#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 3.18 -0.21 1.08 -0.85 -1.26 -4.86 117.35 114.43 1jwk s TYR 78 Ca 0.00 -0.07 -0.05 0.00 -0.52 0.00 0.00 57.07 56.43 1jwk s TYR 78 Cb 0.00 -2.05 -0.02 0.00 0.38 0.00 0.00 41.96 40.27 1jwk s TYR 78 CO 0.00 -0.07 0.00 0.08 -1.52 0.00 0.00 175.55 174.04 1jwk s VAL 79 N -2.27 3.89 -0.03 -3.49 1.01 -0.36 -4.86 120.40 114.28 1jwk s VAL 79 Ca 0.45 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1jwk s VAL 79 Cb -0.10 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1jwk s VAL 79 CO 0.33 0.42 1.18 -0.60 0.00 0.00 0.00 175.10 176.42 1jwk s ARG 80 N 1.17 4.38 -0.05 2.72 3.52 -1.26 -0.82 118.95 128.61 1jwk s ARG 80 Ca 0.03 1.66 0.06 0.00 -0.13 0.00 0.00 55.73 57.36 1jwk s ARG 80 Cb -0.14 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.72 1jwk s ARG 80 CO 0.01 -0.38 -0.24 0.42 -0.81 0.00 0.00 175.30 174.30 1jwk s ILE 81 N 1.92 2.15 0.02 4.11 -1.09 0.10 -4.98 121.20 123.43 1jwk s ILE 81 Ca 0.56 -1.05 0.08 0.00 -2.23 0.00 0.00 60.65 58.02 1jwk s ILE 81 Cb -0.25 -1.77 -0.02 0.00 -1.58 0.00 0.00 42.46 38.83 1jwk s ILE 81 CO 0.23 0.57 -0.25 -0.75 -1.23 0.00 0.00 174.94 173.52 1jwk s LYS 82 N -0.35 1.84 -0.48 2.79 2.20 -1.26 -1.05 119.74 123.44 1jwk s LYS 82 Ca 0.02 -1.00 -0.10 0.00 -0.36 0.00 0.00 55.97 54.53 1jwk s LYS 82 Cb -0.12 -1.91 0.12 0.00 -1.51 0.00 0.00 37.83 34.41 1jwk s LYS 82 CO 0.02 0.51 0.36 1.21 -0.36 0.00 0.00 175.35 177.09 1jwk s ASN 83 N -0.96 5.77 0.00 1.43 3.84 -0.71 -1.72 114.94 122.59 1jwk s ASN 83 Ca 0.10 -1.88 0.05 0.00 0.21 0.00 0.00 52.86 51.35 1jwk s ASN 83 Cb -0.10 -2.04 0.22 0.00 -0.55 0.00 0.00 41.25 38.78 1jwk s ASN 83 CO 0.01 -0.71 1.10 0.79 -2.79 0.00 0.00 177.10 175.49 1jwk n TRP 84 N 4.96 0.00 -0.07 0.43 7.02 -0.34 0.14 117.44 129.57 1jwk n TRP 84 Ca -0.09 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.29 1jwk n TRP 84 Cb 0.41 -0.43 -0.07 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 0.81 0.00 0.51 6.99 0.00 -1.93 -3.40 103.07 106.06 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 -0.95 -1.14 0.00 0.00 0.00 176.54 174.45 1jwk n SER 86 N -4.61 0.66 0.00 0.19 3.41 -1.13 -4.96 113.62 107.18 1jwk n SER 86 Ca -0.13 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1jwk n SER 86 Cb 0.37 0.78 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 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 1.42 2.40 3.72 5.00 0.00 0.12 -5.01 105.19 112.84 1jwk n GLY 87 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 1.57 -4.99 1.61 2.13 -1.24 -4.72 120.64 112.99 1jwk n GLU 88 Ca 0.00 0.58 -0.30 0.00 0.66 0.00 0.00 57.16 58.10 1jwk n GLU 88 Cb 0.00 -2.48 -0.15 0.00 0.27 0.00 0.00 31.44 29.08 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 -1.31 2.06 0.07 6.31 -1.09 -1.26 -1.74 121.20 124.23 1jwk s ILE 89 Ca 0.71 -1.28 0.05 0.00 -2.23 0.00 0.00 60.65 57.90 1jwk s ILE 89 Cb -0.43 -1.75 -0.03 0.00 -1.58 0.00 0.00 42.46 38.67 1jwk s ILE 89 CO 0.50 0.41 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.73 1jwk s LEU 90 N -1.04 2.29 -0.26 2.97 1.43 -0.21 -4.99 118.68 118.87 1jwk s LEU 90 Ca 0.11 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1jwk s LEU 90 Cb -0.10 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.70 1jwk s LEU 90 CO 0.01 -0.12 -0.01 -1.00 0.23 0.00 0.00 176.35 175.46 1jwk s HIS 91 N -1.43 3.08 -0.27 0.29 3.76 -1.26 -0.72 115.29 118.74 1jwk s HIS 91 Ca -0.02 -1.31 -0.17 0.00 -0.15 0.00 0.00 55.06 53.40 1jwk s HIS 91 Cb -0.09 -2.13 -0.03 0.00 1.11 0.00 0.00 