#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 0.30 -1.90 0.00 3.14 -1.26 -5.03 118.33 113.58 1ajw n VAL 61 Ca 0.00 -0.26 -0.30 0.00 -2.96 0.00 0.00 64.34 60.82 1ajw n VAL 61 Cb 0.00 -0.34 0.18 0.00 -1.06 0.00 0.00 33.84 32.62 1ajw n VAL 61 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1ajw s SER 62 N -3.52 3.19 -0.38 6.55 0.01 -1.26 -5.05 113.70 113.24 1ajw s SER 62 Ca -0.03 0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.58 1ajw s SER 62 Cb 0.03 -0.43 0.11 0.00 0.21 0.00 0.00 66.02 65.95 1ajw s SER 62 CO 0.32 -2.69 0.14 0.00 0.41 0.00 0.00 173.24 171.42 1ajw s ALA 63 N -3.83 2.50 0.31 1.44 0.00 -1.26 -5.08 121.76 115.84 1ajw s ALA 63 Ca 0.73 -2.47 0.00 0.00 0.00 0.00 0.00 51.96 50.21 1ajw s ALA 63 Cb -0.05 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1ajw s ALA 63 CO 0.53 -1.82 0.00 -0.25 0.00 0.00 0.00 175.76 174.22 1ajw n ASP 64 N 4.05 -6.56 -0.04 0.00 8.00 -1.26 -4.52 116.55 116.23 1ajw n ASP 64 Ca 0.04 0.60 -0.13 0.00 0.71 0.00 0.00 54.79 56.00 1ajw n ASP 64 Cb 0.39 -3.67 -0.11 0.00 -0.02 0.00 0.00 41.12 37.70 1ajw n ASP 64 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1ajw h PRO 65 N -1.15 0.01 -5.45 -0.24 0.13 -2.07 -3.49 132.00 119.74 1ajw h PRO 65 Ca -0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1ajw h PRO 65 Cb 1.27 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.34 1ajw h PRO 65 CO 0.02 0.70 -1.05 -1.71 -0.23 0.00 0.00 178.00 175.72 1ajw n ASN 66 N -4.75 -4.09 -2.94 1.44 5.15 -1.26 -5.03 115.26 103.78 1ajw n ASN 66 Ca -0.09 1.18 -0.01 0.00 -0.60 0.00 0.00 54.58 55.06 1ajw n ASN 66 Cb 0.35 -4.03 0.00 0.00 -0.53 0.00 0.00 39.78 35.57 1ajw n ASN 66 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ajw s VAL 67 N -0.71 -0.85 0.82 3.44 0.11 -1.26 -5.16 120.40 116.79 1ajw s VAL 67 Ca -0.14 -0.42 -0.11 0.00 -2.93 0.00 0.00 61.98 58.38 1ajw s VAL 67 Cb 0.01 0.00 0.08 0.00 -1.53 0.00 0.00 36.38 34.94 1ajw s VAL 67 CO 0.53 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 171.23 1ajw s PRO 68 N 1.39 1.92 0.00 1.54 0.04 -1.26 -5.04 135.00 133.59 1ajw s PRO 68 Ca 0.22 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1ajw s PRO 68 Cb -0.00 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1ajw s PRO 68 CO -0.07 -1.78 0.00 -1.71 0.04 0.00 0.00 177.00 173.47 1ajw n ASN 69 N -3.57 0.00 -1.14 6.66 5.15 -1.26 -4.73 115.26 116.37 1ajw n ASN 69 Ca 0.07 0.03 -0.02 0.00 -0.60 0.00 0.00 54.58 54.06 1ajw n ASN 69 Cb 0.55 -0.41 0.14 0.00 -0.53 0.00 0.00 39.78 39.53 1ajw n ASN 69 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1ajw n VAL 70 N -2.28 2.07 -1.89 3.44 0.31 -1.24 -3.21 118.33 115.53 1ajw n VAL 70 Ca 0.00 -3.30 -0.34 0.00 -0.01 0.00 0.00 64.34 60.69 1ajw n VAL 70 Cb 0.00 -0.31 0.04 0.00 -0.91 0.00 0.00 33.84 32.65 1ajw n VAL 70 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ajw s VAL 71 N -3.34 3.15 0.25 2.52 1.01 -1.25 -4.79 120.40 117.96 1ajw s VAL 71 Ca 0.41 0.59 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 1ajw s VAL 71 Cb 0.38 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 1ajw s VAL 71 CO -0.05 -0.28 1.29 -0.69 0.00 0.00 0.00 175.10 175.38 1ajw s VAL 72 N -2.14 3.05 -0.20 2.92 1.01 -1.26 -3.25 120.40 120.52 1ajw s VAL 72 Ca 0.69 0.94 -0.05 0.00 0.00 0.00 0.00 61.98 63.56 1ajw s VAL 72 Cb -0.22 -3.60 -0.20 0.00 0.00 0.00 0.00 36.38 32.36 1ajw s VAL 72 CO 0.37 0.18 0.02 0.35 0.00 0.00 0.00 175.10 176.02 1ajw n THR 73 N 1.87 1.61 -3.76 3.92 -2.24 0.11 -4.38 114.28 111.42 1ajw n THR 73 Ca 0.03 -0.54 -0.05 0.00 -2.27 0.00 0.00 64.05 61.22 1ajw n THR 73 Cb 0.42 -1.64 -0.02 0.00 -2.10 0.00 0.00 70.33 67.00 1ajw n THR 73 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ajw s ARG 74 N -2.52 1.38 -0.03 -0.78 0.52 -0.98 -2.83 118.95 113.70 1ajw s ARG 74 Ca -0.30 -0.74 0.02 0.00 -0.52 0.00 0.00 55.73 54.19 1ajw s ARG 74 Cb 0.08 0.48 0.01 0.00 0.52 0.00 0.00 34.95 36.04 1ajw s ARG 74 CO 0.65 -0.63 -0.07 -1.17 0.02 0.00 0.00 175.30 174.11 1ajw s LEU 75 N -2.90 1.70 0.23 2.53 0.20 -0.48 -1.61 118.68 118.35 1ajw s LEU 75 Ca 0.11 -0.15 0.11 0.00 0.69 0.00 0.00 54.13 54.89 1ajw s LEU 75 Cb -0.03 -0.46 -0.05 0.00 -0.43 0.00 0.00 46.19 45.22 1ajw s LEU 75 CO 0.03 0.03 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.03 1ajw s THR 76 N 0.34 2.22 -0.37 3.68 2.01 -1.15 0.10 115.64 122.46 1ajw s THR 76 Ca -0.05 -2.24 0.00 0.00 0.31 0.00 0.00 61.69 59.72 1ajw s THR 76 Cb -0.09 -2.16 0.12 0.00 0.01 0.00 0.00 72.50 70.39 1ajw s THR 76 CO 0.00 -0.38 0.18 -0.76 -0.69 0.00 0.00 174.62 172.97 1ajw s LEU 77 N -3.21 2.13 0.21 4.42 1.43 -1.06 -2.40 118.68 120.20 1ajw s LEU 77 Ca 0.25 -2.15 -0.28 0.00 -1.03 0.00 0.00 54.13 50.92 1ajw s LEU 77 Cb -0.05 -0.83 -0.09 0.00 0.03 0.00 0.00 46.19 45.26 1ajw s LEU 77 CO 0.11 -0.33 0.87 -0.69 0.23 0.00 0.00 176.35 176.54 1ajw s VAL 78 N 0.99 4.20 0.00 -1.59 1.01 -1.06 -3.26 120.40 