#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6x s GLU 71 N 0.00 4.20 0.00 3.17 2.02 -1.26 -4.18 118.70 122.65 1a6x s GLU 71 Ca 0.00 2.30 0.00 0.00 0.02 0.00 0.00 54.97 57.29 1a6x s GLU 71 Cb 0.00 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.65 1a6x s GLU 71 CO 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 175.26 174.56 1a6x n ALA 72 N 5.53 0.00 -0.95 5.21 0.00 -1.26 -5.01 120.51 124.03 1a6x n ALA 72 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.34 1a6x n ALA 72 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 1a6x n ALA 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1a6x n PRO 73 N 0.00 2.58 -1.40 0.00 -0.04 -1.26 -4.90 135.00 129.98 1a6x n PRO 73 Ca 0.00 -1.61 -0.59 0.00 -0.04 0.00 0.00 63.50 61.26 1a6x n PRO 73 Cb 0.00 -2.48 -0.10 0.00 -0.04 0.00 0.00 33.50 30.88 1a6x n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a6x n ALA 74 N 3.71 0.14 -2.10 0.55 0.00 -1.26 -4.77 120.51 116.78 1a6x n ALA 74 Ca 0.55 0.20 -0.41 0.00 0.00 0.00 0.00 53.44 53.78 1a6x n ALA 74 Cb 0.26 -2.17 -0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 7.30 6.00 -1.01 0.00 0.00 -1.26 -4.95 120.51 126.59 1a6x n ALA 75 Ca 0.46 -4.15 0.13 0.00 0.00 0.00 0.00 53.44 49.88 1a6x n ALA 75 Cb 0.03 -3.00 -0.04 0.00 0.00 0.00 0.00 19.45 16.45 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 3.37 -3.18 -2.68 0.00 0.00 -1.26 -4.94 120.51 111.82 1a6x n ALA 76 Ca 0.51 0.35 -0.01 0.00 0.00 0.00 0.00 53.44 54.29 1a6x n ALA 76 Cb 0.32 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1a6x n ALA 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a6x n GLU 77 N -3.14 -1.09 -2.90 0.00 2.13 -1.26 -4.97 120.64 109.41 1a6x n GLU 77 Ca -0.00 1.31 -0.30 0.00 0.66 0.00 0.00 57.16 58.83 1a6x n GLU 77 Cb 0.61 -4.76 -0.03 0.00 0.27 0.00 0.00 31.44 27.53 1a6x n GLU 77 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1a6x n ILE 78 N -1.47 3.63 0.29 6.31 0.13 -1.26 -4.88 119.36 122.11 1a6x n ILE 78 Ca 0.01 -5.65 -0.18 0.00 -1.10 0.00 0.00 62.75 55.83 1a6x n ILE 78 Cb 0.49 -1.45 -0.10 0.00 -0.84 0.00 0.00 39.64 37.74 1a6x n ILE 78 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1a6x h SER 79 N 3.25 -1.32 -4.21 9.51 4.64 -1.94 -3.49 113.55 119.99 1a6x h SER 79 Ca 0.21 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1a6x h SER 79 Cb 0.47 0.43 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1a6x h SER 79 CO 0.89 -0.65 -0.78 0.61 -0.87 0.00 0.00 176.83 176.02 1a6x n GLY 80 N -1.56 -4.85 2.77 -0.77 0.00 -0.88 -5.01 105.19 94.89 1a6x n GLY 80 Ca -0.12 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.39 1.20 -0.33 1.61 5.65 0.93 -4.90 115.29 118.06 1a6x s HIS 81 Ca 0.00 -0.96 -0.20 0.00 0.25 0.00 0.00 55.06 54.16 1a6x s HIS 81 Cb 0.00 -1.10 -0.00 0.00 -1.18 0.00 0.00 32.58 