#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwk s TYR 78 N 0.00 3.46 -0.16 3.69 -0.85 -1.26 -4.96 117.35 117.27 1jwk s TYR 78 Ca 0.00 1.43 -0.06 0.00 -0.52 0.00 0.00 57.07 57.92 1jwk s TYR 78 Cb 0.00 -2.76 -0.04 0.00 0.38 0.00 0.00 41.96 39.54 1jwk s TYR 78 CO 0.00 -0.36 0.06 0.08 -1.52 0.00 0.00 175.55 173.81 1jwk s VAL 79 N -2.62 4.80 -0.12 -3.49 1.01 -0.31 -4.87 120.40 114.80 1jwk s VAL 79 Ca 0.58 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 1jwk s VAL 79 Cb -0.10 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1jwk s VAL 79 CO 0.32 0.51 0.25 0.00 0.00 0.00 0.00 175.10 176.18 1jwk s ARG 80 N -0.06 3.92 -0.02 2.72 3.03 -1.26 0.22 118.95 127.50 1jwk s ARG 80 Ca 0.06 0.05 0.06 0.00 2.03 0.00 0.00 55.73 57.94 1jwk s ARG 80 Cb -0.12 -3.31 -0.01 0.00 -1.03 0.00 0.00 34.95 30.48 1jwk s ARG 80 CO 0.01 0.52 -0.19 0.96 -1.13 0.00 0.00 175.30 175.47 1jwk s ILE 81 N -0.36 1.50 -0.01 4.99 -0.00 -0.75 -5.00 121.20 121.57 1jwk s ILE 81 Ca 0.17 -0.81 0.03 0.00 -0.00 0.00 0.00 60.65 60.03 1jwk s ILE 81 Cb -0.13 -1.25 -0.03 0.00 -0.00 0.00 0.00 42.46 41.04 1jwk s ILE 81 CO 0.05 0.43 -0.06 -0.75 -0.00 0.00 0.00 174.94 174.61 1jwk s LYS 82 N -0.43 2.61 -0.65 0.37 2.20 -1.26 -1.76 119.74 120.82 1jwk s LYS 82 Ca 0.07 -0.68 -0.10 0.00 -0.36 0.00 0.00 55.97 54.91 1jwk s LYS 82 Cb -0.07 -2.54 0.17 0.00 -1.51 0.00 0.00 37.83 33.88 1jwk s LYS 82 CO -0.01 0.62 0.54 1.21 -0.36 0.00 0.00 175.35 177.35 1jwk s ASN 83 N -1.31 6.00 0.00 1.43 3.04 -0.45 -1.80 114.94 121.85 1jwk s ASN 83 Ca 0.16 -2.44 0.00 0.00 0.04 0.00 0.00 52.86 50.62 1jwk s ASN 83 Cb -0.11 -2.06 0.00 0.00 -1.54 0.00 0.00 41.25 37.54 1jwk s ASN 83 CO 0.07 -0.58 0.95 0.79 -3.04 0.00 0.00 177.10 175.29 1jwk n TRP 84 N 4.21 0.00 -0.07 0.43 7.02 -0.52 0.12 117.44 128.63 1jwk n TRP 84 Ca 0.04 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.42 1jwk n TRP 84 Cb 0.42 -0.45 -0.06 0.00 -2.42 0.00 0.00 31.31 28.80 1jwk n TRP 84 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1jwk h GLY 85 N 0.00 0.00 0.54 6.99 0.00 -1.92 -3.39 103.07 105.29 1jwk h GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jwk h GLY 85 CO 0.00 0.00 -1.02 -1.14 0.00 0.00 0.00 176.54 174.38 1jwk n SER 86 N -4.62 0.62 0.00 0.19 3.41 -1.06 -4.97 113.62 107.20 1jwk n SER 86 Ca -0.12 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 1jwk n SER 86 Cb 0.34 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 1jwk n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jwk n GLY 87 N 1.39 2.28 3.71 5.00 0.00 0.33 -5.02 105.19 112.89 1jwk n GLY 87 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1jwk n GLY 87 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jwk n GLU 88 N -2.00 1.61 -4.97 1.61 2.13 -1.23 -4.65 120.64 113.13 1jwk n GLU 88 Ca 0.00 0.59 -0.31 0.00 0.66 0.00 0.00 57.16 58.10 1jwk n GLU 88 Cb 0.00 -2.47 -0.14 0.00 0.27 0.00 0.00 31.44 29.10 1jwk n GLU 88 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1jwk s ILE 89 N -1.30 2.51 0.07 6.31 -1.09 -1.26 -1.33 121.20 125.10 1jwk s ILE 89 Ca 0.70 -1.08 0.06 0.00 -2.23 0.00 0.00 60.65 58.10 1jwk s ILE 89 Cb -0.44 -1.97 -0.03 0.00 -1.58 0.00 0.00 42.46 38.45 1jwk s ILE 89 CO 0.50 0.49 -0.15 -0.76 -1.23 0.00 0.00 174.94 173.79 1jwk s LEU 90 N -0.95 2.27 -0.26 2.97 1.43 -0.72 -5.01 118.68 118.40 1jwk s LEU 90 Ca 0.12 -0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 1jwk s LEU 90 Cb -0.10 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.54 1jwk s LEU 90 CO 0.01 -0.04 0.02 -1.00 0.23 0.00 0.00 176.35 175.57 1jwk s HIS 91 N -1.20 3.08 -0.27 0.29 3.76 -1.26 -1.82 115.29 117.88 1jwk s HIS 91 Ca -0.00 -1.09 -0.16 0.00 -0.15 0.00 0.00 55.06 53.66 1jwk s HIS 91 Cb -0.10 -2.17 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 1jwk s HIS 91 CO 0.02 -0.60 0.43 0.34 -0.85 0.00 0.00 174.74 174.09 1jwk s ASP 92 N 1.46 6.32 -0.00 1.40 -1.08 0.13 -4.65 116.67 120.25 1jwk s ASP 92 Ca 0.03 0.34 0.01 0.00 -0.52 0.00 0.00 52.55 52.41 1jwk s ASP 92 Cb -0.16 -2.24 -0.01 0.00 -1.46 0.00 0.00 42.92 39.05 1jwk s ASP 92 CO -0.00 -0.24 0.01 0.35 0.52 0.00 0.00 175.17 175.81 1jwk n THR 93 N 5.15 0.00 0.07 1.71 -2.24 -0.09 -1.17 114.28 117.71 1jwk n THR 93 Ca -0.07 -0.12 0.05 0.00 -2.27 0.00 0.00 64.05 61.64 1jwk n THR 93 Cb 0.50 0.60 0.47 0.00 -2.10 0.00 0.00 70.33 69.80 1jwk n THR 93 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jwk h LEU 94 N 0.00 0.35 -1.66 3.22 5.85 -1.50 -2.84 115.31 118.72 1jwk h LEU 94 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1jwk h LEU 94 Cb 0.02 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1jwk h LEU 94 CO 0.00 0.27 0.15 1.12 -0.34 0.00 0.00 178.44 179.64 1jwk h HIS 95 N 0.40 0.00 0.00 1.25 2.07 -1.84 0.06 115.15 117.10 1jwk h HIS 95 Ca 0.11 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.59 1jwk h HIS 95 Cb -0.01 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.96 1jwk h HIS 95 CO 0.00 0.00 -0.17 0.45 -3.07 0.00 0.00 177.93 175.14 1jwk h HIS 96 N 0.00 0.00 -0.20 6.12 3.86 -1.87 -2.81 115.15 120.25 1jwk h HIS 96 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jwk h HIS 96 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1jwk h HIS 96 CO 0.00 0.17 0.00 1.63 0.86 0.00 0.00 177.93 180.59 1jwk n LYS 97 N -3.34 1.61 -1.52 2.45 5.02 0.01 -4.93 118.16 117.47 1jwk n LYS 97 Ca 0.00 -0.93 -0.29 0.00 -2.02 0.00 0.00 58.31 55.07 1jwk n LYS 97 Cb 0.40 -1.30 0.15 0.00 -0.02 0.00 0.00 35.03 34.25 1jwk n LYS 97 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jwk s ALA 98 N -1.74 1.68 -0.22 7.82 0.00 -1.06 -4.78 121.76 123.45 1jwk s ALA 98 Ca 0.26 -0.61 -0.16 0.00 0.00 0.00 0.00 51.96 51.44 1jwk s ALA 98 Cb 0.13 -3.00 -0.12 0.00 0.00 0.00 0.00 23.12 20.13 1jwk s ALA 98 CO 0.20 -2.43 -0.14 2.41 0.00 0.00 0.00 175.76 175.79 1jwk n THR 99 N -3.87 1.51 0.00 0.00 -1.04 -0.72 -5.01 114.28 105.15 1jwk n THR 99 Ca 0.08 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1jwk n THR 99 Cb 0.59 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 1jwk n THR 99 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1jwk n SER 108 N -4.39 0.00 -4.64 8.00 3.41 -1.26 -5.09 113.62 109.65 1jwk n SER 108 Ca -0.36 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 57.84 1jwk n SER 108 Cb 0.69 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.59 1jwk n SER 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jwk n LEU 110 N 5.83 6.41 0.23 0.00 4.32 -1.26 -4.61 117.00 127.92 1jwk n LEU 110 Ca 0.03 -4.07 0.12 0.00 -0.02 0.00 0.00 56.01 52.07 1jwk n LEU 110 Cb 0.48 -0.79 0.35 0.00 -1.62 0.00 0.00 43.42 41.84 1jwk n LEU 110 CO 0.46 1.40 0.82 1.23 -1.22 0.00 0.00 177.39 180.07 1jwk h GLY 111 N 1.55 0.00 2.00 -0.72 0.00 -2.04 -3.17 103.07 100.69 1jwk h GLY 111 Ca 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.82 1jwk h GLY 111 CO 1.13 0.00 -0.11 0.23 0.00 0.00 0.00 176.54 177.78 1jwk h SER 112 N 0.00 0.00 -2.86 0.19 0.87 -2.03 -3.46 113.55 106.25 1jwk h SER 112 Ca -0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 1jwk h SER 112 Cb 0.87 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.90 1jwk h SER 112 CO 0.01 0.11 0.95 -0.38 -0.53 0.00 0.00 176.83 177.00 1jwk n ILE 113 N -3.13 0.38 0.00 2.23 2.08 -1.20 -4.97 119.36 114.76 1jwk n ILE 113 Ca 0.03 -0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.25 1jwk n ILE 113 Cb 0.57 -1.95 0.00 0.00 -0.75 0.00 0.00 39.64 37.51 1jwk n ILE 113 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 1jwk n MET 114 N 3.26 0.00 -3.89 0.38 1.56 -1.26 -4.32 117.12 112.84 1jwk n MET 114 Ca 0.13 0.53 -0.28 0.00 -0.27 0.00 0.00 57.70 57.81 1jwk n MET 114 Cb 0.35 -1.36 -0.12 0.00 2.15 0.00 0.00 33.22 34.24 1jwk n MET 114 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1jwk s ASN 115 N -2.34 4.72 0.70 6.12 0.01 -1.26 -5.10 114.94 117.77 1jwk s ASN 115 Ca 0.00 -3.78 -0.15 0.00 -0.71 0.00 0.00 52.86 48.22 1jwk s ASN 115 Cb 0.00 -1.61 0.02 0.00 0.41 0.00 0.00 41.25 40.07 1jwk s ASN 115 CO 0.00 -0.10 1.15 -2.16 -1.51 0.00 0.00 177.10 174.48 1jwk s PRO 116 N -1.34 2.47 0.48 -0.60 0.04 -1.26 -4.93 135.00 129.86 1jwk s PRO 116 Ca 0.24 1.54 0.16 0.00 0.04 0.00 0.00 61.00 62.99 1jwk s PRO 116 Cb -0.06 -1.90 1.14 0.00 0.04 0.00 0.00 34.50 33.73 1jwk s PRO 116 CO -0.15 -1.53 2.06 0.87 0.04 0.00 0.00 177.00 178.28 1jwk h LYS 117 N -0.17 0.00 0.00 4.56 1.57 -1.99 -2.36 116.57 118.19 1jwk h LYS 117 Ca -0.47 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1jwk h LYS 117 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 1jwk h LYS 117 CO 0.52 0.11 -0.02 0.66 -0.57 0.00 0.00 179.45 180.14 1jwk h SER 118 N 0.00 0.00 -0.26 0.86 4.64 -2.02 -1.40 113.55 115.36 1jwk h SER 118 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jwk h SER 118 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1jwk h SER 118 CO 0.01 0.02 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 1jwk n LEU 119 N -3.62 2.80 -4.47 5.97 4.77 -0.90 -4.95 117.00 116.61 1jwk n LEU 119 Ca -0.03 -1.52 -0.35 0.00 -0.03 0.00 0.00 56.01 54.07 1jwk n LEU 119 Cb 0.11 -0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 40.91 1jwk n LEU 119 CO 0.26 0.62 -0.31 -0.89 -1.33 0.00 0.00 177.39 175.75 1jwk s THR 120 N -1.13 4.17 -0.43 -5.08 2.01 -0.53 -1.01 115.64 113.63 1jwk s THR 120 Ca 0.25 -0.23 -0.09 0.00 0.31 0.00 0.00 61.69 61.93 1jwk s THR 120 Cb 0.15 -2.91 0.09 0.00 0.01 0.00 0.00 72.50 69.84 1jwk s THR 120 CO 0.20 0.40 0.29 -0.60 -0.69 0.00 0.00 174.62 174.22 1jwk s ARG 121 N 1.15 2.58 0.13 4.92 6.06 0.01 -4.92 118.95 128.88 1jwk s ARG 121 Ca 0.03 -1.54 -0.02 0.00 -2.50 0.00 0.00 55.73 51.70 1jwk s ARG 121 Cb -0.14 -3.83 0.03 0.00 0.06 0.00 0.00 34.95 31.07 1jwk s ARG 121 CO 0.02 -1.02 0.15 0.41 -2.50 0.00 0.00 175.30 172.36 1jwk n GLY 122 N 4.92 -1.70 3.76 8.12 0.00 -1.26 -4.55 105.19 114.48 1jwk n GLY 122 Ca -0.09 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 1jwk n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jwk s PRO 123 N -3.33 0.99 0.10 1.61 0.04 -1.26 -5.00 135.00 128.16 1jwk s PRO 123 Ca 0.09 0.34 -0.09 0.00 0.04 0.00 0.00 61.00 61.38 1jwk s PRO 123 Cb -0.00 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.72 1jwk s PRO 123 CO 0.06 -2.31 0.22 1.03 0.04 0.00 0.00 177.00 176.05 1jwk s ARG 124 N -5.21 0.91 0.00 4.56 0.52 -1.26 -5.06 118.95 113.41 1jwk s ARG 124 Ca 0.64 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 1jwk s ARG 124 Cb -0.16 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.67 1jwk s ARG 124 CO 0.54 -0.30 0.54 -0.40 0.02 0.00 0.00 175.30 175.70 1jwk n ASP 125 N -0.10 0.87 -3.89 0.23 5.68 -1.20 -4.09 116.55 114.05 1jwk n ASP 125 Ca -0.14 -1.30 -0.11 0.00 -0.50 0.00 0.00 54.79 52.75 1jwk n ASP 125 Cb 0.63 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.51 1jwk n ASP 125 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1jwk s LYS 126 N -0.30 0.48 0.90 0.11 1.02 -0.35 -4.83 119.74 116.78 1jwk s LYS 126 Ca 0.00 -0.47 -0.11 0.00 0.02 0.00 0.00 55.97 55.41 1jwk s LYS 126 Cb 0.00 0.20 0.12 0.00 -0.52 0.00 0.00 37.83 37.62 1jwk s LYS 126 CO 0.00 -0.11 1.04 -2.30 -0.92 0.00 0.00 175.35 173.06 1jwk n PRO 127 N 1.38 -0.31 -2.03 -1.68 -0.02 -1.26 -4.66 135.00 126.42 1jwk n PRO 127 Ca -0.23 -0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 60.81 1jwk n PRO 127 Cb 0.56 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1jwk n PRO 127 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1jwk s THR 128 N -2.49 3.28 0.16 3.45 2.01 -1.26 -4.92 115.64 115.87 1jwk s THR 128 Ca 0.67 0.70 -0.34 0.00 0.31 0.00 0.00 61.69 63.03 1jwk s THR 128 Cb -0.24 -3.45 -0.15 0.00 0.01 0.00 0.00 72.50 68.67 1jwk s THR 128 CO 0.58 -0.00 1.39 -2.65 -0.69 0.00 0.00 174.62 173.25 1jwk n PRO 129 N 5.54 1.64 -0.04 4.92 -0.02 -1.26 -4.72 135.00 141.06 1jwk n PRO 129 Ca 0.15 0.59 0.17 0.00 -2.02 0.00 0.00 63.50 62.39 1jwk n PRO 129 Cb 0.42 -2.24 0.61 0.00 -0.02 0.00 0.00 33.50 32.26 1jwk n PRO 129 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jwk h LEU 130 N 4.65 0.16 -1.23 2.45 4.07 -1.92 -0.68 115.31 122.80 1jwk h LEU 130 Ca -0.45 0.01 0.02 0.00 0.08 0.00 0.00 57.88 57.53 1jwk h LEU 130 Cb 1.30 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.97 1jwk h LEU 130 CO 0.79 0.09 0.53 -0.33 -1.08 0.00 0.00 178.44 178.43 1jwk h GLU 131 N 0.17 1.01 0.14 1.13 3.07 -2.02 -2.00 114.58 116.08 1jwk h GLU 131 Ca 0.27 -0.06 -0.23 0.00 -0.50 0.00 0.00 59.36 58.83 1jwk h GLU 131 Cb 0.83 -0.23 0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1jwk h GLU 131 CO -0.04 0.67 -1.10 0.93 -1.40 0.00 0.00 179.01 178.06 1jwk h GLU 132 N 1.04 0.31 0.79 2.33 5.08 -1.54 -3.39 114.58 119.20 1jwk h GLU 132 Ca 0.30 -0.52 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1jwk h GLU 132 Cb -0.05 0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1jwk h GLU 132 CO -0.08 1.25 -0.38 1.25 -1.00 0.00 0.00 179.01 180.05 1jwk h LEU 133 N -0.29 -0.90 -0.40 1.33 5.85 -0.95 -3.10 115.31 116.85 1jwk h LEU 133 Ca -0.21 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.62 1jwk h LEU 133 Cb 1.74 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 42.92 1jwk h LEU 133 CO 0.13 -0.64 -0.16 0.25 -0.34 0.00 0.00 178.44 177.69 1jwk h LEU 134 N -1.08 -0.55 -0.77 2.25 5.85 -1.59 -0.03 115.31 119.39 1jwk h LEU 134 Ca -0.11 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1jwk h LEU 134 Cb 0.82 0.32 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1jwk h LEU 134 CO 0.18 -0.19 0.48 -0.65 -0.34 0.00 0.00 178.44 177.92 1jwk h PRO 135 N -0.08 0.91 -0.40 5.25 0.11 -1.75 0.19 132.00 136.24 1jwk h PRO 135 Ca 0.20 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.15 1jwk h PRO 135 Cb 0.38 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 1jwk h PRO 135 CO -0.45 0.60 -0.15 0.45 -0.21 0.00 0.00 178.00 178.24 1jwk h HIS 136 N 0.94 0.82 -0.31 0.65 3.86 -1.35 -1.21 115.15 118.55 1jwk h HIS 136 Ca 0.31 -0.16 -0.08 0.00 -1.16 0.00 0.00 60.37 59.28 1jwk h HIS 136 Cb 0.03 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1jwk h HIS 136 CO -0.03 0.84 -0.13 0.00 0.86 0.00 0.00 177.93 179.46 1jwk h ALA 137 N 1.17 0.43 -0.33 2.45 0.00 -0.33 -1.97 119.26 120.69 1jwk h ALA 137 Ca 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1jwk h ALA 137 Cb 0.63 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1jwk