#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 0.00 -3.24 0.00 0.24 -1.26 -5.14 118.33 108.94 1ajw n VAL 61 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 1ajw n VAL 61 Cb 0.00 -0.36 -0.03 0.00 -1.47 0.00 0.00 33.84 31.98 1ajw n VAL 61 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1ajw s SER 62 N -0.80 -0.51 0.33 -1.34 1.04 -1.26 -5.02 113.70 106.14 1ajw s SER 62 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1ajw s SER 62 Cb 0.00 1.52 0.00 0.00 0.10 0.00 0.00 66.02 67.64 1ajw s SER 62 CO 0.00 -0.33 0.00 0.00 0.98 0.00 0.00 173.24 173.89 1ajw n ALA 63 N 5.37 1.70 -1.39 5.32 0.00 -1.26 -5.17 120.51 125.09 1ajw n ALA 63 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.63 1ajw n ALA 63 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 1ajw n ALA 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ajw n ASP 64 N -3.35 -7.41 -2.77 0.00 9.92 -1.26 -4.92 116.55 106.77 1ajw n ASP 64 Ca 0.00 1.28 0.00 0.00 -0.53 0.00 0.00 54.79 55.54 1ajw n ASP 64 Cb 0.00 -4.71 0.00 0.00 -0.64 0.00 0.00 41.12 35.77 1ajw n ASP 64 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1ajw n PRO 65 N -4.25 0.13 0.00 -0.24 -0.04 -1.26 -5.03 135.00 124.31 1ajw n PRO 65 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1ajw n PRO 65 Cb 0.64 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.10 1ajw n PRO 65 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ajw n ASN 66 N -1.62 -1.69 -3.01 3.54 2.85 -1.26 -5.02 115.26 109.06 1ajw n ASN 66 Ca 0.00 -0.02 -0.17 0.00 -0.11 0.00 0.00 54.58 54.28 1ajw n ASN 66 Cb 0.00 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.00 1ajw n ASN 66 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1ajw n VAL 67 N -2.70 -0.39 -2.35 3.44 3.14 -1.26 -5.12 118.33 113.08 1ajw n VAL 67 Ca 0.00 -2.98 -0.41 0.00 -2.96 0.00 0.00 64.34 57.99 1ajw n VAL 67 Cb 0.00 -0.47 -0.03 0.00 -1.06 0.00 0.00 33.84 32.28 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 -0.44 4.49 0.00 1.45 0.04 -1.26 -4.99 135.00 134.29 1ajw s PRO 68 Ca 0.34 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1ajw s PRO 68 Cb 0.20 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1ajw s PRO 68 CO -0.16 -0.08 0.12 -1.71 0.04 0.00 0.00 177.00 175.21 1ajw n ASN 69 N 2.25 0.00 -4.03 6.66 5.15 -1.26 -4.56 115.26 119.47 1ajw n ASN 69 Ca 0.04 0.47 -0.30 0.00 -0.60 0.00 0.00 54.58 54.19 1ajw n ASN 69 Cb 0.44 -0.41 -0.17 0.00 -0.53 0.00 0.00 39.78 39.12 1ajw n ASN 69 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1ajw s VAL 70 N -1.05 1.57 -0.03 3.44 1.01 -1.26 -3.05 120.40 121.03 1ajw s VAL 70 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1ajw s VAL 70 Cb 0.00 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1ajw s VAL 70 CO 0.00 0.46 0.25 -0.69 0.00 0.00 0.00 175.10 175.11 1ajw s VAL 71 N 1.34 0.05 -0.24 2.92 1.01 -1.25 -4.70 120.40 119.53 1ajw s VAL 71 Ca 0.02 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1ajw s VAL 71 Cb -0.13 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1ajw s VAL 71 CO -0.08 -0.23 1.73 -0.69 0.00 0.00 0.00 175.10 175.82 1ajw s VAL 72 N -0.97 3.55 0.13 2.92 1.01 -1.26 -3.27 120.40 122.52 1ajw s VAL 72 Ca -0.10 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1ajw s VAL 72 Cb -0.05 -3.62 -0.19 0.00 0.00 0.00 0.00 36.38 32.52 1ajw s VAL 72 CO 0.02 -0.31 1.30 0.71 0.00 0.00 0.00 175.10 176.83 1ajw h THR 73 N 6.40 1.50 -2.14 3.92 1.35 0.55 -3.37 112.91 121.13 1ajw h THR 73 Ca -0.35 -2.77 0.14 0.00 -0.55 0.00 0.00 66.41 62.88 1ajw h THR 73 Cb 1.17 2.60 -0.16 0.00 -1.73 0.00 0.00 68.15 70.03 1ajw h THR 73 CO 1.01 0.81 0.55 -0.60 -0.25 0.00 0.00 175.52 177.04 1ajw s ARG 74 N -3.05 0.74 -0.04 4.72 3.52 -1.17 -3.14 118.95 120.53 1ajw s ARG 74 Ca -0.03 -0.28 0.03 0.00 -0.13 0.00 0.00 55.73 55.33 1ajw s ARG 74 Cb 0.09 0.34 0.00 0.00 -1.56 0.00 0.00 34.95 33.82 1ajw s ARG 74 CO 0.85 -0.32 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.70 1ajw s LEU 75 N -2.44 1.84 0.29 -0.88 0.20 -0.44 -1.12 118.68 116.13 1ajw s LEU 75 Ca 0.06 -0.29 0.08 0.00 0.69 0.00 0.00 54.13 54.67 1ajw s LEU 75 Cb -0.01 -0.82 -0.04 0.00 -0.43 0.00 0.00 46.19 44.89 1ajw s LEU 75 CO -0.08 0.11 0.14 -0.89 -0.29 0.00 0.00 176.35 175.34 1ajw s THR 76 N 0.17 3.60 -0.32 3.68 2.01 -0.21 -0.00 115.64 124.57 1ajw s THR 76 Ca -0.05 -1.63 0.00 0.00 0.31 0.00 0.00 61.69 60.33 1ajw s THR 76 Cb -0.11 -3.09 0.14 0.00 0.01 0.00 0.00 72.50 69.45 1ajw s THR 76 CO 0.02 -0.28 0.29 -0.76 -0.69 0.00 0.00 174.62 173.20 1ajw s LEU 77 N -3.82 0.04 0.37 4.42 1.43 -1.00 -2.77 118.68 117.35 1ajw s LEU 77 Ca 0.35 -1.25 0.07 0.00 -1.03 0.00 0.00 54.13 52.27 1ajw s LEU 77 Cb -0.06 0.33 -0.02 0.00 0.03 0.00 0.00 46.19 46.47 1ajw s LEU 77 CO 0.23 -0.34 0.37 -0.69 0.23 0.00 0.00 176.35 176.15 1ajw s VAL 78 N 1.88 3.22 0.00 -1.59 1.01 -0.83 -3.16 120.40 120.93 1ajw s