#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 -0.37 3.17 4.07 -1.26 -4.91 120.64 121.34 1a6x n GLU 71 Ca 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 1a6x n GLU 71 Cb 0.00 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.41 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1a6x h ALA 72 N 0.00 0.09 0.00 4.31 0.00 -2.11 0.28 119.26 121.83 1a6x h ALA 72 Ca 0.00 0.26 -0.38 0.00 0.00 0.00 0.00 54.91 54.78 1a6x h ALA 72 Cb 0.00 1.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1a6x h ALA 72 CO 0.00 -0.65 2.03 -0.35 0.00 0.00 0.00 179.25 180.28 1a6x n PRO 73 N -5.45 2.36 -2.98 0.00 -0.04 -1.26 -4.37 135.00 123.25 1a6x n PRO 73 Ca 0.09 -1.43 0.03 0.00 -0.04 0.00 0.00 63.50 62.15 1a6x n PRO 73 Cb 0.39 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1a6x n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a6x s ALA 74 N 2.40 -4.01 0.06 0.55 0.00 0.09 -5.06 121.76 115.79 1a6x s ALA 74 Ca 0.52 1.22 -0.33 0.00 0.00 0.00 0.00 51.96 53.37 1a6x s ALA 74 Cb 0.17 -2.90 -0.17 0.00 0.00 0.00 0.00 23.12 20.22 1a6x s ALA 74 CO -0.03 -2.27 1.50 0.00 0.00 0.00 0.00 175.76 174.96 1a6x h ALA 75 N 6.44 -1.22 0.00 0.00 0.00 -1.80 -3.45 119.26 119.23 1a6x h ALA 75 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1a6x h ALA 75 Cb 1.20 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1a6x h ALA 75 CO -0.06 -1.19 0.00 0.00 0.00 0.00 0.00 179.25 178.00 1a6x n ALA 76 N -2.68 0.00 -1.50 0.00 0.00 -1.26 -4.88 120.51 110.19 1a6x n ALA 76 Ca -0.13 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.44 1a6x n ALA 76 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 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 0.00 -3.56 -4.19 0.00 2.13 -1.26 -5.01 120.64 108.74 1a6x n GLU 77 Ca 0.00 2.87 -0.12 0.00 0.66 0.00 0.00 57.16 60.58 1a6x n GLU 77 Cb 0.00 -3.96 -0.10 0.00 0.27 0.00 0.00 31.44 27.65 1a6x n GLU 77 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1a6x s ILE 78 N -4.66 0.76 -0.12 6.31 -5.25 -1.26 -5.15 121.20 111.84 1a6x s ILE 78 Ca 0.00 -1.96 -0.03 0.00 -0.99 0.00 0.00 60.65 57.67 1a6x s ILE 78 Cb 0.00 -1.77 0.05 0.00 2.95 0.00 0.00 42.46 43.68 1a6x s ILE 78 CO 0.00 -0.79 0.06 -0.44 -1.79 0.00 0.00 174.94 171.97 1a6x s SER 79 N -3.08 1.92 1.04 4.36 0.01 -1.26 -5.14 113.70 111.55 1a6x s SER 79 Ca 0.14 -0.34 -0.24 0.00 1.31 0.00 0.00 55.95 56.83 1a6x s SER 79 Cb 0.05 -0.29 -0.09 0.00 0.21 0.00 0.00 66.02 65.90 1a6x s SER 79 CO -0.03 -0.29 -0.97 0.61 0.41 0.00 0.00 173.24 172.98 1a6x n GLY 80 N 5.23 -2.88 3.65 3.44 0.00 -1.24 -4.97 105.19 108.42 1a6x n GLY 80 Ca -0.06 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 1a6x n GLY 80 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1a6x s HIS 81 N -2.09 2.45 -0.09 1.61 -3.43 0.14 -4.91 115.29 108.98 