30.30 1a6x s HIS 81 CO 0.00 -0.62 0.60 0.42 -0.65 0.00 0.00 174.74 174.49 1a6x s ILE 82 N 1.80 4.94 -0.29 0.89 -1.09 -1.26 -0.45 121.20 125.74 1a6x s ILE 82 Ca -0.01 0.65 -0.29 0.00 -2.23 0.00 0.00 60.65 58.76 1a6x s ILE 82 Cb -0.17 -4.01 0.01 0.00 -1.58 0.00 0.00 42.46 36.71 1a6x s ILE 82 CO -0.08 -0.21 1.08 -0.69 -1.23 0.00 0.00 174.94 173.82 1a6x s VAL 83 N 2.58 4.53 -0.11 2.92 1.01 0.11 -4.97 120.40 126.47 1a6x s VAL 83 Ca 0.23 1.79 0.03 0.00 0.00 0.00 0.00 61.98 64.03 1a6x s VAL 83 Cb -0.15 -4.37 -0.00 0.00 0.00 0.00 0.00 36.38 31.86 1a6x s VAL 83 CO 0.13 -0.39 -0.22 -0.13 0.00 0.00 0.00 175.10 174.49 1a6x s ARG 84 N 3.56 3.09 -0.26 2.72 0.52 -1.26 0.12 118.95 127.44 1a6x s ARG 84 Ca 0.46 -0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 54.52 1a6x s ARG 84 Cb -0.13 -2.37 -0.07 0.00 0.52 0.00 0.00 34.95 32.90 1a6x s ARG 84 CO 0.13 0.15 2.23 0.43 0.02 0.00 0.00 175.30 178.26 1a6x n SER 85 N 3.61 2.96 0.00 0.23 7.64 0.15 -4.78 113.62 123.42 1a6x n SER 85 Ca -0.19 0.23 0.11 0.00 1.01 0.00 0.00 58.87 60.03 1a6x n SER 85 Cb 0.53 -1.49 0.68 0.00 -1.01 0.00 0.00 64.21 62.92 1a6x n SER 85 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1a6x n PRO 86 N 8.64 0.75 -3.65 1.43 -0.04 -1.26 -2.11 135.00 138.77 1a6x n PRO 86 Ca 0.33 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.74 1a6x n PRO 86 Cb 0.40 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.32 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 0.64 0.57 0.54 -1.94 -1.26 -4.81 119.30 111.04 1a6x s MET 87 Ca 0.34 1.27 -0.18 0.00 -1.71 0.00 0.00 55.69 55.41 1a6x s MET 87 Cb 0.16 0.36 -0.08 0.00 2.01 0.00 0.00 34.83 37.28 1a6x s MET 87 CO 0.26 -0.17 0.52 0.28 -0.01 0.00 0.00 175.02 175.90 1a6x n VAL 88 N 4.70 2.24 0.00 -6.03 0.31 -1.26 -4.59 118.33 113.70 1a6x n VAL 88 Ca -0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1a6x n VAL 88 Cb 0.55 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 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 1.78 -0.54 2.76 2.92 0.00 -0.26 -4.71 105.19 107.15 1a6x n GLY 89 Ca 0.12 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.62 0.01 -0.04 2.61 2.01 0.13 0.25 115.64 118.99 1a6x s THR 90 Ca 0.00 0.23 -0.19 0.00 0.31 0.00 0.00 61.69 62.04 1a6x s THR 90 Cb 0.00 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.29 1a6x s THR 90 CO 0.00 0.14 0.54 0.12 -0.69 0.00 0.00 174.62 174.72 1a6x s PHE 91 N 1.39 3.63 0.05 4.92 2.19 0.13 -0.09 117.98 130.20 1a6x s PHE 91 Ca -0.05 1.08 0.05 0.00 0.33 0.00 0.00 56.93 58.34 1a6x s PHE 91 Cb -0.13 -2.56 -0.02 0.00 -1.31 0.00 0.00 43.02 39.00 1a6x s PHE 91 CO -0.03 0.32 -0.14 0.71 1.83 0.00 0.00 175.22 177.91 1a6x s TYR 92 N -0.01 1.25 -0.68 10.12 2.02 -0.26 -0.20 117.35 129.60 1a6x s TYR 92 Ca 0.29 -0.38 0.23 0.00 -0.37 0.00 0.00 57.07 