32.58 31.45 1jwk s HIS 91 CO 0.02 -0.66 0.49 0.34 -0.85 0.00 0.00 174.74 174.08 1jwk s ASP 92 N 1.40 6.40 -0.03 1.40 -1.08 -0.00 -4.66 116.67 120.10 1jwk s ASP 92 Ca 0.01 0.45 0.03 0.00 -0.52 0.00 0.00 52.55 52.52 1jwk s ASP 92 Cb -0.17 -2.27 -0.04 0.00 -1.46 0.00 0.00 42.92 38.98 1jwk s ASP 92 CO -0.02 -0.29 0.03 0.35 0.52 0.00 0.00 175.17 175.76 1jwk n THR 93 N 5.17 0.17 0.01 1.71 -2.24 -0.28 -1.23 114.28 117.59 1jwk n THR 93 Ca -0.05 -0.12 0.20 0.00 -2.27 0.00 0.00 64.05 61.82 1jwk n THR 93 Cb 0.50 -0.62 0.70 0.00 -2.10 0.00 0.00 70.33 68.81 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 0.00 -1.89 3.22 5.85 -1.20 -2.24 115.31 119.05 1jwk h LEU 94 Ca -0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1jwk h LEU 94 Cb 0.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1jwk h LEU 94 CO 0.00 0.00 0.14 1.12 -0.34 0.00 0.00 178.44 179.36 1jwk h HIS 95 N 0.00 0.00 0.00 1.25 2.07 -1.83 -0.49 115.15 116.15 1jwk h HIS 95 Ca 0.25 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.67 1jwk h HIS 95 Cb 1.02 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.98 1jwk h HIS 95 CO 0.00 0.00 -0.45 0.45 -3.07 0.00 0.00 177.93 174.86 1jwk h HIS 96 N 0.00 0.00 0.00 6.12 3.86 -1.77 -2.65 115.15 120.72 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 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1jwk h HIS 96 CO 0.00 0.45 0.00 1.63 0.86 0.00 0.00 177.93 180.87 1jwk n LYS 97 N -3.76 0.15 -1.93 2.45 4.76 -0.19 -4.83 118.16 114.81 1jwk n LYS 97 Ca -0.01 0.12 -0.33 0.00 -2.87 0.00 0.00 58.31 55.21 1jwk n LYS 97 Cb 0.51 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.23 1jwk n LYS 97 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jwk s ALA 98 N -2.79 2.58 -0.45 7.82 0.00 -1.00 -4.85 121.76 123.08 1jwk s ALA 98 Ca 0.15 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.73 1jwk s ALA 98 Cb 0.14 -3.30 0.23 0.00 0.00 0.00 0.00 23.12 20.18 1jwk s ALA 98 CO 0.35 -1.06 0.65 2.41 0.00 0.00 0.00 175.76 178.11 1jwk n THR 99 N -2.11 -0.44 -3.15 0.00 -1.04 -1.05 -5.04 114.28 101.45 1jwk n THR 99 Ca 0.10 -2.63 -0.45 0.00 -2.04 0.00 0.00 64.05 59.03 1jwk n THR 99 Cb 0.52 -0.30 -0.05 0.00 -1.82 0.00 0.00 70.33 68.68 1jwk n THR 99 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jwk n LEU 110 N 6.09 6.66 0.09 0.00 4.77 -1.26 -4.72 117.00 128.63 1jwk n LEU 110 Ca -0.10 -4.67 -0.02 0.00 -0.03 0.00 0.00 56.01 51.20 1jwk n LEU 110 Cb 0.42 -0.80 -0.05 0.00 -2.33 0.00 0.00 43.42 40.67 1jwk n LEU 110 CO 0.57 1.79 0.20 1.23 -1.33 0.00 0.00 177.39 179.85 1jwk h GLY 111 N 2.39 0.00 1.48 -0.72 0.00 -2.06 -3.32 103.07 100.83 1jwk h GLY 111 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1jwk h GLY 111 CO 1.27 0.00 -0.33 -1.26 0.00 0.00 0.00 176.54 176.22 1jwk n SER 112 N -3.21 0.53 -4.72 0.19 2.88 -1.26 -4.89 113.62 103.14 1jwk n SER 112 Ca -0.01 0.21 -0.42 0.00 -1.33 0.00 0.00 58.87 57.31 1jwk n SER 112 Cb 0.84 -0.16 -0.03 0.00 -0.75 0.00 0.00 64.21 64.11 1jwk n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1jwk s ILE 113 N -3.08 2.52 0.00 2.46 -1.09 -1.25 -4.97 121.20 115.79 1jwk s ILE 113 Ca 0.10 0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 1jwk s ILE 113 Cb 0.15 -3.22 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1jwk s ILE 113 CO 0.65 0.03 0.73 0.80 -1.23 0.00 0.00 174.94 175.91 1jwk n MET 114 N 4.09 0.00 -3.82 2.79 1.56 -1.26 -4.29 117.12 116.19 1jwk n MET 114 Ca 0.14 0.46 -0.28 0.00 -0.27 0.00 0.00 57.70 57.76 1jwk n MET 114 Cb 0.38 -1.23 -0.12 0.00 2.15 