#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwm s SER 2 N 0.00 5.17 0.07 1.62 1.04 -1.26 -4.99 113.70 115.35 1jwm s SER 2 Ca 0.00 0.16 -0.30 0.00 0.48 0.00 0.00 55.95 56.29 1jwm s SER 2 Cb 0.00 -1.00 -0.05 0.00 0.10 0.00 0.00 66.02 65.07 1jwm s SER 2 CO 0.00 -1.26 1.11 -1.58 0.98 0.00 0.00 173.24 172.50 1jwm s GLN 3 N -4.91 4.51 0.16 4.02 0.74 -0.80 -4.94 119.66 118.44 1jwm s GLN 3 Ca 0.58 1.66 -0.31 0.00 0.05 0.00 0.00 55.36 57.33 1jwm s GLN 3 Cb -0.10 -3.36 -0.10 0.00 1.10 0.00 0.00 33.01 30.54 1jwm s GLN 3 CO 0.40 -0.12 1.56 -2.14 -0.55 0.00 0.00 175.29 174.44 1jwm s PRO 4 N 0.74 4.22 0.71 1.67 0.02 -1.26 -4.60 135.00 136.50 1jwm s PRO 4 Ca 0.55 2.34 -0.16 0.00 0.02 0.00 0.00 61.00 63.75 1jwm s PRO 4 Cb -0.27 -3.19 -0.01 0.00 0.02 0.00 0.00 34.50 31.05 1jwm s PRO 4 CO 0.30 -0.60 0.88 -0.25 -0.33 0.00 0.00 177.00 177.00 1jwm n ASP 5 N 4.08 0.18 -4.82 2.53 10.43 -1.26 -4.95 116.55 122.75 1jwm n ASP 5 Ca 0.14 0.66 -0.32 0.00 2.57 0.00 0.00 54.79 57.85 1jwm n ASP 5 Cb 0.39 -1.37 0.03 0.00 1.84 0.00 0.00 41.12 42.01 1jwm n ASP 5 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1jwm s PRO 6 N -3.18 3.13 0.21 -0.24 0.04 -1.26 -5.08 135.00 128.62 1jwm s PRO 6 Ca 0.72 1.02 0.08 0.00 0.04 0.00 0.00 61.00 62.86 1jwm s PRO 6 Cb -0.35 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1jwm s PRO 6 CO 0.51 -0.95 0.03 -1.64 0.04 0.00 0.00 177.00 175.00 1jwm s MET 7 N -4.71 2.48 0.39 4.56 -1.94 -1.26 -4.98 119.30 113.83 1jwm s MET 7 Ca 0.60 -1.16 0.19 0.00 -1.71 0.00 0.00 55.69 53.60 1jwm s MET 7 Cb -0.14 -2.36 1.13 0.00 2.01 0.00 0.00 34.83 35.47 1jwm s MET 7 CO 0.48 0.43 1.73 -1.35 -0.01 0.00 0.00 175.02 176.30 1jwm h PRO 8 N 2.32 0.35 0.00 2.03 0.11 -1.98 0.51 132.00 135.34 1jwm h PRO 8 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1jwm h PRO 8 Cb 1.22 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jwm h PRO 8 CO 0.59 0.23 -0.11 -0.44 -0.21 0.00 0.00 178.00 178.07 1jwm h ASP 9 N 0.36 0.00 1.14 -2.05 5.19 -2.02 -2.48 116.42 116.56 1jwm h ASP 9 Ca 0.65 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.06 1jwm h ASP 9 Cb 1.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.18 1jwm h ASP 9 CO -0.37 0.11 -0.08 0.47 -3.12 0.00 0.00 179.24 176.24 1jwm n ASP 10 N -3.32 0.41 -4.81 6.45 10.43 0.18 -4.88 116.55 121.01 1jwm n ASP 10 Ca -0.00 0.45 -0.32 0.00 2.57 0.00 0.00 54.79 57.48 1jwm n ASP 10 Cb 0.32 -0.51 -0.06 0.00 1.84 0.00 0.00 41.12 42.70 1jwm n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1jwm s LEU 11 N -3.70 3.98 0.33 0.64 1.43 -0.93 -4.92 118.68 115.51 1jwm s LEU 11 Ca 0.12 0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 53.08 1jwm s LEU 11 Cb 0.16 -2.49 -0.09 0.00 0.03 0.00 0.00 46.19 43.80 1jwm s LEU 11 CO 0.58 0.22 1.07 -1.00 0.23 0.00 0.00 176.35 177.45 1jwm s HIS 12 N -1.32 3.46 -0.20 0.29 3.76 -1.26 -5.02 115.29 115.00 1jwm s HIS 12 Ca 0.27 1.69 -0.06 0.00 -0.15 0.00 0.00 55.06 56.81 1jwm s HIS 12 Cb -0.12 -3.20 -0.03 0.00 1.11 0.00 0.00 32.58 30.34 1jwm s HIS 12 CO 0.19 -0.54 0.02 0.15 -0.85 0.00 0.00 174.74 173.71 1jwm s LYS 13 N -1.90 3.69 0.63 1.40 3.01 -1.26 -4.38 119.74 120.94 1jwm s LYS 13 Ca 0.50 -0.48 0.39 0.00 -1.01 0.00 0.00 55.97 55.37 1jwm s LYS 13 Cb -0.27 -3.13 2.18 0.00 -1.01 0.00 0.00 37.83 35.59 1jwm s LYS 13 CO 0.35 0.05 2.32 0.66 0.51 0.00 0.00 175.35 179.23 1jwm h SER 14 N 7.39 0.00 0.95 2.83 4.64 -0.27 0.56 113.55 129.64 1jwm h SER 14 Ca -0.36 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.92 1jwm h SER 14 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1jwm h SER 14 CO 0.62 0.00 -0.19 0.77 -0.87 0.00 0.00 176.83 177.17 1jwm h SER 15 N 0.00 0.00 -0.53 4.97 4.64 -1.89 -2.49 113.55 118.25 1jwm h SER 15 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jwm h SER 15 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1jwm h SER 15 CO 0.00 0.19 0.00 -0.62 -0.87 0.00 0.00 176.83 175.53 1jwm n GLU 16 N -3.35 2.97 -3.92 4.77 1.02 0.18 -4.76 120.64 117.56 1jwm n GLU 16 Ca 0.00 -2.21 -0.35 0.00 -0.02 0.00 0.00 57.16 54.59 1jwm n GLU 16 Cb 0.41 -1.69 -0.14 0.00 -0.02 0.00 0.00 31.44 30.00 1jwm n GLU 16 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1jwm s PHE 17 N -1.66 3.12 -0.44 -0.32 5.36 -0.94 -1.87 117.98 121.23 1jwm s PHE 17 Ca 0.40 -1.56 0.22 0.00 -0.96 0.00 0.00 56.93 55.03 1jwm s PHE 17 Cb 0.25 -2.09 -0.13 0.00 -0.34 0.00 0.00 43.02 40.70 1jwm s PHE 17 CO 0.21 -0.73 0.83 2.41 -1.46 0.00 0.00 175.22 176.48 1jwm n THR 18 N 4.68 0.13 -0.05 0.12 -1.04 0.33 -4.92 114.28 113.54 1jwm n THR 18 Ca -0.15 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 1jwm n THR 18 Cb 0.46 0.21 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 1jwm n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jwm n GLY 19 N 1.33 -2.93 3.59 3.41 0.00 -1.20 -4.91 105.19 104.48 1jwm n GLY 19 Ca 0.00 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 1jwm n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jwm s THR 20 N -0.21 5.19 0.12 2.61 2.01 -1.26 -4.66 115.64 119.45 1jwm s THR 20 Ca 0.00 0.44 0.34 0.00 0.31 0.00 0.00 61.69 62.77 1jwm s THR 20 Cb 0.00 -3.69 0.37 0.00 0.01 0.00 0.00 72.50 69.19 1jwm s THR 20 CO 0.00 0.14 2.01 -0.03 -0.69 0.00 0.00 174.62 176.05 1jwm h MET 21 N 8.25 0.00 0.00 4.92 4.05 -1.28 -2.28 114.93 128.59 1jwm h MET 21 Ca -0.32 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.08 1jwm h MET 21 Cb 1.16 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.96 1jwm h MET 21 CO 0.64 0.00 -0.09 0.78 0.23 0.00 0.00 176.91 178.47 1jwm h GLY 22 N 1.38 0.00 2.00 1.39 0.00 0.35 -0.24 103.07 107.95 1jwm h GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jwm h GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1jwm n ASN 23 N -3.75 0.08 -0.11 0.19 3.02 -0.86 -0.39 115.26 113.45 1jwm n ASN 23 Ca -0.02 0.51 -0.19 0.00 -0.03 0.00 0.00 54.58 54.85 1jwm n ASN 23 Cb 0.19 -0.53 -0.07 0.00 -0.61 0.00 0.00 39.78 38.75 1jwm n ASN 23 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1jwm n MET 24 N -1.58 0.55 -0.31 3.52 1.56 -0.19 -4.32 117.12 116.35 1jwm n MET 24 Ca 0.05 0.38 0.13 0.00 -0.27 0.00 0.00 57.70 57.99 1jwm n MET 24 Cb 0.25 -1.58 0.31 0.00 2.15 0.00 0.00 33.22 34.35 1jwm n MET 24 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1jwm h LYS 25 N -1.00 0.40 -0.94 2.12 3.64 -1.23 0.07 116.57 119.64 1jwm h LYS 25 Ca -0.34 -0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.26 1jwm h LYS 25 Cb 1.21 -0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 32.81 1jwm h LYS 25 CO -0.21 0.26 0.46 -0.92 -2.27 0.00 0.00 179.45 176.78 1jwm h TYR 26 N 0.41 0.77 0.00 1.91 3.20 -0.91 -0.37 116.97 121.97 1jwm h TYR 26 Ca 0.56 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.47 1jwm h TYR 26 Cb 1.06 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.14 1jwm h TYR 26 CO -0.13 -0.04 0.00 1.28 -1.64 0.00 0.00 178.16 177.63 1jwm n LEU 27 N -5.01 0.37 0.00 2.82 4.77 0.01 -3.97 117.00 115.98 1jwm n LEU 27 Ca 0.24 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.79 1jwm n LEU 27 Cb 0.71 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1jwm n LEU 27 CO 0.13 -0.29 -0.06 -1.22 -1.33 0.00 0.00 177.39 174.62 1jwm n TYR 28 N -1.88 0.00 -2.68 -1.77 4.02 -0.56 -4.72 117.16 109.57 1jwm n TYR 28 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.51 1jwm n TYR 28 Cb 0.27 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.56 1jwm n TYR 28 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1jwm s ASP 29 N -0.77 6.33 -1.26 7.72 3.68 -0.26 -3.71 116.67 128.40 1jwm s ASP 29 Ca 0.00 -0.24 -0.13 0.00 2.13 0.00 0.00 52.55 54.31 1jwm s ASP 29 Cb 0.00 -2.51 0.02 0.00 -1.45 0.00 0.00 42.92 38.98 1jwm s ASP 29 CO 0.00 -1.48 0.25 -0.67 0.13 0.00 0.00 175.17 173.40 1jwm n ASP 30 N 8.28 -0.97 -3.68 -0.34 2.03 -1.26 -4.91 116.55 115.69 1jwm n ASP 30 Ca 0.04 -1.15 -0.24 0.00 0.52 0.00 0.00 54.79 53.96 1jwm n ASP 30 Cb 0.48 -1.41 -0.17 0.00 -0.72 0.00 0.00 41.12 39.30 1jwm n ASP 30 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1jwm