56.84 1a6x s TYR 92 Cb -0.17 -0.73 -0.01 0.00 -0.40 0.00 0.00 41.96 40.65 1a6x s TYR 92 CO 0.15 0.04 0.98 0.54 -1.57 0.00 0.00 175.55 175.69 1a6x n ARG 93 N 1.75 0.23 -4.13 -0.62 5.12 -1.26 -1.05 116.66 116.71 1a6x n ARG 93 Ca -0.19 -0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 55.59 1a6x n ARG 93 Cb 0.54 -1.56 -0.11 0.00 -1.16 0.00 0.00 32.46 30.18 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 -3.17 0.66 0.05 0.55 -4.23 -1.26 -1.35 115.64 106.89 1a6x s THR 94 Ca 0.04 -1.56 0.18 0.00 -1.18 0.00 0.00 61.69 59.17 1a6x s THR 94 Cb 0.15 -1.21 0.11 0.00 1.34 0.00 0.00 72.50 72.88 1a6x s THR 94 CO 0.82 -0.64 1.63 1.55 -0.54 0.00 0.00 174.62 177.44 1a6x h PRO 95 N 3.65 0.00 -4.53 3.99 0.13 -1.91 -3.47 132.00 129.87 1a6x h PRO 95 Ca -0.36 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.42 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 0.54 0.42 -0.38 0.45 -0.23 0.00 0.00 178.00 178.80 1a6x s SER 96 N -6.43 1.15 0.06 1.44 0.15 -1.26 -5.07 113.70 103.75 1a6x s SER 96 Ca 0.01 -1.59 -0.15 0.00 0.70 0.00 0.00 55.95 54.93 1a6x s SER 96 Cb 0.10 0.58 -0.21 0.00 -1.71 0.00 0.00 66.02 64.78 1a6x s SER 96 CO 0.71 -1.13 1.20 1.55 1.20 0.00 0.00 173.24 176.77 1a6x h PRO 97 N 2.19 0.64 -2.00 5.44 0.13 -1.99 -3.30 132.00 133.11 1a6x h PRO 97 Ca -0.28 -0.63 -0.71 0.00 -0.87 0.00 0.00 66.00 63.52 1a6x h PRO 97 Cb 1.24 0.16 -0.33 0.00 0.13 0.00 0.00 31.00 32.20 1a6x h PRO 97 CO 0.39 1.23 0.35 -3.47 -0.23 0.00 0.00 178.00 176.27 1a6x n ASP 98 N -4.00 6.32 -4.23 1.44 4.64 -1.26 -4.98 116.55 114.48 1a6x n ASP 98 Ca -0.10 -3.75 -0.13 0.00 -1.38 0.00 0.00 54.79 49.43 1a6x n ASP 98 Cb 0.77 -0.86 -0.10 0.00 -1.04 0.00 0.00 41.12 39.89 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1a6x s ALA 99 N -3.91 1.31 1.01 -1.67 0.00 -1.25 -5.15 121.76 112.10 1a6x s ALA 99 Ca 0.47 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 1a6x s ALA 99 Cb 0.34 0.20 0.20 0.00 0.00 0.00 0.00 23.12 23.85 1a6x s ALA 99 CO -0.25 -0.19 1.08 0.15 0.00 0.00 0.00 175.76 176.55 1a6x s LYS 100 N -3.81 0.32 -0.03 0.00 3.01 -1.26 -4.86 119.74 113.10 1a6x s LYS 100 Ca 0.17 0.82 -0.20 0.00 -1.01 0.00 0.00 55.97 55.75 1a6x s LYS 100 Cb 0.04 -1.70 -0.05 0.00 -1.01 0.00 0.00 37.83 35.11 1a6x s LYS 100 CO -0.00 -2.88 0.57 0.00 0.51 0.00 0.00 175.35 173.55 1a6x s ALA 101 N -2.76 3.48 0.28 5.17 0.00 -1.26 -4.44 121.76 122.22 1a6x s ALA 101 Ca 0.66 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.61 1a6x s ALA 101 Cb -0.21 -2.72 0.58 0.00 0.00 0.00 0.00 23.12 20.77 1a6x s ALA 101 CO 0.60 0.13 1.80 0.74 0.00 0.00 0.00 175.76 179.02 1a6x h PHE 102 N 5.90 1.01 -3.39 0.00 0.04 -1.56 -3.39 116.94 115.55 1a6x h PHE 102 Ca -0.44 0.03 -0.32 0.00 2.80 0.00 0.00 57.97 60.04 1a6x h PHE 102 Cb 1.20 -0.31 -0.36 0.00 2.20 0.00 0.00 35.95 