#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 3.60 -0.20 0.03 1.02 -1.26 -4.88 120.64 118.96 1a6x n GLU 71 Ca 0.00 -4.41 -0.05 0.00 -0.02 0.00 0.00 57.16 52.68 1a6x n GLU 71 Cb 0.00 -2.59 0.01 0.00 -0.02 0.00 0.00 31.44 28.85 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a6x h ALA 72 N 6.59 0.02 -2.79 0.62 0.00 -1.97 -3.38 119.26 118.35 1a6x h ALA 72 Ca 0.19 0.17 -0.50 0.00 0.00 0.00 0.00 54.91 54.77 1a6x h ALA 72 Cb 0.85 0.73 0.01 0.00 0.00 0.00 0.00 17.79 19.38 1a6x h ALA 72 CO 1.06 -0.64 0.46 -1.25 0.00 0.00 0.00 179.25 178.88 1a6x s PRO 73 N -6.03 4.66 -0.81 0.00 0.04 -1.26 -3.88 135.00 127.72 1a6x s PRO 73 Ca -0.14 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.62 1a6x s PRO 73 Cb 0.16 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 1a6x s PRO 73 CO 0.70 0.24 0.71 0.00 0.04 0.00 0.00 177.00 178.69 1a6x n ALA 74 N 1.30 -2.13 -3.36 8.56 0.00 -1.26 -5.00 120.51 118.62 1a6x n ALA 74 Ca -0.01 0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.60 1a6x n ALA 74 Cb 0.45 -4.23 0.00 0.00 0.00 0.00 0.00 19.45 15.68 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 -2.70 -1.36 -1.00 0.00 0.00 -1.25 -5.01 120.51 109.20 1a6x n ALA 75 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1a6x n ALA 75 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.30 0.00 -1.06 0.00 0.00 -1.26 -4.87 120.51 111.02 1a6x n ALA 76 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.55 1a6x n ALA 76 Cb 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 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 -1.19 -2.14 0.00 0.00 4.71 -1.26 -4.90 120.64 115.87 1a6x n GLU 77 Ca 0.00 1.42 0.00 0.00 -0.01 0.00 0.00 57.16 58.57 1a6x n GLU 77 Cb 0.00 -2.60 0.00 0.00 -1.01 0.00 0.00 31.44 27.83 1a6x n GLU 77 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1a6x n ILE 78 N -3.40 0.00 0.00 -3.67 -0.00 -1.26 -4.78 119.36 106.26 1a6x n ILE 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1a6x n ILE 78 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.12 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1a6x n SER 79 N -0.84 0.00 -0.80 4.38 7.64 -1.26 -5.14 113.62 117.60 1a6x n SER 79 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1a6x n SER 79 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.00 -1.05 2.62 0.23 0.00 -1.25 -4.83 105.19 100.91 1a6x n GLY 80 Ca 0.00 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.93 0.13 0.07 1.61 3.76 0.14 -4.89 115.29 114.17 1a6x s HIS 81 Ca 0.00 -0.31 -0.25 0.00 -0.15 0.00 0.00 55.06 54.35 1a6x s HIS 81 Cb 0.00 -0.67 -0.06 0.00 1.11 0.00 0.00 32.58 32.96 1a6x s HIS 81 CO 0.00 -0.58 0.78 0.42 -0.85 0.00 0.00 174.74 174.52 1a6x s ILE 82 N 2.17 4.65 -0.27 0.60 1.01 -1.26 -1.05 121.20 127.04 1a6x s ILE 82 Ca 0.04 1.68 -0.08 0.00 0.00 0.00 0.00 60.65 62.29 1a6x s ILE 82 Cb -0.16 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 1a6x s ILE 82 CO -0.14 0.39 0.09 -0.69 0.00 0.00 0.00 174.94 174.58 1a6x s VAL 83 N -0.23 4.27 -0.20 2.92 1.01 -0.75 -5.00 120.40 122.43 1a6x s VAL 83 Ca 0.39 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 1a6x s VAL 83 Cb -0.21 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1a6x s VAL 83 CO 0.24 0.23 0.34 -0.13 0.00 0.00 0.00 175.10 175.78 1a6x s ARG 84 N 1.59 4.18 -0.71 2.72 0.52 -1.26 0.10 118.95 126.09 1a6x s ARG 84 Ca 0.05 0.10 -0.35 0.00 -0.52 0.00 0.00 55.73 55.02 1a6x s ARG 84 Cb -0.16 -3.51 -0.19 0.00 0.52 0.00 0.00 34.95 31.61 1a6x s ARG 84 CO 0.04 0.04 2.27 0.45 0.02 0.00 0.00 175.30 178.12 1a6x n SER 85 N 4.23 0.48 0.00 0.23 2.88 0.14 -4.70 113.62 116.88 1a6x n SER 85 Ca -0.10 0.39 0.11 0.00 -1.33 0.00 0.00 58.87 57.95 1a6x n SER 85 Cb 0.51 -0.85 0.68 0.00 -0.75 0.00 0.00 64.21 63.80 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 7.49 0.75 -3.65 -1.46 -0.04 -1.26 -3.88 135.00 132.94 1a6x n PRO 86 Ca 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.97 1a6x n PRO 86 Cb -0.00 -1.48 -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 -1.64 -0.04 0.00 0.00 175.50 173.82 1a6x s MET 87 N -2.00 0.60 0.32 0.54 -1.94 -1.26 -5.00 119.30 110.56 1a6x s MET 87 Ca 0.34 1.22 -0.29 0.00 -1.71 0.00 0.00 55.69 55.25 1a6x s MET 87 Cb 0.16 0.33 -0.10 0.00 2.01 0.00 0.00 34.83 37.22 1a6x s MET 87 CO 0.26 -0.17 1.41 0.08 -0.01 0.00 0.00 175.02 176.59 1a6x s VAL 88 N 2.01 2.49 0.00 -6.03 1.01 -1.26 -4.68 120.40 113.94 1a6x s VAL 88 Ca -0.08 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1a6x s VAL 88 Cb -0.08 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1a6x s VAL 88 CO -0.18 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1a6x n GLY 89 N 1.17 -0.50 3.40 4.51 0.00 -0.54 -4.75 105.19 108.48 1a6x n GLY 89 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.02 2.61 2.01 -0.32 0.17 115.64 121.32 1a6x s THR 90 Ca 0.00 -2.04 0.01 0.00 0.31 0.00 0.00 61.69 59.97 1a6x s THR 90 Cb 0.00 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 69.95 1a6x s THR 90 CO 0.00 -0.17 -0.02 0.12 -0.69 0.00 0.00 174.62 173.86 1a6x s PHE 91 N -3.28 0.34 0.16 4.92 2.19 -0.21 -0.42 117.98 121.68 1a6x s PHE 91 Ca 0.33 -0.04 0.08 0.00 0.33 0.00 0.00 56.93 57.62 1a6x s PHE 91 Cb 0.07 -0.33 -0.04 0.00 -1.31 0.00 0.00 43.02 41.41 1a6x s PHE 91 CO 0.13 -0.07 -0.17 0.71 1.83 0.00 0.00 175.22 177.64 1a6x s TYR 92 N 0.47 1.71 -0.50 10.12 2.02 0.60 -0.01 117.35 131.77 1a6x s TYR 92 Ca -0.05 -0.50 0.17 0.00 -0.37 0.00 0.00 57.07 56.32 1a6x s TYR 92 Cb -0.08 -0.85 -0.21 0.00 -0.40 0.00 0.00 41.96 40.42 1a6x s TYR 92 CO -0.01 0.29 0.58 0.54 -1.57 0.00 0.00 175.55 175.38 