s HIS 31 N -4.01 0.42 -0.21 -0.67 2.46 -1.26 -5.13 115.29 106.88 1jwm s HIS 31 Ca 0.18 -0.24 -0.33 0.00 0.47 0.00 0.00 55.06 55.14 1jwm s HIS 31 Cb -0.10 -0.73 0.15 0.00 -0.13 0.00 0.00 32.58 31.77 1jwm s HIS 31 CO 0.88 -0.41 1.21 1.52 -2.47 0.00 0.00 174.74 175.47 1jwm s TYR 32 N 2.06 -0.15 -0.20 3.88 -0.85 -1.26 -4.60 117.35 116.23 1jwm s TYR 32 Ca 0.03 0.16 -0.08 0.00 -0.52 0.00 0.00 57.07 56.66 1jwm s TYR 32 Cb -0.14 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 1jwm s TYR 32 CO -0.06 -0.19 0.07 0.08 -1.52 0.00 0.00 175.55 173.93 1jwm s VAL 33 N -1.89 4.73 -0.01 -3.49 1.01 -0.06 -4.96 120.40 115.72 1jwm s VAL 33 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1jwm s VAL 33 Cb -0.01 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1jwm s VAL 33 CO -0.05 0.42 -0.03 -0.55 0.00 0.00 0.00 175.10 174.90 1jwm s SER 34 N 0.72 0.50 -0.11 3.32 0.15 -1.25 -2.48 113.70 114.55 1jwm s SER 34 Ca 0.04 -0.06 -0.16 0.00 0.70 0.00 0.00 55.95 56.46 1jwm s SER 34 Cb -0.13 -0.14 0.04 0.00 -1.71 0.00 0.00 66.02 64.07 1jwm s SER 34 CO 0.02 -0.01 0.41 0.00 1.20 0.00 0.00 173.24 174.87 1jwm s ALA 35 N 0.34 -1.03 -0.01 5.45 0.00 -0.33 -4.96 121.76 121.23 1jwm s ALA 35 Ca -0.03 0.94 0.07 0.00 0.00 0.00 0.00 51.96 52.94 1jwm s ALA 35 Cb -0.07 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1jwm s ALA 35 CO -0.01 -0.23 -0.23 0.99 0.00 0.00 0.00 175.76 176.28 1jwm s THR 36 N -0.37 1.81 -0.36 0.00 2.01 -1.26 -0.63 115.64 116.85 1jwm s THR 36 Ca -0.05 -1.03 -0.17 0.00 0.31 0.00 0.00 61.69 60.75 1jwm s THR 36 Cb -0.03 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 70.98 1jwm s THR 36 CO 0.02 0.47 0.43 0.29 -0.69 0.00 0.00 174.62 175.14 1jwm n LYS 37 N 2.39 -2.22 -3.92 4.92 5.02 -0.93 -5.00 118.16 118.42 1jwm n LYS 37 Ca -0.16 1.90 -0.09 0.00 -2.02 0.00 0.00 58.31 57.94 1jwm n LYS 37 Cb 0.52 -4.06 -0.05 0.00 -0.02 0.00 0.00 35.03 31.42 1jwm n LYS 37 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1jwm s VAL 38 N -1.91 0.02 -0.02 -0.18 -7.23 -0.88 -4.91 120.40 105.29 1jwm s VAL 38 Ca 0.21 -1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 59.11 1jwm s VAL 38 Cb -0.04 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.95 1jwm s VAL 38 CO 0.71 -0.11 0.07 -0.75 -0.31 0.00 0.00 175.10 174.71 1jwm s LYS 39 N -3.97 0.17 0.47 4.82 2.20 -1.26 0.03 119.74 122.20 1jwm s LYS 39 Ca 0.18 -0.05 -0.23 0.00 -0.36 0.00 0.00 55.97 55.50 1jwm s LYS 39 Cb 0.00 0.07 -0.09 0.00 -1.51 0.00 0.00 37.83 36.31 1jwm s LYS 39 CO 0.04 -0.03 1.07 -1.13 -0.36 0.00 0.00 175.35 174.94 1jwm n SER 40 N 2.65 1.49 -0.13 1.43 3.41 -1.26 -4.71 113.62 116.51 1jwm n SER 40 Ca -0.15 0.99 0.03 0.00 -0.26 0.00 0.00 58.87 59.48 1jwm n SER 40 Cb 0.58 -1.40 -0.01 0.00 -0.26 0.00 0.00 64.21 63.12 1jwm n SER 40 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1jwm n VAL 41 N -0.75 0.00 -3.98 -3.33 0.24 0.09 -4.96 118.33 105.65 1jwm n VAL 41 Ca 0.10 -0.42 0.02 0.00 -2.04 0.00 0.00 64.34 62.00 1jwm n VAL 41 Cb 0.41 1.07 0.01 0.00 -1.47 0.00 0.00 33.84 33.86 1jwm n VAL 41 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jwm s ASP 42 N -1.11 0.00 0.08 -1.34 3.68 -1.21 -4.99 116.67 111.77 1jwm s ASP 42 Ca 0.05 -0.21 -0.09 0.00 2.13 0.00 0.00 52.55 54.43 1jwm s ASP 42 Cb 0.05 0.15 0.00 0.00 -1.45 0.00 0.00 42.92 41.67 1jwm s ASP 42 CO 0.17 -0.30 0.20 -0.54 0.13 0.00 0.00 175.17 174.83 1jwm s LYS 43 N -2.04 0.81 0.00 4.34 1.02 -1.26 -0.64 119.74 121.97 1jwm s LYS 43 Ca 0.29 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1jwm s LYS 43 Cb -0.00 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 1jwm s LYS 43 CO -0.01 -0.25 0.00 0.34 -0.92 0.00 0.00 175.35 174.51 1jwm n PHE 44 N 0.13 0.00 -3.82 3.18 -0.00 -1.26 -4.80 117.46 110.90 1jwm n PHE 44 Ca -0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.04 1jwm n PHE 44 Cb 0.61 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 40.07 1jwm n PHE 44 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1jwm s LEU 45 N -2.95 4.27 0.34 -2.13 1.43 -1.26 -5.00 118.68 113.38 1jwm s LEU 45 Ca 0.00 0.25 0.15 0.00 -1.03 0.00 0.00 54.13 53.50 1jwm s LEU 45 Cb 0.00 -3.02 1.10 0.00 0.03 0.00 0.00 46.19 44.30 1jwm s LEU 45 CO 0.00 -0.04 1.66 0.00 0.23 0.00 0.00 176.35 178.20 1jwm h ALA 46 N 1.74 1.97 -0.06 4.21 0.00 -2.00 -1.84 119.26 123.27 1jwm h ALA 46 Ca -0.49 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jwm h ALA 46 Cb 1.20 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1jwm h ALA 46 CO 0.66 -0.59 0.00 -2.39 0.00 0.00 0.00 179.25 176.93 1jwm n HIS 47 N -5.06 0.10 -4.42 0.00 1.44 -1.26 -4.70 115.22 101.31 1jwm n HIS 47 Ca 0.32 -0.04 -0.21 0.00 -2.01 0.00 0.00 57.72 55.78 1jwm n HIS 47 Cb 1.00 -0.03 -0.10 0.00 0.12 0.00 0.00 29.99 30.99 1jwm n HIS 47 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1jwm s ASP 48 N -0.81 2.08 -0.01 4.39 1.47 -0.69 -1.47 116.67 121.63 1jwm s ASP 48 Ca 0.04 -1.47 -0.01 0.00 1.18 0.00 0.00 52.55 52.30 1jwm s ASP 48 Cb 0.02 0.16 0.00 0.00 -0.34 0.00 0.00 42.92 42.77 1jwm s ASP 48 CO 0.02 -0.74 0.02 -0.76 0.68 0.00 0.00 175.17 174.39 1jwm s LEU 49 N -3.46 1.86 -0.11 2.11 1.43 -0.72 -4.55 118.68 115.24 1jwm s LEU 49 Ca 0.34 0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1jwm s LEU 49 Cb 0.07 0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.31 1jwm s LEU 49 CO 0.15 -0.02 -0.08 -0.63 0.23 0.00 0.00 176.35 176.00 1jwm s ILE 50 N 0.11 3.51 0.09 -0.59 1.09 0.19 -0.70 121.20 124.89 1jwm s ILE 50 Ca -0.01 -0.52 0.08 0.00 -1.10 0.00 0.00 60.65 59.11 1jwm s ILE 50 Cb -0.01 -2.47 -0.03 0.00 -1.06 0.00 0.00 42.46 38.88 1jwm s ILE 50 CO -0.00 0.54 -0.21 -0.31 -0.10 0.00 0.00 174.94 174.86 1jwm s TYR 51 N -0.07 1.81 -0.93 3.97 1.51 0.27 -0.73 117.35 123.18 1jwm s TYR 51 Ca -0.00 -0.41 -0.19 0.00 -1.01 0.00 0.00 57.07 55.46 1jwm s TYR 51 Cb -0.13 -1.01 0.13 0.00 -0.11 0.00 0.00 41.96 40.84 1jwm s TYR 51 CO 0.03 0.19 1.13 -0.80 -1.11 0.00 0.00 175.55 174.99 1jwm s ASN 52 N -1.80 6.63 -0.10 2.29 0.01 -1.26 -1.17 114.94 119.53 1jwm s ASN 52 Ca 0.07 -2.04 0.01 0.00 -0.71 0.00 0.00 52.86 50.19 1jwm s ASN 52 Cb -0.10 -2.40 0.02 0.00 0.41 0.00 0.00 41.25 39.18 1jwm s ASN 52 CO 0.04 -1.06 -0.13 -0.63 -1.51 0.00 0.00 177.10 173.80 1jwm s ILE 53 N 2.69 1.33 0.24 0.60 1.01 -1.09 -4.99 121.20 120.98 1jwm s ILE 53 Ca 0.33 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 1jwm s ILE 53 Cb -0.05 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 1jwm s ILE 53 CO -0.09 0.41 0.46 -0.44 0.00 0.00 0.00 174.94 175.27 1jwm s SER 54 N 1.09 6.42 -1.26 3.58 0.01 -1.26 -3.66 113.70 118.61 1jwm s SER 54 Ca -0.05 0.54 -0.16 0.00 1.31 0.00 0.00 55.95 57.59 1jwm s SER 54 Cb -0.14 -2.07 0.12 0.00 0.21 0.00 0.00 66.02 64.13 1jwm s SER 54 CO -0.02 -0.11 1.61 -0.67 0.41 0.00 0.00 173.24 174.46 1jwm n ASP 55 N -0.75 5.05 -0.30 2.44 4.64 0.59 -4.80 116.55 123.42 1jwm n ASP 55 Ca -0.03 -2.95 0.13 0.00 -1.38 0.00 0.00 54.79 50.56 1jwm n ASP 55 Cb 0.54 -1.66 0.30 0.00 -1.04 0.00 0.00 41.12 39.26 1jwm n ASP 55 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1jwm h LYS 56 N 7.30 0.29 0.00 -0.67 1.79 -1.95 0.56 116.57 123.89 1jwm h LYS 56 Ca 0.39 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1jwm h LYS 56 Cb 0.86 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1jwm h LYS 56 CO 1.37 0.19 0.00 1.63 -1.08 0.00 0.00 179.45 181.57 1jwm n LYS 57 N -5.13 0.00 -0.39 3.15 5.02 -1.26 -4.25 118.16 115.30 1jwm n LYS 57 Ca 0.22 0.08 0.08 0.00 -2.02 0.00 0.00 58.31 56.67 1jwm n LYS 57 Cb 0.67 -0.64 0.24 0.00 -0.02 0.00 0.00 35.03 35.28 1jwm n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jwm n LEU 58 N -0.22 3.73 -3.61 -0.35 7.99 -1.21 -4.99 117.00 118.34 1jwm n LEU 58 Ca 0.00 -2.56 -0.29 0.00 -0.01 0.00 0.00 56.01 53.16 1jwm n LEU 58 Cb 0.00 -0.44 0.05 0.00 -0.11 0.00 0.00 43.42 42.92 1jwm n LEU 58 CO 0.00 0.71 -0.05 0.29 -1.51 0.00 0.00 177.39 176.83 1jwm n LYS 59 N 0.15 -1.41 0.00 3.23 4.76 0.19 -4.91 118.16 120.18 1jwm n LYS 59 Ca 0.19 0.53 0.08 0.00 -2.87 0.00 