#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 0.00 0.03 0.00 -1.26 -4.97 120.64 114.44 1a6x n GLU 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1a6x n GLU 71 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a6x n ALA 72 N 0.68 0.00 0.04 -1.84 0.00 -1.26 -4.99 120.51 113.14 1a6x n ALA 72 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1a6x n ALA 72 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 -0.21 0.00 0.00 0.13 -2.00 -3.49 132.00 126.43 1a6x h PRO 73 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1a6x h PRO 73 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1a6x h PRO 73 CO 0.00 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 177.92 1a6x n ALA 74 N -2.65 0.00 -3.06 -0.56 0.00 -1.26 -5.01 120.51 107.97 1a6x n ALA 74 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 1a6x n ALA 74 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.95 1.25 -4.00 0.00 0.00 -1.26 -4.98 120.51 108.57 1a6x n ALA 75 Ca 0.00 -2.85 -0.41 0.00 0.00 0.00 0.00 53.44 50.18 1a6x n ALA 75 Cb 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.48 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 0.66 -2.67 -2.84 0.00 0.00 -1.26 -3.51 120.51 110.89 1a6x n ALA 76 Ca 0.19 -0.51 -0.03 0.00 0.00 0.00 0.00 53.44 53.10 1a6x n ALA 76 Cb 0.64 -2.12 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 1a6x n ALA 76 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a6x n GLU 77 N -4.42 -2.96 -5.13 0.00 -0.58 -1.26 -4.99 120.64 101.29 1a6x n GLU 77 Ca -0.17 2.38 -0.32 0.00 -0.42 0.00 0.00 57.16 58.64 1a6x n GLU 77 Cb 0.60 -3.19 -0.16 0.00 -0.57 0.00 0.00 31.44 28.12 1a6x n GLU 77 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1a6x s ILE 78 N -0.52 2.35 -0.01 -3.67 -1.16 -1.23 -5.12 121.20 111.84 1a6x s ILE 78 Ca -0.14 -0.95 0.02 0.00 -0.51 0.00 0.00 60.65 59.07 1a6x s ILE 78 Cb 0.01 -1.89 0.00 0.00 0.61 0.00 0.00 42.46 41.19 1a6x s ILE 78 CO 0.44 0.56 -0.05 -0.55 -2.81 0.00 0.00 174.94 172.53 1a6x s SER 79 N -0.08 0.66 0.00 4.50 0.15 -1.26 -5.03 113.70 112.63 1a6x s SER 79 Ca -0.05 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1a6x s SER 79 Cb -0.14 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1a6x s SER 79 CO 0.04 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1a6x n GLY 80 N 3.13 -3.26 3.02 9.45 0.00 0.27 -4.99 105.19 112.81 1a6x n GLY 80 Ca -0.15 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.23 3.48 -0.19 1.61 2.46 0.13 -4.92 115.29 117.63 1a6x s HIS 81 Ca 0.00 -2.94 -0.26 0.00 0.47 0.00 0.00 55.06 52.33 1a6x s HIS 81 Cb 0.00 -2.97 -0.01 0.00 -0.13 0.00 0.00 32.58 29.47 1a6x s HIS 81 CO 0.00 -0.86 0.88 0.42 -2.47 0.00 0.00 174.74 172.70 1a6x s ILE 82 N 0.36 4.83 -0.32 0.89 -1.09 -1.26 -1.04 121.20 