h ALA 137 CO 0.04 0.32 0.16 0.82 0.00 0.00 0.00 179.25 180.59 1jwk h ILE 138 N 0.40 1.15 -0.69 0.00 1.08 -0.87 -0.77 117.51 117.80 1jwk h ILE 138 Ca 0.07 -0.43 0.07 0.00 -0.39 0.00 0.00 64.86 64.18 1jwk h ILE 138 Cb 0.65 0.84 -0.06 0.00 -3.07 0.00 0.00 36.82 35.18 1jwk h ILE 138 CO 0.04 0.16 0.37 -0.08 -0.69 0.00 0.00 178.15 177.96 1jwk h GLU 139 N 0.40 0.65 -0.34 2.37 4.57 -1.15 -0.61 114.58 120.46 1jwk h GLU 139 Ca 0.11 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 58.10 1jwk h GLU 139 Cb 0.10 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1jwk h GLU 139 CO -0.02 0.43 -0.41 0.35 -1.18 0.00 0.00 179.01 178.19 1jwk h PHE 140 N 0.67 1.06 -0.80 0.92 3.57 -1.06 -1.64 116.94 119.66 1jwk h PHE 140 Ca 0.32 -0.34 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1jwk h PHE 140 Cb 0.25 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 1jwk h PHE 140 CO -0.09 1.15 0.38 0.82 -2.23 0.00 0.00 178.31 178.34 1jwk h ILE 141 N 0.66 1.25 -0.64 1.41 1.08 -0.68 0.14 117.51 120.73 1jwk h ILE 141 Ca 0.04 -0.71 -0.05 0.00 -0.39 0.00 0.00 64.86 63.75 1jwk h ILE 141 Cb 1.00 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 1jwk h ILE 141 CO 0.10 0.30 0.19 0.78 -0.69 0.00 0.00 178.15 178.83 1jwk h ASN 142 N 1.14 0.94 -0.37 1.72 2.35 -1.01 -1.79 115.58 118.55 1jwk h ASN 142 Ca 0.27 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1jwk h ASN 142 Cb 0.12 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1jwk h ASN 142 CO -0.03 0.90 0.14 -0.61 -1.65 0.00 0.00 177.43 176.18 1jwk h GLN 143 N 0.93 0.56 0.23 0.81 4.15 -0.71 0.66 115.11 121.74 1jwk h GLN 143 Ca 0.21 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 59.53 1jwk h GLN 143 Cb 0.30 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1jwk h GLN 143 CO -0.01 0.54 -0.31 -0.92 -1.93 0.00 0.00 178.83 176.21 1jwk h TYR 144 N 0.45 -0.82 0.00 3.99 5.03 -0.42 -2.26 116.97 122.93 1jwk h TYR 144 Ca 0.12 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.36 1jwk h TYR 144 Cb 0.20 0.33 -0.01 0.00 1.55 0.00 0.00 36.73 38.80 1jwk h TYR 144 CO -0.00 -0.43 -0.42 1.88 -1.32 0.00 0.00 178.16 177.88 1jwk h TYR 145 N -0.59 0.00 0.00 -3.82 0.05 -1.30 -2.79 116.97 108.52 1jwk h TYR 145 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1jwk h TYR 145 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1jwk h TYR 145 CO -0.22 0.42 0.00 0.41 -1.05 0.00 0.00 178.16 177.71 1jwk n GLY 146 N -0.08 -1.22 0.01 3.88 0.00 0.22 -2.80 105.19 105.19 1jwk n GLY 146 Ca -0.01 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1jwk n GLY 146 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jwk n SER 147 N -1.70 0.37 -4.79 1.61 3.41 -0.88 -4.90 113.62 106.74 1jwk n SER 147 Ca 0.04 0.06 -0.36 0.00 -0.26 0.00 0.00 58.87 58.35 1jwk n SER 147 Cb 0.24 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 1jwk n SER 147 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1jwk s PHE 148 N -3.02 3.33 -0.04 7.33 0.08 -1.12 -4.98 117.98 119.56 1jwk s PHE 148 Ca 0.11 1.66 -0.26 0.00 0.12 0.00 0.00 56.93 58.56 1jwk s PHE 148 Cb 0.17 -3.06 -0.21 0.00 -0.57 0.00 0.00 43.02 39.35 1jwk s PHE 148 CO 0.64 -0.45 1.19 -0.22 -0.10 0.00 0.00 175.22 176.28 1jwk h LYS 149 N 2.49 0.01 -4.78 0.44 1.63 -1.91 -3.39 116.57 111.07 1jwk h LYS 149 Ca -0.48 -0.01 -0.70 0.00 -0.85 0.00 0.00 60.65 58.62 1jwk h LYS 149 Cb 1.21 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 32.65 1jwk h LYS 149 CO 0.62 0.58 0.09 -1.21 -3.45 0.00 0.00 179.45 176.08 1jwk s GLU 150 N -3.91 3.07 0.40 1.90 0.41 -1.26 -5.04 118.70 114.27 1jwk s GLU 150 Ca -0.16 -1.17 -0.26 0.00 -0.41 0.00 0.00 54.97 52.96 1jwk s GLU 150 Cb 0.01 -4.21 -0.11 0.00 -1.78 0.00 0.00 34.13 28.05 1jwk s GLU 150 CO 0.68 -1.42 1.29 0.00 -0.49 0.00 0.00 175.26 175.31 1jwk n ALA 151 N 6.26 1.35 -3.29 5.21 0.00 -1.26 -4.96 120.51 123.82 1jwk n ALA 151 Ca -0.08 0.29 -0.25 0.00 0.00 0.00 0.00 53.44 53.40 1jwk n ALA 151 Cb 0.43 -2.27 -0.07 0.00 0.00 0.00 0.00 19.45 17.54 1jwk n ALA 151 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jwk n LYS 152 N 0.20 1.68 0.12 0.00 5.02 -1.26 -4.94 118.16 118.98 1jwk n LYS 152 Ca 0.06 -3.97 0.08 0.00 -2.02 0.00 0.00 58.31 52.45 1jwk n LYS 152 Cb 0.39 -1.76 0.55 0.00 -0.02 0.00 0.00 35.03 34.19 1jwk n LYS 152 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1jwk h ILE 153 N 2.54 1.01 0.04 -0.18 2.04 -1.96 -0.15 117.51 120.85 1jwk h ILE 153 Ca 0.13 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 1jwk h ILE 153 Cb 0.77 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1jwk h ILE 153 CO 0.65 0.04 -0.02 -0.08 0.00 0.00 0.00 178.15 178.75 1jwk h GLU 154 N 0.24 -0.05 0.00 2.37 4.81 -2.01 -1.50 114.58 118.44 1jwk h GLU 154 Ca 0.09 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 1jwk h GLU 154 Cb 0.08 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1jwk h GLU 154 CO -0.02 0.02 -0.72 0.93 -0.73 0.00 0.00 179.01 178.49 1jwk h GLU 155 N -0.11 0.00 0.19 1.92 5.08 -1.90 -3.10 114.58 116.67 1jwk h GLU 155 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1jwk h GLU 155 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1jwk h GLU 155 CO 0.01 0.72 -0.09 1.25 -1.00 0.00 0.00 179.01 179.90 1jwk h HIS 156 N 0.00 -0.24 -0.84 4.33 2.76 -0.80 -0.78 115.15 119.59 1jwk h HIS 156 Ca -0.01 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1jwk h HIS 156 Cb 1.29 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 30.29 1jwk h HIS 156 CO 0.00 -0.07 0.48 -0.07 -1.30 0.00 0.00 177.93 176.96 1jwk h LEU 157 N -0.36 1.03 -0.70 0.26 -0.00 -1.35 -1.52 115.31 112.68 1jwk h LEU 157 Ca -0.03 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1jwk h LEU 157 Cb 0.28 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 40.64 1jwk h LEU 157 CO 0.04 0.82 0.45 0.00 -0.00 0.00 0.00 178.44 179.75 1jwk h ALA 158 N 1.25 0.88 -0.36 1.53 0.00 -1.44 -2.02 119.26 119.10 1jwk h ALA 158 Ca 0.30 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1jwk h ALA 158 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1jwk h ALA 158 CO -0.05 0.32 0.01 -0.09 0.00 0.00 0.00 179.25 179.43 1jwk h ARG 159 N 0.94 0.64 -0.83 0.00 9.65 -0.75 -1.21 114.38 122.83 1jwk h ARG 159 Ca 0.25 -0.20 0.08 0.00 -1.10 0.00 0.00 59.98 59.02 1jwk h ARG 159 Cb -0.09 -0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.36 1jwk h ARG 159 CO -0.05 0.74 0.49 -0.07 2.80 0.00 0.00 179.97 183.88 1jwk h LEU 160 N 0.46 0.72 -0.08 3.80 3.38 -1.01 -0.44 115.31 122.15 1jwk h LEU 160 Ca 0.10 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1jwk h LEU 160 Cb 0.45 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1jwk h LEU 160 CO 0.02 0.43 -0.01 -0.08 0.09 0.00 0.00 178.44 178.89 1jwk h GLU 161 N 0.85 0.14 -0.90 1.13 4.81 -1.16 -2.48 114.58 116.97 1jwk h GLU 161 Ca 0.39 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1jwk h GLU 161 Cb 0.29 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1jwk h GLU 161 CO -0.22 0.44 0.53 0.00 -0.73 0.00 0.00 179.01 179.02 1jwk h ALA 162 N 0.70 1.14 -0.50 2.92 0.00 -0.81 -1.03 119.26 121.70 1jwk h ALA 162 Ca 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1jwk h ALA 162 Cb 0.38 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1jwk h ALA 162 CO 0.01 0.61 0.12 0.28 0.00 0.00 0.00 179.25 180.27 1jwk h VAL 163 N 1.24 1.24 -0.11 0.00 2.07 -1.09 -0.27 116.25 119.32 1jwk h VAL 163 Ca 0.32 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1jwk h VAL 163 Cb -0.03 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1jwk h VAL 163 CO -0.06 0.31 0.01 0.74 0.02 0.00 0.00 177.57 178.59 1jwk h THR 164 N 0.69 0.94 -0.81 2.57 2.02 -1.04 -0.78 112.91 116.50 1jwk h THR 164 Ca 0.16 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1jwk h THR 164 Cb 0.34 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1jwk h THR 164 CO 0.00 0.01 0.47 0.11 0.37 0.00 0.00 175.52 176.49 1jwk h LYS 165 N 0.06 1.11 -0.53 6.66 1.79 -1.01 0.36 116.57 125.00 1jwk h LYS 165 Ca 0.05 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1jwk h LYS 165 Cb 0.05 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.45 1jwk h LYS 165 CO -0.07 0.79 0.19 1.49 -1.08 0.00 0.00 179.45 180.77 1jwk h GLU 166 N 1.11 0.81 -0.33 3.15 4.81 -0.63 0.19 114.58 123.69 1jwk h GLU 166 Ca 0.29 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 1jwk h GLU 166 Cb -0.02 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1jwk h GLU 166 CO -0.05 0.73 -0.23 0.82 -0.73 0.00 0.00 179.01 179.55 1jwk h ILE 167 N 0.73 1.27 -0.43 2.32 2.04 -0.85 0.32 117.51 122.90 1jwk h ILE 167 Ca 0.17 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 1jwk h ILE 167 Cb 0.24 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1jwk h ILE 167 CO -0.01 0.43 0.14 -0.08 0.00 0.00 0.00 178.15 178.63 1jwk h GLU 168 N 0.57 0.66 0.00 2.37 4.81 -0.44 -0.59 114.58 121.96 1jwk h GLU 168 Ca 0.08 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1jwk h GLU 168 Cb 0.70 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1jwk h GLU 168 CO 0.05 0.64 -1.28 0.25 -0.73 0.00 0.00 179.01 177.95 1jwk n THR 169 N -4.58 0.40 -0.00 0.32 -2.24 0.61 -4.59 114.28 104.19 1jwk n THR 169 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1jwk n THR 169 Cb 0.18 -0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.21 1jwk n THR 169 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jwk n THR 170 N -2.48 0.04 -0.14 4.28 -2.24 0.11 -5.03 114.28 108.82 1jwk n THR 170 Ca -0.01 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1jwk n THR 170 Cb 0.54 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1jwk n THR 170 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jwk n GLY 171 N 2.69 0.57 0.00 3.38 0.00 -0.23 -5.00 105.19 106.60 1jwk n GLY 171 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1jwk n GLY 171 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1jwk n THR 172 N -2.00 0.00 -3.46 2.61 5.66 -1.26 -4.86 114.28 110.97 1jwk n THR 172 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1jwk n THR 172 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1jwk n THR 172 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1jwk s TYR 173 N -5.42 -0.50 -0.12 1.09 1.13 -1.26 -2.71 117.35 109.55 1jwk s TYR 173 Ca 0.00 0.27 -0.02 0.00 -1.41 0.00 0.00 57.07 55.91 1jwk s TYR 173 Cb 0.00 0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 41.40 1jwk s TYR 173 CO 0.00 -0.88 -0.03 -0.65 -2.51 0.00 0.00 175.55 171.49 1jwk s GLN 174 N -3.75 3.28 0.46 -3.49 -1.52 -1.26 -5.07 119.66 108.30 1jwk s GLN 174 Ca 0.02 -0.48 -0.14 0.00 -1.95 0.00 0.00 55.36 52.80 1jwk s GLN 174 Cb -0.01 -2.82 -0.08 0.00 -0.22 0.00 0.00 33.01 29.88 1jwk s GLN 174 CO -0.11 0.48 0.89 -0.51 -0.25 0.00 0.00 175.29 175.78 1jwk s LEU 175 N -0.28 3.75 0.63 2.90 1.43 -1.26 -5.06 118.68 120.79 1jwk s LEU 175 Ca 0.05 1.40 -0.10 0.00 -1.03 0.00 0.00 54.13 54.45 1jwk s LEU 175 Cb -0.12 -4.30 -0.01 0.00 0.03 0.00 0.00 46.19 41.78 1jwk s LEU 175 CO 0.02 -0.48 1.01 0.42 0.23 0.00 0.00 176.35 177.56 1jwk s THR 176 N -2.46 4.13 0.19 5.49 -4.23 -1.26 -4.86 115.64 112.63 1jwk s THR 176 Ca 0.56 0.54 -0.12 0.00 -1.18 0.00 0.00 61.69 61.49 1jwk s THR 176 Cb -0.10 -3.67 0.11 0.00 1.34 0.00 0.00 72.50 70.18 1jwk s THR 176 CO 0.29 -0.83 1.74 0.25 -0.54 0.00 0.00 174.62 175.53 1jwk h LEU 177 N -0.37 0.15 -1.10 4.79 6.46 -1.99 -0.92 115.31 122.34 1jwk h LEU 177 Ca -0.45 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.36 1jwk h LEU 177 Cb 1.22 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 41.18 1jwk h LEU 177 CO 0.62 0.11 0.32 0.44 -0.62 0.00 0.00 178.44 179.32 1jwk h ASP 178 N 0.34 0.87 -0.54 1.25 3.32 -1.99 -0.19 116.42 119.48 1jwk h ASP 178 Ca 0.25 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 1jwk h ASP 178 Cb 0.29 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1jwk h ASP 178 CO -0.27 0.73 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.63 1jwk h GLU 179 N 0.96 0.97 -0.09 3.56 5.08 -1.71 -0.75 114.58 122.60 1jwk h GLU 179 Ca 0.23 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1jwk h GLU 179 Cb 0.10 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1jwk h GLU 179 CO -0.03 0.99 0.01 1.25 -1.00 0.00 0.00 179.01 180.23 1jwk h LEU 180 N 0.85 0.14 -0.51 1.33 5.85 -0.77 0.17 115.31 122.37 1jwk h LEU 180 Ca 0.15 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.69 1jwk h LEU 180 Cb 0.56 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 1jwk h LEU 180 CO 0.03 0.37 0.13 0.40 -0.34 0.00 0.00 178.44 179.03 1jwk h ILE 181 N -0.09 0.75 -0.43 4.05 2.04 -0.97 0.12 117.51 122.97 1jwk h ILE 181 Ca 0.03 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1jwk h ILE 181 Cb 0.29 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1jwk h ILE 181 CO 0.00 0.05 0.27 0.15 0.00 0.00 0.00 178.15 178.62 1jwk h PHE 182 N 0.28 0.51 -0.75 1.37 3.57 -0.83 -2.48 116.94 118.61 1jwk h PHE 182 Ca 0.26 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1jwk h PHE 182 Cb 0.33 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1jwk h PHE 182 CO -0.21 0.31 0.40 0.00 -2.23 0.00 0.00 178.31 176.58 1jwk h ALA 183 N 1.18 0.97 -0.54 2.41 0.00 0.70 -0.96 119.26 123.02 1jwk h ALA 183 Ca 0.17 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1jwk h ALA 183 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1jwk h ALA 183 CO -0.06 0.50 -0.09 1.79 0.00 0.00 0.00 179.25 181.39 1jwk h THR 184 N 1.05 1.27 -0.19 0.00 1.35 -0.57 -0.04 112.91 115.78 1jwk h THR 184 Ca 0.26 -1.23 -0.07 0.00 -0.55 0.00 0.00 66.41 64.82 1jwk h THR 184 Cb 0.06 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1jwk h THR 184 CO -0.04 0.44 -0.17 0.11 -0.25 0.00 0.00 175.52 175.61 1jwk h LYS 185 N 0.90 0.44 -0.78 4.72 1.57 -1.27 -1.84 116.57 120.31 1jwk h LYS 185 Ca 0.14 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1jwk h LYS 185 Cb 0.64 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1jwk h LYS 185 CO 0.04 0.79 0.34 0.52 -0.57 0.00 0.00 179.45 180.57 1jwk h MET 186 N 0.10 1.14 -0.87 3.15 2.86 -1.13 0.48 114.93 120.66 1jwk h MET 186 Ca 0.03 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1jwk h MET 186 Cb 0.70 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 1jwk h MET 186 CO 0.04 0.91 0.46 0.00 1.06 0.00 0.00 176.91 179.38 1jwk