0.00 58.31 56.23 1jwm n LYS 59 Cb 0.73 -4.42 0.06 0.00 -1.84 0.00 0.00 35.03 29.56 1jwm n LYS 59 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jwm n ASN 60 N -2.77 2.23 -3.63 4.39 5.03 -1.26 -4.94 115.26 114.32 1jwm n ASN 60 Ca -0.09 -1.62 -0.03 0.00 0.87 0.00 0.00 54.58 53.71 1jwm n ASN 60 Cb 0.60 0.08 -0.03 0.00 -1.02 0.00 0.00 39.78 39.41 1jwm n ASN 60 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1jwm s TYR 61 N -1.46 -0.07 0.00 3.10 -0.85 -1.26 -4.39 117.35 112.42 1jwm s TYR 61 Ca 0.18 0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.81 1jwm s TYR 61 Cb 0.14 0.50 0.00 0.00 0.38 0.00 0.00 41.96 42.97 1jwm s TYR 61 CO 0.24 -0.09 0.19 -0.40 -1.52 0.00 0.00 175.55 173.97 1jwm n ASP 62 N 0.21 0.08 -3.99 -0.18 3.85 0.12 -0.30 116.55 116.34 1jwm n ASP 62 Ca 0.01 -1.02 -0.25 0.00 -0.71 0.00 0.00 54.79 52.82 1jwm n ASP 62 Cb 0.58 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 40.18 1jwm n ASP 62 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1jwm s LYS 63 N -0.02 1.66 -0.12 0.11 -0.14 -0.95 -2.67 119.74 117.62 1jwm s LYS 63 Ca 0.00 -0.37 0.01 0.00 -1.36 0.00 0.00 55.97 54.25 1jwm s LYS 63 Cb 0.00 -1.48 0.02 0.00 -1.68 0.00 0.00 37.83 34.69 1jwm s LYS 63 CO 0.00 -0.07 -0.13 0.08 -0.76 0.00 0.00 175.35 174.47 1jwm s VAL 64 N 1.01 1.39 -0.16 3.17 1.01 -0.32 -1.39 120.40 125.11 1jwm s VAL 64 Ca -0.08 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1jwm s VAL 64 Cb -0.15 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1jwm s VAL 64 CO -0.00 0.42 0.04 -0.75 0.00 0.00 0.00 175.10 174.81 1jwm s LYS 65 N 1.35 3.72 -0.05 2.72 2.20 -0.58 -0.57 119.74 128.54 1jwm s LYS 65 Ca 0.01 -0.37 0.06 0.00 -0.36 0.00 0.00 55.97 55.30 1jwm s LYS 65 Cb -0.13 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.09 1jwm s LYS 65 CO -0.07 0.38 -0.22 -0.08 -0.36 0.00 0.00 175.35 175.00 1jwm s THR 66 N 0.06 1.81 -0.09 3.43 -1.32 0.12 -1.06 115.64 118.59 1jwm s THR 66 Ca 0.04 -0.93 -0.05 0.00 -1.21 0.00 0.00 61.69 59.54 1jwm s THR 66 Cb -0.12 -1.53 -0.04 0.00 -1.51 0.00 0.00 72.50 69.29 1jwm s THR 66 CO 0.01 0.51 0.11 -1.61 -2.21 0.00 0.00 174.62 171.43 1jwm s GLU 67 N -0.12 3.29 0.24 7.08 2.02 -0.12 -1.75 118.70 129.34 1jwm s GLU 67 Ca -0.03 -0.25 0.11 0.00 0.02 0.00 0.00 54.97 54.83 1jwm s GLU 67 Cb -0.13 -3.05 -0.05 0.00 0.10 0.00 0.00 34.13 31.00 1jwm s GLU 67 CO 0.03 0.74 -0.19 -0.51 0.02 0.00 0.00 175.26 175.34 1jwm s LEU 68 N -1.16 2.61 0.54 1.80 1.43 -0.54 -1.96 118.68 121.40 1jwm s LEU 68 Ca 0.17 -0.90 0.37 0.00 -1.03 0.00 0.00 54.13 52.73 1jwm s LEU 68 Cb -0.12 -1.22 1.55 0.00 0.03 0.00 0.00 46.19 46.43 1jwm s LEU 68 CO 0.06 0.07 1.81 0.25 0.23 0.00 0.00 176.35 178.77 1jwm h LEU 69 N 2.66 0.00 -7.99 1.79 5.85 -1.71 -3.45 115.31 112.46 1jwm h LEU 69 Ca -0.43 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.30 1jwm h LEU 69 Cb 1.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1jwm h LEU 69 CO 0.55 0.00 0.32 0.54 -0.34 0.00 0.00 178.44 179.51 1jwm s ASN 70 N -5.17 -0.00 0.22 1.25 2.20 -1.26 -5.06 114.94 107.12 1jwm s ASN 70 Ca -0.05 -1.07 0.00 0.00 -0.94 0.00 0.00 52.86 50.80 1jwm s ASN 70 Cb 0.23 0.80 0.21 0.00 -2.00 0.00 0.00 41.25 40.49 1jwm s ASN 70 CO 0.81 -1.59 1.57 -0.08 -2.94 0.00 0.00 177.10 174.87 1jwm h GLU 71 N 2.00 0.46 -0.43 3.55 4.81 -1.86 -3.04 114.58 120.07 1jwm h GLU 71 Ca -0.31 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 58.63 1jwm h GLU 71 Cb 1.25 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1jwm h GLU 71 CO 0.40 0.85 0.18 -0.44 -0.73 0.00 0.00 179.01 179.27 1jwm h ASP 72 N 0.37 0.58 -0.01 1.04 3.32 -1.97 0.28 116.42 120.02 1jwm h ASP 72 Ca 0.02 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1jwm h ASP 72 Cb 1.00 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 1jwm h ASP 72 CO 0.09 0.58 0.01 0.25 -1.72 0.00 0.00 179.24 178.45 1jwm h LEU 73 N 0.55 0.00 0.15 1.55 5.85 -1.96 0.11 115.31 121.56 1jwm h LEU 73 Ca 0.14 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.56 1jwm h LEU 73 Cb 0.17 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.22 1jwm h LEU 73 CO -0.01 0.00 -1.32 0.00 -0.34 0.00 0.00 178.44 176.77 1jwm h ALA 74 N 1.99 -0.00 -0.61 1.25 0.00 -1.18 -3.23 119.26 117.49 1jwm h ALA 74 Ca 0.01 -0.85 -0.06 0.00 0.00 0.00 0.00 54.91 54.01 1jwm h ALA 74 Cb 0.03 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1jwm h ALA 74 CO -0.00 0.81 0.13 0.87 0.00 0.00 0.00 179.25 181.06 1jwm h LYS 75 N 0.15 0.96 -0.08 0.00 1.57 0.82 0.54 116.57 120.53 1jwm h LYS 75 Ca -0.19 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.41 1jwm h LYS 75 Cb 2.01 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 34.15 1jwm h LYS 75 CO 0.24 0.87 -0.15 -0.22 -0.57 0.00 0.00 179.45 179.61 1jwm h LYS 76 N 0.91 -0.21 -0.01 3.15 3.64 -0.86 -3.08 116.57 120.12 1jwm h LYS 76 Ca 0.19 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1jwm h LYS 76 Cb 0.36 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1jwm h LYS 76 CO 0.00 -0.14 -0.38 0.66 -2.27 0.00 0.00 179.45 177.32 1jwm n TYR 77 N -5.29 0.00 -0.29 1.91 4.02 -1.16 -4.51 117.16 111.83 1jwm n TYR 77 Ca -0.04 0.00 0.28 0.00 -0.01 0.00 0.00 57.90 58.13 1jwm n TYR 77 Cb 0.21 -0.09 0.63 0.00 -0.02 0.00 0.00 39.34 40.07 1jwm n TYR 77 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1jwm h LYS 78 N 1.38 0.19 -0.03 -0.72 3.64 -0.79 -2.34 116.57 117.90 1jwm h LYS 78 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jwm h LYS 78 Cb 0.58 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1jwm h LYS 78 CO 0.00 0.13 0.00 -0.25 -2.27 0.00 0.00 179.45 177.06 1jwm n ASP 79 N -4.41 1.74 -4.91 4.20 8.00 -1.26 -4.29 116.55 115.62 1jwm n ASP 79 Ca 0.24 -1.63 -0.27 0.00 0.71 0.00 0.00 54.79 53.84 1jwm n ASP 79 Cb 1.01 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 42.07 1jwm n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1jwm s GLU 80 N -0.65 3.58 -0.07 -1.24 2.02 -0.88 -5.00 118.70 116.46 1jwm s GLU 80 Ca 0.03 0.12 -0.24 0.00 0.02 0.00 0.00 54.97 54.90 1jwm s GLU 80 Cb 0.02 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 1jwm s GLU 80 CO 0.02 -0.06 0.74 0.08 0.02 0.00 0.00 175.26 176.05 1jwm s VAL 81 N -2.53 5.02 0.34 2.63 1.01 -1.26 -4.43 120.40 121.18 1jwm s VAL 81 Ca 0.46 1.52 0.06 0.00 0.00 0.00 0.00 61.98 64.02 1jwm s VAL 81 Cb -0.10 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1jwm s VAL 81 CO 0.39 0.23 0.24 0.68 0.00 0.00 0.00 175.10 176.64 1jwm s VAL 82 N 0.91 0.11 0.08 2.92 -7.23 0.10 -1.72 120.40 115.57 1jwm s VAL 82 Ca 0.39 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.65 1jwm s VAL 82 Cb -0.18 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1jwm s VAL 82 CO 0.19 0.00 -0.22 -1.81 -0.31 0.00 0.00 175.10 172.95 1jwm s ASP 83 N -3.41 3.55 -0.06 4.85 1.01 0.15 -2.08 116.67 120.68 1jwm s ASP 83 Ca 0.37 -0.56 0.03 0.00 0.71 0.00 0.00 52.55 53.10 1jwm s ASP 83 Cb 0.03 -0.43 0.01 0.00 1.01 0.00 0.00 42.92 43.53 1jwm s ASP 83 CO 0.24 0.23 -0.15 -0.69 0.21 0.00 0.00 175.17 175.01 1jwm s VAL 84 N -0.96 1.33 -0.17 -1.27 1.01 0.20 -2.38 120.40 118.16 1jwm s VAL 84 Ca 0.14 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 1jwm s VAL 84 Cb -0.10 -1.17 0.06 0.00 0.00 0.00 0.00 36.38 35.16 1jwm s VAL 84 CO 0.05 0.39 0.41 -0.47 0.00 0.00 0.00 175.10 175.49 1jwm s TYR 85 N 0.38 -0.58 0.00 5.22 5.04 -0.37 -1.18 117.35 125.87 1jwm s TYR 85 Ca -0.11 1.25 0.00 0.00 -2.44 0.00 0.00 57.07 55.77 1jwm s TYR 85 Cb -0.14 0.25 0.00 0.00 0.35 0.00 0.00 41.96 42.41 1jwm s TYR 85 CO 0.04 -0.32 0.00 0.41 -1.34 0.00 0.00 175.55 174.34 1jwm n GLY 86 N 4.03 0.34 3.64 8.97 0.00 -1.04 -4.07 105.19 117.07 1jwm n GLY 86 Ca -0.22 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 1jwm n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jwm s SER 87 N 0.00 6.40 0.29 1.61 0.15 -1.26 -0.88 113.70 120.00 1jwm s SER 87 Ca 0.00 0.47 0.06 0.00 0.70 0.00 0.00 55.95 57.18 1jwm s SER 87 Cb 0.00 -2.24 -0.02 0.00 -1.71 0.00 0.00 66.02 62.05 1jwm s SER 87 CO 0.00 -0.16 0.40 0.54 1.20 0.00 0.00 