123.57 1a6x s ILE 82 Ca 0.14 1.71 -0.21 0.00 -2.23 0.00 0.00 60.65 60.05 1a6x s ILE 82 Cb -0.22 -4.17 -0.00 0.00 -1.58 0.00 0.00 42.46 36.48 1a6x s ILE 82 CO -0.04 -0.03 0.69 -0.69 -1.23 0.00 0.00 174.94 173.64 1a6x s VAL 83 N 2.44 4.87 -0.22 2.92 1.01 0.05 -4.98 120.40 126.48 1a6x s VAL 83 Ca 0.39 0.89 -0.08 0.00 0.00 0.00 0.00 61.98 63.18 1a6x s VAL 83 Cb -0.16 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1a6x s VAL 83 CO 0.11 -0.23 0.08 -0.13 0.00 0.00 0.00 175.10 174.92 1a6x s ARG 84 N 2.76 3.83 -0.94 2.72 0.52 -1.26 0.16 118.95 126.75 1a6x s ARG 84 Ca 0.27 -0.40 -0.32 0.00 -0.52 0.00 0.00 55.73 54.76 1a6x s ARG 84 Cb -0.14 -3.31 -0.21 0.00 0.52 0.00 0.00 34.95 31.81 1a6x s ARG 84 CO 0.13 0.03 2.64 0.45 0.02 0.00 0.00 175.30 178.57 1a6x n SER 85 N 4.30 0.42 0.00 0.23 2.88 0.14 -4.68 113.62 116.90 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 0.52 -0.95 0.69 0.00 -0.75 0.00 0.00 64.21 63.72 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 8.44 0.75 -3.21 -1.46 -0.04 -1.26 -4.04 135.00 134.18 1a6x n PRO 86 Ca 0.64 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 64.14 1a6x n PRO 86 Cb 0.05 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.01 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 0.49 0.35 0.54 1.75 -1.26 -5.01 119.30 114.15 1a6x s MET 87 Ca 0.35 0.91 -0.26 0.00 -1.25 0.00 0.00 55.69 55.44 1a6x s MET 87 Cb 0.16 0.51 -0.13 0.00 2.84 0.00 0.00 34.83 38.21 1a6x s MET 87 CO 0.27 -0.48 0.84 0.28 -0.65 0.00 0.00 175.02 175.27 1a6x n VAL 88 N 5.42 2.04 0.00 10.11 0.31 -1.26 -4.77 118.33 130.18 1a6x n VAL 88 Ca -0.04 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1a6x n VAL 88 Cb 0.51 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 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 1.44 -0.54 2.99 2.92 0.00 -0.40 -4.68 105.19 106.92 1a6x n GLY 89 Ca 0.11 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.31 1.38 -0.07 2.61 2.01 0.38 -0.39 115.64 119.25 1a6x s THR 90 Ca 0.00 -0.52 -0.23 0.00 0.31 0.00 0.00 61.69 61.25 1a6x s THR 90 Cb 0.00 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1a6x s THR 90 CO 0.00 0.43 0.67 0.12 -0.69 0.00 0.00 174.62 175.14 1a6x s PHE 91 N 1.45 3.57 0.07 4.92 2.19 -0.04 -0.09 117.98 130.04 1a6x s PHE 91 Ca 0.02 1.20 0.08 0.00 0.33 0.00 0.00 56.93 58.56 1a6x s PHE 91 Cb -0.13 -2.77 -0.03 0.00 -1.31 0.00 0.00 43.02 38.78 1a6x s PHE 91 CO -0.08 0.11 -0.21 0.71 1.83 0.00 0.00 175.22 177.57 1a6x s TYR 92 N 0.75 1.82 -0.33 10.12 2.02 0.22 -0.10 117.35 131.86 1a6x s TYR 92 Ca 0.36 -0.39 0.22 0.00 -0.37 0.00 0.00 57.07 56.89 1a6x s TYR 92 Cb -0.17 -1.05 -0.16 0.00 -0.40 0.00 0.00 41.96 40.17 1a6x s TYR 92 CO 0.17 0.14 0.78 0.54 -1.57 0.00 0.00 175.55 175.61 1a6x n ARG 93 N 1.53 