#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 -0.28 -3.30 0.00 0.31 -1.26 -4.66 118.33 109.14 1ajw n VAL 61 Ca 0.00 0.56 -0.43 0.00 -0.01 0.00 0.00 64.34 64.46 1ajw n VAL 61 Cb 0.00 -0.98 -0.08 0.00 -0.91 0.00 0.00 33.84 31.86 1ajw n VAL 61 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ajw s SER 62 N -6.75 6.21 0.00 4.52 0.01 -1.26 -5.03 113.70 111.41 1ajw s SER 62 Ca 0.00 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1ajw s SER 62 Cb 0.00 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.00 1ajw s SER 62 CO 0.00 -0.59 0.00 0.00 0.41 0.00 0.00 173.24 173.06 1ajw n ALA 63 N 5.67 0.00 -1.99 1.44 0.00 -1.26 -5.08 120.51 119.29 1ajw n ALA 63 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ajw n ALA 63 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1ajw n ALA 63 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ajw n ASP 64 N 0.00 -8.65 -2.92 0.00 -0.08 -1.26 -5.00 116.55 98.64 1ajw n ASP 64 Ca 0.00 1.31 0.00 0.00 -1.51 0.00 0.00 54.79 54.59 1ajw n ASP 64 Cb 0.00 -4.88 0.00 0.00 2.34 0.00 0.00 41.12 38.58 1ajw n ASP 64 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1ajw n PRO 65 N 1.79 -0.01 -1.69 -0.67 -0.04 -1.26 -4.88 135.00 128.25 1ajw n PRO 65 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1ajw n PRO 65 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 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 -1.59 4.07 -4.22 3.54 5.15 -1.26 -4.99 115.26 115.96 1ajw n ASN 66 Ca 0.00 0.98 -0.25 0.00 -0.60 0.00 0.00 54.58 54.71 1ajw n ASN 66 Cb 0.00 -1.55 -0.14 0.00 -0.53 0.00 0.00 39.78 37.56 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 2.77 1.57 0.00 3.44 0.11 -1.26 -5.15 120.40 121.88 1ajw s VAL 67 Ca 0.82 -1.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1ajw s VAL 67 Cb -0.48 -1.35 0.00 0.00 -1.53 0.00 0.00 36.38 33.02 1ajw s VAL 67 CO 0.37 0.24 0.00 -0.81 -3.33 0.00 0.00 175.10 171.57 1ajw n PRO 68 N 2.05 0.26 -0.30 1.54 -0.04 -1.26 -5.02 135.00 132.23 1ajw n PRO 68 Ca -0.17 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.32 1ajw n PRO 68 Cb 0.53 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.04 1ajw n PRO 68 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1ajw n ASN 69 N -1.17 0.81 -1.62 3.54 6.94 -1.26 -4.82 115.26 117.68 1ajw n ASN 69 Ca 0.00 -2.25 0.02 0.00 -0.02 0.00 0.00 54.58 52.33 1ajw n ASN 69 Cb 0.00 -0.24 0.01 0.00 -2.36 0.00 0.00 39.78 37.19 1ajw n ASN 69 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1ajw n VAL 70 N -0.46 0.16 -1.80 3.53 0.31 -1.21 -3.34 118.33 115.51 1ajw n VAL 70 Ca 0.05 -1.08 -0.40 0.00 -0.01 0.00 0.00 64.34 62.89 1ajw n VAL 70 Cb 0.64 0.96 0.01 0.00 -0.91 0.00 0.00 33.84 34.54 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 -0.47 2.06 0.09 2.52 1.01 -1.26 -4.70 120.40 119.66 1ajw s VAL 71 Ca 0.27 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 1ajw s VAL 71 Cb 0.32 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 1ajw s VAL 71 CO -0.13 0.01 1.69 -0.69 0.00 0.00 0.00 175.10 175.98 1ajw s VAL 72 N -1.16 2.89 -0.11 2.92 1.01 -1.26 -2.96 120.40 121.74 1ajw s VAL 72 Ca 0.56 0.38 -0.05 0.00 0.00 0.00 0.00 61.98 62.88 1ajw s VAL 72 Cb -0.45 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1ajw s VAL 72 CO 0.60 0.00 0.04 0.71 0.00 0.00 0.00 175.10 176.45 1ajw h THR 73 N 4.73 0.17 -2.58 3.92 1.35 -1.05 -3.37 112.91 116.09 1ajw h THR 73 Ca -0.43 -1.14 -0.04 0.00 -0.55 0.00 0.00 66.41 64.24 1ajw h THR 73 Cb 1.20 0.34 -0.15 0.00 -1.73 0.00 0.00 68.15 67.81 1ajw h THR 73 CO 0.93 0.06 0.18 -0.13 -0.25 0.00 0.00 175.52 176.31 1ajw s ARG 74 N -1.75 1.16 -0.11 4.72 3.00 -1.19 -2.73 118.95 122.05 1ajw s ARG 74 Ca -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 55.73 55.52 1ajw s ARG 74 Cb 0.00 0.54 -0.03 0.00 0.00 0.00 0.00 34.95 35.47 1ajw s ARG 74 CO 0.11 -0.45 -0.08 -1.17 0.00 0.00 0.00 175.30 173.72 1ajw s LEU 75 N -2.04 3.07 0.19 2.53 0.20 0.08 -1.77 118.68 120.93 1ajw s LEU 75 Ca -0.04 -0.14 0.07 0.00 0.69 0.00 0.00 54.13 54.70 1ajw s LEU 75 Cb -0.01 -1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 44.02 1ajw s LEU 75 CO -0.03 0.24 0.04 -0.89 -0.29 0.00 0.00 176.35 175.43 1ajw s THR 76 N -0.09 3.90 -0.20 3.68 2.01 -0.97 0.73 115.64 124.70 1ajw s THR 76 Ca 0.01 -1.40 -0.04 0.00 0.31 0.00 0.00 61.69 60.56 1ajw s THR 76 Cb -0.13 -2.99 0.08 0.00 0.01 0.00 0.00 72.50 69.46 1ajw s THR 76 CO 0.03 -0.16 0.14 -0.76 -0.69 0.00 0.00 174.62 173.18 1ajw s LEU 77 N -3.12 0.24 0.27 4.42 1.43 -1.09 -2.74 118.68 118.08 1ajw s LEU 77 Ca 0.29 -0.63 0.11 0.00 -1.03 0.00 0.00 54.13 52.86 1ajw s LEU 77 Cb -0.09 -0.07 -0.05 0.00 0.03 0.00 0.00 46.19 46.01 1ajw s LEU 77 CO 0.20 -0.36 -0.17 -0.69 0.23 0.00 0.00 176.35 175.56 1ajw s VAL 78 N 2.19 2.25 0.00 -1.59 1.01 -0.82 -3.16 120.40 120.28 1ajw s VAL 78 Ca 0.05 -2.34 