173.24 175.23 1jwm s ASN 88 N 1.31 6.12 0.14 5.45 6.03 -1.26 -4.55 114.94 128.18 1jwm s ASN 88 Ca 0.19 -0.07 -0.01 0.00 -1.03 0.00 0.00 52.86 51.94 1jwm s ASN 88 Cb -0.15 -1.54 -0.04 0.00 -3.03 0.00 0.00 41.25 36.49 1jwm s ASN 88 CO 0.09 -0.24 0.05 -0.72 -2.03 0.00 0.00 177.10 174.25 1jwm s TYR 89 N -2.08 0.94 0.00 1.54 1.13 -0.71 -4.92 117.35 113.25 1jwm s TYR 89 Ca 0.39 -1.20 0.00 0.00 -1.41 0.00 0.00 57.07 54.85 1jwm s TYR 89 Cb -0.09 -0.53 0.00 0.00 -1.10 0.00 0.00 41.96 40.24 1jwm s TYR 89 CO 0.30 -0.47 0.00 0.66 -2.51 0.00 0.00 175.55 173.53 1jwm n TYR 90 N -0.13 0.00 -1.68 -3.49 4.02 -1.26 -2.15 117.16 112.47 1jwm n TYR 90 Ca -0.05 0.00 -0.47 0.00 -0.01 0.00 0.00 57.90 57.37 1jwm n TYR 90 Cb 0.64 0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.92 1jwm n TYR 90 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1jwm n VAL 91 N -2.26 0.54 -2.71 -0.72 0.31 -1.26 -1.04 118.33 111.19 1jwm n VAL 91 Ca 0.00 -0.10 -0.17 0.00 -0.01 0.00 0.00 64.34 64.06 1jwm n VAL 91 Cb 0.36 -1.93 0.02 0.00 -0.91 0.00 0.00 33.84 31.38 1jwm n VAL 91 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1jwm n ASN 92 N 6.39 -5.03 -4.48 4.52 5.03 -1.26 -4.70 115.26 115.73 1jwm n ASN 92 Ca 0.21 -0.17 -0.40 0.00 0.87 0.00 0.00 54.58 55.10 1jwm n ASN 92 Cb 0.32 -3.94 -0.11 0.00 -1.02 0.00 0.00 39.78 35.02 1jwm n ASN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jwm s TYR 94 N 1.66 0.75 0.00 0.00 2.02 -1.26 -4.99 117.35 115.53 1jwm s TYR 94 Ca 0.05 -0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 1jwm s TYR 94 Cb -0.17 -0.47 0.00 0.00 -0.40 0.00 0.00 41.96 40.92 1jwm s TYR 94 CO 0.08 -0.02 0.00 1.97 -1.57 0.00 0.00 175.55 176.02 1jwm n PHE 95 N 2.57 0.00 0.00 2.71 1.16 -1.26 -5.06 117.46 117.58 1jwm n PHE 95 Ca -0.15 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.34 1jwm n PHE 95 Cb 0.57 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.37 1jwm n PHE 95 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1jwm h SER 96 N 0.00 -0.10 -3.88 5.98 0.87 -1.97 -3.51 113.55 110.94 1jwm h SER 96 Ca 0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1jwm h SER 96 Cb 0.00 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1jwm h SER 96 CO 0.00 0.54 -0.60 -0.24 -0.53 0.00 0.00 176.83 176.01 1jwm n SER 97 N -4.82 -3.86 0.00 6.23 2.88 -1.26 -5.17 113.62 107.62 1jwm n SER 97 Ca -0.06 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1jwm n SER 97 Cb 0.24 -3.05 0.00 0.00 -0.75 0.00 0.00 64.21 60.66 1jwm n SER 97 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jwm n LYS 98 N 0.86 0.00 -1.14 -1.46 5.02 -1.26 -5.16 118.16 115.02 1jwm n LYS 98 Ca -0.08 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.35 1jwm n LYS 98 Cb 0.13 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.07 1jwm n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jwm n GLY 106 N 0.00 -3.09 3.86 0.72 0.00 -1.26 -5.02 105.19 100.40 1jwm n GLY 106 Ca 0.00 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 1jwm n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jwm s GLY 107 N -6.62 1.86 -0.03 -0.02 0.00 -1.26 -4.79 107.32 96.46 1jwm s GLY 107 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 44.72 44.82 1jwm s GLY 107 CO 0.00 0.31 -0.20 -1.59 0.00 0.00 0.00 173.10 171.62 1jwm s LYS 108 N -4.62 1.77 0.09 2.90 -2.85 -1.26 0.16 119.74 115.93 1jwm s LYS 108 Ca 0.57 -0.72 0.03 0.00 -1.00 0.00 0.00 55.97 54.86 1jwm s LYS 108 Cb -0.10 -1.64 -0.04 0.00 -2.06 0.00 0.00 37.83 33.99 1jwm s LYS 108 CO 0.43 0.38 -0.10 -0.08 0.10 0.00 0.00 175.35 176.08 1jwm s THR 109 N -0.32 0.90 0.38 3.79 -1.32 -0.48 -4.97 115.64 113.62 1jwm s THR 109 Ca 0.04 -1.64 0.08 0.00 -1.21 0.00 0.00 61.69 58.96 1jwm s THR 109 Cb -0.09 -1.35 -0.05 0.00 -1.51 0.00 0.00 72.50 69.49 1jwm s THR 109 CO 0.00 -0.58 0.11 0.00 -2.21 0.00 0.00 174.62 171.94 1jwm n MET 111 N -1.11 0.26 -4.17 0.00 0.00 -0.22 -1.74 117.12 110.14 1jwm n MET 111 Ca -0.03 -0.71 -0.14 0.00 0.00 0.00 0.00 57.70 56.82 1jwm n MET 111 Cb 0.64 1.04 -0.11 0.00 0.00 0.00 0.00 33.22 34.78 1jwm n MET 111 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1jwm s TYR 112 N -2.97 1.03 0.00 3.17 1.51 -1.26 -0.95 117.35 117.88 1jwm s TYR 112 Ca 0.17 -0.66 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 1jwm s TYR 112 Cb -0.01 -0.57 0.00 0.00 -0.11 0.00 0.00 41.96 41.27 1jwm s TYR 112 CO 0.02 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.85 1jwm n GLY 113 N 0.60 2.43 2.42 0.71 0.00 -0.83 -4.82 105.19 105.71 1jwm n GLY 113 Ca -0.16 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1jwm n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jwm n GLY 114 N 0.00 1.46 3.50 -0.02 0.00 -1.26 -4.86 105.19 104.01 1jwm n GLY 114 Ca 0.00 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1jwm n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jwm s ILE 115 N -2.51 4.04 0.00 -0.61 -1.09 -1.26 -1.23 121.20 118.53 1jwm s ILE 115 Ca 0.00 -0.30 -0.01 0.00 -2.23 0.00 0.00 60.65 58.11 1jwm s ILE 115 Cb 0.00 -2.79 -0.01 0.00 -1.58 0.00 0.00 42.46 38.08 1jwm s ILE 115 CO 0.00 0.47 0.02 0.42 -1.23 0.00 0.00 174.94 174.62 1jwm s THR 116 N 0.52 0.05 0.41 2.92 -4.23 -1.00 -4.94 115.64 109.36 1jwm s THR 116 Ca -0.02 -0.38 -0.27 0.00 -1.18 0.00 0.00 61.69 59.85 1jwm s THR 116 Cb -0.14 -0.16 -0.09 0.00 1.34 0.00 0.00 72.50 73.45 1jwm s THR 116 CO 0.02 -0.21 1.41 -0.75 -0.54 0.00 0.00 174.62 174.55 1jwm s LYS 117 N -0.62 3.93 -0.08 3.99 2.20 -1.26 -0.67 119.74 127.22 1jwm s LYS 117 Ca -0.07 2.39 -0.11 0.00 -0.36 0.00 0.00 55.97 57.82 1jwm s LYS 117 Cb -0.04 -2.80 -0.29 0.00 -1.51 0.00 0.00 37.83 33.18 1jwm s LYS 117 CO -0.00 -0.61 0.57 1.25 -0.36 0.00 0.00 175.35 176.20 1jwm h HIS 118 N 2.69 0.62 -1.59 4.03 -0.00 -1.61 -3.43 115.15 115.85 1jwm h HIS 118 Ca -0.50 -0.45 -0.72 0.00 -0.00 0.00 0.00 60.37 58.70 1jwm h HIS 118 Cb 1.25 -0.02 0.03 0.00 -0.00 0.00 0.00 27.41 28.67 1jwm h HIS 118 CO 0.52 1.69 0.70 -1.91 -0.00 0.00 0.00 177.93 178.93 1jwm n GLU 119 N -3.63 1.13 -4.29 5.26 4.07 -1.26 -2.56 120.64 119.35 1jwm n GLU 119 Ca -0.27 0.41 -0.34 0.00 -0.06 0.00 0.00 57.16 56.90 1jwm n GLU 119 Cb 1.04 -2.07 -0.06 0.00 -0.06 0.00 0.00 31.44 30.28 1jwm n GLU 119 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jwm n GLY 120 N 3.46 -0.28 0.52 8.31 0.00 -1.26 -4.81 105.19 111.12 1jwm n GLY 120 Ca 0.23 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.45 1jwm n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jwm n ASN 121 N -2.74 1.55 -4.22 1.61 5.15 -1.06 -4.99 115.26 110.55 1jwm n ASN 121 Ca -0.12 -3.00 -0.28 0.00 -0.60 0.00 0.00 54.58 50.58 1jwm n ASN 121 Cb 0.59 -0.40 -0.08 0.00 -0.53 0.00 0.00 39.78 39.35 1jwm n ASN 121 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1jwm s HIS 122 N -2.08 1.79 -0.21 1.20 3.76 -1.26 -1.76 115.29 116.73 1jwm s HIS 122 Ca 0.29 -1.24 -0.03 0.00 -0.15 0.00 0.00 55.06 53.93 1jwm s HIS 122 Cb 0.28 -1.25 -0.00 0.00 1.11 0.00 0.00 32.58 32.72 1jwm s HIS 122 CO -0.04 -0.21 -0.07 -0.06 -0.85 0.00 0.00 174.74 173.51 1jwm s PHE 123 N -3.12 2.92 0.00 1.40 0.40 -1.26 -4.89 117.98 113.43 1jwm s PHE 123 Ca 0.19 -1.06 -0.23 0.00 -0.60 0.00 0.00 56.93 55.22 1jwm s PHE 123 Cb 0.02 -2.07 -0.29 0.00 0.51 0.00 0.00 43.02 41.19 1jwm s PHE 123 CO 0.12 -0.59 1.38 -0.40 0.70 0.00 0.00 175.22 176.43 1jwm n ASP 124 N 4.76 0.67 0.00 1.36 5.68 -1.26 -2.21 116.55 125.54 1jwm n ASP 124 Ca -0.19 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 51.88 1jwm n ASP 124 Cb 0.51 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1jwm n ASP 124 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1jwm n ASN 125 N 7.84 0.00 -1.01 -1.12 4.05 -1.26 -4.86 115.26 118.90 1jwm n ASN 125 Ca 0.35 0.00 -0.11 0.00 0.45 0.00 0.00 54.58 55.27 1jwm n ASN 125 Cb 0.34 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.32 1jwm n ASN 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1jwm n GLY 126 N 0.00 0.75 3.73 8.20 0.00 -0.94 -4.96 105.19 111.97 1jwm n GLY 126 Ca 0.00 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1jwm