#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajw n VAL 61 N 0.00 0.72 -2.01 0.00 0.24 -1.26 -5.12 118.33 110.90 1ajw n VAL 61 Ca 0.00 -2.65 -0.29 0.00 -2.04 0.00 0.00 64.34 59.36 1ajw n VAL 61 Cb 0.00 0.75 0.19 0.00 -1.47 0.00 0.00 33.84 33.31 1ajw n VAL 61 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1ajw s SER 62 N -2.61 3.13 0.29 -1.34 0.01 -1.26 -5.10 113.70 106.81 1ajw s SER 62 Ca 0.26 0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.70 1ajw s SER 62 Cb 0.44 -0.19 0.03 0.00 0.21 0.00 0.00 66.02 66.52 1ajw s SER 62 CO 0.01 -2.71 0.24 0.00 0.41 0.00 0.00 173.24 171.18 1ajw n ALA 63 N -3.71 0.47 -2.01 1.44 0.00 -1.26 -5.11 120.51 110.33 1ajw n ALA 63 Ca 0.16 -1.14 -0.34 0.00 0.00 0.00 0.00 53.44 52.12 1ajw n ALA 63 Cb 0.59 0.45 -0.06 0.00 0.00 0.00 0.00 19.45 20.43 1ajw n ALA 63 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ajw s ASP 64 N -2.70 6.95 1.11 0.00 2.15 -1.26 -5.07 116.67 117.86 1ajw s ASP 64 Ca 0.18 1.48 -0.12 0.00 0.43 0.00 0.00 52.55 54.52 1ajw s ASP 64 Cb -0.01 -2.45 0.17 0.00 -0.30 0.00 0.00 42.92 40.33 1ajw s ASP 64 CO 0.12 -0.17 0.73 -0.81 -0.17 0.00 0.00 175.17 174.86 1ajw n PRO 65 N -0.05 -1.86 -2.21 4.34 -0.04 -1.26 -5.08 135.00 128.84 1ajw n PRO 65 Ca 0.03 -1.15 -0.15 0.00 -0.04 0.00 0.00 63.50 62.19 1ajw n PRO 65 Cb 0.52 -0.97 0.06 0.00 -0.04 0.00 0.00 33.50 33.08 1ajw n PRO 65 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ajw n ASN 66 N -3.97 1.25 -3.06 3.54 4.13 -1.26 -5.08 115.26 110.82 1ajw n ASN 66 Ca 0.10 -1.96 -0.15 0.00 1.68 0.00 0.00 54.58 54.25 1ajw n ASN 66 Cb 0.36 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1ajw n ASN 66 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1ajw n VAL 67 N -2.11 -0.08 -1.36 2.41 3.14 -1.26 -5.13 118.33 113.94 1ajw n VAL 67 Ca 0.12 -3.77 -0.29 0.00 -2.96 0.00 0.00 64.34 57.43 1ajw n VAL 67 Cb 0.42 0.20 0.15 0.00 -1.06 0.00 0.00 33.84 33.54 1ajw n VAL 67 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1ajw s PRO 68 N -1.80 0.94 -0.05 1.45 0.04 -1.26 -5.03 135.00 129.29 1ajw s PRO 68 Ca 0.35 0.45 -0.01 0.00 0.04 0.00 0.00 61.00 61.83 1ajw s PRO 68 Cb 0.34 -1.80 -0.00 0.00 0.04 0.00 0.00 34.50 33.08 1ajw s PRO 68 CO -0.07 -2.37 -0.02 -0.97 0.04 0.00 0.00 177.00 173.61 1ajw h ASN 69 N -1.63 0.00 -3.22 6.66 -0.00 -1.91 -3.40 115.58 112.08 1ajw h ASN 69 Ca -0.52 0.00 -0.35 0.00 -0.00 0.00 0.00 56.30 55.43 1ajw h ASN 69 Cb 1.32 0.00 -0.38 0.00 -0.00 0.00 0.00 38.32 39.26 1ajw h ASN 69 CO 0.59 0.26 -0.71 -0.69 -0.00 0.00 0.00 177.43 176.89 1ajw s VAL 70 N -1.34 -0.16 -0.04 2.57 1.01 -1.26 -3.22 120.40 117.97 1ajw s VAL 70 Ca -0.02 0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 1ajw s VAL 70 Cb 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.17 1ajw s VAL 70 CO 0.03 0.14 0.10 -0.69 0.00 0.00 0.00 175.10 174.68 1ajw s VAL 71 N 2.21 -0.00 -0.42 2.92 1.01 -1.24 -4.64 120.40 120.24 1ajw s VAL 71 Ca 0.04 0.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 1ajw s VAL 71 Cb -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1ajw s VAL 71 CO -0.04 0.01 2.09 -0.69 0.00 0.00 0.00 175.10 176.46 1ajw s VAL 72 N 0.15 3.20 -0.02 2.92 1.01 -1.26 -3.20 120.40 123.20 1ajw s VAL 72 Ca -0.01 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 1ajw s VAL 72 Cb -0.02 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1ajw s VAL 72 CO -0.00 -0.31 0.30 0.71 0.00 0.00 0.00 175.10 175.80 1ajw h THR 73 N 7.17 0.00 -3.28 3.92 1.35 -0.89 -3.39 112.91 117.79 1ajw h THR 73 Ca -0.31 -0.23 -0.42 0.00 -0.55 0.00 0.00 66.41 64.91 1ajw h THR 73 Cb 1.21 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 67.49 1ajw h THR 73 CO 1.10 0.00 -0.60 -0.13 -0.25 0.00 0.00 175.52 175.63 1ajw s ARG 74 N -1.88 1.57 -0.04 4.72 0.52 -1.06 -0.31 118.95 122.46 1ajw s ARG 74 Ca -0.02 -1.87 -0.03 0.00 -0.52 0.00 0.00 55.73 53.29 1ajw s ARG 74 Cb 0.00 -0.55 0.02 0.00 0.52 0.00 0.00 34.95 34.94 1ajw s ARG 74 CO 0.05 -0.27 0.10 -1.17 0.02 0.00 0.00 175.30 174.03 1ajw s LEU 75 N -3.42 1.37 0.32 2.53 0.20 -0.57 -1.72 118.68 117.40 1ajw s LEU 75 Ca 0.36 0.21 0.08 0.00 0.69 0.00 0.00 54.13 55.47 1ajw s LEU 75 Cb 0.08 0.31 -0.04 0.00 -0.43 0.00 0.00 46.19 46.11 1ajw s LEU 75 CO 0.15 -0.07 0.18 -0.89 -0.29 0.00 0.00 176.35 175.43 1ajw s THR 76 N 0.40 3.38 -0.21 3.68 2.01 -0.90 0.36 115.64 124.36 1ajw s THR 76 Ca -0.03 -1.58 -0.04 0.00 0.31 0.00 0.00 61.69 60.35 1ajw s THR 76 Cb -0.04 -3.08 0.10 0.00 0.01 0.00 0.00 72.50 69.49 1ajw s THR 76 CO -0.02 -0.22 0.24 -0.76 -0.69 0.00 0.00 174.62 173.18 1ajw s LEU 77 N -3.87 -0.18 -0.14 4.42 1.43 -1.00 -3.61 118.68 115.73 1ajw s LEU 77 Ca 0.37 -0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1ajw s LEU 77 Cb -0.05 0.48 0.04 0.00 0.03 0.00 0.00 46.19 46.70 1ajw s LEU 77 CO 0.24 -0.32 0.01 -0.69 0.23 0.00 0.00 176.35 175.81 1ajw s VAL 78 N 2.36 0.55 -0.79 -1.59 1.01 -0.67 -3.13 120.40 118.13 1ajw s VAL 78 Ca 0.08 