0.00 0.00 0.00 0.00 0.00 61.98 59.69 1ajw s VAL 78 Cb -0.16 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1ajw s VAL 78 CO -0.15 -0.43 0.00 0.00 0.00 0.00 0.00 175.10 174.52 1ajw n SER 80 N -0.93 0.00 -1.44 0.00 3.41 -1.26 -4.87 113.62 108.53 1ajw n SER 80 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 1ajw n SER 80 Cb 0.00 0.13 0.10 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.66 2.02 -2.33 6.66 -2.24 -1.26 -5.06 114.28 110.41 1ajw n THR 81 Ca 0.00 -3.37 -0.25 0.00 -2.27 0.00 0.00 64.05 58.17 1ajw n THR 81 Cb 0.00 -0.32 0.09 0.00 -2.10 0.00 0.00 70.33 68.00 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 -3.10 3.29 0.23 6.98 0.00 -1.26 -4.59 121.76 123.31 1ajw s ALA 82 Ca 0.42 -1.23 0.13 0.00 0.00 0.00 0.00 51.96 51.28 1ajw s ALA 82 Cb 0.38 -2.39 0.47 0.00 0.00 0.00 0.00 23.12 21.59 1ajw s ALA 82 CO -0.04 -1.41 1.66 -1.00 0.00 0.00 0.00 175.76 174.97 1ajw h PRO 83 N -0.62 0.00 0.00 0.00 0.13 -1.97 -3.49 132.00 126.06 1ajw h PRO 83 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1ajw h PRO 83 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ajw h PRO 83 CO 0.51 0.53 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 1ajw n GLY 84 N 0.24 1.42 3.56 1.56 0.00 -1.26 -5.07 105.19 105.64 1ajw n GLY 84 Ca -0.01 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 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 2.96 -0.00 1.61 0.04 -1.26 -4.81 135.00 131.53 1ajw s PRO 85 Ca 0.00 0.62 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 1ajw s PRO 85 Cb 0.00 -4.27 -0.07 0.00 0.04 0.00 0.00 34.50 30.20 1ajw s PRO 85 CO 0.00 -2.34 1.73 -0.51 0.04 0.00 0.00 177.00 175.92 1ajw s LEU 86 N 7.68 4.36 -0.51 -3.56 1.43 -1.19 -4.63 118.68 122.26 1ajw s LEU 86 Ca 0.62 2.41 -0.17 0.00 -1.03 0.00 0.00 54.13 55.96 1ajw s LEU 86 Cb -0.13 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.63 1ajw s LEU 86 CO 0.23 -0.95 0.52 -1.61 0.23 0.00 0.00 176.35 174.77 1ajw s GLU 87 N 3.81 3.03 -0.23 1.70 2.02 -1.25 -2.66 118.70 125.11 1ajw s GLU 87 Ca 0.77 -1.31 -0.29 0.00 0.02 0.00 0.00 54.97 54.16 1ajw s GLU 87 Cb -0.37 -4.18 0.01 0.00 0.10 0.00 0.00 34.13 29.69 1ajw s GLU 87 CO 0.33 -1.21 1.03 -1.17 0.02 0.00 0.00 175.26 174.26 1ajw s LEU 88 N 2.03 4.09 0.06 1.80 0.20 0.22 -4.77 118.68 122.30 1ajw s LEU 88 Ca 0.08 1.35 -0.31 0.00 0.69 0.00 0.00 54.13 55.94 1ajw s LEU 88 Cb -0.24 -3.53 -0.06 0.00 -0.43 0.00 0.00 46.19 41.93 1ajw s LEU 88 CO 0.07 -0.67 1.23 -0.62 -0.29 0.00 0.00 176.35 176.07 1ajw s ASP 89 N 1.23 7.03 -0.39 3.68 2.15 -1.26 -0.75 116.67 128.37 1ajw s ASP 89 Ca 0.44 2.04 0.12 0.00 0.43 0.00 0.00 52.55 55.59 1ajw s ASP 89 Cb -0.15 -2.58 0.41 0.00 -0.30 0.00 0.00 42.92 40.31 1ajw s ASP 89 CO 0.07 -0.51 0.93 0.18 -0.17 0.00 0.00 175.17 175.66 1ajw n LEU 90 N 4.09 2.29 0.00 -1.34 4.77 -1.11 -4.84 117.00 120.87 1ajw n LEU 90 Ca 0.10 -4.56 0.00 0.00 -0.03 0.00 0.00 56.01 51.52 1ajw n LEU 90 Cb 0.46 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1ajw n LEU 90 CO 0.56 1.97 0.00 0.35 -1.33 0.00 0.00 177.39 178.94 1ajw n THR 91 N -0.08 0.00 0.00 -5.08 -2.24 -1.26 -4.28 114.28 101.34 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 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 1.45 0.43 3.63 3.38 0.00 -1.26 -4.94 105.19 107.88 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 0.99 0.00 0.00 0.00 173.32 174.31 1ajw s ASP 93 N -0.89 5.96 -0.08 1.61 1.11 -1.26 -4.84 116.67 118.28 1ajw s ASP 93 Ca 0.00 2.22 0.13 0.00 0.18 0.00 0.00 52.55 55.08 1ajw s ASP 93 Cb 0.00 -2.52 -0.23 0.00 1.07 0.00 0.00 42.92 41.23 1ajw s ASP 93 CO 0.00 -1.51 0.52 0.18 1.18 0.00 0.00 175.17 175.54 1ajw n LEU 94 N 9.64 0.78 0.08 1.23 4.77 -1.26 -4.00 117.00 128.24 1ajw n LEU 94 Ca 0.25 0.32 0.08 0.00 -0.03 0.00 0.00 56.01 56.63 1ajw n LEU 94 Cb 0.43 0.18 0.38 0.00 -2.33 0.00 0.00 43.42 42.09 1ajw n LEU 94 CO 0.67 0.43 0.76 -0.62 -1.33 0.00 0.00 177.39 177.30 1ajw n GLU 95 N -3.00 0.10 0.33 3.23 4.71 -1.26 -2.84 120.64 121.90 1ajw n GLU 95 Ca -0.21 0.44 0.19 0.00 -0.01 0.00 0.00 57.16 57.57 1ajw n GLU 95 Cb 1.07 -1.73 1.00 0.00 -1.01 0.00 0.00 31.44 30.77 1ajw n GLU 95 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1ajw h SER 96 N 0.00 0.00 0.25 1.62 0.02 -1.97 -0.30 113.55 113.17 1ajw h SER 96 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1ajw h SER 96 Cb 0.