#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 0.96 -0.37 3.17 0.28 -1.26 -4.97 120.64 118.44 1a6x n GLU 71 Ca 0.00 -1.69 -0.02 0.00 -0.16 0.00 0.00 57.16 55.29 1a6x n GLU 71 Cb 0.00 0.77 0.02 0.00 1.43 0.00 0.00 31.44 33.67 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1a6x h ALA 72 N 1.26 0.08 0.02 -1.84 0.00 -2.09 -2.98 119.26 113.71 1a6x h ALA 72 Ca -0.17 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1a6x h ALA 72 Cb 0.59 1.03 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1a6x h ALA 72 CO 0.27 -0.66 -0.01 -1.00 0.00 0.00 0.00 179.25 177.85 1a6x h PRO 73 N -0.02 -0.02 0.00 0.00 0.13 -2.03 -3.46 132.00 126.60 1a6x h PRO 73 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 1a6x h PRO 73 Cb 0.58 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1a6x h PRO 73 CO -0.96 -0.02 0.00 0.00 -0.23 0.00 0.00 178.00 176.80 1a6x n ALA 74 N -2.05 0.00 -3.12 -0.56 0.00 -1.13 -4.63 120.51 109.02 1a6x n ALA 74 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1a6x n ALA 74 Cb 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 1a6x n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x s ALA 75 N 0.00 -0.03 0.00 0.00 0.00 -1.26 -4.81 121.76 115.66 1a6x s ALA 75 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1a6x s ALA 75 Cb 0.00 1.08 0.00 0.00 0.00 0.00 0.00 23.12 24.20 1a6x s ALA 75 CO 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 175.76 174.92 1a6x n ALA 76 N -0.42 0.00 -1.61 0.00 0.00 -1.26 -4.83 120.51 112.38 1a6x n ALA 76 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1a6x n ALA 76 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 -4.56 0.00 0.00 -0.58 -1.26 -5.04 120.64 109.20 1a6x n GLU 77 Ca 0.00 3.33 0.00 0.00 -0.42 0.00 0.00 57.16 60.07 1a6x n GLU 77 Cb 0.00 -3.70 0.00 0.00 -0.57 0.00 0.00 31.44 27.17 1a6x n GLU 77 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1a6x n ILE 78 N -0.11 0.00 -2.00 -3.67 -6.64 -1.26 -5.14 119.36 100.53 1a6x n ILE 78 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 1a6x n ILE 78 Cb 0.00 -0.57 0.00 0.00 -1.44 0.00 0.00 39.64 37.63 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 1a6x n SER 79 N -2.41 -8.40 -3.77 7.28 7.64 -1.26 -4.88 113.62 107.82 1a6x n SER 79 Ca 0.00 1.37 -0.34 0.00 1.01 0.00 0.00 58.87 60.90 1a6x n SER 79 Cb 0.09 -4.68 0.03 0.00 -1.01 0.00 0.00 64.21 58.65 1a6x n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6x n GLY 80 N 1.69 -4.22 3.63 0.23 0.00 -1.26 -4.92 105.19 100.34 1a6x n GLY 80 Ca 0.00 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 1a6x n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a6x s HIS 81 N -1.87 2.06 -0.11 1.61 3.76 0.14 -4.87 115.29 116.00 1a6x s HIS 81 Ca 0.39 -0.92 -0.04 0.00 -0.15 0.00 0.00 55.06 54.34 1a6x s HIS 81 Cb -0.20 -1.54 0.06 0.00 1.11 0.00 0.00 32.58 32.00 1a6x s HIS 81 CO 0.76 0.18 0.15 0.42 -0.85 0.00 0.00 174.74 175.39 1a6x s ILE 82 N -2.94 -0.23 -0.16 0.60 1.09 -1.26 0.22 121.20 118.52 1a6x s ILE 82 Ca 0.22 0.20 -0.29 0.00 -1.10 0.00 0.00 60.65 59.67 1a6x s ILE 82 Cb 0.05 -0.39 -0.03 0.00 -1.06 0.00 0.00 42.46 41.03 1a6x s ILE 82 CO 0.11 0.02 1.48 -0.69 -0.10 0.00 0.00 174.94 175.76 1a6x s VAL 83 N 2.26 3.90 -0.37 2.92 1.01 0.11 -4.91 120.40 125.32 1a6x s VAL 83 Ca 0.04 1.06 -0.07 0.00 0.00 0.00 0.00 61.98 63.01 1a6x s VAL 83 Cb -0.13 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.53 1a6x s VAL 83 CO -0.07 -0.19 0.15 -0.13 0.00 0.00 0.00 175.10 174.86 1a6x s ARG 84 N 4.05 2.54 -0.69 2.72 0.52 -1.26 0.11 118.95 126.95 1a6x s ARG 84 Ca 0.65 -1.32 -0.39 0.00 -0.52 0.00 0.00 55.73 54.15 1a6x s ARG 84 Cb -0.25 -3.55 -0.20 0.00 0.52 0.00 0.00 34.95 31.47 1a6x s ARG 84 CO 0.24 -0.78 2.35 -1.13 0.02 0.00 0.00 175.30 176.00 1a6x n SER 85 N 4.81 0.57 0.00 0.23 3.41 0.14 -4.70 113.62 118.08 1a6x n SER 85 Ca -0.11 0.49 0.11 0.00 -0.26 0.00 0.00 58.87 59.10 1a6x n SER 85 Cb 0.44 -0.91 0.66 0.00 -0.26 0.00 0.00 64.21 64.14 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 7.88 0.75 -3.66 4.33 -0.04 -1.26 -2.93 135.00 140.07 1a6x n PRO 86 Ca 0.59 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 64.00 1a6x n PRO 86 Cb -0.01 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 31.91 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 0.45 0.55 0.54 0.23 -1.26 -4.95 119.30 112.86 1a6x s MET 87 Ca 0.33 1.21 -0.20 0.00 -1.03 0.00 0.00 55.69 56.00 1a6x s MET 87 Cb 0.15 0.53 -0.06 0.00 -1.53 0.00 0.00 34.83 33.92 1a6x s MET 87 CO 0.26 -0.22 0.99 0.28 -2.03 0.00 0.00 175.02 174.30 1a6x n VAL 88 N 5.30 3.32 0.00 5.16 0.31 -1.26 -4.76 118.33 126.40 1a6x n VAL 88 Ca -0.11 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 1a6x n VAL 88 Cb 0.50 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 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 1.23 -0.29 3.45 2.92 0.00 -0.55 -4.74 105.19 107.20 1a6x n GLY 89 Ca 0.12 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 1.36 -0.01 2.61 2.01 -0.33 -0.24 115.64 121.04 1a6x s THR 90 Ca 0.00 -2.03 0.01 0.00 0.31 0.00 0.00 61.69 59.98 1a6x s THR 90 Cb 0.00 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.82 1a6x s THR 90 CO 0.00 -0.10 -0.04 0.12 -0.69 0.00 0.00 174.62 173.91 1a6x s PHE 91 N -3.19 0.36 0.12 4.92 2.19 0.29 -0.16 117.98 122.52 1a6x s PHE 91 Ca 0.34 -0.07 0.03 0.00 0.33 0.00 0.00 56.93 57.57 1a6x s PHE 91 Cb 0.07 -0.26 -0.04 0.00 -1.31 0.00 0.00 43.02 41.49 1a6x s PHE 91 CO 0.14 -0.02 -0.09 0.71 1.83 0.00 0.00 175.22 177.79 1a6x s TYR 92 N 0.02 1.10 -0.07 10.12 2.02 0.09 0.18 117.35 130.82 1a6x s TYR 92 Ca 0.00 -0.79 0.06 