0.48 -4.21 -0.62 5.12 -1.26 -1.04 116.66 116.66 1a6x n ARG 93 Ca -0.18 -0.07 -0.16 0.00 -1.93 0.00 0.00 57.85 55.52 1a6x n ARG 93 Cb 0.53 -1.59 -0.11 0.00 -1.16 0.00 0.00 32.46 30.13 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 -3.35 1.10 -0.02 0.55 -4.23 -1.26 -1.28 115.64 107.16 1a6x s THR 94 Ca -0.02 -1.70 0.21 0.00 -1.18 0.00 0.00 61.69 59.01 1a6x s THR 94 Cb 0.14 -1.46 0.20 0.00 1.34 0.00 0.00 72.50 72.72 1a6x s THR 94 CO 0.85 -0.52 1.69 1.55 -0.54 0.00 0.00 174.62 177.66 1a6x h PRO 95 N 3.49 0.00 -4.27 3.99 0.13 -1.88 -3.47 132.00 130.00 1a6x h PRO 95 Ca -0.38 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.56 1a6x h PRO 95 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1a6x h PRO 95 CO 0.53 0.28 -0.43 -1.12 -0.23 0.00 0.00 178.00 177.03 1a6x s SER 96 N -6.26 0.17 0.30 1.44 0.01 -1.26 -5.05 113.70 103.06 1a6x s SER 96 Ca 0.02 -1.26 0.15 0.00 1.31 0.00 0.00 55.95 56.17 1a6x s SER 96 Cb 0.09 0.47 0.37 0.00 0.21 0.00 0.00 66.02 67.16 1a6x s SER 96 CO 0.67 -0.97 1.59 1.55 0.41 0.00 0.00 173.24 176.49 1a6x h PRO 97 N 2.45 0.00 -1.24 12.44 0.13 -1.98 -3.20 132.00 140.60 1a6x h PRO 97 Ca -0.32 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.21 1a6x h PRO 97 Cb 1.25 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.98 1a6x h PRO 97 CO 0.46 0.53 -0.45 -0.40 -0.23 0.00 0.00 178.00 177.90 1a6x n ASP 98 N -3.48 5.33 -4.10 1.44 5.68 -1.26 -5.00 116.55 115.15 1a6x n ASP 98 Ca 0.00 -3.75 -0.17 0.00 -0.50 0.00 0.00 54.79 50.37 1a6x n ASP 98 Cb 0.63 -0.52 -0.13 0.00 -1.14 0.00 0.00 41.12 39.97 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 -3.64 0.91 1.14 2.12 0.00 -1.21 -5.14 121.76 115.93 1a6x s ALA 99 Ca 0.51 -0.78 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 1a6x s ALA 99 Cb 0.42 -0.08 0.19 0.00 0.00 0.00 0.00 23.12 23.64 1a6x s ALA 99 CO -0.11 0.12 0.32 1.63 0.00 0.00 0.00 175.76 177.72 1a6x n LYS 100 N 1.73 -2.44 -3.44 0.00 5.02 -1.26 -4.77 118.16 113.01 1a6x n LYS 100 Ca -0.20 -0.71 -0.37 0.00 -2.02 0.00 0.00 58.31 55.01 1a6x n LYS 100 Cb 0.55 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 1a6x n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a6x s ALA 101 N -2.17 3.58 0.28 7.82 0.00 -1.26 -4.50 121.76 125.52 1a6x s ALA 101 Ca 0.51 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.22 1a6x s ALA 101 Cb -0.11 -2.49 0.65 0.00 0.00 0.00 0.00 23.12 21.18 1a6x s ALA 101 CO 0.53 0.18 1.75 0.74 0.00 0.00 0.00 175.76 178.95 1a6x h PHE 102 N 6.10 0.82 -3.64 0.00 0.04 -1.55 -3.39 116.94 115.32 1a6x h PHE 102 Ca -0.44 0.04 -0.48 0.00 2.80 0.00 0.00 57.97 59.88 1a6x h PHE 102 Cb 1.19 -0.22 -0.32 0.00 2.20 0.00 0.00 35.95 38.79 1a6x h PHE 102 CO 0.64 0.13 -0.80 0.42 -0.60 0.00 0.00 178.31 178.09 1a6x s ILE 103 