1a6x s HIS 81 Ca 0.43 -0.70 -0.02 0.00 -0.80 0.00 0.00 55.06 53.98 1a6x s HIS 81 Cb 0.02 -1.78 0.04 0.00 -1.43 0.00 0.00 32.58 29.42 1a6x s HIS 81 CO 0.67 0.39 0.03 0.42 -2.00 0.00 0.00 174.74 174.25 1a6x s ILE 82 N -2.72 0.18 -0.18 -5.38 1.01 -1.26 -0.09 121.20 112.76 1a6x s ILE 82 Ca 0.32 0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.80 1a6x s ILE 82 Cb 0.08 -0.46 -0.00 0.00 0.01 0.00 0.00 42.46 42.08 1a6x s ILE 82 CO 0.17 0.12 1.11 -0.69 0.00 0.00 0.00 174.94 175.65 1a6x s VAL 83 N 2.04 4.55 -0.23 2.92 1.01 -0.20 -4.93 120.40 125.57 1a6x s VAL 83 Ca 0.04 1.87 -0.05 0.00 0.00 0.00 0.00 61.98 63.83 1a6x s VAL 83 Cb -0.13 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1a6x s VAL 83 CO -0.05 -0.13 0.01 -0.13 0.00 0.00 0.00 175.10 174.80 1a6x s ARG 84 N 3.04 3.52 -0.68 2.72 0.52 -1.26 0.19 118.95 127.00 1a6x s ARG 84 Ca 0.48 -0.55 -0.33 0.00 -0.52 0.00 0.00 55.73 54.81 1a6x s ARG 84 Cb -0.18 -3.16 -0.17 0.00 0.52 0.00 0.00 34.95 31.97 1a6x s ARG 84 CO 0.11 -0.18 2.44 0.45 0.02 0.00 0.00 175.30 178.14 1a6x n SER 85 N 4.81 1.12 0.00 0.23 2.88 0.14 -4.72 113.62 118.08 1a6x n SER 85 Ca -0.17 0.20 0.11 0.00 -1.33 0.00 0.00 58.87 57.68 1a6x n SER 85 Cb 0.51 -1.11 0.66 0.00 -0.75 0.00 0.00 64.21 63.53 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 8.34 0.75 -3.68 -1.46 -0.04 -1.26 -2.85 135.00 134.79 1a6x n PRO 86 Ca 0.54 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.86 1a6x n PRO 86 Cb 0.15 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.06 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 0.67 0.22 0.54 -1.94 -1.26 -4.97 119.30 110.57 1a6x s MET 87 Ca 0.34 0.61 -0.30 0.00 -1.71 0.00 0.00 55.69 54.62 1a6x s MET 87 Cb 0.15 0.32 -0.09 0.00 2.01 0.00 0.00 34.83 37.23 1a6x s MET 87 CO 0.26 -0.11 0.98 0.08 -0.01 0.00 0.00 175.02 176.21 1a6x s VAL 88 N -0.02 4.03 0.00 -6.03 1.01 -1.26 -4.50 120.40 113.63 1a6x s VAL 88 Ca -0.02 1.97 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1a6x s VAL 88 Cb -0.03 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1a6x s VAL 88 CO 0.02 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1a6x n GLY 89 N 1.59 -0.57 3.45 4.51 0.00 -0.52 -4.75 105.19 108.90 1a6x n GLY 89 Ca -0.01 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.02 2.61 2.01 -0.32 -0.19 115.64 121.09 1a6x s THR 90 Ca 0.00 -2.03 -0.00 0.00 0.31 0.00 0.00 61.69 59.96 1a6x s THR 90 Cb 0.00 -2.69 0.03 0.00 0.01 0.00 0.00 72.50 69.85 1a6x s THR 90 CO 0.00 -0.10 0.04 0.12 -0.69 0.00 0.00 174.62 173.99 1a6x s PHE 91 N -3.19 0.01 0.29 4.92 2.19 -0.01 -0.41 117.98 121.80 1a6x s PHE 91 Ca 0.34 0.17 0.08 0.00 0.33 0.00 0.00 56.93 57.85 1a6x s PHE 91 Cb 0.07 -0.23 -0.06 0.00 -1.31 0.00 0.00 43.02 41.49 1a6x s PHE 91 CO 0.14 -0.10 -0.10 0.71 1.83 0.00 0.00 