0.00 -0.37 0.00 0.00 57.07 55.97 1a6x s TYR 92 Cb -0.03 -0.59 -0.08 0.00 -0.40 0.00 0.00 41.96 40.86 1a6x s TYR 92 CO -0.00 -0.01 0.16 0.54 -1.57 0.00 0.00 175.55 174.67 1a6x n ARG 93 N 0.01 1.39 -4.12 -0.62 1.74 -1.26 -0.63 116.66 113.17 1a6x n ARG 93 Ca -0.12 -0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 56.81 1a6x n ARG 93 Cb 0.60 -1.05 -0.11 0.00 -1.02 0.00 0.00 32.46 30.88 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 -2.20 0.59 -0.85 0.55 -4.23 -1.26 -1.40 115.64 106.84 1a6x s THR 94 Ca -0.01 -1.56 0.23 0.00 -1.18 0.00 0.00 61.69 59.17 1a6x s THR 94 Cb 0.04 -1.21 0.21 0.00 1.34 0.00 0.00 72.50 72.88 1a6x s THR 94 CO 0.24 -0.67 1.72 -0.81 -0.54 0.00 0.00 174.62 174.56 1a6x n PRO 95 N 0.61 0.08 -3.85 3.99 -0.04 -1.26 -4.89 135.00 129.65 1a6x n PRO 95 Ca -0.17 0.20 -0.06 0.00 -0.04 0.00 0.00 63.50 63.43 1a6x n PRO 95 Cb 0.58 -1.63 0.02 0.00 -0.04 0.00 0.00 33.50 32.44 1a6x n PRO 95 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1a6x s SER 96 N -3.51 0.00 -0.03 3.54 0.01 -1.26 -5.01 113.70 107.44 1a6x s SER 96 Ca 0.09 -0.90 -0.23 0.00 1.31 0.00 0.00 55.95 56.22 1a6x s SER 96 Cb 0.13 0.67 -0.22 0.00 0.21 0.00 0.00 66.02 66.81 1a6x s SER 96 CO 0.43 -1.33 1.08 1.55 0.41 0.00 0.00 173.24 175.38 1a6x h PRO 97 N 2.00 0.25 -0.99 12.44 0.13 -1.97 -3.25 132.00 140.60 1a6x h PRO 97 Ca -0.30 -0.24 -0.61 0.00 -0.87 0.00 0.00 66.00 63.98 1a6x h PRO 97 Cb 1.23 0.06 -0.30 0.00 0.13 0.00 0.00 31.00 32.13 1a6x h PRO 97 CO 0.38 0.94 0.77 -3.47 -0.23 0.00 0.00 178.00 176.39 1a6x n ASP 98 N -4.45 5.94 -4.62 1.44 -0.08 -1.26 -4.93 116.55 108.59 1a6x n ASP 98 Ca -0.09 -3.71 -0.24 0.00 -1.51 0.00 0.00 54.79 49.24 1a6x n ASP 98 Cb 0.52 -0.91 -0.08 0.00 2.34 0.00 0.00 41.12 42.99 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 -3.59 3.12 1.04 -1.67 0.00 -1.23 -5.12 121.76 114.31 1a6x s ALA 99 Ca 0.61 -1.79 -0.12 0.00 0.00 0.00 0.00 51.96 50.66 1a6x s ALA 99 Cb 0.50 -0.57 0.21 0.00 0.00 0.00 0.00 23.12 23.26 1a6x s ALA 99 CO 0.04 0.20 1.07 0.15 0.00 0.00 0.00 175.76 177.22 1a6x s LYS 100 N -3.67 0.10 -0.16 0.00 3.01 -1.26 -4.80 119.74 112.95 1a6x s LYS 100 Ca 0.33 0.86 -0.09 0.00 -1.01 0.00 0.00 55.97 56.06 1a6x s LYS 100 Cb -0.04 -1.67 -0.05 0.00 -1.01 0.00 0.00 37.83 35.06 1a6x s LYS 100 CO 0.19 -3.05 0.14 0.00 0.51 0.00 0.00 175.35 173.14 1a6x s ALA 101 N -2.70 3.77 0.28 5.17 0.00 -1.26 -4.21 121.76 122.81 1a6x s ALA 101 Ca 0.66 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1a6x s ALA 101 Cb -0.22 -2.09 0.52 0.00 0.00 0.00 0.00 23.12 21.33 1a6x s ALA 101 CO 0.61 0.36 1.84 0.74 0.00 0.00 0.00 175.76 179.30 1a6x h PHE 102 N 5.93 1.11 -3.30 0.00 0.04 -1.57 -3.37 116.94 115.77 1a6x h PHE 102 Ca -0.47 0.03 -0.52 0.00 2.80 0.00 0.00 57.97 59.81 1a6x h PHE 102 Cb 1.19 -0.35 -0.39 