#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 -3.16 0.03 4.07 -1.26 -5.06 120.64 115.26 1a6x n GLU 71 Ca 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.05 1a6x n GLU 71 Cb 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.39 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1a6x n ALA 72 N 0.00 -2.52 -1.52 4.31 0.00 -1.26 -4.99 120.51 114.52 1a6x n ALA 72 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1a6x n ALA 72 Cb 0.00 -2.12 0.19 0.00 0.00 0.00 0.00 19.45 17.52 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 -3.41 0.18 -0.03 0.00 0.04 -1.26 -5.09 135.00 125.44 1a6x s PRO 73 Ca 0.08 -0.07 -0.29 0.00 0.04 0.00 0.00 61.00 60.75 1a6x s PRO 73 Cb -0.01 -1.76 0.11 0.00 0.04 0.00 0.00 34.50 32.87 1a6x s PRO 73 CO 0.76 -2.78 1.30 0.00 0.04 0.00 0.00 177.00 176.33 1a6x s ALA 74 N -3.40 -2.41 -0.11 8.56 0.00 -1.26 -5.18 121.76 117.97 1a6x s ALA 74 Ca 0.70 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.87 1a6x s ALA 74 Cb -0.09 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.72 1a6x s ALA 74 CO 0.54 -1.11 0.33 0.00 0.00 0.00 0.00 175.76 175.52 1a6x s ALA 75 N -2.15 -0.82 -0.04 0.00 0.00 -1.26 -5.16 121.76 112.34 1a6x s ALA 75 Ca 0.23 0.84 -0.31 0.00 0.00 0.00 0.00 51.96 52.73 1a6x s ALA 75 Cb 0.02 -0.45 0.12 0.00 0.00 0.00 0.00 23.12 22.81 1a6x s ALA 75 CO -0.02 -0.17 1.33 0.00 0.00 0.00 0.00 175.76 176.89 1a6x s ALA 76 N -0.06 -2.37 0.06 0.00 0.00 -1.26 -5.19 121.76 112.95 1a6x s ALA 76 Ca -0.02 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.47 1a6x s ALA 76 Cb -0.03 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.53 1a6x s ALA 76 CO 0.01 -1.08 0.22 -1.21 0.00 0.00 0.00 175.76 173.71 1a6x s GLU 77 N -2.24 0.79 0.13 0.00 0.41 -1.26 -5.17 118.70 111.36 1a6x s GLU 77 Ca 0.18 -0.73 0.03 0.00 -0.41 0.00 0.00 54.97 54.03 1a6x s GLU 77 Cb 0.05 0.33 -0.04 0.00 -1.78 0.00 0.00 34.13 32.69 1a6x s GLU 77 CO -0.04 -0.25 0.19 -1.50 -0.49 0.00 0.00 175.26 173.17 1a6x s ILE 78 N -3.11 4.91 -0.24 -1.63 1.10 -1.26 -4.76 121.20 116.21 1a6x s ILE 78 Ca -0.01 -0.79 -0.08 0.00 -0.51 0.00 0.00 60.65 59.25 1a6x s ILE 78 Cb 0.01 -3.48 0.01 0.00 0.15 0.00 0.00 42.46 39.16 1a6x s ILE 78 CO -0.07 -0.03 0.33 -0.24 -2.11 0.00 0.00 174.94 172.82 1a6x n SER 79 N -0.19 -5.25 -0.01 4.50 2.88 -1.26 -4.96 113.62 109.33 1a6x n SER 79 Ca -0.07 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1a6x n SER 79 Cb 0.53 -3.40 0.00 0.00 -0.75 0.00 0.00 64.21 60.59 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 -0.44 1.23 2.83 0.46 0.00 0.17 -5.03 105.19 104.40 1a6x n GLY 80 Ca 0.06 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 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 2.12 -0.20 1.61 5.04 0.99 -4.84 115.29 120.01 1a6x s