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1ajw h SER 96 CO 0.00 0.00 -0.36 -0.26 -1.14 0.00 0.00 176.83 175.07 1ajw h PHE 97 N 0.00 0.20 -0.48 3.45 0.04 -1.75 -2.19 116.94 116.21 1ajw h PHE 97 Ca 0.00 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1ajw h PHE 97 Cb 0.36 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 1ajw h PHE 97 CO 0.00 0.52 0.23 0.87 -0.60 0.00 0.00 178.31 179.33 1ajw h LYS 98 N 0.15 0.67 0.00 1.51 1.57 -1.30 -2.59 116.57 116.58 1ajw h LYS 98 Ca 0.02 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1ajw h LYS 98 Cb 0.72 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1ajw h LYS 98 CO 0.05 0.52 -1.12 0.87 -0.57 0.00 0.00 179.45 179.21 1ajw h LYS 99 N 0.68 0.00 -4.91 3.15 1.57 -1.62 -3.45 116.57 111.98 1ajw h LYS 99 Ca 0.17 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.34 1ajw h LYS 99 Cb 0.07 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.04 1ajw h LYS 99 CO -0.02 0.34 -0.85 -0.65 -0.57 0.00 0.00 179.45 177.69 1ajw s GLN 100 N -2.96 2.47 0.27 3.15 -0.21 -0.85 -5.13 119.66 116.40 1ajw s GLN 100 Ca -0.01 -0.66 0.10 0.00 0.02 0.00 0.00 55.36 54.82 1ajw s GLN 100 Cb 0.08 -2.03 -0.05 0.00 1.00 0.00 0.00 33.01 32.02 1ajw s GLN 100 CO 0.79 -0.01 -0.07 -1.54 -2.12 0.00 0.00 175.29 172.33 1ajw s SER 101 N 0.84 4.22 -0.36 5.90 1.04 -1.26 -4.48 113.70 119.60 1ajw s SER 101 Ca -0.09 -0.77 -0.26 0.00 0.48 0.00 0.00 55.95 55.31 1ajw s SER 101 Cb -0.15 -0.66 0.02 0.00 0.10 0.00 0.00 66.02 65.32 1ajw s SER 101 CO 0.00 0.02 0.96 -0.36 0.98 0.00 0.00 173.24 174.83 1ajw s PHE 102 N -2.36 3.08 -0.28 5.02 0.40 -0.84 -4.71 117.98 118.29 1ajw s PHE 102 Ca 0.31 0.85 -0.26 0.00 -0.60 0.00 0.00 56.93 57.22 1ajw s PHE 102 Cb -0.06 -3.67 0.01 0.00 0.51 0.00 0.00 43.02 39.80 1ajw s PHE 102 CO 0.18 -0.82 0.93 0.08 0.70 0.00 0.00 175.22 176.29 1ajw s VAL 103 N 3.53 4.70 0.16 -0.44 1.01 -1.25 0.29 120.40 128.39 1ajw s VAL 103 Ca 0.40 1.62 0.06 0.00 0.00 0.00 0.00 61.98 64.05 1ajw s VAL 103 Cb -0.12 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1ajw s VAL 103 CO 0.18 -0.25 -0.12 -0.76 0.00 0.00 0.00 175.10 174.15 1ajw s LEU 104 N 3.17 2.52 0.68 3.92 1.43 0.29 -4.96 118.68 125.73 1ajw s LEU 104 Ca 0.39 -0.98 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 1ajw s LEU 104 Cb -0.14 -0.47 0.05 0.00 0.03 0.00 0.00 46.19 45.66 1ajw s LEU 104 CO 0.11 -0.26 0.98 -0.75 0.23 0.00 0.00 176.35 176.66 1ajw s LYS 105 N -3.55 2.35 -0.91 1.70 2.20 -1.26 0.10 119.74 120.37 1ajw s LYS 105 Ca 0.17 -0.23 -0.33 0.00 -0.36 0.00 0.00 55.97 55.22 1ajw s LYS 105 Cb 0.00 -2.20 -0.21 0.00 -1.51 0.00 0.00 37.83 33.91 1ajw s LYS 105 CO 0.03 -1.12 2.59 0.39 -0.36 0.00 0.00 175.35 176.88 1ajw n GLU 106 N -2.83 0.00 -3.67 4.03 1.02 0.46 -2.86 120.64 116.78 1ajw n GLU 106 Ca 0.07 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.94 1ajw n GLU 106 Cb 0.60 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.53 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 6.66 -0.92 3.68 0.62 0.00 -1.17 -4.75 105.19 109.31 1ajw n GLY 107 Ca 0.64 0.76 -0.40 0.00 0.00 0.00 0.00 46.02 47.02 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 -2.58 4.98 -0.83 1.61 -7.23 -1.14 -4.25 120.40 110.97 1ajw s VAL 108 Ca 0.11 1.44 -0.25 0.00 -1.81 0.00 0.00 61.98 61.47 1ajw s VAL 108 Cb -0.01 -4.05 -0.09 0.00 0.56 0.00 0.00 36.38 32.79 1ajw s VAL 108 CO 0.88 0.13 2.17 -1.83 -0.31 0.00 0.00 175.10 176.14 1ajw s GLU 109 N 1.62 2.10 0.10 4.82 -1.05 -1.26 -3.43 118.70 121.60 1ajw s GLU 109 Ca 0.35 0.16 0.05 0.00 -0.15 0.00 0.00 54.97 55.39 1ajw s GLU 109 Cb -0.17 -4.89 -0.04 0.00 -0.44 0.00 0.00 34.13 28.59 1ajw s GLU 109 CO 0.14 -3.85 -0.02 1.52 0.95 0.00 0.00 175.26 174.01 1ajw s TYR 110 N 12.29 2.94 0.04 4.83 -0.85 -1.18 -4.60 117.35 130.82 1ajw s TYR 110 Ca 0.81 -0.06 -0.04 0.00 -0.52 0.00 0.00 57.07 57.26 1ajw s TYR 110 Cb -0.10 -1.51 -0.05 0.00 0.38 0.00 0.00 41.96 40.69 1ajw s TYR 110 CO 0.05 0.47 0.26 1.03 -1.52 0.00 0.00 175.55 175.85 1ajw s ARG 111 N -2.35 3.54 -0.12 -3.49 0.52 0.30 0.11 118.95 117.45 1ajw s ARG 111 Ca 0.25 -0.19 -0.01 0.00 -0.52 0.00 0.00 55.73 55.25 1ajw s ARG 111 Cb -0.11 -3.03 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 1ajw s ARG 111 CO 0.18 0.61 -0.08 0.42 0.02 0.00 0.00 175.30 176.45 1ajw s ILE 112 N -1.42 3.57 -0.41 1.52 1.01 -1.22 -1.95 121.20 122.30 1ajw s ILE 112 Ca 0.32 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 1ajw s ILE 112 Cb -0.13 -2.52 0.11 0.00 0.01 0.00 0.00 42.46 39.94 1ajw s ILE 112 CO 0.21 0.53 0.18 -0.75 0.00 0.00 0.00 174.94 175.11 1ajw s LYS 113 N 0.06 1.90 0.05 2.79 2.20 -1.11 -0.97 119.74 124.67 1ajw s LYS 113 Ca -0.02 -1.94 -0.30 0.00 -0.36 0.00 0.00 55.97 53.34 1ajw s LYS 113 Cb -0.14 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 1ajw s LYS 113 CO 0.03 -1.05 1.04 0.42 -0.36 0.00 0.00 175.35 175.44 1ajw s ILE 114 N 0.89 4.49 -0.02 5.43 -1.09 -1.09 -2.28 121.20 127.52 1ajw s ILE 114 Ca 0.10 1.87 0.05 0.00 -2.23 0.00 0.00 60.65 60.44 1ajw s ILE 114 Cb -0.22 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.44 1ajw s ILE 114 CO -0.05 0.19 -0.15 -0.44 -1.23 0.00 0.00 174.94 173.26 1ajw s SER 115 N 0.72 3.94 -0.11 3.58 0.01 -0.73 0.48 113.70 121.59 1ajw s SER 115 Ca 0.52 -0.26 -0.19 0.00 1.31 0.00 0.00 55.95 57.33 1ajw s