0.00 2.20 0.00 0.00 35.95 38.60 1a6x h PHE 102 CO 0.66 0.45 -0.77 -1.50 -0.60 0.00 0.00 178.31 176.55 1a6x s ILE 103 N -5.98 0.72 -0.43 -0.55 2.07 -1.26 -4.82 121.20 110.95 1a6x s ILE 103 Ca -0.12 -0.47 -0.25 0.00 -1.41 0.00 0.00 60.65 58.40 1a6x s ILE 103 Cb 0.22 -1.04 0.02 0.00 0.13 0.00 0.00 42.46 41.79 1a6x s ILE 103 CO 0.81 -0.01 0.87 -0.70 -1.91 0.00 0.00 174.94 174.00 1a6x s GLU 104 N 1.79 3.57 -0.50 3.50 2.56 -1.26 -4.95 118.70 123.42 1a6x s GLU 104 Ca 0.01 0.17 -0.46 0.00 0.00 0.00 0.00 54.97 54.69 1a6x s GLU 104 Cb -0.16 -3.90 -0.20 0.00 2.00 0.00 0.00 34.13 31.88 1a6x s GLU 104 CO -0.07 -1.10 1.78 0.28 -0.56 0.00 0.00 175.26 175.59 1a6x n VAL 105 N 6.20 0.01 0.00 3.70 0.31 -1.26 -0.92 118.33 126.36 1a6x n VAL 105 Ca 0.05 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1a6x n VAL 105 Cb 0.48 -0.52 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 5.17 1.33 3.56 2.92 0.00 -1.26 -5.11 105.19 111.80 1a6x n GLY 106 Ca 0.39 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.04 1.86 0.08 1.61 -0.44 -0.10 -5.02 119.66 117.62 1a6x s GLN 107 Ca 0.00 -1.93 0.02 0.00 -2.50 0.00 0.00 55.36 50.95 1a6x s GLN 107 Cb 0.00 -1.72 -0.04 0.00 -1.64 0.00 0.00 33.01 29.61 1a6x s GLN 107 CO 0.00 0.12 0.11 -1.59 0.50 0.00 0.00 175.29 174.44 1a6x s LYS 108 N -3.63 3.01 -0.02 1.67 -2.85 -1.26 -3.30 119.74 113.36 1a6x s LYS 108 Ca 0.33 -0.64 0.03 0.00 -1.00 0.00 0.00 55.97 54.69 1a6x s LYS 108 Cb 0.03 -2.79 -0.00 0.00 -2.06 0.00 0.00 37.83 33.00 1a6x s LYS 108 CO 0.17 0.57 -0.11 0.14 0.10 0.00 0.00 175.35 176.21 1a6x s VAL 109 N -1.44 0.95 0.03 1.79 -7.23 -0.30 -5.01 120.40 109.19 1a6x s VAL 109 Ca 0.31 -0.48 0.07 0.00 -1.81 0.00 0.00 61.98 60.07 1a6x s VAL 109 Cb -0.12 -0.81 -0.03 0.00 0.56 0.00 0.00 36.38 35.97 1a6x s VAL 109 CO 0.23 0.28 -0.20 0.54 -0.31 0.00 0.00 175.10 175.64 1a6x s ASN 110 N -0.04 3.65 -0.57 4.85 4.22 -1.26 -0.73 114.94 125.05 1a6x s ASN 110 Ca 0.00 -0.44 -0.42 0.00 -2.14 0.00 0.00 52.86 49.86 1a6x s ASN 110 Cb -0.07 -0.55 -0.19 0.00 1.28 0.00 0.00 41.25 41.72 1a6x s ASN 110 CO 0.00 0.27 2.22 0.52 -2.04 0.00 0.00 177.10 178.07 1a6x n VAL 111 N 1.72 0.00 0.00 3.54 0.31 -1.26 0.54 118.33 123.18 1a6x n VAL 111 Ca -0.16 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1a6x n VAL 111 Cb 0.52 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 7.35 1.37 3.78 2.92 0.00 -1.23 -5.00 105.19 114.38 1a6x n GLY 112 Ca 0.56 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.61 6.75 0.44 1.61 1.11 0.19 -4.84 116.67 120.32 1a6x s ASP 113 Ca 0.00 0.89 -0.25 0.00 0.18 0.00 0.00 52.55 53.36 1a6x s ASP 113 Cb 0.00 -2.26 -0.08 0.00 1.07 0.00 0.00 42.92 41.65 1a6x s ASP 113 CO 0.00 0.19 1.39 -0.89 1.18 0.00 0.00 175.17 177.04 1a6x s THR 114 N -0.35 2.22 -0.07 -1.27 2.01 -1.26 -0.21 115.64 116.71 1a6x s THR 114 Ca 0.24 0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.49 1a6x s THR 114 Cb -0.16 -3.11 -0.09 0.00 0.01 0.00 0.00 72.50 69.15 1a6x s THR 114 CO 0.12 0.03 0.01 0.18 -0.69 0.00 0.00 174.62 174.26 1a6x n LEU 115 N -0.17 0.43 0.00 4.42 4.77 0.12 -4.62 117.00 121.95 1a6x n LEU 115 Ca 0.05 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1a6x n LEU 115 Cb 0.42 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1a6x n LEU 115 CO 0.58 0.25 0.00 0.00 -1.33 0.00 0.00 177.39 176.88 1a6x s ILE 117 N -2.73 1.49 -0.18 0.00 -1.09 0.20 0.05 121.20 118.95 1a6x s ILE 117 Ca 0.00 -2.06 -0.09 0.00 -2.23 0.00 0.00 60.65 56.27 1a6x s ILE 117 Cb 0.00 -2.65 0.06 0.00 -1.58 0.00 0.00 42.46 38.30 1a6x s ILE 117 CO 0.00 -0.15 0.42 -0.69 -1.23 0.00 0.00 174.94 173.29 1a6x s VAL 118 N -3.10 -0.11 -0.06 2.92 1.01 0.14 -0.73 120.40 120.46 1a6x s VAL 118 Ca 0.33 0.10 -0.27 0.00 0.00 0.00 0.00 61.98 62.14 1a6x s VAL 118 Cb 0.07 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 1a6x s VAL 118 CO 0.14 0.04 0.86 -0.70 0.00 0.00 0.00 175.10 175.44 1a6x s GLU 119 N 1.58 4.46 0.07 2.72 2.12 0.77 -0.09 118.70 130.33 1a6x s GLU 119 Ca -0.08 1.15 -0.27 0.00 0.36 0.00 0.00 54.97 56.13 1a6x s GLU 119 Cb -0.09 -3.48 0.09 0.00 0.26 0.00 0.00 34.13 30.90 1a6x s GLU 119 CO -0.13 -0.08 0.99 0.00 -0.54 0.00 0.00 175.26 175.50 1a6x s ALA 120 N 1.23 -1.79 -1.64 6.30 0.00 -0.54 -1.19 121.76 124.13 1a6x s ALA 120 Ca 0.44 0.52 -0.10 0.00 0.00 0.00 0.00 51.96 52.82 1a6x s ALA 120 Cb -0.19 0.51 0.09 0.00 0.00 0.00 0.00 23.12 23.53 1a6x s ALA 120 CO 0.21 -0.92 0.37 0.00 0.00 0.00 0.00 175.76 175.42 1a6x n MET 121 N -0.39 -1.67 -4.19 0.00 0.00 -1.26 0.29 117.12 109.90 1a6x n MET 121 Ca -0.07 0.21 -0.32 0.00 0.00 0.00 0.00 57.70 57.52 1a6x n MET 121 Cb 0.61 -4.31 -0.06 0.00 0.00 0.00 0.00 33.22 29.46 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 -4.38 -1.35 -3.62 3.17 4.81 -1.26 -4.89 118.16 110.64 1a6x n LYS 122 Ca -0.14 0.16 -0.03 0.00 -0.87 0.00 0.00 58.31 57.43 1a6x n LYS 122 Cb 0.60 -3.65 -0.03 0.00 0.02 0.00 0.00 35.03 31.97 1a6x n LYS 122 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1a6x s MET 123 N -7.18 0.17 0.29 1.64 1.75 0.15 -5.15 119.30 110.97 1a6x s MET 123 Ca 0.08 -0.02 -0.29 0.00 -1.25 0.00 0.00 55.69 54.21 1a6x s MET 123 Cb -0.04 0.08 -0.10 0.00 2.84 0.00 0.00 34.83 37.61 1a6x s MET 123 CO 0.97 -0.07 1.16 -1.64 -0.65 0.00 0.00 175.02 174.80 1a6x s MET 124 N -1.74 4.55 -0.29 4.11 -1.94 -1.26 -1.47 119.30 121.27 1a6x s MET 124 Ca 0.09 1.93 -0.01 0.00 -1.71 0.00 0.00 55.69 55.99 1a6x s MET 124 Cb -0.01 -3.16 0.09 0.00 2.01 0.00 0.00 34.83 33.77 1a6x s MET 124 CO -0.05 0.09 0.08 -0.80 -0.01 0.00 0.00 175.02 174.33 1a6x s ASN 125 N -0.73 3.84 0.60 3.03 0.01 0.87 -4.91 114.94 117.65 1a6x s ASN 125 Ca 0.46 -1.48 -0.17 0.00 -0.71 0.00 0.00 52.86 50.96 1a6x s ASN 125 Cb -0.34 -0.83 -0.03 0.00 0.41 0.00 0.00 41.25 40.45 1a6x s ASN 125 CO 0.44 -0.39 1.10 -1.58 -1.51 0.00 0.00 177.10 175.17 1a6x s GLN 126 N 1.65 3.13 -0.20 -0.60 0.74 -1.26 0.23 119.66 123.34 1a6x s GLN 126 Ca 0.07 1.44 0.01 0.00 0.05 0.00 0.00 55.36 56.93 1a6x s GLN 126 Cb -0.17 -1.99 0.04 0.00 1.10 0.00 0.00 33.01 31.98 1a6x s GLN 126 CO -0.22 -1.00 -0.14 0.42 -0.55 0.00 0.00 175.29 173.80 1a6x s ILE 127 N -2.14 1.90 -0.16 -2.34 1.01 0.11 -4.86 121.20 114.72 1a6x s ILE 127 Ca 0.68 -1.09 -0.13 0.00 0.00 0.00 0.00 60.65 60.12 1a6x s ILE 127 Cb -0.21 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 1a6x s ILE 127 CO 0.34 0.28 0.25 -0.70 0.00 0.00 0.00 174.94 175.12 1a6x s GLU 128 N 1.30 4.18 0.06 2.79 2.12 -1.26 0.11 118.70 128.00 1a6x s GLU 128 Ca -0.00 0.02 -0.36 0.00 0.36 0.00 0.00 54.97 54.98 1a6x s GLU 128 Cb -0.16 -3.40 -0.19 0.00 0.26 0.00 0.00 34.13 30.64 1a6x s GLU 128 CO -0.09 0.31 0.91 0.00 -0.54 0.00 0.00 175.26 175.85 1a6x n ALA 129 N 3.39 -3.34 -0.48 6.30 0.00 0.71 -4.82 120.51 122.26 1a6x n ALA 129 Ca -0.13 0.55 0.09 0.00 0.00 0.00 0.00 53.44 53.94 1a6x n ALA 129 Cb 0.52 -1.73 0.28 0.00 0.00 0.00 0.00 19.45 18.53 1a6x n ALA 129 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a6x n ASP 130 N 1.67 3.97 0.00 0.00 9.92 -1.26 -3.51 116.55 127.34 1a6x n ASP 130 Ca 0.19 -2.29 0.00 0.00 -0.53 0.00 0.00 54.79 52.17 1a6x n ASP 130 Cb 0.13 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 1a6x n ASP 130 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1a6x n LYS 131 N 0.88 0.00 -1.29 -1.24 4.81 -1.26 -5.02 118.16 115.04 1a6x n LYS 131 Ca 0.21 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.22 1a6x n LYS 131 Cb 0.70 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.73 1a6x n LYS 131 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1a6x n SER 132 N 0.00 -1.93 0.00 3.14 3.41 -1.26 -4.84 113.62 112.14 1a6x n SER 132 Ca 0.00 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 1a6x n SER 132 Cb 0.00 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 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 2.07 -1.25 3.56 5.00 0.00 0.09 -4.95 105.19 109.71 1a6x n GLY 133 Ca 0.14 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.14 3.38 1.00 2.61 2.01 -1.26 -1.15 115.64 120.09 1a6x s THR 134 Ca 0.00 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 60.86 1a6x s THR 134 Cb 0.00 -2.48 -0.14 0.00 0.01 0.00 0.00 72.50 69.89 1a6x s THR 134 CO 0.00 0.32 -0.74 0.55 -0.69 0.00 0.00 174.62 174.06 1a6x n VAL 135 N 1.38 0.00 0.00 3.82 3.14 -1.21 0.19 118.33 125.65 1a6x n VAL 135 Ca -0.15 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 1a6x n VAL 135 Cb 