#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jws s SER 2 N 0.00 4.83 -0.07 1.62 1.04 -1.26 -5.02 113.70 114.84 1jws s SER 2 Ca 0.00 0.64 -0.28 0.00 0.48 0.00 0.00 55.95 56.79 1jws s SER 2 Cb 0.00 -1.28 -0.02 0.00 0.10 0.00 0.00 66.02 64.81 1jws s SER 2 CO 0.00 -1.63 0.91 -1.58 0.98 0.00 0.00 173.24 171.92 1jws s GLN 3 N -5.34 4.45 0.25 4.02 0.74 -0.78 -4.96 119.66 118.04 1jws s GLN 3 Ca 0.60 1.24 -0.31 0.00 0.05 0.00 0.00 55.36 56.95 1jws s GLN 3 Cb -0.11 -3.50 -0.13 0.00 1.10 0.00 0.00 33.01 30.37 1jws s GLN 3 CO 0.47 -0.16 1.42 -2.30 -0.55 0.00 0.00 175.29 174.18 1jws n PRO 4 N 4.44 2.13 -1.18 1.67 -0.02 -1.26 -4.57 135.00 136.20 1jws n PRO 4 Ca 0.05 0.76 -0.35 0.00 -2.02 0.00 0.00 63.50 61.94 1jws n PRO 4 Cb 0.50 -2.43 0.10 0.00 -0.02 0.00 0.00 33.50 31.65 1jws n PRO 4 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1jws n ASP 5 N 2.06 -0.11 -4.85 2.55 10.43 -1.26 -4.93 116.55 120.44 1jws n ASP 5 Ca 0.11 0.58 -0.32 0.00 2.57 0.00 0.00 54.79 57.73 1jws n ASP 5 Cb 0.32 -1.36 -0.04 0.00 1.84 0.00 0.00 41.12 41.88 1jws n ASP 5 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1jws s PRO 6 N -3.46 3.96 0.35 -0.24 0.04 -1.26 -5.08 135.00 129.31 1jws s PRO 6 Ca 0.69 0.87 0.07 0.00 0.04 0.00 0.00 61.00 62.67 1jws s PRO 6 Cb -0.31 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 1jws s PRO 6 CO 0.55 -0.17 0.40 -1.64 0.04 0.00 0.00 177.00 176.17 1jws s MET 7 N -3.86 2.90 0.25 4.56 -1.94 -1.26 -4.98 119.30 114.97 1jws s MET 7 Ca 0.58 -1.18 -0.04 0.00 -1.71 0.00 0.00 55.69 53.34 1jws s MET 7 Cb -0.10 -2.65 0.41 0.00 2.01 0.00 0.00 34.83 34.50 1jws s MET 7 CO 0.28 0.04 1.80 -1.35 -0.01 0.00 0.00 175.02 175.78 1jws h PRO 8 N 1.03 0.73 0.00 2.03 0.11 -1.98 -0.09 132.00 133.83 1jws h PRO 8 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1jws h PRO 8 Cb 1.26 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1jws h PRO 8 CO 0.55 0.49 -0.02 -0.44 -0.21 0.00 0.00 178.00 178.36 1jws h ASP 9 N 0.76 0.00 0.68 -2.05 5.19 -2.02 -1.62 116.42 117.35 1jws h ASP 9 Ca 0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.81 1jws h ASP 9 Cb 0.40 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1jws h ASP 9 CO -0.26 0.02 -0.07 0.47 -3.12 0.00 0.00 179.24 176.29 1jws n ASP 10 N -3.62 0.13 -4.65 6.45 10.43 -0.05 -4.87 116.55 120.38 1jws n ASP 10 Ca -0.03 -0.01 -0.35 0.00 2.57 0.00 0.00 54.79 56.98 1jws n ASP 10 Cb 0.12 -0.27 -0.10 0.00 1.84 0.00 0.00 41.12 42.70 1jws n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1jws s LEU 11 N -2.74 3.51 0.54 0.64 1.43 -0.61 -4.91 118.68 116.54 1jws s LEU 11 Ca 0.22 0.09 -0.21 0.00 -1.03 0.00 0.00 54.13 53.20 1jws s LEU 11 Cb 0.20 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 1jws s LEU 11 CO 0.51 0.34 1.26 -1.00 0.23 0.00 0.00 176.35 177.69 1jws s HIS 12 N -0.64 2.45 -0.16 0.29 3.76 -1.26 -5.01 115.29 114.71 1jws s HIS 12 Ca 0.10 1.46 -0.03 0.00 -0.15 0.00 0.00 55.06 56.45 1jws s HIS 12 Cb -0.12 -3.60 -0.02 0.00 1.11 0.00 0.00 32.58 29.95 1jws s HIS 12 CO 0.02 -2.36 -0.07 0.15 -0.85 0.00 0.00 174.74 171.63 1jws s LYS 13 N -3.00 3.53 0.50 1.40 3.01 -1.26 -4.47 119.74 119.45 1jws s LYS 13 Ca 0.72 -0.59 0.20 0.00 -1.01 0.00 0.00 55.97 55.29 1jws s LYS 13 Cb -0.34 -2.85 1.30 0.00 -1.01 0.00 0.00 37.83 34.92 1jws s LYS 13 CO 0.40 0.14 2.08 0.66 0.51 0.00 0.00 175.35 179.14 1jws h SER 14 N 6.99 0.00 1.18 2.83 4.64 -0.37 -1.33 113.55 127.49 1jws h SER 14 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1jws h SER 14 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1jws h SER 14 CO 0.60 0.11 0.00 0.77 -0.87 0.00 0.00 176.83 177.44 1jws h SER 15 N 0.00 0.00 -0.42 4.97 4.64 -1.90 -2.12 113.55 118.72 1jws h SER 15 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jws h SER 15 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1jws h SER 15 CO 0.01 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 1jws n GLU 16 N -3.04 2.00 -3.85 4.77 1.02 -0.50 -4.72 120.64 116.31 1jws n GLU 16 Ca 0.01 -1.55 -0.36 0.00 -0.02 0.00 0.00 57.16 55.25 1jws n GLU 16 Cb 0.34 -1.34 -0.13 0.00 -0.02 0.00 0.00 31.44 30.29 1jws n GLU 16 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1jws s PHE 17 N -1.44 3.34 -0.67 -0.32 5.36 -0.80 -1.30 117.98 122.15 1jws s PHE 17 Ca 0.29 -1.92 0.25 0.00 -0.96 0.00 0.00 56.93 54.59 1jws s PHE 17 Cb 0.15 -2.39 0.47 0.00 -0.34 0.00 0.00 43.02 40.91 1jws s PHE 17 CO 0.20 -0.83 1.44 2.41 -1.46 0.00 0.00 175.22 176.99 1jws n THR 18 N 4.65 0.42 -0.38 0.12 -1.04 0.33 -4.92 114.28 113.46 1jws n THR 18 Ca -0.10 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1jws n THR 18 Cb 0.43 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 1jws n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jws n GLY 19 N 1.33 -2.33 3.60 3.41 0.00 -1.13 -4.87 105.19 105.20 1jws n GLY 19 Ca 0.04 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 1jws n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jws s THR 20 N -0.75 5.00 0.36 2.61 2.01 -1.26 -4.68 115.64 118.93 1jws s THR 20 Ca 0.00 0.81 0.32 0.00 0.31 0.00 0.00 61.69 63.13 1jws s THR 20 Cb 0.00 -3.93 0.34 0.00 0.01 0.00 0.00 72.50 68.92 1jws s THR 20 CO 0.00 -0.06 2.08 -0.03 -0.69 0.00 0.00 174.62 175.93 1jws h MET 21 N 8.14 0.00 -0.36 4.92 4.05 -1.45 -2.52 114.93 127.71 1jws h MET 21 Ca -0.28 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.25 1jws h MET 21 Cb 1.13 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.91 1jws h MET 21 CO 0.76 0.08 0.27 0.78 0.23 0.00 0.00 176.91 179.03 1jws h GLY 22 N 1.09 0.00 2.00 1.39 0.00 0.25 0.40 103.07 108.20 1jws h GLY 22 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1jws h GLY 22 CO 0.01 0.00 -0.14 3.43 0.00 0.00 0.00 176.54 179.84 1jws h ASN 23 N 0.00 0.00 0.00 0.19 2.35 -1.70 0.36 115.58 116.78 1jws h ASN 23 Ca 0.17 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1jws h ASN 23 Cb 0.70 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.07 1jws h ASN 23 CO -0.00 0.14 -0.04 -0.03 -1.65 0.00 0.00 177.43 175.85 1jws h MET 24 N 0.00 0.00 -0.88 0.81 4.05 -0.42 -3.33 114.93 115.15 1jws h MET 24 Ca -0.00 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.56 1jws h MET 24 Cb 0.35 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.06 1jws h MET 24 CO 0.02 0.97 0.49 -0.22 0.23 0.00 0.00 176.91 178.40 1jws h LYS 25 N -1.00 0.69 -0.87 0.39 3.64 -0.92 -1.37 116.57 117.14 1jws h LYS 25 Ca -0.01 -0.04 0.22 0.00 -1.27 0.00 0.00 60.65 59.55 1jws h LYS 25 Cb 0.98 -0.16 -0.13 0.00 -0.41 0.00 0.00 32.23 32.51 1jws h LYS 25 CO -0.01 0.46 0.30 -0.92 -2.27 0.00 0.00 179.45 177.01 1jws h TYR 26 N 0.72 0.47 0.00 1.91 3.20 -0.40 -0.41 116.97 122.46 1jws h TYR 26 Ca 0.47 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.39 1jws h TYR 26 Cb 0.62 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1jws h TYR 26 CO -0.06 -0.13 0.00 -0.07 -1.64 0.00 0.00 178.16 176.26 1jws h LEU 27 N 0.29 0.00 0.00 2.82 3.38 -1.38 -3.33 115.31 117.09 1jws h LEU 27 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1jws h LEU 27 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1jws h LEU 27 CO -0.58 0.00 -0.34 -1.22 0.09 0.00 0.00 178.44 176.39 1jws n TYR 28 N -2.59 0.00 -2.61 1.13 4.02 -0.35 -4.73 117.16 112.03 1jws n TYR 28 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 1jws n TYR 28 Cb 0.21 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.50 1jws n TYR 28 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1jws s ASP 29 N -1.09 6.24 -1.42 7.72 3.68 -0.31 -3.83 116.67 127.66 1jws s ASP 29 Ca 0.00 -0.37 -0.13 0.00 2.13 0.00 0.00 52.55 54.18 1jws s ASP 29 Cb 0.00 -2.53 0.02 0.00 -1.45 0.00 0.00 42.92 38.95 1jws s ASP 29 CO 0.00 -1.67 0.28 -0.67 0.13 0.00 0.00 175.17 173.24 1jws n ASP 30 N 8.85 -1.02 -3.68 -0.34 2.03 -1.26 -4.93 116.55 116.21 1jws n ASP 30 Ca 0.03 -1.27 -0.26 0.00 0.52 0.00 0.00 54.79 53.81 1jws n ASP 30 Cb 0.48 -1.72 -0.17 0.00 -0.72 0.00 0.00 41.12 38.99 1jws n ASP 30 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1jws