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1ajw s VAL 78 Cb -0.16 -0.86 0.20 0.00 0.00 0.00 0.00 36.38 35.56 1ajw s VAL 78 CO -0.12 0.04 0.68 0.00 0.00 0.00 0.00 175.10 175.69 1ajw n SER 80 N 1.93 0.00 -2.99 0.00 3.41 -1.26 -2.94 113.62 111.77 1ajw n SER 80 Ca 0.22 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.51 1ajw n SER 80 Cb 0.36 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 1ajw n SER 80 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ajw n THR 81 N 0.00 4.19 -3.33 6.66 -2.24 -1.26 -4.94 114.28 113.36 1ajw n THR 81 Ca 0.00 -2.89 -0.31 0.00 -2.27 0.00 0.00 64.05 58.58 1ajw n THR 81 Cb 0.00 -2.22 -0.04 0.00 -2.10 0.00 0.00 70.33 65.97 1ajw n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ajw s ALA 82 N 0.55 3.56 -0.20 6.98 0.00 -1.15 -4.67 121.76 126.82 1ajw s ALA 82 Ca 0.64 -0.35 0.29 0.00 0.00 0.00 0.00 51.96 52.54 1ajw s ALA 82 Cb 0.23 -2.43 1.02 0.00 0.00 0.00 0.00 23.12 21.95 1ajw s ALA 82 CO -0.08 0.37 1.83 -1.00 0.00 0.00 0.00 175.76 176.89 1ajw h PRO 83 N 2.15 0.00 0.00 0.00 0.13 -1.92 -3.47 132.00 128.89 1ajw h PRO 83 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ajw h PRO 83 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ajw h PRO 83 CO 0.68 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.86 1ajw n GLY 84 N 0.38 2.68 3.55 1.56 0.00 -1.26 -5.07 105.19 107.02 1ajw n GLY 84 Ca 0.02 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 1ajw n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ajw s PRO 85 N -2.00 2.75 0.19 1.61 0.04 -1.26 -4.81 135.00 131.52 1ajw s PRO 85 Ca 0.00 0.29 -0.31 0.00 0.04 0.00 0.00 61.00 61.02 1ajw s PRO 85 Cb 0.00 -4.46 -0.10 0.00 0.04 0.00 0.00 34.50 29.98 1ajw s PRO 85 CO 0.00 -2.68 1.53 -0.51 0.04 0.00 0.00 177.00 175.37 1ajw s LEU 86 N 8.45 4.37 -0.34 -3.56 1.43 -1.19 -4.63 118.68 123.21 1ajw s LEU 86 Ca 0.61 2.62 -0.11 0.00 -1.03 0.00 0.00 54.13 56.23 1ajw s LEU 86 Cb -0.11 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.52 1ajw s LEU 86 CO 0.16 -0.79 0.19 -0.70 0.23 0.00 0.00 176.35 175.44 1ajw s GLU 87 N 0.70 3.11 -0.07 1.70 2.12 -1.25 -2.36 118.70 122.64 1ajw s GLU 87 Ca 0.67 -0.88 -0.21 0.00 0.36 0.00 0.00 54.97 54.91 1ajw s GLU 87 Cb -0.43 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 1ajw s GLU 87 CO 0.35 -0.56 0.59 -1.17 -0.54 0.00 0.00 175.26 173.93 1ajw s LEU 88 N 1.60 4.33 -0.13 2.70 0.20 0.16 -4.85 118.68 122.68 1ajw s LEU 88 Ca 0.04 1.04 -0.23 0.00 0.69 0.00 0.00 54.13 55.67 1ajw s LEU 88 Cb -0.18 -2.90 -0.03 0.00 -0.43 0.00 0.00 46.19 42.66 1ajw s LEU 88 CO 0.07 -0.01 0.70 -0.62 -0.29 0.00 0.00 176.35 176.19 1ajw s ASP 89 N 0.46 6.87 -0.41 3.68 2.15 -1.26 -1.51 116.67 126.66 1ajw s ASP 89 Ca 0.32 1.06 0.11 0.00 0.43 0.00 0.00 52.55 54.46 1ajw s ASP 89 Cb -0.17 -2.40 0.41 0.00 -0.30 0.00 0.00 42.92 40.47 1ajw s ASP 89 CO 0.15 -0.23 0.97 0.18 -0.17 0.00 0.00 175.17 176.07 1ajw n LEU 90 N 4.51 2.90 0.00 -1.34 4.32 0.57 -4.83 117.00 123.14 1ajw n LEU 90 Ca -0.00 -4.71 0.00 0.00 -0.02 0.00 0.00 56.01 51.28 1ajw n LEU 90 Cb 0.50 0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 1ajw n LEU 90 CO 0.46 2.02 -0.27 0.35 -1.22 0.00 0.00 177.39 178.74 1ajw n THR 91 N -0.18 0.00 0.00 -5.08 -2.24 -1.26 -4.22 114.28 101.31 1ajw n THR 91 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1ajw n THR 91 Cb 0.68 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1ajw n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ajw n GLY 92 N 2.34 0.47 3.63 3.38 0.00 -1.26 -4.94 105.19 108.81 1ajw n GLY 92 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ajw n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ajw s ASP 93 N -0.76 5.94 -0.17 1.61 2.15 -1.26 -4.84 116.67 119.34 1ajw s ASP 93 Ca 0.00 2.20 -0.02 0.00 0.43 0.00 0.00 52.55 55.16 1ajw s ASP 93 Cb 0.00 -2.52 -0.23 0.00 -0.30 0.00 0.00 42.92 39.87 1ajw s ASP 93 CO 0.00 -1.53 0.17 0.18 -0.17 0.00 0.00 175.17 173.82 1ajw n LEU 94 N 9.72 2.57 0.29 -1.34 4.77 -1.26 -4.11 117.00 127.64 1ajw n LEU 94 Ca 0.25 0.10 0.19 0.00 -0.03 0.00 0.00 56.01 56.51 1ajw n LEU 94 Cb 0.43 -0.93 1.00 0.00 -2.33 0.00 0.00 43.42 41.60 1ajw n LEU 94 CO 0.67 0.85 1.09 -0.33 -1.33 0.00 0.00 177.39 178.33 1ajw h GLU 95 N 0.04 0.00 -0.03 3.23 3.07 -1.91 -2.40 114.58 116.58 1ajw h GLU 95 Ca -0.47 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.40 1ajw h GLU 95 Cb 2.