175.22 177.70 1a6x s TYR 92 N 1.13 2.13 -0.26 10.12 2.02 0.81 -0.30 117.35 133.00 1a6x s TYR 92 Ca -0.08 -0.57 0.09 0.00 -0.37 0.00 0.00 57.07 56.13 1a6x s TYR 92 Cb -0.13 -1.16 -0.11 0.00 -0.40 0.00 0.00 41.96 40.16 1a6x s TYR 92 CO -0.03 0.45 0.31 0.54 -1.57 0.00 0.00 175.55 175.25 1a6x n ARG 93 N -0.64 2.65 -4.10 -0.62 1.74 -1.26 -1.38 116.66 113.04 1a6x n ARG 93 Ca -0.05 -0.03 -0.11 0.00 -0.77 0.00 0.00 57.85 56.89 1a6x n ARG 93 Cb 0.63 -1.03 -0.11 0.00 -1.02 0.00 0.00 32.46 30.93 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 -2.13 0.51 0.11 0.55 -4.23 -1.26 -1.37 115.64 107.82 1a6x s THR 94 Ca 0.01 -1.50 0.15 0.00 -1.18 0.00 0.00 61.69 59.16 1a6x s THR 94 Cb 0.06 -1.12 0.04 0.00 1.34 0.00 0.00 72.50 72.82 1a6x s THR 94 CO 0.37 -0.68 1.58 1.55 -0.54 0.00 0.00 174.62 176.90 1a6x h PRO 95 N 3.72 0.00 -4.34 3.99 0.13 -1.89 -3.47 132.00 130.13 1a6x h PRO 95 Ca -0.35 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.45 1a6x h PRO 95 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 1a6x h PRO 95 CO 0.54 0.54 -0.28 0.45 -0.23 0.00 0.00 178.00 179.02 1a6x s SER 96 N -6.56 1.13 0.09 1.44 0.15 -1.26 -5.04 113.70 103.64 1a6x s SER 96 Ca 0.01 -1.57 -0.13 0.00 0.70 0.00 0.00 55.95 54.96 1a6x s SER 96 Cb 0.10 0.63 -0.20 0.00 -1.71 0.00 0.00 66.02 64.85 1a6x s SER 96 CO 0.73 -1.23 1.24 1.55 1.20 0.00 0.00 173.24 176.73 1a6x h PRO 97 N 2.12 0.73 -1.20 5.44 0.13 -1.98 -3.25 132.00 133.99 1a6x h PRO 97 Ca -0.27 -0.71 -0.66 0.00 -0.87 0.00 0.00 66.00 63.49 1a6x h PRO 97 Cb 1.24 0.18 -0.33 0.00 0.13 0.00 0.00 31.00 32.22 1a6x h PRO 97 CO 0.38 1.29 0.35 -3.47 -0.23 0.00 0.00 178.00 176.33 1a6x n ASP 98 N -3.88 6.71 -4.38 1.44 -0.08 -1.26 -4.97 116.55 110.14 1a6x n ASP 98 Ca -0.10 -3.78 -0.23 0.00 -1.51 0.00 0.00 54.79 49.17 1a6x n ASP 98 Cb 0.83 -0.79 -0.11 0.00 2.34 0.00 0.00 41.12 43.39 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 -3.80 2.25 1.19 -1.67 0.00 -1.23 -5.13 121.76 113.38 1a6x s ALA 99 Ca 0.57 -1.60 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 1a6x s ALA 99 Cb 0.46 -0.22 0.30 0.00 0.00 0.00 0.00 23.12 23.66 1a6x s ALA 99 CO -0.10 0.28 1.02 0.15 0.00 0.00 0.00 175.76 177.10 1a6x s LYS 100 N -2.95 -1.15 -0.15 0.00 1.02 -1.26 -4.81 119.74 110.44 1a6x s LYS 100 Ca 0.20 0.79 -0.11 0.00 0.02 0.00 0.00 55.97 56.88 1a6x s LYS 100 Cb -0.06 -1.53 -0.05 0.00 -0.52 0.00 0.00 37.83 35.68 1a6x s LYS 100 CO 0.09 -3.87 0.20 0.00 -0.92 0.00 0.00 175.35 170.85 1a6x s ALA 101 N -2.43 3.71 0.32 5.17 0.00 -1.26 -4.39 121.76 122.88 1a6x s ALA 101 Ca 0.69 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.07 1a6x s ALA 101 Cb -0.25 -2.20 0.52 0.00 0.00 0.00 0.00 23.12 21.18 1a6x s ALA 101 CO 0.65 0.27 1.99 0.74 0.00 0.00 0.00 175.76 179.41 1a6x h PHE 102 N 6.11 0.94 -2.85 