38.68 1a6x h PHE 102 CO 0.65 0.33 -0.71 0.96 -0.60 0.00 0.00 178.31 178.93 1a6x s ILE 103 N -5.94 -0.09 -0.27 -0.55 -4.36 -1.26 -4.90 121.20 103.82 1a6x s ILE 103 Ca -0.12 0.30 -0.10 0.00 -0.26 0.00 0.00 60.65 60.47 1a6x s ILE 103 Cb 0.23 -0.14 -0.04 0.00 1.25 0.00 0.00 42.46 43.76 1a6x s ILE 103 CO 0.80 0.13 0.15 -1.61 0.24 0.00 0.00 174.94 174.65 1a6x s GLU 104 N 1.57 3.83 -0.49 0.37 0.41 -1.26 -5.01 118.70 118.12 1a6x s GLU 104 Ca -0.03 -0.39 -0.46 0.00 -0.41 0.00 0.00 54.97 53.68 1a6x s GLU 104 Cb -0.12 -3.56 -0.19 0.00 -1.78 0.00 0.00 34.13 28.47 1a6x s GLU 104 CO -0.03 -0.20 1.78 0.28 -0.49 0.00 0.00 175.26 176.60 1a6x n VAL 105 N 5.02 0.01 0.00 2.63 0.31 -1.26 -1.71 118.33 123.34 1a6x n VAL 105 Ca -0.15 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1a6x n VAL 105 Cb 0.52 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 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 5.14 1.59 3.43 2.92 0.00 -1.26 -5.11 105.19 111.89 1a6x n GLY 106 Ca 0.39 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.11 1.57 0.34 1.61 0.74 -0.69 -5.01 119.66 118.11 1a6x s GLN 107 Ca 0.00 -1.81 0.08 0.00 0.05 0.00 0.00 55.36 53.68 1a6x s GLN 107 Cb 0.00 -1.13 -0.03 0.00 1.10 0.00 0.00 33.01 32.95 1a6x s GLN 107 CO 0.00 0.01 0.22 0.15 -0.55 0.00 0.00 175.29 175.12 1a6x s LYS 108 N -3.75 2.54 -0.00 1.67 3.01 -1.26 -2.77 119.74 119.18 1a6x s LYS 108 Ca 0.30 -1.43 -0.00 0.00 -1.01 0.00 0.00 55.97 53.83 1a6x s LYS 108 Cb 0.05 -2.32 -0.00 0.00 -1.01 0.00 0.00 37.83 34.54 1a6x s LYS 108 CO 0.12 0.08 0.00 0.14 0.51 0.00 0.00 175.35 176.21 1a6x s VAL 109 N -2.37 0.00 0.06 3.17 -7.23 0.44 -5.00 120.40 109.48 1a6x s VAL 109 Ca 0.40 -0.03 0.08 0.00 -1.81 0.00 0.00 61.98 60.63 1a6x s VAL 109 Cb -0.04 -0.02 -0.03 0.00 0.56 0.00 0.00 36.38 36.84 1a6x s VAL 109 CO 0.25 -0.01 -0.21 0.20 -0.31 0.00 0.00 175.10 175.01 1a6x s ASN 110 N -0.04 3.58 -0.52 4.85 -0.87 -1.26 -0.76 114.94 119.92 1a6x s ASN 110 Ca -0.00 -0.53 -0.43 0.00 -1.57 0.00 0.00 52.86 50.33 1a6x s ASN 110 Cb -0.00 -0.47 -0.19 0.00 -0.02 0.00 0.00 41.25 40.57 1a6x s ASN 110 CO -0.00 0.24 2.17 0.55 -2.57 0.00 0.00 177.10 177.49 1a6x n VAL 111 N 1.42 0.01 0.00 1.60 3.14 -1.26 0.32 118.33 123.55 1a6x n VAL 111 Ca -0.16 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1a6x n VAL 111 Cb 0.52 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 1a6x n VAL 111 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1a6x n GLY 112 N 7.41 1.40 3.81 7.55 0.00 -1.22 -5.03 105.19 119.11 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 -1.56 6.80 0.39 1.61 1.11 0.15 -4.85 116.67 120.32 1a6x s ASP 113 Ca 0.00 0.95 -0.27 0.00 0.18 0.00 0.00 52.55 53.41 1a6x s ASP 113 Cb 0.00 -2.26 -0.09 0.00 1.07 0.00 0.00 42.92 41.64 1a6x s ASP 113 CO 0.00 0.25 1.29 -0.89 