n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jwm s ASN 127 N -2.74 7.20 0.23 1.61 -0.87 -1.23 -5.06 114.94 114.07 1jwm s ASN 127 Ca 0.00 1.44 0.04 0.00 -1.57 0.00 0.00 52.86 52.77 1jwm s ASN 127 Cb 0.00 -2.48 -0.03 0.00 -0.02 0.00 0.00 41.25 38.72 1jwm s ASN 127 CO 0.00 -0.09 0.35 -0.76 -2.57 0.00 0.00 177.10 174.03 1jwm s LEU 128 N 0.44 4.31 -0.07 0.60 1.43 -1.26 -4.37 118.68 119.76 1jwm s LEU 128 Ca 0.42 0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.61 1jwm s LEU 128 Cb -0.20 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 1jwm s LEU 128 CO 0.23 -0.06 0.06 -1.58 0.23 0.00 0.00 176.35 175.23 1jwm s GLN 129 N -3.84 3.12 -0.11 1.70 2.00 0.24 -4.92 119.66 117.85 1jwm s GLN 129 Ca 0.34 -0.37 -0.09 0.00 -2.00 0.00 0.00 55.36 53.25 1jwm s GLN 129 Cb -0.09 -2.91 -0.04 0.00 0.80 0.00 0.00 33.01 30.76 1jwm s GLN 129 CO 0.29 0.70 0.18 -0.80 -0.50 0.00 0.00 175.29 175.17 1jwm s ASN 130 N -1.19 6.43 -0.09 6.67 0.01 -1.26 -1.99 114.94 123.51 1jwm s ASN 130 Ca 0.17 0.51 0.03 0.00 -0.71 0.00 0.00 52.86 52.86 1jwm s ASN 130 Cb -0.12 -2.10 0.01 0.00 0.41 0.00 0.00 41.25 39.45 1jwm s ASN 130 CO 0.06 0.36 -0.18 -0.69 -1.51 0.00 0.00 177.10 175.15 1jwm s VAL 131 N -0.83 1.59 0.16 1.60 1.01 -0.60 -4.82 120.40 118.50 1jwm s VAL 131 Ca 0.15 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1jwm s VAL 131 Cb -0.13 -1.41 -0.08 0.00 0.00 0.00 0.00 36.38 34.77 1jwm s VAL 131 CO 0.05 0.46 1.18 -0.22 0.00 0.00 0.00 175.10 176.56 1jwm s LEU 132 N 0.57 4.44 -0.15 3.92 2.96 -1.26 -2.13 118.68 127.04 1jwm s LEU 132 Ca -0.15 2.16 -0.01 0.00 -0.22 0.00 0.00 54.13 55.91 1jwm s LEU 132 Cb -0.17 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 42.96 1jwm s LEU 132 CO 0.05 -0.36 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.01 1jwm s VAL 133 N 0.11 0.83 -0.16 1.68 1.01 -0.37 -1.40 120.40 122.10 1jwm s VAL 133 Ca 0.53 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 1jwm s VAL 133 Cb -0.31 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1jwm s VAL 133 CO 0.35 0.10 -0.04 -0.13 0.00 0.00 0.00 175.10 175.38 1jwm s ARG 134 N 1.75 3.64 -0.12 2.72 0.52 -0.28 -1.05 118.95 126.13 1jwm s ARG 134 Ca 0.01 -0.53 -0.11 0.00 -0.52 0.00 0.00 55.73 54.58 1jwm s ARG 134 Cb -0.15 -2.92 -0.05 0.00 0.52 0.00 0.00 34.95 32.36 1jwm s ARG 134 CO -0.07 0.20 0.22 0.08 0.02 0.00 0.00 175.30 175.75 1jwm s VAL 135 N 0.47 5.35 -0.22 3.52 1.01 0.59 -1.62 120.40 129.50 1jwm s VAL 135 Ca -0.04 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1jwm s VAL 135 Cb -0.14 -3.53 0.05 0.00 0.00 0.00 0.00 36.38 32.76 1jwm s VAL 135 CO 0.03 0.52 -0.11 -0.31 0.00 0.00 0.00 175.10 175.23 1jwm s TYR 136 N -0.39 2.74 -0.30 5.22 1.51 0.36 -1.01 117.35 125.49 1jwm s TYR 136 Ca 0.16 -1.87 -0.08 0.00 -1.01 0.00 0.00 57.07 54.27 1jwm s TYR 136 Cb -0.13 -1.76 -0.00 0.00 -0.11 0.00 0.00 41.96 39.96 1jwm s TYR 136 CO 0.04 -0.80 0.11 -1.21 -1.11 0.00 0.00 175.55 172.59 1jwm s GLU 137 N 1.28 3.26 -1.24 -0.62 2.02 -0.19 0.52 118.70 123.73 1jwm s GLU 137 Ca -0.04 -0.76 -0.00 0.00 0.02 0.00 0.00 54.97 54.19 1jwm s GLU 137 Cb -0.17 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.60 1jwm s GLU 137 CO -0.07 -0.41 0.91 0.09 0.02 0.00 0.00 175.26 175.80 1jwm n ASN 138 N 4.93 -1.87 0.00 -0.19 3.02 -0.36 -2.45 115.26 118.34 1jwm n ASN 138 Ca -0.14 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1jwm n ASN 138 Cb 0.49 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 34.86 1jwm n ASN 138 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jwm n LYS 139 N -4.19 0.00 -4.10 3.52 5.02 -1.26 -4.96 118.16 112.19 1jwm n LYS 139 Ca -0.29 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.66 1jwm n LYS 139 Cb 0.67 -3.13 -0.10 0.00 -0.02 0.00 0.00 35.03 32.45 1jwm n LYS 139 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1jwm s ARG 140 N -0.12 3.78 -0.31 1.97 0.52 -1.02 -5.03 118.95 118.73 1jwm s ARG 140 Ca 0.00 -0.36 -0.29 0.00 -0.52 0.00 0.00 55.73 54.56 1jwm s ARG 140 Cb 0.00 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 32.33 1jwm s ARG 140 CO 0.00 0.36 1.69 1.21 0.02 0.00 0.00 175.30 178.58 1jwm s ASN 141 N 0.11 6.10 -0.12 0.23 2.47 -1.26 -1.02 114.94 121.44 1jwm s ASN 141 Ca 0.04 1.33 -0.05 0.00 0.42 0.00 0.00 52.86 54.61 1jwm s ASN 141 Cb -0.12 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.13 1jwm s ASN 141 CO 0.01 -1.54 -0.09 0.71 -3.72 0.00 0.00 177.10 172.47 1jwm h THR 142 N 6.57 0.00 -3.89 -5.21 1.35 -1.40 -3.48 112.91 106.86 1jwm h THR 142 Ca -0.33 -0.99 -0.21 0.00 -0.55 0.00 0.00 66.41 64.33 1jwm h THR 142 Cb 1.16 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 67.42 1jwm h THR 142 CO 1.03 0.00 -0.70 0.27 -0.25 0.00 0.00 175.52 175.87 1jwm s ILE 143 N -1.90 0.61 0.10 6.82 -0.00 -1.24 -5.03 121.20 120.56 1jwm s ILE 143 Ca -0.08 -1.83 0.03 0.00 -0.00 0.00 0.00 60.65 58.78 1jwm s ILE 143 Cb 0.01 -1.55 -0.04 0.00 -0.00 0.00 0.00 42.46 40.89 1jwm s ILE 143 CO 0.11 -0.84 -0.09 -0.44 -0.00 0.00 0.00 174.94 173.68 1jwm s SER 144 N -2.88 1.39 0.00 4.36 0.01 -1.26 -0.30 113.70 115.03 1jwm s SER 144 Ca 0.09 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1jwm s SER 144 Cb 0.04 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1jwm s SER 144 CO -0.05 -0.31 0.00 2.22 0.41 0.00 0.00 173.24 175.51 1jwm n PHE 145 N 0.39 -0.29 -3.97 2.43 -1.74 -0.22 -5.00 117.46 109.07 1jwm n PHE 145 Ca -0.15 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.65 1jwm n PHE 145 Cb 0.59 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.47 1jwm n PHE 145 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1jwm s GLU 146 N -0.30 0.29 0.26 3.97 2.02 -1.26 -1.24 118.70 122.43 1jwm s GLU 146 Ca 0.00 -0.55 0.11 0.00 0.02 0.00 0.00 54.97 54.54 1jwm s GLU 146 Cb 0.00 0.10 -0.05 0.00 0.10 0.00 0.00 34.13 34.29 1jwm s GLU 146 CO 0.00 -0.05 -0.10 0.14 0.02 0.00 0.00 175.26 175.27 1jwm s VAL 147 N -1.33 2.98 0.02 2.63 -7.23 -0.91 -4.93 120.40 111.64 1jwm s VAL 147 Ca -0.15 -2.09 0.07 0.00 -1.81 0.00 0.00 61.98 58.00 1jwm s VAL 147 Cb -0.09 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 1jwm s VAL 147 CO -0.01 -0.35 -0.21 -1.10 -0.31 0.00 0.00 175.10 173.13 1jwm s GLN 148 N -3.47 1.52 0.05 4.82 -0.21 -1.26 -1.56 119.66 119.55 1jwm s GLN 148 Ca 0.30 -0.87 0.04 0.00 0.02 0.00 0.00 55.36 54.84 1jwm s GLN 148 Cb -0.06 -1.57 -0.02 0.00 1.00 0.00 0.00 33.01 32.35 1jwm s GLN 148 CO 0.17 0.41 -0.11 -0.08 -2.12 0.00 0.00 175.29 173.56 1jwm s THR 149 N -0.68 0.86 -1.04 -0.19 -1.32 -0.84 -4.93 115.64 107.50 1jwm s THR 149 Ca 0.08 -1.11 0.14 0.00 -1.21 0.00 0.00 61.69 59.59 1jwm s THR 149 Cb -0.09 -0.85 0.62 0.00 -1.51 0.00 0.00 72.50 70.68 1jwm s THR 149 CO 0.01 -0.23 1.50 -0.90 -2.21 0.00 0.00 174.62 172.79 1jwm n ASP 150 N 1.54 4.25 -4.32 8.08 5.75 -1.26 -0.59 116.55 130.01 1jwm n ASP 150 Ca -0.21 -2.46 -0.31 0.00 -0.01 0.00 0.00 54.79 51.80 1jwm n ASP 150 Cb 0.55 -0.56 -0.16 0.00 -1.03 0.00 0.00 41.12 39.92 1jwm n ASP 150 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1jwm s LYS 151 N -1.94 2.27 -0.03 0.11 1.02 -1.26 -4.23 119.74 115.68 1jwm s LYS 151 Ca 0.43 -0.90 -0.25 0.00 0.02 0.00 0.00 55.97 55.27 1jwm s LYS 151 Cb 0.29 -2.11 -0.21 0.00 -0.52 0.00 0.00 37.83 35.28 1jwm s LYS 151 CO 0.19 0.52 1.17 0.87 -0.92 0.00 0.00 175.35 177.18 1jwm h LYS 152 N 5.62 0.08 -4.73 1.68 1.57 -1.69 -3.40 116.57 115.71 1jwm h LYS 152 Ca -0.41 -0.05 -0.69 0.00 -1.87 0.00 0.00 60.65 57.63 1jwm h LYS 152 Cb 1.14 0.01 -0.26 0.00 0.08 0.00 0.00 32.23 33.20 1jwm h LYS 152 CO 0.47 0.66 -0.58 0.45 -0.57 0.00 0.00 179.45 179.88 1jwm s SER 153 N -5.92 5.38 0.12 0.86 0.15 -1.26 -0.40 113.70 112.62 1jwm s SER 153 Ca -0.16 -0.82 0.10 0.00 0.70 0.00 0.00 55.95 55.77 1jwm s SER 153 Cb 0.01 -1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 62.35 1jwm s SER 153 CO 0.70 -0.26 -0.25 0.54 1.20 0.00 0.00 173.24 175.17 1jwm s VAL 154 N 1.51 2.08 0.31 4.45 0.11 -0.69 -4.91 120.40 123.26 1jwm s VAL 154 Ca 0.02 -1.69 -0.29 0.00 -2.93 0.00 0.00 