SER 115 Cb -0.24 -0.77 0.05 0.00 0.21 0.00 0.00 66.02 65.26 1ajw s SER 115 CO 0.29 0.32 0.48 0.72 0.41 0.00 0.00 173.24 175.47 1ajw s PHE 116 N -0.78 -0.47 -0.03 2.43 -0.71 -1.17 -0.57 117.98 116.68 1ajw s PHE 116 Ca 0.12 1.01 -0.23 0.00 -1.04 0.00 0.00 56.93 56.79 1ajw s PHE 116 Cb -0.11 0.21 -0.05 0.00 -1.21 0.00 0.00 43.02 41.86 1ajw s PHE 116 CO 0.02 -0.36 0.67 1.03 -1.34 0.00 0.00 175.22 175.23 1ajw s ARG 117 N -0.45 4.41 -0.41 1.99 1.81 -1.15 0.12 118.95 125.26 1ajw s ARG 117 Ca -0.06 0.85 0.03 0.00 -1.72 0.00 0.00 55.73 54.83 1ajw s ARG 117 Cb -0.03 -3.40 0.12 0.00 -0.45 0.00 0.00 34.95 31.19 1ajw s ARG 117 CO 0.03 0.21 0.15 0.08 -0.68 0.00 0.00 175.30 175.10 1ajw s VAL 118 N 0.30 2.08 -0.28 3.52 1.01 -1.21 -3.35 120.40 122.47 1ajw s VAL 118 Ca 0.35 -2.59 0.13 0.00 0.00 0.00 0.00 61.98 59.87 1ajw s VAL 118 Cb -0.18 -2.49 0.48 0.00 0.00 0.00 0.00 36.38 34.18 1ajw s VAL 118 CO 0.18 -0.72 1.16 -0.46 0.00 0.00 0.00 175.10 175.26 1ajw n ASN 119 N 3.83 3.56 0.06 3.32 0.23 -1.21 -3.78 115.26 121.27 1ajw n ASN 119 Ca 0.04 -3.05 0.00 0.00 -0.53 0.00 0.00 54.58 51.04 1ajw n ASN 119 Cb 0.37 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 1ajw n ASN 119 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1ajw n ARG 120 N -0.66 0.00 -4.47 -3.83 0.00 -1.26 -5.02 116.66 101.42 1ajw n ARG 120 Ca 0.29 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.91 1ajw n ARG 120 Cb 0.90 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 33.25 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 -1.25 1.66 0.86 -0.14 2.02 -1.26 -4.80 118.70 115.78 1ajw s GLU 121 Ca 0.00 -1.87 -0.12 0.00 0.02 0.00 0.00 54.97 53.01 1ajw s GLU 121 Cb 0.00 -1.27 0.11 0.00 0.10 0.00 0.00 34.13 33.07 1ajw s GLU 121 CO 0.00 0.02 1.10 0.42 0.02 0.00 0.00 175.26 176.82 1ajw s ILE 122 N -2.95 2.71 -0.44 -1.63 1.01 -1.26 -4.03 121.20 114.62 1ajw s ILE 122 Ca 0.32 0.23 0.09 0.00 0.00 0.00 0.00 60.65 61.29 1ajw s ILE 122 Cb 0.05 -2.88 0.39 0.00 0.01 0.00 0.00 42.46 40.03 1ajw s ILE 122 CO 0.14 -0.30 0.95 0.52 0.00 0.00 0.00 174.94 176.25 1ajw n VAL 123 N -3.68 1.76 -2.07 2.92 0.31 0.30 -4.93 118.33 112.94 1ajw n VAL 123 Ca 0.07 -4.64 -0.41 0.00 -0.01 0.00 0.00 64.34 59.35 1ajw n VAL 123 Cb 0.56 -0.68 -0.03 0.00 -0.91 0.00 0.00 33.84 32.79 1ajw n VAL 123 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ajw s SER 124 N -3.21 5.65 0.00 4.52 0.01 -1.26 -3.14 113.70 116.26 1ajw s SER 124 Ca 0.42 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.43 1ajw s SER 124 Cb 0.37 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1ajw s SER 124 CO -0.10 -2.00 0.00 0.61 0.41 0.00 0.00 173.24 172.15 1ajw n GLY 125 N 5.51 0.83 3.74 3.44 0.00 -1.22 -4.67 105.19 112.82 1ajw n GLY 125 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 0.34 4.40 0.31 1.61 1.75 -0.59 0.06 119.30 127.19 1ajw s MET 126 Ca 0.00 0.81 0.09 0.00 -1.25 0.00 0.00 55.69 55.34 1ajw s MET 126 Cb 0.00 -3.40 -0.06 0.00 2.84 0.00 0.00 34.83 34.21 1ajw s MET 126 CO 0.00 0.20 -0.09 0.21 -0.65 0.00 0.00 175.02 174.70 1ajw s LYS 127 N 0.33 1.70 -0.28 4.11 2.20 0.14 -0.44 119.74 127.51 1ajw s LYS 127 Ca 0.34 -1.87 -0.03 0.00 -0.36 0.00 0.00 55.97 54.06 1ajw s LYS 127 Cb -0.18 -1.49 0.09 0.00 -1.51 0.00 0.00 37.83 34.74 1ajw s LYS 127 CO 0.18 0.11 0.10 -0.47 -0.36 0.00 0.00 175.35 174.91 1ajw s TYR 128 N -2.76 0.90 0.66 4.03 5.04 0.28 -3.15 117.35 122.35 1ajw s TYR 128 Ca 0.31 -1.14 -0.09 0.00 -2.44 0.00 0.00 57.07 53.71 1ajw s TYR 128 Cb 0.02 -1.19 0.01 0.00 0.35 0.00 0.00 41.96 41.16 1ajw s TYR 128 CO 0.15 -0.79 1.02 0.42 -1.34 0.00 0.00 175.55 175.01 1ajw s ILE 129 N 1.90 3.57 -0.30 3.14 -1.09 -1.17 0.10 121.20 127.35 1ajw s ILE 129 Ca 0.07 0.31 -0.13 0.00 -2.23 0.00 0.00 60.65 58.68 1ajw s ILE 129 Cb -0.17 -3.47 0.16 0.00 -1.58 0.00 0.00 42.46 37.40 1ajw s ILE 129 CO -0.27 -0.58 0.91 -1.58 -1.23 0.00 0.00 174.94 172.19 1ajw s GLN 130 N -5.22 0.35 0.23 2.79 0.74 0.50 -3.06 119.66 115.99 1ajw s GLN 130 Ca 0.57 0.82 0.05 0.00 0.05 0.00 0.00 55.36 56.84 1ajw s GLN 130 Cb -0.11 0.49 -0.03 0.00 1.10 0.00 0.00 33.01 34.46 1ajw s GLN 130 CO 0.49 -0.18 0.30 -1.01 -0.55 0.00 0.00 175.29 174.35 1ajw s HIS 131 N 2.63 3.36 -0.69 1.67 3.76 0.31 0.10 115.29 126.43 1ajw s HIS 131 Ca -0.01 -0.03 0.05 0.00 -0.15 0.00 0.00 55.06 54.92 1ajw s HIS 131 Cb -0.08 -1.53 0.26 0.00 1.11 0.00 0.00 32.58 32.33 1ajw s HIS 131 CO -0.17 0.47 0.84 2.41 -0.85 0.00 0.00 174.74 177.44 1ajw n THR 132 N -1.23 2.76 -1.99 1.30 -1.04 0.30 -2.38 114.28 112.00 1ajw n THR 132 Ca -0.08 -5.32 -0.42 0.00 -2.04 0.00 0.00 64.05 56.18 1ajw n THR 132 Cb 0.57 -2.09 -0.03 0.00 -1.82 0.00 0.00 70.33 66.96 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 -2.55 2.36 -0.05 -1.42 1.51 0.14 -2.97 117.35 114.37 1ajw s TYR 133 Ca 0.39 0.35 0.04 0.00 -1.01 0.00 0.00 57.07 56.84 