120.69 1ajw s VAL 78 Ca 0.15 1.92 0.00 0.00 0.00 0.00 0.00 61.98 64.04 1ajw s VAL 78 Cb -0.21 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1ajw s VAL 78 CO -0.10 0.49 0.00 0.00 0.00 0.00 0.00 175.10 175.49 1ajw n SER 80 N -0.70 0.00 -2.06 0.00 3.41 -1.26 -4.77 113.62 108.23 1ajw n SER 80 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1ajw n SER 80 Cb 0.00 -0.16 0.13 0.00 -0.26 0.00 0.00 64.21 63.92 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 -2.17 2.97 -2.27 6.66 -2.24 -1.26 -4.95 114.28 111.02 1ajw n THR 81 Ca 0.00 -1.83 -0.11 0.00 -2.27 0.00 0.00 64.05 59.84 1ajw n THR 81 Cb 0.00 -0.73 0.06 0.00 -2.10 0.00 0.00 70.33 67.57 1ajw n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ajw n ALA 82 N -0.78 -0.03 0.08 6.98 0.00 -1.26 -4.58 120.51 120.91 1ajw n ALA 82 Ca 0.51 -0.92 -0.05 0.00 0.00 0.00 0.00 53.44 52.98 1ajw n ALA 82 Cb 1.27 0.12 -0.08 0.00 0.00 0.00 0.00 19.45 20.76 1ajw n ALA 82 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ajw h PRO 83 N 0.00 0.00 0.00 0.00 0.13 -1.92 -3.50 132.00 126.71 1ajw h PRO 83 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1ajw h PRO 83 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1ajw h PRO 83 CO 0.17 0.88 0.00 0.41 -0.23 0.00 0.00 178.00 179.23 1ajw n GLY 84 N 1.31 -2.36 3.59 1.56 0.00 -1.26 -5.07 105.19 102.95 1ajw n GLY 84 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.89 3.35 -0.44 1.61 0.04 -1.26 -4.78 135.00 131.64 1ajw s PRO 85 Ca 0.00 1.04 -0.28 0.00 0.04 0.00 0.00 61.00 61.80 1ajw s PRO 85 Cb 0.00 -4.14 -0.01 0.00 0.04 0.00 0.00 34.50 30.39 1ajw s PRO 85 CO 0.00 -1.84 1.63 -0.51 0.04 0.00 0.00 177.00 176.32 1ajw s LEU 86 N 6.45 3.47 0.28 -3.56 1.43 -1.20 -4.62 118.68 120.93 1ajw s LEU 86 Ca 0.68 0.83 -0.20 0.00 -1.03 0.00 0.00 54.13 54.41 1ajw s LEU 86 Cb -0.17 -3.27 -0.09 0.00 0.03 0.00 0.00 46.19 42.69 1ajw s LEU 86 CO 0.31 -1.75 0.79 -1.61 0.23 0.00 0.00 176.35 174.32 1ajw s GLU 87 N 5.67 4.25 -0.00 1.70 2.02 -1.25 -2.56 118.70 128.52 1ajw s GLU 87 Ca 0.68 0.93 0.04 0.00 0.02 0.00 0.00 54.97 56.63 1ajw s GLU 87 Cb -0.16 -2.69 -0.01 0.00 0.10 0.00 0.00 34.13 31.36 1ajw s GLU 87 CO 0.30 0.28 -0.12 -1.17 0.02 0.00 0.00 175.26 174.56 1ajw s LEU 88 N -2.34 2.04 -0.13 1.80 0.20 0.28 -4.89 118.68 115.64 1ajw s LEU 88 Ca 0.49 -0.25 -0.17 0.00 0.69 0.00 0.00 54.13 54.89 1ajw s LEU 88 Cb -0.15 -0.60 -0.04 0.00 -0.43 0.00 0.00 46.19 44.97 1ajw s LEU 88 CO 0.20 0.13 0.42 -0.62 -0.29 0.00 0.00 176.35 176.18 1ajw s ASP 89 N -0.40 6.60 -0.37 3.68 2.15 -1.26 -1.38 116.67 125.70 1ajw s ASP 89 Ca 0.04 0.71 0.13 0.00 0.43 0.00 0.00 52.55 53.87 1ajw s ASP 89 Cb -0.05 -2.25 0.39 0.00 -0.30 0.00 0.00 42.92 40.71 1ajw s ASP 89 CO -0.00 0.03 0.84 0.18 -0.17 0.00 0.00 175.17 176.05 1ajw n LEU 90 N 3.63 1.46 0.00 -1.34 4.77 -1.13 -4.81 117.00 119.59 1ajw n LEU 90 Ca -0.09 -4.62 0.00 0.00 -0.03 0.00 0.00 56.01 51.27 1ajw n LEU 90 Cb 0.52 0.48 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1ajw n LEU 90 CO 0.42 2.04 0.00 0.35 -1.33 0.00 0.00 177.39 178.87 1ajw n THR 91 N 0.09 0.00 0.00 -5.08 -2.24 -1.26 -4.30 114.28 101.49 1ajw n THR 91 Ca 0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1ajw n THR 91 Cb 0.70 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.09 1.00 3.48 3.38 0.00 -1.26 -4.94 105.19 106.94 1ajw n GLY 92 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1ajw n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ajw s ASP 93 N -1.00 5.09 0.05 1.61 1.01 -1.26 -4.97 116.67 117.20 1ajw s ASP 93 Ca 0.00 -0.15 0.19 0.00 0.71 0.00 0.00 52.55 53.30 1ajw s ASP 93 Cb 0.00 -1.89 -0.15 0.00 1.01 0.00 0.00 42.92 41.89 1ajw s ASP 93 CO 0.00 0.05 0.73 0.18 0.21 0.00 0.00 175.17 176.34 1ajw n LEU 94 N 4.34 0.62 0.20 1.23 4.77 -1.26 -4.13 117.00 122.77 1ajw n LEU 94 Ca -0.17 0.26 0.18 0.00 -0.03 0.00 0.00 56.01 56.26 1ajw n LEU 94 Cb 0.52 0.08 0.76 0.00 -2.33 0.00 0.00 43.42 42.46 1ajw n LEU 94 CO 0.32 0.09 1.15 -0.08 -1.33 0.00 0.00 177.39 177.55 1ajw h GLU 95 N 0.00 0.00 0.00 3.23 4.57 -1.96 -0.74 114.58 119.68 1ajw h GLU 95 Ca -0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1ajw h GLU 95 Cb 1.