#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 1.56 -1.47 3.17 -0.58 -1.26 -4.98 120.64 117.09 1a6x n GLU 71 Ca 0.00 0.01 -0.40 0.00 -0.42 0.00 0.00 57.16 56.35 1a6x n GLU 71 Cb 0.00 -1.09 -0.15 0.00 -0.57 0.00 0.00 31.44 29.63 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a6x n ALA 72 N -2.41 0.29 0.12 0.62 0.00 -1.26 -4.71 120.51 113.16 1a6x n ALA 72 Ca -0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 1a6x n ALA 72 Cb 0.60 -2.22 0.09 0.00 0.00 0.00 0.00 19.45 17.92 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 11.72 0.00 -6.31 0.00 0.13 -2.01 -3.42 132.00 132.11 1a6x h PRO 73 Ca -0.05 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.52 1a6x h PRO 73 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1a6x h PRO 73 CO 1.36 0.71 1.23 0.00 -0.23 0.00 0.00 178.00 181.07 1a6x s ALA 74 N -3.31 2.84 0.00 -0.56 0.00 -1.26 -4.66 121.76 114.81 1a6x s ALA 74 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1a6x s ALA 74 Cb 0.12 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1a6x s ALA 74 CO 0.77 -2.72 0.00 0.00 0.00 0.00 0.00 175.76 173.82 1a6x n ALA 75 N 10.17 1.73 -2.69 0.00 0.00 -1.26 -5.10 120.51 123.36 1a6x n ALA 75 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.62 1a6x n ALA 75 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.96 1a6x n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x s ALA 76 N -1.92 -4.43 0.00 0.00 0.00 -1.26 -5.04 121.76 109.10 1a6x s ALA 76 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1a6x s ALA 76 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1a6x s ALA 76 CO 0.00 -2.52 0.00 -1.91 0.00 0.00 0.00 175.76 171.33 1a6x n GLU 77 N 2.78 0.00 -2.17 0.00 2.13 -1.26 -4.92 120.64 117.19 1a6x n GLU 77 Ca 0.11 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.89 1a6x n GLU 77 Cb 0.64 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.35 1a6x n GLU 77 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1a6x n ILE 78 N 0.00 -0.14 -3.94 6.31 -5.35 -1.26 -1.26 119.36 113.72 1a6x n ILE 78 Ca 0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.12 1a6x n ILE 78 Cb 0.00 -0.52 0.01 0.00 -1.74 0.00 0.00 39.64 37.39 1a6x n ILE 78 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1a6x n SER 79 N -1.11 -4.23 0.00 7.28 2.88 -1.26 -4.74 113.62 112.44 1a6x n SER 79 Ca -0.04 -1.12 0.00 0.00 -1.33 0.00 0.00 58.87 56.37 1a6x n SER 79 Cb 0.44 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 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 -1.86 2.62 3.84 0.46 0.00 -0.39 -5.01 105.19 104.85 1a6x n GLY 80 Ca -0.20 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 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 3.21 -0.14 1.61 2.46 0.14 -4.94 115.29 117.63 1a6x s HIS 81 Ca 0.00 -0.02 -0.01 