HIS 81 Ca 0.00 -1.85 -0.19 0.00 -1.54 0.00 0.00 55.06 51.48 1a6x s HIS 81 Cb 0.00 -1.81 -0.03 0.00 0.04 0.00 0.00 32.58 30.78 1a6x s HIS 81 CO 0.00 -0.84 0.55 0.42 -2.34 0.00 0.00 174.74 172.54 1a6x s ILE 82 N 1.48 5.08 0.08 0.89 1.01 -1.26 -0.97 121.20 127.50 1a6x s ILE 82 Ca 0.05 1.03 -0.26 0.00 0.00 0.00 0.00 60.65 61.47 1a6x s ILE 82 Cb -0.18 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 1a6x s ILE 82 CO -0.16 0.15 0.82 -0.69 0.00 0.00 0.00 174.94 175.06 1a6x s VAL 83 N 1.73 4.61 -0.17 2.92 1.01 -0.39 -4.99 120.40 125.12 1a6x s VAL 83 Ca 0.26 1.76 0.01 0.00 0.00 0.00 0.00 61.98 64.00 1a6x s VAL 83 Cb -0.16 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.08 1a6x s VAL 83 CO 0.10 0.38 -0.12 -0.13 0.00 0.00 0.00 175.10 175.32 1a6x s ARG 84 N -0.22 2.18 -0.92 2.72 0.52 -1.26 -0.52 118.95 121.46 1a6x s ARG 84 Ca 0.40 -0.70 -0.32 0.00 -0.52 0.00 0.00 55.73 54.59 1a6x s ARG 84 Cb -0.22 -2.26 -0.21 0.00 0.52 0.00 0.00 34.95 32.78 1a6x s ARG 84 CO 0.25 -0.33 2.63 0.45 0.02 0.00 0.00 175.30 178.32 1a6x n SER 85 N 4.73 0.45 0.00 0.23 2.88 0.13 -4.68 113.62 117.37 1a6x n SER 85 Ca -0.16 0.19 0.12 0.00 -1.33 0.00 0.00 58.87 57.69 1a6x n SER 85 Cb 0.48 -0.96 0.69 0.00 -0.75 0.00 0.00 64.21 63.68 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 8.43 0.75 -3.46 -1.46 -0.04 -1.26 -2.19 135.00 135.76 1a6x n PRO 86 Ca 0.63 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 64.05 1a6x n PRO 86 Cb 0.05 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 31.97 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 0.44 0.28 0.54 -1.94 -1.26 -4.94 119.30 110.42 1a6x s MET 87 Ca 0.35 1.00 -0.29 0.00 -1.71 0.00 0.00 55.69 55.03 1a6x s MET 87 Cb 0.16 0.30 -0.14 0.00 2.01 0.00 0.00 34.83 37.16 1a6x s MET 87 CO 0.27 -0.42 1.17 0.28 -0.01 0.00 0.00 175.02 176.30 1a6x n VAL 88 N 5.41 1.67 0.00 -6.03 0.31 -1.26 -4.70 118.33 113.73 1a6x n VAL 88 Ca -0.06 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1a6x n VAL 88 Cb 0.50 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 1.37 -0.54 3.48 2.92 0.00 -0.49 -4.77 105.19 107.16 1a6x n GLY 89 Ca 0.09 0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 1.26 0.00 2.61 2.01 -0.25 -0.12 115.64 121.15 1a6x s THR 90 Ca 0.00 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 59.99 1a6x s THR 90 Cb 0.00 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 69.72 1a6x s THR 90 CO 0.00 0.00 0.01 0.12 -0.69 0.00 0.00 174.62 174.06 1a6x s PHE 91 N -3.21 0.07 0.06 4.92 2.19 0.11 -0.77 117.98 121.34 1a6x s PHE 91 Ca 0.35 -0.13 0.01 0.00 0.33 0.00 0.00 56.93 57.49 1a6x s PHE 91 Cb 0.08 -0.05 -0.03 0.00 -1.31 0.00 0.00 43.02 41.71 1a6x s PHE 91 CO 0.16 -0.07 -0.06 0.71 1.83 0.00 0.00 175.22 177.78 1a6x s TYR 92 N -0.48 0.66 -0.44 10.12 2.02 0.92 -0.64 117.35 129.50 1a6x s TYR 92 Ca -0.05 -0.78 0.19 0.00 -0.37 0.00 0.00 57.07 56.06 1a6x s TYR 92 Cb -0.03 -0.41 -0.25 0.00 -0.40 0.00 0.00 41.96 40.86 1a6x s TYR 92 CO -0.00 -0.19 0.61 0.54 -1.57 0.00 0.00 175.55 174.94 1a6x n ARG 93 N 0.64 0.69 -4.20 -0.62 5.12 -1.26 -1.10 116.66 115.93 1a6x n ARG 93 Ca -0.17 -0.09 -0.16 0.00 -1.93 0.00 0.00 57.85 55.50 1a6x n ARG 93 Cb 0.58 -1.42 -0.11 0.00 -1.16 0.00 0.00 32.46 30.35 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 -3.07 1.09 -0.44 0.55 -4.23 -1.26 -1.31 115.64 106.97 1a6x s THR 94 Ca -0.00 -1.70 0.26 0.00 -1.18 0.00 0.00 61.69 59.07 1a6x s THR 94 Cb 0.13 -1.46 0.30 0.00 1.34 0.00 0.00 72.50 72.82 1a6x s THR 94 CO 0.79 -0.53 1.77 1.55 -0.54 0.00 0.00 174.62 177.66 1a6x h PRO 95 N 3.48 0.00 -3.73 3.99 0.13 -1.87 -3.46 132.00 130.54 1a6x h PRO 95 Ca -0.38 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.00 -0.18 -1.12 -0.23 0.00 0.00 178.00 177.01 1a6x s SER 96 N -4.96 -0.07 0.38 1.44 0.01 -1.26 -5.02 113.70 104.22 1a6x s SER 96 Ca 0.06 -0.91 0.20 0.00 1.31 0.00 0.00 55.95 56.61 1a6x s SER 96 Cb 0.09 0.54 0.56 0.00 0.21 0.00 0.00 66.02 67.43 1a6x s SER 96 CO 0.54 -1.07 1.67 1.55 0.41 0.00 0.00 173.24 176.34 1a6x h PRO 97 N 2.33 0.00 -0.34 12.44 0.13 -1.98 -3.12 132.00 141.46 1a6x h PRO 97 Ca -0.28 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.60 1a6x h PRO 97 Cb 1.25 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.19 1a6x h PRO 97 CO 0.39 0.32 -0.58 -3.47 -0.23 0.00 0.00 178.00 174.43 1a6x n ASP 98 N -3.33 3.16 -4.40 1.44 -0.08 -1.26 -5.01 116.55 107.06 1a6x n ASP 98 Ca 0.01 -3.84 -0.29 0.00 -1.51 0.00 0.00 54.79 49.17 1a6x n ASP 98 Cb 0.55 -0.47 -0.13 0.00 2.34 0.00 0.00 41.12 43.41 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1a6x s ALA 99 N -3.40 2.43 1.16 -1.67 0.00 -1.18 -5.12 121.76 113.97 1a6x s ALA 99 Ca 0.44 -1.48 -0.17 0.00 0.00 0.00 0.00 51.96 50.75 1a6x s ALA 99 Cb 0.39 -0.40 0.18 0.00 0.00 0.00 0.00 23.12 23.30 1a6x s ALA 99 CO -0.02 0.53 0.36 1.63 0.00 0.00 0.00 175.76 178.26 1a6x n LYS 100 N 0.82 -2.10 -3.25 0.00 4.01 -1.26 -4.73 118.16 111.65 1a6x n LYS 100 Ca -0.17 -0.60 -0.38 0.00 -0.51 0.00 0.00 58.31 56.65 1a6x n LYS 100 Cb 0.53 -1.85 -0.06 0.00 -0.51 0.00 0.00 35.03 33.15 1a6x n LYS 100 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1a6x s ALA 101 N -2.27 3.48 0.28 7.82 0.00 -1.26 -4.40 121.76 125.41 1a6x s ALA 101 Ca 0.60 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1a6x s ALA 101 Cb -0.16 -2.70 0.56 0.00 0.00 0.00 0.00 23.12 20.82 1a6x s ALA 101 CO 0.65 0.11 1.83 0.74 0.00 0.00 0.00 175.76 179.08 1a6x h PHE 102 N 6.05 1.11 -3.18 0.00 0.04 -1.55 -3.38 116.94 116.03 1a6x h PHE 102 Ca -0.44 0.03 -0.43 0.00 2.80 0.00 