0.52 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 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 2.11 0.00 0.00 1.45 0.00 0.35 -3.85 118.16 118.22 1a6x n LYS 136 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.30 1a6x n LYS 136 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 35.03 35.56 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 -2.41 0.00 -2.49 3.14 0.00 0.02 -4.98 120.51 113.79 1a6x n ALA 137 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1a6x n ALA 137 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.88 5.25 -0.07 0.00 -1.09 -1.26 0.46 121.20 123.60 1a6x s ILE 138 Ca 0.00 -0.51 -0.24 0.00 -2.23 0.00 0.00 60.65 57.67 1a6x s ILE 138 Cb 0.00 -3.85 -0.29 0.00 -1.58 0.00 0.00 42.46 36.74 1a6x s ILE 138 CO 0.00 -0.20 0.87 -0.07 -1.23 0.00 0.00 174.94 174.31 1a6x h LEU 139 N 8.58 0.33-10.08 2.97 3.38 -1.53 -3.46 115.31 115.50 1a6x h LEU 139 Ca -0.28 -0.95 -0.50 0.00 0.09 0.00 0.00 57.88 56.23 1a6x h LEU 139 Cb 1.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1a6x h LEU 139 CO 0.69 1.26 0.07 0.54 0.09 0.00 0.00 178.44 181.10 1a6x s VAL 140 N -2.42 4.77 0.46 1.22 0.11 -0.37 -5.05 120.40 119.10 1a6x s VAL 140 Ca -0.15 0.71 0.08 0.00 -2.93 0.00 0.00 61.98 59.69 1a6x s VAL 140 Cb -0.00 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 1a6x s VAL 140 CO 0.79 -0.33 0.45 -0.70 -3.33 0.00 0.00 175.10 171.98 1a6x s GLU 141 N -3.37 2.50 -0.49 1.54 2.56 -1.26 -4.93 118.70 115.25 1a6x s GLU 141 Ca 0.52 -1.59 -0.28 0.00 0.00 0.00 0.00 54.97 53.62 1a6x s GLU 141 Cb -0.10 -2.41 -0.01 0.00 2.00 0.00 0.00 34.13 33.61 1a6x s GLU 141 CO 0.24 -0.35 1.72 -1.54 -0.56 0.00 0.00 175.26 174.77 1a6x s SER 142 N -4.24 5.74 0.00 -1.70 1.04 -1.26 -1.74 113.70 111.53 1a6x s SER 142 Ca 0.48 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1a6x s SER 142 Cb -0.04 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1a6x s SER 142 CO 0.29 -1.94 0.00 0.61 0.98 0.00 0.00 173.24 173.18 1a6x n GLY 143 N 5.46 2.98 3.72 7.32 0.00 0.49 -4.94 105.19 120.23 1a6x n GLY 143 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.20 2.33 -2.49 1.61 7.27 -0.71 -4.42 117.38 119.77 1a6x n GLN 144 Ca 0.00 0.82 -0.34 0.00 0.07 0.00 0.00 57.00 57.55 1a6x n GLN 144 Cb 0.00 -2.46 -0.03 0.00 2.41 0.00 0.00 30.24 30.16 1a6x n GLN 144 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1a6x s PRO 145 N -1.83 3.75 0.17 3.69 0.04 -1.26 -0.55 135.00 139.01 1a6x s PRO 145 Ca 0.56 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.97 1a6x s PRO 145 Cb -0.54 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 1a6x s PRO 145 CO 0.62 -0.47 -0.07 0.14 0.04 0.00 0.00 177.00 177.25 1a6x s VAL 146 N -2.05 1.14 0.37 -0.36 -7.23 0.66 -4.83 120.40 108.10 1a6x s VAL 146 Ca 0.67 