#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 1.47 -0.66 0.03 4.04 -1.26 -5.03 118.70 117.29 1a6x s GLU 71 Ca 0.00 -0.84 -0.01 0.00 0.04 0.00 0.00 54.97 54.16 1a6x s GLU 71 Cb 0.00 0.48 -0.01 0.00 0.02 0.00 0.00 34.13 34.63 1a6x s GLU 71 CO 0.00 -0.68 0.61 0.00 -1.84 0.00 0.00 175.26 173.36 1a6x n ALA 72 N -0.49 -2.33 -1.52 -0.84 0.00 -1.26 -5.01 120.51 109.06 1a6x n ALA 72 Ca -0.05 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.11 1a6x n ALA 72 Cb 0.60 -1.73 0.18 0.00 0.00 0.00 0.00 19.45 18.50 1a6x n ALA 72 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a6x s PRO 73 N -3.15 0.27 0.06 0.00 0.04 -1.26 -4.95 135.00 126.02 1a6x s PRO 73 Ca 0.05 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1a6x s PRO 73 Cb -0.01 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1a6x s PRO 73 CO 0.63 -2.72 0.00 0.00 0.04 0.00 0.00 177.00 174.95 1a6x n ALA 74 N -4.07 0.00 -2.86 8.56 0.00 -1.26 -5.08 120.51 115.81 1a6x n ALA 74 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.57 1a6x n ALA 74 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.91 -4.24 0.14 0.00 0.00 -1.26 -4.94 121.76 109.55 1a6x s ALA 75 Ca 0.00 1.22 -0.27 0.00 0.00 0.00 0.00 51.96 52.91 1a6x s ALA 75 Cb 0.00 -2.97 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 1a6x s ALA 75 CO 0.00 -2.41 1.46 0.00 0.00 0.00 0.00 175.76 174.81 1a6x h ALA 76 N 5.82 -0.49 0.00 0.00 0.00 -1.98 -3.40 119.26 119.21 1a6x h ALA 76 Ca -0.04 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1a6x h ALA 76 Cb 1.22 1.31 -0.10 0.00 0.00 0.00 0.00 17.79 20.22 1a6x h ALA 76 CO -0.06 -0.84 0.14 -0.85 0.00 0.00 0.00 179.25 177.64 1a6x n GLU 77 N -4.94 0.05 -1.29 0.00 0.00 -1.26 -5.15 120.64 108.06 1a6x n GLU 77 Ca 0.01 -0.56 0.15 0.00 0.00 0.00 0.00 57.16 56.76 1a6x n GLU 77 Cb 0.23 -0.05 -0.06 0.00 0.00 0.00 0.00 31.44 31.56 1a6x n GLU 77 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 1a6x n ILE 78 N 0.48 -0.28 0.00 3.84 0.13 -1.26 -5.02 119.36 117.25 1a6x n ILE 78 Ca -0.08 0.54 0.00 0.00 -1.10 0.00 0.00 62.75 62.11 1a6x n ILE 78 Cb 0.76 -0.94 0.00 0.00 -0.84 0.00 0.00 39.64 38.63 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1a6x n SER 79 N -4.23 0.00 -2.02 9.51 3.41 -1.26 -5.15 113.62 113.87 1a6x n SER 79 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1a6x n SER 79 Cb 0.62 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1a6x n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6x n GLY 80 N -1.12 -5.28 3.16 5.00 0.00 -0.07 -5.04 105.19 101.86 1a6x n GLY 80 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.36 -0.57 -0.30 1.61 5.65 0.13 -4.92 115.29 115.53 1a6x s HIS 81 Ca 0.00 1.19 -0.11 0.00 0.25 0.00 0.00 55.06 56.39 1a6x s HIS 81 Cb 0.00 0.16 -0.04 0.00 -1.18 