s HIS 31 N -4.05 0.58 -0.16 -0.67 2.46 -1.26 -5.13 115.29 107.07 1jws s HIS 31 Ca 0.18 -0.51 -0.32 0.00 0.47 0.00 0.00 55.06 54.89 1jws s HIS 31 Cb -0.10 -0.83 0.14 0.00 -0.13 0.00 0.00 32.58 31.65 1jws s HIS 31 CO 0.98 -0.52 1.10 1.52 -2.47 0.00 0.00 174.74 175.35 1jws s TYR 32 N 2.01 -0.23 -0.22 3.88 -0.85 -1.26 -4.63 117.35 116.05 1jws s TYR 32 Ca 0.01 0.26 -0.07 0.00 -0.52 0.00 0.00 57.07 56.74 1jws s TYR 32 Cb -0.16 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.64 1jws s TYR 32 CO -0.08 -0.29 0.07 0.08 -1.52 0.00 0.00 175.55 173.81 1jws s VAL 33 N -2.02 4.55 -0.04 -3.49 1.01 0.23 -4.96 120.40 115.67 1jws s VAL 33 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1jws s VAL 33 Cb -0.01 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.31 1jws s VAL 33 CO -0.04 0.39 0.03 -0.55 0.00 0.00 0.00 175.10 174.93 1jws s SER 34 N 1.03 0.87 0.02 3.32 0.15 -1.26 -2.31 113.70 115.52 1jws s SER 34 Ca 0.04 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1jws s SER 34 Cb -0.14 -0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 63.94 1jws s SER 34 CO 0.03 -0.18 -0.03 0.00 1.20 0.00 0.00 173.24 174.26 1jws s ALA 35 N 1.65 0.14 -0.03 5.45 0.00 -0.74 -4.99 121.76 123.25 1jws s ALA 35 Ca -0.01 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 51.43 1jws s ALA 35 Cb -0.13 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1jws s ALA 35 CO -0.03 -0.14 -0.20 0.99 0.00 0.00 0.00 175.76 176.38 1jws s THR 36 N -1.38 1.59 -0.55 0.00 2.01 -1.26 -1.16 115.64 114.89 1jws s THR 36 Ca -0.15 -0.84 -0.18 0.00 0.31 0.00 0.00 61.69 60.83 1jws s THR 36 Cb -0.10 -1.33 0.02 0.00 0.01 0.00 0.00 72.50 71.11 1jws s THR 36 CO -0.01 0.45 0.64 1.17 -0.69 0.00 0.00 174.62 176.18 1jws n LYS 37 N 2.76 -1.94 -4.15 4.92 4.81 -0.83 -5.00 118.16 118.73 1jws n LYS 37 Ca -0.16 1.62 -0.10 0.00 -0.87 0.00 0.00 58.31 58.80 1jws n LYS 37 Cb 0.53 -4.18 -0.10 0.00 0.02 0.00 0.00 35.03 31.30 1jws n LYS 37 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1jws s VAL 38 N -2.41 0.06 0.02 3.15 -7.23 -0.28 -4.90 120.40 108.82 1jws s VAL 38 Ca 0.21 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 1jws s VAL 38 Cb -0.04 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 1jws s VAL 38 CO 0.82 -0.28 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.50 1jws s LYS 39 N -4.08 0.55 0.73 4.82 2.20 -1.26 -0.35 119.74 122.34 1jws s LYS 39 Ca 0.29 -0.51 -0.16 0.00 -0.36 0.00 0.00 55.97 55.23 1jws s LYS 39 Cb 0.07 -0.44 0.02 0.00 -1.51 0.00 0.00 37.83 35.96 1jws s LYS 39 CO 0.05 0.10 1.05 -1.13 -0.36 0.00 0.00 175.35 175.07 1jws n SER 40 N 2.17 0.76 0.00 1.43 3.41 -1.26 -4.72 113.62 115.41 1jws n SER 40 Ca -0.18 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1jws n SER 40 Cb 0.56 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 1jws n SER 40 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1jws n VAL 41 N -2.58 0.00 -3.84 -3.33 0.24 -0.27 -4.96 118.33 103.60 1jws n VAL 41 Ca 0.13 -0.30 0.01 0.00 -2.04 0.00 0.00 64.34 62.14 1jws n VAL 41 Cb 0.49 1.18 0.01 0.00 -1.47 0.00 0.00 33.84 34.06 1jws n VAL 41 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jws s ASP 42 N -0.32 -0.02 0.04 -1.34 3.68 -1.21 -4.90 116.67 112.59 1jws s ASP 42 Ca 0.00 -0.28 -0.15 0.00 2.13 0.00 0.00 52.55 54.24 1jws s ASP 42 Cb 0.00 0.24 0.02 0.00 -1.45 0.00 0.00 42.92 41.73 1jws s ASP 42 CO 0.00 -0.46 0.34 -0.83 0.13 0.00 0.00 175.17 174.34 1jws s GLY 43 N -3.43 -0.17 0.00 2.66 0.00 -1.26 -0.02 107.32 105.10 1jws s GLY 43 Ca 0.22 0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1jws s GLY 43 CO -0.00 -0.10 0.00 -0.13 0.00 0.00 0.00 173.10 172.86 1jws n MET 44 N 0.63 0.00 -3.94 2.90 1.56 -1.26 -4.88 117.12 112.13 1jws n MET 44 Ca -0.19 0.10 -0.21 0.00 -0.27 0.00 0.00 57.70 57.13 1jws n MET 44 Cb 0.59 -0.55 -0.03 0.00 2.15 0.00 0.00 33.22 35.38 1jws n MET 44 CO 0.00 0.00 0.00 -0.06 -0.73 0.00 0.00 175.97 175.18 1jws s PHE 45 N -0.88 3.14 -1.90 1.12 0.40 -1.26 -5.00 117.98 113.60 1jws s PHE 45 Ca 0.00 -0.15 0.11 0.00 -0.60 0.00 0.00 56.93 56.30 1jws s PHE 45 Cb 0.00 -1.60 0.66 0.00 0.51 0.00 0.00 43.02 42.59 1jws s PHE 45 CO 0.00 0.37 1.14 0.27 0.70 0.00 0.00 175.22 177.70 1jws n ASN 46 N -1.33 0.00 -0.73 1.36 0.23 -1.26 -2.06 115.26 111.47 1jws n ASN 46 Ca -0.06 -0.27 0.07 0.00 -0.53 0.00 0.00 54.58 53.79 1jws n ASN 46 Cb 0.58 -0.05 0.17 0.00 -2.08 0.00 0.00 39.78 38.40 1jws n ASN 46 CO 0.00 0.00 0.00 -2.67 -0.93 0.00 0.00 177.26 173.66 1jws n TRP 47 N -1.05 0.48 -4.38 -2.53 2.14 -1.26 -4.49 117.44 106.34 1jws n TRP 47 Ca 0.08 -0.43 -0.19 0.00 2.07 0.00 0.00 57.50 59.02 1jws n TRP 47 Cb 0.05 -0.02 -0.10 0.00 -0.81 0.00 0.00 31.31 30.43 1jws n TRP 47 CO 0.00 0.00 0.00 0.16 2.07 0.00 0.00 177.69 179.92 1jws s ASP 48 N -1.01 2.40 -0.02 -0.67 1.47 -0.87 -1.00 116.67 116.97 1jws s ASP 48 Ca 0.26 -1.17 0.01 0.00 1.18 0.00 0.00 52.55 52.83 1jws s ASP 48 Cb 0.14 -0.10 0.01 0.00 -0.34 0.00 0.00 42.92 42.63 1jws s ASP 48 CO 0.19 -0.38 -0.03 -0.76 0.68 0.00 0.00 175.17 174.86 1jws s LEU 49 N -3.37 1.67 -0.13 2.11 1.43 -0.57 -4.55 118.68 115.27 1jws s LEU 49 Ca 0.28 -0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1jws s LEU 49 Cb 0.04 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.95 1jws s LEU 49 CO 0.10 -0.00 0.06 -0.63 0.23 0.00 0.00 176.35 176.11 1jws s ILE 50 N 0.37 4.82 0.26 -0.59 1.09 0.98 -1.34 121.20 126.79 1jws s ILE 50 Ca -0.04 -0.04 0.08 0.00 -1.10 0.00 0.00 60.65 59.54 1jws s ILE 50 Cb -0.07 -3.10 -0.05 0.00 -1.06 0.00 0.00 42.46 38.17 1jws s ILE 50 CO -0.00 0.56 -0.10 -0.31 -0.10 0.00 0.00 174.94 174.99 1jws s TYR 51 N -0.52 1.94 -0.80 3.97 1.51 0.11 -1.11 117.35 122.45 1jws s TYR 51 Ca 0.10 -0.62 -0.10 0.00 -1.01 0.00 0.00 57.07 55.45 1jws s TYR 51 Cb -0.12 -1.03 0.21 0.00 -0.11 0.00 0.00 41.96 40.91 1jws s TYR 51 CO 0.02 0.35 0.70 -0.80 -1.11 0.00 0.00 175.55 174.71 1jws s ASN 52 N -3.42 6.30 -0.04 2.29 0.01 -1.26 -1.34 114.94 117.48 1jws s ASN 52 Ca 0.28 -2.89 0.05 0.00 -0.71 0.00 0.00 52.86 49.59 1jws s ASN 52 Cb 0.02 -2.08 -0.01 0.00 0.41 0.00 0.00 41.25 39.59 1jws s ASN 52 CO 0.11 -0.46 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.43 1jws s ILE 53 N -0.13 1.50 -0.01 0.60 1.01 -0.97 -4.99 121.20 118.21 1jws s ILE 53 Ca 0.19 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1jws s ILE 53 Cb -0.13 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1jws s ILE 53 CO -0.07 0.43 0.03 -0.44 0.00 0.00 0.00 174.94 174.89 1jws s SER 54 N -0.06 5.35 -1.23 3.58 0.01 -1.26 -3.39 113.70 116.70 1jws s SER 54 Ca -0.02 0.07 -0.18 0.00 1.31 0.00 0.00 55.95 57.13 1jws s SER 54 Cb -0.11 -1.47 -0.01 0.00 0.21 0.00 0.00 66.02 64.64 1jws s SER 54 CO 0.02 0.29 1.99 -0.67 0.41 0.00 0.00 173.24 175.28 1jws n ASP 55 N 1.40 3.75 -0.31 2.44 4.64 -0.23 -4.77 116.55 123.47 1jws n ASP 55 Ca -0.14 -2.81 0.12 0.00 -1.38 0.00 0.00 54.79 50.58 1jws n ASP 55 Cb 0.53 -1.58 0.26 0.00 -1.04 0.00 0.00 41.12 39.29 1jws n ASP 55 CO 0.00 0.00 0.00 0.07 -0.82 0.00 0.00 177.20 176.45 1jws h LYS 56 N 7.35 0.09 0.00 -0.67 -0.00 -1.95 1.24 116.57 122.62 1jws h LYS 56 Ca 0.46 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 61.10 1jws h LYS 56 Cb 0.75 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 32.96 1jws h LYS 56 CO 1.70 0.06 0.00 1.63 -0.00 0.00 0.00 179.45 182.83 1jws n LYS 57 N -5.38 0.00 -0.22 0.07 5.02 -1.26 -4.17 118.16 112.22 1jws n LYS 57 Ca 0.20 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.60 1jws n LYS 57 Cb 0.67 -0.47 0.23 0.00 -0.02 0.00 0.00 35.03 35.43 1jws n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jws n LEU 58 N 0.00 3.48 -3.52 -0.35 7.99 -1.19 -4.99 117.00 118.43 1jws n LEU 58 Ca 0.00 -1.63 -0.23 0.00 -0.01 0.00 0.00 56.01 54.14 1jws n LEU 58 Cb 0.00 -0.29 0.05 0.00 -0.11 0.00 0.00 43.42 43.07 1jws n LEU 58 CO 0.00 0.79 -0.03 0.29 -1.51 0.00 0.00 177.39 176.93 1jws n LYS 59 N 1.43 -2.65 -0.11 3.23 4.76 0.42 -4.91 118.16 120.33 1jws n LYS 59 Ca 0.19 0.66 0.10 0.00 -2.87 0.00 0.00 58.31 56.39 1jws n