N -5.91 0.99 -0.24 -0.55 1.01 -1.26 -4.92 121.20 110.32 1a6x s ILE 103 Ca -0.12 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 1a6x s ILE 103 Cb 0.24 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 1a6x s ILE 103 CO 0.79 0.31 0.01 -0.70 0.00 0.00 0.00 174.94 175.34 1a6x s GLU 104 N 0.43 3.45 -0.49 2.79 -6.30 -1.26 -5.03 118.70 112.28 1a6x s GLU 104 Ca -0.09 -0.59 -0.46 0.00 -2.50 0.00 0.00 54.97 51.33 1a6x s GLU 104 Cb -0.12 -3.15 -0.19 0.00 0.00 0.00 0.00 34.13 30.66 1a6x s GLU 104 CO 0.02 -0.22 1.80 0.28 0.02 0.00 0.00 175.26 177.16 1a6x n VAL 105 N 4.85 0.01 0.00 3.70 0.31 -1.26 -1.98 118.33 123.96 1a6x n VAL 105 Ca -0.17 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1a6x n VAL 105 Cb 0.51 -0.54 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 5.23 1.95 3.14 2.92 0.00 -1.26 -5.11 105.19 112.06 1a6x n GLY 106 Ca 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.57 0.75 0.36 1.61 0.74 -0.84 -5.04 119.66 116.67 1a6x s GLN 107 Ca 0.00 -1.23 0.07 0.00 0.05 0.00 0.00 55.36 54.25 1a6x s GLN 107 Cb 0.00 -0.14 -0.01 0.00 1.10 0.00 0.00 33.01 33.96 1a6x s GLN 107 CO 0.00 -0.03 0.47 0.21 -0.55 0.00 0.00 175.29 175.39 1a6x s LYS 108 N -3.51 2.99 -0.02 1.67 2.20 -1.26 -3.29 119.74 118.52 1a6x s LYS 108 Ca 0.08 -1.11 -0.05 0.00 -0.36 0.00 0.00 55.97 54.52 1a6x s LYS 108 Cb 0.03 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 1a6x s LYS 108 CO -0.05 -0.01 0.11 0.14 -0.36 0.00 0.00 175.35 175.18 1a6x s VAL 109 N -2.24 0.05 0.05 4.02 -7.23 0.37 -4.99 120.40 110.42 1a6x s VAL 109 Ca 0.47 -0.39 0.05 0.00 -1.81 0.00 0.00 61.98 60.30 1a6x s VAL 109 Cb -0.09 -0.29 -0.02 0.00 0.56 0.00 0.00 36.38 36.54 1a6x s VAL 109 CO 0.31 -0.21 -0.14 0.21 -0.31 0.00 0.00 175.10 174.95 1a6x s ASN 110 N -0.70 1.69 -0.54 4.85 2.47 -1.26 -0.87 114.94 120.58 1a6x s ASN 110 Ca -0.08 -0.49 -0.42 0.00 0.42 0.00 0.00 52.86 52.29 1a6x s ASN 110 Cb -0.05 -0.10 -0.19 0.00 -1.45 0.00 0.00 41.25 39.47 1a6x s ASN 110 CO 0.01 0.02 2.19 0.52 -3.72 0.00 0.00 177.10 176.11 1a6x n VAL 111 N 1.78 0.01 0.00 -5.21 0.31 -1.26 -0.21 118.33 113.75 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 0.55 -0.56 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 1.17 3.84 2.92 0.00 -1.22 -5.02 105.19 114.24 1a6x n GLY 112 Ca 0.55 0.00 -0.37 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 -1.22 6.49 0.38 1.61 1.11 0.71 -4.87 116.67 120.87 1a6x s ASP 113 Ca 0.00 0.59 -0.27 0.00 0.18 0.00 0.00 52.55 53.04 1a6x s ASP 113 Cb 0.00 -2.13 -0.10 0.00 1.07 0.00 0.00 42.92 41.76 1a6x s ASP 113 CO 0.00 0.34 1.32 -0.89 1.18 0.00 0.00 175.17 177.12 1a6x s THR 114 N -0.78 2.59 -0.08 -1.27 2.01 -1.26 -0.27 115.64 116.57 1a6x s THR 114 Ca 0.17 0.56 0.05 0.00 0.31 0.00 0.00 61.69 62.77 1a6x