1a6x n ARG 93 N 0.25 1.18 -4.15 -0.62 5.12 -1.26 -1.45 116.66 115.73 1a6x n ARG 93 Ca -0.13 -0.06 -0.13 0.00 -1.93 0.00 0.00 57.85 55.61 1a6x n ARG 93 Cb 0.57 -1.32 -0.11 0.00 -1.16 0.00 0.00 32.46 30.45 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 -2.79 0.76 0.04 0.55 -4.23 -1.26 -1.33 115.64 107.39 1a6x s THR 94 Ca 0.02 -1.63 0.18 0.00 -1.18 0.00 0.00 61.69 59.07 1a6x s THR 94 Cb 0.12 -1.32 0.12 0.00 1.34 0.00 0.00 72.50 72.76 1a6x s THR 94 CO 0.69 -0.64 1.64 1.55 -0.54 0.00 0.00 174.62 177.31 1a6x h PRO 95 N 3.54 0.00 -4.35 3.99 0.13 -1.90 -3.47 132.00 129.94 1a6x h PRO 95 Ca -0.36 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.48 1a6x h PRO 95 Cb 1.18 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1a6x h PRO 95 CO 0.55 0.41 -0.35 -1.12 -0.23 0.00 0.00 178.00 177.26 1a6x s SER 96 N -6.41 0.79 0.11 1.44 0.01 -1.26 -5.05 113.70 103.33 1a6x s SER 96 Ca 0.02 -1.45 -0.10 0.00 1.31 0.00 0.00 55.95 55.73 1a6x s SER 96 Cb 0.10 0.57 -0.14 0.00 0.21 0.00 0.00 66.02 66.75 1a6x s SER 96 CO 0.70 -1.12 1.28 1.55 0.41 0.00 0.00 173.24 176.06 1a6x h PRO 97 N 2.25 0.62 -1.32 12.44 0.13 -1.99 -3.25 132.00 140.87 1a6x h PRO 97 Ca -0.29 -0.60 -0.66 0.00 -0.87 0.00 0.00 66.00 63.58 1a6x h PRO 97 Cb 1.24 0.16 -0.34 0.00 0.13 0.00 0.00 31.00 32.19 1a6x h PRO 97 CO 0.41 1.21 0.28 -3.47 -0.23 0.00 0.00 178.00 176.20 1a6x n ASP 98 N -3.84 6.53 -4.36 1.44 2.03 -1.26 -4.97 116.55 112.12 1a6x n ASP 98 Ca -0.08 -3.78 -0.19 0.00 0.52 0.00 0.00 54.79 51.26 1a6x n ASP 98 Cb 0.82 -0.77 -0.10 0.00 -0.72 0.00 0.00 41.12 40.34 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a6x s ALA 99 N -3.80 2.08 0.87 -1.67 0.00 -1.23 -5.14 121.76 112.87 1a6x s ALA 99 Ca 0.55 -1.68 -0.11 0.00 0.00 0.00 0.00 51.96 50.71 1a6x s ALA 99 Cb 0.45 -0.09 0.12 0.00 0.00 0.00 0.00 23.12 23.60 1a6x s ALA 99 CO -0.15 0.08 1.09 0.15 0.00 0.00 0.00 175.76 176.93 1a6x s LYS 100 N -3.64 1.44 0.09 0.00 3.01 -1.26 -4.83 119.74 114.55 1a6x s LYS 100 Ca 0.23 0.80 -0.30 0.00 -1.01 0.00 0.00 55.97 55.69 1a6x s LYS 100 Cb -0.01 -1.83 -0.05 0.00 -1.01 0.00 0.00 37.83 34.93 1a6x s LYS 100 CO 0.08 -2.11 1.03 0.00 0.51 0.00 0.00 175.35 174.86 1a6x s ALA 101 N -2.97 3.27 0.30 5.17 0.00 -1.26 -4.39 121.76 121.88 1a6x s ALA 101 Ca 0.63 0.66 0.06 0.00 0.00 0.00 0.00 51.96 53.30 1a6x s ALA 101 Cb -0.17 -3.34 0.75 0.00 0.00 0.00 0.00 23.12 20.36 1a6x s ALA 101 CO 0.56 -0.18 1.75 0.74 0.00 0.00 0.00 175.76 178.63 1a6x h PHE 102 N 5.99 0.94 -3.42 0.00 0.04 -1.54 -3.38 116.94 115.56 1a6x h PHE 102 Ca -0.42 0.04 -0.41 0.00 2.80 0.00 0.00 57.97 59.97 1a6x h PHE 102 Cb 1.21 -0.27 -0.35 0.00 2.20 0.00 0.00 35.95 38.75 1a6x h PHE 102 CO 0.65 0.13 -0.77 -1.50 -0.60 0.00 0.00 178.31 176.22 1a6x s ILE 103 N -5.85 0.47 -0.38 -0.55 2.07 -1.26 -4.84 121.20 110.85 1a6x s ILE 103 Ca -0.11 -0.05 -0.16 0.00 -1.41 0.00 0.00 60.65 58.92 1a6x s ILE 103 Cb 0.25 -0.53 0.01 0.00 0.13 0.00 0.00 42.46 42.32 1a6x s ILE 103 CO 0.79 0.22 0.36 -1.61 -1.91 0.00 0.00 174.94 172.80 1a6x s GLU 104 N 1.14 3.28 -0.49 3.50 0.41 -1.26 -5.00 118.70 120.28 1a6x s GLU 104 Ca -0.08 -0.68 -0.45 0.00 -0.41 0.00 0.00 54.97 53.35 1a6x s GLU 104 Cb -0.14 -3.90 -0.19 0.00 -1.78 0.00 0.00 34.13 28.12 1a6x s GLU 104 CO -0.01 -0.67 1.82 0.28 -0.49 0.00 0.00 175.26 176.18 1a6x n VAL 105 N 5.28 0.02 0.00 2.63 0.31 -1.26 -1.57 118.33 123.74 1a6x n VAL 105 Ca -0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1a6x n VAL 105 Cb 0.48 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 5.36 1.80 3.59 2.92 0.00 -1.26 -5.10 105.19 112.49 1a6x n GLY 106 Ca 0.40 0.00 -0.27 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 -0.66 1.91 -0.26 1.61 0.74 -0.61 -5.07 119.66 117.34 1a6x s GLN 107 Ca 0.00 -2.10 -0.07 0.00 0.05 0.00 0.00 55.36 53.25 1a6x s GLN 107 Cb 0.00 -1.41 -0.02 0.00 1.10 0.00 0.00 33.01 32.68 1a6x s GLN 107 CO 0.00 -0.13 0.05 -1.59 -0.55 0.00 0.00 175.29 173.07 1a6x s LYS 108 N -3.77 3.46 -0.05 1.67 -2.85 -1.26 -4.14 119.74 112.80 1a6x s LYS 108 Ca 0.32 -0.60 0.05 0.00 -1.00 0.00 0.00 55.97 54.74 1a6x s LYS 108 Cb 0.09 -3.28 -0.02 0.00 -2.06 0.00 0.00 37.83 32.55 1a6x s LYS 108 CO 0.16 -0.26 -0.20 0.14 0.10 0.00 0.00 175.35 175.29 1a6x s VAL 109 N 1.56 2.57 0.09 1.79 -7.23 -0.52 -5.00 120.40 113.67 1a6x s VAL 109 Ca 0.05 -0.90 0.05 0.00 -1.81 0.00 0.00 61.98 59.38 1a6x s VAL 109 Cb -0.15 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 1a6x s VAL 109 CO 0.02 0.58 -0.13 0.20 -0.31 0.00 0.00 175.10 175.46 1a6x s ASN 110 N -0.48 1.69 -0.52 4.85 -0.87 -1.26 -0.74 114.94 117.61 1a6x s ASN 110 Ca 0.06 -0.74 -0.43 0.00 -1.57 0.00 0.00 52.86 50.18 1a6x s ASN 110 Cb -0.12 -0.04 -0.19 0.00 -0.02 0.00 0.00 41.25 40.89 1a6x s ASN 110 CO 0.01 -0.16 2.17 0.52 -2.57 0.00 0.00 177.10 177.07 1a6x n VAL 111 N 0.82 0.01 0.00 1.60 0.31 -1.26 -0.32 118.33 119.49 1a6x n VAL 111 Ca -0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1a6x n VAL 111 Cb 0.56 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 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 7.43 1.35 3.81 2.92 0.00 -1.26 -5.04 105.19 114.39 1a6x n GLY 112 Ca 0.55 0.00 -0.38 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 -0.70 6.90 0.61 1.61 1.11 0.56 -4.89 116.67 121.88 1a6x s ASP 113 Ca 0.00 1.07 -0.18 0.00 0.18 0.00 0.00 52.55 53.62 1a6x s ASP 113 Cb 0.00 -2.30 -0.02 0.00 1.07 0.00 0.00 42.92 41.66 1a6x s ASP 113 CO 0.00 0.25 1.21 -0.89 1.18 0.00 0.00 175.17 176.93 1a6x s THR 114 N -0.82 2.55 -0.06 -1.27 2.01 -1.26 -1.36 115.64 115.42 1a6x s THR 114 Ca 0.26 