1.15 120.40 124.73 1a6x s VAL 153 Ca 0.00 -1.71 -0.07 0.00 0.00 0.00 0.00 61.98 60.20 1a6x s VAL 153 Cb 0.00 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1a6x s VAL 153 CO 0.00 -0.13 0.04 -0.69 0.00 0.00 0.00 175.10 174.33 1a6x s VAL 154 N -1.46 4.30 0.27 2.92 1.01 0.50 0.30 120.40 128.24 1a6x s VAL 154 Ca 0.11 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.00 1a6x s VAL 154 Cb -0.09 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1a6x s VAL 154 CO 0.05 0.40 -0.03 -0.63 0.00 0.00 0.00 175.10 174.89 1a6x s ILE 155 N 1.10 3.31 -0.57 2.22 1.09 -0.06 -0.39 121.20 127.90 1a6x s ILE 155 Ca 0.04 -1.98 0.05 0.00 -1.10 0.00 0.00 60.65 57.65 1a6x s ILE 155 Cb -0.14 -2.76 0.04 0.00 -1.06 0.00 0.00 42.46 38.53 1a6x s ILE 155 CO 0.03 -0.37 0.65 1.21 -0.10 0.00 0.00 174.94 176.35