s THR 114 Cb -0.13 -3.34 -0.08 0.00 0.01 0.00 0.00 72.50 68.95 1a6x s THR 114 CO 0.06 0.11 -0.01 -0.11 -0.69 0.00 0.00 174.62 173.98 1a6x n LEU 115 N 0.40 0.91 0.00 4.42 7.94 0.42 -4.68 117.00 126.41 1a6x n LEU 115 Ca 0.02 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1a6x n LEU 115 Cb 0.42 0.03 0.00 0.00 0.53 0.00 0.00 43.42 44.40 1a6x n LEU 115 CO 0.58 0.33 0.00 0.00 -1.11 0.00 0.00 177.39 177.19 1a6x s ILE 117 N -2.99 0.88 -0.10 0.00 1.01 -0.20 -0.26 121.20 119.55 1a6x s ILE 117 Ca 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 60.65 58.90 1a6x s ILE 117 Cb 0.00 -1.46 0.04 0.00 0.01 0.00 0.00 42.46 41.05 1a6x s ILE 117 CO 0.00 -0.65 0.02 -0.69 0.00 0.00 0.00 174.94 173.62 1a6x s VAL 118 N -2.79 0.30 -0.18 2.92 1.01 0.14 -0.61 120.40 121.19 1a6x s VAL 118 Ca 0.08 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 1a6x s VAL 118 Cb -0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1a6x s VAL 118 CO -0.01 0.12 0.42 -0.70 0.00 0.00 0.00 175.10 174.93 1a6x s GLU 119 N 1.99 4.22 -0.09 2.72 2.12 0.87 0.23 118.70 130.76 1a6x s GLU 119 Ca 0.04 0.27 -0.15 0.00 0.36 0.00 0.00 54.97 55.49 1a6x s GLU 119 Cb -0.13 -3.51 0.03 0.00 0.26 0.00 0.00 34.13 30.78 1a6x s GLU 119 CO -0.06 0.02 0.37 0.00 -0.54 0.00 0.00 175.26 175.05 1a6x s ALA 120 N 1.12 -0.93 -1.48 6.30 0.00 0.01 -0.47 121.76 126.31 1a6x s ALA 120 Ca 0.21 0.82 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 1a6x s ALA 120 Cb -0.15 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.67 1a6x s ALA 120 CO 0.08 -0.22 0.57 -1.33 0.00 0.00 0.00 175.76 174.86 1a6x n MET 121 N 2.20 -3.57 -4.07 0.00 2.81 -1.26 0.22 117.12 113.45 1a6x n MET 121 Ca -0.16 0.43 -0.33 0.00 -1.81 0.00 0.00 57.70 55.82 1a6x n MET 121 Cb 0.57 -4.79 -0.00 0.00 -0.71 0.00 0.00 33.22 28.29 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 -4.42 -4.23 -3.72 0.03 2.85 -1.26 -4.94 118.16 102.47 1a6x n LYS 122 Ca -0.19 0.48 -0.13 0.00 -1.05 0.00 0.00 58.31 57.42 1a6x n LYS 122 Cb 0.63 -5.24 -0.13 0.00 -0.65 0.00 0.00 35.03 29.63 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 -6.76 0.18 0.24 -1.58 1.75 0.13 -5.14 119.30 108.11 1a6x s MET 123 Ca 0.66 0.54 -0.30 0.00 -1.25 0.00 0.00 55.69 55.35 1a6x s MET 123 Cb -0.35 -0.12 -0.09 0.00 2.84 0.00 0.00 34.83 37.11 1a6x s MET 123 CO 0.88 -0.19 1.10 1.41 -0.65 0.00 0.00 175.02 177.57 1a6x s MET 124 N 1.46 4.63 -0.32 4.11 1.75 -1.26 -0.81 119.30 128.85 1a6x s MET 124 Ca -0.07 1.77 -0.02 0.00 -1.25 0.00 0.00 55.69 56.12 1a6x s MET 124 Cb -0.11 -3.22 0.11 0.00 2.84 0.00 0.00 34.83 34.45 1a6x s MET 124 CO -0.08 0.17 0.15 -0.80 -0.65 0.00 0.00 175.02 173.81 1a6x s ASN 125 N -0.60 3.50 0.81 1.11 0.01 0.13 -4.95 114.94 114.96 1a6x s ASN 125 Ca 0.46 -1.73 -0.12 0.00 -0.71 0.00 