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.90 1ajw h GLU 95 CO 0.03 0.00 0.25 1.03 -1.40 0.00 0.00 179.01 178.92 1ajw h SER 96 N 0.00 0.00 -0.16 1.42 0.87 -1.95 -0.90 113.55 112.83 1ajw h SER 96 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ajw h SER 96 Cb 0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1ajw h SER 96 CO 0.00 0.00 0.11 -0.26 -0.53 0.00 0.00 176.83 176.15 1ajw h PHE 97 N 0.00 0.20 0.00 2.24 0.04 -1.71 -0.86 116.94 116.85 1ajw h PHE 97 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1ajw h PHE 97 Cb 0.52 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1ajw h PHE 97 CO 0.00 0.13 0.00 0.87 -0.60 0.00 0.00 178.31 178.71 1ajw h LYS 98 N 0.22 0.00 0.00 1.51 1.57 -1.38 -2.03 116.57 116.45 1ajw h LYS 98 Ca 0.06 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 1ajw h LYS 98 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1ajw h LYS 98 CO -0.01 0.00 -1.11 0.87 -0.57 0.00 0.00 179.45 178.63 1ajw h LYS 99 N 0.00 0.00 -4.66 3.15 1.57 -1.34 -3.46 116.57 111.83 1ajw h LYS 99 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 1ajw h LYS 99 Cb 0.13 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.15 1ajw h LYS 99 CO 0.00 0.36 -0.78 1.14 -0.57 0.00 0.00 179.45 179.60 1ajw s GLN 100 N -2.94 0.86 0.12 3.15 -2.07 -0.76 -5.15 119.66 112.87 1ajw s GLN 100 Ca -0.01 -0.31 0.10 0.00 -1.82 0.00 0.00 55.36 53.32 1ajw s GLN 100 Cb 0.08 -0.82 -0.04 0.00 -1.09 0.00 0.00 33.01 31.15 1ajw s GLN 100 CO 0.79 0.15 -0.25 -1.54 -1.32 0.00 0.00 175.29 173.12 1ajw s SER 101 N 0.01 3.12 -0.19 12.60 1.04 -1.26 -4.62 113.70 124.41 1ajw s SER 101 Ca -0.00 -0.73 -0.24 0.00 0.48 0.00 0.00 55.95 55.46 1ajw s SER 101 Cb -0.06 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 1ajw s SER 101 CO 0.00 0.15 0.79 -0.36 0.98 0.00 0.00 173.24 174.80 1ajw s PHE 102 N -1.08 3.39 0.45 5.02 0.08 -1.20 -4.72 117.98 119.93 1ajw s PHE 102 Ca 0.12 1.17 -0.17 0.00 0.12 0.00 0.00 56.93 58.17 1ajw s PHE 102 Cb -0.10 -2.98 -0.09 0.00 -0.57 0.00 0.00 43.02 39.29 1ajw s PHE 102 CO 0.05 -0.25 0.91 0.08 -0.10 0.00 0.00 175.22 175.91 1ajw s VAL 103 N 2.21 4.55 0.29 -0.44 1.01 -1.25 -0.15 120.40 126.61 1ajw s VAL 103 Ca 0.36 1.17 -0.13 0.00 0.00 0.00 0.00 61.98 63.38 1ajw s VAL 103 Cb -0.16 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1ajw s VAL 103 CO 0.11 -0.49 0.56 -0.76 0.00 0.00 0.00 175.10 174.52 1ajw s LEU 104 N -3.63 0.30 0.24 3.92 1.43 0.68 -4.90 118.68 116.73 1ajw s LEU 104 Ca 0.58 -1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1ajw s LEU 104 Cb -0.10 2.02 -0.05 0.00 0.03 0.00 0.00 46.19 48.10 1ajw s LEU 104 CO 0.24 -1.28 0.49 -0.75 0.23 0.00 0.00 176.35 175.28 1ajw s LYS 105 N -3.60 3.61 0.01 1.70 2.20 -1.26 0.11 119.74 122.51 1ajw s LYS 105 Ca 0.21 -0.09 -0.01 0.00 -0.36 0.00 0.00 55.97 55.72 1ajw s LYS 105 Cb -0.02 -2.72 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 1ajw s LYS 105 CO 0.11 0.30 0.04 0.39 -0.36 0.00 0.00 175.35 175.83 1ajw n GLU 106 N -0.70 -0.01 -2.75 4.03 1.02 0.76 -3.33 120.64 119.67 1ajw n GLU 106 Ca -0.02 0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 1ajw n GLU 106 Cb 0.54 -0.06 0.05 0.00 -0.02 0.00 0.00 31.44 31.95 1ajw n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ajw n GLY 107 N -1.01 -0.06 0.00 0.62 0.00 -1.26 -1.78 105.19 101.70 1ajw n GLY 107 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1ajw n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ajw n VAL 108 N 1.61 0.00 -3.82 1.61 0.24 -1.21 -4.42 118.33 112.34 1ajw n VAL 108 Ca 0.09 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.05 1ajw n VAL 108 Cb 0.64 -1.87 -0.05 0.00 -1.47 0.00 0.00 33.84 31.09 1ajw n VAL 108 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1ajw s GLU 109 N -0.01 3.52 -0.33 7.34 0.41 -1.26 -2.74 118.70 125.63 1ajw s GLU 109 Ca 0.00 -0.20 -0.07 0.00 -0.41 0.00 0.00 54.97 54.30 1ajw s GLU 109 Cb 0.00 -3.07 0.03 0.00 -1.78 0.00 0.00 34.13 29.31 1ajw s GLU 109 CO 0.00 0.65 0.10 0.71 -0.49 0.00 0.00 175.26 176.23 1ajw s TYR 110 N -1.34 3.23 -0.38 1.61 2.02 0.33 -4.12 117.35 118.70 1ajw s TYR 110 Ca 0.28 -1.32 0.02 0.00 -0.37 0.00 0.00 57.07 55.69 1ajw s TYR 110 Cb -0.13 -2.27 0.11 0.00 -0.40 0.00 0.00 41.96 39.27 1ajw s TYR 110 CO 0.18 -0.70 0.11 1.03 -1.57 0.00 0.00 175.55 174.61 1ajw s ARG 111 N 1.42 1.67 0.01 -0.62 1.81 -0.61 -0.43 118.95 122.21 1ajw s ARG 111 Ca -0.01 -1.97 0.03 0.00 -1.72 0.00 0.00 55.73 52.07 1ajw s ARG 111 Cb -0.19 -3.31 -0.03 0.00 -0.45 0.00 0.00 34.95 30.97 1ajw s ARG 111 CO 0.03 -0.99 -0.06 0.42 -0.68 0.00 0.00 175.30 174.02 1ajw s ILE 112 N 0.79 3.70 -0.28 1.52 1.01 -1.21 -1.67 121.20 125.05 1ajw s ILE 112 Ca 0.11 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1ajw s ILE 112 Cb -0.21 -2.63 0.07 0.00 0.01 0.00 0.00 42.46 39.71 1ajw s ILE 112 CO -0.06 0.36 -0.06 -0.54 0.00 0.00 0.00 174.94 174.63 1ajw s LYS 113 N -1.52 2.02 0.34 2.79 1.02 -1.24 0.73 119.74 123.87 1ajw s LYS 113 Ca 0.18 -1.49 -0.19 0.00 0.02 0.00 0.00 55.97 54.49 1ajw s LYS 113 Cb -0.11 -2.97 -0.10 0.00 -0.52 0.00 0.00 37.83 34.13 1ajw s LYS 113 CO 0.09 -0.67 0.83 0.42 -0.92 0.00 0.00 175.35 175.09 1ajw s ILE 114 N 1.05 4.51 -0.02 2.17 -1.09 -1.01 -2.12 121.20 124.69 1ajw s ILE 114 Ca -0.03 1.30 0.03 0.00 -2.23 0.00 0.00 60.65 59.72 1ajw s ILE 114 Cb -0.20 -3.71 -0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1ajw s ILE 114 CO -0.06 -0.10 -0.12 -0.44 -1.23 0.00 0.00 174.94 172.99 1ajw s SER 115 N -2.03 1.52 0.13 3.58 0.01 -0.70 -0.89 113.70 115.32 1ajw s SER 115 Ca 