0.00 0.00 33.22 34.41 1jwk n MET 114 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1jwk n ASN 115 N -1.52 2.70 -4.70 6.12 3.02 -1.26 -5.11 115.26 114.51 1jwk n ASN 115 Ca 0.00 -3.14 -0.31 0.00 -0.03 0.00 0.00 54.58 51.10 1jwk n ASN 115 Cb 0.00 -0.73 0.14 0.00 -0.61 0.00 0.00 39.78 38.58 1jwk n ASN 115 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1jwk s PRO 116 N -1.38 1.38 0.41 3.52 0.04 -1.26 -4.91 135.00 132.80 1jwk s PRO 116 Ca 0.27 1.46 0.16 0.00 0.04 0.00 0.00 61.00 62.93 1jwk s PRO 116 Cb -0.02 -1.77 0.90 0.00 0.04 0.00 0.00 34.50 33.65 1jwk s PRO 116 CO -0.16 -2.35 1.89 0.87 0.04 0.00 0.00 177.00 177.29 1jwk h LYS 117 N -1.62 0.00 0.00 4.56 1.57 -1.99 -2.51 116.57 116.57 1jwk h LYS 117 Ca -0.43 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.33 1jwk h LYS 117 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1jwk h LYS 117 CO 0.44 0.29 -0.10 0.66 -0.57 0.00 0.00 179.45 180.18 1jwk h SER 118 N 0.00 0.00 -0.49 0.86 4.64 -2.01 -1.63 113.55 114.92 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 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1jwk h SER 118 CO 0.04 0.10 0.00 0.18 -0.87 0.00 0.00 176.83 176.27 1jwk n LEU 119 N -3.67 3.73 -4.31 5.97 4.77 -0.96 -4.94 117.00 117.59 1jwk n LEU 119 Ca -0.02 -2.26 -0.33 0.00 -0.03 0.00 0.00 56.01 53.37 1jwk n LEU 119 Cb 0.21 -0.41 -0.15 0.00 -2.33 0.00 0.00 43.42 40.74 1jwk n LEU 119 CO 0.29 0.79 -0.47 -0.89 -1.33 0.00 0.00 177.39 175.79 1jwk s THR 120 N -1.47 2.81 -0.43 -5.08 2.01 -0.62 -0.83 115.64 112.03 1jwk s THR 120 Ca 0.38 -0.73 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 1jwk s THR 120 Cb 0.23 -2.18 0.11 0.00 0.01 0.00 0.00 72.50 70.67 1jwk s THR 120 CO 0.20 0.52 0.26 -0.60 -0.69 0.00 0.00 174.62 174.32 1jwk s ARG 121 N 0.62 2.31 0.55 4.92 6.06 -0.42 -4.93 118.95 128.07 1jwk s ARG 121 Ca -0.08 -1.72 -0.09 0.00 -2.50 0.00 0.00 55.73 51.34 1jwk s ARG 121 Cb -0.16 -3.74 0.13 0.00 0.06 0.00 0.00 34.95 31.24 1jwk s ARG 121 CO 0.03 -1.09 0.58 0.41 -2.50 0.00 0.00 175.30 172.73 1jwk n GLY 122 N 4.78 -2.11 3.73 8.12 0.00 -1.26 -4.54 105.19 113.90 1jwk n GLY 122 Ca -0.06 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 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 -4.29 1.07 0.02 1.61 0.04 -1.26 -5.00 135.00 127.19 1jwk s PRO 123 Ca 0.35 0.58 -0.01 0.00 0.04 0.00 0.00 61.00 61.96 1jwk s PRO 123 Cb -0.02 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 1jwk s PRO 123 CO 0.26 -2.31 -0.00 1.03 0.04 0.00 0.00 177.00 176.02 1jwk s ARG 124 N -5.05 0.36 0.00 4.56 0.52 -1.26 -5.04 118.95 113.04 1jwk s ARG 124 Ca 0.64 -0.63 0.07 0.00 -0.52 0.00 0.00 55.73 55.29 1jwk s ARG 124 Cb -0.17 0.13 -0.02 0.00 0.52 0.00 0.00 34.95 35.41 1jwk s ARG 124 CO 0.56 -0.07 0.48 -0.40 0.02 0.00 0.00 175.30 175.90 1jwk n ASP 125 N 1.45 0.87 -3.89 0.23 5.68 -1.25 -4.07 116.55 115.57 1jwk n ASP 125 Ca -0.23 -0.94 -0.10 0.00 -0.50 0.00 0.00 54.79 53.03 1jwk n ASP 125 Cb 0.56 0.60 -0.09 0.00 -1.14 0.00 0.00 41.12 41.05 1jwk n ASP 125 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1jwk s LYS 126 N -1.27 0.64 0.94 0.11 -2.85 -0.80 -4.81 119.74 111.70 1jwk s LYS 126 Ca 0.05 -0.71 -0.10 0.00 -1.00 0.00 0.00 55.97 54.21 1jwk s LYS 126 Cb 0.06 0.26 0.16 0.00 -2.06 0.00 0.00 37.83 36.25 1jwk s LYS 126 CO 0.22 -0.17 1.14 -2.14 0.10 0.00 0.00 175.35 174.49 1jwk s PRO 127 N -2.62 0.80 0.18 1.78 0.02 -1.26 -4.68 135.00 129.22 1jwk s PRO 127 Ca -0.05 1.51 -0.31 0.00 0.02 0.00 0.00 61.00 62.17 1jwk s PRO 127 Cb -0.01 -1.71 -0.10 0.00 0.02 0.00 0.00 34.50 32.71 1jwk s PRO 127 CO -0.04 -2.77 1.50 0.99 -0.33 0.00 0.00 177.00 176.34 1jwk s THR 128 N -2.62 2.77 0.50 0.99 2.01 -1.26 -4.95 115.64 113.07 1jwk s THR 128 Ca 0.67 0.58 -0.22 0.00 0.31 0.00 0.00 61.69 63.02 1jwk s THR 128 Cb -0.23 -3.37 -0.07 0.00 0.01 0.00 0.00 72.50 68.83 1jwk s THR 128 CO 0.59 0.06 1.16 -2.65 -0.69 0.00 0.00 174.62 173.09 1jwk n PRO 129 N 3.55 1.49 0.22 4.92 -0.02 -1.26 -4.75 135.00 139.15 1jwk n PRO 129 Ca 0.12 0.55 -0.17 0.00 -2.02 0.00 0.00 63.50 61.97 1jwk n PRO 129 Cb 0.40 -2.31 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 1jwk n PRO 129 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1jwk h LEU 130 N 1.41 -1.47 0.00 2.45 7.12 -1.92 0.77 115.31 123.66 1jwk h LEU 130 Ca -0.48 0.13 0.00 0.00 0.13 0.00 0.00 57.88 57.66 1jwk h LEU 130 Cb 1.32 0.51 0.00 0.00 -0.53 0.00 0.00 40.66 41.96 1jwk h LEU 130 CO 0.56 -0.62 0.00 -1.84 -0.13 0.00 0.00 178.44 176.41 1jwk n GLU 131 N -5.49 0.08 -0.12 1.25 0.00 -1.26 -0.81 120.64 114.29 1jwk n GLU 131 Ca -0.11 0.19 -0.23 0.00 0.00 0.00 0.00 57.16 57.01 1jwk n GLU 131 Cb 0.44 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.29 1jwk n GLU 131 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1jwk n GLU 132 N -1.22 0.52 0.25 3.44 2.13 -0.92 -4.53 120.64 120.31 1jwk n GLU 132 Ca 0.02 0.20 -0.14 0.00 0.66 0.00 0.00 57.16 57.90 1jwk n GLU 132 Cb 0.03 -1.37 -0.08 0.00 0.27 0.00 0.00 31.44 30.29 1jwk n GLU 132 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1jwk h LEU 133 N -0.67 -0.56 -0.62 4.31 5.85 -0.14 -3.26 115.31 120.23 1jwk h LEU 133 Ca -0.59 -0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.19 1jwk h LEU 133 Cb 1.59 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 42.65 1jwk h LEU 133 CO -0.30 -0.21 -0.07 0.25 -0.34 0.00 0.00 178.44 177.76 1jwk h LEU 134 N -0.94 -0.42 -1.43 2.25 5.85 -1.22 -0.61 115.31 118.80 1jwk h LEU 134 Ca -0.07 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1jwk h LEU 134 Cb 0.60 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1jwk h LEU 134 CO 0.11 -0.16 -0.13 -0.65 -0.34 0.00 0.00 178.44 177.27 1jwk h PRO 135 N 0.06 0.21 -0.15 5.25 0.11 -1.79 -1.71 132.00 133.97 1jwk h PRO 135 Ca 0.31 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.17 1jwk h PRO 135 Cb 0.50 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1jwk h PRO 135 CO -0.58 0.35 -0.72 0.45 -0.21 0.00 0.00 178.00 177.29 1jwk h HIS 136 N 0.20 0.91 -0.32 0.65 3.86 -1.30 -2.63 115.15 116.51 1jwk h HIS 136 Ca 0.04 -0.39 -0.04 0.00 -1.16 0.00 0.00 60.37 58.83 1jwk h HIS 136 Cb 0.36 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1jwk h HIS 136 CO 0.00 1.19 0.06 0.00 0.86 0.00 0.00 177.93 180.05 1jwk h ALA 137 N 0.71 0.43 -0.71 2.45 0.00 -0.82 -1.77 119.26 119.55 1jwk h ALA 137 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1jwk h ALA 137 Cb 1.33 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1jwk h ALA 137 CO 0.14 0.11 0.40 0.82 0.00 0.00 0.00 179.25 180.73 1jwk h ILE 138 N 0.37 1.21 -0.56 0.00 2.04 -1.37 -0.96 117.51 118.24 1jwk h ILE 138 Ca 0.10 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.46 1jwk h ILE 138 Cb 0.32 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1jwk h ILE 138 CO 0.00 0.23 0.37 -0.08 0.00 0.00 0.00 178.15 178.67 1jwk h GLU 139 N 0.98 0.72 -0.41 2.37 4.22 -1.29 -1.15 114.58 120.03 1jwk h GLU 139 Ca 0.25 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.60 1jwk h GLU 139 Cb 0.01 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1jwk