0.00 57.97 59.94 1a6x h PHE 102 Cb 1.19 -0.35 -0.40 0.00 2.20 0.00 0.00 35.95 38.60 1a6x h PHE 102 CO 0.65 0.42 -0.75 0.42 -0.60 0.00 0.00 178.31 178.45 1a6x s ILE 103 N -5.95 -0.03 -0.26 -0.55 1.01 -1.26 -4.90 121.20 109.25 1a6x s ILE 103 Ca -0.12 0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.43 1a6x s ILE 103 Cb 0.22 -0.43 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 1a6x s ILE 103 CO 0.81 -0.05 0.47 -0.70 0.00 0.00 0.00 174.94 175.46 1a6x s GLU 104 N 2.12 4.05 -0.49 2.79 2.12 -1.26 -4.98 118.70 123.05 1a6x s GLU 104 Ca 0.03 0.24 -0.46 0.00 0.36 0.00 0.00 54.97 55.14 1a6x s GLU 104 Cb -0.14 -3.65 -0.19 0.00 0.26 0.00 0.00 34.13 30.40 1a6x s GLU 104 CO -0.06 -0.33 1.79 0.28 -0.54 0.00 0.00 175.26 176.40 1a6x n VAL 105 N 5.14 0.01 0.00 3.70 0.31 -1.26 -1.64 118.33 124.59 1a6x n VAL 105 Ca -0.05 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1a6x n VAL 105 Cb 0.50 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 5.21 1.63 3.35 2.92 0.00 -1.26 -5.08 105.19 111.96 1a6x n GLY 106 Ca 0.39 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.10 1.38 0.40 1.61 -0.44 -0.65 -5.01 119.66 116.85 1a6x s GLN 107 Ca 0.00 -1.70 0.08 0.00 -2.50 0.00 0.00 55.36 51.24 1a6x s GLN 107 Cb 0.00 -0.76 -0.03 0.00 -1.64 0.00 0.00 33.01 30.58 1a6x s GLN 107 CO 0.00 -0.05 0.28 0.21 0.50 0.00 0.00 175.29 176.22 1a6x s LYS 108 N -3.82 2.44 -0.04 1.67 2.20 -1.26 -2.70 119.74 118.22 1a6x s LYS 108 Ca 0.28 -1.61 -0.14 0.00 -0.36 0.00 0.00 55.97 54.14 1a6x s LYS 108 Cb 0.05 -2.24 0.03 0.00 -1.51 0.00 0.00 37.83 34.16 1a6x s LYS 108 CO 0.09 -0.10 0.32 0.14 -0.36 0.00 0.00 175.35 175.44 1a6x s VAL 109 N -2.49 0.05 0.01 4.02 -7.23 0.57 -4.97 120.40 110.36 1a6x s VAL 109 Ca 0.44 -0.38 0.08 0.00 -1.81 0.00 0.00 61.98 60.31 1a6x s VAL 109 Cb -0.01 -0.59 -0.02 0.00 0.56 0.00 0.00 36.38 36.31 1a6x s VAL 109 CO 0.25 -0.21 -0.25 0.54 -0.31 0.00 0.00 175.10 175.13 1a6x s ASN 110 N -1.04 2.91 -0.54 4.85 2.20 -1.26 -0.78 114.94 121.28 1a6x s ASN 110 Ca -0.11 -0.50 -0.42 0.00 -0.94 0.00 0.00 52.86 50.88 1a6x s ASN 110 Cb -0.05 -0.29 -0.19 0.00 -2.00 0.00 0.00 41.25 38.72 1a6x s ASN 110 CO 0.04 0.27 2.20 0.52 -2.94 0.00 0.00 177.10 177.18 1a6x n VAL 111 N 2.14 0.01 0.00 3.54 0.31 -1.26 -0.66 118.33 122.41 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 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 0.54 3.68 2.92 0.00 -1.21 -5.00 105.19 113.49 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 -0.43 5.39 0.39 1.61 1.11 0.17 -4.88 116.67 120.03 1a6x s ASP 113 Ca 0.00 0.15 -0.26 0.00 0.18 0.00 0.00 52.55 52.61 1a6x s ASP 113 Cb 0.00 -1.64 -0.11 0.00 1.07 0.00 0.00 42.92 42.24 1a6x s ASP 113 CO 0.00 0.33 1.27 0.41 1.18 0.00 0.00 175.17 178.36 1a6x n THR 114 N 2.46 2.34 -0.04 -1.27 -1.04 -1.26 -0.11 114.28 115.37 1a6x n THR 114 Ca -0.18 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.28 1a6x n THR 114 Cb 0.53 -1.56 -0.05 0.00 -1.82 0.00 0.00 70.33 67.43 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 0.42 0.85 0.00 -4.42 -0.00 0.87 -4.67 117.00 110.05 1a6x n LEU 115 Ca 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1a6x n LEU 115 Cb 0.38 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 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 -2.06 0.47 -0.05 0.00 1.01 -0.26 -0.34 121.20 119.98 1a6x s ILE 117 Ca 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 59.54 1a6x s ILE 117 Cb 0.00 -0.63 0.02 0.00 0.01 0.00 0.00 42.46 41.86 1a6x s ILE 117 CO 0.00 -0.44 -0.06 -0.69 0.00 0.00 0.00 174.94 173.75 1a6x s VAL 118 N -1.58 0.62 -0.14 2.92 1.01 0.11 -0.06 120.40 123.28 1a6x s VAL 118 Ca -0.09 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 1a6x s VAL 118 Cb -0.09 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1a6x s VAL 118 CO -0.00 0.24 0.43 -0.70 0.00 0.00 0.00 175.10 175.07 1a6x s GLU 119 N 0.84 4.30 0.03 2.72 2.12 0.05 0.22 118.70 128.98 1a6x s GLU 119 Ca -0.12 0.35 -0.25 0.00 0.36 0.00 0.00 54.97 55.31 1a6x s GLU 119 Cb -0.15 -3.45 0.06 0.00 0.26 0.00 0.00 34.13 30.86 1a6x s GLU 119 CO 0.01 0.15 0.58 0.00 -0.54 0.00 0.00 175.26 175.45 1a6x s ALA 120 N 0.69 -1.50 -1.64 6.30 0.00 -0.31 -1.09 121.76 124.21 1a6x s ALA 120 Ca 0.23 0.81 -0.15 0.00 0.00 0.00 0.00 51.96 52.85 1a6x s ALA 120 Cb -0.15 0.33 0.12 0.00 0.00 0.00 0.00 23.12 23.43 1a6x s ALA 120 CO 0.09 -0.50 0.71 -1.33 0.00 0.00 0.00 175.76 174.74 1a6x n MET 121 N 0.47 -3.24 -4.01 0.00 2.81 -1.26 0.22 117.12 112.12 1a6x n MET 121 Ca -0.18 0.38 -0.29 0.00 -1.81 0.00 0.00 57.70 55.80 1a6x n MET 121 Cb 0.60 -4.98 -0.01 0.00 -0.71 0.00 0.00 33.22 28.11 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 -4.41 -3.67 -3.60 0.03 2.85 -1.26 -4.94 118.16 103.16 1a6x n LYS 122 Ca -0.00 0.44 -0.15 0.00 -1.05 0.00 0.00 58.31 57.54 1a6x n LYS 122 Cb 0.53 -4.86 -0.07 0.00 -0.65 0.00 0.00 35.03 29.98 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1a6x s MET 123 N -6.63 0.88 0.23 -1.58 -1.94 0.13 -5.15 119.30 105.25 1a6x s MET 123 Ca 0.29 0.67 -0.30 0.00 -1.71 0.00 0.00 55.69 54.65 1a6x s MET 123 Cb -0.16 0.42 -0.09 0.00 2.01 0.00 0.00 34.83 37.02 1a6x s MET 123 CO 0.89 -0.18 1.14 0.00 -0.01 0.00 0.00 175.02 176.86 1a6x s MET 124 N -0.23 4.57 -0.34 2.03 0.23 -1.26 -1.16 119.30 123.15 1a6x s MET 124 Ca -0.04 1.82 -0.01 0.00 -1.03 0.00 0.00 55.69 56.43 1a6x s MET 124 Cb -0.03 -3.22 0.11 0.00 -1.53 0.00 0.00 34.83 30.16 1a6x s MET 124 CO 0.04 0.07 0.15 -0.80 -2.03 0.00 0.00 175.02 172.45 1a6x s ASN 125 N -0.35 3.63 0.62 -1.18 0.01 0.13 -4.93 