0.00 0.47 0.00 0.00 55.06 55.49 1a6x s HIS 81 Cb 0.00 -1.51 0.04 0.00 -0.13 0.00 0.00 32.58 30.98 1a6x s HIS 81 CO 0.00 0.51 -0.02 0.42 -2.47 0.00 0.00 174.74 173.18 1a6x s ILE 82 N -1.88 0.76 -0.32 0.89 -1.09 -1.26 0.25 121.20 118.56 1a6x s ILE 82 Ca 0.32 -0.37 -0.28 0.00 -2.23 0.00 0.00 60.65 58.09 1a6x s ILE 82 Cb -0.09 -1.00 0.01 0.00 -1.58 0.00 0.00 42.46 39.80 1a6x s ILE 82 CO 0.25 0.11 1.03 -0.69 -1.23 0.00 0.00 174.94 174.41 1a6x s VAL 83 N 1.79 4.55 -0.21 2.92 1.01 0.25 -4.94 120.40 125.77 1a6x s VAL 83 Ca 0.02 1.63 -0.07 0.00 0.00 0.00 0.00 61.98 63.56 1a6x s VAL 83 Cb -0.15 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 1a6x s VAL 83 CO -0.07 -0.45 0.06 -0.13 0.00 0.00 0.00 175.10 174.51 1a6x s ARG 84 N 3.55 3.80 -0.60 2.72 0.52 -1.26 0.19 118.95 127.86 1a6x s ARG 84 Ca 0.43 -0.42 -0.36 0.00 -0.52 0.00 0.00 55.73 54.87 1a6x s ARG 84 Cb -0.12 -3.26 -0.16 0.00 0.52 0.00 0.00 34.95 31.93 1a6x s ARG 84 CO 0.15 0.04 2.35 -1.13 0.02 0.00 0.00 175.30 176.74 1a6x n SER 85 N 4.22 1.19 0.00 0.23 3.41 0.13 -4.72 113.62 118.08 1a6x n SER 85 Ca -0.16 0.32 0.11 0.00 -0.26 0.00 0.00 58.87 58.88 1a6x n SER 85 Cb 0.52 -1.09 0.67 0.00 -0.26 0.00 0.00 64.21 64.05 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 8.18 0.75 -3.64 4.33 -0.04 -1.26 -3.10 135.00 140.22 1a6x n PRO 86 Ca 0.52 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.90 1a6x n PRO 86 Cb 0.13 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.05 1a6x n PRO 86 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1a6x s MET 87 N -2.00 0.67 0.34 0.54 1.75 -1.26 -4.98 119.30 114.36 1a6x s MET 87 Ca 0.34 1.05 -0.28 0.00 -1.25 0.00 0.00 55.69 55.54 1a6x s MET 87 Cb 0.16 0.19 -0.10 0.00 2.84 0.00 0.00 34.83 37.92 1a6x s MET 87 CO 0.26 -0.12 1.31 0.08 -0.65 0.00 0.00 175.02 175.90 1a6x s VAL 88 N 1.22 2.68 0.00 10.11 1.01 -1.26 -4.62 120.40 129.54 1a6x s VAL 88 Ca -0.07 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1a6x s VAL 88 Cb -0.05 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1a6x s VAL 88 CO -0.14 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1a6x n GLY 89 N 0.76 -0.47 3.41 4.51 0.00 -0.54 -4.77 105.19 108.11 1a6x n GLY 89 Ca 0.00 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 1.12 -0.01 2.61 2.01 -0.18 -0.20 115.64 120.98 1a6x s THR 90 Ca 0.00 -2.01 0.00 0.00 0.31 0.00 0.00 61.69 59.99 1a6x s THR 90 Cb 0.00 -2.69 0.01 0.00 0.01 0.00 0.00 72.50 69.83 1a6x s THR 90 CO 0.00 -0.07 0.01 0.12 -0.69 0.00 0.00 174.62 173.99 1a6x s PHE 91 N -3.35 0.06 0.18 4.92 2.19 0.02 -0.79 117.98 121.21 1a6x s PHE 91 Ca 0.35 0.04 0.07 0.00 0.33 0.00 0.00 56.93 57.72 1a6x s PHE 91 Cb 0.08 -0.13 -0.05 0.00 -1.31 0.00 0.00 43.02 41.61 1a6x s PHE 91 CO 0.14 -0.04 -0.13 0.71 1.83 0.00 0.00 175.22 177.73 