VAL 78 Ca 0.13 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1ajw s VAL 78 Cb -0.16 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1ajw s VAL 78 CO -0.20 -0.09 0.00 0.00 0.00 0.00 0.00 175.10 174.81 1ajw n SER 80 N -0.71 0.00 -2.16 0.00 7.64 -1.26 -4.88 113.62 112.24 1ajw n SER 80 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 1ajw n SER 80 Cb 0.00 0.17 0.15 0.00 -1.01 0.00 0.00 64.21 63.52 1ajw n SER 80 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ajw n THR 81 N -1.72 3.12 -2.19 0.44 -2.24 -1.26 -4.97 114.28 105.47 1ajw n THR 81 Ca 0.00 -1.93 -0.26 0.00 -2.27 0.00 0.00 64.05 59.59 1ajw n THR 81 Cb 0.00 -0.61 0.07 0.00 -2.10 0.00 0.00 70.33 67.69 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 -3.14 3.13 0.22 6.98 0.00 -1.26 -4.55 121.76 123.14 1ajw s ALA 82 Ca 0.54 -0.91 0.16 0.00 0.00 0.00 0.00 51.96 51.75 1ajw s ALA 82 Cb 0.45 -2.62 0.62 0.00 0.00 0.00 0.00 23.12 21.57 1ajw s ALA 82 CO 0.09 -1.32 1.72 -1.00 0.00 0.00 0.00 175.76 175.25 1ajw h PRO 83 N -0.62 0.00 0.00 0.00 0.13 -1.93 -3.48 132.00 126.09 1ajw h PRO 83 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ajw h PRO 83 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ajw h PRO 83 CO 0.61 0.43 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 1ajw n GLY 84 N 0.15 1.77 3.57 1.56 0.00 -1.26 -5.07 105.19 105.90 1ajw n GLY 84 Ca -0.01 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 3.06 0.13 1.61 0.04 -1.26 -4.81 135.00 131.77 1ajw s PRO 85 Ca 0.00 0.75 -0.31 0.00 0.04 0.00 0.00 61.00 61.48 1ajw s PRO 85 Cb 0.00 -4.24 -0.09 0.00 0.04 0.00 0.00 34.50 30.21 1ajw s PRO 85 CO 0.00 -2.21 1.58 -0.51 0.04 0.00 0.00 177.00 175.89 1ajw s LEU 86 N 7.39 4.37 -0.34 -3.56 1.43 -1.19 -4.59 118.68 122.18 1ajw s LEU 86 Ca 0.65 2.55 -0.11 0.00 -1.03 0.00 0.00 54.13 56.19 1ajw s LEU 86 Cb -0.14 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.50 1ajw s LEU 86 CO 0.25 -0.83 0.19 -1.61 0.23 0.00 0.00 176.35 174.59 1ajw s GLU 87 N 1.60 3.14 -0.47 1.70 2.02 -1.25 -2.39 118.70 123.05 1ajw s GLU 87 Ca 0.71 -0.87 -0.15 0.00 0.02 0.00 0.00 54.97 54.68 1ajw s GLU 87 Cb -0.42 -3.68 0.07 0.00 0.10 0.00 0.00 34.13 30.19 1ajw s GLU 87 CO 0.31 -0.55 0.39 -1.17 0.02 0.00 0.00 175.26 174.26 1ajw s LEU 88 N 1.61 5.57 0.30 1.80 0.20 1.00 -4.86 118.68 124.29 1ajw s LEU 88 Ca 0.04 -1.28 -0.29 0.00 0.69 0.00 0.00 54.13 53.28 1ajw s LEU 88 Cb -0.18 -2.18 -0.10 0.00 -0.43 0.00 0.00 46.19 43.30 1ajw s LEU 88 CO 0.07 -0.63 1.38 -0.62 -0.29 0.00 0.00 176.35 176.27 1ajw s ASP 89 N 2.50 6.68 -0.39 3.68 2.15 -1.26 -1.33 116.67 128.70 1ajw s ASP 89 Ca 0.04 2.71 0.12 0.00 0.43 0.00 0.00 52.55 55.85 1ajw s ASP 89 Cb -0.24 -2.64 0.38 0.00 -0.30 0.00 0.00 42.92 40.12 1ajw s ASP 89 CO 0.07 -0.64 0.84 0.18 -0.17 0.00 0.00 175.17 175.46 1ajw n LEU 90 N 1.47 1.81 0.00 -1.34 4.77 -1.19 -4.82 117.00 117.70 1ajw n LEU 90 Ca 0.03 -4.80 -0.00 0.00 -0.03 0.00 0.00 56.01 51.21 1ajw n LEU 90 Cb 0.41 0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.87 1ajw n LEU 90 CO 0.60 2.11 -0.02 0.35 -1.33 0.00 0.00 177.39 179.11 1ajw n THR 91 N 0.06 0.19 0.06 -5.08 -2.24 -1.26 -4.51 114.28 101.50 1ajw n THR 91 Ca 0.23 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 1ajw n THR 91 Cb 0.66 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 3.07 -0.08 3.37 3.38 0.00 -1.26 -4.88 105.19 108.80 1ajw n GLY 92 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1ajw n GLY 92 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ajw n ASP 93 N -3.39 2.52 0.02 1.61 5.75 -1.26 -4.51 116.55 117.28 1ajw n ASP 93 Ca 0.00 -2.66 0.06 0.00 -0.01 0.00 0.00 54.79 52.19 1ajw n ASP 93 Cb 0.07 -1.35 -0.11 0.00 -1.03 0.00 0.00 41.12 38.70 1ajw n ASP 93 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1ajw n LEU 94 N 11.33 0.39 0.00 -2.12 4.77 -1.26 -4.11 117.00 126.00 1ajw n LEU 94 Ca 0.47 0.16 0.14 0.00 -0.03 0.00 0.00 56.01 56.75 1ajw n LEU 94 Cb 0.44 0.06 0.80 0.00 -2.33 0.00 0.00 43.42 42.38 1ajw n LEU 94 CO 0.88 0.04 0.99 1.21 -1.33 0.00 0.00 177.39 179.18 1ajw n GLU 95 N -2.55 0.77 -0.01 3.23 2.13 -1.26 -3.20 120.64 119.75 1ajw n GLU 95 Ca -0.08 0.01 0.14 0.00 0.66 0.00 0.00 57.16 57.89 1ajw n GLU 95 Cb 0.69 -1.50 0.51 0.00 0.27 0.00 0.00 31.44 31.41 1ajw n GLU 95 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1ajw n SER 96 N -1.06 1.53 -0.05 4.31 7.64 -1.26 -4.02 113.62 120.72 1ajw n SER 96 Ca 0.19 -1.52 -0.12 0.00 1.01 0.00 0.00 58.87 58.44 1ajw n SER 96 Cb 0.12 -0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.16 1ajw n SER 96 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ajw n PHE 97 N 0.20 0.64 0.33 1.43 3.72 -1.19 -4.08 117.46 118.51 1ajw n PHE 97 Ca 0.19 0.21 0.21 0.00 -0.05 0.00 0.00 57.45 58.01 1ajw n PHE 97 Cb 0.36 -1.11 1.14 0.00 -0.94 0.00 0.00 39.48 38.93 1ajw n PHE 97 