1ajw s TYR 133 Cb 0.14 -3.91 -0.00 0.00 -0.11 0.00 0.00 41.96 38.08 1ajw s TYR 133 CO 0.00 -3.66 -0.17 0.50 -1.11 0.00 0.00 175.55 171.11 1ajw s ARG 134 N 2.98 1.84 -1.19 -0.62 3.00 0.29 -1.73 118.95 123.52 1ajw s ARG 134 Ca 0.72 -0.59 0.00 0.00 -1.00 0.00 0.00 55.73 54.86 1ajw s ARG 134 Cb -0.37 -1.57 0.00 0.00 0.00 0.00 0.00 34.95 33.01 1ajw s ARG 134 CO 0.31 0.20 0.00 1.63 0.00 0.00 0.00 175.30 177.44 1ajw n LYS 135 N 3.27 -2.00 0.00 5.12 4.76 -1.26 -0.03 118.16 128.02 1ajw n LYS 135 Ca -0.19 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 1ajw n LYS 135 Cb 0.53 -5.21 0.00 0.00 -1.84 0.00 0.00 35.03 28.50 1ajw n LYS 135 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ajw n GLY 136 N -0.72 2.68 3.80 0.72 0.00 -1.26 -5.03 105.19 105.38 1ajw n GLY 136 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 1ajw n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ajw s VAL 137 N -2.13 4.43 0.02 1.61 -7.23 0.95 -5.07 120.40 112.98 1ajw s VAL 137 Ca 0.00 -1.19 -0.23 0.00 -1.81 0.00 0.00 61.98 58.75 1ajw s VAL 137 Cb 0.00 -3.30 -0.05 0.00 0.56 0.00 0.00 36.38 33.59 1ajw s VAL 137 CO 0.00 -0.17 0.70 -0.54 -0.31 0.00 0.00 175.10 174.78 1ajw s LYS 138 N -3.29 4.43 -0.01 4.82 3.01 -1.26 0.10 119.74 127.54 1ajw s LYS 138 Ca 0.31 0.93 0.02 0.00 -1.01 0.00 0.00 55.97 56.22 1ajw s LYS 138 Cb -0.09 -3.36 -0.03 0.00 -1.01 0.00 0.00 37.83 33.34 1ajw s LYS 138 CO 0.24 0.30 0.02 0.44 0.51 0.00 0.00 175.35 176.86 1ajw n ILE 139 N 2.85 0.08 -3.64 2.17 -5.35 -1.16 -4.89 119.36 109.43 1ajw n ILE 139 Ca -0.04 -0.07 -0.05 0.00 -0.27 0.00 0.00 62.75 62.33 1ajw n ILE 139 Cb 0.51 -0.34 -0.06 0.00 -1.74 0.00 0.00 39.64 38.00 1ajw n ILE 139 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1ajw s ASP 140 N -2.82 -0.15 0.05 7.28 2.15 -1.26 -5.02 116.67 116.91 1ajw s ASP 140 Ca -0.01 0.24 0.02 0.00 0.43 0.00 0.00 52.55 53.22 1ajw s ASP 140 Cb 0.01 0.22 -0.03 0.00 -0.30 0.00 0.00 42.92 42.82 1ajw s ASP 140 CO 0.09 -0.09 -0.07 -0.54 -0.17 0.00 0.00 175.17 174.39 1ajw s LYS 141 N -0.42 0.57 0.06 4.34 3.01 -1.26 0.11 119.74 126.15 1ajw s LYS 141 Ca 0.06 -0.88 0.02 0.00 -1.01 0.00 0.00 55.97 54.16 1ajw s LYS 141 Cb -0.03 -0.20 -0.03 0.00 -1.01 0.00 0.00 37.83 36.56 1ajw s LYS 141 CO -0.10 0.02 -0.07 0.99 0.51 0.00 0.00 175.35 176.70 1ajw s THR 142 N -1.95 0.56 -0.22 2.17 2.01 0.29 -4.95 115.64 113.54 1ajw s THR 142 Ca -0.06 -1.36 0.01 0.00 0.31 0.00 0.00 61.69 60.59 1ajw s THR 142 Cb -0.06 -0.96 0.03 0.00 0.01 0.00 0.00 72.50 71.52 1ajw s THR 142 CO -0.01 -0.56 -0.14 -1.81 -0.69 0.00 0.00 174.62 171.40 1ajw s ASP 143 N -2.08 3.77 -0.33 3.53 1.11 -1.26 -0.37 116.67 121.04 1ajw s ASP 143 Ca -0.03 -0.88 -0.11 0.00 0.18 0.00 0.00 52.55 51.71 1ajw s ASP 143 Cb -0.05 -1.55 -0.00 0.00 1.07 0.00 0.00 42.92 42.39 1ajw s ASP 143 CO -0.02 -0.08 0.18 -0.31 1.18 0.00 0.00 175.17 176.13 1ajw s TYR 144 N 1.25 3.20 -0.16 4.23 2.02 0.29 -4.90 117.35 123.28 1ajw s TYR 144 Ca 0.00 -0.56 -0.29 0.00 -0.37 0.00 0.00 57.07 55.85 1ajw s TYR 144 Cb -0.16 -2.39 -0.02 0.00 -0.40 0.00 0.00 41.96 38.99 1ajw s TYR 144 CO -0.09 -0.47 1.29 1.41 -1.57 0.00 0.00 175.55 176.13 1ajw s MET 145 N 1.63 4.23 -0.01 -0.62 -2.45 -1.26 0.10 119.30 120.92 1ajw s MET 145 Ca 0.05 1.70 -0.00 0.00 -1.25 0.00 0.00 55.69 56.19 1ajw s MET 145 Cb -0.17 -3.78 -0.00 0.00 1.25 0.00 0.00 34.83 32.13 1ajw s MET 145 CO 0.07 -0.72 0.02 0.28 1.05 0.00 0.00 175.02 175.73 1ajw h VAL 146 N 5.49 0.00 0.00 10.11 2.07 -1.05 -3.47 116.25 129.40 1ajw h VAL 146 Ca -0.27 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1ajw h VAL 146 Cb 1.11 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1ajw h VAL 146 CO 0.97 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.17 1ajw n GLY 147 N 1.92 0.05 3.78 2.17 0.00 -1.08 -4.98 105.19 107.06 1ajw n GLY 147 Ca -0.00 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.00 5.63 -0.13 1.61 1.04 -1.26 -1.54 113.70 115.05 1ajw s SER 148 Ca 0.00 0.07 -0.06 0.00 0.48 0.00 0.00 55.95 56.44 1ajw s SER 148 Cb 0.00 -1.57 0.06 0.00 0.10 0.00 0.00 66.02 64.61 1ajw s SER 148 CO 0.00 0.21 0.29 -0.31 0.98 0.00 0.00 173.24 174.41 1ajw s TYR 149 N -1.31 -0.43 0.32 5.02 2.02 -1.19 -4.90 117.35 116.88 1ajw s TYR 149 Ca 0.27 0.97 -0.03 0.00 -0.37 0.00 0.00 57.07 57.91 1ajw s TYR 149 Cb -0.12 0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.46 1ajw s TYR 149 CO 0.19 -0.31 0.56 0.20 -1.57 0.00 0.00 175.55 174.62 1ajw s GLY 150 N 1.78 1.68 -0.80 0.71 0.00 -1.26 0.11 107.32 109.53 1ajw s GLY 150 Ca -0.05 -0.67 -0.25 0.00 0.00 0.00 0.00 44.72 43.75 1ajw s GLY 150 CO -0.09 -0.57 1.83 2.56 0.00 0.00 0.00 173.10 176.82 1ajw s PRO 151 N -3.86 2.71 -0.03 2.90 0.04 -1.26 -4.82 135.00 130.69 1ajw s PRO 151 Ca 0.43 -0.05 -0.01 0.00 0.04 0.00 0.00 61.00 61.41 1ajw s PRO 151 Cb -0.10 -4.80 -0.00 0.00 0.04 0.00 0.00 34.50 29.63 1ajw s PRO 151 CO 0.33 -2.97 -0.03 -0.09 0.04 0.00 0.00 177.00 174.28 1ajw h ARG 152 N 12.36 0.00 0.00 4.56 9.65 -1.95 -3.46 114.38 135.54 1ajw h ARG 152 Ca -0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1ajw h ARG 152 Cb 1.