1.18 0.00 0.00 175.17 177.01 1a6x s THR 114 N -0.72 2.68 -0.08 -1.27 2.01 -1.26 -0.90 115.64 116.10 1a6x s THR 114 Ca 0.24 0.62 0.05 0.00 0.31 0.00 0.00 61.69 62.92 1a6x s THR 114 Cb -0.17 -3.37 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 1a6x s THR 114 CO 0.13 0.10 0.00 0.00 -0.69 0.00 0.00 174.62 174.17 1a6x n LEU 115 N 0.27 0.60 0.00 4.42 -0.00 0.09 -4.67 117.00 117.71 1a6x n LEU 115 Ca 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1a6x n LEU 115 Cb 0.43 0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1a6x n LEU 115 CO 0.56 0.28 0.01 0.00 -0.00 0.00 0.00 177.39 178.24 1a6x s ILE 117 N -2.13 1.22 -0.11 0.00 -1.09 -0.21 -0.44 121.20 118.44 1a6x s ILE 117 Ca 0.00 -1.81 -0.02 0.00 -2.23 0.00 0.00 60.65 56.60 1a6x s ILE 117 Cb -0.00 -1.59 0.04 0.00 -1.58 0.00 0.00 42.46 39.32 1a6x s ILE 117 CO -0.00 -0.54 0.01 -0.69 -1.23 0.00 0.00 174.94 172.49 1a6x s VAL 118 N -2.54 0.45 -0.16 2.92 1.01 0.11 -1.10 120.40 121.09 1a6x s VAL 118 Ca 0.11 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 1a6x s VAL 118 Cb -0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1a6x s VAL 118 CO 0.02 0.14 0.17 -0.70 0.00 0.00 0.00 175.10 174.73 1a6x s GLU 119 N 1.93 3.98 -0.07 2.72 2.12 0.87 0.23 118.70 130.48 1a6x s GLU 119 Ca 0.03 -0.12 -0.29 0.00 0.36 0.00 0.00 54.97 54.95 1a6x s GLU 119 Cb -0.13 -3.35 0.11 0.00 0.26 0.00 0.00 34.13 31.01 1a6x s GLU 119 CO -0.06 0.44 0.91 0.00 -0.54 0.00 0.00 175.26 176.01 1a6x s ALA 120 N -0.06 -1.86 -1.01 6.30 0.00 -0.43 0.22 121.76 124.92 1a6x s ALA 120 Ca 0.12 1.25 -0.03 0.00 0.00 0.00 0.00 51.96 53.30 1a6x s ALA 120 Cb -0.12 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1a6x s ALA 120 CO 0.01 -0.52 0.14 -1.33 0.00 0.00 0.00 175.76 174.06 1a6x n MET 121 N 0.20 -2.67 -3.56 0.00 2.81 -1.26 0.21 117.12 112.87 1a6x n MET 121 Ca -0.10 0.50 -0.21 0.00 -1.81 0.00 0.00 57.70 56.08 1a6x n MET 121 Cb 0.60 -5.12 0.08 0.00 -0.71 0.00 0.00 33.22 28.06 1a6x n MET 121 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1a6x n LYS 122 N -3.04 -7.11 -3.72 0.03 4.81 -1.26 -4.99 118.16 102.87 1a6x n LYS 122 Ca -0.09 0.81 -0.13 0.00 -0.87 0.00 0.00 58.31 58.03 1a6x n LYS 122 Cb 0.58 -5.81 -0.07 0.00 0.02 0.00 0.00 35.03 29.74 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1a6x s MET 123 N -5.93 0.81 -0.02 1.64 -1.94 0.13 -5.15 119.30 108.84 1a6x s MET 123 Ca 0.32 -0.35 -0.16 0.00 -1.71 0.00 0.00 55.69 53.79 1a6x s MET 123 Cb -0.14 0.36 -0.05 0.00 2.01 0.00 0.00 34.83 37.00 1a6x s MET 123 CO 0.74 -0.26 0.45 1.41 -0.01 0.00 0.00 175.02 177.36 1a6x s MET 124 N -2.13 4.08 -0.36 2.03 1.75 -1.26 -1.31 119.30 122.10 1a6x s MET 124 Ca -0.08 0.47 -0.00 0.00 -1.25 0.00 0.00 55.69 54.83 1a6x s MET 124 Cb -0.02 -3.28 0.13 0.00 2.84 0.00 0.00 34.83 34.50 1a6x s MET 124 