LYS 59 Cb 0.59 -5.06 0.15 0.00 -1.84 0.00 0.00 35.03 28.86 1jws n LYS 59 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jws n ASN 60 N -2.98 2.99 -3.62 4.39 5.03 -1.26 -4.95 115.26 114.86 1jws n ASN 60 Ca -0.14 -1.88 -0.01 0.00 0.87 0.00 0.00 54.58 53.42 1jws n ASN 60 Cb 0.62 -0.14 -0.01 0.00 -1.02 0.00 0.00 39.78 39.23 1jws n ASN 60 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1jws s TYR 61 N -1.41 -0.03 0.00 3.10 -0.85 -1.26 -4.40 117.35 112.50 1jws s TYR 61 Ca 0.29 0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.85 1jws s TYR 61 Cb 0.18 0.51 0.00 0.00 0.38 0.00 0.00 41.96 43.03 1jws s TYR 61 CO 0.26 -0.07 0.17 -0.40 -1.52 0.00 0.00 175.55 173.99 1jws n ASP 62 N -0.15 0.00 -3.97 -0.18 3.85 0.38 -1.07 116.55 115.40 1jws n ASP 62 Ca 0.01 -1.00 -0.24 0.00 -0.71 0.00 0.00 54.79 52.84 1jws n ASP 62 Cb 0.59 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 40.19 1jws n ASP 62 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1jws s LYS 63 N 0.00 1.51 -0.08 0.11 -0.14 -1.18 -2.28 119.74 117.68 1jws s LYS 63 Ca 0.00 -0.32 0.03 0.00 -1.36 0.00 0.00 55.97 54.32 1jws s LYS 63 Cb 0.00 -1.35 0.01 0.00 -1.68 0.00 0.00 37.83 34.81 1jws s LYS 63 CO 0.00 -0.06 -0.18 0.08 -0.76 0.00 0.00 175.35 174.44 1jws s VAL 64 N 0.94 1.55 -0.16 3.17 1.01 -0.45 -1.61 120.40 124.85 1jws s VAL 64 Ca -0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1jws s VAL 64 Cb -0.15 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1jws s VAL 64 CO 0.00 0.45 -0.11 -0.75 0.00 0.00 0.00 175.10 174.69 1jws s LYS 65 N 0.49 3.35 -0.09 2.72 2.20 -0.67 0.05 119.74 127.79 1jws s LYS 65 Ca -0.16 -0.68 0.04 0.00 -0.36 0.00 0.00 55.97 54.81 1jws s LYS 65 Cb -0.17 -2.74 -0.01 0.00 -1.51 0.00 0.00 37.83 33.41 1jws s LYS 65 CO 0.06 0.06 -0.21 -0.08 -0.36 0.00 0.00 175.35 174.82 1jws s THR 66 N 0.76 2.37 -0.13 3.43 -1.32 -0.45 -0.17 115.64 120.13 1jws s THR 66 Ca -0.05 -0.93 -0.07 0.00 -1.21 0.00 0.00 61.69 59.44 1jws s THR 66 Cb -0.15 -1.91 -0.04 0.00 -1.51 0.00 0.00 72.50 68.88 1jws s THR 66 CO 0.01 0.56 0.13 -1.61 -2.21 0.00 0.00 174.62 171.50 1jws s GLU 67 N 0.10 3.49 0.30 7.08 2.02 -0.35 -1.51 118.70 129.84 1jws s GLU 67 Ca -0.10 -0.16 0.09 0.00 0.02 0.00 0.00 54.97 54.82 1jws s GLU 67 Cb -0.16 -3.19 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 1jws s GLU 67 CO 0.06 0.72 0.01 -0.51 0.02 0.00 0.00 175.26 175.56 1jws s LEU 68 N -0.86 3.12 0.39 1.80 1.43 -0.17 -1.88 118.68 122.50 1jws s LEU 68 Ca 0.14 -0.77 0.14 0.00 -1.03 0.00 0.00 54.13 52.61 1jws s LEU 68 Cb -0.12 -1.60 0.97 0.00 0.03 0.00 0.00 46.19 45.48 1jws s LEU 68 CO 0.03 -0.10 1.85 0.25 0.23 0.00 0.00 176.35 178.61 1jws h LEU 69 N 1.84 0.51 0.00 1.79 5.85 -1.66 -3.45 115.31 120.20 1jws h LEU 69 Ca -0.43 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.25 1jws h LEU 69 Cb 1.25 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1jws h LEU 69 CO 0.62 0.22 0.06 -0.46 -0.34 0.00 0.00 178.44 178.54 1jws n ASN 70 N -4.55 -1.17 0.07 1.25 0.23 -1.26 -5.05 115.26 104.77 1jws n ASN 70 Ca 0.19 -2.05 -0.08 0.00 -0.53 0.00 0.00 54.58 52.11 1jws n ASN 70 Cb 0.62 2.02 0.06 0.00 -2.08 0.00 0.00 39.78 40.40 1jws n ASN 70 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1jws h GLU 71 N 0.00 0.29 -0.36 -3.83 4.81 -1.88 -2.59 114.58 111.02 1jws h GLU 71 Ca -0.19 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 58.74 1jws h GLU 71 Cb 0.75 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1jws h GLU 71 CO 0.25 0.88 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.94 1jws h ASP 72 N 0.20 0.64 -0.90 1.04 3.32 -1.97 0.12 116.42 118.86 1jws h ASP 72 Ca -0.02 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.71 1jws h ASP 72 Cb 1.27 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.60 1jws h ASP 72 CO 0.11 0.81 0.59 0.25 -1.72 0.00 0.00 179.24 179.29 1jws h LEU 73 N 0.45 1.03 -0.04 1.55 5.85 -1.95 -0.40 115.31 121.80 1jws h LEU 73 Ca 0.10 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1jws h LEU 73 Cb 0.50 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1jws h LEU 73 CO 0.02 0.74 0.00 0.00 -0.34 0.00 0.00 178.44 178.87 1jws h ALA 74 N 1.44 0.05 -0.87 1.25 0.00 -1.05 -3.14 119.26 116.95 1jws h ALA 74 Ca 0.33 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1jws h ALA 74 Cb -0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1jws h ALA 74 CO -0.07 -0.30 0.55 0.87 0.00 0.00 0.00 179.25 180.30 1jws h LYS 75 N -0.20 1.04 -0.73 0.00 1.57 -0.24 -0.51 116.57 117.50 1jws h LYS 75 Ca 0.01 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 58.87 1jws h LYS 75 Cb 0.29 -0.23 -0.10 0.00 0.08 0.00 0.00 32.23 32.27 1jws h LYS 75 CO 0.00 0.69 0.25 -0.22 -0.57 0.00 0.00 179.45 179.59 1jws h LYS 76 N 1.07 0.36 -0.02 3.15 3.64 -1.04 -2.53 116.57 121.20 1jws h LYS 76 Ca 0.35 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1jws h LYS 76 Cb 0.03 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1jws h LYS 76 CO -0.13 0.24 -0.43 0.66 -2.27 0.00 0.00 179.45 177.52 1jws n TYR 77 N -5.06 0.00 -0.33 1.91 4.02 -1.06 -4.51 117.16 112.13 1jws n TYR 77 Ca 0.14 0.00 0.24 0.00 -0.01 0.00 0.00 57.90 58.27 1jws n TYR 77 Cb 0.42 0.00 0.53 0.00 -0.02 0.00 0.00 39.34 40.27 1jws n TYR 77 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1jws h LYS 78 N 2.66 0.34 -0.03 -0.72 3.64 -0.63 -2.38 116.57 119.44 1jws h LYS 78 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1jws h LYS 78 Cb 0.78 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1jws h LYS 78 CO 0.00 0.23 0.00 -0.25 -2.27 0.00 0.00 179.45 177.16 1jws n ASP 79 N -4.61 1.55 -4.88 4.20 8.00 -1.26 -4.10 116.55 115.45 1jws n ASP 79 Ca 0.26 -1.37 -0.30 0.00 0.71 0.00 0.00 54.79 54.09 1jws n ASP 79 Cb 0.93 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.99 1jws n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1jws s GLU 80 N -0.47 3.73 -0.38 -1.24 2.02 -0.90 -4.98 118.70 116.49 1jws s GLU 80 Ca 0.05 0.49 -0.22 0.00 0.02 0.00 0.00 54.97 55.31 1jws s GLU 80 Cb 0.03 -2.33 0.01 0.00 0.10 0.00 0.00 34.13 31.94 1jws s GLU 80 CO 0.04 -0.14 0.72 0.08 0.02 0.00 0.00 175.26 175.98 1jws s VAL 81 N -2.54 4.79 0.41 2.63 1.01 -1.26 -4.48 120.40 120.95 1jws s VAL 81 Ca 0.52 0.67 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1jws s VAL 81 Cb -0.10 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 1jws s VAL 81 CO 0.36 -0.43 0.01 1.33 0.00 0.00 0.00 175.10 176.36 1jws n VAL 82 N 5.76 0.00 -4.37 2.92 0.24 0.53 -2.03 118.33 121.38 1jws n VAL 82 Ca 0.01 -1.95 -0.24 0.00 -2.04 0.00 0.00 64.34 60.12 1jws n VAL 82 Cb 0.48 0.41 -0.12 0.00 -1.47 0.00 0.00 33.84 33.14 1jws n VAL 82 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1jws s ASP 83 N -3.26 3.03 -0.02 -1.34 1.01 0.76 -1.12 116.67 115.73 1jws s ASP 83 Ca 0.01 -0.85 0.02 0.00 0.71 0.00 0.00 52.55 52.43 1jws s ASP 83 Cb 0.00 -0.20 0.00 0.00 1.01 0.00 0.00 42.92 43.73 1jws s ASP 83 CO 0.01 0.04 -0.06 -0.69 0.21 0.00 0.00 175.17 174.68 1jws s VAL 84 N -1.82 0.49 -0.13 -1.27 1.01 -0.31 -2.20 120.40 116.17 1jws s VAL 84 Ca 0.17 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 1jws s VAL 84 Cb -0.07 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 35.90 1jws s VAL 84 CO 0.08 0.16 0.32 -0.47 0.00 0.00 0.00 175.10 175.19 1jws s TYR 85 N 0.16 -0.41 0.00 5.22 5.04 -0.16 -1.79 117.35 125.41 1jws s TYR 85 Ca -0.02 0.94 0.00 0.00 -2.44 0.00 0.00 57.07 55.56 1jws s TYR 85 Cb -0.06 0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.39 1jws s TYR 85 CO -0.00 -0.23 0.00 0.41 -1.34 0.00 0.00 175.55 174.39 1jws n GLY 86 N 3.60 1.11 3.60 8.97 0.00 -0.98 -3.95 105.19 117.55 1jws n GLY 86 Ca -0.19 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 1jws n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jws s SER 87 N 0.00 6.22 0.38 1.61 0.15 -1.26 -0.60 113.70 120.19 1jws s SER 87 Ca 0.00 0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.90 1jws s SER 87 Cb 0.00 -2.20 -0.01 0.00 -1.71 0.00 0.00 66.02 62.10 1jws s SER 87 CO 0.00 -0.17 