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1ajw h LYS 98 N 0.01 0.00 0.00 -1.08 2.10 -1.72 -0.83 116.57 115.05 1ajw h LYS 98 Ca -0.41 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.11 1ajw h LYS 98 Cb 2.08 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.39 1ajw h LYS 98 CO 0.05 0.00 -1.17 0.87 -2.00 0.00 0.00 179.45 177.21 1ajw h LYS 99 N 0.00 0.00 0.00 0.07 6.56 -1.79 -3.46 116.57 117.95 1ajw h LYS 99 Ca 0.00 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 58.99 1ajw h LYS 99 Cb 0.09 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.69 1ajw h LYS 99 CO 0.00 0.28 -0.32 1.04 -2.06 0.00 0.00 179.45 178.40 1ajw n GLN 100 N -2.93 0.68 -3.62 3.15 6.02 -0.32 -5.12 117.38 115.24 1ajw n GLN 100 Ca -0.06 -3.55 -0.10 0.00 -0.01 0.00 0.00 57.00 53.27 1ajw n GLN 100 Cb 0.78 0.49 -0.07 0.00 1.02 0.00 0.00 30.24 32.46 1ajw n GLN 100 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1ajw s SER 101 N -4.21 -0.46 -0.18 1.08 1.04 -1.26 -4.16 113.70 105.55 1ajw s SER 101 Ca 0.26 0.79 -0.29 0.00 0.48 0.00 0.00 55.95 57.18 1ajw s SER 101 Cb -0.02 0.76 -0.00 0.00 0.10 0.00 0.00 66.02 66.86 1ajw s SER 101 CO 0.16 -0.22 1.07 -0.36 0.98 0.00 0.00 173.24 174.87 1ajw s PHE 102 N -0.15 3.31 -0.20 5.02 0.08 -1.18 -4.64 117.98 120.22 1ajw s PHE 102 Ca 0.01 1.43 -0.20 0.00 0.12 0.00 0.00 56.93 58.28 1ajw s PHE 102 Cb -0.04 -3.29 -0.03 0.00 -0.57 0.00 0.00 43.02 39.10 1ajw s PHE 102 CO -0.03 -0.63 0.60 0.08 -0.10 0.00 0.00 175.22 175.14 1ajw s VAL 103 N 2.87 5.04 0.47 -0.44 1.01 -1.25 -0.96 120.40 127.15 1ajw s VAL 103 Ca 0.47 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.60 1ajw s VAL 103 Cb -0.17 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1ajw s VAL 103 CO 0.11 0.12 0.06 -0.76 0.00 0.00 0.00 175.10 174.63 1ajw s LEU 104 N 1.87 2.15 0.09 3.92 1.43 0.01 -4.94 118.68 123.21 1ajw s LEU 104 Ca 0.27 -1.68 0.03 0.00 -1.03 0.00 0.00 54.13 51.72 1ajw s LEU 104 Cb -0.16 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.56 1ajw s LEU 104 CO 0.10 -0.91 0.12 -0.75 0.23 0.00 0.00 176.35 175.15 1ajw s LYS 105 N -3.80 3.02 -0.07 1.70 2.20 -1.26 0.11 119.74 121.63 1ajw s LYS 105 Ca 0.12 -0.66 -0.37 0.00 -0.36 0.00 0.00 55.97 54.70 1ajw s LYS 105 Cb 0.02 -2.79 -0.15 0.00 -1.51 0.00 0.00 37.83 33.40 1ajw s LYS 105 CO 0.07 0.56 1.63 -0.85 -0.36 0.00 0.00 175.35 176.40 1ajw n GLU 106 N 0.26 1.51 -3.20 4.03 0.28 0.95 -2.82 120.64 121.66 1ajw n GLU 106 Ca -0.08 0.55 -0.15 0.00 -0.16 0.00 0.00 57.16 57.33 1ajw n GLU 106 Cb 0.52 -2.27 0.07 0.00 1.43 0.00 0.00 31.44 31.19 1ajw n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ajw n GLY 107 N 3.63 -0.22 3.77 -1.84 0.00 0.30 -4.83 105.19 105.99 1ajw n GLY 107 Ca 0.22 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.29 5.32 -0.87 1.61 -7.23 -1.13 -4.59 120.40 110.22 1ajw s VAL 108 Ca 0.05 0.48 -0.24 0.00 -1.81 0.00 0.00 61.98 60.45 1ajw s VAL 108 Cb -0.02 -3.58 0.05 0.00 0.56 0.00 0.00 36.38 33.39 1ajw s VAL 108 CO 0.60 0.46 1.32 -1.61 -0.31 0.00 0.00 175.10 175.56 1ajw s GLU 109 N -0.03 3.39 0.00 4.82 2.02 -1.24 -2.46 118.70 125.20 1ajw s GLU 109 Ca 0.16 -0.80 0.07 0.00 0.02 0.00 0.00 54.97 54.42 1ajw s GLU 109 Cb -0.13 -4.77 -0.03 0.00 0.10 0.00 0.00 34.13 29.31 1ajw s GLU 109 CO 0.04 -2.12 -0.23 1.52 0.02 0.00 0.00 175.26 174.50 1ajw s TYR 110 N 5.02 2.43 0.31 1.61 -0.85 0.24 -4.55 117.35 121.56 1ajw s TYR 110 Ca 0.39 -0.35 0.07 0.00 -0.52 0.00 0.00 57.07 56.66 1ajw s TYR 110 Cb -0.05 -1.49 -0.03 0.00 0.38 0.00 0.00 41.96 40.77 1ajw s TYR 110 CO 0.02 0.09 0.26 -0.98 -1.52 0.00 0.00 175.55 173.42 1ajw s ARG 111 N -0.94 2.78 0.11 -3.49 1.70 -0.02 0.11 118.95 119.21 1ajw s ARG 111 Ca 0.12 -1.22 0.08 0.00 -0.47 0.00 0.00 55.73 54.23 1ajw s ARG 111 Cb -0.10 -2.50 -0.04 0.00 -0.57 0.00 0.00 34.95 31.74 1ajw s ARG 111 CO 0.01 0.20 -0.19 0.42 -1.08 0.00 0.00 175.30 174.66 1ajw s ILE 112 N -2.25 1.60 -0.14 4.99 1.01 -1.20 -1.96 121.20 123.24 1ajw s ILE 112 Ca 0.38 -1.60 -0.00 0.00 0.00 0.00 0.00 60.65 59.42 1ajw s ILE 112 Cb -0.06 -1.54 0.03 0.00 0.01 0.00 0.00 42.46 40.90 1ajw s ILE 112 CO 0.26 -0.18 -0.07 -0.75 0.00 0.00 0.00 174.94 174.20 1ajw s LYS 113 N -2.15 1.55 0.06 2.79 2.20 -1.12 0.10 119.74 123.17 1ajw s LYS 113 Ca 0.07 -0.39 -0.09 0.00 -0.36 0.00 0.00 55.97 55.20 1ajw s LYS 113 Cb -0.09 -1.81 -0.05 0.00 -1.51 0.00 0.00 37.83 34.37 1ajw s LYS 113 CO 0.04 -0.34 0.36 0.42 -0.36 0.00 0.00 175.35 175.48 1ajw s ILE 114 N 1.66 5.15 0.08 5.43 -1.09 0.00 -1.04 121.20 131.39 1ajw s ILE 114 Ca 0.03 0.37 0.08 0.00 -2.23 0.00 0.00 60.65 58.90 1ajw s ILE 114 Cb -0.14 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1ajw s ILE 114 CO -0.08 0.31 -0.22 -0.55 -1.23 0.00 0.00 174.94 173.17 1ajw s SER 115 N -1.74 2.68 -0.01 3.58 0.15 -0.28 0.05 113.70 118.13 1ajw s SER 115 Ca 0.31 -0.62 -0.29 0.00 0.70 0.00 0.00 55.95 56.05 1ajw s SER 115 Cb -0.14 -0.19 0.10 0.00 -1.71 0.00 0.00 66.02 64.09 1ajw s SER 115 CO 0.18 0.13 0.95 0.72 1.20 0.00 0.00 173.24 176.41 1ajw s PHE 116 N -0.98 -0.29 0.02 3.44 -0.71 -1.19 0.11 117.98 118.39 1ajw s PHE 116 Ca 0.08 0.15 0.05 0.00 -1.04 0.00 0.00 56.93 56.17 1ajw s PHE 116 Cb -0.10 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.23 1ajw s PHE 116 CO 0.03 -0.52 -0.11 1.03 -1.34 0.00 0.00 175.22 174.31 1ajw s ARG 117 N -3.03 2.36 -0.34 1.99 0.52 -1.20 -0.59 118.95 118.65 1ajw s ARG 117 Ca 0.07 -0.83 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1ajw s ARG 117 Cb -0.01 -2.38 0.10 0.00 0.52 0.00 0.00 34.95 33.19 1ajw s ARG 117 CO -0.07 0.58 0.09 0.08 0.02 0.00 0.00 175.30 176.00 1ajw s VAL 118 N -0.97 1.63 -0.38 3.52 1.01 -1.19 -3.74 120.40 120.29 1ajw s VAL 118 Ca 0.16 -2.00 0.11 0.00 0.00 0.00 0.00 61.98 60.25 1ajw s VAL 118 Cb -0.11 -2.21 0.44 0.00 0.00 0.00 0.00 36.38 34.51 1ajw s VAL 118 CO 0.07 -0.66 1.05 -0.46 0.00 0.00 0.00 175.10 175.10 1ajw n ASN 119 N 4.41 3.31 0.00 3.32 0.23 -1.17 -2.95 115.26 122.41 1ajw n ASN 119 Ca 0.02 -3.25 0.00 0.00 -0.53 0.00 0.00 54.58 50.82 1ajw n ASN 119 Cb 0.41 -0.48 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 1ajw n ASN 119 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1ajw n ARG 120 N -0.33 0.00 -4.13 -3.83 5.12 -1.26 -4.89 116.66 107.34 1ajw n ARG 120 Ca 0.26 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 56.10 1ajw n ARG 120 Cb 0.75 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.95 1ajw n ARG 120 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1ajw s GLU 121 N -0.49 0.71 -0.41 5.56 2.12 -1.26 -4.82 118.70 120.11 1ajw s GLU 121 Ca 0.00 -1.28 -0.27 0.00 0.36 0.00 0.00 54.97 53.78 1ajw s GLU 121 Cb 0.00 0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1ajw s GLU 121 CO 0.00 -0.08 2.14 0.42 -0.54 0.00 0.00 175.26 177.20 1ajw s ILE 122 N -3.80 3.17 -1.22 -3.70 1.01 -1.26 -4.33 121.20 111.07 1ajw s ILE 122 Ca 0.10 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 1ajw s ILE 122 Cb 0.07 -3.32 0.19 0.00 0.01 0.00 0.00 42.46 39.41 1ajw s ILE 122 CO -0.07 -0.26 1.54 0.52 0.00 0.00 0.00 174.94 176.66 1ajw n VAL 123 N 7.67 4.39 -2.45 2.92 0.31 -0.51 -4.93 118.33 125.73 1ajw n VAL 123 Ca 0.29 -4.78 -0.39 0.00 -0.01 0.00 0.00 64.34 59.46 1ajw n VAL 123 Cb 0.50 -2.42 -0.03 0.00 -0.91 0.00 0.00 33.84 30.99 1ajw n VAL 123 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ajw s SER 124 N 1.76 6.30 0.00 4.52 1.04 -1.26 -3.12 113.70 122.94 1ajw s SER 124 Ca 0.40 -1.73 0.00 0.00 0.48 0.00 0.00 55.95 55.10 1ajw s SER 124 Cb 0.01 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1ajw s SER 124 CO 0.00 -1.71 0.00 0.61 0.98 0.00 0.00 173.24 173.12 1ajw n GLY 125 N 6.25 0.00 3.72 7.32 0.00 -1.25 -4.82 105.19 116.41 1ajw n GLY 125 Ca 0.41 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 1ajw n GLY 125 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ajw s MET 126 N 0.00 4.47 0.24 1.61 -1.94 -1.09 0.96 119.30 123.54 1ajw s MET 126 Ca 0.00 1.01 0.07 0.00 -1.71 0.00 0.00 55.69 55.06 1ajw s MET 126 Cb 0.00 -3.43 -0.05 0.00 2.01 0.00 0.00 34.83 33.36 1ajw s MET 126 CO 0.00 0.10 -0.10 0.21 -0.01 0.00 0.00 175.02 175.22 1ajw s LYS 127 N 0.64 1.42 -0.21 2.03 2.20 0.28 -0.50 119.74 125.60 1ajw s LYS 127 Ca 0.40 -1.68 -0.03 0.00 -0.36 0.00 0.00 55.97 54.30 1ajw s LYS 127 Cb -0.19 -1.10 0.07 0.00 -1.51 0.00 0.00 37.83 35.10 1ajw s LYS 127 CO 0.21 0.11 0.06 -0.47 -0.36 0.00 0.00 175.35 174.90 1ajw s TYR 128 N -3.02 0.78 0.28 4.03 5.04 0.28 -3.12 117.35 121.63 1ajw s TYR 128 Ca 0.26 -0.78 0.06 0.00 -2.44 0.00 0.00 57.07 54.17 1ajw s TYR 128 Cb 0.02 -0.98 -0.03 0.00 0.35 0.00 0.00 41.96 41.32 1ajw s TYR 128 CO 0.09 -0.62 0.32 0.42 -1.34 0.00 0.00 175.55 174.42 1ajw s ILE 129 N 1.94 4.49 -0.27 3.14 1.01 -1.18 0.10 121.20 130.43 1ajw s ILE 129 Ca 0.02 -1.18 -0.20 0.00 0.00 0.00 0.00 60.65 59.29 1ajw s ILE 129 Cb -0.17 -3.52 0.07 0.00 0.01 0.00 0.00 42.46 38.86 1ajw s ILE 129 CO -0.12 -0.27 0.68 -1.58 0.00 0.00 0.00 174.94 173.64 1ajw s GLN 130 N -3.98 0.75 -0.14 2.79 0.74 -0.64 -2.17 119.66 117.00 1ajw s GLN 130 Ca 0.37 1.08 -0.02 0.00 0.05 0.00 0.00 55.36 56.84 1ajw s GLN 130 Cb -0.08 0.26 -0.02 0.00 1.10 0.00 0.00 33.01 34.26 1ajw s GLN 130 CO 0.28 -0.12 -0.08 -1.01 -0.55 0.00 0.00 175.29 173.81 1ajw s HIS 131 N 1.01 2.93 -1.35 1.67 3.76 0.23 -1.67 115.29 121.87 1ajw s HIS 131 Ca -0.05 -0.42 -0.13 0.00 -0.15 0.00 0.00 55.06 54.31 1ajw s HIS 131 Cb -0.05 -1.89 0.10 0.00 1.11 0.00 0.00 32.58 31.85 1ajw s HIS 131 CO -0.09 -0.08 1.95 2.41 -0.85 0.00 0.00 174.74 178.07 1ajw n THR 132 N 3.43 3.92 -1.96 1.30 -1.04 0.31 -1.50 114.28 118.74 1ajw n THR 132 Ca -0.18 -3.84 -0.41 0.00 -2.04 0.00 0.00 64.05 57.58 1ajw n THR 132 Cb 0.53 -2.47 -0.02 0.00 -1.82 0.00 0.00 70.33 66.55 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 