h GLU 139 CO -0.04 0.48 0.08 0.35 -2.18 0.00 0.00 179.01 177.70 1jwk h PHE 140 N 0.75 0.71 -0.78 0.92 3.57 -0.85 -1.06 116.94 120.20 1jwk h PHE 140 Ca 0.21 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1jwk h PHE 140 Cb -0.06 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 1jwk h PHE 140 CO -0.04 0.69 0.46 0.82 -2.23 0.00 0.00 178.31 178.01 1jwk h ILE 141 N 0.53 1.22 -0.31 1.41 1.08 -0.91 0.14 117.51 120.68 1jwk h ILE 141 Ca 0.13 -0.49 -0.09 0.00 -0.39 0.00 0.00 64.86 64.02 1jwk h ILE 141 Cb 0.35 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.21 1jwk h ILE 141 CO 0.01 0.23 -0.19 0.78 -0.69 0.00 0.00 178.15 178.29 1jwk h ASN 142 N 1.08 0.56 -0.14 1.72 2.35 -0.91 -1.25 115.58 118.99 1jwk h ASN 142 Ca 0.28 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1jwk h ASN 142 Cb -0.03 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 1jwk h ASN 142 CO -0.05 0.76 -0.06 1.56 -1.65 0.00 0.00 177.43 177.98 1jwk h GLN 143 N 0.51 0.29 0.45 0.81 4.20 -0.33 -0.93 115.11 120.11 1jwk h GLN 143 Ca 0.08 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1jwk h GLN 143 Cb 0.61 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1jwk h GLN 143 CO 0.04 0.61 -0.30 -0.92 -0.67 0.00 0.00 178.83 177.59 1jwk h TYR 144 N -0.05 -0.79 0.00 2.96 5.03 -0.53 -2.59 116.97 121.00 1jwk h TYR 144 Ca 0.03 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.30 1jwk h TYR 144 Cb 0.52 0.29 -0.00 0.00 1.55 0.00 0.00 36.73 39.08 1jwk h TYR 144 CO 0.06 -0.45 -0.16 1.88 -1.32 0.00 0.00 178.16 178.18 1jwk h TYR 145 N -0.72 0.00 0.00 -3.82 0.05 -1.31 -2.62 116.97 108.54 1jwk h TYR 145 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1jwk h TYR 145 Cb 0.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.34 1jwk h TYR 145 CO -0.11 0.16 0.00 0.41 -1.05 0.00 0.00 178.16 177.56 1jwk n GLY 146 N -0.09 -1.26 0.13 3.88 0.00 -0.35 -3.37 105.19 104.13 1jwk n GLY 146 Ca -0.00 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1jwk n GLY 146 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jwk h SER 147 N 0.00 0.00 -3.43 1.61 4.64 -1.09 -3.47 113.55 111.81 1jwk h SER 147 Ca 0.00 -0.02 -0.52 0.00 -0.47 0.00 0.00 61.79 60.77 1jwk h SER 147 Cb 0.33 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1jwk h SER 147 CO 0.00 0.01 0.67 -0.36 -0.87 0.00 0.00 176.83 176.28 1jwk s PHE 148 N -3.32 3.20 0.08 4.77 0.40 -1.22 -4.91 117.98 117.00 1jwk s PHE 148 Ca 0.02 1.20 0.27 0.00 -0.60 0.00 0.00 56.93 57.82 1jwk s PHE 148 Cb 0.09 -3.65 1.00 0.00 0.51 0.00 0.00 43.02 40.97 1jwk s PHE 148 CO 0.76 -2.02 1.85 -0.22 0.70 0.00 0.00 175.22 176.30 1jwk h LYS 149 N 5.11 0.00 -3.78 0.44 3.64 -1.92 -3.35 116.57 116.71 1jwk h LYS 149 Ca -0.45 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.26 1jwk h LYS 149 Cb 1.22 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.65 1jwk h LYS 149 CO 0.76 0.15 -0.57 -2.00 -2.27 0.00 0.00 179.45 175.53 1jwk s GLU 150 N -3.62 2.05 0.25 1.90 2.56 -1.26 -5.09 118.70 115.49 1jwk s GLU 150 Ca 0.01 -2.39 -0.29 0.00 0.00 0.00 0.00 54.97 52.30 1jwk s GLU 150 Cb 0.09 -3.44 -0.15 0.00 2.00 0.00 0.00 34.13 32.64 1jwk s GLU 150 CO 0.61 -1.09 0.94 0.00 -0.56 0.00 0.00 175.26 175.17 1jwk n ALA 151 N 3.56 -0.89 -3.13 6.30 0.00 -1.26 -4.94 120.51 120.16 1jwk n ALA 151 Ca 0.05 0.42 -0.27 0.00 0.00 0.00 0.00 53.44 53.64 1jwk n ALA 151 Cb 0.36 -1.94 -0.06 0.00 0.00 0.00 0.00 19.45 17.82 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 0.98 2.95 -0.30 0.00 4.76 -1.26 -4.96 118.16 120.33 1jwk n LYS 152 Ca 0.12 -4.78 0.03 0.00 -2.87 0.00 0.00 58.31 50.81 1jwk n LYS 152 Cb 0.29 -2.24 0.10 0.00 -1.84 0.00 0.00 35.03 31.34 1jwk n LYS 152 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1jwk h ILE 153 N 3.03 0.14 -0.44 -0.18 1.08 -1.96 -0.02 117.51 119.17 1jwk h ILE 153 Ca 0.16 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.61 1jwk h ILE 153 Cb 0.57 0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 1jwk h ILE 153 CO 0.82 0.00 0.23 1.05 -0.69 0.00 0.00 178.15 179.56 1jwk h GLU 154 N -0.01 0.62 -0.16 2.37 9.09 -2.00 -1.63 114.58 122.86 1jwk h GLU 154 Ca 0.39 -0.08 -0.12 0.00 0.05 0.00 0.00 59.36 59.60 1jwk h GLU 154 Cb 0.62 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 1jwk h GLU 154 CO -0.87 0.51 -0.42 0.93 0.05 0.00 0.00 179.01 179.20 1jwk h GLU 155 N 0.57 0.39 0.42 1.06 5.08 -1.80 -2.06 114.58 118.23 1jwk h GLU 155 Ca 0.15 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1jwk h GLU 155 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1jwk h GLU 155 CO -0.02 0.74 -0.22 1.25 -1.00 0.00 0.00 179.01 179.76 1jwk h HIS 156 N 0.32 -0.57 -0.56 4.33 2.76 -0.75 -0.67 115.15 120.01 1jwk h HIS 156 Ca 0.03 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 1jwk h HIS 156 Cb 0.88 0.19 -0.02 0.00 1.55 0.00 0.00 27.41 30.01 1jwk h HIS 156 CO 0.02 -0.35 0.21 -0.07 -1.30 0.00 0.00 177.93 176.44 1jwk h LEU 157 N -0.59 0.78 -0.82 0.26 3.38 -1.27 -0.60 115.31 116.45 1jwk h LEU 157 Ca -0.05 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1jwk h LEU 157 Cb 0.47 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1jwk h LEU 157 CO 0.08 0.75 0.52 0.00 0.09 0.00 0.00 178.44 179.87 1jwk h ALA 158 N 1.06 1.04 -0.39 1.53 0.00 -1.28 -0.14 119.26 121.08 1jwk h ALA 158 Ca 0.18 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1jwk h ALA 158 Cb 0.22 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1jwk h ALA 158 CO -0.01 0.48 -0.15 -0.09 0.00 0.00 0.00 179.25 179.47 1jwk h ARG 159 N 1.11 0.79 -0.60 0.00 9.65 -0.90 0.34 114.38 124.78 1jwk h ARG 159 Ca 0.30 -0.33 0.06 0.00 -1.10 0.00 0.00 59.98 58.91 1jwk h ARG 159 Cb -0.08 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.41 1jwk h ARG 159 CO -0.06 0.95 0.30 -0.07 2.80 0.00 0.00 179.97 183.89 1jwk h LEU 160 N 0.59 0.41 -0.24 3.80 3.38 -0.57 0.31 115.31 123.00 1jwk h LEU 160 Ca 0.09 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1jwk h LEU 160 Cb 0.70 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1jwk h LEU 160 CO 0.05 0.26 -0.21 -0.08 0.09 0.00 0.00 178.44 178.56 1jwk h GLU 161 N 0.55 0.56 -0.31 1.13 4.81 -0.86 -2.24 114.58 118.22 1jwk h GLU 161 Ca 0.28 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1jwk h GLU 161 Cb 0.22 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1jwk h GLU 161 CO -0.20 0.87 0.20 0.00 -0.73 0.00 0.00 179.01 179.14 1jwk h ALA 162 N 0.68 0.39 -0.23 2.92 0.00 -0.46 -1.05 119.26 121.50 1jwk h ALA 162 Ca 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1jwk h ALA 162 Cb 0.76 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1jwk h ALA 162 CO 0.05 -0.16 0.03 0.28 0.00 0.00 0.00 179.25 179.46 1jwk h VAL 163 N 0.40 1.23 -0.57 0.00 2.07 -1.01 -0.77 116.25 117.61 1jwk h VAL 163 Ca 0.11 -0.79 0.08 0.00 0.82 0.00 0.00 66.70 66.92 1jwk h VAL 163 Cb -0.04 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1jwk h VAL 163 CO -0.03 0.25 0.23 0.74 0.02 0.00 0.00 177.57 178.78 1jwk h THR 164 N 0.18 0.84 -0.37 2.57 2.02 -1.23 0.09 112.91 117.01 1jwk h