0.56 0.54 1.20 0.00 0.00 173.24 175.37 1jws s ASN 88 N 1.66 6.02 0.14 5.45 2.20 -1.26 -4.55 114.94 124.60 1jws s ASN 88 Ca 0.14 0.18 -0.01 0.00 -0.94 0.00 0.00 52.86 52.23 1jws s ASN 88 Cb -0.16 -1.60 -0.04 0.00 -2.00 0.00 0.00 41.25 37.45 1jws s ASN 88 CO 0.10 -0.48 0.05 -0.72 -2.94 0.00 0.00 177.10 173.11 1jws s TYR 89 N -2.35 0.92 0.00 1.54 1.13 0.27 -4.93 117.35 113.93 1jws s TYR 89 Ca 0.44 -1.22 0.00 0.00 -1.41 0.00 0.00 57.07 54.88 1jws s TYR 89 Cb -0.10 -0.51 0.00 0.00 -1.10 0.00 0.00 41.96 40.25 1jws s TYR 89 CO 0.35 -0.49 0.00 0.66 -2.51 0.00 0.00 175.55 173.56 1jws n TYR 90 N -0.12 0.00 -1.68 -3.49 4.02 -1.26 -1.99 117.16 112.64 1jws n TYR 90 Ca -0.05 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.39 1jws n TYR 90 Cb 0.64 0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.93 1jws n TYR 90 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1jws n VAL 91 N -2.39 0.46 -2.65 -0.72 0.31 -1.26 -0.96 118.33 111.12 1jws n VAL 91 Ca 0.00 -0.08 -0.17 0.00 -0.01 0.00 0.00 64.34 64.08 1jws n VAL 91 Cb 0.40 -2.02 0.02 0.00 -0.91 0.00 0.00 33.84 31.33 1jws n VAL 91 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1jws n ASN 92 N 6.00 -5.04 -4.56 4.52 5.03 -1.26 -4.75 115.26 115.20 1jws n ASN 92 Ca 0.20 -0.15 -0.40 0.00 0.87 0.00 0.00 54.58 55.10 1jws n ASN 92 Cb 0.35 -3.98 -0.10 0.00 -1.02 0.00 0.00 39.78 35.02 1jws n ASN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jws s TYR 94 N 1.93 0.56 0.00 0.00 2.02 -1.26 -4.98 117.35 115.62 1jws s TYR 94 Ca 0.10 -0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.69 1jws s TYR 94 Cb -0.17 -0.42 0.00 0.00 -0.40 0.00 0.00 41.96 40.97 1jws s TYR 94 CO 0.11 -0.06 0.00 1.97 -1.57 0.00 0.00 175.55 176.00 1jws n PHE 95 N 3.31 0.00 -0.09 2.71 1.16 -1.26 -5.06 117.46 118.23 1jws n PHE 95 Ca -0.17 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.24 1jws n PHE 95 Cb 0.55 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.34 1jws n PHE 95 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1jws h SER 96 N 0.00 0.00 -3.82 5.98 0.87 -1.98 -3.52 113.55 111.08 1jws h SER 96 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1jws h SER 96 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1jws h SER 96 CO 0.00 1.28 -0.05 -0.24 -0.53 0.00 0.00 176.83 177.29 1jws n SER 97 N -4.49 -2.38 0.00 6.23 2.88 -1.26 -5.19 113.62 109.41 1jws n SER 97 Ca -0.25 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1jws n SER 97 Cb 0.56 0.29 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 1jws n SER 97 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jws n LYS 98 N -0.33 0.00 -0.94 -1.46 5.02 -1.26 -5.16 118.16 114.02 1jws n LYS 98 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1jws n LYS 98 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1jws n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jws n GLY 106 N 0.00 -3.02 3.88 0.72 0.00 -1.26 -4.91 105.19 100.61 1jws n GLY 106 Ca 0.00 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1jws n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jws s GLY 107 N -6.18 1.73 0.38 -0.02 0.00 -1.26 -4.87 107.32 97.10 1jws s GLY 107 Ca 0.00 -0.28 0.08 0.00 0.00 0.00 0.00 44.72 44.52 1jws s GLY 107 CO 0.00 -0.09 0.02 -1.59 0.00 0.00 0.00 173.10 171.45 1jws s LYS 108 N -4.41 2.01 -0.06 2.90 -2.85 -1.26 -0.47 119.74 115.61 1jws s LYS 108 Ca 0.51 -1.93 -0.25 0.00 -1.00 0.00 0.00 55.97 53.29 1jws s LYS 108 Cb -0.10 -1.79 0.06 0.00 -2.06 0.00 0.00 37.83 33.93 1jws s LYS 108 CO 0.40 0.02 0.57 -0.08 0.10 0.00 0.00 175.35 176.36 1jws s THR 109 N -2.62 0.02 0.31 3.79 -1.32 -0.63 -4.83 115.64 110.35 1jws s THR 109 Ca 0.36 -0.14 0.09 0.00 -1.21 0.00 0.00 61.69 60.79 1jws s THR 109 Cb 0.05 -0.87 -0.05 0.00 -1.51 0.00 0.00 72.50 70.12 1jws s THR 109 CO 0.19 -0.07 0.04 0.00 -2.21 0.00 0.00 174.62 172.57 1jws n MET 111 N -0.98 0.84 -4.15 0.00 0.00 0.76 -0.56 117.12 113.03 1jws n MET 111 Ca -0.05 -1.74 -0.16 0.00 0.00 0.00 0.00 57.70 55.76 1jws n MET 111 Cb 0.61 2.24 -0.11 0.00 0.00 0.00 0.00 33.22 35.95 1jws n MET 111 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1jws s TYR 112 N -2.55 1.04 0.00 3.17 1.51 -1.26 -1.21 117.35 118.05 1jws s TYR 112 Ca 0.18 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 1jws s TYR 112 Cb -0.04 -0.58 0.00 0.00 -0.11 0.00 0.00 41.96 41.23 1jws s TYR 112 CO 0.08 0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.94 1jws n GLY 113 N 1.05 2.23 2.42 0.71 0.00 -0.79 -4.82 105.19 105.99 1jws n GLY 113 Ca -0.20 -0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 1jws n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jws n GLY 114 N 0.00 0.78 3.55 -0.02 0.00 -1.25 -4.87 105.19 103.37 1jws n GLY 114 Ca 0.00 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1jws n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jws s ILE 115 N -1.98 4.40 -0.01 -0.61 1.01 -1.26 -0.99 121.20 121.75 1jws s ILE 115 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1jws s ILE 115 Cb 0.00 -2.99 -0.00 0.00 0.01 0.00 0.00 42.46 39.48 1jws s ILE 115 CO 0.00 0.44 -0.05 0.42 0.00 0.00 0.00 174.94 175.75 1jws s THR 116 N 0.68 0.43 0.69 2.92 -4.23 -0.94 -4.96 115.64 110.23 1jws s THR 116 Ca 0.02 -0.22 -0.17 0.00 -1.18 0.00 0.00 61.69 60.14 1jws s THR 116 Cb -0.14 -0.37 -0.00 0.00 1.34 0.00 0.00 72.50 73.33 1jws s THR 116 CO 0.02 0.13 1.07 1.17 -0.54 0.00 0.00 174.62 176.47 1jws n LYS 117 N 3.03 0.71 -0.10 3.99 4.81 -1.26 -0.17 118.16 129.17 1jws n LYS 117 Ca -0.14 0.30 -0.17 0.00 -0.87 0.00 0.00 58.31 57.43 1jws n LYS 117 Cb 0.58 -2.31 -0.13 0.00 0.02 0.00 0.00 35.03 33.19 1jws n LYS 117 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1jws n HIS 118 N -2.27 0.28 -1.63 5.64 -0.00 -0.86 -4.58 115.22 111.80 1jws n HIS 118 Ca 0.14 0.07 -0.48 0.00 -0.00 0.00 0.00 57.72 57.45 1jws n HIS 118 Cb 0.49 -1.04 -0.05 0.00 -0.00 0.00 0.00 29.99 29.39 1jws n HIS 118 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1jws n GLU 119 N -3.24 1.98 -0.94 1.57 4.07 -1.26 -2.32 120.64 120.49 1jws n GLU 119 Ca -0.41 0.68 0.00 0.00 -0.06 0.00 0.00 57.16 57.37 1jws n GLU 119 Cb 1.02 -2.71 0.00 0.00 -0.06 0.00 0.00 31.44 29.69 1jws n GLU 119 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jws n GLY 120 N 4.98 0.09 1.64 8.31 0.00 -1.26 -4.83 105.19 114.12 1jws n GLY 120 Ca 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.24 1jws n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jws n ASN 121 N -0.73 3.97 -4.22 1.61 5.15 -0.98 -4.92 115.26 115.13 1jws n ASN 121 Ca 0.00 -2.85 -0.28 0.00 -0.60 0.00 0.00 54.58 50.84 1jws n ASN 121 Cb 0.37 -0.68 -0.07 0.00 -0.53 0.00 0.00 39.78 38.87 1jws n ASN 121 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1jws n HIS 122 N -0.04 0.65 -3.97 1.20 8.25 -1.26 -1.58 115.22 118.47 1jws n HIS 122 Ca 0.29 -2.50 -0.34 0.00 -0.26 0.00 0.00 57.72 54.90 1jws n HIS 122 Cb 1.09 -0.17 -0.14 0.00 1.12 0.00 0.00 29.99 31.89 1jws n HIS 122 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1jws s PHE 123 N -2.92 3.02 -0.05 4.41 0.40 -1.26 -4.86 117.98 116.72 1jws s PHE 123 Ca 0.10 -1.47 -0.22 0.00 -0.60 0.00 0.00 56.93 54.74 1jws s PHE 123 Cb 0.00 -2.05 -0.26 0.00 0.51 0.00 0.00 43.02 41.22 1jws s PHE 123 CO 0.07 -0.71 1.31 -0.40 0.70 0.00 0.00 175.22 176.19 1jws n ASP 124 N 4.68 0.41 0.00 1.36 5.68 -1.26 -1.81 116.55 125.61 1jws n ASP 124 Ca -0.17 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 1jws n ASP 124 Cb 0.48 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1jws n ASP 124 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1jws n ASN 125 N 7.95 0.00 0.00 -1.12 4.05 -1.26 -4.87 115.26 120.02 1jws n ASN 125 Ca 0.33 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.36 1jws n ASN 125 Cb 0.38 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.39 1jws n ASN 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1jws n GLY 126 N 0.00 0.83 3.77 8.20 0.00 -0.75 -5.04 105.19 112.20 1jws n GLY 126 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1jws