0.00 0.00 32.58 31.52 1a6x s HIS 81 CO 0.00 -0.37 0.20 0.42 -0.65 0.00 0.00 174.74 174.34 1a6x s ILE 82 N 2.03 5.23 -0.10 0.89 1.09 -1.26 0.02 121.20 129.10 1a6x s ILE 82 Ca -0.04 0.00 -0.29 0.00 -1.10 0.00 0.00 60.65 59.22 1a6x s ILE 82 Cb -0.11 -3.56 -0.06 0.00 -1.06 0.00 0.00 42.46 37.67 1a6x s ILE 82 CO -0.11 0.16 1.87 -0.69 -0.10 0.00 0.00 174.94 176.07 1a6x s VAL 83 N 1.74 3.30 -0.42 2.92 1.01 0.35 -4.91 120.40 124.39 1a6x s VAL 83 Ca 0.07 0.35 -0.07 0.00 0.00 0.00 0.00 61.98 62.32 1a6x s VAL 83 Cb -0.16 -3.28 0.09 0.00 0.00 0.00 0.00 36.38 33.03 1a6x s VAL 83 CO 0.10 -0.09 0.24 -0.13 0.00 0.00 0.00 175.10 175.22 1a6x s ARG 84 N 4.85 2.42 -0.75 2.72 0.52 -1.26 0.14 118.95 127.58 1a6x s ARG 84 Ca 0.84 -1.59 -0.36 0.00 -0.52 0.00 0.00 55.73 54.09 1a6x s ARG 84 Cb -0.34 -3.71 -0.20 0.00 0.52 0.00 0.00 34.95 31.22 1a6x s ARG 84 CO 0.35 -1.00 2.39 0.45 0.02 0.00 0.00 175.30 177.50 1a6x n SER 85 N 4.81 0.49 0.00 0.23 2.88 0.14 -4.61 113.62 117.57 1a6x n SER 85 Ca -0.08 0.40 0.11 0.00 -1.33 0.00 0.00 58.87 57.98 1a6x n SER 85 Cb 0.42 -0.89 0.68 0.00 -0.75 0.00 0.00 64.21 63.67 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 7.86 0.75 -3.71 -1.46 -0.04 -1.26 -1.89 135.00 135.26 1a6x n PRO 86 Ca 0.60 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.94 1a6x n PRO 86 Cb -0.00 -1.47 -0.12 0.00 -0.04 0.00 0.00 33.50 31.86 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 0.28 0.34 0.54 -1.94 -1.26 -4.89 119.30 110.37 1a6x s MET 87 Ca 0.34 0.67 -0.28 0.00 -1.71 0.00 0.00 55.69 54.72 1a6x s MET 87 Cb 0.16 -0.06 -0.09 0.00 2.01 0.00 0.00 34.83 36.84 1a6x s MET 87 CO 0.26 -0.18 1.21 0.08 -0.01 0.00 0.00 175.02 176.39 1a6x s VAL 88 N 1.47 3.05 0.00 -6.03 1.01 -1.26 -4.64 120.40 114.00 1a6x s VAL 88 Ca -0.08 1.00 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1a6x s VAL 88 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1a6x s VAL 88 CO -0.10 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1a6x n GLY 89 N 0.85 -0.55 3.49 4.51 0.00 -0.48 -4.77 105.19 108.24 1a6x n GLY 89 Ca 0.01 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 1.52 -0.00 2.61 2.01 -0.25 0.23 115.64 121.76 1a6x s THR 90 Ca 0.00 -2.03 0.00 0.00 0.31 0.00 0.00 61.69 59.98 1a6x s THR 90 Cb 0.00 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.73 1a6x s THR 90 CO 0.00 -0.06 -0.01 0.12 -0.69 0.00 0.00 174.62 173.98 1a6x s PHE 91 N -3.07 0.08 0.06 4.92 2.19 0.43 -0.83 117.98 121.77 1a6x s PHE 91 Ca 0.35 -0.01 0.04 0.00 0.33 0.00 0.00 56.93 57.64 1a6x s PHE 91 Cb 0.08 -0.07 -0.03 0.00 -1.31 0.00 0.00 43.02 41.69 1a6x s PHE 91 CO 0.16 -0.01 -0.11 0.71 1.83 0.00 0.00 175.22 177.80 1a6x s TYR 92 N 0.08 0.95 -0.41 10.12 2.02 0.80 0.08 117.35 130.99 1a6x s TYR 92 Ca -0.01 -0.51 0.22 0.00 -0.37 0.00 0.00 57.07 56.41 1a6x s TYR 92 Cb -0.02 -0.54 -0.19 0.00 -0.40 0.00 0.00 41.96 40.81 1a6x s TYR 92 CO -0.00 -0.01 0.76 0.54 -1.57 0.00 0.00 175.55 175.26 1a6x n ARG 93 N 1.26 0.41 -4.20 -0.62 5.12 -1.26 -1.02 116.66 116.35 1a6x n ARG 93 Ca -0.21 -0.08 -0.15 0.00 -1.93 0.00 0.00 57.85 55.48 1a6x n ARG 93 Cb 0.55 -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 -3.31 1.06 -0.08 0.55 -4.23 -1.26 -1.39 115.64 106.97 1a6x s THR 94 Ca -0.01 -1.69 0.25 0.00 -1.18 0.00 0.00 61.69 59.05 1a6x s THR 94 Cb 0.14 -1.44 0.27 0.00 1.34 0.00 0.00 72.50 72.81 1a6x s THR 94 CO 0.86 -0.54 1.74 1.55 -0.54 0.00 0.00 174.62 177.69 1a6x h PRO 95 N 3.49 0.00 -3.95 3.99 0.13 -1.87 -3.47 132.00 130.31 1a6x h PRO 95 Ca -0.38 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.64 1a6x h PRO 95 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 1a6x h PRO 95 CO 0.53 0.15 -0.29 -1.12 -0.23 0.00 0.00 178.00 177.04 1a6x s SER 96 N -6.12 -0.00 0.40 1.44 0.01 -1.26 -5.03 113.70 103.13 1a6x s SER 96 Ca 0.03 -1.05 0.21 0.00 1.31 0.00 0.00 55.95 56.46 1a6x s SER 96 Cb 0.08 0.50 0.61 0.00 0.21 0.00 0.00 66.02 67.42 1a6x s SER 96 CO 0.64 -1.01 1.69 1.55 0.41 0.00 0.00 173.24 176.52 1a6x h PRO 97 N 2.41 0.00 -0.54 12.44 0.13 -1.98 -3.10 132.00 141.36 1a6x h PRO 97 Ca -0.30 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.46 1a6x h PRO 97 Cb 1.25 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.11 1a6x h PRO 97 CO 0.42 0.28 -0.44 -3.47 -0.23 0.00 0.00 178.00 174.56 1a6x n ASP 98 N -3.30 4.04 -4.30 1.44 2.03 -1.26 -5.00 116.55 110.20 1a6x n ASP 98 Ca 0.01 -3.80 -0.25 0.00 0.52 0.00 0.00 54.79 51.27 1a6x n ASP 98 Cb 0.53 -0.50 -0.13 0.00 -0.72 0.00 0.00 41.12 40.30 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 -3.48 1.90 1.19 -1.67 0.00 -1.17 -5.13 121.76 113.39 1a6x s ALA 99 Ca 0.48 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 51.04 1a6x s ALA 99 Cb 0.41 -0.30 0.23 0.00 0.00 0.00 0.00 23.12 23.46 1a6x s ALA 99 CO 0.00 0.40 0.58 1.63 0.00 0.00 0.00 175.76 178.37 1a6x n LYS 100 N 1.25 -2.41 -3.20 0.00 5.02 -1.26 -4.74 118.16 112.82 1a6x n LYS 100 Ca -0.19 -0.68 -0.39 0.00 -2.02 0.00 0.00 58.31 55.03 1a6x n LYS 100 Cb 0.53 -1.94 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 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 -2.30 3.47 0.27 7.82 0.00 -1.26 -4.46 121.76 125.31 1a6x s ALA 101 Ca 0.63 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1a6x s ALA 101 Cb -0.19 -2.76 0.54 0.00 0.00 0.00 0.00 23.12 20.72 1a6x s ALA 101 CO 0.64 0.14 1.81 0.74 0.00 0.00 0.00 175.76 179.10 1a6x h PHE 102 N 5.75 1.01 -3.48 0.00 0.04 -1.56 -3.40 116.94 115.30 1a6x h PHE 102 Ca -0.45 0.03 -0.36 0.00 2.80 0.00 0.00 57.97 60.00 1a6x h