2.19 2.90 -0.27 -1.42 1.51 0.13 -2.88 117.35 119.51 1ajw s TYR 133 Ca 0.45 1.12 0.03 0.00 -1.01 0.00 0.00 57.07 57.66 1ajw s TYR 133 Cb 0.09 -3.86 0.07 0.00 -0.11 0.00 0.00 41.96 38.15 1ajw s TYR 133 CO -0.02 -2.65 -0.07 0.50 -1.11 0.00 0.00 175.55 172.20 1ajw s ARG 134 N -1.11 1.98 -1.44 -0.62 3.52 0.26 -0.51 118.95 121.02 1ajw s ARG 134 Ca 0.56 -1.41 -0.10 0.00 -0.13 0.00 0.00 55.73 54.65 1ajw s ARG 134 Cb -0.43 -2.90 0.06 0.00 -1.56 0.00 0.00 34.95 30.12 1ajw s ARG 134 CO 0.50 -0.66 0.70 1.17 -0.81 0.00 0.00 175.30 176.21 1ajw n LYS 135 N 4.43 -4.56 -1.70 5.12 3.00 -1.26 -1.36 118.16 121.83 1ajw n LYS 135 Ca -0.10 0.62 0.00 0.00 -0.00 0.00 0.00 58.31 58.83 1ajw n LYS 135 Cb 0.42 -5.44 0.00 0.00 0.00 0.00 0.00 35.03 30.02 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 -1.45 0.81 2.84 3.14 0.00 -1.26 -5.06 105.19 104.21 1ajw n GLY 136 Ca -0.01 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.27 -0.42 0.08 1.61 1.01 -0.46 -5.12 120.40 114.83 1ajw s VAL 137 Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 1ajw s VAL 137 Cb 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 36.38 35.61 1ajw s VAL 137 CO 0.00 -0.14 1.59 -1.59 0.00 0.00 0.00 175.10 174.96 1ajw s LYS 138 N 2.41 4.22 -0.01 2.72 0.00 -1.26 0.90 119.74 128.71 1ajw s LYS 138 Ca 0.08 2.27 0.03 0.00 0.00 0.00 0.00 55.97 58.36 1ajw s LYS 138 Cb -0.15 -3.48 -0.05 0.00 0.00 0.00 0.00 37.83 34.15 1ajw s LYS 138 CO -0.13 -0.67 0.06 0.44 0.00 0.00 0.00 175.35 175.06 1ajw n ILE 139 N 4.50 0.06 -3.64 3.79 -5.35 -1.14 -4.89 119.36 112.69 1ajw n ILE 139 Ca 0.15 -0.10 -0.05 0.00 -0.27 0.00 0.00 62.75 62.48 1ajw n ILE 139 Cb 0.41 0.05 -0.07 0.00 -1.74 0.00 0.00 39.64 38.29 1ajw n ILE 139 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1ajw s ASP 140 N -2.68 -0.54 0.01 7.28 1.01 -1.26 -5.00 116.67 115.48 1ajw s ASP 140 Ca -0.01 0.91 0.00 0.00 0.71 0.00 0.00 52.55 54.15 1ajw s ASP 140 Cb 0.02 1.15 -0.01 0.00 1.01 0.00 0.00 42.92 45.09 1ajw s ASP 140 CO 0.15 -0.15 -0.01 -1.59 0.21 0.00 0.00 175.17 173.77 1ajw s LYS 141 N 1.10 0.14 0.20 8.23 -2.85 -1.26 0.11 119.74 125.42 1ajw s LYS 141 Ca -0.06 -0.28 0.03 0.00 -1.00 0.00 0.00 55.97 54.66 1ajw s LYS 141 Cb -0.04 0.05 -0.05 0.00 -2.06 0.00 0.00 37.83 35.73 1ajw s LYS 141 CO -0.13 -0.02 -0.01 0.99 0.10 0.00 0.00 175.35 176.28 1ajw s THR 142 N -0.66 0.93 -0.21 3.79 2.01 -0.67 -4.96 115.64 115.86 1ajw s THR 142 Ca -0.07 -2.02 0.02 0.00 0.31 0.00 0.00 61.69 59.93 1ajw s THR 142 Cb -0.05 -2.23 0.04 0.00 0.01 0.00 0.00 72.50 70.28 1ajw s THR 142 CO -0.00 -0.41 -0.15 -1.81 -0.69 0.00 0.00 174.62 171.56 1ajw s ASP 143 N -3.25 3.68 0.01 3.53 1.11 -1.26 -1.62 116.67 118.87 1ajw s ASP 143 Ca 0.26 -0.98 -0.11 0.00 0.18 0.00 0.00 52.55 51.91 1ajw s ASP 143 Cb 0.05 -1.48 -0.05 0.00 1.07 0.00 0.00 42.92 42.51 1ajw s ASP 143 CO 0.06 -0.09 0.35 -0.31 1.18 0.00 0.00 175.17 176.36 1ajw s TYR 144 N 1.23 3.64 -0.30 4.23 2.02 0.28 -4.89 117.35 123.56 1ajw s TYR 144 Ca -0.01 0.80 -0.13 0.00 -0.37 0.00 0.00 57.07 57.35 1ajw s TYR 144 Cb -0.16 -2.15 -0.03 0.00 -0.40 0.00 0.00 41.96 39.21 1ajw s TYR 144 CO -0.09 0.62 0.29 1.41 -1.57 0.00 0.00 175.55 176.20 1ajw s MET 145 N -1.43 3.79 -0.07 -0.62 -2.45 -1.26 0.10 119.30 117.36 1ajw s MET 145 Ca 0.26 -0.32 -0.00 0.00 -1.25 0.00 0.00 55.69 54.38 1ajw s MET 145 Cb -0.15 -3.72 -0.00 0.00 1.25 0.00 0.00 34.83 32.21 1ajw s MET 145 CO 0.14 -0.34 0.02 0.28 1.05 0.00 0.00 175.02 176.17 1ajw h VAL 146 N 5.44 0.00 0.00 10.11 2.07 -1.12 -3.48 116.25 129.27 1ajw h VAL 146 Ca -0.32 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1ajw h VAL 146 Cb 1.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1ajw h VAL 146 CO 0.62 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.82 1ajw n GLY 147 N 1.80 1.02 3.85 2.17 0.00 -1.14 -4.99 105.19 107.91 1ajw n GLY 147 Ca -0.00 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 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 6.75 -0.12 1.61 1.04 -1.26 -2.66 113.70 119.07 1ajw s SER 148 Ca 0.00 1.16 -0.07 0.00 0.48 0.00 0.00 55.95 57.52 1ajw s SER 148 Cb 0.00 -2.32 0.04 0.00 0.10 0.00 0.00 66.02 63.84 1ajw s SER 148 CO 0.00 -0.12 0.29 -0.31 0.98 0.00 0.00 173.24 174.08 1ajw s TYR 149 N -1.85 -0.38 0.36 5.02 2.02 -1.18 -4.94 117.35 116.40 1ajw s TYR 149 Ca 0.50 0.87 -0.01 0.00 -0.37 0.00 0.00 57.07 58.06 1ajw s TYR 149 Cb -0.11 0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.51 1ajw s TYR 149 CO 0.19 -0.23 0.59 0.20 -1.57 0.00 0.00 175.55 174.73 1ajw s GLY 150 N 1.00 1.41 -0.82 0.71 0.00 -1.26 -1.43 107.32 106.94 1ajw s GLY 150 Ca -0.07 -0.81 -0.25 0.00 0.00 0.00 0.00 44.72 43.59 1ajw s GLY 150 CO -0.07 -0.72 1.74 2.56 0.00 0.00 0.00 173.10 176.60 1ajw s PRO 151 N -4.32 2.86 -0.18 2.90 0.04 -1.26 -4.75 135.00 130.28 1ajw s PRO 151 Ca 0.42 -0.19 0.15 0.00 0.04 0.00 0.00 