0.00 0.04 -1.53 -3.35 116.94 116.29 1a6x h PHE 102 Ca -0.45 0.02 -0.58 0.00 2.80 0.00 0.00 57.97 59.76 1a6x h PHE 102 Cb 1.18 -0.32 -0.40 0.00 2.20 0.00 0.00 35.95 38.61 1a6x h PHE 102 CO 0.64 0.59 -0.79 -1.50 -0.60 0.00 0.00 178.31 176.66 1a6x s ILE 103 N -5.85 0.53 -0.41 -0.55 -1.16 -1.26 -4.70 121.20 107.81 1a6x s ILE 103 Ca -0.11 -1.59 -0.26 0.00 -0.51 0.00 0.00 60.65 58.18 1a6x s ILE 103 Cb 0.18 -1.40 0.02 0.00 0.61 0.00 0.00 42.46 41.87 1a6x s ILE 103 CO 0.78 -0.83 0.97 -1.61 -2.81 0.00 0.00 174.94 171.44 1a6x s GLU 104 N 1.29 3.75 -0.49 3.50 0.41 -1.26 -4.94 118.70 120.97 1a6x s GLU 104 Ca 0.14 0.50 -0.46 0.00 -0.41 0.00 0.00 54.97 54.74 1a6x s GLU 104 Cb -0.20 -3.85 -0.19 0.00 -1.78 0.00 0.00 34.13 28.10 1a6x s GLU 104 CO -0.14 -1.10 1.77 0.28 -0.49 0.00 0.00 175.26 175.58 1a6x n VAL 105 N 6.24 0.02 0.00 2.63 0.31 -1.26 -0.94 118.33 125.33 1a6x n VAL 105 Ca 0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 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 5.06 1.34 3.57 2.92 0.00 -1.26 -5.11 105.19 111.71 1a6x n GLY 106 Ca 0.38 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.17 1.86 0.29 1.61 0.74 -0.12 -5.02 119.66 118.84 1a6x s GLN 107 Ca 0.00 -2.00 0.09 0.00 0.05 0.00 0.00 55.36 53.50 1a6x s GLN 107 Cb 0.00 -1.65 -0.04 0.00 1.10 0.00 0.00 33.01 32.42 1a6x s GLN 107 CO 0.00 0.06 0.08 0.21 -0.55 0.00 0.00 175.29 175.09 1a6x s LYS 108 N -3.66 2.45 0.00 1.67 2.20 -1.26 -3.16 119.74 117.98 1a6x s LYS 108 Ca 0.33 -1.38 -0.02 0.00 -0.36 0.00 0.00 55.97 54.54 1a6x s LYS 108 Cb 0.05 -2.25 -0.01 0.00 -1.51 0.00 0.00 37.83 34.12 1a6x s LYS 108 CO 0.17 0.29 0.04 0.14 -0.36 0.00 0.00 175.35 175.63 1a6x s VAL 109 N -2.32 0.06 0.05 4.02 -7.23 -0.14 -5.01 120.40 109.83 1a6x s VAL 109 Ca 0.34 -0.52 0.06 0.00 -1.81 0.00 0.00 61.98 60.05 1a6x s VAL 109 Cb -0.06 -0.24 -0.02 0.00 0.56 0.00 0.00 36.38 36.62 1a6x s VAL 109 CO 0.22 -0.29 -0.17 0.54 -0.31 0.00 0.00 175.10 175.09 1a6x s ASN 110 N -0.88 2.06 -0.51 4.85 2.20 -1.26 -0.90 114.94 120.48 1a6x s ASN 110 Ca -0.10 -0.52 -0.43 0.00 -0.94 0.00 0.00 52.86 50.88 1a6x s ASN 110 Cb -0.06 -0.14 -0.19 0.00 -2.00 0.00 0.00 41.25 38.86 1a6x s ASN 110 CO -0.00 0.08 2.17 0.55 -2.94 0.00 0.00 177.10 176.95 1a6x n VAL 111 N 1.75 0.01 0.00 3.54 3.14 -1.26 0.21 118.33 125.72 1a6x n VAL 111 Ca -0.18 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 1a6x n VAL 111 Cb 0.54 -0.55 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 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 7.42 1.19 3.85 7.55 0.00 -1.26 -5.01 105.19 118.92 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 -1.31 6.43 1.12 1.61 1.11 0.13 -4.90 116.67 120.86 1a6x s ASP 113 Ca 0.00 0.51 -0.17 0.00 0.18 0.00 0.00 52.55 53.07 1a6x s ASP 113 Cb 0.00 -2.10 0.17 0.00 