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.04 1ajw h GLU 95 CO 0.03 0.00 0.11 1.03 -1.18 0.00 0.00 179.01 179.00 1ajw h SER 96 N 0.00 0.00 0.47 1.04 0.87 -1.97 -2.79 113.55 111.16 1ajw h SER 96 Ca 0.11 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1ajw h SER 96 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1ajw h SER 96 CO -0.00 0.00 -0.22 -0.26 -0.53 0.00 0.00 176.83 175.82 1ajw h PHE 97 N 0.00 -0.58 -0.00 2.24 0.04 -1.41 -2.45 116.94 114.77 1ajw h PHE 97 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1ajw h PHE 97 Cb 0.22 0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 1ajw h PHE 97 CO 0.00 -0.30 0.09 1.57 -0.60 0.00 0.00 178.31 179.07 1ajw h LYS 98 N -0.75 0.00 -0.89 1.51 2.10 -1.69 -0.61 116.57 116.23 1ajw h LYS 98 Ca -0.06 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.30 1ajw h LYS 98 Cb 0.54 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.70 1ajw h LYS 98 CO 0.11 0.00 0.37 1.17 -2.00 0.00 0.00 179.45 179.09 1ajw n LYS 99 N -3.03 2.70 -3.59 0.07 4.81 -0.93 -4.93 118.16 113.27 1ajw n LYS 99 Ca -0.03 -2.49 -0.06 0.00 -0.87 0.00 0.00 58.31 54.86 1ajw n LYS 99 Cb 0.15 -2.01 -0.02 0.00 0.02 0.00 0.00 35.03 33.17 1ajw n LYS 99 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1ajw s GLN 100 N -2.61 0.80 -0.28 1.64 0.74 -0.24 -5.05 119.66 114.66 1ajw s GLN 100 Ca 0.46 -0.36 -0.17 0.00 0.05 0.00 0.00 55.36 55.34 1ajw s GLN 100 Cb 0.37 0.33 0.10 0.00 1.10 0.00 0.00 33.01 34.92 1ajw s GLN 100 CO 0.10 -0.36 0.80 -1.54 -0.55 0.00 0.00 175.29 173.74 1ajw s SER 101 N -2.59 -0.77 -0.01 6.67 1.04 -1.26 -4.06 113.70 112.71 1ajw s SER 101 Ca 0.08 1.26 -0.30 0.00 0.48 0.00 0.00 55.95 57.47 1ajw s SER 101 Cb -0.01 1.31 -0.05 0.00 0.10 0.00 0.00 66.02 67.38 1ajw s SER 101 CO -0.05 -0.20 1.25 -0.36 0.98 0.00 0.00 173.24 174.86 1ajw s PHE 102 N 1.40 3.17 -0.21 5.02 0.08 -1.21 -4.56 117.98 121.67 1ajw s PHE 102 Ca -0.08 1.13 -0.22 0.00 0.12 0.00 0.00 56.93 57.88 1ajw s PHE 102 Cb -0.05 -3.49 -0.02 0.00 -0.57 0.00 0.00 43.02 38.90 1ajw s PHE 102 CO -0.16 -1.61 0.71 0.08 -0.10 0.00 0.00 175.22 174.14 1ajw s VAL 103 N 1.92 4.95 0.00 -0.44 1.01 -1.25 -0.33 120.40 126.27 1ajw s VAL 103 Ca 0.59 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.92 1ajw s VAL 103 Cb -0.28 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1ajw s VAL 103 CO 0.25 0.04 0.00 0.18 0.00 0.00 0.00 175.10 175.57 1ajw n LEU 104 N 5.38 0.00 -4.33 3.92 4.77 0.30 -4.94 117.00 122.10 1ajw n LEU 104 Ca 0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.80 1ajw n LEU 104 Cb 0.49 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.47 1ajw n LEU 104 CO 0.45 -0.12 -0.46 -0.75 -1.33 0.00 0.00 177.39 175.18 1ajw s LYS 105 N -1.88 1.27 -0.47 3.23 2.20 -1.26 0.23 119.74 123.04 1ajw s LYS 105 Ca 0.00 -1.47 -0.45 0.00 -0.36 0.00 0.00 55.97 53.68 1ajw s LYS 105 Cb 0.00 -1.17 -0.19 0.00 -1.51 0.00 0.00 37.83 34.96 1ajw s LYS 105 CO 0.00 0.21 1.76 0.39 -0.36 0.00 0.00 175.35 177.36 1ajw n GLU 106 N -0.01 0.16 -3.78 4.03 1.02 0.10 -2.81 120.64 119.35 1ajw n GLU 106 Ca -0.11 0.05 -0.29 0.00 -0.02 0.00 0.00 57.16 56.80 1ajw n GLU 106 Cb 0.59 -1.59 0.01 0.00 -0.02 0.00 0.00 31.44 30.42 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 4.92 -1.15 3.92 0.62 0.00 -0.48 -4.87 105.19 108.16 1ajw n GLY 107 Ca 0.36 0.51 -0.29 0.00 0.00 0.00 0.00 46.02 46.60 1ajw n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ajw s VAL 108 N -3.19 5.29 -0.31 1.61 -7.23 -1.12 -4.53 120.40 110.92 1ajw s VAL 108 Ca 0.19 -0.38 -0.16 0.00 -1.81 0.00 0.00 61.98 59.82 1ajw s VAL 108 Cb -0.09 -3.68 -0.02 0.00 0.56 0.00 0.00 36.38 33.15 1ajw s VAL 108 CO 0.90 -0.01 0.41 -0.70 -0.31 0.00 0.00 175.10 175.40 1ajw s GLU 109 N -2.90 3.77 0.01 4.82 2.12 -1.26 0.87 118.70 126.13 1ajw s GLU 109 Ca 0.37 -0.15 -0.04 0.00 0.36 0.00 0.00 54.97 55.51 1ajw s GLU 109 Cb -0.12 -3.74 -0.01 0.00 0.26 0.00 0.00 34.13 30.52 1ajw s GLU 109 CO 0.28 -0.46 0.06 1.52 -0.54 0.00 0.00 175.26 176.12 1ajw s TYR 110 N 2.15 0.12 0.35 5.30 1.13 0.29 -4.58 117.35 122.12 1ajw s TYR 110 Ca 0.15 -0.27 0.08 0.00 -1.41 0.00 0.00 57.07 55.62 1ajw s TYR 110 Cb -0.16 -0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.56 1ajw s TYR 110 CO 0.11 -0.23 0.16 -0.98 -2.51 0.00 0.00 175.55 172.10 1ajw s ARG 111 N -1.32 2.36 0.08 -3.49 1.70 -0.99 0.11 118.95 117.40 1ajw s ARG 111 Ca -0.14 -1.59 0.07 0.00 -0.47 0.00 0.00 55.73 53.60 1ajw s ARG 111 Cb -0.08 -2.16 -0.03 0.00 -0.57 0.00 0.00 34.95 32.11 1ajw s ARG 111 CO 0.00 0.06 -0.19 0.42 -1.08 0.00 0.00 175.30 174.51 1ajw s ILE 112 N -2.45 1.57 -0.46 4.99 1.01 -1.21 -2.55 121.20 122.10 1ajw s ILE 112 Ca 0.39 -1.37 0.03 0.00 0.00 0.00 0.00 60.65 59.70 1ajw s ILE 112 Cb -0.02 -1.42 0.13 0.00 0.01 0.00 0.00 42.46 41.16 1ajw s ILE 112 CO 0.23 -0.01 0.21 -0.54 0.00 0.00 0.00 174.94 174.83 1ajw s LYS 113 N -1.63 1.65 0.19 2.79 1.02 -1.01 -0.66 119.74 122.09 1ajw s LYS 113 Ca 0.05 -2.26 -0.30 0.00 0.02 0.00 0.00 55.97 53.48 1ajw s LYS 113 Cb -0.09 -2.97 -0.08 0.00 -0.52 0.00 0.00 37.83 34.17 1ajw s LYS 113 CO 0.03 -1.09 1.17 0.42 -0.92 0.00 0.00 175.35 174.96 1ajw s ILE 114 N 0.17 3.61 -0.05 2.17 -1.09 -1.07 -2.93 121.20 122.01 1ajw s ILE 114 Ca 0.16 1.38 0.05 0.00 -2.23 0.00 0.00 60.65 60.01 1ajw s ILE 114 Cb -0.24 -3.88 -0.02 0.00 -1.58 0.00 0.00 42.46 36.74 1ajw s ILE 114 CO -0.03 0.24 -0.21 -0.44 -1.23 0.00 0.00 174.94 173.27 1ajw s SER 115 N -0.01 3.40 -0.06 3.58 0.01 -0.63 -0.55 113.70 119.43 1ajw s SER 115 Ca 0.51 -0.40 -0.25 0.00 1.31 0.00 0.00 55.95 57.11 1ajw s SER 115 Cb -0.32 -0.81 0.06 0.00 0.21 0.00 0.00 