PHE 102 Cb 1.20 -0.31 -0.34 0.00 2.20 0.00 0.00 35.95 38.70 1a6x h PHE 102 CO 0.65 0.35 -0.75 -1.50 -0.60 0.00 0.00 178.31 176.47 1a6x s ILE 103 N -5.96 0.24 -0.25 -0.55 2.07 -1.26 -4.87 121.20 110.61 1a6x s ILE 103 Ca -0.12 0.06 -0.07 0.00 -1.41 0.00 0.00 60.65 59.11 1a6x s ILE 103 Cb 0.22 -0.33 -0.02 0.00 0.13 0.00 0.00 42.46 42.46 1a6x s ILE 103 CO 0.80 0.16 0.06 -0.70 -1.91 0.00 0.00 174.94 173.35 1a6x s GLU 104 N 1.05 3.60 -0.49 3.50 2.12 -1.26 -5.02 118.70 122.19 1a6x s GLU 104 Ca -0.09 -0.51 -0.46 0.00 0.36 0.00 0.00 54.97 54.27 1a6x s GLU 104 Cb -0.14 -3.31 -0.19 0.00 0.26 0.00 0.00 34.13 30.75 1a6x s GLU 104 CO -0.02 -0.21 1.80 0.28 -0.54 0.00 0.00 175.26 176.57 1a6x n VAL 105 N 4.91 0.01 0.00 3.70 0.31 -1.26 -1.98 118.33 124.03 1a6x n VAL 105 Ca -0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 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 1.83 3.21 2.92 0.00 -1.26 -5.12 105.19 112.00 1a6x n GLY 106 Ca 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.28 0.97 0.50 1.61 -0.44 -0.84 -5.03 119.66 116.16 1a6x s GLN 107 Ca 0.00 -1.43 0.08 0.00 -2.50 0.00 0.00 55.36 51.51 1a6x s GLN 107 Cb 0.00 -0.27 0.03 0.00 -1.64 0.00 0.00 33.01 31.13 1a6x s GLN 107 CO 0.00 -0.06 0.55 0.15 0.50 0.00 0.00 175.29 176.43 1a6x s LYS 108 N -3.86 2.45 -0.15 1.67 1.02 -1.26 -2.55 119.74 117.06 1a6x s LYS 108 Ca 0.17 -1.63 -0.13 0.00 0.02 0.00 0.00 55.97 54.40 1a6x s LYS 108 Cb 0.05 -2.46 0.04 0.00 -0.52 0.00 0.00 37.83 34.94 1a6x s LYS 108 CO -0.01 -0.51 0.40 0.14 -0.92 0.00 0.00 175.35 174.45 1a6x s VAL 109 N -2.58 -0.00 0.08 3.17 -7.23 0.86 -4.97 120.40 109.72 1a6x s VAL 109 Ca 0.50 0.01 0.07 0.00 -1.81 0.00 0.00 61.98 60.75 1a6x s VAL 109 Cb -0.05 -0.56 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 1a6x s VAL 109 CO 0.31 0.00 -0.18 0.21 -0.31 0.00 0.00 175.10 175.13 1a6x s ASN 110 N 0.34 2.11 -0.54 4.85 3.84 -1.26 -0.45 114.94 123.83 1a6x s ASN 110 Ca -0.01 -0.62 -0.42 0.00 0.21 0.00 0.00 52.86 52.02 1a6x s ASN 110 Cb -0.03 -0.11 -0.19 0.00 -0.55 0.00 0.00 41.25 40.37 1a6x s ASN 110 CO -0.01 0.02 2.20 0.52 -2.79 0.00 0.00 177.10 177.04 1a6x n VAL 111 N 1.34 0.01 0.00 -5.21 0.31 -1.26 -0.68 118.33 112.83 1a6x n VAL 111 Ca -0.20 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1a6x n VAL 111 Cb 0.54 -0.55 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 7.36 0.70 3.58 2.92 0.00 -1.26 -5.08 105.19 113.41 1a6x n GLY 112 Ca 0.56 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.24 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 4.80 1.31 1.61 1.01 0.15 -4.96 116.67 119.88 1a6x s ASP 113 Ca 0.00 -0.01 -0.18 0.00 0.71 0.00 0.00 52.55 53.07 1a6x s ASP 113 Cb 0.00 -1.37 0.33 0.00 1.01 0.00 0.00 42.92 42.89 1a6x s ASP 113 CO 0.00 