THR 164 Ca 0.07 -0.15 -0.11 0.00 0.77 0.00 0.00 66.41 66.99 1jwk h THR 164 Cb 0.34 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1jwk h THR 164 CO 0.01 0.08 -0.21 0.50 0.37 0.00 0.00 175.52 176.26 1jwk h LYS 165 N 0.44 0.79 -0.80 6.66 3.64 -1.11 -2.46 116.57 123.74 1jwk h LYS 165 Ca 0.28 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1jwk h LYS 165 Cb 0.29 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 1jwk h LYS 165 CO -0.25 0.99 0.49 1.49 -2.27 0.00 0.00 179.45 179.90 1jwk h GLU 166 N 0.59 1.07 -0.37 1.90 4.81 -0.58 -1.18 114.58 120.82 1jwk h GLU 166 Ca 0.08 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1jwk h GLU 166 Cb 0.77 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1jwk h GLU 166 CO 0.06 0.74 0.06 0.82 -0.73 0.00 0.00 179.01 179.96 1jwk h ILE 167 N 1.09 1.24 -0.14 2.32 2.04 -0.91 0.13 117.51 123.28 1jwk h ILE 167 Ca 0.29 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 65.21 1jwk h ILE 167 Cb -0.06 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1jwk h ILE 167 CO -0.06 0.29 -0.31 -0.33 0.00 0.00 0.00 178.15 177.74 1jwk h GLU 168 N 0.45 0.27 0.10 2.37 5.08 -1.24 0.30 114.58 121.92 1jwk h GLU 168 Ca 0.11 -0.10 -0.33 0.00 -1.00 0.00 0.00 59.36 58.04 1jwk h GLU 168 Cb 0.36 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1jwk h GLU 168 CO 0.01 0.56 -1.76 1.79 -1.00 0.00 0.00 179.01 178.60 1jwk h THR 169 N 0.23 0.87 0.00 1.13 1.35 -1.10 -3.40 112.91 112.00 1jwk h THR 169 Ca 0.03 -2.58 0.00 0.00 -0.55 0.00 0.00 66.41 63.31 1jwk h THR 169 Cb 0.68 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1jwk h THR 169 CO 0.05 0.79 -1.64 0.35 -0.25 0.00 0.00 175.52 174.81 1jwk n THR 170 N -3.39 0.00 0.00 6.82 -2.24 0.44 -5.01 114.28 110.90 1jwk n THR 170 Ca -0.23 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1jwk n THR 170 Cb 1.05 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 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 1.64 2.61 0.00 3.38 0.00 0.11 -4.99 105.19 107.94 1jwk n GLY 171 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.74 2.61 5.66 -1.25 -4.88 114.28 110.68 1jwk n THR 172 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1jwk n THR 172 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 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 -4.69 -0.18 -0.06 1.09 1.13 -1.26 -3.36 117.35 110.02 1jwk s TYR 173 Ca 0.00 -0.18 0.03 0.00 -1.41 0.00 0.00 57.07 55.51 1jwk s TYR 173 Cb 0.00 0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 41.34 1jwk s TYR 173 CO 0.00 -1.02 -0.12 -0.65 -2.51 0.00 0.00 175.55 171.25 1jwk s GLN 174 N -3.88 2.63 0.37 -3.49 -1.52 -1.26 -5.06 119.66 107.44 1jwk s GLN 174 Ca 0.09 -0.65 -0.08 0.00 -1.95 0.00 0.00 55.36 52.77 1jwk s GLN 174 Cb -0.03 -2.45 -0.06 0.00 -0.22 0.00 0.00 33.01 30.26 1jwk s GLN 174 CO -0.00 0.61 0.68 -0.51 -0.25 0.00 0.00 175.29 175.82 1jwk s LEU 175 N -0.68 3.90 0.60 2.90 1.43 -1.26 -5.08 118.68 120.50 1jwk s LEU 175 Ca 0.10 0.94 -0.10 0.00 -1.03 0.00 0.00 54.13 54.05 1jwk s LEU 175 Cb -0.11 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.27 1jwk s LEU 175 CO 0.01 -0.33 0.99 0.42 0.23 0.00 0.00 176.35 177.66 1jwk s THR 176 N -2.29 4.59 0.23 5.49 -4.23 -1.26 -4.88 115.64 113.29 1jwk s THR 176 Ca 0.48 0.69 -0.07 0.00 -1.18 0.00 0.00 61.69 61.61 1jwk s THR 176 Cb -0.10 -3.82 0.20 0.00 1.34 0.00 0.00 72.50 70.12 1jwk s THR 176 CO 0.32 -1.02 1.85 0.25 -0.54 0.00 0.00 174.62 175.48 1jwk h LEU 177 N -0.25 0.81 -1.20 4.79 5.85 -1.99 -1.05 115.31 122.26 