0.00 52.86 50.76 1a6x s ASN 125 Cb -0.31 -0.54 0.08 0.00 0.41 0.00 0.00 41.25 40.90 1a6x s ASN 125 CO 0.38 -0.38 1.14 -1.10 -1.51 0.00 0.00 177.10 175.63 1a6x s GLN 126 N 1.55 1.80 -0.19 -0.60 -0.21 -1.26 0.23 119.66 120.98 1a6x s GLN 126 Ca 0.12 1.46 0.01 0.00 0.02 0.00 0.00 55.36 56.97 1a6x s GLN 126 Cb -0.19 -1.82 0.04 0.00 1.00 0.00 0.00 33.01 32.03 1a6x s GLN 126 CO -0.21 -2.03 -0.12 0.42 -2.12 0.00 0.00 175.29 171.23 1a6x s ILE 127 N -2.57 1.70 -0.19 1.08 1.01 0.64 -4.79 121.20 118.08 1a6x s ILE 127 Ca 0.67 -0.96 -0.14 0.00 0.00 0.00 0.00 60.65 60.22 1a6x s ILE 127 Cb -0.22 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1a6x s ILE 127 CO 0.53 0.26 0.30 -0.70 0.00 0.00 0.00 174.94 175.33 1a6x s GLU 128 N 1.39 4.19 0.07 2.79 2.12 -1.26 -0.43 118.70 127.56 1a6x s GLU 128 Ca 0.00 0.05 -0.36 0.00 0.36 0.00 0.00 54.97 55.02 1a6x s GLU 128 Cb -0.15 -3.49 -0.19 0.00 0.26 0.00 0.00 34.13 30.56 1a6x s GLU 128 CO -0.09 0.11 0.91 0.00 -0.54 0.00 0.00 175.26 175.66 1a6x n ALA 129 N 4.02 -3.29 -0.63 6.30 0.00 0.62 -4.82 120.51 122.71 1a6x n ALA 129 Ca -0.11 0.55 0.06 0.00 0.00 0.00 0.00 53.44 53.94 1a6x n ALA 129 Cb 0.52 -1.73 0.14 0.00 0.00 0.00 0.00 19.45 18.37 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 2.75 -2.97 0.00 4.64 -1.26 -3.46 116.55 117.93 1a6x n ASP 130 Ca 0.19 -2.61 0.04 0.00 -1.38 0.00 0.00 54.79 51.03 1a6x n ASP 130 Cb 0.14 -0.32 0.00 0.00 -1.04 0.00 0.00 41.12 39.90 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 1a6x s LYS 131 N -2.07 0.17 0.49 -0.67 2.20 -1.26 -5.00 119.74 113.60 1a6x s LYS 131 Ca 0.25 0.04 -0.17 0.00 -0.36 0.00 0.00 55.97 55.72 1a6x s LYS 131 Cb 0.20 0.04 -0.15 0.00 -1.51 0.00 0.00 37.83 36.42 1a6x s LYS 131 CO 0.06 -0.28 -0.12 -1.13 -0.36 0.00 0.00 175.35 173.52 1a6x n SER 132 N 4.43 -3.56 0.00 1.43 3.41 -1.26 -4.89 113.62 113.19 1a6x n SER 132 Ca 0.08 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1a6x n SER 132 Cb 0.60 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 2.43 -1.99 1.71 5.00 0.00 -0.05 -4.98 105.19 107.30 1a6x n GLY 133 Ca 0.08 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 1a6x n GLY 133 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a6x n THR 134 N -0.21 0.00 -2.93 2.61 -2.24 -1.26 -0.48 114.28 109.77 1a6x n THR 134 Ca 0.00 -0.93 -0.40 0.00 -2.27 0.00 0.00 64.05 60.45 1a6x n THR 134 Cb 0.00 -0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 67.71 1a6x n THR 134 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1a6x s VAL 135 N -1.00 4.32 0.00 2.28 0.11 -1.21 -2.61 120.40 122.29 1a6x s VAL 135 Ca 0.18 1.79 0.00 0.00 -2.93 0.00 0.00 61.98 61.02 1a6x s VAL 135 Cb -0.01 -4.18 0.00 0.00 -1.53 0.00 0.00 36.38 30.66 1a6x s VAL 135 CO 0.12 0.51 0.00 1.17 -3.33 