61.00 61.42 1ajw s PRO 151 Cb -0.10 -4.81 0.41 0.00 0.04 0.00 0.00 34.50 30.05 1ajw s PRO 151 CO 0.37 -2.80 1.28 -2.13 0.04 0.00 0.00 177.00 173.76 1ajw n ARG 152 N 9.03 1.85 -1.77 4.56 0.63 -1.15 -4.88 116.66 124.93 1ajw n ARG 152 Ca 0.28 -2.88 -0.13 0.00 -0.92 0.00 0.00 57.85 54.20 1ajw n ARG 152 Cb 0.49 -1.66 -0.04 0.00 0.45 0.00 0.00 32.46 31.70 1ajw n ARG 152 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ajw n ALA 153 N -1.09 -0.40 -2.46 5.13 0.00 -1.24 -4.92 120.51 115.52 1ajw n ALA 153 Ca 0.21 0.17 -0.22 0.00 0.00 0.00 0.00 53.44 53.60 1ajw n ALA 153 Cb 0.78 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.67 1ajw n ALA 153 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ajw s GLU 154 N -3.81 1.66 0.30 0.00 0.41 -1.26 -5.01 118.70 110.99 1ajw s GLU 154 Ca 0.00 -1.91 0.06 0.00 -0.41 0.00 0.00 54.97 52.71 1ajw s GLU 154 Cb 0.00 -0.98 -0.02 0.00 -1.78 0.00 0.00 34.13 31.35 1ajw s GLU 154 CO 0.00 -0.14 0.42 -1.83 -0.49 0.00 0.00 175.26 173.23 1ajw s GLU 155 N -3.85 3.22 0.39 1.61 1.03 -1.26 -3.14 118.70 116.70 1ajw s GLU 155 Ca 0.35 -0.93 0.06 0.00 0.03 0.00 0.00 54.97 54.48 1ajw s GLU 155 Cb 0.08 -2.84 -0.07 0.00 -0.80 0.00 0.00 34.13 30.51 1ajw s GLU 155 CO 0.15 0.20 0.03 0.71 -1.33 0.00 0.00 175.26 175.02 1ajw s TYR 156 N -2.11 2.29 -0.26 4.83 1.51 0.24 -4.97 117.35 118.88 1ajw s TYR 156 Ca 0.41 -0.79 -0.03 0.00 -1.01 0.00 0.00 57.07 55.65 1ajw s TYR 156 Cb -0.09 -1.60 0.09 0.00 -0.11 0.00 0.00 41.96 40.25 1ajw s TYR 156 CO 0.30 0.28 0.09 -1.21 -1.11 0.00 0.00 175.55 173.90 1ajw s GLU 157 N -3.78 0.45 0.25 -0.62 0.41 -1.26 -3.15 118.70 111.00 1ajw s GLU 157 Ca 0.34 -0.63 -0.14 0.00 -0.41 0.00 0.00 54.97 54.13 1ajw s GLU 157 Cb 0.09 -1.71 -0.08 0.00 -1.78 0.00 0.00 34.13 30.65 1ajw s GLU 157 CO 0.16 -0.89 0.64 0.12 -0.49 0.00 0.00 175.26 174.81 1ajw s PHE 158 N 1.90 3.47 -0.18 1.61 5.36 0.11 -4.92 117.98 125.32 1ajw s PHE 158 Ca 0.06 1.10 -0.02 0.00 -0.96 0.00 0.00 56.93 57.11 1ajw s PHE 158 Cb -0.17 -2.43 0.06 0.00 -0.34 0.00 0.00 43.02 40.14 1ajw s PHE 158 CO -0.24 0.24 0.02 -1.17 -1.46 0.00 0.00 175.22 172.61 1ajw s LEU 159 N -2.61 1.27 0.35 6.12 1.98 -1.26 -0.82 118.68 123.72 1ajw s LEU 159 Ca 0.48 -0.77 -0.13 0.00 -2.89 0.00 0.00 54.13 50.81 1ajw s LEU 159 Cb -0.12 -0.65 -0.08 0.00 0.66 0.00 0.00 46.19 45.99 1ajw s LEU 159 CO 0.19 -0.28 0.75 0.42 -1.89 0.00 0.00 176.35 175.54 1ajw s THR 160 N 1.81 4.71 0.98 3.68 -4.23 0.28 -4.97 115.64 117.90 1ajw s THR 160 Ca -0.01 0.84 -0.12 0.00 -1.18 0.00 0.00 61.69 61.23 1ajw s THR 160 Cb -0.17 -3.65 0.18 0.00 1.34 0.00 0.00 72.50 70.20 1ajw s THR 160 CO -0.08 -0.31 1.08 -2.16 -0.54 0.00 0.00 174.62 172.62 1ajw s PRO 161 N -3.29 0.56 1.12 3.99 0.04 -1.26 -3.27 135.00 132.89 1ajw s PRO 161 Ca 0.53 0.93 -0.16 0.00 0.04 0.00 0.00 61.00 62.34 1ajw s PRO 161 Cb -0.10 -1.72 0.16 0.00 0.04 0.00 0.00 34.50 32.88 1ajw s PRO 161 CO 0.22 -2.75 0.36 -1.33 0.04 0.00 0.00 177.00 173.54 1ajw n MET 162 N -4.25 -1.77 -3.68 4.56 2.81 -1.26 -4.25 117.12 109.27 1ajw n MET 162 Ca 0.07 -0.49 -0.14 0.00 -1.81 0.00 0.00 57.70 55.33 1ajw n MET 162 Cb 0.55 -1.86 -0.09 0.00 -0.71 0.00 0.00 33.22 31.11 1ajw n MET 162 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1ajw s GLU 163 N -3.77 0.66 -0.15 0.03 0.41 0.31 -4.76 118.70 111.42 1ajw s GLU 163 Ca 0.60 0.76 -0.15 0.00 -0.41 0.00 0.00 54.97 55.78 1ajw s GLU 163 Cb -0.17 0.32 -0.05 0.00 -1.78 0.00 0.00 34.13 32.46 1ajw s GLU 163 CO 0.66 -0.08 0.33 -1.83 -0.49 0.00 0.00 175.26 173.85 1ajw s GLU 164 N 0.26 4.28 1.02 1.61 -1.05 -1.25 0.82 118.70 124.40 1ajw s GLU 164 Ca -0.00 0.17 -0.17 0.00 -0.15 0.00 0.00 54.97 54.81 1ajw s GLU 164 Cb -0.04 -3.43 0.23 0.00 -0.44 0.00 0.00 34.13 30.45 1ajw s GLU 164 CO 0.01 0.21 1.29 0.00 0.95 0.00 0.00 175.26 177.72 1ajw s ALA 165 N 0.53 1.88 1.05 -0.84 0.00 -1.03 -4.81 121.76 118.54 1ajw s ALA 165 Ca 0.18 -1.19 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 1ajw s ALA 165 Cb -0.13 -2.78 0.09 0.00 0.00 0.00 0.00 23.12 20.29 1ajw s ALA 165 CO 0.05 -2.73 0.38 -0.35 0.00 0.00 0.00 175.76 173.11 1ajw n PRO 166 N -4.00 -1.25 -1.18 0.00 -0.04 -1.26 -2.77 135.00 124.51 1ajw n PRO 166 Ca 0.15 -0.59 -0.20 0.00 -0.04 0.00 0.00 63.50 62.83 1ajw n PRO 166 Cb 0.59 -0.49 0.14 0.00 -0.04 0.00 0.00 33.50 33.70 1ajw n PRO 166 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ajw n LYS 167 N -2.34 -1.12 -0.07 0.54 4.76 -1.26 0.11 118.16 118.78 1ajw n LYS 167 Ca 0.05 -1.34 -0.06 0.00 -2.87 0.00 0.00 58.31 54.09 1ajw n LYS 167 Cb 0.19 -0.94 -0.02 0.00 -1.84 0.00 0.00 35.03 32.41 1ajw n LYS 167 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ajw n GLY 168 N -1.04 -0.72 3.77 0.72 0.00 -1.26 -3.95 105.19 102.70 1ajw n GLY 168 Ca 0.11 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1ajw n GLY 168 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ajw