0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.61 1a6x s THR 114 Cb -0.18 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 1a6x s THR 114 CO 0.15 -0.08 -0.03 -0.11 -0.69 0.00 0.00 174.62 173.86 1a6x n LEU 115 N -1.76 2.03 0.00 4.42 7.94 0.11 -4.66 117.00 125.08 1a6x n LEU 115 Ca 0.14 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 1a6x n LEU 115 Cb 0.50 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.33 1a6x n LEU 115 CO 0.45 0.45 0.00 0.00 -1.11 0.00 0.00 177.39 177.18 1a6x s ILE 117 N -2.06 1.17 -0.08 0.00 -1.09 -0.53 -0.41 121.20 118.20 1a6x s ILE 117 Ca 0.00 -1.99 -0.04 0.00 -2.23 0.00 0.00 60.65 56.39 1a6x s ILE 117 Cb 0.00 -1.77 0.04 0.00 -1.58 0.00 0.00 42.46 39.15 1a6x s ILE 117 CO 0.00 -0.70 0.18 -0.69 -1.23 0.00 0.00 174.94 172.50 1a6x s VAL 118 N -3.12 -0.04 0.00 2.92 1.01 0.13 -0.29 120.40 121.01 1a6x s VAL 118 Ca 0.15 0.16 -0.21 0.00 0.00 0.00 0.00 61.98 62.08 1a6x s VAL 118 Cb 0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 1a6x s VAL 118 CO 0.01 0.07 0.61 -0.70 0.00 0.00 0.00 175.10 175.08 1a6x s GLU 119 N 1.14 4.32 -0.06 2.72 2.12 0.44 0.22 118.70 129.60 1a6x s GLU 119 Ca -0.09 0.76 -0.32 0.00 0.36 0.00 0.00 54.97 55.68 1a6x s GLU 119 Cb -0.11 -3.34 0.13 0.00 0.26 0.00 0.00 34.13 31.08 1a6x s GLU 119 CO -0.06 0.38 1.35 0.00 -0.54 0.00 0.00 175.26 176.38 1a6x s ALA 120 N -0.23 -2.35 -1.64 6.30 0.00 -0.51 -1.18 121.76 122.16 1a6x s ALA 120 Ca 0.31 0.84 -0.09 0.00 0.00 0.00 0.00 51.96 53.02 1a6x s ALA 120 Cb -0.18 0.28 0.09 0.00 0.00 0.00 0.00 23.12 23.31 1a6x s ALA 120 CO 0.18 -1.04 0.36 0.00 0.00 0.00 0.00 175.76 175.25 1a6x n MET 121 N -0.48 -1.64 -4.22 0.00 0.00 -1.26 0.25 117.12 109.77 1a6x n MET 121 Ca -0.09 0.20 -0.33 0.00 0.00 0.00 0.00 57.70 57.49 1a6x n MET 121 Cb 0.63 -4.29 -0.07 0.00 0.00 0.00 0.00 33.22 29.49 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 -4.38 -1.18 -3.61 3.17 5.02 -1.26 -4.88 118.16 111.04 1a6x n LYS 122 Ca -0.14 0.14 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1a6x n LYS 122 Cb 0.60 -3.56 -0.02 0.00 -0.02 0.00 0.00 35.03 32.03 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1a6x s MET 123 N -7.25 0.22 0.29 1.97 -1.94 0.14 -5.15 119.30 107.57 1a6x s MET 123 Ca 0.09 -0.09 -0.28 0.00 -1.71 0.00 0.00 55.69 53.70 1a6x s MET 123 Cb -0.05 0.09 -0.09 0.00 2.01 0.00 0.00 34.83 36.79 1a6x s MET 123 CO 0.98 -0.10 0.96 -1.64 -0.01 0.00 0.00 175.02 175.22 1a6x s MET 124 N -2.28 4.69 -0.31 2.03 -1.94 -1.26 -1.42 119.30 118.81 1a6x s MET 124 Ca 0.11 1.46 -0.01 0.00 -1.71 0.00 0.00 55.69 55.53 1a6x s MET 124 Cb 0.00 -3.04 0.10 0.00 2.01 0.00 0.00 34.83 33.90 1a6x s MET 124 CO -0.04 0.36 0.11 -0.80 -0.01 0.00 0.00 175.02 174.64 1a6x s ASN 125 N -1.35 3.91 0.39 3.03 0.01 0.13 -4.92 114.94 116.15 1a6x s ASN 125 Ca 0.46 -1.58 -0.25 0.00 -0.71 0.00 0.00 52.86 50.78 1a6x s ASN 125 Cb -0.23 -0.75 -0.09 0.00 0.41 0.00 0.00 41.25 40.59 1a6x s ASN 125 CO 0.29 -0.42 1.11 -1.58 -1.51 0.00 0.00 177.10 175.00 1a6x s GLN 126 N 1.70 4.15 -0.28 -0.60 -0.44 -1.26 0.22 119.66 123.15 1a6x s GLN 126 Ca 0.10 1.70 -0.07 0.00 -2.50 0.00 0.00 55.36 54.59 1a6x s GLN 126 Cb -0.17 -2.66 0.00 0.00 -1.64 0.00 0.00 33.01 28.54 1a6x s GLN 126 CO -0.27 -0.20 0.07 0.42 0.50 0.00 0.00 175.29 175.80 1a6x s ILE 127 N -1.49 3.96 -0.03 -2.34 1.01 0.45 -4.89 121.20 117.87 1a6x s ILE 127 Ca 0.56 -0.61 -0.18 0.00 0.00 0.00 0.00 60.65 60.41 1a6x s ILE 127 Cb -0.27 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 1a6x s ILE 127 CO 0.34 0.14 0.52 -0.70 0.00 0.00 0.00 174.94 175.24 1a6x s GLU 128 N 1.51 4.23 0.07 2.79 2.12 -1.26 -0.71 118.70 127.44 1a6x s GLU 128 Ca 0.03 0.58 -0.36 0.00 0.36 0.00 0.00 54.97 55.58 1a6x s GLU 128 Cb -0.17 -3.34 -0.19 0.00 0.26 0.00 0.00 34.13 30.70 1a6x s GLU 128 CO 0.02 0.40 0.92 0.00 -0.54 0.00 0.00 175.26 176.06 1a6x n ALA 129 N 2.74 -3.28 -0.58 6.30 0.00 -0.47 -4.83 120.51 120.39 1a6x n ALA 129 Ca -0.09 0.55 0.07 0.00 0.00 0.00 0.00 53.44 53.97 1a6x n ALA 129 Cb 0.51 -1.73 0.21 0.00 0.00 0.00 0.00 19.45 18.45 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 1.68 3.48 0.00 0.00 8.00 -1.26 -4.31 116.55 124.13 1a6x n ASP 130 Ca 0.19 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 53.20 1a6x n ASP 130 Cb 0.14 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1a6x n ASP 130 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1a6x n LYS 131 N 0.07 0.00 -1.20 -1.24 5.02 -1.26 -5.05 118.16 114.50 1a6x n LYS 131 Ca 0.17 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.08 1a6x n LYS 131 Cb 0.67 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.69 1a6x n LYS 131 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1a6x n SER 132 N 0.00 -3.32 -1.86 4.39 3.41 -1.26 -4.90 113.62 110.08 1a6x n SER 132 Ca 0.00 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 1a6x n SER 132 Cb 0.00 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 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 2.35 0.66 2.52 5.00 0.00 0.08 -4.97 105.19 110.83 1a6x n GLY 133 Ca 0.08 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.28 1.25 -0.82 2.61 -1.04 -1.26 -1.44 114.28 113.30 1a6x n THR 134 Ca 0.01 -4.70 0.10 0.00 -2.04 0.00 0.00 64.05 57.42 1a6x n THR 134 Cb 0.19 -0.57 -0.03 0.00 -1.82 0.00 0.00 70.33 68.10 1a6x n THR 134 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1a6x n VAL 135 N -0.01 0.00 0.01 12.58 3.14 -1.26 -4.56 118.33 128.22 1a6x n VAL 135 Ca 0.26 0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.69 1a6x n VAL 135 Cb 0.60 -0.31 0.00 0.00 -1.06 0.00 0.00 33.84 33.07 