0.32 0.88 0.41 0.21 0.00 0.00 175.17 176.99 1a6x n THR 114 N 2.49 0.00 0.00 -1.27 -1.04 -1.26 -0.30 114.28 112.90 1a6x n THR 114 Ca -0.18 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 1a6x n THR 114 Cb 0.53 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 1a6x n THR 114 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1a6x n LEU 115 N -5.08 0.17 0.00 -4.42 7.94 0.72 -4.30 117.00 112.04 1a6x n LEU 115 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 1a6x n LEU 115 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.51 1a6x n LEU 115 CO 0.49 -0.24 0.00 0.00 -1.11 0.00 0.00 177.39 176.53 1a6x s ILE 117 N -2.27 0.30 -0.03 0.00 1.01 -0.19 -0.29 121.20 119.73 1a6x s ILE 117 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 60.65 59.46 1a6x s ILE 117 Cb 0.00 -0.70 0.01 0.00 0.01 0.00 0.00 42.46 41.78 1a6x s ILE 117 CO 0.00 -0.59 -0.04 -0.69 0.00 0.00 0.00 174.94 173.62 1a6x s VAL 118 N -2.06 0.43 -0.16 2.92 1.01 0.13 -0.14 120.40 122.54 1a6x s VAL 118 Ca -0.08 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 1a6x s VAL 118 Cb -0.06 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 1a6x s VAL 118 CO -0.02 0.18 0.33 -0.70 0.00 0.00 0.00 175.10 174.88 1a6x s GLU 119 N 0.58 4.27 0.08 2.72 2.12 -0.01 0.11 118.70 128.57 1a6x s GLU 119 Ca -0.07 0.16 -0.27 0.00 0.36 0.00 0.00 54.97 55.14 1a6x s GLU 119 Cb -0.10 -3.43 0.09 0.00 0.26 0.00 0.00 34.13 30.94 1a6x s GLU 119 CO -0.00 0.21 1.08 0.00 -0.54 0.00 0.00 175.26 176.01 1a6x s ALA 120 N 0.53 -1.88 -1.64 6.30 0.00 -0.55 -1.09 121.76 123.43 1a6x s ALA 120 Ca 0.18 0.42 -0.09 0.00 0.00 0.00 0.00 51.96 52.46 1a6x s ALA 120 Cb -0.13 0.51 0.09 0.00 0.00 0.00 0.00 23.12 23.58 1a6x s ALA 120 CO 0.05 -1.01 0.36 0.00 0.00 0.00 0.00 175.76 175.16 1a6x n MET 121 N -0.45 -1.65 -4.21 0.00 0.00 -1.26 0.27 117.12 109.81 1a6x n MET 121 Ca -0.07 0.20 -0.33 0.00 0.00 0.00 0.00 57.70 57.51 1a6x n MET 121 Cb 0.61 -4.30 -0.07 0.00 0.00 0.00 0.00 33.22 29.47 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 -1.19 -3.58 3.17 4.76 -1.26 -4.89 118.16 110.79 1a6x n LYS 122 Ca -0.14 0.14 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 1a6x n LYS 122 Cb 0.60 -3.56 -0.03 0.00 -1.84 0.00 0.00 35.03 30.20 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 -7.24 0.41 0.29 1.97 -1.94 0.14 -5.16 119.30 107.77 1a6x s MET 123 Ca 0.09 -0.10 -0.27 0.00 -1.71 0.00 0.00 55.69 53.71 1a6x s MET 123 Cb -0.05 0.19 -0.09 0.00 2.01 0.00 0.00 34.83 36.89 1a6x s MET 123 CO 0.98 -0.17 0.92 1.41 -0.01 0.00 0.00 175.02 178.15 1a6x s MET 124 N -2.23 4.63 -0.31 2.03 1.75 -1.26 -1.48 119.30 122.43 1a6x s MET 124 Ca 0.07 1.33 -0.02 0.00 -1.25 0.00 0.00 55.69 55.82 1a6x s MET 124 Cb -0.01 -2.95 0.11 0.00 2.84 0.00 0.00 34.83 