s MET 169 N -2.44 3.87 0.00 1.61 -1.94 -1.26 0.29 119.30 119.42 1ajw s MET 169 Ca -0.20 2.46 0.00 0.00 -1.71 0.00 0.00 55.69 56.24 1ajw s MET 169 Cb 0.03 -2.78 0.00 0.00 2.01 0.00 0.00 34.83 34.08 1ajw s MET 169 CO 0.30 -0.69 0.00 -0.11 -0.01 0.00 0.00 175.02 174.51 1ajw n LEU 170 N 0.08 0.00 0.27 -0.03 0.00 -1.26 -4.14 117.00 111.92 1ajw n LEU 170 Ca 0.03 0.00 0.18 0.00 0.00 0.00 0.00 56.01 56.22 1ajw n LEU 170 Cb 0.41 0.00 0.94 0.00 0.00 0.00 0.00 43.42 44.77 1ajw n LEU 170 CO 0.61 0.00 1.04 0.00 0.00 0.00 0.00 177.39 179.03 1ajw h ALA 171 N 0.00 1.02 -2.96 1.96 0.00 -1.76 -3.43 119.26 114.08 1ajw h ALA 171 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1ajw h ALA 171 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 17.79 17.94 1ajw h ALA 171 CO 0.00 -0.02 0.42 0.54 0.00 0.00 0.00 179.25 180.19 1ajw n ARG 172 N -2.72 1.28 0.00 0.00 1.74 0.14 -4.71 116.66 112.40 1ajw n ARG 172 Ca -0.02 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1ajw n ARG 172 Cb 0.08 -2.42 0.00 0.00 -1.02 0.00 0.00 32.46 29.09 1ajw n ARG 172 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ajw n GLY 173 N 0.97 1.37 3.75 -0.13 0.00 -1.20 -4.88 105.19 105.08 1ajw n GLY 173 Ca 0.13 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 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 0.00 7.00 -0.22 1.61 1.04 -1.26 -0.77 113.70 121.09 1ajw s SER 174 Ca 0.00 1.19 -0.00 0.00 0.48 0.00 0.00 55.95 57.61 1ajw s SER 174 Cb 0.00 -2.38 0.02 0.00 0.10 0.00 0.00 66.02 63.76 1ajw s SER 174 CO 0.00 0.06 -0.11 -0.31 0.98 0.00 0.00 173.24 173.86 1ajw s TYR 175 N -0.04 2.98 0.52 5.02 1.51 -0.14 -4.29 117.35 122.92 1ajw s TYR 175 Ca 0.32 -1.60 -0.22 0.00 -1.01 0.00 0.00 57.07 54.56 1ajw s TYR 175 Cb -0.18 -2.00 -0.06 0.00 -0.11 0.00 0.00 41.96 39.61 1ajw s TYR 175 CO 0.18 -0.75 1.35 -0.80 -1.11 0.00 0.00 175.55 174.41 1ajw s ASN 176 N 1.31 5.46 -0.25 2.29 -0.87 0.33 0.10 114.94 123.30 1ajw s ASN 176 Ca 0.01 2.74 0.01 0.00 -1.57 0.00 0.00 52.86 54.05 1ajw s ASN 176 Cb -0.15 -2.63 0.07 0.00 -0.02 0.00 0.00 41.25 38.51 1ajw s ASN 176 CO -0.07 -1.44 -0.04 -0.63 -2.57 0.00 0.00 177.10 172.35 1ajw s ILE 177 N -1.31 1.60 -0.78 0.60 -1.09 0.16 0.22 121.20 120.59 1ajw s ILE 177 Ca 0.69 -1.38 -0.21 0.00 -2.23 0.00 0.00 60.65 57.52 1ajw s ILE 177 Cb -0.40 -1.91 0.09 0.00 -1.58 0.00 0.00 42.46 38.67 1ajw s ILE 177 CO 0.48 -0.19 1.05 -0.75 -1.23 0.00 0.00 174.94 174.30 1ajw s LYS 178 N 1.34 3.32 -0.24 2.79 2.20 -0.56 -2.98 119.74 125.62 1ajw s LYS 178 Ca -0.03 -1.21 -0.10 0.00 -0.36 0.00 0.00 55.97 54.26 1ajw s LYS 178 Cb -0.19 -4.56 -0.05 0.00 -1.51 0.00 0.00 37.83 31.52 1ajw s LYS 178 CO -0.08 -1.82 0.16 -1.12 -0.36 0.00 0.00 175.35 172.13 1ajw s SER 179 N 3.74 6.12 -0.31 1.43 0.01 -1.19 -0.60 113.70 122.91 1ajw s SER 179 Ca 0.27 0.12 -0.00 0.00 1.31 0.00 0.00 55.95 57.65 1ajw s SER 179 Cb -0.11 -2.10 0.06 0.00 0.21 0.00 0.00 66.02 64.08 1ajw s SER 179 CO 0.01 0.07 0.01 -0.60 0.41 0.00 0.00 173.24 173.14 1ajw s ARG 180 N 1.02 2.25 0.10 12.44 3.52 -0.92 -2.38 118.95 134.98 1ajw s ARG 180 Ca 0.08 -1.41 -0.26 0.00 -0.13 0.00 0.00 55.73 54.01 1ajw s ARG 180 Cb -0.13 -3.18 -0.06 0.00 -1.56 0.00 0.00 34.95 30.01 1ajw s ARG 180 CO 0.04 -0.70 0.80 0.12 -0.81 0.00 0.00 175.30 174.75 1ajw s PHE 181 N 1.18 3.81 0.03 5.12 5.36 0.29 -3.12 117.98 130.65 1ajw s PHE 181 Ca -0.03 1.58 -0.09 0.00 -0.96 0.00 0.00 56.93 57.44 1ajw s PHE 181 Cb -0.20 -2.83 0.03 0.00 -0.34 0.00 0.00 43.02 39.68 1ajw s PHE 181 CO -0.03 0.36 0.42 -2.37 -1.46 0.00 0.00 175.22 172.14 1ajw n THR 182 N 2.33 0.00 -1.97 0.12 5.66 -1.18 -1.72 114.28 117.51 1ajw n THR 182 Ca -0.03 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1ajw n THR 182 Cb 0.49 0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 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 -0.66 0.47 0.34 1.09 5.75 -1.26 -0.56 116.55 121.72 1ajw n ASP 183 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.60 1ajw n ASP 183 Cb 0.21 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.21 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 -1.25 0.00 -1.12 5.19 0.27 -3.40 116.42 116.10 1ajw h ASP 184 Ca 0.00 0.09 -0.04 0.00 -0.62 0.00 0.00 57.03 56.46 1ajw h ASP 184 Cb 0.00 0.40 -0.04 0.00 0.18 0.00 0.00 39.33 39.86 1ajw h ASP 184 CO 0.00 -0.67 -0.09 0.47 -3.12 0.00 0.00 179.24 175.82 1ajw n ASP 185 N -5.57 -0.32 0.11 6.45 8.00 -1.26 -4.99 116.55 118.96 1ajw n ASP 185 Ca -0.13 -0.75 -0.19 0.00 0.71 0.00 0.00 54.79 54.43 1ajw n ASP 185 Cb 0.46 0.10 -0.13 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 0.42 0.00 -1.24 2.47 -1.97 -3.49 114.38 110.57 1ajw h ARG 186 Ca -0.18 -0.66 0.00 0.00 -1.26 0.00 0.00 59.98 57.88 1ajw h ARG 186 Cb 0.78 0.24 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1ajw h ARG 186 CO -0.09 1.30 0.00 -2.37 0.56 0.00 0.00 179.97 