66.02 65.16 1ajw s SER 115 CO 0.37 0.28 0.57 0.72 0.41 0.00 0.00 173.24 175.59 1ajw s PHE 116 N -0.35 -0.53 -0.10 2.43 -0.71 -1.18 0.09 117.98 117.63 1ajw s PHE 116 Ca 0.02 0.94 -0.10 0.00 -1.04 0.00 0.00 56.93 56.76 1ajw s PHE 116 Cb -0.12 0.30 -0.05 0.00 -1.21 0.00 0.00 43.02 41.94 1ajw s PHE 116 CO 0.02 -0.52 0.22 0.50 -1.34 0.00 0.00 175.22 174.11 1ajw s ARG 117 N -1.06 3.72 -0.50 1.99 3.52 -1.20 -1.33 118.95 124.08 1ajw s ARG 117 Ca -0.11 0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.55 1ajw s ARG 117 Cb -0.02 -3.24 0.15 0.00 -1.56 0.00 0.00 34.95 30.28 1ajw s ARG 117 CO 0.07 0.66 0.33 0.08 -0.81 0.00 0.00 175.30 175.63 1ajw s VAL 118 N -0.75 1.50 -0.37 7.11 1.01 -1.19 -3.62 120.40 124.09 1ajw s VAL 118 Ca 0.17 -3.01 0.11 0.00 0.00 0.00 0.00 61.98 59.26 1ajw s VAL 118 Cb -0.13 -2.02 0.44 0.00 0.00 0.00 0.00 36.38 34.67 1ajw s VAL 118 CO 0.06 -1.01 1.05 -3.20 0.00 0.00 0.00 175.10 172.00 1ajw n ASN 119 N 2.97 3.24 0.00 3.32 5.15 -1.20 -3.84 115.26 124.91 1ajw n ASN 119 Ca 0.17 -3.21 0.00 0.00 -0.60 0.00 0.00 54.58 50.93 1ajw n ASN 119 Cb 0.38 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 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 -0.34 0.00 -4.36 1.20 0.00 -1.26 -4.60 116.66 107.29 1ajw n ARG 120 Ca 0.25 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.89 1ajw n ARG 120 Cb 0.76 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 33.11 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 -0.95 1.36 -0.65 -0.14 2.02 -1.26 -4.68 118.70 114.40 1ajw s GLU 121 Ca 0.00 -1.51 -0.28 0.00 0.02 0.00 0.00 54.97 53.21 1ajw s GLU 121 Cb 0.00 -1.39 0.03 0.00 0.10 0.00 0.00 34.13 32.87 1ajw s GLU 121 CO 0.00 0.27 1.23 0.42 0.02 0.00 0.00 175.26 177.20 1ajw s ILE 122 N -2.28 3.89 -0.62 -1.63 1.01 -1.26 -4.27 121.20 116.05 1ajw s ILE 122 Ca 0.20 0.67 -0.19 0.00 0.00 0.00 0.00 60.65 61.32 1ajw s ILE 122 Cb -0.05 -4.81 0.10 0.00 0.01 0.00 0.00 42.46 37.71 1ajw s ILE 122 CO 0.08 -1.57 0.76 -0.69 0.00 0.00 0.00 174.94 173.53 1ajw s VAL 123 N 5.28 4.75 -0.30 2.92 1.01 -1.13 -4.96 120.40 127.97 1ajw s VAL 123 Ca 0.39 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 1ajw s VAL 123 Cb -0.08 -4.53 -0.01 0.00 0.00 0.00 0.00 36.38 31.76 1ajw s VAL 123 CO 0.21 -1.20 0.66 -0.94 0.00 0.00 0.00 175.10 173.84 1ajw s SER 124 N 3.61 6.55 0.00 3.32 1.04 -1.26 -2.94 113.70 124.02 1ajw s SER 124 Ca 0.14 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1ajw s SER 124 Cb -0.22 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1ajw s SER 124 CO 0.06 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1ajw n GLY 125 N 4.33 0.64 3.69 7.32 0.00 -1.26 -4.10 105.19 115.81 1ajw n GLY 125 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.72 4.31 0.03 1.61 1.75 -0.97 0.49 119.30 127.24 1ajw s MET 126 Ca 0.00 1.82 0.09 0.00 -1.25 0.00 0.00 55.69 56.35 1ajw s MET 126 Cb 0.00 -3.57 -0.03 0.00 2.84 0.00 0.00 34.83 34.07 1ajw s MET 126 CO 0.00 -0.52 -0.26 0.21 -0.65 0.00 0.00 175.02 173.81 1ajw s LYS 127 N 2.33 1.87 -0.29 4.11 2.20 0.67 -0.19 119.74 130.45 1ajw s LYS 127 Ca 0.60 -1.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.17 1ajw s LYS 127 Cb -0.28 -2.01 0.07 0.00 -1.51 0.00 0.00 37.83 34.11 1ajw s LYS 127 CO 0.24 0.52 -0.05 -0.47 -0.36 0.00 0.00 175.35 175.23 1ajw s TYR 128 N -0.78 3.35 0.30 4.03 5.04 0.24 -2.90 117.35 126.64 1ajw s TYR 128 Ca 0.12 -2.51 0.07 0.00 -2.44 0.00 0.00 57.07 52.31 1ajw s TYR 128 Cb -0.10 -2.23 -0.02 0.00 0.35 0.00 0.00 41.96 39.95 1ajw s TYR 128 CO 0.02 -0.90 0.34 0.42 -1.34 0.00 0.00 175.55 174.09 1ajw s ILE 129 N 1.06 4.19 -0.18 3.14 1.01 -1.20 -0.97 121.20 128.25 1ajw s ILE 129 Ca -0.02 -1.20 -0.16 0.00 0.00 0.00 0.00 60.65 59.27 1ajw s ILE 129 Cb -0.20 -3.42 0.05 0.00 0.01 0.00 0.00 42.46 38.90 1ajw s ILE 129 CO -0.06 -0.23 0.48 -1.58 0.00 0.00 0.00 174.94 173.54 1ajw s GLN 130 N -4.02 0.55 -0.09 2.79 0.74 0.19 -2.41 119.66 117.42 1ajw s GLN 130 Ca 0.39 0.67 0.04 0.00 0.05 0.00 0.00 55.36 56.51 1ajw s GLN 130 Cb -0.08 0.26 -0.01 0.00 1.10 0.00 0.00 33.01 34.28 1ajw s GLN 130 CO 0.28 -0.07 -0.21 -1.01 -0.55 0.00 0.00 175.29 173.73 1ajw s HIS 131 N 0.30 2.60 -1.31 1.67 3.76 0.35 0.36 115.29 123.02 1ajw s HIS 131 Ca -0.00 -0.76 -0.11 0.00 -0.15 0.00 0.00 55.06 54.04 1ajw s HIS 131 Cb -0.04 -1.70 0.14 0.00 1.11 0.00 0.00 32.58 32.10 1ajw s HIS 131 CO 0.00 -0.24 1.90 2.41 -0.85 0.00 0.00 174.74 177.96 1ajw n THR 132 N 3.22 4.17 -2.35 1.30 -1.04 0.17 -1.85 114.28 117.90 1ajw n THR 132 Ca -0.18 -4.17 -0.34 0.00 -2.04 0.00 0.00 64.05 57.32 1ajw n THR 132 Cb 0.53 -2.41 -0.02 0.00 -1.82 0.00 0.00 70.33 66.61 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 1.06 2.95 0.00 -1.42 1.51 -0.16 -3.42 117.35 117.87 1ajw s TYR 133 Ca 0.41 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 58.03 1ajw s TYR 133 Cb 0.09 -3.08 0.00 0.00 -0.11 0.00 0.00 41.96 