34.81 1a6x s MET 124 CO -0.05 0.36 0.13 -0.80 -0.65 0.00 0.00 175.02 174.02 1a6x s ASN 125 N -1.48 3.61 0.64 1.11 0.01 0.12 -4.93 114.94 114.01 1a6x s ASN 125 Ca 0.47 -1.54 -0.16 0.00 -0.71 0.00 0.00 52.86 50.91 1a6x s ASN 125 Cb -0.21 -0.52 -0.01 0.00 0.41 0.00 0.00 41.25 40.92 1a6x s ASN 125 CO 0.26 -0.41 1.13 -1.10 -1.51 0.00 0.00 177.10 175.47 1a6x s GLN 126 N 1.78 2.85 -0.21 -0.60 -0.21 -1.26 0.21 119.66 122.23 1a6x s GLN 126 Ca 0.11 1.50 0.02 0.00 0.02 0.00 0.00 55.36 57.01 1a6x s GLN 126 Cb -0.17 -1.95 0.04 0.00 1.00 0.00 0.00 33.01 31.92 1a6x s GLN 126 CO -0.28 -1.23 -0.15 0.42 -2.12 0.00 0.00 175.29 171.93 1a6x s ILE 127 N -2.13 2.03 0.12 1.08 1.01 0.60 -4.83 121.20 119.08 1a6x s ILE 127 Ca 0.70 -1.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 1a6x s ILE 127 Cb -0.23 -1.98 -0.06 0.00 0.01 0.00 0.00 42.46 40.20 1a6x s ILE 127 CO 0.38 0.29 0.45 -0.70 0.00 0.00 0.00 174.94 175.36 1a6x s GLU 128 N 1.24 3.79 0.16 2.79 2.12 -1.26 -0.20 118.70 127.34 1a6x s GLU 128 Ca -0.01 0.22 -0.34 0.00 0.36 0.00 0.00 54.97 55.20 1a6x s GLU 128 Cb -0.16 -2.92 -0.15 0.00 0.26 0.00 0.00 34.13 31.16 1a6x s GLU 128 CO -0.09 0.50 1.27 0.00 -0.54 0.00 0.00 175.26 176.39 1a6x n ALA 129 N 0.64 -0.41 -0.82 6.30 0.00 0.59 -4.80 120.51 122.00 1a6x n ALA 129 Ca -0.06 0.47 0.04 0.00 0.00 0.00 0.00 53.44 53.90 1a6x n ALA 129 Cb 0.52 -2.10 0.06 0.00 0.00 0.00 0.00 19.45 17.94 1a6x n ALA 129 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a6x n ASP 130 N 2.25 1.72 -2.75 0.00 3.85 -1.26 -4.42 116.55 115.94 1a6x n ASP 130 Ca 0.15 -2.40 -0.01 0.00 -0.71 0.00 0.00 54.79 51.82 1a6x n ASP 130 Cb 0.25 -0.22 0.02 0.00 -1.35 0.00 0.00 41.12 39.82 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1a6x s LYS 131 N -1.63 0.33 0.05 0.11 1.02 -1.26 -5.08 119.74 113.28 1a6x s LYS 131 Ca 0.14 -0.25 -0.36 0.00 0.02 0.00 0.00 55.97 55.53 1a6x s LYS 131 Cb 0.13 0.00 -0.19 0.00 -0.52 0.00 0.00 37.83 37.26 1a6x s LYS 131 CO 0.01 -0.44 0.89 -1.13 -0.92 0.00 0.00 175.35 173.77 1a6x n SER 132 N 3.14 -0.32 -1.94 2.83 3.41 -1.26 -4.88 113.62 114.61 1a6x n SER 132 Ca 0.10 1.11 0.01 0.00 -0.26 0.00 0.00 58.87 59.83 1a6x n SER 132 Cb 0.63 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 1.57 0.31 3.84 5.00 0.00 0.40 -4.97 105.19 111.34 1a6x n GLY 133 Ca 0.19 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.01 2.46 0.49 2.61 2.01 -1.26 -0.10 115.64 119.84 1a6x s THR 134 Ca 0.10 -1.45 -0.23 0.00 0.31 0.00 0.00 61.69 60.42 1a6x s THR 134 Cb -0.00 -2.91 -0.07 0.00 0.01 0.00 0.00 72.50 69.53 1a6x s THR 134 CO -0.01 0.00 1.28 0.54 -0.69 0.00 0.00 174.62 175.74 1a6x s VAL 135 N -2.54 2.54 0.00 3.82 0.11 -1.06 0.66 120.40 123.94 1a6x s VAL 135 Ca 0.45 0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.92 