h ALA 187 N 1.18 1.16 0.01 6.32 0.00 -0.96 0.36 119.26 127.33 1jwk h ALA 187 Ca 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jwk h ALA 187 Cb 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1jwk h ALA 187 CO -0.03 0.66 -0.00 2.35 0.00 0.00 0.00 179.25 182.23 1jwk h TRP 188 N 1.23 -0.01 -0.53 0.00 7.01 -0.62 -2.09 115.95 120.93 1jwk h TRP 188 Ca 0.30 -0.00 0.16 0.00 2.11 0.00 0.00 58.89 61.46 1jwk h TRP 188 Cb 0.06 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 1jwk h TRP 188 CO 0.01 0.26 0.41 -0.09 -2.79 0.00 0.00 178.44 176.25 1jwk h ARG 189 N -0.28 0.00 -0.55 2.65 2.43 0.67 0.70 114.38 119.99 1jwk h ARG 189 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jwk h ARG 189 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1jwk h ARG 189 CO 0.00 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.55 1jwk n ASN 190 N -4.22 2.93 -4.50 -3.80 3.02 0.12 -4.85 115.26 103.96 1jwk n ASN 190 Ca 0.10 -2.00 -0.43 0.00 -0.03 0.00 0.00 54.58 52.22 1jwk n ASN 190 Cb 0.64 -0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 39.40 1jwk n ASN 190 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jwk s ALA 191 N -1.27 3.10 0.59 5.41 0.00 0.23 -4.76 121.76 125.07 1jwk s ALA 191 Ca 0.37 -1.48 0.30 0.00 0.00 0.00 0.00 51.96 51.14 1jwk s ALA 191 Cb 0.19 -3.84 1.75 0.00 0.00 0.00 0.00 23.12 21.23 1jwk s ALA 191 CO 0.25 -2.62 2.18 -1.35 0.00 0.00 0.00 175.76 174.21 1jwk h PRO 192 N 9.48 0.00 -0.04 0.00 0.11 -1.88 -2.24 132.00 137.43 1jwk h PRO 192 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1jwk h PRO 192 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1jwk h PRO 192 CO 1.14 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.47 1jwk n ARG 193 N -3.79 1.98 -3.36 1.05 1.74 -1.26 -0.44 116.66 112.58 1jwk n ARG 193 Ca -0.01 -1.43 -0.39 0.00 -0.77 0.00 0.00 57.85 55.25 1jwk n ARG 193 Cb 0.20 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.09 1jwk n ARG 193 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jwk n ILE 195 N 4.74 0.22 -0.46 0.00 3.06 -1.26 -3.98 119.36 121.68 1jwk n ILE 195 Ca -0.08 -0.18 0.06 0.00 -2.50 0.00 0.00 62.75 60.05 1jwk n ILE 195 Cb 0.51 0.00 0.32 0.00 0.54 0.00 0.00 39.64 41.01 1jwk n ILE 195 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1jwk n GLY 196 N 1.40 2.62 0.00 4.50 0.00 -1.26 -4.31 105.19 108.13 1jwk n GLY 196 Ca 0.04 -0.73 0.02 0.00 0.00 0.00 0.00 46.02 45.35 1jwk n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jwk n ARG 197 N 0.55 0.04 0.23 1.61 1.74 -1.26 -1.99 116.66 117.58 1jwk n ARG 197 Ca 0.22 0.29 0.15 0.00 -0.77 0.00 0.00 57.85 57.74 1jwk n ARG 197 Cb 0.97 -1.50 0.59 0.00 -1.02 0.00 0.00 32.46 31.50 1jwk n ARG 197 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1jwk h ILE 198 N 0.00 0.00 -0.05 0.55 2.10 -1.86 -2.48 117.51 115.77 1jwk h ILE 198 Ca 0.00 -0.48 0.00 0.00 1.08 0.00 0.00 64.86 65.46 1jwk h ILE 198 Cb 0.04 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 1jwk h ILE 198 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 1jwk n GLN 199 N -2.85 1.59 -0.57 2.19 1.13 -0.84 -4.60 117.38 113.42 1jwk n GLN 199 Ca 0.01 -0.86 0.46 0.00 -1.94 0.00 0.00 57.00 54.67 1jwk n GLN 199 Cb 0.31 -1.45 0.74 0.00 0.11 0.00 0.00 30.24 29.95 1jwk n GLN 199 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1jwk h TRP 200 N 1.98 0.27 0.00 1.08 5.08 -1.64 0.75 115.95 123.47 1jwk h TRP 200 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 1jwk h TRP 200 Cb 0.42 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 26.52 1jwk h TRP 200 CO 0.03 -0.14 -0.31 0.66 -1.28 0.00 0.00 178.44 177.40 1jwk h SER 201 N 0.01 0.00 -3.22 0.11 4.64 -1.87 -3.42 113.55 109.81 1jwk h SER 201 Ca 0.89 -0.07 -0.74 0.00 -0.47 0.00 0.00 61.79 61.39 1jwk h SER 201 Cb 3.21 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 65.08 1jwk h SER 201 CO -0.25 0.04 0.32 0.20 -0.87 0.00 0.00 176.83 176.27 1jwk s ASN 202 N -4.78 6.62 -0.17 4.97 0.02 0.25 -4.98 114.94 116.87 1jwk s ASN 202 Ca 0.07 -2.28 -0.05 0.00 -1.02 0.00 0.00 52.86 49.59 1jwk s ASN 202 Cb 0.11 -2.28 0.08 0.00 0.02 0.00 0.00 41.25 39.18 1jwk s ASN 202 CO 0.67 -0.82 0.31 -0.22 0.02 0.00 0.00 177.10 177.07 1jwk s LEU 203 N 1.37 -0.41 0.07 0.60 2.96 -1.26 -4.68 118.68 117.33 1jwk s LEU 203 Ca 0.21 0.58 -0.30 0.00 -0.22 0.00 0.00 54.13 54.40 1jwk s LEU 203 Cb -0.11 0.88 -0.05 0.00 0.50 0.00 0.00 46.19 47.41 1jwk s LEU 203 CO -0.06 -0.25 0.99 -1.58 -1.32 0.00 0.00 176.35 174.12 1jwk s GLN 204 N 2.47 4.63 -0.20 1.98 2.00 -0.95 -4.96 119.66 124.64 1jwk s GLN 204 Ca 0.02 1.48 -0.01 0.00 -2.00 0.00 0.00 55.36 54.85 1jwk s GLN 204 Cb -0.13 -3.40 0.01 0.00 0.80 0.00 0.00 33.01 30.30 1jwk s GLN 204 CO -0.11 0.09 -0.15 0.08 -0.50 0.00 0.00 175.29 174.70 1jwk s VAL 205 N 0.40 2.49 -0.34 1.34 1.01 -1.26 -1.23 120.40 122.80 1jwk s VAL 205 Ca 0.50 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 1jwk s VAL 205 Cb -0.23 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1jwk s VAL 205 CO 0.29 0.48 0.27 -0.36 0.00 0.00 0.00 175.10 175.79 1jwk s PHE 206 N 1.34 3.22 -0.68 5.22 0.08 0.67 -4.99 117.98 122.85 1jwk s PHE 206 Ca 0.05 -0.17 -0.24 0.00 0.12 0.00 0.00 56.93 56.69 1jwk s PHE 206 Cb -0.14 -2.53 0.06 0.00 -0.57 0.00 0.00 43.02 39.84 1jwk s PHE 206 CO -0.10 -0.38 1.07 0.34 -0.10 0.00 0.00 175.22 176.05 1jwk s ASP 207 N 1.73 6.18 -0.32 1.36 2.15 -1.26 -0.94 116.67 125.56 1jwk s ASP 207 Ca 0.08 -0.78 0.08 0.00 0.43 0.00 0.00 52.55 52.35 1jwk s ASP 207 Cb -0.17 -2.47 0.51 0.00 -0.30 0.00 0.00 42.92 40.49 1jwk s ASP 207 CO 0.11 -1.57 1.50 0.00 -0.17 0.00 0.00 175.17 175.04 1jwk n ALA 208 N 8.26 4.60 0.48 3.66 0.00 0.21 -4.69 120.51 133.03 1jwk n ALA 208 Ca -0.01 -3.23 0.07 0.00 0.00 0.00 0.00 53.44 50.27 1jwk n ALA 208 Cb 0.47 -0.80 0.31 0.00 0.00 0.00 0.00 19.45 19.43 1jwk n ALA 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jwk n ARG 209 N -1.08 0.01 -0.10 0.00 1.74 -1.08 -2.15 116.66 114.00 1jwk n ARG 209 Ca 0.38 0.26 0.12 0.00 -0.77 0.00 0.00 57.85 57.84 1jwk n ARG 209 Cb 1.04 -1.51 0.23 0.00 -1.02 0.00 0.00 32.46 31.20 1jwk n ARG 209 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1jwk n ASN 210 N -1.53 2.90 -4.71 0.55 5.03 -1.26 -4.35 115.26 111.89 1jwk n ASN 210 Ca 0.03 -1.92 -0.33 0.00 0.87 0.00 0.00 54.58 53.23 1jwk n ASN 210 Cb 0.17 -0.13 0.11 0.00 -1.02 0.00 0.00 39.78 38.91 1jwk n ASN 210 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jwk n SER 212 N -3.10 0.00 -4.52 0.00 3.41 -1.26 -4.83 113.62 103.31 1jwk n SER 212 Ca 0.13 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.49 1jwk n SER 212 Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 1jwk n SER 212 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1jwk s THR 213 N -0.33 2.41 0.29 6.66 -4.23 -1.26 -4.53 115.64 114.65 1jwk s THR 213 Ca 0.00 -2.27 0.00 0.00 -1.18 0.00 0.00 61.69 58.24 1jwk s THR 213 Cb 0.00 -2.51 0.15 0.00 1.34 0.00 0.00 72.50 71.48 1jwk s THR 213 CO 0.00 -0.30 1.83 0.00 -0.54 0.00 0.00 174.62 175.61 1jwk h ALA 214 N 2.12 1.23 -0.78 3.99 0.00 -1.91 -1.69 119.26 122.22 1jwk h ALA 214 Ca -0.41 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1jwk h ALA 214 Cb 1.25 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1jwk h ALA 214 CO 0.65 0.52 0.35 0.37 0.00 0.00 0.00 179.25 181.14 1jwk h GLN 215 N 0.71 1.13 -0.52 0.00 4.15 -1.97 -1.23 115.11 117.38 1jwk h GLN 215 Ca 0.15 -0.18 -0.11 0.00 0.77 0.00 0.00 58.65 59.28 1jwk h GLN 215 Cb 0.33 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1jwk h GLN 215 CO 0.01 0.89 -0.11 0.93 -1.93 0.00 0.00 178.83 178.62 1jwk h GLU 216 N 1.10 0.98 -0.26 1.69 5.08 -1.84 -1.93 114.58 119.41 1jwk h GLU 216 Ca 0.26 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1jwk h GLU 216 Cb 0.15 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1jwk h GLU 216 CO -0.03 1.03 0.12 0.52 -1.00 0.00 0.00 179.01 179.65 1jwk h MET 217 N 0.87 0.24 -0.80 2.33 2.86 -0.93 -1.42 114.93 118.09 1jwk h MET 217 Ca 0.14 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.85 1jwk h MET 217 Cb 0.67 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.20 1jwk h MET 217 CO 0.05 0.16 0.45 0.35 1.06 0.00 0.00 176.91 178.98 1jwk h PHE 218 N 0.25 0.82 -0.44 -0.22 3.57 -1.00 -0.24 116.94 119.69 1jwk h PHE 218 Ca 0.11 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1jwk h PHE 218 Cb 0.05 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1jwk h PHE 218 CO -0.11 0.35 0.11 1.96 -2.23 0.00 0.00 178.31 178.39 1jwk h GLN 219 N 0.78 0.70 -0.39 1.11 4.20 -0.79 -1.33 115.11 119.39 1jwk h GLN 219 Ca 0.38 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1jwk h GLN 219 Cb 0.32 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1jwk h GLN 219 CO -0.23 0.70 0.19 0.45 -0.67 0.00 0.00 178.83 179.27 1jwk h HIS 220 N 0.57 0.56 -0.52 2.96 3.86 -0.51 -1.31 115.15 120.76 1jwk h HIS 220 Ca 0.14 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1jwk h HIS 220 Cb 0.31 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 1jwk h HIS 220 CO 0.02 0.46 0.34 0.82 0.86 0.00 0.00 177.93 180.43 1jwk h ILE 221 N 0.49 1.14 -0.68 2.45 2.04 -0.95 -0.22 117.51 121.78 1jwk h ILE 221 Ca 0.13 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1jwk h ILE 221 Cb 0.11 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1jwk h ILE 221 CO -0.02 0.14 0.44 0.00 0.00 0.00 0.00 178.15 178.71 1jwk h ARG 223 N 0.92 1.09 0.34 0.00 2.43 -0.77 -1.23 114.38 117.16 1jwk h ARG 223 Ca 0.25 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1jwk h ARG 223 Cb -0.08 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.29 1jwk h ARG 223 CO -0.05 0.87 -0.16 1.25 -1.51 0.00 0.00 179.97 180.37 1jwk h HIS 224 N 1.07 -0.42 -0.60 2.20 2.76 -0.18 -0.14 115.15 119.83 1jwk h HIS 224 Ca 0.25 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.52 1jwk h HIS 224 Cb 0.18 0.14 -0.08 0.00 1.55 0.00 0.00 27.41 29.20 1jwk h HIS 224 CO 0.02 -0.15 0.14 0.82 -1.30 0.00 0.00 177.93 177.46 1jwk h ILE 225 N -0.65 0.66 -0.13 6.26 2.04 -0.52 0.14 117.51 125.32 1jwk h ILE 225 Ca -0.05 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1jwk h ILE 225 Cb 0.46 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1jwk h ILE 225 CO 0.08 0.05 0.05 0.25 0.00 0.00 0.00 178.15 178.58 1jwk h LEU 226 N 0.28 0.18 -0.00 1.44 5.85 -1.08 0.15 115.31 122.12 1jwk h LEU 226 Ca 0.31 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1jwk h LEU 226 Cb 0.45 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1jwk h LEU 226 CO -0.39 0.29 0.00 0.22 -0.34 0.00 0.00 178.44 178.23 1jwk h TYR 227 N 0.05 0.01 -0.70 1.25 3.20 -0.48 -2.37 116.97 117.94 1jwk h TYR 227 Ca 0.04 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1jwk h TYR 227 Cb 0.17 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1jwk h TYR 227 CO -0.02 0.07 0.39 0.00 -1.64 0.00 0.00 178.16 176.96 1jwk h ALA 228 N 0.94 0.90 -0.07 1.82 0.00 -0.66 -3.16 119.26 119.03 1jwk h ALA 228 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1jwk h ALA 228 Cb 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1jwk h ALA 228 CO -0.00 0.41 0.01 1.15 0.00 0.00 0.00 179.25 180.82 1jwk h THR 229 N 0.96 1.22 -6.91 0.00 2.02 -0.92 0.04 112.91 109.33 1jwk h THR 229 Ca 0.25 -0.68 -0.58 0.00 0.77 0.00 0.00 66.41 66.16 1jwk h THR 229 Cb 0.03 1.56 -0.25 0.00 -1.74 0.00 0.00 68.15 67.75 1jwk h THR 229 CO -0.04 0.19 -0.88 -3.20 0.37 0.00 0.00 175.52 171.96 1jwk n ASN 230 N -4.88 -2.10 -3.83 4.18 5.15 -0.90 -1.36 115.26 111.53 1jwk n ASN 230 Ca -0.07 -1.11 -0.28 0.00 -0.60 0.00 0.00 54.58 52.52 1jwk n ASN 230 Cb 0.17 -2.30 0.04 0.00 -0.53 0.00 0.00 39.78 37.16 1jwk n ASN 230 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1jwk n ASN 231 N -2.65 -5.05 0.00 1.20 4.05 -1.26 -2.34 115.26 109.21 1jwk n ASN 231 Ca 0.01 -0.72 0.00 0.00 0.45 0.00 0.00 54.58 54.32 1jwk n ASN 231 Cb 0.52 -4.18 0.00 0.00 1.23 0.00 0.00 39.78 37.35 1jwk n ASN 231 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1jwk n GLY 232 N -1.76 2.39 3.21 8.20 0.00 -0.46 -4.91 105.19 111.86 1jwk n GLY 232 Ca 0.02 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1jwk n GLY 232 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jwk n ASN 233 N 0.10 4.85 -4.65 1.61 5.15 -0.99 -0.85 115.26 120.48 1jwk n ASN 233 Ca 0.00 -2.97 -0.46 0.00 -0.60 0.00 0.00 54.58 50.55 1jwk n ASN 233 Cb 0.00 -1.61 -0.03 0.00 -0.53 0.00 0.00 39.78 37.61 1jwk n ASN 233 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1jwk n ILE 234 N 4.87 0.85 -4.92 -1.44 2.08 -1.24 -4.51 119.36 115.05 1jwk n ILE 234 Ca 0.44 -0.21 -0.27 0.00 0.56 0.00 0.00 62.75 63.26 1jwk n ILE 234 Cb 0.41 -1.33 -0.16 0.00 -0.75 0.00 0.00 39.64 37.82 1jwk n ILE 234 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1jwk s ARG 235 N -0.29 1.94 0.19 0.38 0.52 -0.00 -4.97 118.95 116.72 1jwk s ARG 235 Ca 0.70 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.95 1jwk s ARG 235 Cb -0.70 -1.67 -0.08 0.00 0.52 0.00 0.00 34.95 33.02 1jwk s ARG 235 CO 0.49 0.26 1.16 -1.12 0.02 0.00 0.00 175.30 176.11 1jwk s SER 236 N 0.01 7.16 0.15 0.23 0.01 -1.26 -4.47 113.70 115.53 1jwk s SER 236 Ca -0.04 2.19 -0.20 0.00 1.31 0.00 0.00 55.95 59.21 1jwk s SER 236 Cb -0.12 -2.61 0.05 0.00 0.21 0.00 0.00 66.02 63.55 1jwk s SER 236 CO 0.03 -0.30 0.51 0.00 0.41 0.00 0.00 173.24 173.88 1jwk s ALA 237 N -0.20 -1.26 -0.04 1.44 0.00 -1.01 -2.23 121.76 118.46 1jwk s ALA 237 Ca 0.51 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.60 1jwk s ALA 237 Cb -0.31 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.62 1jwk s ALA 237 CO 0.36 -0.72 0.16 -1.50 0.00 0.00 0.00 175.76 174.06 1jwk s ILE 238 N -3.78 0.04 -0.17 0.00 2.07 -0.36 -1.04 121.20 117.95 1jwk s ILE 238 Ca 0.03 -0.29 0.01 0.00 -1.41 0.00 0.00 60.65 58.98 1jwk s ILE 238 Cb 0.00 -0.32 0.01 0.00 0.13 0.00 0.00 42.46 42.28 1jwk s ILE 238 CO -0.12 -0.16 -0.19 -0.89 -1.91 0.00 0.00 174.94 171.67 1jwk s THR 239 N -0.54 2.17 -0.36 4.00 2.01 -0.65 -0.24 115.64 122.03 1jwk s THR 239 Ca -0.06 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 60.89 1jwk s THR 239 Cb -0.04 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1jwk s THR 239 CO 0.01 0.53 0.25 -0.69 -0.69 0.00 0.00 174.62 174.03 1jwk s VAL 240 N 1.16 5.22 0.73 3.82 1.01 -0.11 -3.19 120.40 129.04 1jwk s VAL 240 Ca 