n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jws s ASN 127 N -2.03 6.78 0.12 1.61 -0.87 -1.25 -5.04 114.94 114.25 1jws s ASN 127 Ca 0.00 2.50 0.06 0.00 -1.57 0.00 0.00 52.86 53.85 1jws s ASN 127 Cb 0.00 -2.63 -0.04 0.00 -0.02 0.00 0.00 41.25 38.56 1jws s ASN 127 CO 0.00 -0.51 -0.02 -0.76 -2.57 0.00 0.00 177.10 173.24 1jws s LEU 128 N -1.96 3.35 -0.11 0.60 1.43 -1.26 -4.56 118.68 116.16 1jws s LEU 128 Ca 0.51 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 1jws s LEU 128 Cb -0.35 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 1jws s LEU 128 CO 0.46 0.15 0.27 -1.58 0.23 0.00 0.00 176.35 175.88 1jws s GLN 129 N -2.46 3.96 0.09 1.70 2.00 -0.25 -4.91 119.66 119.79 1jws s GLN 129 Ca 0.25 0.09 -0.13 0.00 -2.00 0.00 0.00 55.36 53.58 1jws s GLN 129 Cb -0.11 -3.32 -0.06 0.00 0.80 0.00 0.00 33.01 30.32 1jws s GLN 129 CO 0.18 0.49 0.46 -0.80 -0.50 0.00 0.00 175.29 175.12 1jws s ASN 130 N -0.29 6.75 -0.10 6.67 0.01 -1.26 -2.00 114.94 124.72 1jws s ASN 130 Ca 0.17 0.95 0.02 0.00 -0.71 0.00 0.00 52.86 53.29 1jws s ASN 130 Cb -0.13 -2.24 0.01 0.00 0.41 0.00 0.00 41.25 39.30 1jws s ASN 130 CO 0.06 0.17 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.98 1jws s VAL 131 N -1.36 1.44 0.09 1.60 1.01 -0.71 -4.81 120.40 117.67 1jws s VAL 131 Ca 0.33 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 1jws s VAL 131 Cb -0.15 -1.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.84 1jws s VAL 131 CO 0.18 0.43 1.35 -0.22 0.00 0.00 0.00 175.10 176.84 1jws s LEU 132 N 0.91 4.37 -0.19 3.92 2.96 -1.26 -2.17 118.68 127.22 1jws s LEU 132 Ca -0.08 2.24 -0.01 0.00 -0.22 0.00 0.00 54.13 56.06 1jws s LEU 132 Cb -0.15 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.01 1jws s LEU 132 CO -0.00 -0.62 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.70 1jws s VAL 133 N 1.21 0.99 -0.21 1.68 1.01 0.73 -1.59 120.40 124.22 1jws s VAL 133 Ca 0.63 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.80 1jws s VAL 133 Cb -0.35 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1jws s VAL 133 CO 0.30 -0.06 0.07 -0.13 0.00 0.00 0.00 175.10 175.28 1jws s ARG 134 N 1.66 3.83 -0.06 2.72 0.52 -0.76 -0.84 118.95 126.02 1jws s ARG 134 Ca -0.02 -0.41 -0.11 0.00 -0.52 0.00 0.00 55.73 54.68 1jws s ARG 134 Cb -0.17 -3.26 -0.05 0.00 0.52 0.00 0.00 34.95 31.99 1jws s ARG 134 CO -0.07 0.07 0.28 0.08 0.02 0.00 0.00 175.30 175.68 1jws s VAL 135 N 0.93 5.26 -0.11 3.52 1.01 0.25 -1.43 120.40 129.82 1jws s VAL 135 Ca 0.04 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.58 1jws s VAL 135 Cb -0.14 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1jws s VAL 135 CO 0.03 0.59 -0.15 -0.31 0.00 0.00 0.00 175.10 175.25 1jws s TYR 136 N -0.99 2.01 -0.24 5.22 1.51 0.16 -1.43 117.35 123.59 1jws s TYR 136 Ca 0.19 -0.96 -0.00 0.00 -1.01 0.00 0.00 57.07 55.29 1jws s TYR 136 Cb -0.14 -1.45 0.03 0.00 -0.11 0.00 0.00 41.96 40.29 1jws s TYR 136 CO 0.09 -0.50 -0.09 -1.21 -1.11 0.00 0.00 175.55 172.73 1jws s GLU 137 N 1.03 2.73 -1.22 -0.62 2.02 -0.20 0.20 118.70 122.64 1jws s GLU 137 Ca -0.05 -1.04 -0.03 0.00 0.02 0.00 0.00 54.97 53.86 1jws s GLU 137 Cb -0.15 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.16 1jws s GLU 137 CO -0.02 -0.41 0.82 0.09 0.02 0.00 0.00 175.26 175.75 1jws n ASN 138 N 4.61 -2.77 0.00 -0.19 3.02 0.04 -2.40 115.26 117.58 1jws n ASN 138 Ca -0.17 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 1jws n ASN 138 Cb 0.46 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.20 1jws n ASN 138 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jws n LYS 139 N -4.05 0.00 -4.87 3.52 5.02 -1.26 -4.98 118.16 111.54 1jws n LYS 139 Ca -0.24 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.73 1jws n LYS 139 Cb 0.66 -3.73 -0.14 0.00 -0.02 0.00 0.00 35.03 31.79 1jws n LYS 139 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1jws s ARG 140 N -0.59 2.99 -0.10 1.97 0.52 -1.01 -5.05 118.95 117.68 1jws s ARG 140 Ca 0.00 -0.71 -0.29 0.00 -0.52 0.00 0.00 55.73 54.20 1jws s ARG 140 Cb 0.00 -2.49 -0.05 0.00 0.52 0.00 0.00 34.95 32.92 1jws s ARG 140 CO 0.00 0.37 1.78 1.21 0.02 0.00 0.00 175.30 178.68 1jws s ASN 141 N -0.08 6.40 -0.22 0.23 2.47 -1.26 -1.03 114.94 121.44 1jws s ASN 141 Ca -0.03 2.11 -0.17 0.00 0.42 0.00 0.00 52.86 55.20 1jws s ASN 141 Cb -0.14 -2.53 -0.13 0.00 -1.45 0.00 0.00 41.25 37.00 1jws s ASN 141 CO 0.04 -1.17 -0.10 0.35 -3.72 0.00 0.00 177.10 172.49 1jws n THR 142 N 6.03 1.51 -4.00 -5.21 -2.24 -0.52 -4.94 114.28 104.90 1jws n THR 142 Ca 0.20 -0.09 -0.08 0.00 -2.27 0.00 0.00 64.05 61.81 1jws n THR 142 Cb 0.43 -2.08 -0.09 0.00 -2.10 0.00 0.00 70.33 66.49 1jws n THR 142 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1jws s ILE 143 N -2.46 0.18 0.01 2.28 -0.00 -1.25 -5.04 121.20 114.91 1jws s ILE 143 Ca -0.30 -1.45 0.00 0.00 -0.00 0.00 0.00 60.65 58.90 1jws s ILE 143 Cb 0.08 -1.22 -0.01 0.00 -0.00 0.00 0.00 42.46 41.31 1jws s ILE 143 CO 0.48 -0.80 -0.02 -0.44 -0.00 0.00 0.00 174.94 174.16 1jws s SER 144 N -2.58 0.21 0.00 4.36 0.01 -1.26 -0.58 113.70 113.85 1jws s SER 144 Ca 0.02 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1jws s SER 144 Cb 0.04 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1jws s SER 144 CO -0.08 -0.07 0.00 2.22 0.41 0.00 0.00 173.24 175.72 1jws n PHE 145 N 2.62 -0.37 -3.97 2.43 -1.74 -0.02 -5.00 117.46 111.42 1jws n PHE 145 Ca -0.16 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.64 1jws n PHE 145 Cb 0.58 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.47 1jws n PHE 145 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1jws s GLU 146 N -0.49 0.28 0.46 3.97 2.02 -1.26 -0.19 118.70 123.48 1jws s GLU 146 Ca 0.00 -0.54 0.07 0.00 0.02 0.00 0.00 54.97 54.52 1jws s GLU 146 Cb 0.00 0.09 -0.00 0.00 0.10 0.00 0.00 34.13 34.31 1jws s GLU 146 CO 0.00 -0.04 0.38 0.14 0.02 0.00 0.00 175.26 175.76 1jws s VAL 147 N -1.28 2.31 0.01 2.63 -7.23 -0.92 -4.89 120.40 111.04 1jws s VAL 147 Ca -0.14 -1.42 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1jws s VAL 147 Cb -0.09 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 1jws s VAL 147 CO -0.01 0.00 -0.09 -1.10 -0.31 0.00 0.00 175.10 173.59 1jws s GLN 148 N -4.17 0.69 0.03 4.82 -0.21 -1.26 -1.74 119.66 117.83 1jws s GLN 148 Ca 0.44 -0.48 0.01 0.00 0.02 0.00 0.00 55.36 55.35 1jws s GLN 148 Cb -0.02 -0.64 -0.02 0.00 1.00 0.00 0.00 33.01 33.33 1jws s GLN 148 CO 0.26 0.16 -0.06 -0.08 -2.12 0.00 0.00 175.29 173.46 1jws s THR 149 N -0.55 0.35 -0.98 -0.19 -1.32 -0.85 -4.96 115.64 107.14 1jws s THR 149 Ca 0.00 -1.04 0.17 0.00 -1.21 0.00 0.00 61.69 59.61 1jws s THR 149 Cb -0.05 -0.50 0.72 0.00 -1.51 0.00 0.00 72.50 71.15 1jws s THR 149 CO 0.00 -0.46 1.62 -0.90 -2.21 0.00 0.00 174.62 172.67 1jws n ASP 150 N 1.45 4.80 -4.38 8.08 5.75 -1.26 -1.09 116.55 129.91 1jws n ASP 150 Ca -0.23 -2.53 -0.31 0.00 -0.01 0.00 0.00 54.79 51.72 1jws n ASP 150 Cb 0.55 -0.59 -0.14 0.00 -1.03 0.00 0.00 41.12 39.90 1jws n ASP 150 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1jws s LYS 151 N -2.02 2.03 -0.06 0.11 1.02 -1.26 -4.30 119.74 115.26 1jws s LYS 151 Ca 0.50 -0.98 -0.26 0.00 0.02 0.00 0.00 55.97 55.24 1jws s LYS 151 Cb 0.33 -2.09 -0.22 0.00 -0.52 0.00 0.00 37.83 35.33 1jws s LYS 151 CO 0.22 0.54 1.08 0.87 -0.92 0.00 0.00 175.35 177.14 1jws h LYS 152 N 4.99 0.08 -4.99 1.68 1.57 -1.63 -3.41 116.57 114.86 1jws h LYS 152 Ca -0.46 -0.07 -0.64 0.00 -1.87 0.00 0.00 60.65 57.61 1jws h LYS 152 Cb 1.14 0.02 -0.21 0.00 0.08 0.00 0.00 32.23 33.25 1jws h LYS 152 CO 0.46 0.76 -0.61 0.45 -0.57 0.00 0.00 179.45 179.94 1jws s SER 153 N -6.04 5.26 0.09 0.86 0.15 -1.26 -0.80 113.70 111.97 1jws s SER 153 Ca -0.17 -0.15 0.08 0.00 0.70 0.00 0.00 55.95 56.41 1jws s SER 153 Cb 0.01 -1.94 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 1jws s SER 153 CO 0.70 -0.01 -0.19 0.54 1.20 0.00 0.00 173.24 175.48 1jws s VAL 154 N 1.46 1.59 0.23 4.45 0.11 0.57 -4.90 120.40 123.90 1jws s VAL 154 Ca 0.06 -1.48 -0.30 0.00 -2.93 0.00 0.00 61.98 57.33 1jws