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1ajw h ARG 152 CO 1.24 0.00 0.00 0.00 2.80 0.00 0.00 179.97 184.01 1ajw n ALA 153 N -2.44 0.00 -2.58 2.80 0.00 -1.26 -5.07 120.51 111.96 1ajw n ALA 153 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ajw n ALA 153 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.60 3.90 -3.20 0.00 0.28 -1.26 -4.90 120.64 114.87 1ajw n GLU 154 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.82 1ajw n GLU 154 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ajw n GLU 154 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1ajw s GLU 155 N 2.60 2.95 0.04 3.44 -1.05 -1.26 -3.29 118.70 122.13 1ajw s GLU 155 Ca 0.00 -1.14 0.00 0.00 -0.15 0.00 0.00 54.97 53.68 1ajw s GLU 155 Cb 0.00 -2.78 0.00 0.00 -0.44 0.00 0.00 34.13 30.91 1ajw s GLU 155 CO 0.00 -0.14 0.02 0.66 0.95 0.00 0.00 175.26 176.76 1ajw n TYR 156 N -1.77 -1.21 -3.32 4.83 4.02 0.12 -4.92 117.16 114.92 1ajw n TYR 156 Ca 0.05 -0.17 0.03 0.00 -0.01 0.00 0.00 57.90 57.80 1ajw n TYR 156 Cb 0.59 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.85 1ajw n TYR 156 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1ajw s GLU 157 N -2.15 0.47 0.52 -0.72 -1.05 -1.26 -3.05 118.70 111.47 1ajw s GLU 157 Ca 0.02 0.98 -0.03 0.00 -0.15 0.00 0.00 54.97 55.79 1ajw s GLU 157 Cb -0.00 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 1ajw s GLU 157 CO 0.01 -0.37 0.79 0.12 0.95 0.00 0.00 175.26 176.77 1ajw s PHE 158 N 2.83 3.23 -0.10 4.83 5.36 0.18 -4.90 117.98 129.40 1ajw s PHE 158 Ca 0.07 0.44 -0.02 0.00 -0.96 0.00 0.00 56.93 56.46 1ajw s PHE 158 Cb -0.12 -2.54 0.04 0.00 -0.34 0.00 0.00 43.02 40.05 1ajw s PHE 158 CO -0.18 -0.61 0.02 -0.51 -1.46 0.00 0.00 175.22 172.47 1ajw s LEU 159 N -4.78 0.68 0.03 6.12 1.43 -1.26 -2.66 118.68 118.23 1ajw s LEU 159 Ca 0.51 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1ajw s LEU 159 Cb -0.10 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.63 1ajw s LEU 159 CO 0.42 -0.23 0.14 0.42 0.23 0.00 0.00 176.35 177.33 1ajw s THR 160 N 1.97 5.06 0.48 5.49 -4.23 -0.14 -4.99 115.64 119.28 1ajw s THR 160 Ca 0.04 -0.41 -0.08 0.00 -1.18 0.00 0.00 61.69 60.06 1ajw s THR 160 Cb -0.13 -3.40 0.12 0.00 1.34 0.00 0.00 72.50 70.43 1ajw s THR 160 CO -0.06 0.24 0.34 -0.81 -0.54 0.00 0.00 174.62 173.79 1ajw n PRO 161 N 0.73 -2.49 -1.63 3.99 -0.04 -1.26 -3.37 135.00 130.93 1ajw n PRO 161 Ca -0.09 -0.55 -0.43 0.00 -0.04 0.00 0.00 63.50 62.38 1ajw n PRO 161 Cb 0.52 -0.63 -0.01 0.00 -0.04 0.00 0.00 33.50 33.35 1ajw n PRO 161 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ajw n MET 162 N -3.06 1.65 -3.45 0.54 0.00 -1.26 -4.28 117.12 107.26 1ajw n MET 162 Ca 0.05 0.58 -0.28 0.00 0.00 0.00 0.00 57.70 58.05 1ajw n MET 162 Cb 0.21 -2.06 -0.11 0.00 0.00 0.00 0.00 33.22 31.26 1ajw n MET 162 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 1ajw s GLU 163 N -1.76 0.92 0.30 3.17 2.56 0.29 -4.86 118.70 119.33 1ajw s GLU 163 Ca 0.58 -1.99 -0.29 0.00 0.00 0.00 0.00 54.97 53.27 1ajw s GLU 163 Cb -0.62 -1.54 -0.11 0.00 2.00 0.00 0.00 34.13 33.86 1ajw s GLU 163 CO 0.60 -1.33 1.45 -2.00 -0.56 0.00 0.00 175.26 173.42 1ajw s GLU 164 N 0.23 4.22 0.83 4.30 2.12 -1.25 -3.13 118.70 126.01 1ajw s GLU 164 Ca 0.28 2.40 -0.12 0.00 0.36 0.00 0.00 54.97 57.89 1ajw s GLU 164 Cb -0.04 -3.05 0.19 0.00 0.26 0.00 0.00 34.13 31.48 1ajw s GLU 164 CO -0.14 -0.44 1.13 0.00 -0.54 0.00 0.00 175.26 175.27 1ajw n ALA 165 N 1.57 -1.07 -2.29 6.30 0.00 -1.22 -4.84 120.51 118.95 1ajw n ALA 165 Ca 0.04 -1.58 -0.42 0.00 0.00 0.00 0.00 53.44 51.48 1ajw n ALA 165 Cb 0.40 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 1ajw n ALA 165 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ajw s PRO 166 N -5.44 4.30 0.53 0.00 0.04 -1.26 -3.77 135.00 129.40 1ajw s PRO 166 Ca 0.66 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.60 1ajw s PRO 166 Cb -0.02 -3.58 0.02 0.00 0.04 0.00 0.00 34.50 30.95 1ajw s PRO 166 CO 0.46 -0.55 0.19 -1.59 0.04 0.00 0.00 177.00 175.55 1ajw s LYS 167 N 2.41 2.23 0.00 4.56 -2.85 -1.26 -3.06 119.74 121.77 1ajw s LYS 167 Ca 0.61 -2.24 0.00 0.00 -1.00 0.00 0.00 55.97 53.34 1ajw s LYS 167 Cb -0.29 -1.79 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 1ajw s LYS 167 CO 0.25 -0.50 0.00 0.41 0.10 0.00 0.00 175.35 175.61 1ajw n GLY 168 N -1.52 2.99 0.28 0.59 0.00 -1.26 -4.37 105.19 101.91 1ajw n GLY 168 Ca -0.12 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.25 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 0.00 -0.76 1.61 4.05 -2.00 -0.34 114.93 117.50 1ajw h MET 169 Ca 