38.87 1ajw s TYR 133 CO -0.01 -1.01 0.00 -2.13 -1.11 0.00 0.00 175.55 171.29 1ajw n ARG 134 N -1.34 3.97 -0.93 -0.62 3.00 -1.12 -0.96 116.66 118.66 1ajw n ARG 134 Ca 0.09 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.60 1ajw n ARG 134 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.94 1ajw n ARG 134 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1ajw n LYS 135 N 0.00 1.54 -2.29 -0.14 0.00 -1.26 -3.76 118.16 112.24 1ajw n LYS 135 Ca 0.00 -1.62 -0.02 0.00 -0.00 0.00 0.00 58.31 56.67 1ajw n LYS 135 Cb 0.00 -2.71 0.00 0.00 -0.00 0.00 0.00 35.03 32.32 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 4.29 0.55 2.67 2.58 0.00 -1.26 -5.03 105.19 108.98 1ajw n GLY 136 Ca 0.46 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.53 -0.22 -0.08 1.61 1.01 -1.25 -5.10 120.40 113.84 1ajw s VAL 137 Ca 0.02 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 1ajw s VAL 137 Cb -0.01 -0.91 -0.08 0.00 0.00 0.00 0.00 36.38 35.38 1ajw s VAL 137 CO 0.03 -0.65 2.08 2.29 0.00 0.00 0.00 175.10 178.85 1ajw n LYS 138 N 4.73 2.43 -0.07 2.72 2.85 -1.26 -2.78 118.16 126.76 1ajw n LYS 138 Ca 0.04 0.81 -0.07 0.00 -1.05 0.00 0.00 58.31 58.04 1ajw n LYS 138 Cb 0.43 -3.09 -0.03 0.00 -0.65 0.00 0.00 35.03 31.70 1ajw n LYS 138 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1ajw h ILE 139 N 6.30 0.12 -1.72 0.58 2.04 -1.91 -3.49 117.51 119.44 1ajw h ILE 139 Ca -0.46 -1.15 0.03 0.00 1.00 0.00 0.00 64.86 64.28 1ajw h ILE 139 Cb 1.24 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1ajw h ILE 139 CO 0.95 0.04 0.11 -0.67 0.00 0.00 0.00 178.15 178.58 1ajw n ASP 140 N -4.60 -0.31 -3.73 1.72 2.03 -1.26 -5.01 116.55 105.40 1ajw n ASP 140 Ca -0.10 -1.16 -0.07 0.00 0.52 0.00 0.00 54.79 53.99 1ajw n ASP 140 Cb 0.31 0.50 -0.02 0.00 -0.72 0.00 0.00 41.12 41.19 1ajw n ASP 140 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1ajw s LYS 141 N -2.01 1.43 0.03 -0.67 0.00 -1.26 0.43 119.74 117.69 1ajw s LYS 141 Ca 0.04 -0.74 0.01 0.00 0.00 0.00 0.00 55.97 55.29 1ajw s LYS 141 Cb -0.00 0.52 -0.02 0.00 0.00 0.00 0.00 37.83 38.33 1ajw s LYS 141 CO 0.01 -0.65 -0.06 0.99 0.00 0.00 0.00 175.35 175.64 1ajw s THR 142 N -3.61 0.39 -0.13 3.79 2.01 0.16 -4.94 115.64 113.31 1ajw s THR 142 Ca 0.09 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1ajw s THR 142 Cb -0.03 -0.46 -0.00 0.00 0.01 0.00 0.00 72.50 72.02 1ajw s THR 142 CO 0.01 -0.31 -0.18 1.51 -0.69 0.00 0.00 174.62 174.96 1ajw s ASP 143 N -1.23 3.52 -0.04 3.53 1.47 -1.26 -0.63 116.67 122.02 1ajw s ASP 143 Ca -0.09 -0.48 0.06 0.00 1.18 0.00 0.00 52.55 53.22 1ajw s ASP 143 Cb -0.08 -1.52 -0.02 0.00 -0.34 0.00 0.00 42.92 40.96 1ajw s ASP 143 CO -0.00 0.13 -0.20 -0.31 0.68 0.00 0.00 175.17 175.46 1ajw s TYR 144 N 0.57 2.52 -0.41 2.11 2.02 -0.14 -4.96 117.35 119.04 1ajw s TYR 144 Ca -0.11 -0.36 -0.25 0.00 -0.37 0.00 0.00 57.07 55.98 1ajw s TYR 144 Cb -0.16 -1.58 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 1ajw s TYR 144 CO 0.04 0.03 0.88 1.41 -1.57 0.00 0.00 175.55 176.33 1ajw s MET 145 N -0.57 3.65 -0.01 -0.62 1.75 -1.26 -0.59 119.30 121.66 1ajw s MET 145 Ca 0.08 0.28 -0.00 0.00 -1.25 0.00 0.00 55.69 54.80 1ajw s MET 145 Cb -0.11 -3.87 -0.00 0.00 2.84 0.00 0.00 34.83 33.69 1ajw s MET 145 CO 0.00 -1.05 0.02 0.28 -0.65 0.00 0.00 175.02 173.63 1ajw h VAL 146 N 5.92 0.00 0.00 10.11 2.07 -0.92 -3.48 116.25 129.95 1ajw h VAL 146 Ca -0.24 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1ajw h VAL 146 Cb 1.08 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1ajw h VAL 146 CO 0.98 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.18 1ajw n GLY 147 N 1.92 1.98 3.90 2.17 0.00 -1.09 -4.96 105.19 109.11 1ajw n GLY 147 Ca -0.00 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 1ajw n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ajw s SER 148 N 0.00 6.50 -0.14 1.61 0.01 -1.26 -2.30 113.70 118.11 1ajw s SER 148 Ca 0.00 0.63 -0.07 0.00 1.31 0.00 0.00 55.95 57.82 1ajw s SER 148 Cb 0.00 -2.11 0.06 0.00 0.21 0.00 0.00 66.02 64.18 1ajw s SER 148 CO 0.00 0.00 0.34 -0.31 0.41 0.00 0.00 173.24 173.68 1ajw s TYR 149 N -1.74 -0.50 0.59 2.43 2.02 -1.15 -4.96 117.35 114.05 1ajw s TYR 149 Ca 0.42 1.09 -0.01 0.00 -0.37 0.00 0.00 57.07 58.20 1ajw s TYR 149 Cb -0.12 0.17 0.04 0.00 -0.40 0.00 0.00 41.96 41.65 1ajw s TYR 149 CO 0.25 -0.31 0.84 0.20 -1.57 0.00 0.00 175.55 174.97 1ajw s GLY 150 N 1.46 1.79 0.00 0.71 0.00 -1.26 -2.82 107.32 107.20 1ajw s GLY 150 Ca -0.09 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.43 1ajw s GLY 150 CO -0.11 -0.89 0.00 -1.55 0.00 0.00 0.00 173.10 170.55 1ajw n PRO 151 N -2.51 -0.17 -3.05 2.90 -0.04 -1.25 -4.07 135.00 126.81 1ajw n PRO 151 Ca 0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 1ajw n PRO 151 Cb 0.60 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.03 1ajw n PRO 151 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1ajw