0.54 -0.24 -0.21 0.00 1.31 0.00 0.00 55.95 57.35 1ajw s SER 115 Cb -0.12 -0.32 0.06 0.00 0.21 0.00 0.00 66.02 65.84 1ajw s SER 115 CO 0.18 0.12 0.53 0.72 0.41 0.00 0.00 173.24 175.20 1ajw s PHE 116 N -0.02 -0.43 -0.11 2.43 -0.71 -1.19 -0.39 117.98 117.58 1ajw s PHE 116 Ca -0.00 0.22 -0.09 0.00 -1.04 0.00 0.00 56.93 56.02 1ajw s PHE 116 Cb -0.08 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 1ajw s PHE 116 CO 0.00 -0.78 0.20 1.03 -1.34 0.00 0.00 175.22 174.33 1ajw s ARG 117 N -3.60 3.63 -0.40 1.99 0.52 -1.20 -0.21 118.95 119.69 1ajw s ARG 117 Ca 0.01 -0.02 0.01 0.00 -0.52 0.00 0.00 55.73 55.20 1ajw s ARG 117 Cb -0.00 -3.23 0.13 0.00 0.52 0.00 0.00 34.95 32.38 1ajw s ARG 117 CO -0.11 0.70 0.21 0.08 0.02 0.00 0.00 175.30 176.20 1ajw s VAL 118 N -0.85 0.94 -0.36 3.52 1.01 -1.20 -3.64 120.40 119.82 1ajw s VAL 118 Ca 0.16 -2.15 0.12 0.00 0.00 0.00 0.00 61.98 60.11 1ajw s VAL 118 Cb -0.13 -1.67 0.45 0.00 0.00 0.00 0.00 36.38 35.03 1ajw s VAL 118 CO 0.05 -0.90 1.06 -3.20 0.00 0.00 0.00 175.10 172.11 1ajw n ASN 119 N 3.86 3.25 0.01 3.32 5.15 -1.20 -3.45 115.26 126.20 1ajw n ASN 119 Ca 0.08 -3.20 0.00 0.00 -0.60 0.00 0.00 54.58 50.86 1ajw n ASN 119 Cb 0.36 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 39.14 1ajw n ASN 119 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1ajw n ARG 120 N -0.36 0.00 -4.17 1.20 3.00 -1.26 -4.93 116.66 110.14 1ajw n ARG 120 Ca 0.26 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 58.00 1ajw n ARG 120 Cb 0.76 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 33.12 1ajw n ARG 120 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1ajw s GLU 121 N -1.04 1.00 -0.46 -0.14 2.02 -1.26 -4.82 118.70 114.00 1ajw s GLU 121 Ca 0.00 -1.48 -0.28 0.00 0.02 0.00 0.00 54.97 53.23 1ajw s GLU 121 Cb 0.00 0.15 -0.02 0.00 0.10 0.00 0.00 34.13 34.36 1ajw s GLU 121 CO 0.00 -0.25 1.83 0.42 0.02 0.00 0.00 175.26 177.27 1ajw s ILE 122 N -3.99 3.43 -1.22 -1.63 1.01 -1.26 -4.03 121.20 113.52 1ajw s ILE 122 Ca 0.26 0.37 -0.14 0.00 0.00 0.00 0.00 60.65 61.14 1ajw s ILE 122 Cb 0.07 -3.78 0.16 0.00 0.01 0.00 0.00 42.46 38.92 1ajw s ILE 122 CO 0.04 -0.63 1.47 -0.69 0.00 0.00 0.00 174.94 175.13 1ajw s VAL 123 N 7.93 4.92 -0.31 2.92 1.01 -0.76 -4.92 120.40 131.18 1ajw s VAL 123 Ca 0.74 -2.54 -0.27 0.00 0.00 0.00 0.00 61.98 59.92 1ajw s VAL 123 Cb -0.18 -4.95 0.01 0.00 0.00 0.00 0.00 36.38 31.27 1ajw s VAL 123 CO 0.28 -1.67 0.95 -0.94 0.00 0.00 0.00 175.10 173.71 1ajw s SER 124 N 3.01 6.82 0.00 3.32 1.04 -1.26 -2.95 113.70 123.68 1ajw s SER 124 Ca 0.44 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.76 1ajw s SER 124 Cb -0.02 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1ajw s SER 124 CO 0.01 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1ajw n GLY 125 N 3.99 1.93 3.75 7.32 0.00 -1.26 -4.09 105.19 116.84 1ajw n GLY 125 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1ajw n GLY 125 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ajw s MET 126 N -0.21 4.24 0.31 1.61 1.75 -1.19 -2.30 119.30 123.51 1ajw s MET 126 Ca 0.00 2.37 0.05 0.00 -1.25 0.00 0.00 55.69 56.86 1ajw s MET 126 Cb 0.00 -3.08 -0.06 0.00 2.84 0.00 0.00 34.83 34.53 1ajw s MET 126 CO 0.00 -0.45 -0.00 0.15 -0.65 0.00 0.00 175.02 174.06 1ajw s LYS 127 N -0.59 1.62 -0.44 4.11 1.02 -0.44 -0.37 119.74 124.66 1ajw s LYS 127 Ca 0.59 -1.86 0.05 0.00 0.02 0.00 0.00 55.97 54.76 1ajw s LYS 127 Cb -0.43 -1.07 0.18 0.00 -0.52 0.00 0.00 37.83 36.00 1ajw s LYS 127 CO 0.46 -0.07 0.39 0.98 -0.92 0.00 0.00 175.35 176.19 1ajw n TYR 128 N -0.65 -0.43 -1.50 3.18 9.36 0.43 -3.13 117.16 124.42 1ajw n TYR 128 Ca -0.04 -3.44 -0.32 0.00 3.32 0.00 0.00 57.90 57.42 1ajw n TYR 128 Cb 0.65 0.08 0.07 0.00 -0.63 0.00 0.00 39.34 39.51 1ajw n TYR 128 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1ajw s ILE 129 N -0.32 3.21 -0.29 2.97 1.01 -1.19 -3.10 121.20 123.49 1ajw s ILE 129 Ca 0.33 0.48 -0.14 0.00 0.00 0.00 0.00 60.65 61.32 1ajw s ILE 129 Cb 0.06 -2.98 0.11 0.00 0.01 0.00 0.00 42.46 39.66 1ajw s ILE 129 CO -0.18 -0.43 0.74 -1.58 0.00 0.00 0.00 174.94 173.50 1ajw s GLN 130 N -4.45 0.59 -0.24 2.79 0.74 -1.00 -2.21 119.66 115.88 1ajw s GLN 130 Ca 0.65 1.17 -0.05 0.00 0.05 0.00 0.00 55.36 57.17 1ajw s GLN 130 Cb -0.19 0.35 -0.01 0.00 1.10 0.00 0.00 33.01 34.26 1ajw s GLN 130 CO 0.48 -0.15 0.00 -1.01 -0.55 0.00 0.00 175.29 174.07 1ajw s HIS 131 N 2.00 3.02 -0.90 1.67 3.76 0.19 -2.68 115.29 122.35 1ajw s HIS 131 Ca -0.08 -0.79 -0.19 0.00 -0.15 0.00 0.00 55.06 53.85 1ajw s HIS 131 Cb -0.07 -2.16 -0.12 0.00 1.11 0.00 0.00 32.58 31.35 1ajw s HIS 131 CO -0.19 -0.49 2.01 2.41 -0.85 0.00 0.00 174.74 177.63 1ajw n THR 132 N 4.84 2.17 -1.84 1.30 -1.04 0.31 -1.40 114.28 118.63 1ajw n THR 132 Ca -0.17 -1.79 -0.39 0.00 -2.04 0.00 0.00 64.05 59.66 1ajw n THR 132 Cb 0.51 -2.34 0.03 0.00 -1.82 0.00 0.00 70.33 66.70 1ajw n THR 132 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1ajw s TYR 