s VAL 154 Cb -0.15 -1.45 -0.09 0.00 -1.53 0.00 0.00 36.38 33.16 1jws s VAL 154 CO 0.04 -0.08 1.09 0.42 -3.33 0.00 0.00 175.10 173.23 1jws s THR 155 N -1.17 3.72 0.36 5.04 -4.23 -1.26 0.65 115.64 118.75 1jws s THR 155 Ca 0.05 1.61 0.12 0.00 -1.18 0.00 0.00 61.69 62.28 1jws s THR 155 Cb -0.10 -4.02 0.34 0.00 1.34 0.00 0.00 72.50 70.06 1jws s THR 155 CO 0.04 0.33 1.81 0.00 -0.54 0.00 0.00 174.62 176.26 1jws h ALA 156 N 4.48 1.95 -0.57 3.99 0.00 -1.25 -1.10 119.26 126.77 1jws h ALA 156 Ca -0.45 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.57 1jws h ALA 156 Cb 1.21 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1jws h ALA 156 CO 0.70 -0.28 0.25 0.37 0.00 0.00 0.00 179.25 180.28 1jws h GLN 157 N 0.59 0.45 -0.80 0.00 4.15 -1.91 0.38 115.11 117.98 1jws h GLN 157 Ca 0.53 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.91 1jws h GLN 157 Cb 1.06 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.61 1jws h GLN 157 CO -0.28 0.30 0.42 1.49 -1.93 0.00 0.00 178.83 178.83 1jws h GLU 158 N 0.46 1.12 -0.25 1.69 4.81 -1.47 0.43 114.58 121.37 1jws h GLU 158 Ca 0.27 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1jws h GLU 158 Cb 0.26 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1jws h GLU 158 CO -0.23 0.84 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.59 1jws h LEU 159 N 1.11 0.62 0.13 1.64 3.38 -1.27 -2.15 115.31 118.77 1jws h LEU 159 Ca 0.28 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1jws h LEU 159 Cb 0.05 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1jws h LEU 159 CO -0.04 0.96 -0.26 -0.78 0.09 0.00 0.00 178.44 178.41 1jws h ASP 160 N 0.30 -0.73 -0.69 -0.43 -0.00 0.16 0.50 116.42 115.53 1jws h ASP 160 Ca 0.04 0.08 0.13 0.00 -0.00 0.00 0.00 57.03 57.28 1jws h ASP 160 Cb 0.77 0.27 -0.09 0.00 -0.00 0.00 0.00 39.33 40.29 1jws h ASP 160 CO 0.06 -0.35 0.24 0.40 -0.00 0.00 0.00 179.24 179.59 1jws h ILE 161 N -0.47 0.66 -0.51 2.25 5.03 -0.91 -0.29 117.51 123.27 1jws h ILE 161 Ca 0.03 -0.13 -0.10 0.00 -0.12 0.00 0.00 64.86 64.53 1jws h ILE 161 Cb 0.49 0.24 -0.02 0.00 -3.03 0.00 0.00 36.82 34.51 1jws h ILE 161 CO -0.14 0.07 -0.08 0.11 -0.68 0.00 0.00 178.15 177.43 1jws h LYS 162 N 0.39 0.93 -0.04 2.37 1.57 -0.69 0.22 116.57 121.32 1jws h LYS 162 Ca 0.37 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1jws h LYS 162 Cb 0.55 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 1jws h LYS 162 CO -0.39 0.97 0.00 0.00 -0.57 0.00 0.00 179.45 179.46 1jws h ALA 163 N 1.06 0.06 -0.85 3.86 0.00 0.18 -2.67 119.26 120.90 1jws h ALA 163 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1jws h ALA 163 Cb 0.61 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1jws h ALA 163 CO 0.04 -0.28 0.40 0.00 0.00 0.00 0.00 179.25 179.41 1jws h ARG 164 N -0.21 1.22 -0.49 0.00 3.08 -1.00 -0.69 114.38 116.29 1jws h ARG 164 Ca 0.01 -0.18 0.06 0.00 0.07 0.00 0.00 59.98 59.94 1jws h ARG 164 Cb 0.31 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 1jws h ARG 164 CO 0.00 0.94 0.19 -0.97 -1.07 0.00 0.00 179.97 179.06 1jws h ASN 165 N 1.21 0.22 0.08 7.04 -1.24 -0.88 -0.06 115.58 121.95 1jws h ASN 165 Ca 0.29 0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.35 1jws h ASN 165 Cb 0.12 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1jws h ASN 165 CO -0.04 0.16 -0.04 0.15 -1.29 0.00 0.00 177.43 176.37 1jws h PHE 166 N 0.38 -0.10 0.00 0.67 3.57 -1.07 -2.74 116.94 117.65 1jws h PHE 166 Ca 0.23 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1jws h PHE 166 Cb 0.22 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1jws h PHE 166 CO -0.15 0.08 0.00 1.28 -2.23 0.00 0.00 178.31 177.29 1jws n LEU 167 N -5.06 0.62 0.10 0.59 4.77 -0.32 -0.95 117.00 116.74 1jws n LEU 167 Ca -0.08 0.74 -0.17 0.00 -0.03 0.00 0.00 56.01 56.46 1jws n LEU 167 Cb 0.14 -0.76 -0.14 0.00 -2.33 0.00 0.00 43.42 40.33 1jws n LEU 167 CO 0.33 -0.84 -0.16 0.40 -1.33 0.00 0.00 177.39 175.79 1jws h ILE 168 N 0.00 1.36 0.15 -0.08 2.04 -0.72 -0.93 117.51 119.32 1jws h ILE 168 Ca 0.00 -2.94 -0.30 0.00 1.00 0.00 0.00 64.86 62.62 1jws h ILE 168 Cb 0.12 2.90 0.01 0.00 -0.74 0.00 0.00 36.82 39.11 1jws h ILE 168 CO 0.00 0.86 -1.42 0.78 0.00 0.00 0.00 178.15 178.37 1jws h ASN 169 N 0.08 0.48 -0.21 1.72 2.35 -0.99 -2.94 115.58 116.07 1jws h ASN 169 Ca -0.18 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 54.99 1jws h ASN 169 Cb 2.01 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 40.23 1jws h ASN 169 CO 0.20 1.46 0.00 0.29 -1.65 0.00 0.00 177.43 177.73 1jws n LYS 170 N -3.53 2.14 -0.19 0.81 4.76 -0.13 -4.59 118.16 117.43 1jws n LYS 170 Ca -0.14 -1.97 0.00 0.00 -2.87 0.00 0.00 58.31 53.33 1jws n LYS 170 Cb 1.05 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.81 1jws n LYS 170 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1jws n LYS 171 N 1.23 0.00 -4.07 1.97 4.76 -0.91 -5.02 118.16 116.12 1jws n LYS 171 Ca 0.15 -0.17 -0.29 0.00 -2.87 0.00 0.00 58.31 55.13 1jws n LYS 171 Cb 0.53 -0.13 -0.03 0.00 -1.84 0.00 0.00 35.03 33.56 1jws n LYS 171 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jws n ASN 172 N 0.00 -0.81 -0.35 4.39 3.02 -1.04 -4.78 115.26 115.70 1jws n ASN 172 Ca 0.00 -1.05 0.30 0.00 -0.03 0.00 0.00 54.58 53.80 1jws n ASN 172 Cb 0.52 -2.78 0.62 0.00 -0.61 0.00 0.00 39.78 37.54 1jws n ASN 172 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1jws h LEU 173 N -1.75 0.25 -7.67 3.41 5.85 -1.34 -3.40 115.31 110.66 1jws h LEU 173 Ca -0.63 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.02 1jws h LEU 173 Cb 1.38 0.02 -0.20 0.00 0.37 0.00 0.00 40.66 42.23 1jws h LEU 173 CO 0.67 0.02 -0.40 -0.31 -0.34 0.00 0.00 178.44 178.08 1jws s TYR 174 N -5.25 -0.03 0.27 1.25 1.51 -1.26 -4.64 117.35 109.19 1jws s TYR 174 Ca -0.07 -0.02 0.02 0.00 -1.01 0.00 0.00 57.07 55.99 1jws s TYR 174 Cb 0.25 0.00 -0.04 0.00 -0.11 0.00 0.00 41.96 42.06 1jws s TYR 174 CO 0.81 -0.34 0.15 -1.21 -1.11 0.00 0.00 175.55 173.84 1jws s GLU 175 N -1.55 1.48 0.13 -0.62 2.02 -1.13 -4.98 118.70 114.05 1jws s GLU 175 Ca -0.13 -1.83 -0.29 0.00 0.02 0.00 0.00 54.97 52.75 1jws s GLU 175 Cb -0.06 -0.01 -0.08 0.00 0.10 0.00 0.00 34.13 34.08 1jws s GLU 175 CO 0.02 -0.42 1.49 0.35 0.02 0.00 0.00 175.26 176.72 1jws h PHE 176 N 2.33 -1.65 -3.26 1.61 3.57 -1.94 -2.99 116.94 114.62 1jws h PHE 176 Ca -0.34 0.10 -0.66 0.00 3.53 0.00 0.00 57.97 60.59 1jws h PHE 176 Cb 1.25 0.81 -0.34 0.00 2.79 0.00 0.00 35.95 40.46 1jws h PHE 176 CO 0.82 -0.38 -0.87 0.54 -2.23 0.00 0.00 178.31 176.19 1jws s ASN 177 N -5.08 3.01 0.29 0.41 4.22 -1.26 0.20 114.94 116.73 1jws s ASN 177 Ca -0.12 -0.57 0.00 0.00 -2.14 0.00 0.00 52.86 50.04 1jws s ASN 177 Cb 0.09 -1.39 0.00 0.00 1.28 0.00 0.00 41.25 41.23 1jws s ASN 177 CO 0.56 0.10 0.00 -0.24 -2.04 0.00 0.00 177.10 175.48 1jws n SER 178 N 3.89 -6.08 -4.11 3.54 2.88 -1.26 -4.85 113.62 107.63 1jws n SER 178 Ca -0.20 0.57 -0.14 0.00 -1.33 0.00 0.00 58.87 57.77 1jws n SER 178 Cb 0.52 -3.19 -0.11 0.00 -0.75 0.00 0.00 64.21 60.68 1jws n SER 178 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1jws s SER 179 N -6.11 1.16 0.60 -3.46 0.15 -1.26 -2.86 113.70 101.92 1jws s SER 179 Ca 0.00 -0.65 0.37 0.00 0.70 0.00 0.00 55.95 56.37 1jws s SER 179 Cb 0.00 0.02 1.88 0.00 -1.71 0.00 0.00 66.02 66.21 1jws s SER 179 CO 0.00 -0.21 2.19 -0.65 1.20 0.00 0.00 173.24 175.77 1jws h PRO 180 N 4.16 0.00 -5.97 5.44 0.11 -1.82 -3.42 132.00 130.49 1jws h PRO 180 Ca -0.37 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.07 1jws h PRO 180 Cb 1.19 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.18 1jws h PRO 180 CO 0.45 0.03 -0.60 0.71 -0.21 0.00 0.00 178.00 178.38 1jws s TYR 181 N -4.07 3.23 -0.10 0.65 1.51 -1.26 -4.49 117.35 112.82 1jws s TYR 181 Ca -0.03 0.22 -0.26 0.00 -1.01 0.00 0.00 57.07 55.98 1jws s TYR 181 Cb 0.12 -1.77 -0.26 0.00 -0.11 0.00 0.00 41.96 39.94 1jws s TYR 181 CO 0.50 0.52 0.88 1.49 -1.11 0.00 0.00 175.55 177.83 1jws h GLU 182 N 4.75 0.10 -4.71 -0.62 4.57 0.59 -3.42 114.58 115.84 1jws h GLU 182 Ca -0.51 -0.14 -0.24 0.00 -1.18 0.00 0.00 59.36 57.30 1jws h GLU 182 Cb 1.19 0.05 -0.15 0.00 -0.16 0.00 0.00 28.75 29.68 1jws h GLU 182 CO 0.57 1.00 -0.69 0.95 -1.18 0.00 0.00 179.01 179.66 1jws s THR 183 N -2.58 0.73 -0.28 0.32 -4.23 -1.19 0.33 115.64 108.73 1jws s THR 183 Ca -0.17 -1.95 -0.24 0.00 -1.18 0.00 0.00 61.69 58.15 1jws s THR 183 Cb -0.01 -1.76 0.13 0.00 1.34 0.00 0.00 72.50 72.20 1jws s THR 183 CO 0.73 -0.81 1.08 -0.83 -0.54 0.00 0.00 174.62 174.25 1jws s GLY 184 N -3.07 -0.07 -0.01 3.99 0.00 -1.26 -1.30 107.32 105.59 1jws s GLY 184 Ca 0.14 2.83 -0.07 0.00 0.00 0.00 0.00 44.72 47.61 1jws s GLY 184 CO -0.03 1.92 0.16 -2.52 0.00 0.00 0.00 173.10 172.63 1jws s TYR 185 N 0.31 -0.02 -0.15 1.90 -0.85 -0.80 0.29 117.35 118.03 1jws s TYR 185 Ca 0.03 0.02 -0.05 0.00 -0.52 0.00 0.00 57.07 56.55 1jws s TYR 185 Cb -0.05 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 1jws s TYR 185 CO -0.08 -0.25 0.03 -1.50 -1.52 0.00 0.00 175.55 172.22 1jws s ILE 186 N -1.05 4.48 -0.03 -3.49 2.07 -0.49 -0.99 121.20 121.70 1jws s ILE 186 Ca -0.11 -0.15 0.07 0.00 -1.41 0.00 0.00 60.65 59.04 1jws s ILE 186 Cb -0.06 -2.97 -0.02 0.00 0.13 0.00 0.00 42.46 39.54 1jws s ILE 186 CO 0.01 0.51 -0.24 -0.75 -1.91 0.00 0.00 174.94 172.56 1jws s LYS 187 N -0.01 2.23 -0.09 3.50 2.20 0.24 -0.91 119.74 126.90 1jws s LYS 187 Ca 0.04 -0.90 0.02 0.00 -0.36 0.00 0.00 55.97 54.77 1jws s LYS 187 Cb -0.13 -2.10 -0.02 0.00 -1.51 0.00 0.00 37.83 34.07 1jws s LYS 187 CO 0.02 0.54 -0.14 -0.06 -0.36 0.00 0.00 175.35 175.35 1jws s PHE 188 N -0.55 2.75 -0.19 4.03 0.40 0.10 -0.92 117.98 123.59 1jws s PHE 188 Ca 0.08 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1jws s PHE 188 Cb -0.11 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.72 1jws s PHE 188 CO -0.00 -0.03 -0.15 0.42 0.70 0.00 0.00 175.22 176.16 1jws s ILE 189 N -0.16 1.88 0.32 0.64 1.09 0.80 -2.20 121.20 123.57 1jws s ILE 189 Ca -0.01 -1.02 -0.08 0.00 -1.10 0.00 0.00 60.65 58.44 1jws s ILE 189 Cb -0.13 -1.83 -0.06 0.00 -1.06 0.00 0.00 42.46 39.38 1jws s ILE 189 CO 0.03 0.33 0.63 -1.61 -0.10 0.00 0.00 174.94 174.22 1jws s GLU 190 N 1.32 3.72 0.21 2.79 2.02 0.74 -0.89 118.70 128.62 1jws s GLU 190 Ca 0.01 0.22 0.11 0.00 0.02 0.00 0.00 54.97 55.34 1jws s GLU 190 Cb -0.15 -2.56 0.62 0.00 0.10 0.00 0.00 34.13 32.14 1jws s GLU 190 CO -0.10 0.15 1.28 0.27 0.02 0.00 0.00 175.26 176.89 1jws n ASN 191 N -0.88 0.29 -1.06 -0.19 0.23 -1.26 -0.21 115.26 112.18 1jws n ASN 191 Ca 0.00 0.57 0.12 0.00 -0.53 0.00 0.00 54.58 54.74 1jws n ASN 191 Cb 0.54 -0.58 0.22 0.00 -2.08 0.00 0.00 39.78 37.88 1jws n ASN 191 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1jws n ASN 192 N -1.89 3.18 0.00 0.53 0.23 -1.26 -4.94 115.26 111.11 1jws n ASN 192 Ca -0.01 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.08 1jws n ASN 192 Cb 0.14 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 1jws n ASN 192 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jws n GLY 193 N 1.44 0.53 3.73 4.83 0.00 0.70 -5.05 105.19 111.37 1jws n GLY 193 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1jws n GLY 193 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jws s ASN 194 N -2.44 7.16 0.09 1.61 2.47 -1.25 -4.78 114.94 117.80 1jws s ASN 194 Ca 0.00 2.13 0.04 0.00 0.42 0.00 0.00 52.86 55.45 1jws s ASN 194 Cb 0.00 -2.60 -0.03 0.00 -1.45 0.00 0.00 41.25 37.17 1jws s ASN 194 CO 0.00 -0.33 -0.11 0.42 -3.72 0.00 0.00 177.10 173.36 1jws s THR 195 N 0.12 0.97 0.12 -5.21 -4.23 -1.26 -0.18 115.64 105.97 1jws s THR 195 Ca 0.53 -1.57 -0.24 0.00 -1.18 0.00 0.00 61.69 59.23 1jws s THR 195 Cb -0.31 -1.29 0.07 0.00 1.34 0.00 0.00 72.50 72.32 1jws s THR 195 CO 0.34 -0.49 0.62 0.72 -0.54 0.00 0.00 174.62 175.27 1jws s PHE 196 N -2.19 -0.55 0.04 3.99 -0.12 -0.94 -1.87 117.98 116.33 1jws s PHE 196 Ca 0.04 0.45 -0.05 0.00 -0.05 0.00 0.00 56.93 57.33 1jws s PHE 196 Cb -0.04 0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 1jws s PHE 196 CO 0.01 -0.80 0.07 1.67 -0.05 0.00 0.00 175.22 176.11 1jws s TRP 197 N -3.32 0.23 -0.07 3.49 1.48 -1.26 0.02 118.94 119.50 1jws s TRP 197 Ca -0.01 -0.54 0.05 0.00 -1.06 0.00 0.00 56.10 54.54 1jws s TRP 197 Cb -0.01 -0.17 -0.01 0.00 -1.16 0.00 0.00 33.47 32.13 1jws s TRP 197 CO -0.09 -0.34 -0.23 0.71 -4.06 0.00 0.00 176.95 172.94 1jws s TYR 198 N -2.53 2.52 -0.23 1.66 4.12 -0.09 -4.94 117.35 117.86 1jws s TYR 198 Ca -0.06 -0.76 -0.29 0.00 0.02 0.00 0.00 57.07 55.99 1jws s TYR 198 Cb -0.02 -1.65 -0.02 0.00 -1.52 0.00 0.00 41.96 38.76 1jws s TYR 198 CO -0.04 -0.24 1.45 0.34 0.02 0.00 0.00 175.55 177.08 1jws s ASP 199 N -0.03 6.60 -0.00 2.29 -1.08 -1.26 -1.40 116.67 121.79 1jws s ASP 199 Ca -0.07 1.53 0.02 0.00 -0.52 0.00 0.00 52.55 53.51 1jws s ASP 199 Cb -0.15 -2.54 0.05 0.00 -1.46 0.00 0.00 42.92 38.82 1jws s ASP 199 CO 0.05 -1.09 1.00 0.23 0.52 0.00 0.00 175.17 175.89 1jws n MET 200 N 7.32 1.13 -4.98 4.34 2.81 0.14 -4.84 117.12 123.05 1jws n MET 200 Ca 0.16 -0.19 -0.29 0.00 -1.81 0.00 0.00 57.70 55.57 1jws n MET 200 Cb 0.45 -1.08 -0.15 0.00 -0.71 0.00 0.00 33.22 31.73 1jws n MET 200 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1jws s MET 201 N -1.87 1.81 0.52 0.03 -1.94 -1.25 -4.90 119.30 111.71 1jws s MET 201 Ca 0.04 -1.01 -0.22 0.00 -1.71 0.00 0.00 55.69 52.78 1jws s MET 201 Cb 0.02 -1.90 -0.06 0.00 2.01 0.00 0.00 34.83 34.90 1jws s MET 201 CO 0.02 0.50 1.32 -1.25 -0.01 0.00 0.00 175.02 175.60 1jws s PRO 202 N -1.01 3.33 0.75 2.03 0.04 -1.26 -4.78 135.00 134.10 1jws s PRO 202 Ca 0.10 2.15 -0.15 0.00 0.04 0.00 0.00 61.00 63.15 1jws s PRO 202 Cb -0.10 -2.33 0.05 0.00 0.04 0.00 0.00 34.50 32.16 1jws s PRO 202 CO 0.01 -1.01 1.21 0.00 0.04 0.00 0.00 177.00 177.25 1jws s ALA 203 N -1.35 2.05 0.68 8.56 0.00 -1.26 -4.64 121.76 125.80 1jws s ALA 203 Ca 0.69 0.87 -0.17 0.00 0.00 0.00 0.00 51.96 53.35 1jws s ALA 203 Cb -0.38 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.27 1jws s ALA 203 CO 0.46 -1.99 1.26 -1.25 0.00 0.00 0.00 175.76 174.24 1jws s PRO 204 N -3.97 2.39 0.00 0.00 0.04 -1.26 -4.76 135.00 127.44 1jws s PRO 204 Ca 0.74 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.72 1jws s PRO 204 Cb -0.29 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1jws s PRO 204 CO 0.47 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 176.23 1jws n GLY 205 N 0.71 0.75 0.56 0.56 0.00 -0.42 -4.87 105.19 102.49 1jws n GLY 205 Ca 0.15 -2.04 0.08 0.00 0.00 0.00 0.00 46.02 44.21 1jws n GLY 205 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jws n ASP 206 N 1.49 2.13 -4.01 1.61 5.68 -1.26 0.12 116.55 122.30 1jws n ASP 206 Ca 0.00 -1.56 -0.18 0.00 -0.50 0.00 0.00 54.79 52.55 1jws n ASP 206 Cb 0.00 0.18 -0.14 0.00 -1.14 0.00 0.00 41.12 40.01 1jws n ASP 206 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1jws s LYS 207 N -1.61 0.64 -0.30 0.11 1.02 -1.26 -3.52 119.74 114.82 1jws s LYS 207 Ca 0.17 -0.32 -0.06 0.00 0.02 0.00 0.00 55.97 55.78 1jws s LYS 207 Cb 0.14 -0.61 0.02 0.00 -0.52 0.00 0.00 37.83 36.86 1jws s LYS 207 CO 0.29 0.16 0.07 0.12 -0.92 0.00 0.00 175.35 175.08 1jws s PHE 208 N -0.27 3.17 -0.85 3.18 5.36 -1.26 -4.92 117.98 122.39 1jws s PHE 208 Ca 0.02 -1.17 -0.24 0.00 -0.96 0.00 0.00 56.93 54.58 1jws s PHE 208 Cb -0.04 -2.24 0.05 0.00 -0.34 0.00 0.00 43.02 40.45 1jws s PHE 208 CO -0.00 -0.64 1.29 0.34 -1.46 0.00 0.00 175.22 174.75 1jws s ASP 209 N 1.45 6.32 0.25 6.13 -1.08 -1.26 -4.88 116.67 123.61 1jws s ASP 209 Ca 0.01 -1.01 -0.05 0.00 -0.52 0.00 0.00 52.55 50.99 1jws s ASP 209 Cb -0.18 -2.53 0.33 0.00 -1.46 0.00 0.00 42.92 39.08 1jws s ASP 209 CO 0.02 -1.61 1.89 1.56 0.52 0.00 0.00 175.17 177.54 1jws h GLN 210 N 9.80 1.13 -0.40 4.34 4.20 -1.93 -0.81 115.11 131.44 1jws h GLN 210 Ca -0.07 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.46 1jws h GLN 210 Cb 1.04 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1jws h GLN 210 CO 1.31 0.75 -0.20 1.03 -0.67 0.00 0.00 178.83 181.05 1jws h SER 211 N 1.17 0.88 -0.44 1.46 0.87 -1.89 -1.25 113.55 114.34 1jws h SER 211 Ca 