0.00 0.00 175.10 173.57 1a6x n LYS 136 N 1.61 0.00 0.00 1.54 0.00 0.20 -4.59 118.16 116.93 1a6x n LYS 136 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.26 1a6x n LYS 136 Cb 0.48 -0.75 0.00 0.00 0.00 0.00 0.00 35.03 34.77 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 -2.73 0.00 -2.81 3.14 0.00 0.46 -4.96 120.51 113.61 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 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.92 4.78 -0.22 0.00 -1.09 -1.26 0.12 121.20 122.61 1a6x s ILE 138 Ca 0.00 -0.04 0.01 0.00 -2.23 0.00 0.00 60.65 58.39 1a6x s ILE 138 Cb 0.00 -3.13 -0.14 0.00 -1.58 0.00 0.00 42.46 37.61 1a6x s ILE 138 CO 0.00 0.49 -0.20 0.18 -1.23 0.00 0.00 174.94 174.18 1a6x n LEU 139 N 3.22 2.90 -4.84 2.97 4.77 -1.04 -4.96 117.00 120.01 1a6x n LEU 139 Ca -0.17 -0.09 -0.32 0.00 -0.03 0.00 0.00 56.01 55.40 1a6x n LEU 139 Cb 0.53 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1a6x n LEU 139 CO 0.34 0.85 0.71 0.54 -1.33 0.00 0.00 177.39 178.49 1a6x s VAL 140 N -2.44 4.41 0.12 4.08 0.11 -0.87 -5.07 120.40 120.75 1a6x s VAL 140 Ca -0.30 0.94 0.07 0.00 -2.93 0.00 0.00 61.98 59.76 1a6x s VAL 140 Cb 0.08 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1a6x s VAL 140 CO 0.50 -0.88 -0.06 -0.70 -3.33 0.00 0.00 175.10 170.63 1a6x s GLU 141 N -4.68 2.25 -1.03 1.54 2.12 -1.26 -5.01 118.70 112.63 1a6x s GLU 141 Ca 0.58 -1.02 -0.25 0.00 0.36 0.00 0.00 54.97 54.64 1a6x s GLU 141 Cb -0.12 -2.35 -0.15 0.00 0.26 0.00 0.00 34.13 31.77 1a6x s GLU 141 CO 0.45 0.50 2.09 -1.54 -0.54 0.00 0.00 175.26 176.23 1a6x s SER 142 N -2.41 4.20 0.00 -1.70 1.04 -1.26 -0.09 113.70 113.48 1a6x s SER 142 Ca 0.24 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1a6x s SER 142 Cb -0.11 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1a6x s SER 142 CO 0.16 -3.85 0.00 0.61 0.98 0.00 0.00 173.24 171.14 1a6x n GLY 143 N 6.27 0.98 3.78 7.32 0.00 0.86 -4.76 105.19 119.65 1a6x n GLY 143 Ca 0.43 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.09 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 3.90 0.77 1.61 0.74 0.87 -4.73 119.66 122.83 1a6x s GLN 144 Ca 0.00 1.57 -0.11 0.00 0.05 0.00 0.00 55.36 56.86 1a6x s GLN 144 Cb 0.00 -2.36 0.06 0.00 1.10 0.00 0.00 33.01 31.80 1a6x s GLN 144 CO 0.00 -0.38 1.09 -1.25 -0.55 0.00 0.00 175.29 174.20 1a6x s PRO 145 N -2.77 2.28 0.17 1.67 0.04 -1.26 -0.86 135.00 134.26 1a6x s PRO 145 Ca 0.63 0.71 -0.14 0.00 0.04 0.00 0.00 61.00 62.23 1a6x s PRO 145 Cb -0.23 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.39 1a6x s PRO 145 CO 0.28 -1.50 0.41 0.14 0.04 0.00 0.00 177.00 176.37 1a6x s VAL 146 N -3.13 0.05 0.28 -0.36 -7.23 0.47 -4.73 120.40 105.75 1a6x s VAL 146 Ca 0.60 -0.94 -0.05 0.00 -1.81 0.00 0.00 61.98 59.78 1a6x s VAL 