0.02 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 1jwk s VAL 240 Cb -0.14 -3.75 0.10 0.00 0.00 0.00 0.00 36.38 32.60 1jwk s VAL 240 CO -0.09 -0.09 1.03 -0.36 0.00 0.00 0.00 175.10 175.58 1jwk s PHE 241 N 1.70 2.25 0.39 5.22 0.40 -0.61 -0.62 117.98 126.71 1jwk s PHE 241 Ca 0.06 0.13 -0.25 0.00 -0.60 0.00 0.00 56.93 56.26 1jwk s PHE 241 Cb -0.18 -3.23 -0.12 0.00 0.51 0.00 0.00 43.02 40.00 1jwk s PHE 241 CO 0.10 -1.65 0.94 -2.30 0.70 0.00 0.00 175.22 173.01 1jwk n PRO 242 N -2.96 1.24 -1.75 0.24 -0.02 -1.24 -4.60 135.00 125.91 1jwk n PRO 242 Ca 0.11 0.44 -0.32 0.00 -2.02 0.00 0.00 63.50 61.72 1jwk n PRO 242 Cb 0.60 -1.91 0.04 0.00 -0.02 0.00 0.00 33.50 32.21 1jwk n PRO 242 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1jwk s GLN 243 N -1.83 3.02 0.20 -0.52 -2.07 -1.26 -4.58 119.66 112.61 1jwk s GLN 243 Ca 0.62 1.10 -0.31 0.00 -1.82 0.00 0.00 55.36 54.96 1jwk s GLN 243 Cb -0.60 -2.00 -0.09 0.00 -1.09 0.00 0.00 33.01 29.23 1jwk s GLN 243 CO 0.58 -1.04 1.45 0.50 -1.32 0.00 0.00 175.29 175.46 1jwk s ARG 244 N -4.57 4.28 -0.01 9.60 3.52 0.77 -4.96 118.95 127.58 1jwk s ARG 244 Ca 0.61 2.25 -0.01 0.00 -0.13 0.00 0.00 55.73 58.44 1jwk s ARG 244 Cb -0.15 -3.16 -0.00 0.00 -1.56 0.00 0.00 34.95 30.07 1jwk s ARG 244 CO 0.47 -0.45 -0.03 -1.13 -0.81 0.00 0.00 175.30 173.35 1jwk n SER 245 N 3.11 0.16 -0.05 -2.12 3.41 -1.26 -4.76 113.62 112.11 1jwk n SER 245 Ca 0.09 0.07 0.01 0.00 -0.26 0.00 0.00 58.87 58.78 1jwk n SER 245 Cb 0.40 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1jwk n SER 245 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jwk n ASP 246 N -2.63 0.77 0.00 4.04 5.68 -1.26 -4.32 116.55 118.83 1jwk n ASP 246 Ca -0.01 -0.89 0.00 0.00 -0.50 0.00 0.00 54.79 53.39 1jwk n ASP 246 Cb 0.04 0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1jwk n ASP 246 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jwk n GLY 247 N 0.43 0.99 0.01 6.12 0.00 -1.26 -1.21 105.19 110.27 1jwk n GLY 247 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1jwk n GLY 247 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jwk n LYS 248 N -2.00 0.11 -2.24 1.61 5.02 -1.26 -4.39 118.16 115.02 1jwk n LYS 248 Ca 0.00 -0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.09 1jwk n LYS 248 Cb 0.00 -1.53 0.03 0.00 -0.02 0.00 0.00 35.03 33.51 1jwk n LYS 248 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1jwk n HIS 249 N -1.66 2.45 -2.23 2.13 8.25 -1.26 -4.29 115.22 118.62 1jwk n HIS 249 Ca 0.03 -2.28 -0.39 0.00 -0.26 0.00 0.00 57.72 54.82 1jwk n HIS 249 Cb 0.37 -0.30 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 1jwk n HIS 249 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1jwk s ASP 250 N -3.63 6.66 -0.15 0.41 1.01 -1.26 -3.64 116.67 116.06 1jwk s ASP 250 Ca 0.45 2.49 -0.13 0.00 0.71 0.00 0.00 52.55 56.06 1jwk s ASP 250 Cb 0.39 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.65 1jwk s ASP 250 CO 0.01 -0.59 0.29 -0.36 0.21 0.00 0.00 175.17 174.72 1jwk s PHE 251 N -1.27 3.48 -0.05 4.23 0.40 -1.26 -1.28 117.98 122.22 1jwk s PHE 251 Ca 0.53 0.61 -0.10 0.00 -0.60 0.00 0.00 56.93 57.37 1jwk s PHE 251 Cb -0.35 -2.31 0.02 0.00 0.51 0.00 0.00 43.02 40.89 1jwk s PHE 251 CO 0.45 0.29 0.25 1.03 0.70 0.00 0.00 175.22 177.93 1jwk s ARG 252 N 0.30 0.44 -0.29 0.44 1.81 0.47 -3.31 118.95 118.81 1jwk s ARG 252 Ca 0.17 0.06 -0.08 0.00 -1.72 0.00 0.00 55.73 54.15 1jwk s ARG 252 Cb -0.13 0.20 -0.01 0.00 -0.45 0.00 0.00 34.95 34.56 1jwk s ARG 252 CO 0.04 -0.09 0.12 -0.51 -0.68 0.00 0.00 175.30 174.18 1jwk s LEU 253 N -0.57 3.86 0.50 2.53 1.02 -1.26 -0.78 118.68 123.99 1jwk s LEU 253 Ca -0.07 -0.44 0.31 0.00 0.02 0.00 0.00 54.13 53.95 1jwk s LEU 253 Cb -0.04 -1.96 1.12 0.00 0.02 0.00 0.00 46.19 45.33 1jwk s LEU 253 CO 0.02 -0.14 1.89 -0.50 0.02 0.00 0.00 176.35 177.63 1jwk h TRP 254 N 8.30 0.00 -4.10 0.29 4.06 -1.60 -3.41 115.95 119.49 1jwk h TRP 254 Ca -0.34 0.00 -0.49 0.00 2.06 0.00 0.00 58.89 60.12 1jwk h TRP 254 Cb 1.15 0.00 0.06 0.00 -1.00 0.00 0.00 29.16 29.37 1jwk h TRP 254 CO 0.65 0.00 0.41 -0.80 -3.56 0.00 0.00 178.44 175.14 1jwk s ASN 255 N -5.65 5.84 0.04 -3.49 -0.87 -1.26 -4.94 114.94 104.61 1jwk s ASN 255 Ca 0.03 2.08 -0.13 0.00 -1.57 0.00 0.00 52.86 53.27 1jwk s ASN 255 Cb 0.08 -2.57 -0.34 0.00 -0.02 0.00 0.00 41.25 38.40 1jwk s ASN 255 CO 0.56 -1.13 1.02 0.28 -2.57 0.00 0.00 177.10 175.26 1jwk h SER 256 N 1.16 0.75 -3.80 -1.22 0.02 -1.93 -3.26 113.55 105.27 1jwk h SER 256 Ca -0.49 -0.81 -0.36 0.00 -0.84 0.00 0.00 61.79 59.29 1jwk h SER 256 Cb 1.25 -0.24 -0.14 0.00 0.14 0.00 0.00 62.40 63.40 1jwk h SER 256 CO 0.57 1.63 -0.71 -1.10 -1.14 0.00 0.00 176.83 176.09 1jwk s GLN 257 N -2.61 1.15 0.10 3.45 1.11 -1.26 -0.93 119.66 120.67 1jwk s GLN 257 Ca -0.08 -1.51 -0.15 0.00 0.01 0.00 0.00 55.36 53.63 1jwk s GLN 257 Cb 0.05 -0.72 -0.08 0.00 -1.01 0.00 0.00 33.01 31.25 1jwk s GLN 257 CO 0.93 0.07 1.43 -0.07 0.01 0.00 0.00 175.29 177.66 1jwk h LEU 258 N 2.69 0.74 -8.28 2.90 4.07 -1.63 -3.42 115.31 112.39 1jwk h LEU 258 Ca -0.37 -0.46 -0.67 0.00 0.08 0.00 0.00 57.88 56.46 1jwk h LEU 258 Cb 1.20 -0.21 -0.33 0.00 1.08 0.00 0.00 40.66 42.41 1jwk h LEU 258 CO 0.63 1.05 -0.85 -0.63 -1.08 0.00 0.00 178.44 177.56 1jwk s ILE 259 N -4.40 2.26 -0.16 1.22 -1.09 -1.26 -4.89 121.20 112.89 1jwk s ILE 259 Ca -0.12 -0.91 -0.27 0.00 -2.23 0.00 0.00 60.65 57.11 1jwk s ILE 259 Cb 0.09 -1.92 0.07 0.00 -1.58 0.00 0.00 42.46 39.12 1jwk s ILE 259 CO 0.83 0.54 0.67 -0.60 -1.23 0.00 0.00 174.94 175.15 1jwk s ARG 260 N 0.76 0.92 0.28 2.79 6.06 -1.26 -4.87 118.95 123.63 1jwk s ARG 260 Ca -0.08 0.60 -0.13 0.00 -2.50 0.00 0.00 55.73 53.63 1jwk s ARG 260 Cb -0.16 0.44 -0.08 0.00 0.06 0.00 0.00 34.95 35.21 1jwk s ARG 260 CO -0.00 -0.20 0.67 0.71 -2.50 0.00 0.00 175.30 173.97 1jwk s TYR 261 N -0.39 3.40 0.59 5.12 2.02 -1.26 -0.53 117.35 126.29 1jwk s TYR 261 Ca -0.05 1.10 -0.09 0.00 -0.37 0.00 0.00 57.07 57.65 1jwk s TYR 261 Cb -0.03 -2.44 -0.03 0.00 -0.40 0.00 0.00 41.96 39.07 1jwk s TYR 261 CO 0.05 0.17 0.96 0.00 -1.57 0.00 0.00 175.55 175.16 1jwk s ALA 262 N -1.90 3.17 -0.07 3.71 0.00 0.42 -4.54 121.76 122.55 1jwk s ALA 262 Ca 0.51 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.25 1jwk s ALA 262 Cb -0.11 -2.92 0.01 0.00 0.00 0.00 0.00 23.12 20.10 1jwk s ALA 262 CO 0.19 -0.65 -0.15 0.20 0.00 0.00 0.00 175.76 175.35 1jwk s GLY 263 N -4.18 0.93 -0.03 0.00 0.00 -1.23 -1.01 107.32 101.80 1jwk s GLY 263 Ca 0.53 -0.57 0.06 0.00 0.00 0.00 0.00 44.72 44.74 1jwk s GLY 263 CO 0.51 -0.03 -0.21 -0.19 0.00 0.00 0.00 173.10 173.18 1jwk s TYR 264 N 0.53 1.97 -0.35 1.90 1.51 0.15 -4.31 117.35 118.76 1jwk s TYR 264 Ca -0.15 -0.49 -0.22 0.00 -1.01 0.00 0.00 57.07 55.21 1jwk s TYR 264 Cb -0.16 -1.29 0.00 0.00 -0.11 0.00 0.00 41.96 40.40 1jwk s TYR 264 CO 0.05 -0.12 0.70 -1.14 -1.11 0.00 0.00 175.55 173.93 1jwk s GLN 265 N -0.25 3.74 0.58 -0.62 2.00 -1.26 -0.11 119.66 123.74 1jwk s GLN 265 Ca 0.02 0.20 -0.07 0.00 -2.00 0.00 0.00 55.36 53.51 1jwk s GLN 265 Cb -0.11 -3.80 -0.01 0.00 0.80 0.00 0.00 33.01 29.90 1jwk s GLN 265 CO 0.01 -0.76 0.92 -1.64 -0.50 0.00 0.00 175.29 173.32 1jwk s MET 266 N 2.86 3.18 0.31 1.67 -1.94 -0.04 -4.98 119.30 120.37 1jwk s MET 266 Ca 0.28 0.24 0.02 0.00 -1.71 0.00 0.00 55.69 54.51 1jwk s MET 266 Cb -0.14 -2.23 0.56 0.00 2.01 0.00 0.00 34.83 35.04 1jwk s MET 266 CO 0.15 -0.60 1.92 -1.35 -0.01 0.00 0.00 175.02 175.12 1jwk h PRO 267 N -0.17 0.96 0.00 2.03 0.11 -1.97 -2.17 132.00 130.79 1jwk h PRO 267 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1jwk h PRO 267 Cb 1.23 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1jwk h PRO 267 CO 0.62 0.63 0.00 -0.40 -0.21 0.00 0.00 178.00 178.64 1jwk n ASP 268 N -4.49 0.00 0.00 -2.05 5.75 -1.26 -4.89 116.55 109.61 1jwk n ASP 268 Ca 0.13 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.63 1jwk n ASP 268 Cb 0.21 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1jwk n ASP 268 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jwk n GLY 269 N 0.71 3.40 3.84 6.12 0.00 -0.82 -5.06 105.19 113.37 1jwk n GLY 269 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1jwk n GLY 269 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jwk s THR 270 N -2.63 4.27 -0.17 2.61 -4.23 -1.26 -4.73 115.64 109.49 1jwk s THR 270 Ca 0.00 0.79 -0.07 0.00 -1.18 0.00 0.00 61.69 61.23 1jwk s THR 270 Cb 0.00 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 1jwk s THR 270 CO 0.00 -0.91 0.07 -0.63 -0.54 0.00 0.00 174.62 172.61 1jwk s ILE 271 N -3.00 4.85 -0.09 2.99 -1.09 -1.26 -0.86 121.20 122.74 1jwk s ILE 271 Ca 0.58 -0.02 0.01 0.00 -2.23 0.00 0.00 60.65 58.99 1jwk s ILE 271 Cb -0.13 -3.17 -0.02 0.00 -1.58 0.00 0.00 42.46 37.56 1jwk s ILE 271 CO 0.51 0.49 -0.12 -0.60 -1.23 0.00 0.00 174.94 173.99 1jwk s ARG 272 N 0.09 2.94 2.29 2.79 3.52 0.84 -4.95 118.95 126.48 1jwk s ARG 272 Ca 0.06 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 1jwk s ARG 272 Cb -0.12 -2.53 0.00 0.00 -1.56 0.00 0.00 34.95 30.74 1jwk s ARG 272 CO 0.01 0.45 0.00 0.41 -0.81 0.00 0.00 175.30 175.35 1jwk n GLY 273 N 2.84 -0.18 3.52 8.12 0.00 -1.26 0.32 105.19 118.55 1jwk n GLY 273 Ca -0.18 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1jwk n GLY 273 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jwk s ASP 274 N -4.00 6.21 0.61 1.61 -1.08 -0.18 -4.74 116.67 115.10 1jwk s ASP 274 Ca 0.00 -0.72 0.29 0.00 -0.52 0.00 0.00 52.55 51.59 1jwk s ASP 274 Cb 0.00 -2.52 1.51 0.00 -1.46 0.00 0.00 42.92 40.45 1jwk s ASP 274 CO 0.00 -1.69 1.90 0.00 0.52 0.00 0.00 175.17 175.91 1jwk h ALA 275 N 9.86 1.91 0.00 3.66 0.00 -1.79 0.88 119.26 133.77 1jwk h ALA 275 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jwk h ALA 275 Cb 1.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1jwk h ALA 275 CO 1.26 -0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1jwk h ALA 276 N 1.42 1.00 -0.41 0.00 0.00 -1.90 -3.25 119.26 116.13 1jwk h ALA 276 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1jwk h ALA 276 Cb 1.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1jwk h ALA 276 CO -0.00 0.00 0.01 0.25 0.00 0.00 0.00 179.25 179.51 1jwk n THR 277 N -2.35 2.52 0.14 0.00 -2.24 0.30 -4.75 114.28 107.90 1jwk n THR 277 Ca 0.04 -1.73 -0.15 0.00 -2.27 0.00 0.00 64.05 59.95 1jwk n THR 277 Cb 0.36 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.24 1jwk n THR 277 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1jwk h LEU 278 N 2.62 -1.18 -0.24 3.22 3.38 -1.68 0.53 115.31 121.97 1jwk h LEU 278 Ca 0.02 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1jwk h LEU 278 Cb 1.70 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 42.87 1jwk h LEU 278 CO 0.36 -0.49 0.15 -0.08 0.09 0.00 0.00 178.44 178.46 1jwk h GLU 279 N -0.68 0.29 -0.27 1.13 4.81 -1.89 -1.92 114.58 116.06 1jwk h GLU 279 Ca 0.01 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1jwk h GLU 279 Cb 0.68 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1jwk h GLU 279 CO -0.20 0.19 -0.19 0.35 -0.73 0.00 0.00 179.01 178.43 1jwk h PHE 280 N 0.30 0.54 -0.36 0.92 3.57 -1.88 -1.75 116.94 118.28 1jwk h PHE 280 Ca 0.09 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1jwk h PHE 280 Cb -0.02 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1jwk h PHE 280 CO -0.07 0.65 0.18 1.15 -2.23 0.00 0.00 178.31 178.00 1jwk h THR 281 N 0.44 1.16 -0.98 4.41 2.02 -0.62 -1.90 112.91 117.43 1jwk h THR 281 Ca 0.07 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 66.83 1jwk h THR 281 Cb 0.59 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1jwk h THR 281 CO 0.04 0.17 0.65 -0.61 0.37 0.00 0.00 175.52 176.14 1jwk h GLN 282 N 0.45 1.24 -0.39 6.66 5.75 -0.98 -1.45 115.11 126.39 1jwk h GLN 282 Ca 0.13 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1jwk h GLN 282 Cb 0.10 -0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 1jwk h GLN 282 CO -0.02 0.82 0.25 1.25 -2.65 0.00 0.00 178.83 178.48 1jwk h LEU 283 N 1.28 0.46 -1.19 -2.39 5.85 -0.85 0.20 115.31 118.68 1jwk h LEU 283 Ca 0.38 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.08 1jwk h LEU 283 Cb -0.06 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1jwk h LEU 283 CO -0.10 0.36 0.55 0.00 -0.34 0.00 0.00 178.44 178.91 1jwk h ILE 285 N 1.11 1.26 -0.07 0.00 2.04 -0.28 -0.63 117.51 120.93 1jwk h ILE 285 Ca 0.31 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 1jwk h ILE 285 Cb -0.09 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1jwk h ILE 285 CO -0.08 0.34 -0.10 0.44 0.00 0.00 0.00 178.15 178.75 1jwk h ASP 286 N 0.55 0.10 0.18 1.72 3.32 0.20 -2.13 116.42 120.35 1jwk h ASP 286 Ca 0.12 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1jwk h ASP 286 Cb 0.47 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1jwk h ASP 286 CO 0.02 0.21 -0.07 0.18 -1.72 0.00 0.00 179.24 177.87 1jwk n LEU 287 N -4.36 0.68 0.00 1.55 4.77 -0.33 -4.92 117.00 114.38 1jwk n LEU 287 Ca -0.02 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1jwk n LEU 287 Cb 0.21 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1jwk n LEU 287 CO 0.36 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1jwk n GLY 288 N 1.20 1.41 3.73 -0.72 0.00 -0.80 -4.81 105.19 105.19 1jwk n GLY 288 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1jwk n GLY 288 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1jwk n TRP 289 N 0.00 2.49 -3.43 1.61 -0.00 -0.28 -4.96 117.44 112.86 1jwk n TRP 289 Ca 0.00 0.48 -0.40 0.00 -0.00 0.00 0.00 57.50 57.58 1jwk n TRP 289 Cb 0.00 -2.44 -0.10 0.00 -0.00 0.00 0.00 31.31 28.78 1jwk n TRP 289 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1jwk s LYS 290 N -2.23 3.75 0.18 5.87 -0.14 -1.26 -4.28 119.74 121.63 1jwk s LYS 290 Ca 0.59 -0.28 -0.31 0.00 -1.36 0.00 0.00 55.97 54.61 1jwk s LYS 290 Cb -0.49 -3.74 -0.09 0.00 -1.68 0.00 0.00 37.83 31.83 1jwk s LYS 290 CO 0.59 -0.39 1.44 -1.25 -0.76 0.00 0.00 175.35 174.98 1jwk s PRO 291 N 1.98 4.29 0.00 -1.68 0.04 -1.26 -4.93 135.00 133.43 1jwk s PRO 291 Ca 0.12 2.21 0.19 0.00 0.04 0.00 0.00 61.00 63.56 1jwk s PRO 291 Cb -0.16 -3.18 0.16 0.00 0.04 0.00 0.00 34.50 31.36 1jwk s PRO 291 CO 0.11 -0.45 1.12 0.54 0.04 0.00 0.00 177.00 178.36 1jwk n ARG 292 N 3.31 1.69 -3.90 4.56 1.74 -1.26 -5.00 116.66 117.80 1jwk n ARG 292 Ca 0.10 -1.66 -0.31 0.00 -0.77 0.00 