0.39 -0.41 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 1jws h SER 211 Cb 0.07 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1jws h SER 211 CO -0.14 1.09 0.07 0.50 -0.53 0.00 0.00 176.83 177.82 1jws h LYS 212 N 0.67 0.74 0.71 2.24 3.64 -1.89 -0.86 116.57 121.81 1jws h LYS 212 Ca 0.09 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1jws h LYS 212 Cb 0.76 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1jws h LYS 212 CO 0.06 0.76 -0.36 -0.92 -2.27 0.00 0.00 179.45 176.72 1jws h TYR 213 N 0.60 -0.95 -0.00 1.91 3.20 -1.08 -2.81 116.97 117.84 1jws h TYR 213 Ca 0.13 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1jws h TYR 213 Cb 0.39 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 1jws h TYR 213 CO 0.03 -0.58 0.00 -0.07 -1.64 0.00 0.00 178.16 175.90 1jws h LEU 214 N -0.99 0.00 -1.93 2.82 3.38 -1.18 -2.80 115.31 114.62 1jws h LEU 214 Ca -0.10 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1jws h LEU 214 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1jws h LEU 214 CO 0.14 0.00 0.42 -0.03 0.09 0.00 0.00 178.44 179.07 1jws h MET 215 N 0.00 0.00 -0.02 1.13 4.05 -0.87 -0.87 114.93 118.35 1jws h MET 215 Ca 0.00 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1jws h MET 215 Cb 0.00 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1jws h MET 215 CO -0.00 0.00 0.03 0.00 0.23 0.00 0.00 176.91 177.17 1jws h MET 216 N 0.00 0.00 0.00 0.39 -0.00 -1.66 0.18 114.93 113.84 1jws h MET 216 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.82 1jws h MET 216 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.56 1jws h MET 216 CO -0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.91 177.57 1jws n TYR 217 N -3.64 0.00 -0.27 -0.10 0.53 -0.33 -3.94 117.16 109.41 1jws n TYR 217 Ca -0.02 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 56.85 1jws n TYR 217 Cb 0.12 0.00 0.06 0.00 -1.03 0.00 0.00 39.34 38.48 1jws n TYR 217 CO 0.00 0.00 0.00 -0.97 -1.02 0.00 0.00 176.86 174.87 1jws h ASN 218 N 0.00 -1.00 0.02 7.72 -0.00 -0.84 -1.38 115.58 120.11 1jws h ASN 218 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 56.30 56.55 1jws h ASN 218 Cb 0.00 0.57 0.00 0.00 -0.00 0.00 0.00 38.32 38.89 1jws h ASN 218 CO 0.00 -0.28 0.00 -0.90 -0.00 0.00 0.00 177.43 176.25 1jws n ASP 219 N -5.48 0.07 -2.41 1.15 5.68 -1.25 -1.99 116.55 112.32 1jws n ASP 219 Ca 0.09 0.53 -0.15 0.00 -0.50 0.00 0.00 54.79 54.76 1jws n ASP 219 Cb 0.39 -0.54 -0.01 0.00 -1.14 0.00 0.00 41.12 39.82 1jws n ASP 219 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1jws n ASN 220 N -1.60 -4.57 -4.68 -1.12 5.15 -0.52 -4.82 115.26 103.10 1jws n ASN 220 Ca -0.00 0.13 -0.50 0.00 -0.60 0.00 0.00 54.58 53.60 1jws n ASN 220 Cb 0.01 -3.85 -0.05 0.00 -0.53 0.00 0.00 39.78 35.35 1jws n ASN 220 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1jws n LYS 221 N -2.86 1.82 -4.38 1.20 0.00 -1.26 -4.88 118.16 107.80 1jws n LYS 221 Ca -0.18 0.67 -0.27 0.00 0.00 0.00 0.00 58.31 58.53 1jws n LYS 221 Cb 0.64 -2.44 -0.11 0.00 0.00 0.00 0.00 35.03 33.12 1jws n LYS 221 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1jws s THR 222 N 2.98 2.61 0.21 3.15 -4.23 -1.26 -0.70 115.64 118.40 1jws s THR 222 Ca 0.91 -1.90 -0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1jws s THR 222 Cb -0.81 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 1jws s THR 222 CO 0.52 -0.10 0.11 0.68 -0.54 0.00 0.00 174.62 175.29 1jws s VAL 223 N -1.64 0.17 -0.44 2.29 -7.23 0.21 -4.86 120.40 108.89 1jws s VAL 223 Ca 0.22 -1.99 -0.25 0.00 -1.81 0.00 0.00 61.98 58.15 1jws s VAL 223 Cb -0.08 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1jws s VAL 223 CO 0.11 -0.07 0.89 -0.62 -0.31 0.00 0.00 175.10 175.11 1jws s ASP 224 N -3.19 6.51 0.54 4.85 2.15 -1.26 -0.31 116.67 125.96 1jws s ASP 224 Ca 0.37 0.16 0.22 0.00 0.43 0.00 0.00 52.55 53.72 1jws s ASP 224 Cb 0.07 -2.44 1.39 0.00 -0.30 0.00 0.00 42.92 41.64 1jws s ASP 224 CO 0.11 -0.98 2.09 0.77 -0.17 0.00 0.00 175.17 176.98 1jws h SER 225 N 8.95 0.00 1.76 -0.34 4.64 -1.22 -0.36 113.55 126.98 1jws h SER 225 Ca -0.24 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1jws h SER 225 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1jws h SER 225 CO 1.00 0.00 -0.01 0.07 -0.87 0.00 0.00 176.83 177.02 1jws h LYS 226 N 0.00 0.00 0.00 4.77 2.10 -1.87 -3.38 116.57 118.18 1jws h LYS 226 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1jws h LYS 226 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1jws h LYS 226 CO -0.00 0.01 -0.94 -1.13 -2.00 0.00 0.00 179.45 175.39 1jws n SER 227 N -3.10 4.67 -4.74 7.07 3.41 -0.86 -5.06 113.62 115.00 1jws n SER 227 Ca 0.03 -0.03 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1jws n SER 227 Cb 0.48 1.00 0.05 0.00 -0.26 0.00 0.00 64.21 65.49 1jws n SER 227 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jws s VAL 228 N -1.94 2.27 -0.03 -3.33 0.11 -0.20 -4.38 120.40 112.90 1jws s VAL 228 Ca -0.00 0.17 0.03 0.00 -2.93 0.00 0.00 61.98 59.25 1jws s VAL 228 Cb 0.00 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 1jws s VAL 228 CO 0.00 -0.03 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.09 1jws s LYS 229 N -3.30 1.21 -0.01 1.54 -0.14 -0.07 -4.48 119.74 114.48 1jws s LYS 229 Ca 0.79 -0.39 0.04 0.00 -1.36 0.00 0.00 55.97 55.06 1jws s LYS 229 Cb -0.35 -1.09 -0.03 0.00 -1.68 0.00 0.00 37.83 34.67 1jws s LYS 229 CO 0.38 0.15 -0.13 0.42 -0.76 0.00 0.00 175.35 175.41 1jws s ILE 230 N 0.16 3.18 -0.05 2.17 1.09 -0.62 -0.14 121.20 127.00 1jws s ILE 230 Ca -0.04 -0.85 0.01 0.00 -1.10 0.00 0.00 60.65 58.67 1jws s ILE 230 Cb -0.10 -2.31 0.02 0.00 -1.06 0.00 0.00 42.46 39.01 1jws s ILE 230 CO 0.01 0.47 -0.05 -1.61 -0.10 0.00 0.00 174.94 173.66 1jws s GLU 231 N -1.11 0.89 -0.32 2.79 2.02 -0.10 -1.82 118.70 121.05 1jws s GLU 231 Ca 0.14 -0.12 -0.02 0.00 0.02 0.00 0.00 54.97 54.98 1jws s GLU 231 Cb -0.11 -0.89 0.06 0.00 0.10 0.00 0.00 34.13 33.29 1jws s GLU 231 CO 0.04 -0.08 0.04 0.08 0.02 0.00 0.00 175.26 175.36 1jws s VAL 232 N 0.93 3.13 -0.47 2.63 1.01 -0.52 0.82 120.40 127.93 1jws s VAL 232 Ca -0.11 -1.45 -0.17 0.00 0.00 0.00 0.00 61.98 60.25 1jws s VAL 232 Cb -0.14 -2.85 0.05 0.00 0.00 0.00 0.00 36.38 33.45 1jws s VAL 232 CO 0.00 -0.20 0.48 -1.00 0.00 0.00 0.00 175.10 174.38 1jws s HIS 233 N 1.25 3.16 0.26 5.22 3.76 -0.16 0.40 115.29 129.19 1jws s HIS 233 Ca -0.03 -0.67 0.07 0.00 -0.15 0.00 0.00 55.06 54.28 1jws s HIS 233 Cb -0.20 -3.21 -0.03 0.00 1.11 0.00 0.00 32.58 30.25 1jws s HIS 233 CO -0.01 -0.85 0.24 -0.51 -0.85 0.00 0.00 174.74 172.76 1jws s LEU 234 N 2.07 3.86 -0.11 0.89 1.43 0.54 -1.90 118.68 125.47 1jws s LEU 234 Ca 0.09 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.86 1jws s LEU 234 Cb -0.21 -2.41 0.03 0.00 0.03 0.00 0.00 46.19 43.63 1jws s LEU 234 CO 0.10 -0.10 0.28 0.42 0.23 0.00 0.00 176.35 177.29 1jws s THR 235 N -2.14 0.00 0.37 5.49 -4.23 -0.42 -0.78 115.64 113.94 1jws s THR 235 Ca 0.34 -0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.79 1jws s THR 235 Cb -0.08 -0.40 -0.05 0.00 1.34 0.00 0.00 72.50 73.31 1jws s THR 235 CO 0.26 -0.00 0.67 0.42 -0.54 0.00 0.00 174.62 175.43 1jws s THR 236 N 0.14 4.93 0.09 3.99 -4.23 -1.26 0.11 115.64 119.42 1jws s THR 236 Ca -0.00 0.20 -0.35 0.00 -1.18 0.00 0.00 61.69 60.36 1jws s THR 236 Cb -0.02 -3.78 -0.16 0.00 1.34 0.00 0.00 72.50 69.88 1jws s THR 236 CO 0.00 -0.53 1.56 0.50 -0.54 0.00 0.00 174.62 175.62 1jws h LYS 237 N 1.12 -0.89 0.04 3.99 3.64 -1.91 -3.30 116.57 119.28 1jws h LYS 237 Ca -0.48 0.06 -0.31 0.00 -1.27 0.00 0.00 60.65 58.66 1jws h LYS 237 Cb 1.20 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 33.18 1jws h LYS 237 CO 0.64 -0.59 -1.75 -2.95 -2.27 0.00 0.00 179.45 172.53 1jws h ASN 238 N -0.92 0.14 0.00 4.20 7.08 -1.98 -3.49 115.58 120.61 1jws h ASN 238 Ca -0.04 -0.30 0.00 0.00 -3.08 0.00 0.00 56.30 52.88 1jws h ASN 238 Cb 0.84 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 37.03 1jws h ASN 238 CO -0.14 1.27 0.00 0.61 -2.08 0.00 0.00 177.43 177.09