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 -2.64 0.00 0.00 1.45 4.81 -0.81 -0.75 118.16 120.22 1a6x n LYS 136 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1a6x n LYS 136 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 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 -2.38 0.00 -2.80 3.14 0.00 -0.35 -4.96 120.51 113.17 1a6x n ALA 137 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1a6x n ALA 137 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.80 4.80 -0.05 0.00 -1.09 -1.26 0.99 121.20 123.80 1a6x s ILE 138 Ca 0.00 -0.44 -0.02 0.00 -2.23 0.00 0.00 60.65 57.96 1a6x s ILE 138 Cb 0.00 -3.23 -0.02 0.00 -1.58 0.00 0.00 42.46 37.63 1a6x s ILE 138 CO 0.00 0.30 -0.06 0.18 -1.23 0.00 0.00 174.94 174.13 1a6x n LEU 139 N 1.00 0.56 -4.59 2.97 4.77 -0.72 -4.93 117.00 116.05 1a6x n LEU 139 Ca -0.12 0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.63 1a6x n LEU 139 Cb 0.52 -0.14 0.21 0.00 -2.33 0.00 0.00 43.42 41.69 1a6x n LEU 139 CO 0.40 0.14 0.58 0.54 -1.33 0.00 0.00 177.39 177.73 1a6x s VAL 140 N -2.09 2.03 0.32 4.08 0.11 -0.67 -5.06 120.40 119.12 1a6x s VAL 140 Ca -0.07 0.01 0.10 0.00 -2.93 0.00 0.00 61.98 59.09 1a6x s VAL 140 Cb 0.02 -2.31 -0.05 0.00 -1.53 0.00 0.00 36.38 32.51 1a6x s VAL 140 CO 0.08 -0.01 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.10 1a6x s GLU 141 N -4.74 2.00 -1.13 1.54 -6.30 -1.26 -5.02 118.70 103.79 1a6x s GLU 141 Ca 0.67 -1.74 -0.19 0.00 -2.50 0.00 0.00 54.97 51.20 1a6x s GLU 141 Cb -0.21 -1.89 0.09 0.00 0.00 0.00 0.00 34.13 32.11 1a6x s GLU 141 CO 0.61 0.19 1.49 0.45 0.02 0.00 0.00 175.26 178.02 1a6x s SER 142 N -3.66 6.72 0.00 -1.70 0.15 -1.26 -2.83 113.70 111.12 1a6x s SER 142 Ca 0.33 -2.12 0.00 0.00 0.70 0.00 0.00 55.95 54.87 1a6x s SER 142 Cb -0.01 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1a6x s SER 142 CO 0.18 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 174.02 1a6x n GLY 143 N 5.74 0.84 3.84 9.45 0.00 0.98 -4.81 105.19 121.23 1a6x n GLY 143 Ca 0.37 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 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 4.05 0.85 1.61 0.74 -1.13 -4.78 119.66 121.01 1a6x s GLN 144 Ca 0.00 0.86 -0.12 0.00 0.05 0.00 0.00 55.36 56.15 1a6x s GLN 144 Cb 0.00 -2.29 0.10 0.00 1.10 0.00 0.00 33.01 31.93 1a6x s GLN 144 CO 0.00 -0.00 1.12 -1.25 -0.55 0.00 0.00 175.29 174.61 1a6x s PRO 145 N -3.32 1.61 0.09 1.67 0.04 -1.26 -1.05 135.00 132.78 1a6x s PRO 145 Ca 0.58 0.46 -0.15 0.00 0.04 0.00 0.00 61.00 61.93 1a6x s PRO 145 Cb -0.10 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.59 1a6x s PRO 145 CO 0.19 -1.91 0.35 0.14 0.04 0.00 0.00 177.00 175.81 1a6x s VAL 146 N -3.22 0.08 -0.06 -0.36 -7.23 0.13 -4.74 120.40 105.00 1a6x s VAL 146 Ca 0.62 -0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 