1a6x s TYR 92 N 0.46 1.54 -0.32 10.12 2.02 0.71 -0.10 117.35 131.79 1a6x s TYR 92 Ca -0.04 -0.64 0.12 0.00 -0.37 0.00 0.00 57.07 56.14 1a6x s TYR 92 Cb -0.06 -0.74 -0.15 0.00 -0.40 0.00 0.00 41.96 40.61 1a6x s TYR 92 CO -0.01 0.25 0.39 0.54 -1.57 0.00 0.00 175.55 175.15 1a6x n ARG 93 N -0.27 2.01 -4.18 -0.62 5.12 -1.26 -1.33 116.66 116.12 1a6x n ARG 93 Ca -0.09 -0.05 -0.14 0.00 -1.93 0.00 0.00 57.85 55.64 1a6x n ARG 93 Cb 0.60 -1.14 -0.11 0.00 -1.16 0.00 0.00 32.46 30.65 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 -2.39 0.94 0.17 0.55 -4.23 -1.26 -1.13 115.64 108.29 1a6x s THR 94 Ca 0.01 -1.65 0.12 0.00 -1.18 0.00 0.00 61.69 58.99 1a6x s THR 94 Cb 0.08 -1.37 -0.03 0.00 1.34 0.00 0.00 72.50 72.52 1a6x s THR 94 CO 0.48 -0.56 1.54 1.55 -0.54 0.00 0.00 174.62 177.08 1a6x h PRO 95 N 3.55 0.00 -4.45 3.99 0.13 -1.92 -3.47 132.00 129.82 1a6x h PRO 95 Ca -0.37 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.40 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 0.65 -0.32 0.45 -0.23 0.00 0.00 178.00 179.08 1a6x s SER 96 N -6.69 1.22 -0.08 1.44 0.15 -1.26 -5.07 113.70 103.41 1a6x s SER 96 Ca 0.00 -1.60 -0.26 0.00 0.70 0.00 0.00 55.95 54.79 1a6x s SER 96 Cb 0.11 0.61 -0.22 0.00 -1.71 0.00 0.00 66.02 64.82 1a6x s SER 96 CO 0.76 -1.19 0.96 1.55 1.20 0.00 0.00 173.24 176.52 1a6x h PRO 97 N 2.13 -0.03 -1.72 5.44 0.13 -1.98 -3.28 132.00 132.69 1a6x h PRO 97 Ca -0.27 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.32 1a6x h PRO 97 Cb 1.24 0.01 -0.21 0.00 0.13 0.00 0.00 31.00 32.17 1a6x h PRO 97 CO 0.38 0.66 0.62 -0.40 -0.23 0.00 0.00 178.00 179.04 1a6x n ASP 98 N -4.75 6.90 -4.42 1.44 5.75 -1.26 -4.90 116.55 115.31 1a6x n ASP 98 Ca -0.09 -3.40 -0.21 0.00 -0.01 0.00 0.00 54.79 51.08 1a6x n ASP 98 Cb 0.35 -1.12 -0.10 0.00 -1.03 0.00 0.00 41.12 39.22 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a6x s ALA 99 N -2.59 2.27 0.87 2.12 0.00 -1.24 -5.15 121.76 118.05 1a6x s ALA 99 Ca 0.52 -1.91 -0.12 0.00 0.00 0.00 0.00 51.96 50.45 1a6x s ALA 99 Cb 0.38 0.31 0.12 0.00 0.00 0.00 0.00 23.12 23.93 1a6x s ALA 99 CO -0.18 -0.14 1.14 0.15 0.00 0.00 0.00 175.76 176.73 1a6x s LYS 100 N -3.77 1.44 -0.05 0.00 -0.14 -1.26 -4.88 119.74 111.08 1a6x s LYS 100 Ca 0.30 0.32 -0.20 0.00 -1.36 0.00 0.00 55.97 55.04 1a6x s LYS 100 Cb 0.05 -1.87 -0.05 0.00 -1.68 0.00 0.00 37.83 34.28 1a6x s LYS 100 CO 0.12 -2.00 0.56 0.00 -0.76 0.00 0.00 175.35 173.27 1a6x s ALA 101 N -3.30 3.48 0.28 5.17 0.00 -1.26 -4.42 121.76 121.71 1a6x s ALA 101 Ca 0.63 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1a6x s ALA 101 Cb -0.14 -2.71 0.55 0.00 0.00 0.00 0.00 23.12 20.81 1a6x s ALA 101 CO 0.53 0.10 1.84 0.74 0.00 0.00 0.00 175.76 178.97 1a6x h PHE 102 N 6.05 1.15 -2.78 0.00 0.04 -1.48 -3.36 116.94 116.57 1a6x h