133 N 4.51 2.42 -0.32 -1.42 1.51 0.82 -3.31 117.35 121.56 1ajw s TYR 133 Ca 0.54 1.35 0.01 0.00 -1.01 0.00 0.00 57.07 57.96 1ajw s TYR 133 Cb 0.14 -3.80 0.10 0.00 -0.11 0.00 0.00 41.96 38.28 1ajw s TYR 133 CO 0.07 -2.76 0.07 0.50 -1.11 0.00 0.00 175.55 172.31 1ajw s ARG 134 N -2.69 1.06 -1.46 -0.62 3.52 0.33 0.29 118.95 119.38 1ajw s ARG 134 Ca 0.66 -1.37 -0.09 0.00 -0.13 0.00 0.00 55.73 54.80 1ajw s ARG 134 Cb -0.41 -2.50 0.04 0.00 -1.56 0.00 0.00 34.95 30.53 1ajw s ARG 134 CO 0.50 -0.94 0.77 1.17 -0.81 0.00 0.00 175.30 175.99 1ajw n LYS 135 N 4.61 -5.20 0.00 5.12 0.00 -1.26 -1.21 118.16 120.22 1ajw n LYS 135 Ca -0.00 0.71 0.00 0.00 0.00 0.00 0.00 58.31 59.02 1ajw n LYS 135 Cb 0.42 -5.58 0.00 0.00 0.00 0.00 0.00 35.03 29.88 1ajw n LYS 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ajw n GLY 136 N -1.56 1.95 3.99 3.14 0.00 -1.26 -5.06 105.19 106.38 1ajw n GLY 136 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1ajw n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ajw s VAL 137 N -2.49 3.58 -0.12 1.61 1.01 -0.35 -5.09 120.40 118.54 1ajw s VAL 137 Ca 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1ajw s VAL 137 Cb 0.00 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1ajw s VAL 137 CO 0.00 -0.11 -0.12 -0.54 0.00 0.00 0.00 175.10 174.32 1ajw s LYS 138 N -4.34 3.33 0.00 2.72 3.01 -1.26 0.12 119.74 123.32 1ajw s LYS 138 Ca 0.50 -0.67 0.00 0.00 -1.01 0.00 0.00 55.97 54.79 1ajw s LYS 138 Cb -0.10 -2.63 0.00 0.00 -1.01 0.00 0.00 37.83 34.09 1ajw s LYS 138 CO 0.33 0.26 0.00 0.44 0.51 0.00 0.00 175.35 176.89 1ajw n ILE 139 N 3.41 0.00 -3.48 2.17 -6.64 -1.21 -4.92 119.36 108.68 1ajw n ILE 139 Ca -0.18 0.00 0.01 0.00 -1.77 0.00 0.00 62.75 60.81 1ajw n ILE 139 Cb 0.53 -0.09 -0.04 0.00 -1.44 0.00 0.00 39.64 38.60 1ajw n ILE 139 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1ajw s ASP 140 N -2.32 -0.86 -0.07 7.28 2.15 -1.26 -5.00 116.67 116.59 1ajw s ASP 140 Ca 0.00 1.11 -0.04 0.00 0.43 0.00 0.00 52.55 54.05 1ajw s ASP 140 Cb 0.00 1.95 0.03 0.00 -0.30 0.00 0.00 42.92 44.60 1ajw s ASP 140 CO 0.00 -0.16 0.17 -1.59 -0.17 0.00 0.00 175.17 173.42 1ajw s LYS 141 N 2.68 0.14 0.17 4.34 -2.85 -1.26 0.12 119.74 123.07 1ajw s LYS 141 Ca -0.03 0.37 -0.08 0.00 -1.00 0.00 0.00 55.97 55.24 1ajw s LYS 141 Cb -0.09 -0.10 -0.01 0.00 -2.06 0.00 0.00 37.83 35.57 1ajw s LYS 141 CO -0.18 -0.13 0.25 0.99 0.10 0.00 0.00 175.35 176.39 1ajw s THR 142 N 0.91 0.06 -0.15 3.79 2.01 -1.09 -4.97 115.64 116.20 1ajw s THR 142 Ca -0.07 -1.50 -0.08 0.00 0.31 0.00 0.00 61.69 60.36 1ajw s THR 142 Cb -0.09 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1ajw s THR 142 CO -0.05 -0.29 0.14 1.51 -0.69 0.00 0.00 174.62 175.24 1ajw s ASP 143 N -2.99 6.31 0.17 3.53 -4.77 -1.26 -2.38 116.67 115.28 1ajw s ASP 143 Ca 0.20 0.38 0.08 0.00 -3.30 0.00 0.00 52.55 49.90 1ajw s ASP 143 Cb 0.04 -2.07 -0.04 0.00 -1.09 0.00 0.00 42.92 39.75 1ajw s ASP 143 CO 0.01 0.32 -0.02 -0.31 0.70 0.00 0.00 175.17 175.88 1ajw s TYR 144 N -0.52 2.80 -0.37 2.11 1.51 -1.18 -4.92 117.35 116.79 1ajw s TYR 144 Ca 0.12 -0.15 -0.13 0.00 -1.01 0.00 0.00 57.07 55.91 1ajw s TYR 144 Cb -0.12 -1.36 0.01 0.00 -0.11 0.00 0.00 41.96 40.38 1ajw s TYR 144 CO 0.02 0.52 0.24 1.41 -1.11 0.00 0.00 175.55 176.62 1ajw s MET 145 N -2.90 3.11 -0.11 -0.62 1.75 -1.26 -0.43 119.30 118.84 1ajw s MET 145 Ca 0.27 -0.90 -0.27 0.00 -1.25 0.00 0.00 55.69 53.53 1ajw s MET 145 Cb -0.09 -3.82 -0.27 0.00 2.84 0.00 0.00 34.83 33.49 1ajw s MET 145 CO 0.18 -0.62 0.82 0.28 -0.65 0.00 0.00 175.02 175.04 1ajw h VAL 146 N 5.66 1.72 0.00 10.11 2.07 -1.00 -3.47 116.25 131.34 1ajw h VAL 146 Ca -0.28 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 64.90 1ajw h VAL 146 Cb 1.13 3.29 0.00 0.00 -1.52 0.00 0.00 31.29 34.19 1ajw h VAL 146 CO 0.67 0.62 0.00 0.61 0.02 0.00 0.00 177.57 179.49 1ajw n GLY 147 N 1.55 3.54 3.81 2.17 0.00 -1.15 -4.95 105.19 110.17 1ajw n GLY 147 Ca -0.11 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 1ajw n GLY 147 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ajw s SER 148 N 0.00 7.09 -0.04 1.61 1.04 -1.26 -3.14 113.70 119.00 1ajw s SER 148 Ca 0.00 1.43 -0.01 0.00 0.48 0.00 0.00 55.95 57.85 1ajw s SER 148 Cb 0.00 -2.42 0.03 0.00 0.10 0.00 0.00 66.02 63.73 1ajw s SER 148 CO 0.00 0.07 0.06 -0.31 0.98 0.00 0.00 173.24 174.04 1ajw s TYR 149 N -1.46 0.00 0.46 5.02 2.02 -1.15 -4.95 117.35 117.29 1ajw s TYR 149 Ca 0.41 0.25 -0.14 0.00 -0.37 0.00 0.00 57.07 57.22 1ajw s TYR 149 Cb -0.18 -0.30 -0.07 0.00 -0.40 0.00 0.00 41.96 41.01 1ajw s TYR 149 CO 0.21 -0.15 0.89 0.20 -1.57 0.00 0.00 175.55 175.14 1ajw s GLY 150 N 1.55 2.03 -1.09 0.71 0.00 -1.26 -1.84 107.32 107.42 1ajw s GLY 150 Ca -0.03 0.03 -0.22 0.00 0.00 0.00 0.00 44.72 44.49 1ajw s GLY 150 CO -0.04 0.27 1.77 2.56 0.00 0.00 0.00 173.10 177.67 1ajw s PRO 151 N -3.94 3.11 0.00 2.90 0.04 -1.26 -4.83 135.00 131.02 1ajw s PRO 151 Ca 0.56 -1.08 0.00 0.00 0.04 0.00 0.00 61.00 