1.07 0.00 0.00 42.92 42.06 1a6x s ASP 113 CO 0.00 0.36 0.24 0.41 1.18 0.00 0.00 175.17 177.36 1a6x n THR 114 N 2.19 0.00 0.00 -1.27 -1.04 -1.26 -1.29 114.28 111.61 1a6x n THR 114 Ca -0.18 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 1a6x n THR 114 Cb 0.54 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 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 -2.08 0.08 0.00 -4.42 7.94 0.17 -4.35 117.00 114.34 1a6x n LEU 115 Ca 0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 1a6x n LEU 115 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1a6x n LEU 115 CO 0.40 -0.27 0.00 0.00 -1.11 0.00 0.00 177.39 176.42 1a6x s ILE 117 N -2.17 0.71 -0.05 0.00 1.01 -0.48 0.25 121.20 120.47 1a6x s ILE 117 Ca 0.00 -1.54 -0.02 0.00 0.00 0.00 0.00 60.65 59.09 1a6x s ILE 117 Cb 0.00 -1.21 0.03 0.00 0.01 0.00 0.00 42.46 41.30 1a6x s ILE 117 CO 0.00 -0.60 0.09 -0.69 0.00 0.00 0.00 174.94 173.73 1a6x s VAL 118 N -2.47 -0.10 -0.11 2.92 1.01 0.14 -0.14 120.40 121.65 1a6x s VAL 118 Ca 0.02 0.27 -0.25 0.00 0.00 0.00 0.00 61.98 62.02 1a6x s VAL 118 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 1a6x s VAL 118 CO -0.02 0.11 0.78 -0.70 0.00 0.00 0.00 175.10 175.28 1a6x s GLU 119 N 1.49 4.38 0.11 2.72 2.12 0.45 0.07 118.70 130.04 1a6x s GLU 119 Ca -0.05 0.98 -0.25 0.00 0.36 0.00 0.00 54.97 56.01 1a6x s GLU 119 Cb -0.12 -3.51 0.07 0.00 0.26 0.00 0.00 34.13 30.83 1a6x s GLU 119 CO -0.04 -0.13 0.62 0.00 -0.54 0.00 0.00 175.26 175.17 1a6x s ALA 120 N 1.46 -1.64 -1.68 6.30 0.00 -0.39 -1.17 121.76 124.64 1a6x s ALA 120 Ca 0.39 0.69 -0.17 0.00 0.00 0.00 0.00 51.96 52.87 1a6x s ALA 120 Cb -0.17 0.67 0.14 0.00 0.00 0.00 0.00 23.12 23.76 1a6x s ALA 120 CO 0.16 -0.67 0.75 -1.33 0.00 0.00 0.00 175.76 174.67 1a6x n MET 121 N -0.06 -3.14 -3.99 0.00 2.81 -1.26 0.22 117.12 111.70 1a6x n MET 121 Ca -0.17 0.37 -0.28 0.00 -1.81 0.00 0.00 57.70 55.81 1a6x n MET 121 Cb 0.63 -5.03 -0.02 0.00 -0.71 0.00 0.00 33.22 28.10 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 -4.39 -3.53 -3.60 0.03 2.85 -1.26 -4.93 118.16 103.32 1a6x n LYS 122 Ca 0.04 0.42 -0.12 0.00 -1.05 0.00 0.00 58.31 57.61 1a6x n LYS 122 Cb 0.51 -4.76 -0.06 0.00 -0.65 0.00 0.00 35.03 30.07 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1a6x s MET 123 N -6.61 0.66 0.17 -1.58 -1.94 0.13 -5.15 119.30 104.99 1a6x s MET 123 Ca 0.21 0.45 -0.30 0.00 -1.71 0.00 0.00 55.69 54.33 1a6x s MET 123 Cb -0.11 0.31 -0.08 0.00 2.01 0.00 0.00 34.83 36.96 1a6x s MET 123 CO 0.89 -0.15 1.25 0.00 -0.01 0.00 0.00 175.02 177.01 1a6x s MET 124 N -0.40 4.43 -0.29 2.03 0.23 -1.26 -1.26 119.30 122.77 1a6x s MET 124 Ca -0.01 1.95 0.00 0.00 -1.03 0.00 0.00 55.69 56.60 1a6x s MET 124 Cb -0.03 -3.23 0.09 0.00 -1.53 0.00 0.00 34.83 30.13 1a6x s MET 124 CO -0.00 -0.19 