CO -0.00 0.54 0.20 -0.80 -0.65 0.00 0.00 175.02 174.30 1a6x s ASN 125 N -0.63 3.28 0.40 1.11 0.01 0.13 -4.98 114.94 114.26 1a6x s ASN 125 Ca 0.25 -2.11 -0.26 0.00 -0.71 0.00 0.00 52.86 50.02 1a6x s ASN 125 Cb -0.17 -0.57 -0.09 0.00 0.41 0.00 0.00 41.25 40.84 1a6x s ASN 125 CO 0.13 -0.33 1.30 -1.58 -1.51 0.00 0.00 177.10 175.11 1a6x s GLN 126 N 1.10 3.98 -0.31 -0.60 0.74 -1.26 0.05 119.66 123.36 1a6x s GLN 126 Ca 0.16 2.15 -0.10 0.00 0.05 0.00 0.00 55.36 57.61 1a6x s GLN 126 Cb -0.22 -2.76 -0.01 0.00 1.10 0.00 0.00 33.01 31.12 1a6x s GLN 126 CO -0.06 -0.48 0.17 0.42 -0.55 0.00 0.00 175.29 174.79 1a6x s ILE 127 N -1.26 4.74 -0.21 -2.34 -1.09 0.42 -4.86 121.20 116.58 1a6x s ILE 127 Ca 0.57 -0.36 -0.13 0.00 -2.23 0.00 0.00 60.65 58.49 1a6x s ILE 127 Cb -0.38 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1a6x s ILE 127 CO 0.49 0.07 0.27 -1.83 -1.23 0.00 0.00 174.94 172.71 1a6x s GLU 128 N 1.64 4.14 0.10 2.79 1.03 -1.26 -0.73 118.70 126.40 1a6x s GLU 128 Ca 0.05 -0.03 -0.35 0.00 0.03 0.00 0.00 54.97 54.67 1a6x s GLU 128 Cb -0.17 -3.52 -0.18 0.00 -0.80 0.00 0.00 34.13 29.46 1a6x s GLU 128 CO 0.07 0.04 1.03 0.00 -1.33 0.00 0.00 175.26 175.08 1a6x n ALA 129 N 4.27 -2.29 -0.57 -0.84 0.00 -0.08 -4.84 120.51 116.16 1a6x n ALA 129 Ca -0.12 0.52 0.06 0.00 0.00 0.00 0.00 53.44 53.90 1a6x n ALA 129 Cb 0.52 -1.85 0.14 0.00 0.00 0.00 0.00 19.45 18.25 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 1.88 2.82 -2.90 0.00 -0.08 -1.26 -3.43 116.55 113.57 1a6x n ASP 130 Ca 0.18 -2.54 0.01 0.00 -1.51 0.00 0.00 54.79 50.93 1a6x n ASP 130 Cb 0.18 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.33 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 -1.94 0.43 0.17 -0.67 2.36 -1.26 -5.03 119.74 113.80 1a6x s LYS 131 Ca 0.25 -0.19 -0.28 0.00 -2.55 0.00 0.00 55.97 53.20 1a6x s LYS 131 Cb 0.19 0.04 -0.17 0.00 -1.05 0.00 0.00 37.83 36.84 1a6x s LYS 131 CO 0.07 -0.61 0.56 -1.13 1.55 0.00 0.00 175.35 175.79 1a6x n SER 132 N 3.78 -1.08 -1.90 1.43 3.41 -1.26 -4.90 113.62 113.10 1a6x n SER 132 Ca 0.08 1.09 0.01 0.00 -0.26 0.00 0.00 58.87 59.80 1a6x n SER 132 Cb 0.61 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 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 1.88 0.39 3.77 5.00 0.00 0.06 -4.97 105.19 111.33 1a6x n GLY 133 Ca 0.18 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.05 2.53 0.40 2.61 2.01 -1.26 -0.42 115.64 119.46 1a6x s THR 134 Ca 0.10 -1.60 -0.27 0.00 0.31 0.00 0.00 61.69 60.23 1a6x s THR 134 Cb -0.00 -3.00 -0.09 0.00 0.01 0.00 0.00 72.50 69.42 1a6x s THR 134 CO -0.01 -0.03 1.37 0.54 -0.69 0.00 0.00 174.62 175.80 1a6x s VAL 135 N -2.53 2.39 0.00 3.82 0.11 -1.11 -0.26 120.40 122.81 1a6x s VAL 135 Ca 0.42 0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.84 1a6x s VAL 135 Cb 