0.00 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.22 1ajw h MET 169 Cb 0.00 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 30.68 1ajw h MET 169 CO 0.00 0.00 0.25 -0.11 0.23 0.00 0.00 176.91 177.28 1ajw n LEU 170 N -4.36 6.00 -0.46 3.39 -0.00 -1.26 -4.22 117.00 116.09 1ajw n LEU 170 Ca -0.02 -3.11 0.07 0.00 -0.00 0.00 0.00 56.01 52.94 1ajw n LEU 170 Cb 0.12 -0.74 0.14 0.00 -0.00 0.00 0.00 43.42 42.94 1ajw n LEU 170 CO 0.33 0.78 0.40 0.00 -0.00 0.00 0.00 177.39 178.90 1ajw n ALA 171 N -0.06 2.75 -2.74 1.96 0.00 -0.14 -5.03 120.51 117.25 1ajw n ALA 171 Ca 0.39 -2.65 -0.36 0.00 0.00 0.00 0.00 53.44 50.82 1ajw n ALA 171 Cb 1.35 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 20.31 1ajw n ALA 171 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ajw s ARG 172 N -2.37 4.12 0.00 0.00 0.52 -1.26 -4.66 118.95 115.29 1ajw s ARG 172 Ca 0.31 -0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.42 1ajw s ARG 172 Cb 0.29 -3.39 0.00 0.00 0.52 0.00 0.00 34.95 32.37 1ajw s ARG 172 CO -0.03 0.35 0.00 0.41 0.02 0.00 0.00 175.30 176.05 1ajw n GLY 173 N 3.25 -0.11 3.66 -3.53 0.00 -1.19 -4.89 105.19 102.38 1ajw n GLY 173 Ca -0.15 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.30 6.76 -0.41 1.61 1.04 -1.26 -0.17 113.70 118.96 1ajw s SER 174 Ca 0.00 0.93 -0.12 0.00 0.48 0.00 0.00 55.95 57.24 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 -0.34 0.28 -0.31 0.98 0.00 0.00 173.24 173.85 1ajw s TYR 175 N 2.12 3.27 0.21 5.02 1.51 -0.66 -4.71 117.35 124.11 1ajw s TYR 175 Ca 0.31 -1.09 -0.30 0.00 -1.01 0.00 0.00 57.07 54.98 1ajw s TYR 175 Cb -0.16 -2.78 -0.10 0.00 -0.11 0.00 0.00 41.96 38.81 1ajw s TYR 175 CO 0.10 -0.74 1.45 1.21 -1.11 0.00 0.00 175.55 176.46 1ajw s ASN 176 N 1.98 6.68 0.00 2.29 2.47 -0.71 -0.31 114.94 127.35 1ajw s ASN 176 Ca 0.03 2.59 0.06 0.00 0.42 0.00 0.00 52.86 55.96 1ajw s ASN 176 Cb -0.22 -2.61 -0.02 0.00 -1.45 0.00 0.00 41.25 36.96 1ajw s ASN 176 CO 0.06 -0.70 -0.20 -0.63 -3.72 0.00 0.00 177.10 171.90 1ajw s ILE 177 N 0.37 1.58 -0.26 -5.21 1.01 0.20 0.26 121.20 119.16 1ajw s ILE 177 Ca 0.62 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 1ajw s ILE 177 Cb -0.41 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 40.75 1ajw s ILE 177 CO 0.39 0.36 -0.04 -0.75 0.00 0.00 0.00 174.94 174.90 1ajw s LYS 178 N -0.69 2.87 0.23 2.79 2.20 -1.00 -2.12 119.74 124.01 1ajw s LYS 178 Ca 0.07 -0.96 0.09 0.00 -0.36 0.00 0.00 55.97 54.81 1ajw s LYS 178 Cb -0.08 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 1ajw s LYS 178 CO 0.00 -0.41 -0.05 -1.12 -0.36 0.00 0.00 175.35 173.41 1ajw s SER 179 N 1.35 4.39 -0.27 1.43 0.01 -1.19 0.11 113.70 119.54 1ajw s SER 179 Ca 0.00 -0.63 -0.04 0.00 1.31 0.00 0.00 55.95 56.60 1ajw s SER 179 Cb -0.17 -0.78 0.10 0.00 0.21 0.00 0.00 66.02 65.39 1ajw s SER 179 CO -0.03 0.05 0.15 -0.60 0.41 0.00 0.00 173.24 173.22 1ajw s ARG 180 N -3.31 0.20 -0.90 12.44 6.06 -1.17 -3.02 118.95 129.25 1ajw s ARG 180 Ca 0.29 -0.39 -0.24 0.00 -2.50 0.00 0.00 55.73 52.88 1ajw s ARG 180 Cb -0.07 -1.16 0.01 0.00 0.06 0.00 0.00 34.95 33.78 1ajw s ARG 180 CO 0.18 -0.97 1.63 0.12 -2.50 0.00 0.00 175.30 173.76 1ajw s PHE 181 N 2.15 2.17 0.46 5.12 5.36 0.15 -3.04 117.98 130.35 1ajw s PHE 181 Ca 0.08 -0.08 0.03 0.00 -0.96 0.00 0.00 56.93 56.01 1ajw s PHE 181 Cb -0.16 -4.41 -0.01 0.00 -0.34 0.00 0.00 43.02 38.10 1ajw s PHE 181 CO -0.32 -1.94 0.10 -0.08 -1.46 0.00 0.00 175.22 171.53 1ajw s THR 182 N 7.19 0.65 0.00 0.12 -1.32 -1.19 0.65 115.64 121.74 1ajw s THR 182 Ca 0.55 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 1ajw s THR 182 Cb -0.05 -2.20 0.00 0.00 -1.51 0.00 0.00 72.50 68.75 1ajw s THR 182 CO -0.00 0.00 0.00 -0.90 -2.21 0.00 0.00 174.62 171.51 1ajw n ASP 183 N -1.42 0.00 -0.07 8.08 5.68 -1.02 0.23 116.55 128.03 1ajw n ASP 183 Ca -0.11 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.03 1ajw n ASP 183 Cb 0.65 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.59 1ajw n ASP 183 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1ajw h ASP 184 N 0.00 0.96 0.00 -1.12 2.03 -0.64 -3.39 116.42 114.26 1ajw h ASP 184 Ca 0.00 -0.53 0.00 0.00 -0.73 0.00 0.00 57.03 55.77 1ajw h ASP 184 Cb 0.00 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.22 1ajw h ASP 184 CO 0.00 1.32 0.00 -0.67 -1.03 0.00 0.00 179.24 178.86 1ajw n ASP 185 N -4.00 0.00 -0.21 4.15 2.03 -1.26 -5.00 116.55 112.25 1ajw n ASP 185 Ca -0.05 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.24 1ajw n ASP 185 Cb 0.64 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 41.08 1ajw n ASP 185 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1ajw h ARG 186 N 0.00 -0.07 0.00 -0.67 1.12 -1.97 -3.46 114.38 109.32 1ajw h ARG 186 Ca 0.00 0.01 0.16 0.00 -1.11 0.00 0.00 59.98 59.04 1ajw h ARG 186 Cb 0.00 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 