61.98 57.09 1jwm s VAL 154 Cb -0.18 -1.85 -0.10 0.00 -1.53 0.00 0.00 36.38 32.72 1jwm s VAL 154 CO 0.04 0.04 1.25 0.42 -3.33 0.00 0.00 175.10 173.52 1jwm s THR 155 N -1.09 2.96 0.29 5.04 -4.23 -1.26 -0.90 115.64 116.44 1jwm s THR 155 Ca 0.11 0.96 0.03 0.00 -1.18 0.00 0.00 61.69 61.61 1jwm s THR 155 Cb -0.10 -3.61 0.29 0.00 1.34 0.00 0.00 72.50 70.42 1jwm s THR 155 CO 0.05 0.23 1.82 0.00 -0.54 0.00 0.00 174.62 176.18 1jwm h ALA 156 N 3.57 1.57 -0.33 3.99 0.00 -0.79 -1.81 119.26 125.46 1jwm h ALA 156 Ca -0.48 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.53 1jwm h ALA 156 Cb 1.22 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 1jwm h ALA 156 CO 0.66 0.15 -0.36 0.37 0.00 0.00 0.00 179.25 180.08 1jwm h GLN 157 N 0.93 -0.31 -0.51 0.00 4.15 -1.90 0.15 115.11 117.63 1jwm h GLN 157 Ca 0.52 0.02 0.10 0.00 0.77 0.00 0.00 58.65 60.06 1jwm h GLN 157 Cb 0.60 0.07 -0.10 0.00 0.21 0.00 0.00 27.48 28.25 1jwm h GLN 157 CO -0.29 -0.21 -0.21 1.49 -1.93 0.00 0.00 178.83 177.68 1jwm h GLU 158 N -0.32 -0.09 -0.41 1.69 4.81 -1.59 0.20 114.58 118.87 1jwm h GLU 158 Ca 0.14 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1jwm h GLU 158 Cb 0.56 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1jwm h GLU 158 CO -0.50 -0.06 -0.03 -0.07 -0.73 0.00 0.00 179.01 177.62 1jwm h LEU 159 N -0.09 0.64 0.17 1.64 3.38 -1.37 -1.72 115.31 117.96 1jwm h LEU 159 Ca 0.24 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1jwm h LEU 159 Cb 0.46 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1jwm h LEU 159 CO -0.57 0.73 -0.08 -0.78 0.09 0.00 0.00 178.44 177.83 1jwm h ASP 160 N 0.63 -0.19 -0.20 -0.43 -0.00 0.17 0.34 116.42 116.74 1jwm h ASP 160 Ca 0.12 -0.05 0.06 0.00 -0.00 0.00 0.00 57.03 57.16 1jwm h ASP 160 Cb 0.43 0.05 -0.07 0.00 -0.00 0.00 0.00 39.33 39.74 1jwm h ASP 160 CO 0.02 -0.07 -0.32 0.40 -0.00 0.00 0.00 179.24 179.27 1jwm h ILE 161 N -0.29 0.28 -0.80 2.25 5.03 -0.49 -0.21 117.51 123.29 1jwm h ILE 161 Ca -0.02 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.78 1jwm h ILE 161 Cb 0.23 0.28 -0.06 0.00 -3.03 0.00 0.00 36.82 34.24 1jwm h ILE 161 CO 0.04 0.00 0.48 0.11 -0.68 0.00 0.00 178.15 178.09 1jwm h LYS 162 N -0.35 0.83 0.53 2.37 1.57 -1.00 0.31 116.57 120.83 1jwm h LYS 162 Ca 0.12 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1jwm h LYS 162 Cb 0.54 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.66 1jwm h LYS 162 CO -0.40 0.55 -0.25 0.00 -0.57 0.00 0.00 179.45 178.78 1jwm h ALA 163 N 1.40 -0.71 -0.72 3.86 0.00 0.56 -2.63 119.26 121.01 1jwm h ALA 163 Ca 0.36 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1jwm h ALA 163 Cb 0.21 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1jwm h ALA 163 CO -0.19 -0.88 0.44 0.00 0.00 0.00 0.00 179.25 178.62 1jwm h ARG 164 N -0.75 0.97 -0.41 0.00 3.08 -0.68 -2.01 114.38 114.59 1jwm h ARG 164 Ca -0.07 -0.08 0.08 0.00 0.07 0.00 0.00 59.98 59.98 1jwm h ARG 164 Cb 0.56 -0.21 -0.08 0.00 0.08 0.00 0.00 29.97 30.33 1jwm h ARG 164 CO 0.12 0.68 -0.09 -0.97 -1.07 0.00 0.00 179.97 178.64 1jwm h ASN 165 N 0.98 -0.35 0.32 7.04 -1.24 -0.33 0.56 115.58 122.56 1jwm h ASN 165 Ca 0.26 0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.38 1jwm h ASN 165 Cb -0.05 0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 1jwm h ASN 165 CO -0.05 -0.12 -0.20 0.15 -1.29 0.00 0.00 177.43 175.91 1jwm h PHE 166 N 0.02 -0.53 -0.03 0.67 3.57 -1.11 -2.54 116.94 116.98 1jwm h PHE 166 Ca 0.20 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1jwm h PHE 166 Cb 0.30 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1jwm h PHE 166 CO -0.35 -0.31 0.04 -0.07 -2.23 0.00 0.00 178.31 175.39 1jwm h LEU 167 N -0.50 0.00 -0.28 0.59 3.38 -0.70 -0.61 115.31 117.19 1jwm h LEU 167 Ca -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1jwm h LEU 167 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1jwm h LEU 167 CO 0.03 0.00 -0.09 0.40 0.09 0.00 0.00 178.44 178.87 1jwm h ILE 168 N 0.00 1.29 0.04 1.22 2.04 -0.48 0.14 117.51 121.76 1jwm h ILE 168 Ca 0.01 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 1jwm h ILE 168 Cb 0.10 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1jwm h ILE 168 CO -0.00 0.36 -0.02 0.78 0.00 0.00 0.00 178.15 179.27 1jwm h ASN 169 N 0.31 -0.04 1.77 1.72 2.35 -1.14 -1.83 115.58 118.71 1jwm h ASN 169 Ca 0.07 -0.60 -0.03 0.00 -0.55 0.00 0.00 56.30 55.20 1jwm h ASN 169 Cb 0.58 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 1jwm h ASN 169 CO 0.03 0.61 -0.12 0.11 -1.65 0.00 0.00 177.43 176.40 1jwm h LYS 170 N -0.73 0.00 0.00 0.81 1.79 -1.24 -3.37 116.57 113.83 1jwm h LYS 170 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1jwm h LYS 170 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1jwm h LYS 170 CO 0.01 0.12 -0.07 1.63 -1.08 0.00 0.00 179.45 180.06 1jwm n LYS 171 N -3.14 0.69 -4.00 3.15 4.76 0.43 -5.01 118.16 115.03 1jwm n LYS 171 Ca 0.03 -0.89 -0.31 0.00 -2.87 0.00 0.00 58.31 54.27 1jwm n LYS 171 Cb 0.56 -0.66 0.01 0.00 -1.84 0.00 0.00 35.03 33.09 1jwm n LYS 171 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jwm n ASN 172 N -0.18 -3.61 -0.34 4.39 3.02 -0.69 -4.82 115.26 113.03 1jwm n ASN 172 Ca 0.01 -0.88 0.08 0.00 -0.03 0.00 0.00 54.58 53.76 1jwm n ASN 172 Cb 0.48 -3.46 0.19 0.00 -0.61 0.00 0.00 39.78 36.38 1jwm n ASN 172 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1jwm h LEU 173 N -1.86 -0.75 -8.29 3.41 5.85 -1.50 -3.40 115.31 108.77 1jwm h LEU 173 Ca -0.59 0.28 -0.40 0.00 0.84 0.00 0.00 57.88 58.01 1jwm h LEU 173 Cb 1.38 0.56 -0.24 0.00 0.37 0.00 0.00 40.66 42.73 1jwm h LEU 173 CO 0.69 -0.33 -0.78 -0.31 -0.34 0.00 0.00 178.44 177.38 1jwm s TYR 174 N -6.17 1.09 0.25 1.25 1.51 -1.26 -4.46 117.35 109.55 1jwm s TYR 174 Ca -0.14 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 1jwm s TYR 174 Cb 0.27 -0.64 -0.05 0.00 -0.11 0.00 0.00 41.96 41.43 1jwm s TYR 174 CO 0.78 0.02 0.10 -1.21 -1.11 0.00 0.00 175.55 174.12 1jwm s GLU 175 N -1.27 1.36 0.07 -0.62 2.02 -1.08 -4.93 118.70 114.25 1jwm s GLU 175 Ca -0.01 -1.73 -0.13 0.00 0.02 0.00 0.00 54.97 53.12 1jwm s GLU 175 Cb -0.08 -0.19 -0.03 0.00 0.10 0.00 0.00 34.13 33.93 1jwm s GLU 175 CO 0.01 -0.30 1.04 0.34 0.02 0.00 0.00 175.26 176.37 1jwm n PHE 176 N -0.42 -0.18 -4.28 1.61 7.35 -1.26 -2.80 117.46 117.47 1jwm n PHE 176 Ca -0.00 0.52 -0.33 0.00 -0.76 0.00 0.00 57.45 56.89 1jwm n PHE 176 Cb 0.66 -0.49 -0.16 0.00 0.35 0.00 0.00 39.48 39.84 1jwm n PHE 176 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1jwm s ASN 177 N -4.24 3.09 0.19 -2.13 4.22 -1.26 0.25 114.94 115.07 1jwm s ASN 177 Ca -0.05 -0.63 0.00 0.00 -2.14 0.00 0.00 52.86 50.04 1jwm s ASN 177 Cb 0.05 -1.45 0.00 0.00 1.28 0.00 0.00 41.25 41.13 1jwm s ASN 177 CO 0.26 0.02 0.00 -0.24 -2.04 0.00 0.00 177.10 175.10 1jwm n SER 178 N 4.46 -4.70 -4.03 3.54 2.88 -1.26 -4.82 113.62 109.68 1jwm n SER 178 Ca -0.20 0.35 -0.09 0.00 -1.33 0.00 0.00 58.87 57.59 1jwm n SER 178 Cb 0.50 -2.41 -0.11 0.00 -0.75 0.00 0.00 64.21 61.44 1jwm n SER 178 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1jwm s SER 179 N -5.01 0.43 0.38 -3.46 0.15 -1.26 -2.63 113.70 102.30 1jwm s SER 179 Ca 0.00 -0.69 0.06 0.00 0.70 0.00 0.00 55.95 56.02 1jwm s SER 179 Cb 0.00 0.12 0.76 0.00 -1.71 0.00 0.00 66.02 65.19 1jwm s SER 179 CO 0.00 -0.39 2.00 -0.65 1.20 0.00 0.00 173.24 175.40 1jwm h PRO 180 N 4.08 0.69 -6.18 5.44 0.11 -1.78 -3.42 132.00 130.94 1jwm h PRO 180 Ca -0.33 -0.04 -0.58 0.00 0.11 0.00 0.00 66.00 65.16 1jwm h PRO 180 Cb 1.19 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1jwm h PRO 180 CO 0.50 0.46 -0.26 0.71 -0.21 0.00 0.00 178.00 179.19 1jwm s TYR 181 N -5.62 3.51 -0.14 0.65 1.51 -1.26 -4.49 117.35 111.51 1jwm s TYR 181 Ca -0.09 0.68 -0.25 0.00 -1.01 0.00 0.00 57.07 56.40 1jwm s TYR 181 Cb 0.18 -2.09 -0.22 0.00 -0.11 0.00 0.00 41.96 39.72 1jwm s TYR 181 CO 0.76 0.44 0.63 1.49 -1.11 0.00 0.00 175.55 177.76 1jwm h GLU 182 N 3.11 0.00 -5.04 -0.62 4.57 0.05 -3.42 114.58 113.24 1jwm h GLU 182 Ca -0.47 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.34 