0.01 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 1a6x s VAL 135 CO 0.24 0.07 0.00 1.17 -3.33 0.00 0.00 175.10 173.25 1a6x n LYS 136 N 0.22 0.00 0.00 1.54 3.00 0.28 -4.55 118.16 118.66 1a6x n LYS 136 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1a6x n LYS 136 Cb 0.42 -0.69 0.00 0.00 0.00 0.00 0.00 35.03 34.76 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 -2.69 0.00 -2.77 3.14 0.00 0.37 -4.95 120.51 113.61 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 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.31 5.43 -0.18 0.00 1.01 -1.26 0.14 121.20 126.04 1a6x s ILE 138 Ca 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.83 1a6x s ILE 138 Cb 0.00 -3.46 -0.10 0.00 0.01 0.00 0.00 42.46 38.92 1a6x s ILE 138 CO 0.00 0.49 -0.19 0.18 0.00 0.00 0.00 174.94 175.42 1a6x n LEU 139 N 3.05 2.22 -4.77 2.97 4.77 -0.98 -4.96 117.00 119.30 1a6x n LEU 139 Ca -0.17 0.05 -0.38 0.00 -0.03 0.00 0.00 56.01 55.48 1a6x n LEU 139 Cb 0.53 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1a6x n LEU 139 CO 0.35 0.60 0.83 0.54 -1.33 0.00 0.00 177.39 178.39 1a6x s VAL 140 N -2.34 3.18 -0.09 4.08 0.11 -0.28 -5.03 120.40 120.04 1a6x s VAL 140 Ca -0.24 0.97 -0.04 0.00 -2.93 0.00 0.00 61.98 59.74 1a6x s VAL 140 Cb 0.08 -3.54 -0.04 0.00 -1.53 0.00 0.00 36.38 31.35 1a6x s VAL 140 CO 0.36 0.07 0.07 -0.70 -3.33 0.00 0.00 175.10 171.57 1a6x s GLU 141 N -2.35 3.19 -0.86 1.54 2.56 -1.26 -4.97 118.70 116.54 1a6x s GLU 141 Ca 0.58 -0.30 -0.20 0.00 0.00 0.00 0.00 54.97 55.05 1a6x s GLU 141 Cb -0.30 -2.97 -0.22 0.00 2.00 0.00 0.00 34.13 32.64 1a6x s GLU 141 CO 0.38 0.73 2.35 -1.13 -0.56 0.00 0.00 175.26 177.02 1a6x n SER 142 N 1.97 0.45 0.00 -1.70 3.41 -1.26 0.19 113.62 116.67 1a6x n SER 142 Ca -0.19 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 1a6x n SER 142 Cb 0.54 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1a6x n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6x n GLY 143 N 6.19 1.30 3.68 5.00 0.00 0.72 -4.87 105.19 117.20 1a6x n GLY 143 Ca 0.56 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.20 1a6x n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a6x n GLN 144 N 0.00 1.24 -1.54 1.61 1.13 0.49 -4.58 117.38 115.73 1a6x n GLN 144 Ca 0.00 0.47 -0.29 0.00 -1.94 0.00 0.00 57.00 55.24 1a6x n GLN 144 Cb 0.00 -2.35 0.14 0.00 0.11 0.00 0.00 30.24 28.13 1a6x n GLN 144 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1a6x s PRO 145 N -2.83 1.13 0.06 -1.09 0.04 -1.26 0.20 135.00 131.25 1a6x s PRO 145 Ca 0.74 0.28 -0.00 0.00 0.04 0.00 0.00 61.00 62.07 1a6x s PRO 145 Cb -0.42 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1a6x s PRO 145 CO 0.47 -2.20 -0.04 0.14 0.04 0.00 0.00 177.00 175.41 1a6x s VAL 146 N -3.28 0.34 0.25 -0.36 -7.23 0.14 -4.52 120.40 105.74 1a6x s