179.37 1ajw n THR 187 N -3.65 0.00 -3.99 2.04 5.66 -1.26 -5.11 114.28 107.97 1ajw n THR 187 Ca -0.12 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.54 1ajw n THR 187 Cb 1.02 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.65 1ajw n THR 187 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ajw s ASP 188 N 1.54 3.93 -0.02 1.09 -1.08 -1.26 -4.24 116.67 116.63 1ajw s ASP 188 Ca 0.00 -0.59 -0.06 0.00 -0.52 0.00 0.00 52.55 51.38 1ajw s ASP 188 Cb 0.00 -1.64 -0.03 0.00 -1.46 0.00 0.00 42.92 39.79 1ajw s ASP 188 CO 0.00 -0.04 0.43 0.45 0.52 0.00 0.00 175.17 176.53 1ajw h HIS 189 N 8.03 -0.20 -1.67 -5.34 3.86 -1.64 -3.49 115.15 114.71 1ajw h HIS 189 Ca -0.41 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 58.88 1ajw h HIS 189 Cb 1.14 0.07 -0.22 0.00 1.06 0.00 0.00 27.41 29.46 1ajw h HIS 189 CO 0.55 -0.12 0.53 -1.17 0.86 0.00 0.00 177.93 178.58 1ajw s LEU 190 N -6.34 -0.37 -0.05 2.43 2.96 -0.81 -4.98 118.68 111.52 1ajw s LEU 190 Ca -0.03 0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 54.10 1ajw s LEU 190 Cb 0.00 1.90 0.02 0.00 0.50 0.00 0.00 46.19 48.61 1ajw s LEU 190 CO 0.09 -0.38 0.30 -0.44 -1.32 0.00 0.00 176.35 174.60 1ajw s SER 191 N -1.31 -0.23 0.00 3.68 0.01 -1.26 0.10 113.70 114.70 1ajw s SER 191 Ca -0.01 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1ajw s SER 191 Cb -0.01 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1ajw s SER 191 CO 0.00 -0.33 0.00 -2.67 0.41 0.00 0.00 173.24 170.66 1ajw n TRP 192 N 1.85 -0.00 -3.66 2.43 2.14 -1.00 -5.00 117.44 114.20 1ajw n TRP 192 Ca -0.19 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.32 1ajw n TRP 192 Cb 0.57 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 30.98 1ajw n TRP 192 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1ajw s GLU 193 N 0.14 0.42 0.05 -2.67 2.02 -1.26 -3.15 118.70 114.25 1ajw s GLU 193 Ca 0.00 1.12 0.04 0.00 0.02 0.00 0.00 54.97 56.15 1ajw s GLU 193 Cb 0.00 0.41 -0.02 0.00 0.10 0.00 0.00 34.13 34.61 1ajw s GLU 193 CO 0.00 -0.22 -0.12 1.67 0.02 0.00 0.00 175.26 176.61 1ajw s TRP 194 N 2.47 1.03 0.23 1.61 1.48 -1.16 -4.14 118.94 120.46 1ajw s TRP 194 Ca -0.04 -0.42 -0.12 0.00 -1.06 0.00 0.00 56.10 54.45 1ajw s TRP 194 Cb -0.11 -0.60 -0.08 0.00 -1.16 0.00 0.00 33.47 31.52 1ajw s TRP 194 CO -0.15 0.01 0.59 -0.80 -4.06 0.00 0.00 176.95 172.55 1ajw s ASN 195 N -1.45 6.72 -0.35 -2.66 0.01 -1.26 0.37 114.94 116.33 1ajw s ASN 195 Ca -0.03 1.05 0.01 0.00 -0.71 0.00 0.00 52.86 53.18 1ajw s ASN 195 Cb -0.09 -2.28 0.09 0.00 0.41 0.00 0.00 41.25 39.39 1ajw s ASN 195 CO 0.01 -0.05 0.07 -0.22 -1.51 0.00 0.00 177.10 175.40 1ajw s LEU 196 N -2.61 4.68 0.10 0.60 2.96 0.28 -3.10 118.68 121.58 1ajw s LEU 196 Ca 0.46 -1.95 -0.30 0.00 -0.22 0.00 0.00 54.13 52.12 1ajw s LEU 196 Cb -0.12 -1.69 -0.06 0.00 0.50 0.00 0.00 46.19 44.82 1ajw s LEU 196 CO 0.20 -0.39 1.14 -0.89 -1.32 0.00 0.00 176.35 175.09 1ajw s THR 197 N 1.03 4.06 0.04 3.68 2.01 -0.13 -0.97 115.64 125.36 1ajw s THR 197 Ca 0.06 1.57 0.02 0.00 0.31 0.00 0.00 61.69 63.65 1ajw s THR 197 Cb -0.20 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1ajw s THR 197 CO -0.06 0.18 0.06 -0.63 -0.69 0.00 0.00 174.62 173.47 1ajw s ILE 198 N 0.59 4.46 0.00 1.82 -1.09 0.05 -0.81 121.20 126.23 1ajw s ILE 198 Ca 0.55 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 1ajw s ILE 198 Cb -0.29 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 1ajw s ILE 198 CO 0.31 0.23 0.00 1.17 -1.23 0.00 0.00 174.94 175.43 1ajw n LYS 199 N 0.84 0.00 0.00 2.79 4.81 0.30 -3.21 118.16 123.69 1ajw n LYS 199 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1ajw n LYS 199 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1ajw n LYS 199 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1ajw n LYS 200 N 0.00 2.71 -2.85 1.64 4.81 -1.26 -0.04 118.16 123.17 1ajw n LYS 200 Ca 0.00 -0.04 -0.11 0.00 -0.87 0.00 0.00 58.31 57.29 1ajw n LYS 200 Cb 0.00 -0.31 0.05 0.00 0.02 0.00 0.00 35.03 34.78 1ajw n LYS 200 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ajw n GLU 201 N -0.40 0.93 0.00 1.64 1.02 -1.26 -4.72 120.64 117.86 1ajw n GLU 201 Ca 0.00 -2.22 0.09 0.00 -0.02 0.00 0.00 57.16 55.01 1ajw n GLU 201 Cb 0.02 -1.26 0.44 0.00 -0.02 0.00 0.00 31.44 30.62 1ajw n GLU 201 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1ajw n TRP 202 N 0.73 0.00 -2.69 -0.32 4.27 -1.26 -3.91 117.44 114.27 1ajw n TRP 202 Ca 0.11 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.66 1ajw n TRP 202 Cb 0.66 -0.34 0.11 0.00 -1.36 0.00 0.00 31.31 30.38 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 -1.34 1.10 0.00 -2.67 3.00 -1.26 -4.77 118.16 112.22 1ajw n LYS 203 Ca 0.08 -1.55 0.00 0.00 -0.00 0.00 0.00 58.31 56.84 1ajw n LYS 203 Cb 0.16 0.05 0.00 0.00 0.00 0.00 0.00 35.03 35.24 1ajw n LYS 203 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15