PHE 102 Ca -0.44 0.03 -0.52 0.00 2.80 0.00 0.00 57.97 59.85 1a6x h PHE 102 Cb 1.19 -0.37 -0.40 0.00 2.20 0.00 0.00 35.95 38.58 1a6x h PHE 102 CO 0.65 0.47 -0.77 -1.50 -0.60 0.00 0.00 178.31 176.55 1a6x s ILE 103 N -5.96 -0.09 -0.13 -0.55 2.07 -1.26 -4.88 121.20 110.40 1a6x s ILE 103 Ca -0.12 -0.71 -0.24 0.00 -1.41 0.00 0.00 60.65 58.17 1a6x s ILE 103 Cb 0.22 -0.96 -0.02 0.00 0.13 0.00 0.00 42.46 41.83 1a6x s ILE 103 CO 0.81 -0.69 0.76 -1.61 -1.91 0.00 0.00 174.94 172.30 1a6x s GLU 104 N 2.11 4.34 -0.49 3.50 0.41 -1.26 -4.94 118.70 122.37 1a6x s GLU 104 Ca 0.09 0.92 -0.45 0.00 -0.41 0.00 0.00 54.97 55.11 1a6x s GLU 104 Cb -0.16 -3.53 -0.19 0.00 -1.78 0.00 0.00 34.13 28.47 1a6x s GLU 104 CO -0.35 -0.17 1.79 0.28 -0.49 0.00 0.00 175.26 176.31 1a6x n VAL 105 N 4.38 0.00 0.00 2.63 0.31 -1.26 -1.40 118.33 122.99 1a6x n VAL 105 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1a6x n VAL 105 Cb 0.50 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 5.32 1.60 3.40 2.92 0.00 -1.26 -5.12 105.19 112.05 1a6x n GLY 106 Ca 0.40 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.16 1.49 0.38 1.61 -0.44 -0.49 -5.03 119.66 117.02 1a6x s GLN 107 Ca 0.00 -1.75 0.08 0.00 -2.50 0.00 0.00 55.36 51.19 1a6x s GLN 107 Cb 0.00 -1.05 -0.05 0.00 -1.64 0.00 0.00 33.01 30.27 1a6x s GLN 107 CO 0.00 0.02 0.14 0.21 0.50 0.00 0.00 175.29 176.16 1a6x s LYS 108 N -3.75 2.23 -0.02 1.67 2.20 -1.26 -2.72 119.74 118.09 1a6x s LYS 108 Ca 0.29 -1.76 -0.12 0.00 -0.36 0.00 0.00 55.97 54.01 1a6x s LYS 108 Cb 0.04 -2.01 0.02 0.00 -1.51 0.00 0.00 37.83 34.36 1a6x s LYS 108 CO 0.11 -0.02 0.26 0.14 -0.36 0.00 0.00 175.35 175.48 1a6x s VAL 109 N -2.55 0.06 0.05 4.02 -7.23 0.02 -5.00 120.40 109.78 1a6x s VAL 109 Ca 0.39 -0.48 0.06 0.00 -1.81 0.00 0.00 61.98 60.14 1a6x s VAL 109 Cb 0.02 -0.55 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 1a6x s VAL 109 CO 0.22 -0.27 -0.17 0.20 -0.31 0.00 0.00 175.10 174.77 1a6x s ASN 110 N -1.20 2.09 -0.57 4.85 0.01 -1.26 -0.80 114.94 118.06 1a6x s ASN 110 Ca -0.13 -0.54 -0.42 0.00 -0.71 0.00 0.00 52.86 51.07 1a6x s ASN 110 Cb -0.06 -0.14 -0.19 0.00 0.41 0.00 0.00 41.25 41.27 1a6x s ASN 110 CO 0.03 0.07 2.21 0.52 -1.51 0.00 0.00 177.10 178.42 1a6x n VAL 111 N 1.67 0.00 0.00 1.60 0.31 -1.26 0.60 118.33 121.25 1a6x n VAL 111 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1a6x n VAL 111 Cb 0.54 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 7.33 1.65 3.81 2.92 0.00 -0.42 -5.00 105.19 115.47 1a6x n GLY 112 Ca 0.56 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.48 6.88 0.41 1.61 -0.00 0.20 -4.76 116.67 119.54 1a6x s ASP 113 Ca 0.00 1.05 -0.26 0.00 -0.00 0.00 0.00 52.55 53.33 1a6x s ASP 113 Cb 0.00 -2.30 -0.10 0.00 -0.00 0.00 0.00 42.92 40.52 1a6x s ASP 113 CO 0.00 