29.95 1ajw h ARG 186 CO 0.00 -0.05 0.44 -2.37 -3.11 0.00 0.00 179.97 174.88 1ajw n THR 187 N -5.45 0.00 -3.96 0.20 5.66 -1.26 -5.08 114.28 104.40 1ajw n THR 187 Ca 0.07 -0.11 -0.34 0.00 -3.05 0.00 0.00 64.05 60.61 1ajw n THR 187 Cb 0.35 0.31 -0.14 0.00 -1.55 0.00 0.00 70.33 69.30 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 -2.41 4.22 0.12 1.09 1.11 -1.26 -2.43 116.67 117.11 1ajw s ASP 188 Ca 0.15 -0.76 -0.20 0.00 0.18 0.00 0.00 52.55 51.92 1ajw s ASP 188 Cb -0.01 -1.67 -0.06 0.00 1.07 0.00 0.00 42.92 42.26 1ajw s ASP 188 CO 0.00 -0.10 1.73 0.45 1.18 0.00 0.00 175.17 178.43 1ajw h HIS 189 N 8.03 -0.00 -2.10 4.23 3.86 -0.12 -3.47 115.15 125.58 1ajw h HIS 189 Ca -0.35 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 58.99 1ajw h HIS 189 Cb 1.12 0.02 -0.17 0.00 1.06 0.00 0.00 27.41 29.45 1ajw h HIS 189 CO 0.57 -0.02 0.54 -1.17 0.86 0.00 0.00 177.93 178.71 1ajw s LEU 190 N -10.31 -0.34 -0.13 2.43 2.96 -0.87 -4.85 118.68 107.58 1ajw s LEU 190 Ca -0.13 0.05 -0.12 0.00 -0.22 0.00 0.00 54.13 53.70 1ajw s LEU 190 Cb 0.09 1.93 0.03 0.00 0.50 0.00 0.00 46.19 48.74 1ajw s LEU 190 CO 0.68 -0.54 0.35 -0.94 -1.32 0.00 0.00 176.35 174.57 1ajw s SER 191 N -2.29 -0.36 0.00 3.68 1.04 -1.26 0.34 113.70 114.85 1ajw s SER 191 Ca 0.05 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1ajw s SER 191 Cb -0.01 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1ajw s SER 191 CO -0.07 -0.13 0.00 -2.67 0.98 0.00 0.00 173.24 171.35 1ajw n TRP 192 N 2.85 0.00 -3.64 5.02 2.14 -1.17 -5.03 117.44 117.61 1ajw n TRP 192 Ca -0.13 0.00 -0.06 0.00 2.07 0.00 0.00 57.50 59.37 1ajw n TRP 192 Cb 0.58 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.01 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 1.49 0.65 0.02 -2.67 4.04 -1.26 -3.14 118.70 117.83 1ajw s GLU 193 Ca 0.00 1.12 0.01 0.00 0.04 0.00 0.00 54.97 56.14 1ajw s GLU 193 Cb 0.00 0.13 -0.01 0.00 0.02 0.00 0.00 34.13 34.27 1ajw s GLU 193 CO 0.00 -0.14 -0.05 1.67 -1.84 0.00 0.00 175.26 174.90 1ajw s TRP 194 N 1.56 0.43 0.35 4.83 1.48 -0.90 -4.63 118.94 122.05 1ajw s TRP 194 Ca -0.10 -0.33 -0.06 0.00 -1.06 0.00 0.00 56.10 54.56 1ajw s TRP 194 Cb -0.05 -0.27 -0.05 0.00 -1.16 0.00 0.00 33.47 31.94 1ajw s TRP 194 CO -0.19 -0.08 0.64 -0.80 -4.06 0.00 0.00 176.95 172.47 1ajw s ASN 195 N -0.95 6.43 -0.42 -2.66 -0.87 -1.26 -0.62 114.94 114.59 1ajw s ASN 195 Ca -0.07 0.83 0.04 0.00 -1.57 0.00 0.00 52.86 52.09 1ajw s ASN 195 Cb -0.06 -2.20 0.11 0.00 -0.02 0.00 0.00 41.25 39.08 1ajw s ASN 195 CO -0.00 -0.31 0.15 -0.22 -2.57 0.00 0.00 177.10 174.15 1ajw s LEU 196 N -3.86 4.33 -0.03 0.60 2.96 0.57 -1.99 118.68 121.27 1ajw s LEU 196 Ca 0.46 -2.50 -0.30 0.00 -0.22 0.00 0.00 54.13 51.57 1ajw s LEU 196 Cb -0.10 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 1ajw s LEU 196 CO 0.33 -0.32 1.52 -0.89 -1.32 0.00 0.00 176.35 175.67 1ajw s THR 197 N 0.43 3.63 0.13 3.68 2.01 0.14 -1.65 115.64 124.01 1ajw s THR 197 Ca 0.14 0.91 0.02 0.00 0.31 0.00 0.00 61.69 63.07 1ajw s THR 197 Cb -0.22 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1ajw s THR 197 CO -0.05 -0.04 0.23 -0.63 -0.69 0.00 0.00 174.62 173.43 1ajw s ILE 198 N 3.18 5.13 0.00 1.82 -1.09 0.76 0.11 121.20 131.11 1ajw s ILE 198 Ca 0.68 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 1ajw s ILE 198 Cb -0.32 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1ajw s ILE 198 CO 0.27 -0.03 0.00 1.17 -1.23 0.00 0.00 174.94 175.12 1ajw n LYS 199 N -0.26 0.00 0.00 2.79 4.81 0.28 -3.16 118.16 122.62 1ajw n LYS 199 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1ajw n LYS 199 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 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 1.39 -2.96 1.64 0.00 -1.26 -0.40 118.16 116.56 1ajw n LYS 200 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.17 1ajw n LYS 200 Cb 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 35.03 34.13 1ajw n LYS 200 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1ajw n GLU 201 N -1.32 0.62 0.00 1.64 0.28 -1.26 -4.70 120.64 115.89 1ajw n GLU 201 Ca 0.00 -2.40 0.10 0.00 -0.16 0.00 0.00 57.16 54.70 1ajw n GLU 201 Cb 0.00 -1.43 0.55 0.00 1.43 0.00 0.00 31.44 31.99 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 2.05 0.00 -2.06 -1.84 4.27 -1.26 -3.18 117.44 115.42 1ajw n TRP 202 Ca 0.17 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.65 1ajw n TRP 202 Cb 0.57 -0.21 0.06 0.00 -1.36 0.00 0.00 31.31 30.37 1ajw n TRP 202 CO 0.00 0.00 0.00 0.36 -2.29 0.00 0.00 177.69 175.76 1ajw n LYS 203 N -1.21 2.80 0.00 -2.67 2.85 -1.26 -4.61 118.16 114.06 1ajw n LYS 203 Ca 0.11 -3.81 0.10 0.00 -1.05 0.00 0.00 58.31 53.66 1ajw n LYS 203 Cb 0.14 -1.96 0.58 0.00 -0.65 0.00 0.00 35.03 33.14 1ajw n LYS 203 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95