114.94 112.87 1a6x s ASN 125 Ca 0.48 -1.83 -0.18 0.00 -0.71 0.00 0.00 52.86 50.63 1a6x s ASN 125 Cb -0.32 -0.67 -0.02 0.00 0.41 0.00 0.00 41.25 40.65 1a6x s ASN 125 CO 0.39 -0.38 1.19 -1.10 -1.51 0.00 0.00 177.10 175.69 1a6x s GLN 126 N 1.41 2.83 -0.22 -0.60 -0.21 -1.26 0.07 119.66 121.69 1a6x s GLN 126 Ca 0.13 1.75 0.01 0.00 0.02 0.00 0.00 55.36 57.27 1a6x s GLN 126 Cb -0.19 -1.92 0.03 0.00 1.00 0.00 0.00 33.01 31.93 1a6x s GLN 126 CO -0.19 -1.30 -0.15 0.42 -2.12 0.00 0.00 175.29 171.96 1a6x s ILE 127 N -1.76 2.24 -0.16 1.08 -1.09 0.54 -4.82 121.20 117.22 1a6x s ILE 127 Ca 0.75 -1.19 -0.18 0.00 -2.23 0.00 0.00 60.65 57.80 1a6x s ILE 127 Cb -0.29 -2.10 -0.04 0.00 -1.58 0.00 0.00 42.46 38.46 1a6x s ILE 127 CO 0.36 0.29 0.51 -1.83 -1.23 0.00 0.00 174.94 173.03 1a6x s GLU 128 N 1.23 4.26 0.22 2.79 1.03 -1.26 -0.09 118.70 126.88 1a6x s GLU 128 Ca -0.01 0.44 -0.28 0.00 0.03 0.00 0.00 54.97 55.16 1a6x s GLU 128 Cb -0.16 -3.51 -0.17 0.00 -0.80 0.00 0.00 34.13 29.50 1a6x s GLU 128 CO -0.09 -0.02 0.54 0.00 -1.33 0.00 0.00 175.26 174.37 1a6x n ALA 129 N 4.31 -2.62 -1.10 -0.84 0.00 0.85 -4.84 120.51 116.27 1a6x n ALA 129 Ca -0.06 0.42 0.09 0.00 0.00 0.00 0.00 53.44 53.89 1a6x n ALA 129 Cb 0.51 -1.64 0.12 0.00 0.00 0.00 0.00 19.45 18.44 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 1.94 2.14 -2.90 0.00 -0.08 -1.26 -3.30 116.55 113.09 1a6x n ASP 130 Ca 0.17 -2.95 0.03 0.00 -1.51 0.00 0.00 54.79 50.53 1a6x n ASP 130 Cb 0.27 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.34 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1a6x s LYS 131 N -2.56 0.18 0.39 -0.67 2.36 -1.26 -5.00 119.74 113.18 1a6x s LYS 131 Ca 0.28 -0.00 -0.21 0.00 -2.55 0.00 0.00 55.97 53.48 1a6x s LYS 131 Cb 0.25 0.04 -0.16 0.00 -1.05 0.00 0.00 37.83 36.90 1a6x s LYS 131 CO 0.03 -0.28 0.10 -1.13 1.55 0.00 0.00 175.35 175.62 1a6x n SER 132 N 4.15 -2.80 0.00 1.43 3.41 -1.26 -4.84 113.62 113.71 1a6x n SER 132 Ca 0.07 0.82 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 1a6x n SER 132 Cb 0.61 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 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 2.31 -1.50 3.70 5.00 0.00 0.04 -4.94 105.19 109.80 1a6x n GLY 133 Ca 0.11 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.68 2.10 0.86 2.61 2.01 -1.26 -0.31 115.64 118.97 1a6x s THR 134 Ca 0.00 -1.83 -0.13 0.00 0.31 0.00 0.00 61.69 60.04 1a6x s THR 134 Cb 0.00 -2.93 0.05 0.00 0.01 0.00 0.00 72.50 69.63 1a6x s THR 134 CO 0.00 0.00 0.79 0.55 -0.69 0.00 0.00 174.62 175.27 1a6x n VAL 135 N -1.14 0.97 0.00 3.82 3.14 -1.10 0.19 118.33 124.21 1a6x n VAL 135 Ca -0.04 -0.21 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 1a6x n VAL 135 Cb 0.66 -0.88 0.00 0.00 -1.06 0.00 0.00 33.84 32.56 