0.25 1.39 0.41 -0.00 0.00 0.00 175.17 177.22 1a6x n THR 114 N 2.13 2.45 -0.04 -1.27 -1.04 -1.26 0.22 114.28 115.47 1a6x n THR 114 Ca -0.11 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.35 1a6x n THR 114 Cb 0.52 -1.78 -0.05 0.00 -1.82 0.00 0.00 70.33 67.19 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 0.17 0.79 0.00 -4.42 -0.00 0.35 -4.70 117.00 109.19 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 0.40 0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1a6x n LEU 115 CO 0.61 0.31 0.00 0.00 -0.00 0.00 0.00 177.39 178.31 1a6x s ILE 117 N -2.96 0.93 -0.02 0.00 1.01 -0.44 -0.09 121.20 119.63 1a6x s ILE 117 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 60.65 58.90 1a6x s ILE 117 Cb 0.00 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 41.00 1a6x s ILE 117 CO 0.00 -0.64 -0.01 -0.69 0.00 0.00 0.00 174.94 173.60 1a6x s VAL 118 N -2.77 0.17 -0.14 2.92 1.01 0.13 -0.21 120.40 121.51 1a6x s VAL 118 Ca 0.08 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.94 1a6x s VAL 118 Cb -0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 1a6x s VAL 118 CO -0.01 0.11 0.33 -0.70 0.00 0.00 0.00 175.10 174.83 1a6x s GLU 119 N 0.63 4.22 0.05 2.72 2.12 0.03 0.23 118.70 128.69 1a6x s GLU 119 Ca -0.06 0.18 -0.28 0.00 0.36 0.00 0.00 54.97 55.17 1a6x s GLU 119 Cb -0.09 -3.41 0.09 0.00 0.26 0.00 0.00 34.13 30.99 1a6x s GLU 119 CO -0.01 0.27 1.05 0.00 -0.54 0.00 0.00 175.26 176.03 1a6x s ALA 120 N 0.34 -1.88 -1.65 6.30 0.00 -0.54 -1.02 121.76 123.32 1a6x s ALA 120 Ca 0.19 0.58 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 1a6x s ALA 120 Cb -0.14 0.45 0.10 0.00 0.00 0.00 0.00 23.12 23.53 1a6x s ALA 120 CO 0.06 -0.94 0.37 0.00 0.00 0.00 0.00 175.76 175.26 1a6x n MET 121 N -0.40 -1.64 -4.18 0.00 0.00 -1.26 0.30 117.12 109.94 1a6x n MET 121 Ca -0.07 0.20 -0.32 0.00 0.00 0.00 0.00 57.70 57.52 1a6x n MET 121 Cb 0.61 -4.32 -0.06 0.00 0.00 0.00 0.00 33.22 29.45 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 -4.37 -1.41 -3.58 3.17 4.76 -1.26 -4.90 118.16 110.56 1a6x n LYS 122 Ca -0.13 0.17 -0.07 0.00 -2.87 0.00 0.00 58.31 55.42 1a6x n LYS 122 Cb 0.59 -3.68 -0.04 0.00 -1.84 0.00 0.00 35.03 30.07 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 -7.15 0.44 0.35 1.97 -1.94 0.15 -5.16 119.30 107.95 1a6x s MET 123 Ca 0.08 -0.03 -0.25 0.00 -1.71 0.00 0.00 55.69 53.78 1a6x s MET 123 Cb -0.04 0.20 -0.10 0.00 2.01 0.00 0.00 34.83 36.91 1a6x s MET 123 CO 0.97 -0.16 0.99 -1.64 -0.01 0.00 0.00 175.02 175.16 1a6x s MET 124 N -1.79 4.44 -0.31 2.03 -1.94 -1.26 -1.47 119.30 118.99 1a6x s MET 124 Ca 0.05 1.42 -0.03 0.00 -1.71 0.00 0.00 55.69 55.42 1a6x s MET 124 Cb -0.01 -2.72 0.11 0.00 2.01 0.00 0.00 34.83 34.22 1a6x s MET 124 CO -0.04 0.12 0.15 -0.80 -0.01 0.00 0.00 175.02 174.45 