VAL 146 Ca 0.64 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 1a6x s VAL 146 Cb -0.15 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 1a6x s VAL 146 CO 0.53 -0.92 0.17 -0.70 -0.31 0.00 0.00 175.10 173.87 1a6x s GLU 147 N -3.68 1.42 -0.23 4.82 2.12 -1.26 -1.10 118.70 120.79 1a6x s GLU 147 Ca 0.06 -1.79 -0.29 0.00 0.36 0.00 0.00 54.97 53.32 1a6x s GLU 147 Cb 0.06 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.61 1a6x s GLU 147 CO -0.08 -0.46 1.65 0.12 -0.54 0.00 0.00 175.26 175.96 1a6x s PHE 148 N -3.86 2.03 0.00 5.30 2.19 -1.26 -1.29 117.98 121.10 1a6x s PHE 148 Ca 0.39 0.52 0.00 0.00 0.33 0.00 0.00 56.93 58.17 1a6x s PHE 148 Cb 0.06 -4.01 0.00 0.00 -1.31 0.00 0.00 43.02 37.76 1a6x s PHE 148 CO 0.17 -3.03 0.00 -0.40 1.83 0.00 0.00 175.22 173.79 1a6x n ASP 149 N 8.67 -2.50 -4.80 6.13 5.75 -0.90 -5.03 116.55 123.88 1a6x n ASP 149 Ca 0.19 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.62 1a6x n ASP 149 Cb 0.45 -0.42 -0.06 0.00 -1.03 0.00 0.00 41.12 40.06 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 -0.36 4.43 0.67 0.11 -6.30 -0.41 -4.86 118.70 111.99 1a6x s GLU 150 Ca 0.00 1.18 -0.12 0.00 -2.50 0.00 0.00 54.97 53.53 1a6x s GLU 150 Cb 0.00 -2.68 -0.00 0.00 0.00 0.00 0.00 34.13 31.45 1a6x s GLU 150 CO 0.00 0.24 1.06 -1.25 0.02 0.00 0.00 175.26 175.32 1a6x s PRO 151 N -2.29 3.02 0.00 4.30 0.04 -1.26 0.30 135.00 139.11 1a6x s PRO 151 Ca 0.51 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1a6x s PRO 151 Cb -0.16 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1a6x s PRO 151 CO 0.21 -1.03 0.00 1.28 0.04 0.00 0.00 177.00 177.50 1a6x n LEU 152 N -2.92 0.00 -4.30 -3.56 4.77 0.12 -4.62 117.00 106.49 1a6x n LEU 152 Ca 0.08 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 1a6x n LEU 152 Cb 0.53 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 1a6x n LEU 152 CO 0.54 0.00 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.44 1a6x s VAL 153 N 0.00 1.63 -0.22 4.08 1.01 -1.16 -1.12 120.40 124.62 1a6x s VAL 153 Ca 0.00 -1.81 -0.06 0.00 0.00 0.00 0.00 61.98 60.11 1a6x s VAL 153 Cb 0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1a6x s VAL 153 CO 0.00 -0.32 0.03 -0.69 0.00 0.00 0.00 175.10 174.11 1a6x s VAL 154 N -1.99 4.07 0.32 2.92 1.01 0.37 -0.71 120.40 126.39 1a6x s VAL 154 Ca 0.12 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.93 1a6x s VAL 154 Cb -0.06 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1a6x s VAL 154 CO 0.05 0.39 -0.01 -0.63 0.00 0.00 0.00 175.10 174.90 1a6x s ILE 155 N 1.30 2.72 -2.09 2.22 1.09 0.40 -0.48 121.20 126.36 1a6x s ILE 155 Ca 0.04 -2.00 0.31 0.00 -1.10 0.00 0.00 60.65 57.90 1a6x s ILE 155 Cb -0.15 -2.76 0.84 0.00 -1.06 0.00 0.00 42.46 39.34 1a6x s ILE 155 CO 0.02 -0.24 2.14 1.21 -0.10 0.00 0.00 174.94 177.97