0.06 -0.80 -2.03 0.00 0.00 175.02 172.05 1a6x s ASN 125 N 0.37 4.07 0.84 -1.18 0.01 0.11 -4.93 114.94 114.23 1a6x s ASN 125 Ca 0.56 -1.61 -0.11 0.00 -0.71 0.00 0.00 52.86 50.99 1a6x s ASN 125 Cb -0.34 -1.07 0.10 0.00 0.41 0.00 0.00 41.25 40.35 1a6x s ASN 125 CO 0.36 -0.37 1.14 -1.10 -1.51 0.00 0.00 177.10 175.62 1a6x s GLN 126 N 1.44 1.62 -0.18 -0.60 -0.21 -1.26 0.23 119.66 120.70 1a6x s GLN 126 Ca 0.06 1.45 0.00 0.00 0.02 0.00 0.00 55.36 56.89 1a6x s GLN 126 Cb -0.18 -1.80 0.04 0.00 1.00 0.00 0.00 33.01 32.07 1a6x s GLN 126 CO -0.17 -2.17 -0.09 0.42 -2.12 0.00 0.00 175.29 171.17 1a6x s ILE 127 N -2.64 1.45 0.17 1.08 -1.09 0.14 -4.78 121.20 115.52 1a6x s ILE 127 Ca 0.66 -0.81 -0.06 0.00 -2.23 0.00 0.00 60.65 58.21 1a6x s ILE 127 Cb -0.22 -1.52 -0.06 0.00 -1.58 0.00 0.00 42.46 39.08 1a6x s ILE 127 CO 0.55 0.21 0.43 -0.70 -1.23 0.00 0.00 174.94 174.20 1a6x s GLU 128 N 1.49 3.68 0.94 2.79 2.12 -1.26 0.42 118.70 128.89 1a6x s GLU 128 Ca 0.01 0.04 -0.12 0.00 0.36 0.00 0.00 54.97 55.26 1a6x s GLU 128 Cb -0.15 -2.79 0.16 0.00 0.26 0.00 0.00 34.13 31.61 1a6x s GLU 128 CO -0.08 0.42 1.09 0.00 -0.54 0.00 0.00 175.26 176.14 1a6x s ALA 129 N -1.70 1.21 0.00 6.30 0.00 -0.41 -4.80 121.76 122.35 1a6x s ALA 129 Ca 0.43 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1a6x s ALA 129 Cb -0.12 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1a6x s ALA 129 CO 0.23 -2.65 0.80 -3.47 0.00 0.00 0.00 175.76 170.67 1a6x n ASP 130 N -4.10 0.00 0.00 0.00 2.03 -1.26 -4.35 116.55 108.87 1a6x n ASP 130 Ca 0.07 -1.63 0.00 0.00 0.52 0.00 0.00 54.79 53.75 1a6x n ASP 130 Cb 0.55 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 1a6x n ASP 130 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1a6x n LYS 131 N 0.00 0.00 -1.26 -0.67 4.81 -1.26 -5.01 118.16 114.78 1a6x n LYS 131 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 1a6x n LYS 131 Cb 0.63 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.67 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 -2.80 0.00 3.14 3.41 -1.26 -4.85 113.62 111.26 1a6x n SER 132 Ca 0.00 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 1a6x n SER 132 Cb 0.00 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 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 2.27 -1.37 3.38 5.00 0.00 -0.08 -4.96 105.19 109.43 1a6x n GLY 133 Ca 0.11 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.65 2.13 0.96 2.61 2.01 -1.26 -0.97 115.64 118.46 1a6x s THR 134 Ca 0.00 -1.97 -0.15 0.00 0.31 0.00 0.00 61.69 59.88 1a6x s THR 134 Cb 0.00 -1.99 -0.08 0.00 0.01 0.00 0.00 72.50 70.44 1a6x s THR 134 CO 0.00 -0.19 -0.28 0.55 -0.69 0.00 0.00 174.62 174.00 1a6x n VAL 135 N 0.30 0.06 0.00 3.82 3.14 -1.19 0.19 118.33 124.65 1a6x n VAL 135 Ca -0.13 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1a6x