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 58.81 1a6x s VAL 146 Cb -0.16 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 1a6x s VAL 146 CO 0.22 -0.62 0.11 -1.61 -0.31 0.00 0.00 175.10 172.89 1a6x s GLU 147 N -3.78 1.80 0.37 4.82 2.02 -1.26 -1.49 118.70 121.18 1a6x s GLU 147 Ca 0.20 -2.06 -0.28 0.00 0.02 0.00 0.00 54.97 52.85 1a6x s GLU 147 Cb 0.03 -0.62 -0.11 0.00 0.10 0.00 0.00 34.13 33.53 1a6x s GLU 147 CO 0.03 -0.39 1.50 0.12 0.02 0.00 0.00 175.26 176.54 1a6x s PHE 148 N -3.30 2.60 -1.20 1.61 5.36 -1.26 -0.95 117.98 120.84 1a6x s PHE 148 Ca 0.29 1.13 0.00 0.00 -0.96 0.00 0.00 56.93 57.39 1a6x s PHE 148 Cb 0.05 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.70 1a6x s PHE 148 CO 0.15 -3.05 0.00 -0.40 -1.46 0.00 0.00 175.22 170.46 1a6x n ASP 149 N 0.62 -5.20 -4.75 6.13 5.68 -1.15 -4.92 116.55 112.96 1a6x n ASP 149 Ca 0.02 0.28 -0.40 0.00 -0.50 0.00 0.00 54.79 54.19 1a6x n ASP 149 Cb 0.39 -3.97 -0.05 0.00 -1.14 0.00 0.00 41.12 36.35 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1a6x s GLU 150 N -2.89 4.47 0.23 0.11 2.56 -0.13 -4.86 118.70 118.20 1a6x s GLU 150 Ca 0.00 1.02 -0.30 0.00 0.00 0.00 0.00 54.97 55.69 1a6x s GLU 150 Cb 0.00 -3.35 -0.09 0.00 2.00 0.00 0.00 34.13 32.70 1a6x s GLU 150 CO 0.00 0.33 1.10 -1.25 -0.56 0.00 0.00 175.26 174.88 1a6x s PRO 151 N -0.20 4.62 0.00 4.30 0.04 -1.26 0.26 135.00 142.77 1a6x s PRO 151 Ca 0.37 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1a6x s PRO 151 Cb -0.20 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1a6x s PRO 151 CO 0.22 0.15 0.00 1.28 0.04 0.00 0.00 177.00 178.70 1a6x n LEU 152 N 1.78 0.00 -4.47 -3.56 4.77 0.30 -4.53 117.00 111.30 1a6x n LEU 152 Ca 0.01 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.69 1a6x n LEU 152 Cb 0.45 -0.04 -0.12 0.00 -2.33 0.00 0.00 43.42 41.38 1a6x n LEU 152 CO 0.54 -0.13 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.28 1a6x s VAL 153 N -0.25 2.73 -0.19 4.08 1.01 -1.24 -1.24 120.40 125.30 1a6x s VAL 153 Ca 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 61.98 60.47 1a6x s VAL 153 Cb 0.00 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 1a6x s VAL 153 CO 0.00 0.14 -0.10 -0.69 0.00 0.00 0.00 175.10 174.45 1a6x s VAL 154 N -1.09 3.02 0.33 2.92 1.01 0.17 0.04 120.40 126.80 1a6x s VAL 154 Ca 0.17 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.60 1a6x s VAL 154 Cb -0.10 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1a6x s VAL 154 CO 0.09 0.47 0.23 -0.63 0.00 0.00 0.00 175.10 175.26 1a6x s ILE 155 N 1.16 3.50 -0.94 2.22 1.09 0.13 -0.49 121.20 127.87 1a6x s ILE 155 Ca 0.01 -1.47 0.08 0.00 -1.10 0.00 0.00 60.65 58.17 1a6x s ILE 155 Cb -0.14 -3.14 0.06 0.00 -1.06 0.00 0.00 42.46 38.17 1a6x s ILE 155 CO -0.03 -0.20 0.74 1.21 -0.10 0.00 0.00 174.94 176.56