1a6x s VAL 135 Cb -0.01 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 1a6x s VAL 135 CO 0.26 0.01 0.00 1.17 -3.33 0.00 0.00 175.10 173.21 1a6x n LYS 136 N -0.59 0.00 0.00 1.54 0.00 0.10 -4.39 118.16 114.82 1a6x n LYS 136 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1a6x n LYS 136 Cb 0.46 -0.54 0.00 0.00 0.00 0.00 0.00 35.03 34.95 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 -2.79 3.14 0.00 0.29 -4.94 120.51 113.51 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 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.75 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 5.09 -0.21 0.00 1.01 -1.26 0.18 121.20 125.71 1a6x s ILE 138 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 1a6x s ILE 138 Cb 0.00 -3.27 -0.11 0.00 0.01 0.00 0.00 42.46 39.08 1a6x s ILE 138 CO 0.00 0.50 -0.22 0.18 0.00 0.00 0.00 174.94 175.40 1a6x n LEU 139 N 3.06 2.28 -4.78 2.97 4.77 -0.44 -4.97 117.00 119.89 1a6x n LEU 139 Ca -0.17 0.07 -0.39 0.00 -0.03 0.00 0.00 56.01 55.49 1a6x n LEU 139 Cb 0.53 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 1a6x n LEU 139 CO 0.34 0.65 0.54 0.54 -1.33 0.00 0.00 177.39 178.14 1a6x s VAL 140 N -2.40 4.30 0.55 4.08 0.11 -0.87 -5.07 120.40 121.10 1a6x s VAL 140 Ca -0.28 1.76 0.08 0.00 -2.93 0.00 0.00 61.98 60.61 1a6x s VAL 140 Cb 0.09 -4.12 0.08 0.00 -1.53 0.00 0.00 36.38 30.90 1a6x s VAL 140 CO 0.42 0.41 0.70 1.21 -3.33 0.00 0.00 175.10 174.50 1a6x n GLU 141 N 1.26 0.64 -2.43 1.54 2.13 -1.26 -4.93 120.64 117.58 1a6x n GLU 141 Ca -0.03 -3.04 -0.40 0.00 0.66 0.00 0.00 57.16 54.35 1a6x n GLU 141 Cb 0.49 -0.12 -0.03 0.00 0.27 0.00 0.00 31.44 32.04 1a6x n GLU 141 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1a6x s SER 142 N -4.37 5.97 0.00 4.31 0.01 -1.26 -2.73 113.70 115.63 1a6x s SER 142 Ca 0.53 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1a6x s SER 142 Cb -0.04 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1a6x s SER 142 CO 0.34 -1.95 0.00 0.61 0.41 0.00 0.00 173.24 172.64 1a6x n GLY 143 N 5.59 0.61 3.55 3.44 0.00 0.11 -4.91 105.19 113.58 1a6x n GLY 143 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 0.68 -1.52 1.61 6.02 -1.10 -4.45 117.38 118.61 1a6x n GLN 144 Ca 0.00 0.27 -0.30 0.00 -0.01 0.00 0.00 57.00 56.96 1a6x n GLN 144 Cb 0.00 -1.96 0.18 0.00 1.02 0.00 0.00 30.24 29.49 1a6x n GLN 144 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1a6x s PRO 145 N -2.50 0.23 0.06 -1.09 0.04 -1.26 -0.43 135.00 130.05 1a6x s PRO 145 Ca 0.73 -0.06 -0.11 0.00 0.04 0.00 0.00 61.00 61.60 1a6x s PRO 145 Cb -0.42 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1a6x s PRO 145 CO 0.50 -2.75 0.25 0.14 0.04 0.00 0.00 177.00 175.18 1a6x s VAL 146 N -3.40 0.10 0.26 -0.36 -7.23 