1a6x s ASN 125 N -1.56 3.41 0.66 3.03 0.01 0.13 -4.92 114.94 115.70 1a6x s ASN 125 Ca 0.53 -1.57 -0.15 0.00 -0.71 0.00 0.00 52.86 50.96 1a6x s ASN 125 Cb -0.20 -0.40 0.00 0.00 0.41 0.00 0.00 41.25 41.06 1a6x s ASN 125 CO 0.26 -0.40 1.11 -1.10 -1.51 0.00 0.00 177.10 175.46 1a6x s GLN 126 N 1.78 2.79 -0.21 -0.60 -0.21 -1.26 0.23 119.66 122.16 1a6x s GLN 126 Ca 0.12 1.39 -0.00 0.00 0.02 0.00 0.00 55.36 56.88 1a6x s GLN 126 Cb -0.18 -1.95 0.02 0.00 1.00 0.00 0.00 33.01 31.90 1a6x s GLN 126 CO -0.26 -1.26 -0.13 0.42 -2.12 0.00 0.00 175.29 171.94 1a6x s ILE 127 N -2.35 2.46 -0.36 1.08 1.01 0.88 -4.84 121.20 119.08 1a6x s ILE 127 Ca 0.67 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 60.16 1a6x s ILE 127 Cb -0.20 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.11 1a6x s ILE 127 CO 0.42 0.37 0.52 -0.70 0.00 0.00 0.00 174.94 175.55 1a6x s GLU 128 N 1.30 3.59 0.06 2.79 -6.30 -1.26 -0.50 118.70 118.39 1a6x s GLU 128 Ca 0.02 -0.19 -0.36 0.00 -2.50 0.00 0.00 54.97 51.94 1a6x s GLU 128 Cb -0.15 -3.82 -0.19 0.00 0.00 0.00 0.00 34.13 29.97 1a6x s GLU 128 CO -0.09 -0.66 0.90 0.00 0.02 0.00 0.00 175.26 175.43 1a6x n ALA 129 N 5.76 -3.41 -0.30 6.30 0.00 0.13 -4.71 120.51 124.28 1a6x n ALA 129 Ca -0.05 0.55 0.02 0.00 0.00 0.00 0.00 53.44 53.96 1a6x n ALA 129 Cb 0.49 -1.72 0.02 0.00 0.00 0.00 0.00 19.45 18.24 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 1.65 1.82 -3.04 0.00 -0.08 -1.26 -1.31 116.55 114.34 1a6x n ASP 130 Ca 0.19 -2.08 -0.09 0.00 -1.51 0.00 0.00 54.79 51.31 1a6x n ASP 130 Cb 0.13 -0.07 -0.03 0.00 2.34 0.00 0.00 41.12 43.49 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 -1.18 0.94 0.15 -0.67 2.20 -1.26 -4.91 119.74 115.01 1a6x s LYS 131 Ca 0.05 -1.10 -0.29 0.00 -0.36 0.00 0.00 55.97 54.27 1a6x s LYS 131 Cb 0.04 -0.38 -0.17 0.00 -1.51 0.00 0.00 37.83 35.82 1a6x s LYS 131 CO 0.00 -1.30 0.60 -1.13 -0.36 0.00 0.00 175.35 173.17 1a6x n SER 132 N 3.35 -0.93 0.00 1.43 3.41 -1.26 -4.84 113.62 114.78 1a6x n SER 132 Ca 0.18 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 1a6x n SER 132 Cb 0.53 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 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 1.78 -1.16 3.72 5.00 0.00 0.02 -4.94 105.19 109.61 1a6x n GLY 133 Ca 0.17 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.47 2.33 0.87 2.61 2.01 -1.26 -0.80 115.64 118.93 1a6x s THR 134 Ca 0.00 -1.75 -0.11 0.00 0.31 0.00 0.00 61.69 60.14 1a6x s THR 134 Cb 0.00 -2.98 0.12 0.00 0.01 0.00 0.00 72.50 69.65 1a6x s THR 134 CO 0.00 -0.02 1.15 0.54 -0.69 0.00 0.00 174.62 175.59 1a6x s VAL 135 N -2.60 2.29 0.00 3.82 0.11 -1.10 0.19 120.40 123.11 1a6x s VAL 135 Ca 0.40 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1a6x s VAL 135 Cb 0.04 -2.27 0.00 0.00 -1.53 0.00 