0.00 57.85 55.21 1jwk n ARG 292 Cb 0.41 -1.37 -0.02 0.00 -1.02 0.00 0.00 32.46 30.45 1jwk n ARG 292 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1jwk n TYR 293 N 1.09 -1.71 -3.31 -1.55 4.01 -1.26 -4.98 117.16 109.44 1jwk n TYR 293 Ca 0.11 0.64 -0.20 0.00 -0.16 0.00 0.00 57.90 58.29 1jwk n TYR 293 Cb 0.48 -2.71 0.01 0.00 -0.31 0.00 0.00 39.34 36.81 1jwk n TYR 293 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1jwk s GLY 294 N -3.03 2.01 0.29 2.72 0.00 -1.26 -5.03 107.32 103.03 1jwk s GLY 294 Ca 0.61 -1.80 0.15 0.00 0.00 0.00 0.00 44.72 43.68 1jwk s GLY 294 CO 0.75 -1.67 1.52 3.21 0.00 0.00 0.00 173.10 176.91 1jwk h ARG 295 N 0.65 0.00 -2.08 2.90 3.08 -1.93 -3.38 114.38 113.62 1jwk h ARG 295 Ca -0.37 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.15 1jwk h ARG 295 Cb 1.28 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.93 1jwk h ARG 295 CO 0.49 0.52 -1.01 1.19 -1.07 0.00 0.00 179.97 180.09 1jwk n PHE 296 N -3.33 1.29 -3.10 3.04 3.72 -1.26 -4.17 117.46 113.65 1jwk n PHE 296 Ca 0.01 -3.85 -0.42 0.00 -0.05 0.00 0.00 57.45 53.14 1jwk n PHE 296 Cb 0.69 -0.44 -0.06 0.00 -0.94 0.00 0.00 39.48 38.73 1jwk n PHE 296 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1jwk s ASP 297 N -2.54 6.46 -0.03 4.37 1.01 -1.26 -4.94 116.67 119.74 1jwk s ASP 297 Ca 0.42 0.26 -0.30 0.00 0.71 0.00 0.00 52.55 53.64 1jwk s ASP 297 Cb 0.30 -2.33 -0.06 0.00 1.01 0.00 0.00 42.92 41.83 1jwk s ASP 297 CO -0.09 -0.56 1.70 -0.69 0.21 0.00 0.00 175.17 175.73 1jwk s VAL 298 N 2.70 3.47 0.76 -1.27 1.01 -1.26 -0.44 120.40 125.37 1jwk s VAL 298 Ca 0.25 0.59 -0.13 0.00 0.00 0.00 0.00 61.98 62.70 1jwk s VAL 298 Cb -0.15 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 32.91 1jwk s VAL 298 CO 0.14 -0.05 1.13 -0.76 0.00 0.00 0.00 175.10 175.56 1jwk s LEU 299 N 4.02 3.16 0.47 3.92 1.43 0.31 -4.86 118.68 127.12 1jwk s LEU 299 Ca 0.76 2.07 -0.07 0.00 -1.03 0.00 0.00 54.13 55.86 1jwk s LEU 299 Cb -0.35 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.27 1jwk s LEU 299 CO 0.31 -2.20 0.79 -2.16 0.23 0.00 0.00 176.35 173.33 1jwk s PRO 300 N -4.40 3.61 -0.05 1.29 0.04 -1.26 -4.58 135.00 129.65 1jwk s PRO 300 Ca 0.67 0.31 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 1jwk s PRO 300 Cb -0.22 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 1jwk s PRO 300 CO 0.50 -0.18 1.04 -0.51 0.04 0.00 0.00 177.00 177.89 1jwk s LEU 301 N -4.50 4.30 -0.50 -3.56 1.43 0.28 -4.84 118.68 111.29 1jwk s LEU 301 Ca 0.49 1.64 -0.09 0.00 -1.03 0.00 0.00 54.13 55.15 1jwk s LEU 301 Cb -0.10 -3.56 0.13 0.00 0.03 0.00 0.00 46.19 42.68 1jwk s LEU 301 CO 0.41 -0.41 0.37 -0.69 0.23 0.00 0.00 176.35 176.27 1jwk s VAL 302 N 1.66 4.22 -0.16 -1.59 1.01 -1.26 -0.92 120.40 123.36 1jwk s VAL 302 Ca 0.51 -1.92 -0.06 0.00 0.00 0.00 0.00 61.98 60.50 1jwk s VAL 302 Cb -0.21 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1jwk s VAL 302 CO 0.22 -0.80 0.05 -0.76 0.00 0.00 0.00 175.10 173.82 1jwk s LEU 303 N 1.18 3.78 -0.24 3.92 1.43 -0.06 -1.43 118.68 127.26 1jwk s LEU 303 Ca 0.07 0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1jwk s LEU 303 Cb -0.25 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.04 1jwk s LEU 303 CO -0.02 0.21 -0.04 -1.58 0.23 0.00 0.00 176.35 175.16 1jwk s GLN 304 N 0.13 3.12 -0.03 1.70 0.74 0.04 -0.37 119.66 125.00 1jwk s GLN 304 Ca 0.04 -0.80 0.07 0.00 0.05 0.00 0.00 55.36 54.73 1jwk s GLN 304 Cb -0.12 -3.03 -0.02 0.00 1.10 0.00 0.00 33.01 30.94 1jwk s GLN 304 CO 0.01 -0.31 -0.25 0.00 -0.55 0.00 0.00 175.29 174.19 1jwk s ALA 305 N 1.42 2.20 -1.28 1.58 0.00 -1.26 -0.39 121.76 124.02 1jwk s ALA 305 Ca 0.03 -1.10 -0.08 0.00 0.00 0.00 0.00 51.96 50.82 1jwk s ALA 305 Cb -0.15 -0.61 0.06 0.00 0.00 0.00 0.00 23.12 22.41 1jwk s ALA 305 CO -0.03 0.51 0.45 -3.47 0.00 0.00 0.00 175.76 173.22 1jwk n ASP 306 N 2.52 -4.01 0.00 0.00 2.03 -1.24 -1.57 116.55 114.28 1jwk n ASP 306 Ca -0.16 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 54.84 1jwk n ASP 306 Cb 0.51 -3.32 0.00 0.00 -0.72 0.00 0.00 41.12 37.60 1jwk n ASP 306 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jwk n GLY 307 N -1.17 1.06 3.92 0.27 0.00 -0.40 -4.54 105.19 104.32 1jwk n GLY 307 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1jwk n GLY 307 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jwk s GLN 308 N -0.15 2.11 0.39 1.61 -0.21 -0.61 -4.90 119.66 117.91 1jwk s GLN 308 Ca 0.00 -0.14 -0.25 0.00 0.02 0.00 0.00 55.36 54.99 1jwk s GLN 308 Cb 0.00 -2.10 -0.12 0.00 1.00 0.00 0.00 33.01 31.80 1jwk s GLN 308 CO 0.00 -1.36 0.96 -0.25 -2.12 0.00 0.00 175.29 172.52 1jwk n ASP 309 N -3.06 1.06 -4.77 5.90 8.00 -1.26 -4.27 116.55 118.16 1jwk n ASP 309 Ca 0.08 1.06 -0.39 0.00 0.71 0.00 0.00 54.79 56.25 1jwk n ASP 309 Cb 0.61 -1.31 -0.02 0.00 -0.02 0.00 0.00 41.12 40.37 1jwk n ASP 309 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1jwk s PRO 310 N -1.86 4.15 0.02 -0.24 0.04 -1.26 -4.68 135.00 131.18 1jwk s PRO 310 Ca 0.62 1.95 0.07 0.00 0.04 0.00 0.00 61.00 63.68 1jwk s PRO 310 Cb -0.59 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1jwk s PRO 310 CO 0.58 -0.27 -0.18 -1.21 0.04 0.00 0.00 177.00 175.96 1jwk s GLU 311 N -2.11 2.14 0.11 4.56 2.02 0.51 -4.88 118.70 121.05 1jwk s GLU 311 Ca 0.54 -0.93 -0.18 0.00 0.02 0.00 0.00 54.97 54.43 1jwk s GLU 311 Cb -0.34 -2.21 -0.07 0.00 0.10 0.00 0.00 34.13 31.62 1jwk s GLU 311 CO 0.43 0.56 0.57 0.08 0.02 0.00 0.00 175.26 176.92 1jwk s VAL 312 N -0.87 4.77 -0.16 2.63 1.01 -1.26 -0.89 120.40 125.63 1jwk s VAL 312 Ca 0.14 1.09 -0.04 0.00 0.00 0.00 0.00 61.98 63.16 1jwk s VAL 312 Cb -0.10 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.52 1jwk s VAL 312 CO 0.04 0.42 0.24 -0.36 0.00 0.00 0.00 175.10 175.44 1jwk s PHE 313 N -1.27 -0.36 0.23 5.22 0.08 -0.09 -4.98 117.98 116.80 1jwk s PHE 313 Ca 0.33 0.62 -0.30 0.00 0.12 0.00 0.00 56.93 57.70 1jwk s PHE 313 Cb -0.18 -0.19 -0.09 0.00 -0.57 0.00 0.00 43.02 41.99 1jwk s PHE 313 CO 0.19 -0.47 1.38 -1.21 -0.10 0.00 0.00 175.22 175.02 1jwk s GLU 314 N 2.38 4.32 -0.01 0.44 0.41 -1.26 -0.56 118.70 124.42 1jwk s GLU 314 Ca 0.05 2.19 -0.30 0.00 -0.41 0.00 0.00 54.97 56.50 1jwk s GLU 314 Cb -0.14 -3.15 -0.03 0.00 -1.78 0.00 0.00 34.13 29.03 1jwk s GLU 314 CO -0.10 -0.35 1.07 0.42 -0.49 0.00 0.00 175.26 175.82 1jwk s ILE 315 N 0.04 4.55 -0.02 -1.63 1.01 -1.26 -4.90 121.20 118.99 1jwk s ILE 315 Ca 0.58 1.83 -0.30 0.00 0.00 0.00 0.00 60.65 62.77 1jwk s ILE 315 Cb -0.40 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 37.82 1jwk s ILE 315 CO 0.41 0.10 2.00 -2.84 0.00 0.00 0.00 174.94 174.61 1jwk s PRO 316 N 1.37 3.93 0.34 2.79 0.02 -1.26 -4.88 135.00 137.31 1jwk s PRO 316 Ca 0.54 2.46 0.15 0.00 0.02 0.00 0.00 61.00 64.17 1jwk s PRO 316 Cb -0.23 -4.20 1.12 0.00 0.02 0.00 0.00 34.50 31.21 1jwk s PRO 316 CO 0.26 -1.20 1.65 -1.35 -0.33 0.00 0.00 177.00 176.03 1jwk h PRO 317 N 11.49 0.26 -0.20 5.54 0.11 -1.95 0.28 132.00 147.54 1jwk h PRO 317 Ca -0.47 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.68 1jwk h PRO 317 Cb 1.23 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1jwk h PRO 317 CO 0.95 0.17 0.17 -0.44 -0.21 0.00 0.00 178.00 178.64 1jwk h ASP 318 N 0.27 0.00 1.84 -2.05 3.32 -2.04 -1.04 116.42 116.72 1jwk h ASP 318 Ca 0.75 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.80 1jwk h ASP 318 Cb 1.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.30 1jwk h ASP 318 CO -0.63 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 176.82 1jwk h LEU 319 N 0.00 0.00 -8.14 1.55 3.38 -1.31 -3.42 115.31 107.37 1jwk h LEU 319 Ca 0.10 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.36 1jwk h LEU 319 Cb 0.44 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.99 1jwk h LEU 319 CO -0.00 0.00 0.13 -0.69 0.09 0.00 0.00 178.44 177.97 1jwk s VAL 320 N -3.24 4.85 0.01 1.22 1.01 -0.39 -4.80 120.40 119.06 1jwk s VAL 320 Ca 0.07 -1.08 -0.27 0.00 0.00 0.00 0.00 61.98 60.70 1jwk s VAL 320 Cb 0.06 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1jwk s VAL 320 CO 0.65 -1.13 0.87 -0.22 0.00 0.00 0.00 175.10 175.26 1jwk s LEU 321 N 2.58 4.40 0.25 3.92 2.96 -1.26 -5.01 118.68 126.51 1jwk s LEU 321 Ca 0.12 1.53 0.08 0.00 -0.22 0.00 0.00 54.13 55.64 1jwk s LEU 321 Cb -0.23 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 1jwk s LEU 321 CO 0.05 -0.13 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.21 1jwk s GLU 322 N 0.56 1.49 -0.12 1.98 2.02 -1.26 -1.53 118.70 121.83 1jwk s GLU 322 Ca 0.45 -1.70 0.02 0.00 0.02 0.00 0.00 54.97 53.75 1jwk s GLU 322 Cb -0.21 -1.28 0.01 0.00 0.10 0.00 0.00 34.13 32.76 1jwk s GLU 322 CO 0.25 0.16 -0.17 0.08 0.02 0.00 0.00 175.26 175.60 1jwk s VAL 323 N -2.88 1.66 -0.01 2.63 1.01 -0.05 -4.89 120.40 117.86 1jwk s VAL 323 Ca 0.27 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 1jwk s VAL 323 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1jwk s VAL 323 CO 0.10 0.47 0.95 -0.89 0.00 0.00 0.00 175.10 175.74 1jwk s THR 324 N 0.98 4.89 -0.18 3.92 2.01 -1.26 -2.15 115.64 123.85 1jwk s THR 324 Ca -0.06 2.00 -0.29 0.00 0.31 0.00 0.00 61.69 63.65 1jwk s THR 324 Cb -0.15 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.07 1jwk s THR 324 CO -0.02 0.17 1.02 -0.04 -0.69 0.00 0.00 174.62 175.05 1jwk s MET 325 N 0.99 4.32 0.06 4.92 -1.94 -0.31 -4.84 119.30 122.50 1jwk s MET 325 Ca 0.51 1.36 0.03 0.00 -1.71 0.00 0.00 55.69 55.88 1jwk s MET 325 Cb -0.21 -3.60 -0.03 0.00 2.01 0.00 0.00 34.83 33.00 1jwk s MET 325 CO 0.27 -0.50 -0.10 -1.21 -0.01 0.00 0.00 175.02 173.47 1jwk s GLU 326 N 2.72 0.66 -0.08 2.03 2.02 -1.26 -4.02 118.70 120.77 1jwk s GLU 326 Ca 0.45 -0.87 -0.02 0.00 0.02 0.00 0.00 54.97 54.55 1jwk s GLU 326 Cb -0.16 -0.50 -0.03 0.00 0.10 0.00 0.00 34.13 33.53 1jwk s GLU 326 CO 0.11 0.10 0.00 -1.58 0.02 0.00 0.00 175.26 173.91 1jwk s HIS 327 N -1.47 3.15 0.01 1.61 5.65 -1.26 -4.32 115.29 118.66 1jwk s HIS 327 Ca -0.05 0.19 0.31 0.00 0.25 0.00 0.00 55.06 55.75 1jwk s HIS 327 Cb -0.09 -1.78 1.47 0.00 -1.18 0.00 0.00 32.58 31.00 1jwk s HIS 327 CO 0.01 0.47 1.93 -1.00 -0.65 0.00 0.00 174.74 175.50 1jwk h PRO 328 N 5.14 0.00 0.00 2.88 0.13 -1.92 -3.35 132.00 134.88 1jwk h PRO 328 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1jwk h PRO 328 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1jwk h PRO 328 CO 0.54 0.00 -0.94 1.63 -0.23 0.00 0.00 178.00 179.00 1jwk n LYS 329 N -2.68 0.00 -2.87 0.86 4.76 -1.26 -4.98 118.16 111.98 1jwk n LYS 329 Ca -0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 1jwk n LYS 329 Cb 0.17 -0.88 -0.04 0.00 -1.84 0.00 0.00 35.03 32.44 1jwk n LYS 329 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1jwk s TYR 330 N -1.95 2.87 0.34 2.13 4.12 -1.26 -4.90 117.35 118.71 1jwk s TYR 330 Ca 0.00 0.08 0.21 0.00 0.02 0.00 0.00 57.07 57.39 1jwk s TYR 330 Cb 0.00 -3.95 1.08 0.00 -1.52 0.00 0.00 41.96 37.57 1jwk s TYR 330 CO 0.00 -1.21 1.93 0.93 0.02 0.00 0.00 175.55 177.22 1jwk h GLU 331 N 9.18 0.00 0.00 -0.62 5.08 -1.94 -2.43 114.58 123.85 1jwk h GLU 331 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1jwk h GLU 331 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1jwk h GLU 331 CO 1.04 0.23 0.00 -2.67 -1.00 0.00 0.00 179.01 176.61 1jwk n TRP 332 N -3.75 0.22 -0.19 4.33 4.27 -1.26 -3.38 117.44 117.68 1jwk n TRP 332 Ca -0.01 0.08 -0.07 0.00 -3.89 0.00 0.00 57.50 53.61 1jwk n TRP 332 Cb 0.34 -0.64 0.02 0.00 -1.36 0.00 0.00 31.31 29.67 1jwk n TRP 332 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1jwk h PHE 333 N 0.00 0.79 0.00 -2.67 3.57 -1.81 -1.98 116.94 114.85 1jwk h PHE 333 Ca 0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1jwk h PHE 333 Cb 0.31 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1jwk h PHE 333 CO 0.00 0.62 0.00 -0.56 -2.23 0.00 0.00 178.31 176.14 1jwk h GLN 334 N 0.74 0.00 0.00 1.11 3.07 -1.69 -1.26 115.11 117.09 1jwk h GLN 334 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.93 1jwk h GLN 334 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.68 1jwk h GLN 334 CO -0.02 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.29 1jwk n GLU 335 N -2.98 0.01 0.18 0.06 1.02 -0.75 -1.78 120.64 116.42 1jwk n GLU 335 Ca -0.01 0.23 0.13 0.00 -0.02 0.00 0.00 57.16 57.49 1jwk n GLU 335 Cb 0.19 -1.50 0.34 0.00 -0.02 0.00 0.00 31.44 30.46 1jwk n GLU 335 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1jwk h LEU 336 N 0.00 0.00 1.16 -4.62 3.38 -1.30 -3.47 115.31 110.46 1jwk h LEU 336 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1jwk h LEU 336 Cb 0.26 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.04 1jwk h LEU 336 CO 0.00 0.00 -0.49 0.61 0.09 0.00 0.00 178.44 178.65 1jwk n GLY 337 N 0.92 -0.32 3.90 0.83 0.00 -0.73 -5.00 105.19 104.78 1jwk n GLY 337 Ca 0.04 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1jwk n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jwk s LEU 338 N -5.47 4.07 0.17 0.99 1.43 -1.26 -5.01 118.68 113.60 1jwk s LEU 338 Ca 0.19 0.75 -0.24 0.00 -1.03 0.00 0.00 54.13 53.80 1jwk s LEU 338 Cb -0.08 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.63 1jwk s LEU 338 CO 0.24 -0.18 0.84 -1.59 0.23 0.00 0.00 176.35 175.89 1jwk s LYS 339 N -3.45 1.34 0.07 1.70 -2.85 -1.26 -1.16 119.74 114.14 1jwk s LYS 339 Ca 0.44 -0.70 -0.18 0.00 -1.00 0.00 0.00 55.97 54.54 1jwk s LYS 339 Cb -0.11 0.48 0.04 0.00 -2.06 0.00 0.00 37.83 36.18 1jwk s LYS 339 CO 0.29 -0.61 0.41 -0.46 0.10 0.00 0.00 175.35 175.08 1jwk s TRP 340 N -3.51 -0.25 0.52 1.78 -0.11 -0.91 -4.96 118.94 111.50 1jwk s TRP 340 Ca 0.10 0.11 -0.18 0.00 1.22 0.00 0.00 56.10 57.35 1jwk s TRP 340 Cb -0.03 0.24 -0.07 0.00 -1.50 0.00 0.00 33.47 32.11 1jwk s TRP 340 CO 0.01 -0.62 1.03 1.52 -4.62 0.00 0.00 176.95 174.26 1jwk s TYR 341 N -2.97 3.10 -0.46 5.86 1.13 -1.26 -0.87 117.35 121.88 1jwk s TYR 341 Ca -0.02 1.54 0.23 0.00 -1.41 0.00 0.00 57.07 57.41 1jwk s TYR 341 Cb 0.00 -2.98 0.24 0.00 -1.10 0.00 0.00 41.96 38.12 1jwk s TYR 341 CO -0.06 -0.77 1.29 0.00 -2.51 0.00 0.00 175.55 173.49 1jwk h ALA 342 N 1.12 0.64 -2.63 9.51 0.00 -1.62 -3.46 119.26 122.82 1jwk h ALA 342 Ca -0.48 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 53.72 1jwk h ALA 342 Cb 1.21 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 1jwk h ALA 342 CO 0.59 0.00 -0.47 -1.17 0.00 0.00 0.00 179.25 178.20 