n ARG 152 N -0.88 -1.96 -0.94 0.54 1.85 -1.26 -4.71 116.66 109.31 1ajw n ARG 152 Ca 0.00 0.05 0.04 0.00 -1.00 0.00 0.00 57.85 56.94 1ajw n ARG 152 Cb 0.00 -4.06 0.07 0.00 -1.05 0.00 0.00 32.46 27.42 1ajw n ARG 152 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ajw n ALA 153 N -2.79 2.58 -0.80 2.89 0.00 -1.26 -5.12 120.51 116.01 1ajw n ALA 153 Ca 0.04 -2.32 0.00 0.00 0.00 0.00 0.00 53.44 51.16 1ajw n ALA 153 Cb 0.42 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1ajw n ALA 153 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ajw n GLU 154 N -0.18 0.00 -3.93 0.00 1.02 -1.26 -4.73 120.64 111.56 1ajw n GLU 154 Ca 0.09 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.93 1ajw n GLU 154 Cb 0.90 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.28 1ajw n GLU 154 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1ajw s GLU 155 N 0.00 3.42 0.00 3.49 1.03 -1.26 -3.17 118.70 122.21 1ajw s GLU 155 Ca 0.00 -0.48 0.00 0.00 0.03 0.00 0.00 54.97 54.52 1ajw s GLU 155 Cb 0.00 -3.02 0.00 0.00 -0.80 0.00 0.00 34.13 30.31 1ajw s GLU 155 CO 0.00 0.59 0.00 0.66 -1.33 0.00 0.00 175.26 175.18 1ajw n TYR 156 N 0.13 -1.18 -3.58 4.83 4.01 -0.44 -4.95 117.16 115.99 1ajw n TYR 156 Ca -0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.67 1ajw n TYR 156 Cb 0.52 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.50 1ajw n TYR 156 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1ajw s GLU 157 N -0.00 0.49 0.62 -0.72 -1.05 -1.26 -3.12 118.70 113.66 1ajw s GLU 157 Ca 0.00 1.10 -0.05 0.00 -0.15 0.00 0.00 54.97 55.88 1ajw s GLU 157 Cb 0.00 0.52 0.03 0.00 -0.44 0.00 0.00 34.13 34.25 1ajw s GLU 157 CO 0.00 -0.15 0.92 0.12 0.95 0.00 0.00 175.26 177.10 1ajw s PHE 158 N 2.35 3.04 -0.38 4.83 5.36 0.29 -4.90 117.98 128.57 1ajw s PHE 158 Ca -0.06 0.42 0.03 0.00 -0.96 0.00 0.00 56.93 56.36 1ajw s PHE 158 Cb -0.08 -2.91 0.16 0.00 -0.34 0.00 0.00 43.02 39.84 1ajw s PHE 158 CO -0.18 -1.06 0.35 -0.51 -1.46 0.00 0.00 175.22 172.36 1ajw s LEU 159 N -5.04 0.30 0.54 6.12 1.43 -1.26 -2.58 118.68 118.18 1ajw s LEU 159 Ca 0.57 -1.93 -0.22 0.00 -1.03 0.00 0.00 54.13 51.52 1ajw s LEU 159 Cb -0.11 0.28 -0.05 0.00 0.03 0.00 0.00 46.19 46.35 1ajw s LEU 159 CO 0.43 -0.25 1.30 0.42 0.23 0.00 0.00 176.35 178.49 1ajw s THR 160 N 1.13 2.33 0.55 5.49 -4.23 0.17 -4.89 115.64 116.19 1ajw s THR 160 Ca 0.20 0.24 -0.20 0.00 -1.18 0.00 0.00 61.69 60.75 1ajw s THR 160 Cb -0.14 -3.12 -0.05 0.00 1.34 0.00 0.00 72.50 70.53 1ajw s THR 160 CO -0.04 -0.01 1.17 -2.16 -0.54 0.00 0.00 174.62 173.04 1ajw s PRO 161 N -2.91 3.26 -0.47 3.99 0.04 -1.26 -3.30 135.00 134.35 1ajw s PRO 161 Ca 0.71 1.72 -0.32 0.00 0.04 0.00 0.00 61.00 63.14 1ajw s PRO 161 Cb -0.37 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.03 1ajw s PRO 161 CO 0.44 -0.95 2.32 -0.12 0.04 0.00 0.00 177.00 178.73 1ajw n MET 162 N -1.31 0.95 -3.93 4.56 1.56 -1.26 -4.50 117.12 113.18 1ajw n MET 162 Ca 0.12 0.19 -0.22 0.00 -0.27 0.00 0.00 57.70 57.53 1ajw n MET 162 Cb 0.50 -2.57 -0.02 0.00 2.15 0.00 0.00 33.22 33.28 1ajw n MET 162 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 1ajw s GLU 163 N 7.11 3.44 0.19 2.12 -1.05 0.29 -4.60 118.70 126.20 1ajw s GLU 163 Ca 1.11 -0.72 -0.11 0.00 -0.15 0.00 0.00 54.97 55.10 1ajw s GLU 163 Cb -0.74 -2.88 -0.07 0.00 -0.44 0.00 0.00 34.13 29.99 1ajw s GLU 163 CO 0.43 0.42 0.53 -1.83 0.95 0.00 0.00 175.26 175.77 1ajw s GLU 164 N -3.93 3.85 0.82 -4.83 1.03 -1.26 0.10 118.70 114.48 1ajw s GLU 164 Ca 0.34 0.33 -0.06 0.00 0.03 0.00 0.00 54.97 55.62 1ajw s GLU 164 Cb -0.09 -2.77 0.16 0.00 -0.80 0.00 0.00 34.13 30.63 1ajw s GLU 164 CO 0.29 0.39 1.12 0.00 -1.33 0.00 0.00 175.26 175.73 1ajw s ALA 165 N -1.67 3.23 0.12 -0.84 0.00 0.25 -4.86 121.76 117.99 1ajw s ALA 165 Ca 0.43 -1.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.45 1ajw s ALA 165 Cb -0.13 -2.22 -0.07 0.00 0.00 0.00 0.00 23.12 20.70 1ajw s ALA 165 CO 0.20 -1.86 1.22 -1.25 0.00 0.00 0.00 175.76 174.08 1ajw s PRO 166 N -5.42 4.44 0.34 0.00 0.04 -1.26 -4.07 135.00 129.08 1ajw s PRO 166 Ca 0.70 1.86 0.08 0.00 0.04 0.00 0.00 61.00 63.68 1ajw s PRO 166 Cb -0.04 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 1ajw s PRO 166 CO 0.48 -0.21 0.10 -1.59 0.04 0.00 0.00 177.00 175.82 1ajw s LYS 167 N 0.49 2.26 0.00 4.56 -2.85 -1.26 -1.39 119.74 121.56 1ajw s LYS 167 Ca 0.57 -1.64 0.00 0.00 -1.00 0.00 0.00 55.97 53.90 1ajw s LYS 167 Cb -0.32 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.37 1ajw s LYS 167 CO 0.33 0.10 0.00 0.41 0.10 0.00 0.00 175.35 176.29 1ajw n GLY 168 N -1.09 2.69 0.36 0.59 0.00 -1.26 -4.38 105.19 102.10 1ajw n GLY 168 Ca -0.03 -1.96 -0.02 0.00 0.00 0.00 0.00 46.02 44.00 1ajw n GLY 168 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ajw h MET 169 N 0.00 1.23 0.00 1.61 4.05 -1.99 -1.18 114.93 118.65 1ajw h MET 169 Ca 0.00 