60.52 1ajw s PRO 151 Cb -0.10 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1ajw s PRO 151 CO 0.31 -2.99 0.00 0.54 0.04 0.00 0.00 177.00 174.89 1ajw n ARG 152 N 8.63 0.00 -0.69 4.56 1.74 -1.22 -4.79 116.66 124.89 1ajw n ARG 152 Ca 0.41 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.47 1ajw n ARG 152 Cb 0.48 -0.03 -0.02 0.00 -1.02 0.00 0.00 32.46 31.86 1ajw n ARG 152 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ajw n ALA 153 N -2.80 0.16 -3.00 7.54 0.00 -1.26 -4.97 120.51 116.17 1ajw n ALA 153 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1ajw n ALA 153 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1ajw n ALA 153 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ajw n GLU 154 N -0.01 0.00 -3.26 0.00 0.28 -1.26 -5.10 120.64 111.28 1ajw n GLU 154 Ca -0.09 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.73 1ajw n GLU 154 Cb 0.40 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.27 1ajw n GLU 154 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1ajw s GLU 155 N -0.03 2.96 0.43 3.44 8.01 -1.26 -3.25 118.70 129.01 1ajw s GLU 155 Ca 0.00 -1.13 0.07 0.00 0.01 0.00 0.00 54.97 53.91 1ajw s GLU 155 Cb 0.00 -2.78 -0.04 0.00 -4.31 0.00 0.00 34.13 27.00 1ajw s GLU 155 CO 0.00 -0.10 0.20 0.71 0.01 0.00 0.00 175.26 176.08 1ajw s TYR 156 N -2.26 2.45 -0.33 1.61 1.51 0.70 -4.92 117.35 116.12 1ajw s TYR 156 Ca 0.50 -0.64 -0.02 0.00 -1.01 0.00 0.00 57.07 55.90 1ajw s TYR 156 Cb -0.10 -1.94 0.12 0.00 -0.11 0.00 0.00 41.96 39.94 1ajw s TYR 156 CO 0.32 0.11 0.17 -1.21 -1.11 0.00 0.00 175.55 173.83 1ajw s GLU 157 N -3.95 0.46 0.78 -0.62 2.02 -1.26 -3.15 118.70 112.99 1ajw s GLU 157 Ca 0.38 -1.01 -0.11 0.00 0.02 0.00 0.00 54.97 54.26 1ajw s GLU 157 Cb 0.03 -1.39 0.07 0.00 0.10 0.00 0.00 34.13 32.95 1ajw s GLU 157 CO 0.21 -1.10 1.14 0.12 0.02 0.00 0.00 175.26 175.65 1ajw s PHE 158 N 1.52 2.95 -0.20 1.61 5.36 -0.07 -4.88 117.98 124.27 1ajw s PHE 158 Ca 0.13 0.68 -0.04 0.00 -0.96 0.00 0.00 56.93 56.75 1ajw s PHE 158 Cb -0.20 -3.41 0.10 0.00 -0.34 0.00 0.00 43.02 39.17 1ajw s PHE 158 CO -0.18 -1.67 0.26 -0.51 -1.46 0.00 0.00 175.22 171.66 1ajw s LEU 159 N -5.49 -0.26 0.26 6.12 1.43 -1.26 -2.42 118.68 117.07 1ajw s LEU 159 Ca 0.61 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.41 1ajw s LEU 159 Cb -0.11 0.60 -0.09 0.00 0.03 0.00 0.00 46.19 46.62 1ajw s LEU 159 CO 0.48 -0.31 1.01 0.42 0.23 0.00 0.00 176.35 178.18 1ajw s THR 160 N 2.39 3.83 0.93 5.49 -4.23 0.22 -4.93 115.64 119.34 1ajw s THR 160 Ca 0.07 1.85 -0.11 0.00 -1.18 0.00 0.00 61.69 62.32 1ajw s THR 160 Cb -0.15 -4.17 0.15 0.00 1.34 0.00 0.00 72.50 69.66 1ajw s THR 160 CO -0.12 0.44 1.10 -2.16 -0.54 0.00 0.00 174.62 173.33 1ajw s PRO 161 N -1.29 0.95 -0.86 3.99 0.04 -1.26 -3.35 135.00 133.22 1ajw s PRO 161 Ca 0.42 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 62.33 1ajw s PRO 161 Cb -0.28 -1.75 -0.17 0.00 0.04 0.00 0.00 34.50 32.34 1ajw s PRO 161 CO 0.36 -2.54 2.34 0.00 0.04 0.00 0.00 177.00 177.19 1ajw n MET 162 N -4.13 0.44 -0.28 4.56 0.00 -1.18 -4.38 117.12 112.14 1ajw n MET 162 Ca 0.08 -1.02 -0.04 0.00 0.00 0.00 0.00 57.70 56.71 1ajw n MET 162 Cb 0.54 -3.68 0.03 0.00 0.00 0.00 0.00 33.22 30.11 1ajw n MET 162 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1ajw n GLU 163 N 8.56 -0.27 -4.33 3.17 2.13 0.43 -4.35 120.64 125.98 1ajw n GLU 163 Ca 0.46 -0.31 -0.21 0.00 0.66 0.00 0.00 57.16 57.76 1ajw n GLU 163 Cb 0.43 -0.21 -0.11 0.00 0.27 0.00 0.00 31.44 31.82 1ajw n GLU 163 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1ajw s GLU 164 N -3.44 1.27 0.25 5.31 1.03 -1.26 0.12 118.70 121.98 1ajw s GLU 164 Ca 0.11 -1.42 0.05 0.00 0.03 0.00 0.00 54.97 53.74 1ajw s GLU 164 Cb -0.00 -1.27 -0.03 0.00 -0.80 0.00 0.00 34.13 32.03 1ajw s GLU 164 CO 0.08 0.25 0.36 0.00 -1.33 0.00 0.00 175.26 174.62 1ajw s ALA 165 N -2.20 3.93 -0.22 -0.84 0.00 -1.11 -4.87 121.76 116.46 1ajw s ALA 165 Ca 0.16 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 1ajw s ALA 165 Cb -0.05 -1.68 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 1ajw s ALA 165 CO 0.06 0.21 1.39 -1.25 0.00 0.00 0.00 175.76 176.18 1ajw s PRO 166 N -3.99 4.01 0.02 0.00 0.04 -1.24 -4.28 135.00 129.56 1ajw s PRO 166 Ca 0.35 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1ajw s PRO 166 Cb -0.09 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1ajw s PRO 166 CO 0.29 -1.00 0.01 0.36 0.04 0.00 0.00 177.00 176.69 1ajw n LYS 167 N 7.15 1.66 0.00 4.56 2.85 -0.73 -4.48 118.16 129.17 1ajw n LYS 167 Ca 0.16 -0.14 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1ajw n LYS 167 Cb 0.45 0.02 0.00 0.00 -0.65 0.00 0.00 35.03 34.86 1ajw n LYS 167 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ajw n GLY 168 N 4.75 1.92 5.00 2.58 0.00 -1.26 -4.30 105.19 113.88 1ajw n GLY 168 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ajw n GLY 168 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ajw n MET 169 