1jwk s LEU 343 N -4.99 4.91 -0.39 0.00 2.96 -1.26 -4.55 118.68 115.36 1jwk s LEU 343 Ca 0.04 -0.90 -0.21 0.00 -0.22 0.00 0.00 54.13 52.83 1jwk s LEU 343 Cb 0.11 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.70 1jwk s LEU 343 CO 0.73 -0.41 0.67 -2.16 -1.32 0.00 0.00 176.35 173.86 1jwk s PRO 344 N 1.63 3.54 -0.08 0.98 0.04 -1.26 -4.62 135.00 135.23 1jwk s PRO 344 Ca 0.04 -0.06 -0.02 0.00 0.04 0.00 0.00 61.00 61.00 1jwk s PRO 344 Cb -0.19 -3.86 0.03 0.00 0.04 0.00 0.00 34.50 30.52 1jwk s PRO 344 CO 0.09 -0.87 0.02 0.00 0.04 0.00 0.00 177.00 176.28 1jwk s ALA 345 N 2.84 0.59 -0.18 8.56 0.00 -1.26 -3.09 121.76 129.22 1jwk s ALA 345 Ca 0.25 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 1jwk s ALA 345 Cb -0.14 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1jwk s ALA 345 CO 0.17 -0.56 1.03 0.08 0.00 0.00 0.00 175.76 176.48 1jwk s VAL 346 N 2.02 4.72 -0.03 0.00 1.01 0.05 -1.60 120.40 126.57 1jwk s VAL 346 Ca 0.04 2.03 0.17 0.00 0.00 0.00 0.00 61.98 64.23 1jwk s VAL 346 Cb -0.13 -4.31 -0.27 0.00 0.00 0.00 0.00 36.38 31.67 1jwk s VAL 346 CO -0.05 -0.11 0.37 0.00 0.00 0.00 0.00 175.10 175.31 1jwk n ALA 347 N 5.80 2.60 -0.61 5.51 0.00 -0.10 -1.64 120.51 132.06 1jwk n ALA 347 Ca 0.11 -0.45 0.08 0.00 0.00 0.00 0.00 53.44 53.18 1jwk n ALA 347 Cb 0.47 -0.58 0.28 0.00 0.00 0.00 0.00 19.45 19.62 1jwk n ALA 347 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jwk n ASN 348 N -2.13 4.03 -4.93 0.00 2.04 -1.22 -4.40 115.26 108.65 1jwk n ASN 348 Ca -0.04 -2.49 -0.25 0.00 -0.44 0.00 0.00 54.58 51.35 1jwk n ASN 348 Cb 0.49 -0.47 0.02 0.00 -2.53 0.00 0.00 39.78 37.28 1jwk n ASN 348 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1jwk s MET 349 N -1.91 3.01 -0.14 -3.83 -1.94 -1.26 -4.35 119.30 108.88 1jwk s MET 349 Ca 0.41 -0.19 -0.01 0.00 -1.71 0.00 0.00 55.69 54.19 1jwk s MET 349 Cb 0.28 -2.39 -0.01 0.00 2.01 0.00 0.00 34.83 34.71 1jwk s MET 349 CO 0.18 -0.50 -0.12 -1.17 -0.01 0.00 0.00 175.02 173.39 1jwk s LEU 350 N -4.80 2.75 -0.37 -0.03 0.20 0.07 -4.10 118.68 112.40 1jwk s LEU 350 Ca 0.51 -0.32 -0.19 0.00 0.69 0.00 0.00 54.13 54.83 1jwk s LEU 350 Cb -0.10 -1.63 0.00 0.00 -0.43 0.00 0.00 46.19 44.03 1jwk s LEU 350 CO 0.42 0.16 0.54 -0.22 -0.29 0.00 0.00 176.35 176.95 1jwk s LEU 351 N 0.40 4.42 -0.19 -0.68 2.96 -0.70 -0.12 118.68 124.76 1jwk s LEU 351 Ca -0.10 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.59 1jwk s LEU 351 Cb -0.16 -2.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.88 1jwk s LEU 351 CO 0.05 -0.55 0.11 -0.70 -1.32 0.00 0.00 176.35 173.94 1jwk s GLU 352 N 2.46 4.11 -0.23 1.98 -6.30 0.03 -0.87 118.70 119.88 1jwk s GLU 352 Ca 0.19 -0.27 -0.09 0.00 -2.50 0.00 0.00 54.97 52.30 1jwk s GLU 352 Cb -0.15 -3.35 0.10 0.00 0.00 0.00 0.00 34.13 30.73 1jwk s GLU 352 CO 0.14 0.28 0.52 0.54 0.02 0.00 0.00 175.26 176.77 1jwk s VAL 353 N 0.39 -0.55 -1.57 3.70 0.11 -0.46 -1.69 120.40 120.32 1jwk s VAL 353 Ca 0.06 0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 59.07 1jwk s VAL 353 Cb -0.12 -0.80 0.10 0.00 -1.53 0.00 0.00 36.38 34.03 1jwk s VAL 353 CO -0.01 0.03 0.81 0.61 -3.33 0.00 0.00 175.10 173.21 1jwk n GLY 354 N 5.07 -0.42 2.49 6.54 0.00 -1.26 -0.40 105.19 117.21 1jwk n GLY 354 Ca -0.14 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1jwk n GLY 354 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jwk n GLY 355 N -1.61 2.53 3.89 -0.02 0.00 -1.26 -3.28 105.19 105.43 1jwk n GLY 355 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1jwk n GLY 355 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jwk s LEU 356 N 0.00 4.00 -0.08 0.99 1.43 0.46 -4.94 118.68 120.55 1jwk s LEU 356 Ca 0.00 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.03 1jwk s LEU 356 Cb 0.00 -3.75 0.02 0.00 0.03 0.00 0.00 46.19 42.49 1jwk s LEU 356 CO 0.00 -0.24 -0.08 -1.61 0.23 0.00 0.00 176.35 174.64 1jwk s GLU 357 N -3.49 1.42 -0.56 1.70 2.02 -1.26 -1.36 118.70 117.17 1jwk s GLU 357 Ca 0.48 -0.27 -0.02 0.00 0.02 0.00 0.00 54.97 55.18 1jwk s GLU 357 Cb -0.11 -1.34 0.15 0.00 0.10 0.00 0.00 34.13 32.93 1jwk s GLU 357 CO 0.28 -0.12 0.37 -0.06 0.02 0.00 0.00 175.26 175.75 1jwk s PHE 358 N 1.16 3.43 -0.37 1.61 0.40 -0.05 -0.16 117.98 124.01 1jwk s PHE 358 Ca -0.06 -2.71 0.19 0.00 -0.60 0.00 0.00 56.93 53.75 1jwk s PHE 358 Cb -0.14 -3.16 0.98 0.00 0.51 0.00 0.00 43.02 41.20 1jwk s PHE 358 CO -0.02 -0.86 1.58 -2.30 0.70 0.00 0.00 175.22 174.32 1jwk n PRO 359 N 3.69 0.13 -3.74 0.24 -0.02 -1.26 -1.72 135.00 132.30 1jwk n PRO 359 Ca 0.05 0.58 -0.28 0.00 -2.02 0.00 0.00 63.50 61.83 1jwk n PRO 359 Cb 0.38 -1.87 -0.16 0.00 -0.02 0.00 0.00 33.50 31.82 1jwk n PRO 359 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jwk s ALA 360 N -3.43 1.08 -0.48 3.55 0.00 -1.21 -4.64 121.76 116.63 1jwk s ALA 360 Ca -0.01 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.21 1jwk s ALA 360 Cb 0.06 -1.23 0.23 0.00 0.00 0.00 0.00 23.12 22.19 1jwk s ALA 360 CO 0.20 -1.22 0.81 0.00 0.00 0.00 0.00 175.76 175.56 1jwk s PRO 362 N 0.51 3.84 0.07 0.00 0.04 -1.19 -4.73 135.00 133.54 1jwk s PRO 362 Ca 0.32 2.22 -0.05 0.00 0.04 0.00 0.00 61.00 63.53 1jwk s PRO 362 Cb 0.18 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 1jwk s PRO 362 CO -0.20 -0.62 0.08 -0.59 0.04 0.00 0.00 177.00 175.71 1jwk s PHE 363 N -1.26 0.32 0.12 0.56 -0.12 -0.65 -1.64 117.98 115.31 1jwk s PHE 363 Ca 0.59 -0.79 -0.08 0.00 -0.05 0.00 0.00 56.93 56.60 1jwk s PHE 363 Cb -0.39 -0.21 -0.01 0.00 -0.63 0.00 0.00 43.02 41.78 1jwk s PHE 363 CO 0.50 -0.45 0.21 0.54 -0.05 0.00 0.00 175.22 175.97 1jwk s ASN 364 N -2.80 0.12 0.00 1.98 4.22 -0.21 -0.77 114.94 117.49 1jwk s ASN 364 Ca 0.05 -0.78 0.00 0.00 -2.14 0.00 0.00 52.86 49.98 1jwk s ASN 364 Cb 0.06 0.37 0.00 0.00 1.28 0.00 0.00 41.25 42.95 1jwk s ASN 364 CO -0.10 -0.79 0.00 0.61 -2.04 0.00 0.00 177.10 174.79 1jwk n GLY 365 N -0.11 5.55 3.46 0.45 0.00 -1.18 -2.40 105.19 110.96 1jwk n GLY 365 Ca -0.12 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 1jwk n GLY 365 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1jwk s TRP 366 N 1.53 2.23 0.54 1.61 -2.14 -1.26 -4.42 118.94 117.03 1jwk s TRP 366 Ca 0.00 -0.38 -0.20 0.00 2.66 0.00 0.00 56.10 58.18 1jwk s TRP 366 Cb 0.00 -1.01 -0.06 0.00 -3.10 0.00 0.00 33.47 29.30 1jwk s TRP 366 CO 0.00 0.66 1.12 0.71 -2.66 0.00 0.00 176.95 176.78 1jwk s TYR 367 N -2.58 2.69 -0.20 1.66 2.02 -1.26 -4.92 117.35 114.76 1jwk s TYR 367 Ca 0.29 1.55 -0.04 0.00 -0.37 0.00 0.00 57.07 58.50 1jwk s TYR 367 Cb -0.04 -3.27 -0.02 0.00 -0.40 0.00 0.00 41.96 38.23 1jwk s TYR 367 CO 0.14 -1.52 -0.02 1.41 -1.57 0.00 0.00 175.55 173.99 1jwk s MET 368 N -3.28 3.54 0.20 -0.62 -2.45 -1.26 -2.03 119.30 113.39 1jwk s MET 368 Ca 0.72 -0.56 -0.07 0.00 -1.25 0.00 0.00 55.69 54.53 1jwk s MET 368 Cb -0.23 -3.02 0.30 0.00 1.25 0.00 0.00 34.83 33.13 1jwk s MET 368 CO 0.26 -0.02 1.13 0.41 1.05 0.00 0.00 175.02 177.85 1jwk n GLY 369 N 4.31 -1.27 0.33 2.11 0.00 -0.28 -0.97 105.19 109.41 1jwk n GLY 369 Ca -0.17 0.78 0.22 0.00 0.00 0.00 0.00 46.02 46.84 1jwk n GLY 369 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1jwk h THR 370 N 0.00 0.08 -0.61 2.61 1.35 -1.94 -0.89 112.91 113.51 1jwk h THR 370 Ca 0.33 -0.03 -0.01 0.00 -0.55 0.00 0.00 66.41 66.15 1jwk h THR 370 Cb 0.51 1.02 -0.03 0.00 -1.73 0.00 0.00 68.15 67.92 1jwk h THR 370 CO -0.74 0.00 0.33 -0.33 -0.25 0.00 0.00 175.52 174.53 1jwk h GLU 371 N 0.00 0.85 0.00 4.72 5.08 -1.47 0.10 114.58 123.87 1jwk h GLU 371 Ca -0.00 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1jwk h GLU 371 Cb 0.02 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1jwk h GLU 371 CO 0.00 0.65 -0.62 0.82 -1.00 0.00 0.00 179.01 178.87 1jwk h ILE 372 N 0.83 0.52 -0.61 3.13 2.04 -1.57 -1.26 117.51 120.59 1jwk h ILE 372 Ca 0.21 -1.56 0.04 0.00 1.00 0.00 0.00 64.86 64.56 1jwk h ILE 372 Cb 0.05 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1jwk h ILE 372 CO -0.03 0.18 0.40 1.23 0.00 0.00 0.00 178.15 179.92 1jwk h GLY 373 N -1.00 0.79 0.00 5.37 0.00 -1.26 0.25 103.07 107.22 1jwk h GLY 373 Ca -0.12 -0.27 -0.23 0.00 0.00 0.00 0.00 47.33 46.71 1jwk h GLY 373 CO -0.07 0.23 -1.71 -0.62 0.00 0.00 0.00 176.54 174.37 1jwk n VAL 374 N -4.47 1.34 0.14 4.60 0.31 0.31 -3.93 118.33 116.62 1jwk n VAL 374 Ca 0.08 -0.12 -0.07 0.00 -0.01 0.00 0.00 64.34 64.22 1jwk n VAL 374 Cb 0.16 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 31.08 1jwk n VAL 374 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1jwk h ARG 375 N -0.83 -0.42 0.08 5.55 2.47 -1.34 -1.53 114.38 118.37 1jwk h ARG 375 Ca -0.35 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.40 1jwk h ARG 375 Cb 1.24 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.64 1jwk h ARG 375 CO -0.21 -0.28 -0.10 -0.44 0.56 0.00 0.00 179.97 179.50 1jwk h ASP 376 N -1.08 -0.26 0.97 7.04 3.32 -1.13 -1.89 116.42 123.39 1jwk h ASP 376 Ca -0.04 0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.84 1jwk h ASP 376 Cb 0.33 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1jwk h ASP 376 CO 0.07 -0.15 -1.09 -0.26 -1.72 0.00 0.00 179.24 176.10 1jwk h PHE 377 N -0.20 0.00 0.00 4.55 0.04 -1.13 -2.58 116.94 117.62 1jwk h PHE 377 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1jwk h PHE 377 Cb 0.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1jwk h PHE 377 CO -0.12 0.80 -1.01 0.00 -0.60 0.00 0.00 178.31 177.38 1jwk s ASP 379 N -2.81 6.62 0.39 0.00 1.11 -0.71 -4.70 116.67 116.57 1jwk s ASP 379 Ca 0.02 2.80 0.10 0.00 0.18 0.00 0.00 52.55 55.64 1jwk s ASP 379 Cb 0.10 -2.65 0.80 0.00 1.07 0.00 0.00 42.92 42.24 1jwk s ASP 379 CO 0.60 -0.66 1.93 0.71 1.18 0.00 0.00 175.17 178.92 1jwk h THR 380 N 3.08 1.17 -0.20 -1.27 1.35 -1.93 -2.35 112.91 112.76 1jwk h THR 380 Ca -0.49 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 1jwk h THR 380 Cb 1.23 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1jwk h THR 380 CO 0.67 0.23 0.00 0.00 -0.25 0.00 0.00 175.52 176.17 1jwk n GLN 381 N -4.29 1.66 0.00 4.72 0.00 -1.26 -4.54 117.38 113.67 1jwk n GLN 381 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 57.00 56.20 1jwk n GLN 381 Cb 0.26 -1.32 0.00 0.00 0.00 0.00 0.00 30.24 29.18 1jwk n GLN 381 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1jwk n ARG 382 N 0.13 0.04 0.17 2.61 5.12 -0.91 -3.64 116.66 120.18 1jwk n ARG 382 Ca 0.07 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.13 1jwk n ARG 382 Cb 0.27 0.00 0.50 0.00 -1.16 0.00 0.00 32.46 32.07 1jwk n ARG 382 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1jwk h TYR 383 N 0.00 0.00 -7.00 -1.55 -1.99 -1.60 -3.40 116.97 101.43 1jwk h TYR 383 Ca 0.00 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.19 1jwk h TYR 383 Cb 0.00 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.68 1jwk h TYR 383 CO 0.00 0.00 -0.89 -1.71 -0.00 0.00 0.00 178.16 175.56 1jwk n ASN 384 N -2.51 -2.77 -0.86 3.88 5.15 -1.06 -4.88 115.26 112.22 1jwk n ASN 384 Ca 0.02 -1.16 0.12 0.00 -0.60 0.00 0.00 54.58 52.97 1jwk n ASN 384 Cb 0.30 -1.40 0.26 0.00 -0.53 0.00 0.00 39.78 38.42 1jwk n ASN 384 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1jwk n ILE 385 N -4.54 0.19 -0.06 -1.44 -5.35 -0.36 -4.61 119.36 103.19 1jwk n ILE 385 Ca -0.13 -0.50 -0.07 0.00 -0.27 0.00 0.00 62.75 61.77 1jwk n ILE 385 Cb 0.52 0.95 -0.01 0.00 -1.74 0.00 0.00 39.64 39.36 1jwk n ILE 385 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1jwk h LEU 386 N 3.76 -0.46 -0.82 7.28 5.85 -1.87 -1.86 115.31 127.19 1jwk h LEU 386 Ca 0.00 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 1jwk h LEU 386 Cb 0.81 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1jwk h LEU 386 CO 0.00 -0.17 0.15 -0.08 -0.34 0.00 0.00 178.44 177.99 1jwk h GLU 387 N -0.11 1.03 -0.21 1.25 4.81 -1.98 -1.23 114.58 118.14 1jwk h GLU 387 Ca 0.14 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1jwk h GLU 387 Cb 0.32 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1jwk h GLU 387 CO -0.33 0.92 0.11 1.49 -0.73 0.00 0.00 179.01 180.47 1jwk h GLU 388 N 0.98 0.30 -0.56 1.92 4.57 -1.81 -1.18 114.58 118.81 1jwk h GLU 388 Ca 0.20 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.27 1jwk h GLU 388 Cb 0.36 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1jwk h GLU 388 CO 0.00 0.30 0.06 0.28 -1.18 0.00 0.00 179.01 178.47 1jwk h VAL 389 N 0.23 1.25 -0.36 0.32 2.07 -1.18 -1.14 116.25 117.44 1jwk h VAL 389 Ca 0.07 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1jwk h VAL 389 Cb 0.09 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1jwk h VAL 389 CO -0.01 0.36 0.15 1.23 0.02 0.00 0.00 177.57 179.32 1jwk h GLY 390 N 1.00 0.58 1.51 2.17 0.00 -1.00 -1.41 103.07 105.92 1jwk h GLY 390 Ca 0.17 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1jwk h GLY 390 CO 0.01 0.30 -0.09 -0.09 0.00 0.00 0.00 176.54 176.67 1jwk h ARG 391 N 0.44 0.59 -0.14 4.80 2.43 -0.99 -1.88 114.38 119.63 1jwk h ARG 391 Ca 0.12 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 1jwk h ARG 391 Cb 0.18 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1jwk h ARG 391 CO -0.01 0.68 -0.27 0.00 -1.51 0.00 0.00 179.97 178.86 1jwk h ARG 392 N 0.55 0.26 -0.00 0.20 2.47 -0.89 -1.26 114.38 115.72 1jwk h ARG 392 Ca 0.10 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1jwk h ARG 392 Cb 0.48 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1jwk h ARG 392 CO 0.03 0.52 -0.02 -1.33 0.56 0.00 0.00 179.97 179.73 1jwk n MET 393 N -4.14 0.66 -2.93 0.04 2.81 -0.56 -4.92 117.12 108.07 1jwk n MET 393 Ca -0.01 -0.06 -0.11 0.00 -1.81 0.00 0.00 57.70 55.70 1jwk n MET 393 Cb 0.38 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.45 1jwk n MET 393 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jwk n GLY 394 N 1.21 -0.06 3.90 3.03 0.00 -0.48 -5.04 105.19 107.75 1jwk n GLY 394 Ca 0.17 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1jwk n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jwk s LEU 395 N -4.78 3.80 -1.39 0.99 1.43 -0.77 -5.01 118.68 112.96 1jwk s LEU 395 Ca 0.04 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 1jwk s LEU 395 Cb -0.02 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.77 1jwk s LEU 395 CO 0.46 -0.30 2.25 -0.62 0.23 0.00 0.00 176.35 178.38 1jwk n GLU 396 N -1.42 2.75 0.00 1.70 1.02 -1.26 -4.72 120.64 118.72 1jwk n GLU 396 Ca -0.03 -2.46 0.02 0.00 -0.02 0.00 0.00 57.16 54.67 1jwk n GLU 396 Cb 0.59 -3.20 0.13 0.00 -0.02 0.00 0.00 31.44 28.94 1jwk n GLU 396 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jwk n THR 397 N 5.07 0.24 0.57 2.62 -2.24 -1.26 -1.39 114.28 117.88 1jwk n THR 397 Ca 0.54 0.06 0.08 0.00 -2.27 0.00 0.00 64.05 62.46 1jwk n THR 397 Cb 0.38 -0.99 0.08 0.00 -2.10 0.00 0.00 70.33 67.70 1jwk n THR 397 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jwk n HIS 398 N -1.07 0.06 -3.75 4.78 -0.00 -1.26 -4.87 115.22 109.11 1jwk n HIS 398 Ca 0.03 -0.05 -0.29 0.00 -0.00 0.00 0.00 57.72 57.42 1jwk n HIS 398 Cb 0.02 -0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.85 1jwk n HIS 398 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1jwk s THR 399 N -1.28 0.81 0.22 0.61 2.01 -0.49 -5.03 115.64 112.49 1jwk s THR 399 Ca 0.20 -1.