1jwm h GLU 182 Cb 1.18 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.62 1jwm h GLU 182 CO 0.70 0.87 -0.66 0.95 -1.18 0.00 0.00 179.01 179.70 1jwm s THR 183 N -2.15 0.96 -0.28 0.32 -4.23 -1.12 0.43 115.64 109.58 1jwm s THR 183 Ca -0.17 -2.02 -0.26 0.00 -1.18 0.00 0.00 61.69 58.05 1jwm s THR 183 Cb -0.02 -2.33 0.16 0.00 1.34 0.00 0.00 72.50 71.66 1jwm s THR 183 CO 0.60 -0.33 1.27 -0.83 -0.54 0.00 0.00 174.62 174.79 1jwm s GLY 184 N -3.29 0.11 -0.10 3.99 0.00 -1.26 -1.90 107.32 104.88 1jwm s GLY 184 Ca 0.28 3.04 -0.13 0.00 0.00 0.00 0.00 44.72 47.91 1jwm s GLY 184 CO 0.08 1.71 0.35 -2.52 0.00 0.00 0.00 173.10 172.73 1jwm s TYR 185 N -0.16 -0.34 -0.19 1.90 -0.85 -0.82 -0.12 117.35 116.77 1jwm s TYR 185 Ca 0.05 0.76 -0.08 0.00 -0.52 0.00 0.00 57.07 57.28 1jwm s TYR 185 Cb -0.04 0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.38 1jwm s TYR 185 CO -0.10 -0.25 0.09 -1.50 -1.52 0.00 0.00 175.55 172.26 1jwm s ILE 186 N -0.27 5.02 -0.07 -3.49 2.07 -0.59 -0.88 121.20 122.99 1jwm s ILE 186 Ca -0.04 0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.28 1jwm s ILE 186 Cb -0.03 -3.28 -0.02 0.00 0.13 0.00 0.00 42.46 39.26 1jwm s ILE 186 CO 0.02 0.45 -0.17 -0.75 -1.91 0.00 0.00 174.94 172.58 1jwm s LYS 187 N 0.35 2.76 -0.14 3.50 2.20 0.18 -0.67 119.74 127.92 1jwm s LYS 187 Ca 0.05 -0.75 -0.03 0.00 -0.36 0.00 0.00 55.97 54.88 1jwm s LYS 187 Cb -0.12 -2.39 -0.03 0.00 -1.51 0.00 0.00 37.83 33.78 1jwm s LYS 187 CO -0.01 0.45 -0.05 -0.06 -0.36 0.00 0.00 175.35 175.32 1jwm s PHE 188 N -0.28 3.00 -0.27 4.03 0.40 0.16 -0.99 117.98 124.03 1jwm s PHE 188 Ca 0.01 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1jwm s PHE 188 Cb -0.13 -1.91 0.06 0.00 0.51 0.00 0.00 43.02 41.55 1jwm s PHE 188 CO 0.03 0.01 -0.09 0.42 0.70 0.00 0.00 175.22 176.29 1jwm s ILE 189 N 0.18 2.33 0.50 0.64 1.09 0.72 -1.93 121.20 124.72 1jwm s ILE 189 Ca -0.02 -1.58 -0.11 0.00 -1.10 0.00 0.00 60.65 57.84 1jwm s ILE 189 Cb -0.14 -2.36 -0.06 0.00 -1.06 0.00 0.00 42.46 38.84 1jwm s ILE 189 CO 0.03 -0.04 0.89 -1.61 -0.10 0.00 0.00 174.94 174.11 1jwm s GLU 190 N 1.13 3.74 0.00 2.79 2.02 0.61 -0.82 118.70 128.17 1jwm s GLU 190 Ca -0.08 0.60 0.02 0.00 0.02 0.00 0.00 54.97 55.53 1jwm s GLU 190 Cb -0.20 -2.25 0.11 0.00 0.10 0.00 0.00 34.13 31.89 1jwm s GLU 190 CO -0.04 -0.25 0.69 0.27 0.02 0.00 0.00 175.26 175.95 1jwm n ASN 191 N -1.88 0.00 -0.94 -0.19 6.94 -1.26 -1.51 115.26 116.42 1jwm n ASN 191 Ca 0.04 0.05 0.04 0.00 -0.02 0.00 0.00 54.58 54.69 1jwm n ASN 191 Cb 0.54 -0.10 0.23 0.00 -2.36 0.00 0.00 39.78 38.10 1jwm n ASN 191 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1jwm n ASN 192 N -1.10 3.34 -0.01 0.53 0.23 -1.26 -4.93 115.26 112.07 1jwm n ASN 192 Ca 0.01 -3.27 -0.00 0.00 -0.53 0.00 0.00 54.58 50.79 1jwm n ASN 192 Cb 0.01 -0.57 -0.00 0.00 -2.08 0.00 0.00 39.78 37.14 1jwm n ASN 192 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jwm n GLY 193 N -0.78 0.29 3.75 4.83 0.00 -0.57 -4.99 105.19 107.73 1jwm n GLY 193 Ca 0.25 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1jwm n GLY 193 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jwm s ASN 194 N -2.01 6.61 0.19 1.61 2.47 -1.25 -4.82 114.94 117.74 1jwm s ASN 194 Ca 0.00 0.72 0.05 0.00 0.42 0.00 0.00 52.86 54.05 1jwm s ASN 194 Cb 0.00 -2.23 -0.05 0.00 -1.45 0.00 0.00 41.25 37.52 1jwm s ASN 194 CO 0.00 0.12 -0.09 0.42 -3.72 0.00 0.00 177.10 173.83 1jwm s THR 195 N 0.15 1.32 -0.03 -5.21 -4.23 -1.26 -0.29 115.64 106.10 1jwm s THR 195 Ca 0.21 -2.10 -0.29 0.00 -1.18 0.00 0.00 61.69 58.34 1jwm s THR 195 Cb -0.15 -2.06 0.10 0.00 1.34 0.00 0.00 72.50 71.73 1jwm s THR 195 CO 0.08 -0.57 0.87 0.72 -0.54 0.00 0.00 174.62 175.17 1jwm s PHE 196 N -3.23 -0.40 0.08 3.99 -0.12 -0.81 -1.90 117.98 115.58 1jwm s PHE 196 Ca 0.22 0.41 -0.06 0.00 -0.05 0.00 0.00 56.93 57.45 1jwm s PHE 196 Cb 0.03 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.91 1jwm s PHE 196 CO 0.05 -0.53 0.12 1.67 -0.05 0.00 0.00 175.22 176.47 1jwm s TRP 197 N -2.53 0.29 0.01 3.49 1.48 -1.26 0.39 118.94 120.80 1jwm s TRP 197 Ca 0.02 -0.76 0.07 0.00 -1.06 0.00 0.00 56.10 54.37 1jwm s TRP 197 Cb -0.01 -0.18 -0.02 0.00 -1.16 0.00 0.00 33.47 32.11 1jwm s TRP 197 CO -0.05 -0.49 -0.22 0.71 -4.06 0.00 0.00 176.95 172.83 1jwm s TYR 198 N -3.89 1.98 -0.23 1.66 4.12 0.16 -4.94 117.35 116.21 1jwm s TYR 198 Ca 0.06 -0.38 -0.29 0.00 0.02 0.00 0.00 57.07 56.48 1jwm s TYR 198 Cb 0.06 -1.24 0.00 0.00 -1.52 0.00 0.00 41.96 39.26 1jwm s TYR 198 CO -0.10 0.02 1.12 0.34 0.02 0.00 0.00 175.55 176.94 1jwm s ASP 199 N -0.77 7.01 0.00 2.29 -1.08 -1.26 -1.55 116.67 121.31 1jwm s ASP 199 Ca 0.09 1.41 0.31 0.00 -0.52 0.00 0.00 52.55 53.84 1jwm s ASP 199 Cb -0.09 -2.54 1.77 0.00 -1.46 0.00 0.00 42.92 40.60 1jwm s ASP 199 CO 0.00 -0.74 2.15 0.23 0.52 0.00 0.00 175.17 177.33 1jwm n MET 200 N 6.52 1.03 -4.46 4.34 2.81 0.82 -4.85 117.12 123.35 1jwm n MET 200 Ca 0.13 -0.12 -0.32 0.00 -1.81 0.00 0.00 57.70 55.58 1jwm n MET 200 Cb 0.46 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.37 1jwm n MET 200 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1jwm s MET 201 N -2.05 2.56 0.62 0.03 -1.94 -1.25 -4.95 119.30 112.32 1jwm s MET 201 Ca 0.45 -0.72 -0.18 0.00 -1.71 0.00 0.00 55.69 53.53 1jwm s MET 201 Cb 0.22 -2.51 -0.02 0.00 2.01 0.00 0.00 34.83 34.53 1jwm s MET 201 CO 0.37 0.60 1.21 -1.25 -0.01 0.00 0.00 175.02 175.95 1jwm s PRO 202 N -1.41 2.80 0.84 2.03 0.04 -1.26 -4.78 135.00 133.25 1jwm s PRO 202 Ca 0.17 1.81 -0.11 0.00 0.04 0.00 0.00 61.00 62.91 1jwm s PRO 202 Cb -0.11 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.62 1jwm s PRO 202 CO 0.07 -1.34 1.10 0.00 0.04 0.00 0.00 177.00 176.88 1jwm s ALA 203 N -1.69 1.86 1.04 8.56 0.00 -1.26 -4.67 121.76 125.61 1jwm s ALA 203 Ca 0.77 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 1jwm s ALA 203 Cb -0.30 -3.29 0.22 0.00 0.00 0.00 0.00 23.12 19.75 1jwm s ALA 203 CO 0.36 -2.16 1.09 -1.25 0.00 0.00 0.00 175.76 173.80 1jwm s PRO 204 N -4.85 -0.00 0.00 0.00 0.04 -1.26 -4.74 135.00 124.18 1jwm s PRO 204 Ca 0.63 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1jwm s PRO 204 Cb -0.19 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1jwm s PRO 204 CO 0.57 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.79 1jwm n GLY 205 N 0.58 -0.23 0.22 0.56 0.00 -0.78 -4.81 105.19 100.73 1jwm n GLY 205 Ca 0.08 -2.27 0.11 0.00 0.00 0.00 0.00 46.02 43.94 1jwm n GLY 205 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jwm n ASP 206 N 0.00 1.40 -4.29 1.61 5.68 -1.26 -0.51 116.55 119.17 1jwm n ASP 206 Ca 0.00 -1.16 -0.24 0.00 -0.50 0.00 0.00 54.79 52.89 1jwm n ASP 206 Cb 0.00 0.68 -0.13 0.00 -1.14 0.00 0.00 41.12 40.53 1jwm n ASP 206 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1jwm s LYS 207 N -2.75 1.15 -0.25 0.11 1.02 -1.26 -3.27 119.74 114.49 1jwm s LYS 207 Ca 0.14 -1.17 0.01 0.00 0.02 0.00 0.00 55.97 54.96 1jwm s LYS 207 Cb 0.17 -1.43 0.04 0.00 -0.52 0.00 0.00 37.83 36.10 1jwm s LYS 207 CO 0.71 0.33 -0.10 0.12 -0.92 0.00 0.00 175.35 175.49 1jwm s PHE 208 N -1.15 3.13 -0.79 3.18 5.36 -1.26 -4.90 117.98 121.54 1jwm s PHE 208 Ca 0.07 -1.97 -0.22 0.00 -0.96 0.00 0.00 56.93 53.85 1jwm s PHE 208 Cb -0.10 -1.98 0.08 0.00 -0.34 0.00 0.00 43.02 40.69 1jwm s PHE 208 CO 0.04 -0.82 1.09 0.34 -1.46 0.00 0.00 175.22 174.41 1jwm s ASP 209 N 1.21 6.35 0.30 6.13 -1.08 -1.26 -4.89 116.67 123.42 1jwm s ASP 209 Ca -0.04 -1.33 -0.02 0.00 -0.52 0.00 0.00 52.55 50.64 1jwm s ASP 209 Cb -0.18 -2.44 0.46 0.00 -1.46 0.00 0.00 42.92 39.30 1jwm s ASP 209 CO -0.06 -1.36 1.97 1.56 0.52 0.00 0.00 175.17 177.80 1jwm h GLN 210 N 9.39 1.07 -0.26 4.34 4.20 -1.92 0.23 115.11 132.16 1jwm h GLN 210 Ca -0.10 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 1jwm h GLN 210 Cb 1.05 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1jwm h GLN 210 CO 1.19 0.71 0.07 1.03 -0.67 0.00 0.00 178.83 181.16 1jwm h SER 211 N 1.10 0.38 -0.59 1.46 0.87 -1.90 -0.73 113.55 114.14 1jwm h SER 211 Ca 0.31 