0.00 36.38 32.62 1a6x s VAL 135 CO 0.22 -0.12 0.00 1.17 -3.33 0.00 0.00 175.10 173.04 1a6x n LYS 136 N -3.94 0.00 0.00 1.54 0.00 -0.52 -3.93 118.16 111.31 1a6x n LYS 136 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.43 1a6x n LYS 136 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 35.03 35.44 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 -2.21 0.00 -2.78 3.14 0.00 -0.13 -4.98 120.51 113.56 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 0.00 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 -0.25 5.22 -0.27 0.00 1.01 -1.26 0.19 121.20 125.84 1a6x s ILE 138 Ca 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.68 1a6x s ILE 138 Cb 0.00 -3.35 -0.14 0.00 0.01 0.00 0.00 42.46 38.98 1a6x s ILE 138 CO 0.00 0.48 -0.31 0.18 0.00 0.00 0.00 174.94 175.29 1a6x n LEU 139 N 3.22 2.29 -4.82 2.97 4.77 -0.36 -4.94 117.00 120.13 1a6x n LEU 139 Ca -0.17 0.18 -0.33 0.00 -0.03 0.00 0.00 56.01 55.66 1a6x n LEU 139 Cb 0.53 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 1a6x n LEU 139 CO 0.35 0.70 0.70 0.54 -1.33 0.00 0.00 177.39 178.35 1a6x s VAL 140 N -2.51 4.11 0.38 4.08 0.11 -0.21 -5.05 120.40 121.31 1a6x s VAL 140 Ca -0.37 1.08 0.08 0.00 -2.93 0.00 0.00 61.98 59.84 1a6x s VAL 140 Cb 0.13 -3.53 -0.02 0.00 -1.53 0.00 0.00 36.38 31.43 1a6x s VAL 140 CO 0.52 -0.51 0.38 -0.70 -3.33 0.00 0.00 175.10 171.47 1a6x s GLU 141 N -3.85 2.68 -1.06 1.54 -6.30 -1.26 -4.96 118.70 105.50 1a6x s GLU 141 Ca 0.62 -1.37 -0.22 0.00 -2.50 0.00 0.00 54.97 51.50 1a6x s GLU 141 Cb -0.13 -2.50 0.05 0.00 0.00 0.00 0.00 34.13 31.55 1a6x s GLU 141 CO 0.30 -0.08 1.50 0.45 0.02 0.00 0.00 175.26 177.44 1a6x s SER 142 N -4.12 6.53 0.00 -1.70 0.15 -1.26 -2.46 113.70 110.84 1a6x s SER 142 Ca 0.46 -1.58 0.00 0.00 0.70 0.00 0.00 55.95 55.53 1a6x s SER 142 Cb -0.05 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1a6x s SER 142 CO 0.28 -1.48 0.00 0.61 1.20 0.00 0.00 173.24 173.85 1a6x n GLY 143 N 6.68 0.85 3.83 9.45 0.00 0.86 -4.86 105.19 122.00 1a6x n GLY 143 Ca 0.35 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 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 4.15 0.66 1.61 0.74 -1.03 -4.76 119.66 121.04 1a6x s GLN 144 Ca 0.00 1.05 -0.12 0.00 0.05 0.00 0.00 55.36 56.34 1a6x s GLN 144 Cb 0.00 -2.19 -0.01 0.00 1.10 0.00 0.00 33.01 31.91 1a6x s GLN 144 CO 0.00 -0.07 1.06 -1.25 -0.55 0.00 0.00 175.29 174.48 1a6x s PRO 145 N -3.35 3.08 0.06 1.67 0.04 -1.26 -0.80 135.00 134.44 1a6x s PRO 145 Ca 0.61 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1a6x s PRO 145 Cb -0.09 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1a6x s PRO 145 CO 0.17 -0.99 -0.04 0.14 0.04 0.00 0.00 177.00 176.31 1a6x s VAL 146 N -2.88 0.37 0.07 -0.36 -7.23 0.72 -4.77 120.40 106.32 1a6x s VAL 146 Ca 0.59 