N -0.52 0.00 0.11 1.61 1.56 -1.26 -4.02 117.12 114.60 1ajw n MET 169 Ca 0.00 0.00 0.16 0.00 -0.27 0.00 0.00 57.70 57.59 1ajw n MET 169 Cb 0.00 0.00 0.70 0.00 2.15 0.00 0.00 33.22 36.07 1ajw n MET 169 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1ajw h LEU 170 N 0.00 0.00 -2.53 -0.89 7.12 -1.98 -0.25 115.31 116.79 1ajw h LEU 170 Ca 0.00 0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.02 1ajw h LEU 170 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1ajw h LEU 170 CO 0.00 0.00 0.13 0.00 -0.13 0.00 0.00 178.44 178.44 1ajw h ALA 171 N 1.82 1.32 -2.85 1.25 0.00 -1.75 -3.42 119.26 115.62 1ajw h ALA 171 Ca 0.15 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.53 1ajw h ALA 171 Cb 0.63 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.51 1ajw h ALA 171 CO -0.00 -0.15 0.84 1.03 0.00 0.00 0.00 179.25 180.97 1ajw s ARG 172 N -4.29 4.12 0.00 0.00 0.52 -0.11 -4.76 118.95 114.43 1ajw s ARG 172 Ca -0.05 2.57 0.00 0.00 -0.52 0.00 0.00 55.73 57.73 1ajw s ARG 172 Cb 0.13 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.59 1ajw s ARG 172 CO 0.42 -0.59 0.00 0.41 0.02 0.00 0.00 175.30 175.56 1ajw n GLY 173 N 1.56 0.71 3.80 -3.53 0.00 -1.18 -4.89 105.19 101.66 1ajw n GLY 173 Ca 0.06 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 1ajw n GLY 173 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ajw s SER 174 N -2.59 6.87 -0.17 1.61 1.04 -1.26 -0.22 113.70 118.99 1ajw s SER 174 Ca 0.00 1.04 -0.00 0.00 0.48 0.00 0.00 55.95 57.47 1ajw s SER 174 Cb 0.00 -2.30 0.04 0.00 0.10 0.00 0.00 66.02 63.87 1ajw s SER 174 CO 0.00 0.24 -0.06 -0.31 0.98 0.00 0.00 173.24 174.09 1ajw s TYR 175 N -0.75 1.83 0.69 5.02 1.51 0.19 -4.51 117.35 121.34 1ajw s TYR 175 Ca 0.26 -1.18 -0.17 0.00 -1.01 0.00 0.00 57.07 54.98 1ajw s TYR 175 Cb -0.17 -1.37 0.02 0.00 -0.11 0.00 0.00 41.96 40.32 1ajw s TYR 175 CO 0.15 -0.64 1.27 -0.80 -1.11 0.00 0.00 175.55 174.41 1ajw s ASN 176 N 1.59 4.31 -0.34 2.29 -0.87 0.14 0.10 114.94 122.16 1ajw s ASN 176 Ca 0.00 2.54 0.00 0.00 -1.57 0.00 0.00 52.86 53.83 1ajw s ASN 176 Cb -0.15 -2.61 0.11 0.00 -0.02 0.00 0.00 41.25 38.58 1ajw s ASN 176 CO -0.08 -2.20 0.13 -0.63 -2.57 0.00 0.00 177.10 171.76 1ajw s ILE 177 N -1.63 1.00 -0.66 0.60 -1.09 0.12 -0.13 121.20 119.42 1ajw s ILE 177 Ca 0.80 -1.71 -0.26 0.00 -2.23 0.00 0.00 60.65 57.25 1ajw s ILE 177 Cb -0.35 -1.74 0.04 0.00 -1.58 0.00 0.00 42.46 38.83 1ajw s ILE 177 CO 0.43 -0.74 1.15 -0.75 -1.23 0.00 0.00 174.94 173.80 1ajw s LYS 178 N 1.28 3.28 -0.10 2.79 2.20 -0.49 -3.11 119.74 125.59 1ajw s LYS 178 Ca 0.12 -0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.50 1ajw s LYS 178 Cb -0.19 -4.13 -0.03 0.00 -1.51 0.00 0.00 37.83 31.97 1ajw s LYS 178 CO -0.17 -1.87 -0.05 -1.54 -0.36 0.00 0.00 175.35 171.36 1ajw s SER 179 N 3.39 4.81 -0.33 1.43 1.04 -1.19 0.56 113.70 123.42 1ajw s SER 179 Ca 0.34 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.76 1ajw s SER 179 Cb -0.10 -1.41 0.10 0.00 0.10 0.00 0.00 66.02 64.71 1ajw s SER 179 CO 0.17 0.31 0.09 -0.60 0.98 0.00 0.00 173.24 174.19 1ajw s ARG 180 N -0.49 1.02 -0.20 4.02 3.52 -0.94 -2.42 118.95 123.46 1ajw s ARG 180 Ca 0.08 -1.42 -0.29 0.00 -0.13 0.00 0.00 55.73 53.97 1ajw s ARG 180 Cb -0.12 -2.46 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 1ajw s ARG 180 CO 0.02 -0.98 1.09 0.12 -0.81 0.00 0.00 175.30 174.75 1ajw s PHE 181 N 1.29 3.23 0.00 5.12 5.36 -0.52 -3.14 117.98 129.31 1ajw s PHE 181 Ca 0.11 1.36 0.00 0.00 -0.96 0.00 0.00 56.93 57.44 1ajw s PHE 181 Cb -0.18 -3.32 0.00 0.00 -0.34 0.00 0.00 43.02 39.17 1ajw s PHE 181 CO -0.18 -0.78 0.00 -2.37 -1.46 0.00 0.00 175.22 170.43 1ajw n THR 182 N 5.28 0.00 -3.53 0.12 5.66 -1.18 -2.10 114.28 118.52 1ajw n THR 182 Ca 0.12 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.01 1ajw n THR 182 Cb 0.46 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.21 1ajw n THR 182 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1ajw s ASP 183 N 0.12 -0.43 -1.03 1.09 -4.77 -1.25 -1.33 116.67 109.07 1ajw s ASP 183 Ca 0.00 -0.16 -0.07 0.00 -3.30 0.00 0.00 52.55 49.03 1ajw s ASP 183 Cb 0.00 0.57 -0.02 0.00 -1.09 0.00 0.00 42.92 42.38 1ajw s ASP 183 CO 0.00 -0.96 2.85 0.47 0.70 0.00 0.00 175.17 178.23 1ajw n ASP 184 N -0.34 7.51 0.00 2.11 9.92 -0.97 -4.04 116.55 130.73 1ajw n ASP 184 Ca -0.16 -2.87 0.00 0.00 -0.53 0.00 0.00 54.79 51.24 1ajw n ASP 184 Cb 0.64 -1.41 0.00 0.00 -0.64 0.00 0.00 41.12 39.71 1ajw n ASP 184 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ajw n ASP 185 N 2.27 1.43 0.00 -2.24 2.03 -1.26 -4.88 116.55 113.89 1ajw n ASP 185 Ca 0.62 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.93 1ajw n ASP 185 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1ajw n ASP 185 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ajw n ARG 186 N -2.10 0.00 0.00 -0.67 5.12 -1.26 -5.18 116.66 112.57 1ajw n ARG 186 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1ajw n ARG 186 