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 1jwm h SER 211 Cb -0.10 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1jwm h SER 211 CO -0.07 0.50 0.04 0.11 -0.53 0.00 0.00 176.83 176.88 1jwm h LYS 212 N 0.25 1.01 0.20 2.24 1.57 -1.89 -2.06 116.57 117.87 1jwm h LYS 212 Ca 0.08 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1jwm h LYS 212 Cb 0.26 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1jwm h LYS 212 CO -0.00 0.98 -0.09 -0.92 -0.57 0.00 0.00 179.45 178.84 1jwm h TYR 213 N 0.90 -0.24 0.00 -1.35 3.20 -0.78 -2.81 116.97 115.89 1jwm h TYR 213 Ca 0.17 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1jwm h TYR 213 Cb 0.50 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1jwm h TYR 213 CO 0.04 -0.05 0.00 -0.07 -1.64 0.00 0.00 178.16 176.44 1jwm h LEU 214 N -0.39 0.00 -2.13 2.82 3.38 -1.12 -3.13 115.31 114.73 1jwm h LEU 214 Ca -0.03 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1jwm h LEU 214 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1jwm h LEU 214 CO 0.04 0.00 0.26 -0.03 0.09 0.00 0.00 178.44 178.80 1jwm h MET 215 N 0.00 0.00 -0.11 1.13 4.05 -1.09 -1.99 114.93 116.92 1jwm h MET 215 Ca 0.00 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1jwm h MET 215 Cb 0.31 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1jwm h MET 215 CO 0.00 0.00 0.17 0.00 0.23 0.00 0.00 176.91 177.31 1jwm h MET 216 N 0.00 0.00 -0.50 0.39 -0.00 -1.72 0.13 114.93 113.24 1jwm h MET 216 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.83 1jwm h MET 216 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.24 1jwm h MET 216 CO -0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.91 177.57 1jwm n TYR 217 N -3.53 0.00 -0.13 -0.10 0.53 -0.75 -3.99 117.16 109.19 1jwm n TYR 217 Ca -0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.80 1jwm n TYR 217 Cb 0.27 -0.05 0.00 0.00 -1.03 0.00 0.00 39.34 38.53 1jwm n TYR 217 CO 0.00 0.00 0.00 -0.97 -1.02 0.00 0.00 176.86 174.87 1jwm h ASN 218 N 0.06 0.48 0.10 7.72 -0.00 -0.95 -2.83 115.58 120.16 1jwm h ASN 218 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.29 1jwm h ASN 218 Cb 0.25 -0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.45 1jwm h ASN 218 CO 0.00 0.35 0.00 -0.90 -0.00 0.00 0.00 177.43 176.88 1jwm n ASP 219 N -4.79 0.00 -2.69 1.15 5.68 -1.26 -2.10 116.55 112.54 1jwm n ASP 219 Ca 0.01 0.46 -0.17 0.00 -0.50 0.00 0.00 54.79 54.58 1jwm n ASP 219 Cb 0.02 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 1jwm n ASP 219 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1jwm n ASN 220 N -1.46 -4.60 -4.68 -1.12 5.15 -1.08 -4.82 115.26 102.64 1jwm n ASN 220 Ca 0.01 -0.03 -0.48 0.00 -0.60 0.00 0.00 54.58 53.48 1jwm n ASN 220 Cb 0.03 -3.84 -0.05 0.00 -0.53 0.00 0.00 39.78 35.40 1jwm n ASN 220 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1jwm n LYS 221 N -3.20 2.13 -4.25 1.20 0.00 -1.26 -4.87 118.16 107.90 1jwm n LYS 221 Ca -0.14 0.78 -0.27 0.00 0.00 0.00 0.00 58.31 58.69 1jwm n LYS 221 Cb 0.61 -2.60 -0.08 0.00 0.00 0.00 0.00 35.03 32.96 1jwm n LYS 221 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1jwm s THR 222 N 3.34 3.47 0.09 3.15 -4.23 -1.26 -0.04 115.64 120.16 1jwm s THR 222 Ca 0.90 -1.54 -0.03 0.00 -1.18 0.00 0.00 61.69 59.84 1jwm s THR 222 Cb -0.70 -2.74 -0.03 0.00 1.34 0.00 0.00 72.50 70.37 1jwm s THR 222 CO 0.49 -0.12 0.06 0.68 -0.54 0.00 0.00 174.62 175.19 1jwm s VAL 223 N -1.73 0.15 -0.38 2.29 -7.23 -0.08 -4.85 120.40 108.57 1jwm s VAL 223 Ca 0.26 -1.72 -0.28 0.00 -1.81 0.00 0.00 61.98 58.43 1jwm s VAL 223 Cb -0.09 -1.71 0.02 0.00 0.56 0.00 0.00 36.38 35.16 1jwm s VAL 223 CO 0.17 -0.70 1.06 -0.62 -0.31 0.00 0.00 175.10 174.70 1jwm s ASP 224 N -2.96 6.78 0.44 4.85 2.15 -1.26 -1.70 116.67 124.97 1jwm s ASP 224 Ca 0.14 0.76 0.10 0.00 0.43 0.00 0.00 52.55 53.97 1jwm s ASP 224 Cb 0.07 -2.53 0.97 0.00 -0.30 0.00 0.00 42.92 41.14 1jwm s ASP 224 CO -0.05 -0.99 2.08 0.77 -0.17 0.00 0.00 175.17 176.81 1jwm h SER 225 N 8.53 0.34 1.13 -0.34 4.64 -0.96 -0.33 113.55 126.56 1jwm h SER 225 Ca -0.22 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1jwm h SER 225 Cb 1.06 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1jwm h SER 225 CO 1.05 0.25 0.00 2.29 -0.87 0.00 0.00 176.83 179.55 1jwm n LYS 226 N -4.49 0.17 0.00 4.77 2.85 -1.26 -4.18 118.16 116.02 1jwm n LYS 226 Ca 0.02 0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.49 1jwm n LYS 226 Cb 0.08 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.73 1jwm n LYS 226 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1jwm n SER 227 N -2.02 3.75 -4.65 -5.58 3.41 -1.02 -5.07 113.62 102.43 1jwm n SER 227 Ca 0.05 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.28 1jwm n SER 227 Cb 0.35 0.71 0.05 0.00 -0.26 0.00 0.00 64.21 65.06 1jwm n SER 227 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1jwm n VAL 228 N -1.18 3.70 -4.91 -3.33 3.14 -0.16 -4.48 118.33 111.11 1jwm n VAL 228 Ca 0.00 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.61 1jwm n VAL 228 Cb 0.04 -1.30 -0.16 0.00 -1.06 0.00 0.00 33.84 31.36 1jwm n VAL 228 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1jwm s LYS 229 N -2.75 2.05 -0.08 1.45 -0.14 0.00 -4.50 119.74 115.76 1jwm s LYS 229 Ca 0.74 -0.66 0.03 0.00 -1.36 0.00 0.00 55.97 54.72 1jwm s LYS 229 Cb -0.43 -1.72 -0.02 0.00 -1.68 0.00 0.00 37.83 33.99 1jwm s LYS 229 CO 0.48 0.22 -0.18 0.42 -0.76 0.00 0.00 175.35 175.53 1jwm s ILE 230 N 0.14 2.67 -0.10 2.17 1.01 -0.49 -0.20 121.20 126.40 1jwm s ILE 230 Ca -0.07 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1jwm s ILE 230 Cb -0.13 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.31 1jwm s ILE 230 CO 0.03 0.56 -0.10 -1.61 0.00 0.00 0.00 174.94 173.83 1jwm s GLU 231 N -0.13 1.67 -0.33 2.79 2.02 -0.16 -1.12 118.70 123.44 1jwm s GLU 231 Ca -0.03 -0.35 -0.08 0.00 0.02 0.00 0.00 54.97 54.54 1jwm s GLU 231 Cb -0.14 -1.57 0.02 0.00 0.10 0.00 0.00 34.13 32.54 1jwm s GLU 231 CO 0.04 -0.15 0.13 0.08 0.02 0.00 0.00 175.26 175.38 1jwm s VAL 232 N 1.28 4.19 -0.41 2.63 1.01 -0.64 0.50 120.40 128.96 1jwm s VAL 232 Ca -0.03 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 1jwm s VAL 232 Cb -0.14 -3.24 0.06 0.00 0.00 0.00 0.00 36.38 33.06 1jwm s VAL 232 CO -0.04 -0.05 0.27 -1.00 0.00 0.00 0.00 175.10 174.28 1jwm s HIS 233 N 1.51 3.28 0.34 5.22 3.76 -0.06 -0.48 115.29 128.86 1jwm s HIS 233 Ca 0.02 -1.17 0.08 0.00 -0.15 0.00 0.00 55.06 53.84 1jwm s HIS 233 Cb -0.18 -2.78 -0.03 0.00 1.11 0.00 0.00 32.58 30.70 1jwm s HIS 233 CO 0.04 -0.75 0.27 -0.51 -0.85 0.00 0.00 174.74 172.94 1jwm s LEU 234 N 1.52 3.54 -0.21 0.89 1.43 0.18 -1.95 118.68 124.10 1jwm s LEU 234 Ca 0.03 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 1jwm s LEU 234 Cb -0.22 -2.14 0.07 0.00 0.03 0.00 0.00 46.19 43.94 1jwm s LEU 234 CO 0.05 -0.36 0.49 0.42 0.23 0.00 0.00 176.35 177.19 1jwm s THR 235 N -2.33 -0.13 0.31 5.49 -4.23 -0.80 -1.23 115.64 112.73 1jwm s THR 235 Ca 0.41 0.08 -0.24 0.00 -1.18 0.00 0.00 61.69 60.76 1jwm s THR 235 Cb -0.05 -0.73 -0.10 0.00 1.34 0.00 0.00 72.50 72.96 1jwm s THR 235 CO 0.26 0.03 0.89 0.42 -0.54 0.00 0.00 174.62 175.68 1jwm s THR 236 N 1.66 4.33 0.33 3.99 -4.23 -1.26 0.74 115.64 121.20 1jwm s THR 236 Ca -0.09 1.63 0.24 0.00 -1.18 0.00 0.00 61.69 62.29 1jwm s THR 236 Cb -0.08 -3.92 0.37 0.00 1.34 0.00 0.00 72.50 70.21 1jwm s THR 236 CO -0.15 0.09 1.19 1.17 -0.54 0.00 0.00 174.62 176.39 1jwm n LYS 237 N 0.43 -0.03 0.00 3.99 4.81 -1.26 -3.36 118.16 122.74 1jwm n LYS 237 Ca 0.02 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 1jwm n LYS 237 Cb 0.51 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.68 1jwm n LYS 237 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1jwm n ASN 238 N -4.26 1.02 0.00 3.14 0.23 -1.26 -5.03 115.26 109.10 1jwm n ASN 238 Ca 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.36 1jwm n ASN 238 Cb 1.17 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.87 1jwm n ASN 238 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94