146 Cb -0.14 -1.57 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 1a6x s VAL 146 CO 0.54 -0.24 0.38 -1.83 -0.31 0.00 0.00 175.10 173.65 1a6x s GLU 147 N -3.89 1.62 0.28 4.82 -1.05 -1.26 -1.28 118.70 117.94 1a6x s GLU 147 Ca 0.10 -1.59 -0.30 0.00 -0.15 0.00 0.00 54.97 53.04 1a6x s GLU 147 Cb 0.01 0.40 -0.11 0.00 -0.44 0.00 0.00 34.13 33.99 1a6x s GLU 147 CO -0.04 -0.64 1.55 0.12 0.95 0.00 0.00 175.26 177.20 1a6x s PHE 148 N -3.65 2.82 0.00 4.83 5.36 -1.26 -1.00 117.98 125.09 1a6x s PHE 148 Ca 0.31 0.85 0.00 0.00 -0.96 0.00 0.00 56.93 57.13 1a6x s PHE 148 Cb 0.01 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 38.70 1a6x s PHE 148 CO 0.15 -3.33 0.00 -0.40 -1.46 0.00 0.00 175.22 170.18 1a6x n ASP 149 N 2.20 0.00 -4.75 6.13 5.75 -1.26 -5.01 116.55 119.62 1a6x n ASP 149 Ca 0.08 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.46 1a6x n ASP 149 Cb 0.38 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.42 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1a6x s GLU 150 N -0.25 4.56 0.53 0.11 2.56 -0.17 -4.91 118.70 121.14 1a6x s GLU 150 Ca 0.00 1.17 -0.18 0.00 0.00 0.00 0.00 54.97 55.96 1a6x s GLU 150 Cb 0.00 -3.33 -0.07 0.00 2.00 0.00 0.00 34.13 32.73 1a6x s GLU 150 CO 0.00 0.37 1.04 -1.25 -0.56 0.00 0.00 175.26 174.86 1a6x s PRO 151 N -0.44 3.63 0.00 4.30 0.04 -1.26 0.24 135.00 141.51 1a6x s PRO 151 Ca 0.39 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1a6x s PRO 151 Cb -0.22 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1a6x s PRO 151 CO 0.25 -0.57 0.00 1.28 0.04 0.00 0.00 177.00 178.01 1a6x n LEU 152 N -1.42 0.00 -4.28 -3.56 4.77 0.43 -4.62 117.00 108.32 1a6x n LEU 152 Ca 0.09 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.79 1a6x n LEU 152 Cb 0.53 -0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.47 1a6x n LEU 152 CO 0.43 -0.03 -0.54 -0.69 -1.33 0.00 0.00 177.39 175.23 1a6x s VAL 153 N -0.06 1.84 -0.33 4.08 1.01 -1.21 -2.05 120.40 123.67 1a6x s VAL 153 Ca 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 1a6x s VAL 153 Cb 0.00 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1a6x s VAL 153 CO 0.00 0.38 0.22 -0.69 0.00 0.00 0.00 175.10 175.01 1a6x s VAL 154 N -0.68 5.16 0.32 2.92 1.01 0.32 -0.77 120.40 128.68 1a6x s VAL 154 Ca 0.09 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 61.90 1a6x s VAL 154 Cb -0.09 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1a6x s VAL 154 CO 0.01 0.01 0.20 -0.63 0.00 0.00 0.00 175.10 174.69 1a6x s ILE 155 N 1.70 3.49 -2.81 2.22 1.09 -0.21 -0.40 121.20 126.29 1a6x s ILE 155 Ca 0.06 -1.53 0.26 0.00 -1.10 0.00 0.00 60.65 58.34 1a6x s ILE 155 Cb -0.17 -3.12 0.33 0.00 -1.06 0.00 0.00 42.46 38.43 1a6x s ILE 155 CO 0.10 -0.22 1.44 1.21 -0.10 0.00 0.00 174.94 177.37