0.14 -4.55 120.40 105.37 1a6x s VAL 146 Ca 0.69 -0.86 0.01 0.00 -1.81 0.00 0.00 61.98 60.02 1a6x s VAL 146 Cb -0.09 -1.05 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 1a6x s VAL 146 CO 0.54 -0.47 0.11 -0.70 -0.31 0.00 0.00 175.10 174.26 1a6x s GLU 147 N -2.98 1.41 0.33 4.82 2.12 -1.26 -1.39 118.70 121.75 1a6x s GLU 147 Ca -0.02 -1.77 -0.29 0.00 0.36 0.00 0.00 54.97 53.25 1a6x s GLU 147 Cb 0.01 -0.21 -0.11 0.00 0.26 0.00 0.00 34.13 34.08 1a6x s GLU 147 CO -0.06 -0.32 1.55 0.34 -0.54 0.00 0.00 175.26 176.23 1a6x n PHE 148 N -0.46 2.91 -1.41 5.30 7.35 -1.26 -0.83 117.46 129.05 1a6x n PHE 148 Ca 0.00 0.34 -0.15 0.00 -0.76 0.00 0.00 57.45 56.88 1a6x n PHE 148 Cb 0.66 -2.57 -0.06 0.00 0.35 0.00 0.00 39.48 37.86 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 1.40 -4.25 -4.73 -2.13 5.68 -0.79 -4.90 116.55 106.83 1a6x n ASP 149 Ca 0.05 0.37 -0.41 0.00 -0.50 0.00 0.00 54.79 54.30 1a6x n ASP 149 Cb 0.38 -3.77 -0.05 0.00 -1.14 0.00 0.00 41.12 36.54 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 -3.23 4.68 -0.10 0.11 2.56 -0.01 -4.79 118.70 117.92 1a6x s GLU 150 Ca 0.00 1.40 -0.30 0.00 0.00 0.00 0.00 54.97 56.07 1a6x s GLU 150 Cb 0.00 -3.37 -0.03 0.00 2.00 0.00 0.00 34.13 32.74 1a6x s GLU 150 CO 0.00 0.25 1.24 -1.25 -0.56 0.00 0.00 175.26 174.95 1a6x s PRO 151 N -0.13 4.29 0.00 4.30 0.04 -1.26 0.25 135.00 142.50 1a6x s PRO 151 Ca 0.45 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1a6x s PRO 151 Cb -0.23 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1a6x s PRO 151 CO 0.29 -0.57 0.00 1.28 0.04 0.00 0.00 177.00 178.04 1a6x n LEU 152 N 5.85 0.04 -4.20 -3.56 4.77 0.12 -4.55 117.00 115.47 1a6x n LEU 152 Ca 0.12 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.84 1a6x n LEU 152 Cb 0.45 -0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 41.24 1a6x n LEU 152 CO 0.56 -0.14 -0.52 -0.69 -1.33 0.00 0.00 177.39 175.26 1a6x s VAL 153 N -0.29 1.55 -0.22 4.08 1.01 -1.25 -1.33 120.40 123.96 1a6x s VAL 153 Ca 0.00 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 1a6x s VAL 153 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1a6x s VAL 153 CO 0.00 0.44 0.31 -0.69 0.00 0.00 0.00 175.10 175.16 1a6x s VAL 154 N -0.45 5.26 0.28 2.92 1.01 0.49 -0.50 120.40 129.40 1a6x s VAL 154 Ca 0.07 0.52 0.09 0.00 0.00 0.00 0.00 61.98 62.67 1a6x s VAL 154 Cb -0.08 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1a6x s VAL 154 CO -0.01 0.28 0.01 -0.63 0.00 0.00 0.00 175.10 174.76 1a6x s ILE 155 N 1.22 3.36 -2.96 2.22 1.09 0.10 0.02 121.20 126.26 1a6x s ILE 155 Ca 0.15 -1.90 0.24 0.00 -1.10 0.00 0.00 60.65 58.05 1a6x s ILE 155 Cb -0.14 -2.86 0.22 0.00 -1.06 0.00 0.00 42.46 38.62 1a6x s ILE 155 CO 0.07 -0.35 1.30 1.21 -0.10 0.00 0.00 174.94 177.07