n VAL 135 Cb 0.56 -0.26 0.00 0.00 -1.06 0.00 0.00 33.84 33.08 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 0.77 0.00 0.00 1.45 4.81 -0.36 -3.93 118.16 120.90 1a6x n LYS 136 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1a6x n LYS 136 Cb 0.55 -0.05 0.00 0.00 0.02 0.00 0.00 35.03 35.55 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 -2.83 3.14 0.00 -0.06 -4.97 120.51 113.41 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 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.29 4.80 -0.18 0.00 1.09 -1.26 0.15 121.20 125.50 1a6x s ILE 138 Ca 0.00 -0.02 -0.08 0.00 -1.10 0.00 0.00 60.65 59.45 1a6x s ILE 138 Cb 0.00 -3.21 -0.22 0.00 -1.06 0.00 0.00 42.46 37.98 1a6x s ILE 138 CO 0.00 0.39 0.14 0.18 -0.10 0.00 0.00 174.94 175.55 1a6x n LEU 139 N 4.18 2.50 -4.83 2.97 4.77 -0.42 -4.95 117.00 121.22 1a6x n LEU 139 Ca -0.16 0.19 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 1a6x n LEU 139 Cb 0.52 -1.02 0.08 0.00 -2.33 0.00 0.00 43.42 40.67 1a6x n LEU 139 CO 0.34 0.74 0.73 0.54 -1.33 0.00 0.00 177.39 178.41 1a6x s VAL 140 N -2.51 2.99 0.36 4.08 0.11 -0.44 -5.05 120.40 119.94 1a6x s VAL 140 Ca -0.28 0.32 0.09 0.00 -2.93 0.00 0.00 61.98 59.18 1a6x s VAL 140 Cb 0.08 -3.16 -0.06 0.00 -1.53 0.00 0.00 36.38 31.70 1a6x s VAL 140 CO 0.67 -0.42 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.28 1a6x s GLU 141 N -5.26 1.92 -0.90 1.54 2.56 -1.26 -5.00 118.70 112.29 1a6x s GLU 141 Ca 0.60 -1.93 -0.25 0.00 0.00 0.00 0.00 54.97 53.40 1a6x s GLU 141 Cb -0.13 -1.75 0.04 0.00 2.00 0.00 0.00 34.13 34.29 1a6x s GLU 141 CO 0.53 0.09 1.40 -1.54 -0.56 0.00 0.00 175.26 175.18 1a6x s SER 142 N -3.66 6.32 0.00 -1.70 1.04 -1.26 -2.50 113.70 111.94 1a6x s SER 142 Ca 0.34 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1a6x s SER 142 Cb 0.03 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1a6x s SER 142 CO 0.18 -1.68 0.00 0.61 0.98 0.00 0.00 173.24 173.33 1a6x n GLY 143 N 6.29 1.17 3.83 7.32 0.00 0.60 -4.88 105.19 119.51 1a6x n GLY 143 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.13 4.14 0.69 1.61 0.74 -1.04 -4.75 119.66 120.92 1a6x s GLN 144 Ca 0.00 1.08 -0.11 0.00 0.05 0.00 0.00 55.36 56.38 1a6x s GLN 144 Cb 0.00 -2.16 0.00 0.00 1.10 0.00 0.00 33.01 31.95 1a6x s GLN 144 CO 0.00 -0.11 1.06 -1.25 -0.55 0.00 0.00 175.29 174.44 1a6x s PRO 145 N -3.44 2.96 0.05 1.67 0.04 -1.26 -0.83 135.00 134.20 1a6x s PRO 145 Ca 0.61 0.97 -0.00 0.00 0.04 0.00 0.00 61.00 62.61 1a6x s PRO 145 Cb -0.09 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1a6x s PRO 145 CO 0.18 -1.08 -0.04 0.14 0.04 0.00 0.00 177.00 176.25 1a6x s VAL 146 N -3.02 0.25 0.13 -0.36 -7.23 0.74 -4.76 120.40 106.14 1a6x s VAL 146 Ca 0.58 -1.57 0.06 0.00 -1.81 0.00 0.00 61.98 59.24 