Cb 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.52 1ajw n ARG 186 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1ajw n THR 187 N -1.35 0.00 -2.48 0.55 5.66 -1.26 -5.06 114.28 110.34 1ajw n THR 187 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1ajw n THR 187 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1ajw n THR 187 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1ajw s ASP 188 N 1.54 7.08 -0.03 1.09 1.01 -1.26 -3.88 116.67 122.22 1ajw s ASP 188 Ca 0.00 1.83 -0.24 0.00 0.71 0.00 0.00 52.55 54.85 1ajw s ASP 188 Cb 0.00 -2.56 -0.21 0.00 1.01 0.00 0.00 42.92 41.16 1ajw s ASP 188 CO 0.00 -0.54 1.13 0.45 0.21 0.00 0.00 175.17 176.42 1ajw h HIS 189 N 7.31 0.23 -1.71 4.23 3.86 -1.73 -3.48 115.15 123.86 1ajw h HIS 189 Ca -0.35 -0.10 0.09 0.00 -1.16 0.00 0.00 60.37 58.84 1ajw h HIS 189 Cb 1.17 -0.04 -0.21 0.00 1.06 0.00 0.00 27.41 29.39 1ajw h HIS 189 CO 0.72 0.81 0.53 -1.17 0.86 0.00 0.00 177.93 179.68 1ajw s LEU 190 N -8.77 -0.37 0.01 2.43 2.96 -1.05 -4.98 118.68 108.91 1ajw s LEU 190 Ca -0.16 0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 53.95 1ajw s LEU 190 Cb 0.02 1.90 0.02 0.00 0.50 0.00 0.00 46.19 48.63 1ajw s LEU 190 CO 0.73 -0.40 0.26 -0.55 -1.32 0.00 0.00 176.35 175.07 1ajw s SER 191 N -1.40 -0.10 0.00 3.68 0.15 -1.26 -1.44 113.70 113.33 1ajw s SER 191 Ca -0.00 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1ajw s SER 191 Cb -0.01 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1ajw s SER 191 CO -0.00 -0.50 0.00 -2.67 1.20 0.00 0.00 173.24 171.27 1ajw n TRP 192 N 1.01 -0.02 -3.65 3.44 2.14 -1.02 -5.02 117.44 114.32 1ajw n TRP 192 Ca -0.20 0.00 -0.03 0.00 2.07 0.00 0.00 57.50 59.33 1ajw n TRP 192 Cb 0.57 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.02 1ajw n TRP 192 CO 0.00 0.00 0.00 -2.00 2.07 0.00 0.00 177.69 177.76 1ajw s GLU 193 N 0.63 0.59 0.06 -2.67 2.12 -1.26 -3.14 118.70 115.03 1ajw s GLU 193 Ca 0.00 1.35 0.04 0.00 0.36 0.00 0.00 54.97 56.72 1ajw s GLU 193 Cb 0.00 0.62 -0.03 0.00 0.26 0.00 0.00 34.13 34.98 1ajw s GLU 193 CO 0.00 -0.19 -0.12 1.67 -0.54 0.00 0.00 175.26 176.08 1ajw s TRP 194 N 2.51 1.04 0.34 5.30 1.48 -1.18 -4.47 118.94 123.95 1ajw s TRP 194 Ca -0.07 -0.45 -0.12 0.00 -1.06 0.00 0.00 56.10 54.41 1ajw s TRP 194 Cb -0.10 -0.60 -0.07 0.00 -1.16 0.00 0.00 33.47 31.54 1ajw s TRP 194 CO -0.19 0.01 0.71 -0.80 -4.06 0.00 0.00 176.95 172.62 1ajw s ASN 195 N -1.59 6.62 -0.26 -2.66 0.01 -1.26 0.16 114.94 115.96 1ajw s ASN 195 Ca -0.04 1.12 0.02 0.00 -0.71 0.00 0.00 52.86 53.26 1ajw s ASN 195 Cb -0.10 -2.31 0.06 0.00 0.41 0.00 0.00 41.25 39.32 1ajw s ASN 195 CO 0.02 -0.26 -0.07 -0.22 -1.51 0.00 0.00 177.10 175.05 1ajw s LEU 196 N -3.36 3.27 0.14 0.60 2.96 0.29 -3.22 118.68 119.36 1ajw s LEU 196 Ca 0.51 -1.41 -0.23 0.00 -0.22 0.00 0.00 54.13 52.78 1ajw s LEU 196 Cb -0.10 -1.43 -0.08 0.00 0.50 0.00 0.00 46.19 45.08 1ajw s LEU 196 CO 0.25 -0.23 0.71 -0.89 -1.32 0.00 0.00 176.35 174.87 1ajw s THR 197 N 1.18 4.49 0.29 3.68 2.01 0.79 0.53 115.64 128.61 1ajw s THR 197 Ca -0.06 1.53 0.12 0.00 0.31 0.00 0.00 61.69 63.59 1ajw s THR 197 Cb -0.19 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 1ajw s THR 197 CO -0.06 0.51 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.57 1ajw s ILE 198 N -1.16 2.49 0.00 1.82 -1.09 0.70 -0.23 121.20 123.73 1ajw s ILE 198 Ca 0.34 -2.37 0.00 0.00 -2.23 0.00 0.00 60.65 56.39 1ajw s ILE 198 Cb -0.22 -2.36 0.00 0.00 -1.58 0.00 0.00 42.46 38.31 1ajw s ILE 198 CO 0.24 -0.38 0.00 1.17 -1.23 0.00 0.00 174.94 174.74 1ajw n LYS 199 N -0.65 0.00 0.00 2.79 4.81 0.31 -3.13 118.16 122.29 1ajw n LYS 199 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1ajw n LYS 199 Cb 0.60 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.65 1ajw n LYS 199 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1ajw n LYS 200 N 0.00 1.33 -2.68 1.64 2.85 -1.26 -0.17 118.16 119.87 1ajw n LYS 200 Ca 0.00 -0.22 -0.04 0.00 -1.05 0.00 0.00 58.31 57.00 1ajw n LYS 200 Cb 0.00 -0.66 0.13 0.00 -0.65 0.00 0.00 35.03 33.84 1ajw n LYS 200 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1ajw n GLU 201 N -0.25 1.30 0.22 -1.58 4.07 -1.26 -4.85 120.64 118.29 1ajw n GLU 201 Ca 0.00 -1.45 0.18 0.00 -0.06 0.00 0.00 57.16 55.83 1ajw n GLU 201 Cb 0.05 0.24 0.81 0.00 -0.06 0.00 0.00 31.44 32.48 1ajw n GLU 201 CO 0.00 0.00 0.00 0.11 -0.06 0.00 0.00 177.13 177.18 1ajw h TRP 202 N 1.39 0.00 -1.55 4.31 5.08 -1.89 -1.58 115.95 121.71 1ajw h TRP 202 Ca -0.38 0.00 -0.68 0.00 1.08 0.00 0.00 58.89 58.91 1ajw h TRP 202 Cb 1.30 0.00 -0.33 0.00 -3.00 0.00 0.00 29.16 27.12 1ajw h TRP 202 CO 0.01 0.00 0.30 0.36 -1.28 0.00 0.00 178.44 177.83 1ajw n LYS 203 N -3.36 3.03 0.00 0.12 2.85 -1.26 -4.80 118.16 114.74 1ajw n LYS 203 Ca 0.02 -3.84 0.16 0.00 -1.05 0.00 0.00 58.31 53.60 1ajw n LYS 203 Cb 0.45 -2.27 0.95 0.00 -0.65 0.00 0.00 35.03 33.51 1ajw n LYS 203 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88