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 59.11 1a6x s VAL 146 Cb -0.14 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 1a6x s VAL 146 CO 0.49 -0.86 -0.13 -1.61 -0.31 0.00 0.00 175.10 172.69 1a6x s GLU 147 N -3.45 0.77 0.31 4.82 2.02 -1.26 -1.46 118.70 120.44 1a6x s GLU 147 Ca 0.05 -0.94 -0.29 0.00 0.02 0.00 0.00 54.97 53.81 1a6x s GLU 147 Cb 0.04 -0.70 -0.11 0.00 0.10 0.00 0.00 34.13 33.46 1a6x s GLU 147 CO -0.07 0.15 1.53 0.12 0.02 0.00 0.00 175.26 177.01 1a6x s PHE 148 N -1.40 2.75 0.00 1.61 2.19 -1.26 -1.07 117.98 120.80 1a6x s PHE 148 Ca -0.03 0.95 0.00 0.00 0.33 0.00 0.00 56.93 58.18 1a6x s PHE 148 Cb -0.09 -4.01 0.00 0.00 -1.31 0.00 0.00 43.02 37.61 1a6x s PHE 148 CO 0.02 -3.23 0.00 -3.47 1.83 0.00 0.00 175.22 170.37 1a6x n ASP 149 N 1.63 0.00 -4.87 6.13 -0.08 -1.18 -5.01 116.55 113.17 1a6x n ASP 149 Ca 0.05 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.01 1a6x n ASP 149 Cb 0.38 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.79 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 -0.24 3.80 0.77 -0.67 2.02 -0.23 -4.90 118.70 119.24 1a6x s GLU 150 Ca 0.00 0.25 -0.11 0.00 0.02 0.00 0.00 54.97 55.13 1a6x s GLU 150 Cb 0.00 -2.71 0.05 0.00 0.10 0.00 0.00 34.13 31.57 1a6x s GLU 150 CO 0.00 0.36 1.08 -1.25 0.02 0.00 0.00 175.26 175.48 1a6x s PRO 151 N -2.67 2.36 0.00 0.39 0.04 -1.26 0.23 135.00 134.08 1a6x s PRO 151 Ca 0.45 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1a6x s PRO 151 Cb -0.12 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1a6x s PRO 151 CO 0.21 -1.46 0.00 1.28 0.04 0.00 0.00 177.00 177.08 1a6x n LEU 152 N -3.34 0.00 -4.38 -3.56 4.77 0.50 -4.58 117.00 106.41 1a6x n LEU 152 Ca 0.07 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.76 1a6x n LEU 152 Cb 0.55 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.51 1a6x n LEU 152 CO 0.56 0.00 -0.57 -0.69 -1.33 0.00 0.00 177.39 175.36 1a6x s VAL 153 N 0.00 2.22 -0.26 4.08 1.01 -1.21 -1.05 120.40 125.19 1a6x s VAL 153 Ca 0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 61.98 60.21 1a6x s VAL 153 Cb 0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1a6x s VAL 153 CO 0.00 0.13 0.09 -0.69 0.00 0.00 0.00 175.10 174.63 1a6x s VAL 154 N -1.02 4.46 0.31 2.92 1.01 0.52 -0.58 120.40 128.02 1a6x s VAL 154 Ca 0.13 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1a6x s VAL 154 Cb -0.10 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1a6x s VAL 154 CO 0.05 0.31 0.36 -0.63 0.00 0.00 0.00 175.10 175.19 1a6x s ILE 155 N 1.63 4.05 0.00 2.22 1.09 0.14 -0.95 121.20 129.38 1a6x s ILE 155 Ca 0.06 -1.19 0.00 0.00 -1.10 0.00 0.00 60.65 58.43 1a6x s ILE 155 Cb -0.15 -3.38 0.00 0.00 -1.06 0.00 0.00 42.46 37.87 1a6x s ILE 155 CO 0.05 -0.21 0.28 -1.84 -0.10 0.00 0.00 174.94 173.12