1a6x s VAL 146 Cb -0.14 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.57 1a6x s VAL 146 CO 0.54 -0.84 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.66 1a6x s GLU 147 N -3.21 1.03 0.29 4.82 2.56 -1.26 -1.44 118.70 121.48 1a6x s GLU 147 Ca 0.01 -1.26 -0.30 0.00 0.00 0.00 0.00 54.97 53.42 1a6x s GLU 147 Cb 0.03 -0.86 -0.11 0.00 2.00 0.00 0.00 34.13 35.18 1a6x s GLU 147 CO -0.07 0.16 1.52 0.12 -0.56 0.00 0.00 175.26 176.43 1a6x s PHE 148 N -2.29 2.84 0.00 5.30 2.19 -1.26 -1.11 117.98 123.65 1a6x s PHE 148 Ca 0.10 0.93 0.00 0.00 0.33 0.00 0.00 56.93 58.28 1a6x s PHE 148 Cb -0.04 -3.96 0.00 0.00 -1.31 0.00 0.00 43.02 37.71 1a6x s PHE 148 CO 0.03 -3.15 0.00 -3.47 1.83 0.00 0.00 175.22 170.46 1a6x n ASP 149 N 2.02 0.00 -4.84 6.13 -0.08 -1.13 -5.01 116.55 113.64 1a6x n ASP 149 Ca 0.07 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.01 1a6x n ASP 149 Cb 0.39 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.79 1a6x n ASP 149 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1a6x s GLU 150 N -0.22 4.07 0.76 -0.67 0.41 -0.27 -4.88 118.70 117.90 1a6x s GLU 150 Ca 0.00 0.74 -0.11 0.00 -0.41 0.00 0.00 54.97 55.18 1a6x s GLU 150 Cb 0.00 -2.52 0.05 0.00 -1.78 0.00 0.00 34.13 29.87 1a6x s GLU 150 CO 0.00 0.20 1.08 -1.25 -0.49 0.00 0.00 175.26 174.81 1a6x s PRO 151 N -2.76 2.40 0.00 0.39 0.04 -1.26 0.25 135.00 134.06 1a6x s PRO 151 Ca 0.52 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1a6x s PRO 151 Cb -0.12 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1a6x s PRO 151 CO 0.18 -1.42 0.00 1.28 0.04 0.00 0.00 177.00 177.08 1a6x n LEU 152 N -3.32 0.00 -4.06 -3.56 4.77 0.49 -4.57 117.00 106.75 1a6x n LEU 152 Ca 0.07 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.85 1a6x n LEU 152 Cb 0.55 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.49 1a6x n LEU 152 CO 0.56 0.00 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.48 1a6x s VAL 153 N 0.00 0.89 -0.19 4.08 1.01 -1.23 -1.30 120.40 123.67 1a6x s VAL 153 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 1a6x s VAL 153 Cb 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 1a6x s VAL 153 CO 0.00 0.23 0.13 -0.69 0.00 0.00 0.00 175.10 174.77 1a6x s VAL 154 N -0.31 5.38 0.33 2.92 1.01 0.39 -1.03 120.40 129.10 1a6x s VAL 154 Ca 0.04 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.29 1a6x s VAL 154 Cb -0.05 -3.45 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 1a6x s VAL 154 CO -0.00 0.45 -0.03 -0.63 0.00 0.00 0.00 175.10 174.89 1a6x s ILE 155 N 0.28 2.56 -0.60 2.22 1.01 0.87 -0.88 121.20 126.67 1a6x s ILE 155 Ca 0.08 -2.06 0.05 0.00 0.00 0.00 0.00 60.65 58.72 1a6x s ILE 155 Cb -0.11 -2.73 0.04 0.00 0.01 0.00 0.00 42.46 39.67 1a6x s ILE 155 CO -0.02 -0.22 0.65 1.21 0.00 0.00 0.00 174.94 176.56