60.07 1a6x s VAL 146 Cb -0.15 -1.13 0.03 0.00 0.56 0.00 0.00 36.38 35.69 1a6x s VAL 146 CO 0.54 -0.38 0.13 -1.83 -0.31 0.00 0.00 175.10 173.24 1a6x s GLU 147 N -3.43 0.09 0.26 4.82 -1.05 -1.26 -1.46 118.70 116.68 1a6x s GLU 147 Ca 0.01 0.29 -0.16 0.00 -0.15 0.00 0.00 54.97 54.96 1a6x s GLU 147 Cb 0.02 -0.11 -0.11 0.00 -0.44 0.00 0.00 34.13 33.48 1a6x s GLU 147 CO -0.09 -0.12 0.12 0.34 0.95 0.00 0.00 175.26 176.45 1a6x n PHE 148 N 3.86 -1.30 0.00 4.83 7.35 -1.25 -0.55 117.46 130.40 1a6x n PHE 148 Ca -0.22 0.49 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 1a6x n PHE 148 Cb 0.54 -1.29 0.00 0.00 0.35 0.00 0.00 39.48 39.08 1a6x n PHE 148 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1a6x n ASP 149 N 1.62 0.00 -4.86 -2.13 5.68 -1.25 -4.99 116.55 110.62 1a6x n ASP 149 Ca 0.09 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 54.02 1a6x n ASP 149 Cb 0.27 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.19 1a6x n ASP 149 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1a6x s GLU 150 N -0.31 3.74 0.69 0.11 0.41 0.29 -4.94 118.70 118.70 1a6x s GLU 150 Ca 0.00 0.17 -0.11 0.00 -0.41 0.00 0.00 54.97 54.62 1a6x s GLU 150 Cb 0.00 -3.10 0.01 0.00 -1.78 0.00 0.00 34.13 29.25 1a6x s GLU 150 CO 0.00 0.64 1.06 -1.25 -0.49 0.00 0.00 175.26 175.22 1a6x s PRO 151 N -1.53 2.95 0.00 0.39 0.04 -1.26 0.24 135.00 135.84 1a6x s PRO 151 Ca 0.27 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1a6x s PRO 151 Cb -0.14 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1a6x s PRO 151 CO 0.15 -1.09 0.00 1.28 0.04 0.00 0.00 177.00 177.38 1a6x n LEU 152 N -3.10 0.00 -4.21 -3.56 4.77 0.29 -4.56 117.00 106.62 1a6x n LEU 152 Ca 0.08 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.78 1a6x n LEU 152 Cb 0.53 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.47 1a6x n LEU 152 CO 0.56 0.00 -0.53 -0.69 -1.33 0.00 0.00 177.39 175.39 1a6x s VAL 153 N 0.00 1.69 -0.15 4.08 1.01 -1.24 -1.68 120.40 124.11 1a6x s VAL 153 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1a6x s VAL 153 Cb 0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1a6x s VAL 153 CO 0.00 0.48 0.10 -0.69 0.00 0.00 0.00 175.10 174.99 1a6x s VAL 154 N -0.28 5.13 0.36 2.92 1.01 0.28 -1.81 120.40 128.01 1a6x s VAL 154 Ca 0.02 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1a6x s VAL 154 Cb -0.10 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1a6x s VAL 154 CO 0.01 0.54 0.11 -0.63 0.00 0.00 0.00 175.10 175.13 1a6x s ILE 155 N -0.37 2.73 -2.27 2.22 1.09 -0.22 -1.21 121.20 123.18 1a6x s ILE 155 Ca 0.10 -1.79 0.18 0.00 -1.10 0.00 0.00 60.65 58.05 1a6x s ILE 155 Cb -0.12 -2.92 0.14 0.00 -1.06 0.00 0.00 42.46 38.50 1a6x s ILE 155 CO 0.01 -0.15 1.07 -1.84 -0.10 0.00 0.00 174.94 173.94