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 -2.38 0.00 0.00 1.45 0.00 -0.11 -4.02 118.16 113.09 1a6x n LYS 136 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.41 1a6x n LYS 136 Cb 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 35.03 35.43 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 -2.24 0.00 -2.80 3.14 0.00 0.39 -4.95 120.51 114.05 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 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 5.02 -0.20 0.00 1.09 -1.26 0.19 121.20 125.73 1a6x s ILE 138 Ca 0.00 0.03 -0.07 0.00 -1.10 0.00 0.00 60.65 59.51 1a6x s ILE 138 Cb 0.00 -3.20 -0.10 0.00 -1.06 0.00 0.00 42.46 38.10 1a6x s ILE 138 CO 0.00 0.55 -0.23 0.18 -0.10 0.00 0.00 174.94 175.34 1a6x n LEU 139 N 2.62 1.81 -4.77 2.97 4.77 -0.36 -4.96 117.00 119.07 1a6x n LEU 139 Ca -0.18 0.16 -0.39 0.00 -0.03 0.00 0.00 56.01 55.56 1a6x n LEU 139 Cb 0.54 -0.60 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 1a6x n LEU 139 CO 0.32 0.52 0.41 0.54 -1.33 0.00 0.00 177.39 177.85 1a6x s VAL 140 N -2.37 4.60 0.71 4.08 0.11 -0.73 -5.07 120.40 121.73 1a6x s VAL 140 Ca -0.27 1.54 0.01 0.00 -2.93 0.00 0.00 61.98 60.32 1a6x s VAL 140 Cb 0.10 -4.06 0.13 0.00 -1.53 0.00 0.00 36.38 31.01 1a6x s VAL 140 CO 0.37 0.48 0.97 -1.61 -3.33 0.00 0.00 175.10 171.98 1a6x s GLU 141 N -0.74 1.73 -0.90 1.54 8.01 -1.26 -4.92 118.70 122.15 1a6x s GLU 141 Ca 0.35 -1.23 -0.25 0.00 0.01 0.00 0.00 54.97 53.85 1a6x s GLU 141 Cb -0.21 -2.38 0.03 0.00 -4.31 0.00 0.00 34.13 27.26 1a6x s GLU 141 CO 0.23 -1.39 1.50 0.45 0.01 0.00 0.00 175.26 176.05 1a6x s SER 142 N -4.74 6.14 0.00 -0.19 0.15 -1.26 -2.38 113.70 111.42 1a6x s SER 142 Ca 0.66 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1a6x s SER 142 Cb -0.05 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1a6x s SER 142 CO 0.44 -1.82 0.00 0.61 1.20 0.00 0.00 173.24 173.67 1a6x n GLY 143 N 6.39 1.59 3.76 9.45 0.00 0.19 -4.92 105.19 121.66 1a6x n GLY 143 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 1a6x n GLY 143 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a6x s GLN 144 N 0.00 3.24 0.91 1.61 -0.21 -1.00 -4.67 119.66 119.54 1a6x s GLN 144 Ca 0.00 1.81 -0.12 0.00 0.02 0.00 0.00 55.36 57.06 1a6x s GLN 144 Cb 0.00 -2.08 0.13 0.00 1.00 0.00 0.00 33.01 32.07 1a6x s GLN 144 CO 0.00 -0.98 1.13 -1.25 -2.12 0.00 0.00 175.29 172.07 1a6x s PRO 145 N -3.15 1.19 0.07 2.91 0.04 -1.26 -0.71 135.00 134.08 1a6x s PRO 145 Ca 0.73 0.31 -0.09 0.00 0.04 0.00 0.00 61.00 61.99 1a6x s PRO 145 Cb -0.29 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1a6x s PRO 145 CO 0.33 -2.17 0.20 0.14 0.04 0.00 0.00 177.00 175.54 1a6x s VAL 146 N -3.27 0.13 0.23 -0.36 -7.23 0.83 -4.66 120.40 106.07 1a6x s VAL 146 Ca 0.64 -1.06 0.03 0.00 -1.81 0.00 0.00 61.98 59.78 1a6x s VAL 146 Cb -0.15 -1.19 -0.05 0.00 0.56 0.00 0.00 36.38 35.55 1a6x s VAL 146 CO 0.53 -0.59 0.00 -1.61 -0.31 0.00 0.00 175.10 173.13 1a6x s GLU 147 N -3.42 1.34 0.05 4.82 2.02 -1.26 -1.40 118.70 120.86 1a6x s GLU 147 Ca 0.01 -1.68 -0.31 0.00 0.02 0.00 0.00 54.97 53.02 1a6x s GLU 147 Cb 0.03 -0.61 -0.07 0.00 0.10 0.00 0.00 34.13 33.57 1a6x s GLU 147 CO -0.09 -0.10 1.57 0.12 0.02 0.00 0.00 175.26 176.78 1a6x s PHE 148 N -3.43 2.58 0.00 1.61 2.19 -1.25 -1.13 117.98 118.56 1a6x s PHE 148 Ca 0.29 0.49 0.00 0.00 0.33 0.00 0.00 56.93 58.04 1a6x s PHE 148 Cb 0.06 -3.86 0.00 0.00 -1.31 0.00 0.00 43.02 37.90 1a6x s PHE 148 CO 0.09 -3.38 0.00 -3.47 1.83 0.00 0.00 175.22 170.28 1a6x n ASP 149 N 5.46 0.00 -4.78 6.13 2.03 -0.93 -5.00 116.55 119.46 1a6x n ASP 149 Ca 0.15 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.09 1a6x n ASP 149 Cb 0.41 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.77 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1a6x s GLU 150 N -0.10 4.34 0.49 -0.67 -6.30 -0.28 -4.80 118.70 111.37 1a6x s GLU 150 Ca 0.00 1.48 -0.20 0.00 -2.50 0.00 0.00 54.97 53.75 1a6x s GLU 150 Cb 0.00 -2.68 -0.08 0.00 0.00 0.00 0.00 34.13 31.37 1a6x s GLU 150 CO 0.00 0.03 1.04 -1.25 0.02 0.00 0.00 175.26 175.09 1a6x s PRO 151 N -2.27 3.79 0.00 4.30 0.04 -1.26 0.22 135.00 139.81 1a6x s PRO 151 Ca 0.54 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1a6x s PRO 151 Cb -0.22 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1a6x s PRO 151 CO 0.27 -0.44 0.00 1.28 0.04 0.00 0.00 177.00 178.15 1a6x n LEU 152 N -1.01 0.00 -4.09 -3.56 4.77 0.32 -4.68 117.00 108.75 1a6x n LEU 152 Ca 0.09 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.85 1a6x n LEU 152 Cb 0.53 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.46 1a6x n LEU 152 CO 0.40 -0.15 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.15 1a6x s VAL 153 N -0.30 1.08 -0.26 4.08 1.01 -1.25 -1.23 120.40 123.54 1a6x s VAL 153 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1a6x s VAL 153 Cb 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1a6x s VAL 153 CO 0.00 0.31 0.28 -0.69 0.00 0.00 0.00 175.10 175.00 1a6x s VAL 154 N -0.22 5.26 0.32 2.92 1.01 0.50 -1.27 120.40 128.91 1a6x s VAL 154 Ca 0.03 0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.49 1a6x s VAL 154 Cb -0.06 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1a6x s VAL 154 CO -0.00 0.24 0.12 -0.63 0.00 0.00 0.00 175.10 174.83 1a6x s ILE 155 N 1.65 3.18 -2.83 2.22 1.09 -0.15 -0.46 121.20 125.90 1a6x s ILE 155 Ca 0.12 -1.72 0.25 0.00 -1.10 0.00 0.00 60.65 58.20 1a6x s ILE 155 Cb -0.15 -2.98 0.31 0.00 -1.06 0.00 0.00 42.46 38.58 1a6x s ILE 155 CO 0.09 -0.23 1.42 1.21 -0.10 0.00 0.00 174.94 177.33