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1ajw h MET 169 Cb 0.00 -0.26 0.00 0.00 -0.80 0.00 0.00 31.60 30.54 1ajw h MET 169 CO 0.00 0.86 0.00 1.47 0.23 0.00 0.00 176.91 179.47 1ajw n LEU 170 N -4.36 0.00 0.10 3.39 -0.00 -1.26 -2.96 117.00 111.92 1ajw n LEU 170 Ca 0.10 0.27 -0.03 0.00 -0.00 0.00 0.00 56.01 56.35 1ajw n LEU 170 Cb 0.06 -0.27 0.04 0.00 -0.00 0.00 0.00 43.42 43.24 1ajw n LEU 170 CO 0.38 -0.11 0.34 0.00 -0.00 0.00 0.00 177.39 178.00 1ajw h ALA 171 N 2.89 0.67 -2.52 1.47 0.00 -1.41 -3.44 119.26 116.93 1ajw h ALA 171 Ca 0.00 -0.71 -0.53 0.00 0.00 0.00 0.00 54.91 53.68 1ajw h ALA 171 Cb 0.17 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 17.86 1ajw h ALA 171 CO 0.00 0.97 0.92 1.03 0.00 0.00 0.00 179.25 182.17 1ajw s ARG 172 N -3.16 4.22 0.00 0.00 0.52 -1.15 -4.53 118.95 114.84 1ajw s ARG 172 Ca 0.00 2.31 0.00 0.00 -0.52 0.00 0.00 55.73 57.52 1ajw s ARG 172 Cb 0.11 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 32.20 1ajw s ARG 172 CO 0.78 -0.65 0.00 0.41 0.02 0.00 0.00 175.30 175.86 1ajw n GLY 173 N 3.85 0.14 3.76 -3.53 0.00 -1.19 -4.87 105.19 103.35 1ajw n GLY 173 Ca 0.15 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.30 7.02 -0.24 1.61 1.04 -1.26 -0.16 113.70 121.41 1ajw s SER 174 Ca 0.00 1.22 0.02 0.00 0.48 0.00 0.00 55.95 57.66 1ajw s SER 174 Cb 0.00 -2.38 0.05 0.00 0.10 0.00 0.00 66.02 63.79 1ajw s SER 174 CO 0.00 0.09 -0.10 -0.31 0.98 0.00 0.00 173.24 173.90 1ajw s TYR 175 N -0.18 2.81 0.22 5.02 1.51 0.18 -4.79 117.35 122.11 1ajw s TYR 175 Ca 0.32 -1.97 -0.32 0.00 -1.01 0.00 0.00 57.07 54.10 1ajw s TYR 175 Cb -0.19 -1.76 -0.12 0.00 -0.11 0.00 0.00 41.96 39.78 1ajw s TYR 175 CO 0.18 -0.82 1.71 -0.80 -1.11 0.00 0.00 175.55 174.71 1ajw s ASN 176 N 1.26 6.38 -0.43 2.29 -0.87 -0.13 -0.00 114.94 123.43 1ajw s ASN 176 Ca -0.06 2.88 -0.02 0.00 -1.57 0.00 0.00 52.86 54.10 1ajw s ASN 176 Cb -0.18 -2.60 0.12 0.00 -0.02 0.00 0.00 41.25 38.56 1ajw s ASN 176 CO -0.06 -0.97 0.21 -0.63 -2.57 0.00 0.00 177.10 173.08 1ajw s ILE 177 N 1.03 3.17 -0.28 0.60 -1.09 0.28 -0.98 121.20 123.93 1ajw s ILE 177 Ca 0.73 -2.25 -0.19 0.00 -2.23 0.00 0.00 60.65 56.72 1ajw s ILE 177 Cb -0.49 -3.18 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 1ajw s ILE 177 CO 0.34 -0.70 0.57 -0.75 -1.23 0.00 0.00 174.94 173.16 1ajw s LYS 178 N 0.92 4.01 0.02 2.79 2.47 -0.77 -2.30 119.74 126.87 1ajw s LYS 178 Ca 0.10 0.34 0.08 0.00 -1.56 0.00 0.00 55.97 54.93 1ajw s LYS 178 Cb -0.22 -3.68 -0.03 0.00 -1.46 0.00 0.00 37.83 32.44 1ajw s LYS 178 CO -0.05 -0.44 -0.23 0.45 0.16 0.00 0.00 175.35 175.25 1ajw s SER 179 N 1.57 3.39 -0.29 1.43 0.15 -1.19 0.13 113.70 118.90 1ajw s SER 179 Ca 0.23 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.41 1ajw s SER 179 Cb -0.15 -0.43 0.06 0.00 -1.71 0.00 0.00 66.02 63.79 1ajw s SER 179 CO 0.10 0.28 -0.05 -0.60 1.20 0.00 0.00 173.24 174.16 1ajw s ARG 180 N -1.14 2.18 -0.03 5.44 3.52 -1.01 -2.82 118.95 125.08 1ajw s ARG 180 Ca 0.12 -1.42 -0.25 0.00 -0.13 0.00 0.00 55.73 54.05 1ajw s ARG 180 Cb -0.10 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 1ajw s ARG 180 CO 0.02 -0.65 0.79 0.12 -0.81 0.00 0.00 175.30 174.77 1ajw s PHE 181 N 1.11 3.62 0.01 5.12 5.36 0.32 -3.23 117.98 130.30 1ajw s PHE 181 Ca -0.05 1.41 -0.03 0.00 -0.96 0.00 0.00 56.93 57.30 1ajw s PHE 181 Cb -0.20 -2.90 0.01 0.00 -0.34 0.00 0.00 43.02 39.59 1ajw s PHE 181 CO -0.04 0.09 0.12 -2.37 -1.46 0.00 0.00 175.22 171.55 1ajw n THR 182 N 3.68 0.00 -2.03 0.12 5.66 -1.14 -1.45 114.28 119.12 1ajw n THR 182 Ca 0.01 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1ajw n THR 182 Cb 0.51 0.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1ajw n THR 182 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1ajw n ASP 183 N -0.50 0.52 0.40 1.09 5.75 -1.26 -0.24 116.55 122.31 1ajw n ASP 183 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.59 1ajw n ASP 183 Cb 0.06 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.06 1ajw n ASP 183 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1ajw h ASP 184 N 0.00 -1.18 0.00 -1.12 3.32 -0.11 -3.39 116.42 113.94 1ajw h ASP 184 Ca 0.00 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1ajw h ASP 184 Cb 0.00 0.35 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1ajw h ASP 184 CO 0.00 -0.70 -0.09 0.47 -1.72 0.00 0.00 179.24 177.19 1ajw n ASP 185 N -5.59 -0.32 0.10 6.45 8.00 -1.26 -4.99 116.55 118.94 1ajw n ASP 185 Ca -0.14 -0.73 -0.18 0.00 0.71 0.00 0.00 54.79 54.45 1ajw n ASP 185 Cb 0.47 0.10 -0.14 0.00 -0.02 0.00 0.00 41.12 41.53 1ajw n ASP 185 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1ajw h ARG 186 N 0.00 0.32 0.00 -1.24 3.08 -1.96 -3.49 114.38 111.08 1ajw h ARG 186 Ca -0.18 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.33 1ajw h ARG 186 Cb 0.77 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1ajw h ARG 186 CO -0.09 1.24 0.00 -2.37 -1.07 0.00 0.00 179.97 177.68 1ajw n THR 187 N -3.55 0.00 -4.00 2.04 5.66 -1.26 -5.11 114.28 108.06 1ajw n THR 187 Ca -0.11 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.54 1ajw n THR 187 Cb 1.04 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.67 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 1.20 3.82 -0.06 1.09 1.01 -1.26 -4.22 116.67 118.25 1ajw s ASP 188 Ca 0.00 -0.53 -0.08 0.00 0.71 0.00 0.00 52.55 52.65 1ajw s ASP 188 Cb 0.00 -1.63 -0.04 0.00 1.01 0.00 0.00 42.92 42.26 1ajw s ASP 188 CO 0.00 -0.02 0.33 0.45 0.21 0.00 0.00 175.17 176.15 1ajw h HIS 189 N 8.04 -0.26 -1.61 4.23 3.86 -1.64 -3.49 115.15 124.27 1ajw h HIS 189 Ca -0.43 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 58.89 1ajw h HIS 189 Cb 1.15 0.09 -0.22 0.00 1.06 0.00 0.00 27.41 29.49 1ajw h HIS 189 CO 0.54 -0.16 0.59 -1.17 0.86 0.00 0.00 177.93 178.58 1ajw s LEU 190 N -8.71 -0.33 -0.13 2.43 2.96 -0.53 -4.87 118.68 109.50 1ajw s LEU 190 Ca -0.04 0.29 -0.10 0.00 -0.22 0.00 0.00 54.13 54.06 1ajw s LEU 190 Cb 0.00 1.79 0.04 0.00 0.50 0.00 0.00 46.19 48.53 1ajw s LEU 190 CO 0.13 -0.35 0.34 -0.55 -1.32 0.00 0.00 176.35 174.60 1ajw s SER 191 N -1.36 -0.38 0.00 3.68 0.15 -1.26 0.12 113.70 114.65 1ajw s SER 191 Ca 0.01 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1ajw s SER 191 Cb -0.01 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1ajw s SER 191 CO -0.01 -0.15 0.00 -2.67 1.20 0.00 0.00 173.24 171.61 1ajw n TRP 192 N 3.50 0.00 -3.61 3.44 2.14 -1.13 -5.01 117.44 116.77 1ajw n TRP 192 Ca -0.18 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.37 1ajw n TRP 192 Cb 0.56 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 31.00 1ajw n TRP 192 CO 0.00 0.00 0.00 -1.83 2.07 0.00 0.00 177.69 177.93 1ajw s GLU 193 N 1.43 0.42 0.06 -2.67 4.04 -1.26 -3.14 118.70 117.58 1ajw s GLU 193 Ca 0.00 0.77 0.04 0.00 0.04 0.00 0.00 54.97 55.82 1ajw s GLU 193 Cb 0.00 0.17 -0.03 0.00 0.02 0.00 0.00 34.13 34.29 1ajw s GLU 193 CO 0.00 -0.10 -0.12 1.67 -1.84 0.00 0.00 175.26 174.88 1ajw s TRP 194 N 1.61 1.01 0.36 4.83 1.48 -0.97 -4.35 118.94 122.91 1ajw s TRP 194 Ca -0.08 -0.49 -0.14 0.00 -1.06 0.00 0.00 56.10 54.33 1ajw s TRP 194 Cb -0.04 -0.58 -0.08 0.00 -1.16 0.00 0.00 33.47 31.61 1ajw s TRP 194 CO -0.16 0.00 0.76 -0.80 -4.06 0.00 0.00 176.95 172.69 1ajw s ASN 195 N -1.76 6.70 -0.28 -2.66 -0.87 -1.26 0.99 114.94 115.80 1ajw s ASN 195 Ca -0.04 1.26 0.01 0.00 -1.57 0.00 0.00 52.86 52.52 1ajw s ASN 195 Cb -0.09 -2.37 0.08 0.00 -0.02 0.00 0.00 41.25 38.85 1ajw s ASN 195 CO 0.01 -0.28 0.01 -0.22 -2.57 0.00 0.00 177.10 174.05 1ajw s LEU 196 N -3.29 3.09 0.17 0.60 2.96 1.00 -3.36 118.68 119.84 1ajw s LEU 196 Ca 0.54 -1.54 -0.28 0.00 -0.22 0.00 0.00 54.13 52.62 1ajw s LEU 196 Cb -0.10 -1.23 -0.08 0.00 0.50 0.00 0.00 46.19 45.28 1ajw s LEU 196 CO 0.22 -0.31 0.88 -0.89 -1.32 0.00 0.00 176.35 174.92 1ajw s THR 197 N 1.31 4.32 0.33 3.68 2.01 0.56 0.48 115.64 128.33 1ajw s THR 197 Ca 0.02 1.92 0.09 0.00 0.31 0.00 0.00 61.69 64.03 1ajw s THR 197 Cb -0.19 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.03 1ajw s THR 197 CO -0.11 0.46 0.04 -0.63 -0.69 0.00 0.00 174.62 173.68 1ajw s ILE 198 N -0.81 2.85 0.00 1.82 -1.09 0.78 0.11 121.20 124.85 1ajw s ILE 198 Ca 0.40 -1.90 0.00 0.00 -2.23 0.00 0.00 60.65 56.92 1ajw s ILE 198 Cb -0.24 -2.84 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 1ajw s ILE 198 CO 0.29 -0.23 0.00 1.17 -1.23 0.00 0.00 174.94 174.94 1ajw n LYS 199 N -0.99 0.00 0.00 2.79 4.81 0.13 -3.14 118.16 121.77 1ajw n LYS 199 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1ajw n LYS 199 Cb 0.61 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 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 5.83 -2.75 1.64 2.85 -1.26 0.01 118.16 124.48 1ajw n LYS 200 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 1ajw n LYS 200 Cb 0.00 -0.47 0.05 0.00 -0.65 0.00 0.00 35.03 33.96 1ajw n LYS 200 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1ajw n GLU 201 N -0.91 0.78 0.00 -1.58 0.28 -1.26 -4.65 120.64 113.30 1ajw n GLU 201 Ca 0.00 -1.73 0.10 0.00 -0.16 0.00 0.00 57.16 55.37 1ajw n GLU 201 Cb 0.00 -1.46 0.52 0.00 1.43 0.00 0.00 31.44 31.93 1ajw n GLU 201 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 177.13 174.30 1ajw n TRP 202 N 1.65 0.00 -2.70 -1.84 4.27 -1.26 -3.73 117.44 113.82 1ajw n TRP 202 Ca 0.09 0.00 -0.05 0.00 -3.89 0.00 0.00 57.50 53.65 1ajw n TRP 202 Cb 0.63 -0.23 0.10 0.00 -1.36 0.00 0.00 31.31 30.45 1ajw n TRP 202 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 1ajw n LYS 203 N -1.23 1.29 0.00 -2.67 3.00 -1.26 -4.76 118.16 112.54 1ajw n LYS 203 Ca 0.11 -2.08 0.00 0.00 -0.00 0.00 0.00 58.31 56.34 1ajw n LYS 203 Cb 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 35.03 34.89 1ajw n LYS 203 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15