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.05 1jwk s THR 399 Cb 0.13 -1.44 0.16 0.00 0.01 0.00 0.00 72.50 71.37 1jwk s THR 399 CO 0.20 -0.44 1.79 -0.07 -0.69 0.00 0.00 174.62 175.41 1jwk h LEU 400 N 8.13 0.51 -1.40 4.42 3.38 -1.89 -2.24 115.31 126.23 1jwk h LEU 400 Ca -0.15 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1jwk h LEU 400 Cb 1.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1jwk h LEU 400 CO 0.42 0.31 0.03 0.00 0.09 0.00 0.00 178.44 179.29 1jwk n ALA 401 N -2.38 1.00 0.46 1.53 0.00 -1.26 -1.16 120.51 118.70 1jwk n ALA 401 Ca 0.10 0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.86 1jwk n ALA 401 Cb 0.23 -1.27 0.47 0.00 0.00 0.00 0.00 19.45 18.88 1jwk n ALA 401 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1jwk h SER 402 N 0.00 0.00 -3.53 0.00 4.64 -1.73 -3.47 113.55 109.47 1jwk h SER 402 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1jwk h SER 402 Cb 0.06 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.19 1jwk h SER 402 CO 0.00 0.00 -0.49 0.18 -0.87 0.00 0.00 176.83 175.65 1jwk n LEU 403 N -2.31 -2.36 0.05 5.97 4.77 -0.31 -4.90 117.00 117.91 1jwk n LEU 403 Ca 0.03 -0.20 0.01 0.00 -0.03 0.00 0.00 56.01 55.83 1jwk n LEU 403 Cb 0.30 -2.56 0.35 0.00 -2.33 0.00 0.00 43.42 39.19 1jwk n LEU 403 CO 0.24 0.12 0.94 4.11 -1.33 0.00 0.00 177.39 181.47 1jwk h TRP 404 N -0.94 0.41 -0.62 -1.77 5.08 -1.82 -1.93 115.95 114.36 1jwk h TRP 404 Ca -0.44 -0.04 -0.04 0.00 1.08 0.00 0.00 58.89 59.46 1jwk h TRP 404 Cb 1.31 -0.12 -0.03 0.00 -3.00 0.00 0.00 29.16 27.32 1jwk h TRP 404 CO 0.44 0.44 0.23 0.87 -1.28 0.00 0.00 178.44 179.14 1jwk h LYS 405 N 0.39 0.92 -0.38 0.12 1.57 -1.90 0.40 116.57 117.68 1jwk h LYS 405 Ca 0.09 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 1jwk h LYS 405 Cb 0.30 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1jwk h LYS 405 CO 0.01 0.76 -0.29 -0.44 -0.57 0.00 0.00 179.45 178.93 1jwk h ASP 406 N 0.90 0.84 -0.07 0.86 5.19 -1.75 -1.65 116.42 120.74 1jwk h ASP 406 Ca 0.21 -0.34 -0.18 0.00 -0.62 0.00 0.00 57.03 56.11 1jwk h ASP 406 Cb 0.20 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 1jwk h ASP 406 CO -0.02 1.07 -0.59 0.03 -3.12 0.00 0.00 179.24 176.62 1jwk h ARG 407 N 0.69 0.67 0.17 3.56 3.08 -1.09 -3.15 114.38 118.31 1jwk h ARG 407 Ca 0.08 -0.44 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 1jwk h ARG 407 Cb 0.83 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1jwk h ARG 407 CO 0.07 1.06 -0.08 0.00 -1.07 0.00 0.00 179.97 179.95 1jwk h ALA 408 N 0.84 -0.23 -0.14 0.04 0.00 -0.78 -3.00 119.26 115.98 1jwk h ALA 408 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1jwk h ALA 408 Cb 1.16 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1jwk h ALA 408 CO 0.12 -0.41 0.12 -0.24 0.00 0.00 0.00 179.25 178.84 1jwk h VAL 409 N -0.67 0.68 -0.17 0.00 3.04 -1.42 -1.73 116.25 115.99 1jwk h VAL 409 Ca -0.02 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.48 1jwk h VAL 409 Cb 0.48 0.91 0.01 0.00 -2.01 0.00 0.00 31.29 30.68 1jwk h VAL 409 CO 0.04 0.00 -0.60 0.74 -1.01 0.00 0.00 177.57 176.74 1jwk h THR 410 N 0.00 1.31 -0.22 3.17 2.02 -1.50 -1.18 112.91 116.51 1jwk h THR 410 Ca 0.07 -1.83 -0.07 0.00 0.77 0.00 0.00 66.41 65.34 1jwk h THR 410 Cb 0.31 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1jwk h THR 410 CO -0.00 0.57 -0.19 -0.33 0.37 0.00 0.00 175.52 175.95 1jwk h GLU 411 N 0.42 0.37 -0.26 6.66 4.39 -1.20 0.14 114.58 125.11 1jwk h GLU 411 Ca -0.03 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 1jwk h GLU 411 Cb 1.23 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1jwk h GLU 411 CO 0.13 0.55 -0.14 0.82 -1.16 0.00 0.00 179.01 179.21 1jwk h ILE 412 N 0.34 1.30 -0.91 3.13 2.04 -1.34 0.62 117.51 122.69 1jwk h ILE 412 Ca 0.06 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.70 1jwk h ILE 412 Cb 0.53 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 1jwk h ILE 412 CO 0.03 0.39 0.60 0.78 0.00 0.00 0.00 178.15 179.95 1jwk h ASN 413 N 0.28 1.04 -0.66 1.72 2.35 -0.76 -1.28 115.58 118.28 1jwk h ASN 413 Ca 0.06 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1jwk h ASN 413 Cb 0.65 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1jwk h ASN 413 CO 0.04 0.76 0.13 0.58 -1.65 0.00 0.00 177.43 177.29 1jwk h VAL 414 N 1.23 1.26 0.04 2.81 2.07 -0.73 -2.35 116.25 120.58 1jwk h VAL 414 Ca 0.33 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1jwk h VAL 414 Cb -0.14 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1jwk h VAL 414 CO -0.07 0.38 -0.04 0.00 0.02 0.00 0.00 177.57 177.86 1jwk h ALA 415 N 1.11 -0.07 0.10 1.67 0.00 0.04 0.37 119.26 122.49 1jwk h ALA 415 Ca 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1jwk h ALA 415 Cb 0.40 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1jwk h ALA 415 CO 0.01 -0.55 -0.25 0.28 0.00 0.00 0.00 179.25 178.74 1jwk h VAL 416 N -0.09 0.45 -0.29 0.00 2.07 -1.13 0.20 116.25 117.46 1jwk h VAL 416 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1jwk h VAL 416 Cb 0.09 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1jwk h VAL 416 CO -0.02 0.00 0.14 -0.07 0.02 0.00 0.00 177.57 177.64 1jwk h LEU 417 N -0.44 0.20 -0.72 2.57 3.38 -1.31 -0.62 115.31 118.37 1jwk h LEU 417 Ca 0.03 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1jwk h LEU 417 Cb 0.47 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1jwk h LEU 417 CO -0.15 0.15 0.46 -0.74 0.09 0.00 0.00 178.44 178.26 1jwk h HIS 418 N 0.29 0.87 -0.10 1.13 2.76 -0.56 -2.03 115.15 117.51 1jwk h HIS 418 Ca 0.12 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1jwk h HIS 418 Cb 0.05 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 28.71 1jwk h HIS 418 CO -0.10 0.52 0.01 0.77 -1.30 0.00 0.00 177.93 177.84 1jwk h SER 419 N 0.93 0.16 -0.52 3.26 0.02 -0.19 -1.29 113.55 115.91 1jwk h SER 419 Ca 0.28 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1jwk h SER 419 Cb -0.05 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1jwk h SER 419 CO -0.08 0.39 0.34 -0.26 -1.14 0.00 0.00 176.83 176.08 1jwk h PHE 420 N -0.08 0.66 -0.09 3.45 -1.00 -0.97 -1.88 116.94 117.03 1jwk h PHE 420 Ca 0.03 0.01 -0.12 0.00 2.81 0.00 0.00 57.97 60.70 1jwk h PHE 420 Cb 0.30 -0.22 0.01 0.00 3.61 0.00 0.00 35.95 39.64 1jwk h PHE 420 CO 0.02 0.42 -0.42 1.96 -1.61 0.00 0.00 178.31 178.68 1jwk h GLN 421 N 0.71 0.44 -0.80 1.51 4.20 -1.25 0.33 115.11 120.25 1jwk h GLN 421 Ca 0.19 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.56 1jwk h GLN 421 Cb -0.08 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1jwk h GLN 421 CO -0.04 0.99 0.53 -0.22 -0.67 0.00 0.00 178.83 179.42 1jwk h LYS 422 N 0.00 1.03 -0.61 1.46 3.64 -1.00 -1.82 116.57 119.27 1jwk h LYS 422 Ca -0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1jwk h LYS 422 Cb 1.06 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1jwk h LYS 422 CO 0.09 0.68 0.00 1.04 -2.27 0.00 0.00 179.45 178.99 1jwk n GLN 423 N -4.42 2.89 -3.83 1.90 6.02 -0.73 -4.94 117.38 114.27 1jwk n GLN 423 Ca 0.09 -1.93 -0.27 0.00 -0.01 0.00 0.00 57.00 54.89 1jwk n GLN 423 Cb 0.05 -1.71 0.03 0.00 1.02 0.00 0.00 30.24 29.63 1jwk n GLN 423 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1jwk n ASN 424 N 0.67 -3.42 -4.27 1.08 3.02 -0.69 -4.96 115.26 106.68 1jwk n ASN 424 Ca 0.17 -0.79 -0.34 0.00 -0.03 0.00 0.00 54.58 53.59 1jwk n ASN 424 Cb 0.65 -3.97 -0.15 0.00 -0.61 0.00 0.00 39.78 35.71 1jwk n ASN 424 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jwk s VAL 425 N -3.45 2.96 0.21 2.41 1.01 0.11 -4.24 120.40 119.42 1jwk s VAL 425 Ca 0.40 -0.64 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 1jwk s VAL 425 Cb -0.20 -2.31 -0.15 0.00 0.00 0.00 0.00 36.38 33.72 1jwk s VAL 425 CO 0.82 0.47 1.15 0.41 0.00 0.00 0.00 175.10 177.95 1jwk n THR 426 N 4.50 1.20 -3.57 3.92 -1.04 -0.03 -4.29 114.28 114.98 1jwk n THR 426 Ca -0.19 -0.30 -0.10 0.00 -2.04 0.00 0.00 64.05 61.42 1jwk n THR 426 Cb 0.51 -0.96 -0.05 0.00 -1.82 0.00 0.00 70.33 68.01 1jwk n THR 426 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1jwk s ILE 427 N -0.41 0.00 -0.03 12.58 2.07 -1.26 -4.48 121.20 129.67 1jwk s ILE 427 Ca 0.69 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.96 1jwk s ILE 427 Cb -0.79 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 40.81 1jwk s ILE 427 CO 0.54 0.00 -0.12 -0.32 -1.91 0.00 0.00 174.94 173.13 1jwk s MET 428 N -1.43 1.26 0.77 3.50 -2.45 -0.86 -4.99 119.30 115.09 1jwk s MET 428 Ca -0.01 -0.40 -0.11 0.00 -1.25 0.00 0.00 55.69 53.92 1jwk s MET 428 Cb -0.01 -1.13 0.05 0.00 1.25 0.00 0.00 34.83 34.99 1jwk s MET 428 CO 0.00 0.15 1.08 0.16 1.05 0.00 0.00 175.02 177.46 1jwk s ASP 429 N 0.18 4.68 0.35 1.11 1.47 -1.26 -1.13 116.67 122.07 1jwk s ASP 429 Ca -0.04 1.62 0.09 0.00 1.18 0.00 0.00 52.55 55.40 1jwk s ASP 429 Cb -0.10 -2.39 0.64 0.00 -0.34 0.00 0.00 42.92 40.73 1jwk s ASP 429 CO 0.01 -1.89 1.81 1.12 0.68 0.00 0.00 175.17 176.89 1jwk h HIS 430 N -1.03 0.19 0.08 2.11 -0.00 -1.97 -2.10 115.15 112.42 1jwk h HIS 430 Ca -0.45 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 59.88 1jwk h HIS 430 Cb 1.24 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 1jwk h HIS 430 CO 0.55 0.47 -0.04 0.45 -0.00 0.00 0.00 177.93 179.36 1jwk h HIS 431 N 0.15 -0.10 -0.78 6.12 3.86 -1.98 -0.06 115.15 122.35 1jwk h HIS 431 Ca 0.02 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1jwk h HIS 431 Cb 0.63 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.09 1jwk h HIS 431 CO 0.01 0.19 0.44 1.15 0.86 0.00 0.00 177.93 180.58 1jwk h THR 432 N -0.39 1.23 -0.42 2.45 2.02 -1.95 -1.43 112.91 114.42 1jwk h THR 432 Ca -0.01 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 1jwk h THR 432 Cb 0.34 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1jwk h THR 432 CO 0.02 0.25 0.12 0.00 0.37 0.00 0.00 175.52 176.28 1jwk h ALA 433 N 1.39 0.55 -0.16 6.16 0.00 -1.24 -0.44 119.26 125.53 1jwk h ALA 433 Ca 0.28 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jwk h ALA 433 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1jwk h ALA 433 CO -0.05 0.22 0.09 0.77 0.00 0.00 0.00 179.25 180.28 1jwk h SER 434 N 0.54 0.14 -0.88 0.00 0.02 -0.42 0.69 113.55 113.64 1jwk h SER 434 Ca 0.13 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1jwk h SER 434 Cb 0.29 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1jwk h SER 434 CO -0.00 0.11 0.47 -0.33 -1.14 0.00 0.00 176.83 175.94 1jwk h GLU 435 N 0.19 1.23 -0.61 3.45 5.08 -1.13 -0.99 114.58 121.80 1jwk h GLU 435 Ca 0.06 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1jwk h GLU 435 Cb -0.00 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 1jwk h GLU 435 CO -0.03 0.90 0.40 1.03 -1.00 0.00 0.00 179.01 180.31 1jwk h SER 436 N 1.23 0.69 -0.19 1.42 0.87 -0.61 -1.81 113.55 115.14 1jwk h SER 436 Ca 0.31 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.73 1jwk h SER 436 Cb 0.04 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1jwk h SER 436 CO -0.05 0.49 -0.29 0.15 -0.53 0.00 0.00 176.83 176.61 1jwk h PHE 437 N 0.81 0.77 -0.64 2.24 3.57 -0.17 -1.84 116.94 121.69 1jwk h PHE 437 Ca 0.23 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1jwk h PHE 437 Cb -0.08 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 1jwk h PHE 437 CO -0.03 0.88 0.36 0.52 -2.23 0.00 0.00 178.31 177.81 1jwk h MET 438 N 0.58 0.88 -0.78 1.11 2.86 -0.75 0.86 114.93 119.69 1jwk h MET 438 Ca 0.07 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1jwk h MET 438 Cb 0.78 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.23 1jwk h MET 438 CO 0.06 0.66 0.46 -0.22 1.06 0.00 0.00 176.91 178.94 1jwk h LYS 439 N 0.87 1.06 -0.03 1.72 1.63 -1.17 -1.63 116.57 119.02 1jwk h LYS 439 Ca 0.22 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1jwk h LYS 439 Cb 0.03 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.44 1jwk h LYS 439 CO -0.04 0.75 0.02 1.25 -3.45 0.00 0.00 179.45 177.98 1jwk h HIS 440 N 1.07 0.05 -0.80 1.91 2.76 -0.54 -1.50 115.15 118.11 1jwk h HIS 440 Ca 0.28 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.56 1jwk h HIS 440 Cb -0.03 -0.01 -0.08 0.00 1.55 0.00 0.00 27.41 28.83 1jwk h HIS 440 CO -0.01 0.14 0.42 1.98 -1.30 0.00 0.00 177.93 179.16 1jwk h MET 441 N -0.06 0.64 -0.46 5.26 1.85 -0.57 0.75 114.93 122.34 1jwk h MET 441 Ca 0.01 -0.04 0.01 0.00 -0.61 0.00 0.00 59.70 59.07 1jwk h MET 441 Cb 0.11 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 31.97 1jwk h MET 441 CO -0.00 0.42 0.30 0.37 -0.40 0.00 0.00 176.91 177.61 1jwk h GLN 442 N 0.66 0.60 -0.54 0.39 4.15 -0.98 -1.70 115.11 117.70 1jwk h GLN 442 Ca 0.41 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.73 1jwk h GLN 442 Cb 0.48 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1jwk h GLN 442 CO -0.30 0.40 0.07 -0.91 -1.93 0.00 0.00 178.83 176.16 1jwk h ASN 443 N 0.62 0.82 -0.41 -0.69 2.35 -0.11 -2.30 115.58 115.85 1jwk h ASN 443 Ca 0.17 -0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 1jwk h ASN 443 Cb -0.07 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1jwk h ASN 443 CO -0.04 0.84 -0.15 -0.33 -1.65 0.00 0.00 177.43 176.10 1jwk h GLU 444 N 0.82 0.83 -0.50 0.81 4.39 -0.48 0.50 114.58 120.94 1jwk h GLU 444 Ca 0.17 -0.34 -0.13 0.00 0.34 0.00 0.00 59.36 59.40 1jwk h GLU 444 Cb 0.39 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1jwk h GLU 444 CO 0.01 0.97 -0.19 1.88 -1.16 0.00 0.00 179.01 180.52 1jwk h TYR 445 N 0.65 1.16 -0.65 4.33 -1.99 -1.27 0.36 116.97 119.56 1jwk h TYR 445 Ca 0.10 -0.27 -0.02 0.00 2.00 0.00 0.00 58.73 60.54 1jwk h TYR 445 Cb 0.70 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 39.12 1jwk h TYR 445 CO 0.05 1.10 0.34 -0.09 -0.00 0.00 0.00 178.16 179.57 1jwk h ARG 446 N 0.88 0.92 0.21 4.88 1.12 -1.32 -0.46 114.38 120.60 1jwk h ARG 446 Ca 0.12 -0.12 -0.34 0.00 -1.11 0.00 0.00 59.98 58.53 1jwk h ARG 446 Cb 0.77 -0.17 0.02 0.00 -0.01 0.00 0.00 29.97 30.58 1jwk h ARG 446 CO 0.06 0.71 -1.63 0.00 -3.11 0.00 0.00 179.97 176.00 1jwk h ALA 447 N 1.16 0.05 0.00 2.80 0.00 -0.72 -3.42 119.26 119.12 1jwk h ALA 447 Ca 0.23 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1jwk h ALA 447 Cb 0.07 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jwk h ALA 447 CO -0.03 0.91 -0.18 2.89 0.00 0.00 0.00 179.25 182.84 1jwk n ARG 448 N -3.62 0.20 -2.23 0.00 1.85 0.13 -5.04 116.66 107.94 1jwk n ARG 448 Ca -0.21 -0.80 -0.08 0.00 -1.00 0.00 0.00 57.85 55.76 1jwk n ARG 448 Cb 1.08 -0.56 -0.00 0.00 -1.05 0.00 0.00 32.46 31.93 1jwk n ARG 448 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jwk n GLY 449 N -0.08 0.08 0.00 2.89 0.00 -0.18 -4.43 105.19 103.47 1jwk n GLY 449 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1jwk n GLY 449 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jwk n GLY 450 N -1.01 1.65 3.15 -0.02 0.00 -1.23 -0.91 105.19 106.81 1jwk n GLY 450 Ca -0.08 -1.00 0.04 0.00 0.00 0.00 0.00 46.02 44.97 1jwk n GLY 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jwk n PRO 452 N 5.41 2.50 -3.79 0.00 -0.04 -1.26 -4.61 135.00 133.20 1jwk n PRO 452 Ca 0.04 0.90 -0.13 0.00 -0.04 0.00 0.00 63.50 64.28 1jwk n PRO 452 Cb 0.54 -2.74 -0.12 0.00 -0.04 0.00 0.00 33.50 31.13 1jwk n PRO 452 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jwk s ALA 453 N 1.88 -0.49 -0.45 0.55 0.00 0.79 -4.18 121.76 119.85 1jwk s ALA 453 Ca 0.80 0.61 -0.07 0.00 0.00 0.00 0.00 51.96 53.31 1jwk s ALA 453 Cb -0.58 -0.36 0.11 0.00 0.00 0.00 0.00 23.12 22.29 1jwk s ALA 453 CO 0.38 -0.11 0.29 0.34 0.00 0.00 0.00 175.76 176.66 1jwk s ASP 454 N 0.24 5.53 0.18 0.00 -1.08 0.42 -3.31 116.67 118.65 1jwk s ASP 454 Ca -0.01 -1.94 -0.16 0.00 -0.52 0.00 0.00 52.55 49.92 1jwk s ASP 454 Cb -0.03 -1.94 0.13 0.00 -1.46 0.00 0.00 42.92 39.63 1jwk s ASP 454 CO -0.01 -0.63 1.67 -0.25 0.52 0.00 0.00 175.17 176.47 1jwk h TRP 455 N 8.30 -0.14 -0.75 -5.34 7.01 -1.93 0.18 115.95 123.28 1jwk h TRP 455 Ca -0.18 0.04 0.13 0.00 2.11 0.00 0.00 58.89 60.99 1jwk h TRP 455 Cb 1.06 0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 28.21 1jwk h TRP 455 CO 0.61 -0.15 0.50 0.82 -2.79 0.00 0.00 178.44 177.42 1jwk h ILE 456 N 0.05 0.83 0.02 2.65 2.04 -1.93 -1.32 117.51 119.85 1jwk h ILE 456 Ca 0.22 -0.16 -0.29 0.00 1.00 0.00 0.00 64.86 65.63 1jwk h ILE 456 Cb 0.33 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1jwk h ILE 456 CO -0.42 0.09 -1.62 0.00 0.00 0.00 0.00 178.15 176.20 1jwk h ALA 457 N 1.64 0.65 0.01 1.87 0.00 -1.60 -3.38 119.26 118.46 1jwk h ALA 457 Ca 0.36 -1.36 -0.20 0.00 0.00 0.00 0.00 54.91 53.71 1jwk h ALA 457 Cb 0.74 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1jwk h ALA 457 CO -0.12 1.49 -0.91 -0.07 0.00 0.00 0.00 179.25 179.64 1jwk h LEU 458 N 0.01 0.17 -9.21 0.00 3.38 0.05 -3.44 115.31 106.28 1jwk h LEU 458 Ca -0.25 -0.15 -0.56 0.00 0.09 0.00 0.00 57.88 57.00 1jwk h LEU 458 Cb 1.98 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.65 1jwk h LEU 458 CO 0.09 0.99 0.89 -0.69 0.09 0.00 0.00 178.44 179.81 1jwk s VAL 459 N -3.08 4.14 0.71 1.22 1.01 -0.57 -4.97 120.40 118.86 1jwk s VAL 459 Ca -0.02 1.41 -0.16 0.00 0.00 0.00 0.00 61.98 63.20 1jwk s VAL 459 Cb 0.10 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1jwk s VAL 459 CO 0.82 -0.09 0.51 -2.65 0.00 0.00 0.00 175.10 173.69 1jwk n PRO 460 N 6.34 0.32 0.00 2.72 -0.02 -1.26 -4.89 135.00 138.21 1jwk n PRO 460 Ca 0.14 0.14 0.07 0.00 -2.02 0.00 0.00 63.50 61.83 1jwk n PRO 460 Cb 0.45 -1.80 0.33 0.00 -0.02 0.00 0.00 33.50 32.46 1jwk n PRO 460 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1jwk n PRO 461 N -0.61 0.04 -4.12 0.52 -0.04 -1.26 -4.50 135.00 125.03 1jwk n PRO 461 Ca 0.10 0.22 -0.09 0.00 -0.04 0.00 0.00 63.50 63.70 1jwk n PRO 461 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 1jwk n PRO 461 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jwk s VAL 462 N -2.91 0.42 -1.41 0.52 -7.23 -1.26 -4.92 120.40 103.61 1jwk s VAL 462 Ca 0.09 -1.82 -0.08 0.00 -1.81 0.00 0.00 61.98 58.36 1jwk s VAL 462 Cb 0.10 -1.53 0.01 0.00 0.56 0.00 0.00 36.38 35.52 1jwk s VAL 462 CO 0.26 -0.92 0.33 -1.54 -0.31 0.00 0.00 175.10 172.92 1jwk n SER 463 N 0.13 -0.88 0.07 4.85 3.41 -1.26 -4.91 113.62 115.03 1jwk n SER 463 Ca -0.14 -1.17 -0.07 0.00 -0.26 0.00 0.00 58.87 57.24 1jwk n SER 463 Cb 0.61 -2.26 -0.04 0.00 -0.26 0.00 0.00 64.21 62.26 1jwk n SER 463 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1jwk h GLY 464 N -1.96 -1.10 1.26 5.00 0.00 -1.91 -2.85 103.07 101.51 1jwk h GLY 464 Ca -0.66 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1jwk h GLY 464 CO 0.63 -0.36 0.00 -1.14 0.00 0.00 0.00 176.54 175.67 1jwk n SER 465 N -3.59 0.00 0.17 0.19 3.41 -1.26 -2.03 113.62 110.51 1jwk n SER 465 Ca -0.04 -0.31 0.12 0.00 -0.26 0.00 0.00 58.87 58.38 1jwk n SER 465 Cb 0.17 -0.13 0.18 0.00 -0.26 0.00 0.00 64.21 64.17 1jwk n SER 465 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1jwk h ILE 466 N 0.00 0.00 -3.12 -1.33 1.08 -1.88 -3.45 117.51 108.81 1jwk h ILE 466 Ca 0.00 -0.89 -0.59 0.00 -0.39 0.00 0.00 64.86 62.99 1jwk h ILE 466 Cb 0.08 1.78 -0.04 0.00 -3.07 0.00 0.00 36.82 35.56 1jwk h ILE 466 CO 0.00 0.00 -0.29 0.42 -0.69 0.00 0.00 178.15 177.59 1jwk s THR 467 N -3.22 5.15 0.42 -0.27 -4.23 -0.86 -5.01 115.64 107.61 1jwk s THR 467 Ca 0.06 0.24 0.13 0.00 -1.18 0.00 0.00 61.69 60.94 1jwk s THR 467 Cb 0.07 -3.62 0.16 0.00 1.34 0.00 0.00 72.50 70.45 1jwk s THR 467 CO 0.68 0.18 1.94 1.55 -0.54 0.00 0.00 174.62 178.44 1jwk h PRO 468 N 3.34 0.05 -0.68 3.99 0.13 -1.86 -3.12 132.00 133.84 1jwk h PRO 468 Ca -0.48 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.74 1jwk h PRO 468 Cb 1.18 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1jwk h PRO 468 CO 0.69 0.26 0.45 0.28 -0.23 0.00 0.00 178.00 179.45 1jwk h VAL 469 N 0.05 0.91 -0.95 1.56 2.07 -1.89 -2.08 116.25 115.92 1jwk h VAL 469 Ca 0.01 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1jwk h VAL 469 Cb 0.40 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1jwk h VAL 469 CO 0.03 0.10 0.62 0.15 0.02 0.00 0.00 177.57 178.48 1jwk h PHE 470 N 0.53 1.15 -0.03 1.57 3.04 -1.74 -2.03 116.94 119.42 1jwk h PHE 470 Ca 0.32 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.29 1jwk h PHE 470 Cb 0.53 -0.38 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1jwk h PHE 470 CO -0.00 0.65 0.00 0.72 -2.02 0.00 0.00 178.31 177.66 1jwk n HIS 471 N -4.45 0.02 -3.33 0.41 -0.00 -0.79 -4.84 115.22 102.24 1jwk n HIS 471 Ca 0.13 -0.01 -0.38 0.00 -0.00 0.00 0.00 57.72 57.45 1jwk n HIS 471 Cb 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.04 1jwk n HIS 471 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1jwk s GLN 472 N -1.98 4.20 0.18 -0.41 2.00 -0.77 -1.44 119.66 121.44 1jwk s GLN 472 Ca 0.40 0.30 -0.30 0.00 -2.00 0.00 0.00 55.36 53.76 1jwk s GLN 472 Cb 0.20 -3.53 -0.08 0.00 0.80 0.00 0.00 33.01 30.41 1jwk s GLN 472 CO 0.33 -0.05 1.02 -1.21 -0.50 0.00 0.00 175.29 174.88 1jwk s GLU 473 N 1.32 4.70 0.15 1.67 2.02 -0.75 -5.01 118.70 122.80 1jwk s GLU 473 Ca 0.22 1.59 0.06 0.00 0.02 0.00 0.00 54.97 56.85 1jwk s GLU 473 Cb -0.15 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 1jwk s GLU 473 CO 0.09 0.24 -0.12 -1.64 0.02 0.00 0.00 175.26 173.84 1jwk s MET 474 N -0.55 1.09 -0.12 1.61 -1.94 -1.26 -4.70 119.30 113.43 1jwk s MET 474 Ca 0.46 -1.39 0.03 0.00 -1.71 0.00 0.00 55.69 53.08 1jwk s MET 474 Cb -0.27 -0.82 0.00 0.00 2.01 0.00 0.00 34.83 35.75 1jwk s MET 474 CO 0.33 0.13 -0.22 -1.17 -0.01 0.00 0.00 175.02 174.09 1jwk s LEU 475 N -2.90 2.16 -0.23 -0.03 2.96 -1.26 -4.96 118.68 114.42 1jwk s LEU 475 Ca 0.14 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 53.44 1jwk s LEU 475 Cb -0.01 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 1jwk s LEU 475 CO 0.03 0.12 0.02 0.21 -1.32 0.00 0.00 176.35 175.40 1jwk s ASN 476 N 0.58 4.80 0.05 3.68 2.47 -1.21 -0.15 114.94 125.15 1jwk s ASN 476 Ca -0.13 -0.26 -0.20 0.00 0.42 0.00 0.00 52.86 52.69 1jwk s ASN 476 Cb -0.17 -1.84 0.04 0.00 -1.45 0.00 0.00 41.25 37.84 1jwk s ASN 476 CO 0.04 -0.00 0.47 -0.72 -3.72 0.00 0.00 177.10 173.16 1jwk s TYR 477 N 1.40 -0.34 -0.32 0.43 1.13 -1.26 -4.95 117.35 113.44 1jwk s TYR 477 Ca 0.05 0.33 -0.16 0.00 -1.41 0.00 0.00 57.07 55.88 1jwk s TYR 477 Cb -0.15 0.28 -0.02 0.00 -1.10 0.00 0.00 41.96 40.98 1jwk s TYR 477 CO 0.01 -0.62 0.40 0.08 -2.51 0.00 0.00 175.55 172.91 1jwk s VAL 478 N -2.54 5.14 0.00 -3.49 1.01 -1.26 -4.82 120.40 114.44 1jwk s VAL 478 Ca -0.05 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1jwk s VAL 478 Cb -0.01 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1jwk s VAL 478 CO -0.03 -0.04 0.00 0.18 0.00 0.00 0.00 175.10 175.21 1jwk n LEU 479 N 5.44 0.00 -3.70 3.92 4.77 -1.26 -1.76 117.00 124.41 1jwk n LEU 479 Ca -0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.79 1jwk n LEU 479 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 1jwk n LEU 479 CO 0.40 -0.18 0.11 -0.55 -1.33 0.00 0.00 177.39 175.84 1jwk s SER 480 N -0.87 -0.54 1.02 -1.43 0.15 -1.26 -4.39 113.70 106.38 1jwk s SER 480 Ca 0.00 0.96 -0.12 0.00 0.70 0.00 0.00 55.95 57.48 1jwk s SER 480 Cb 0.00 0.88 0.15 0.00 -1.71 0.00 0.00 66.02 65.34 1jwk s SER 480 CO 0.00 -0.19 0.79 -2.65 1.20 0.00 0.00 173.24 172.39 1jwk n PRO 481 N 3.80 -1.10 -3.52 5.44 -0.02 -1.26 -5.02 135.00 133.32 1jwk n PRO 481 Ca -0.20 -0.27 -0.16 0.00 -2.02 0.00 0.00 63.50 60.85 1jwk n PRO 481 Cb 0.56 -2.11 -0.05 0.00 -0.02 0.00 0.00 33.50 31.88 1jwk n PRO 481 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1jwk s PHE 482 N -2.47 -0.59 -0.40 6.00 5.36 -0.68 -4.32 117.98 120.88 1jwk s PHE 482 Ca 0.64 0.85 -0.11 0.00 -0.96 0.00 0.00 56.93 57.34 1jwk s PHE 482 Cb -0.22 0.42 0.05 0.00 -0.34 0.00 0.00 43.02 42.93 1jwk s PHE 482 CO 0.63 -0.66 0.25 0.71 -1.46 0.00 0.00 175.22 174.69 1jwk s TYR 483 N -1.88 3.27 0.40 10.12 2.02 -1.26 -0.79 117.35 129.23 1jwk s TYR 483 Ca -0.08 -1.10 0.03 0.00 -0.37 0.00 0.00 57.07 55.55 1jwk s TYR 483 Cb -0.00 -2.67 -0.01 0.00 -0.40 0.00 0.00 41.96 38.88 1jwk s TYR 483 CO 0.04 -0.72 0.58 0.71 -1.57 0.00 0.00 175.55 174.58 1jwk s TYR 484 N 1.53 3.16 0.54 2.71 1.51 0.83 -4.87 117.35 122.77 1jwk s TYR 484 Ca 0.03 0.01 -0.03 0.00 -1.01 0.00 0.00 57.07 56.06 1jwk s TYR 484 Cb -0.21 -2.17 0.01 0.00 -0.11 0.00 0.00 41.96 39.48 1jwk s TYR 484 CO 0.06 -0.21 0.81 0.71 -1.11 0.00 0.00 175.55 175.81 1jwk s TYR 485 N -2.38 3.22 0.13 2.71 2.02 -0.18 -0.75 117.35 122.12 1jwk s TYR 485 Ca 0.47 0.46 0.05 0.00 -0.37 0.00 0.00 57.07 57.68 1jwk s TYR 485 Cb -0.10 -2.59 -0.04 0.00 -0.40 0.00 0.00 41.96 38.84 1jwk s TYR 485 CO 0.35 -0.66 -0.12 -0.65 -1.57 0.00 0.00 175.55 172.90 1jwk s GLN 486 N -4.82 1.03 0.37 -0.62 -0.21 -1.26 -0.81 119.66 113.34 1jwk s GLN 486 Ca 0.52 -1.32 -0.27 0.00 0.02 0.00 0.00 55.36 54.31 1jwk s GLN 486 Cb -0.10 -0.76 -0.09 0.00 1.00 0.00 0.00 33.01 33.05 1jwk s GLN 486 CO 0.42 0.13 1.23 0.42 -2.12 0.00 0.00 175.29 175.36 1jwk s ILE 487 N -2.65 2.95 -0.14 1.08 -1.09 -1.26 -4.88 121.20 115.21 1jwk s ILE 487 Ca 0.12 0.87 -0.39 0.00 -2.23 0.00 0.00 60.65 59.01 1jwk s ILE 487 Cb -0.02 -3.52 -0.16 0.00 -1.58 0.00 0.00 42.46 37.18 1jwk s ILE 487 CO 0.02 0.14 1.56 -0.62 -1.23 0.00 0.00 174.94 174.81 1jwk n GLU 488 N 0.38 1.05 -0.18 2.79 -0.58 -1.26 -4.84 120.64 118.01 1jwk n GLU 488 Ca 0.02 0.38 0.09 0.00 -0.42 0.00 0.00 57.16 57.23 1jwk n GLU 488 Cb 0.44 -2.03 0.39 0.00 -0.57 0.00 0.00 31.44 29.67 1jwk n GLU 488 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1jwk h PRO 489 N 5.96 0.64 0.00 3.49 0.13 -1.92 -1.63 132.00 138.68 1jwk h PRO 489 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1jwk h PRO 489 Cb 1.33 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1jwk h PRO 489 CO 0.88 0.43 0.00 -2.67 -0.23 0.00 0.00 178.00 176.41 1jwk n TRP 490 N -4.49 0.08 0.05 1.56 2.14 -1.26 -1.48 117.44 114.03 1jwk n TRP 490 Ca 0.12 0.03 0.02 0.00 2.07 0.00 0.00 57.50 59.73 1jwk n TRP 490 Cb 0.31 -0.55 -0.07 0.00 -0.81 0.00 0.00 31.31 30.19 1jwk n TRP 490 CO 0.00 0.00 0.00 0.87 2.07 0.00 0.00 177.69 180.63 1jwk h LYS 491 N 0.00 0.00 -0.00 -2.67 1.57 -1.65 -3.39 116.57 110.43 1jwk h LYS 491 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jwk h LYS 491 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1jwk h LYS 491 CO 0.00 0.26 -0.00 0.25 -0.57 0.00 0.00 179.45 179.39 1jwk n THR 492 N -2.88 0.00 -2.56 -0.16 -2.24 -1.07 -5.05 114.28 100.32 1jwk n THR 492 Ca -0.08 -0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 60.80 1jwk n THR 492 Cb 0.79 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.99 1jwk n THR 492 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1jwk s HIS 493 N -0.12 3.70 -0.39 4.78 5.04 -0.55 -5.03 115.29 122.73 1jwk s HIS 493 Ca 0.01 1.75 -0.08 0.00 -1.54 0.00 0.00 55.06 55.20 1jwk s HIS 493 Cb 0.01 -3.19 0.06 0.00 0.04 0.00 0.00 32.58 29.49 1jwk s HIS 493 CO 0.01 -0.26 0.20 0.42 -2.34 0.00 0.00 174.74 172.77 1jwk s ILE 494 N -1.04 4.12 0.41 0.89 1.01 -1.26 -5.02 121.20 120.32 1jwk s ILE 494 Ca 0.44 -1.24 -0.26 0.00 0.00 0.00 0.00 60.65 59.59 1jwk s ILE 494 Cb -0.30 -3.43 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 1jwk s ILE 494 CO 0.38 -0.36 1.36 0.26 0.00 0.00 0.00 174.94 176.57 1jwk s TRP 495 N 1.43 2.71 -0.12 3.97 0.52 -1.26 -4.89 118.94 121.31 1jwk s TRP 495 Ca 0.02 1.34 -0.19 0.00 0.02 0.00 0.00 56.10 57.29 1jwk s TRP 495 Cb -0.21 -3.78 -0.17 0.00 -1.15 0.00 0.00 33.47 28.16 1jwk s TRP 495 CO 0.03 -2.40 0.55 1.96 0.02 0.00 0.00 176.95 177.10 1jwk h GLN 496 N 2.68 -0.02 0.00 4.98 1.08 -1.97 -3.51 115.11 118.35 1jwk h GLN 496 Ca -0.50 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1jwk h GLN 496 Cb 1.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1jwk h GLN 496 CO 0.63 0.60 0.00 -1.71 -0.95 0.00 0.00 178.83 177.40