1jwk h LEU 177 Ca -0.45 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 1jwk h LEU 177 Cb 1.20 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1jwk h LEU 177 CO 0.62 0.53 -0.09 -0.78 -0.34 0.00 0.00 178.44 178.38 1jwk h ASP 178 N 0.95 0.42 -0.40 1.25 3.58 -1.99 -0.77 116.42 119.46 1jwk h ASP 178 Ca 0.35 -0.09 -0.14 0.00 0.42 0.00 0.00 57.03 57.57 1jwk h ASP 178 Cb 0.13 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1jwk h ASP 178 CO -0.16 0.55 -0.28 -0.33 -2.88 0.00 0.00 179.24 176.14 1jwk h GLU 179 N 0.42 0.90 0.02 0.28 5.08 -1.69 -2.10 114.58 117.50 1jwk h GLU 179 Ca 0.08 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1jwk h GLU 179 Cb 0.41 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1jwk h GLU 179 CO 0.02 1.08 -0.01 1.25 -1.00 0.00 0.00 179.01 180.35 1jwk h LEU 180 N 0.71 -0.02 -0.38 1.33 5.85 -0.80 -0.50 115.31 121.50 1jwk h LEU 180 Ca 0.08 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1jwk h LEU 180 Cb 0.86 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 1jwk h LEU 180 CO 0.08 0.11 0.01 0.40 -0.34 0.00 0.00 178.44 178.70 1jwk h ILE 181 N -0.16 0.73 -0.84 4.05 2.04 -1.13 -0.18 117.51 122.03 1jwk h ILE 181 Ca -0.00 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1jwk h ILE 181 Cb 0.15 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1jwk h ILE 181 CO 0.00 0.02 0.56 0.15 0.00 0.00 0.00 178.15 178.88 1jwk h PHE 182 N 0.12 1.05 -0.49 1.37 3.57 -1.24 -2.81 116.94 118.52 1jwk h PHE 182 Ca 0.19 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1jwk h PHE 182 Cb 0.26 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1jwk h PHE 182 CO -0.25 0.66 0.25 0.00 -2.23 0.00 0.00 178.31 176.74 1jwk h ALA 183 N 1.31 0.63 -0.70 2.41 0.00 0.16 -1.37 119.26 121.70 1jwk h ALA 183 Ca 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1jwk h ALA 183 Cb -0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1jwk h ALA 183 CO -0.07 0.18 0.30 1.79 0.00 0.00 0.00 179.25 181.45 1jwk h THR 184 N 0.65 1.23 -0.17 0.00 1.35 -0.84 0.15 112.91 115.29 1jwk h THR 184 Ca 0.17 -0.70 -0.14 0.00 -0.55 0.00 0.00 66.41 65.19 1jwk h THR 184 Cb 0.09 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 66.89 1jwk h THR 184 CO -0.02 0.29 -0.45 0.11 -0.25 0.00 0.00 175.52 175.20 1jwk h LYS 185 N 1.00 0.60 -0.54 4.72 1.57 -1.34 -2.16 116.57 120.42 1jwk h LYS 185 Ca 0.24 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 1jwk h LYS 185 Cb 0.16 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1jwk h LYS 185 CO -0.02 1.04 0.20 0.52 -0.57 0.00 0.00 179.45 180.61 1jwk h MET 186 N 0.26 0.82 -0.79 3.15 2.86 -1.00 0.22 114.93 120.45 1jwk h MET 186 Ca -0.01 -0.16 0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1jwk h MET 186 Cb 1.06 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.55 1jwk h MET 186 CO 0.10 0.73 0.52 0.00 1.06 0.00 0.00 176.91 179.32 1jwk h ALA 187 N 1.05 1.51 -0.07 6.32 0.00 -0.69 0.48 119.26 127.86 1jwk h ALA 187 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1jwk h ALA 187 Cb 0.23 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jwk h ALA 187 CO -0.01 0.42 -0.07 2.35 0.00 0.00 0.00 179.25 181.94 1jwk h TRP 188 N 0.99 0.21 -0.52 0.00 7.01 -0.82 -2.73 115.95 120.09 1jwk h TRP 188 Ca 0.31 -0.06 0.10 0.00 2.11 0.00 0.00 58.89 61.35 1jwk h TRP 188 Cb 0.01 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.00 1jwk h TRP 188 CO -0.00 0.61 0.35 -0.09 -2.79 0.00 0.00 178.44 176.52 1jwk h ARG 189 N -0.25 0.27 -0.53 2.65 2.43 0.37 0.11 114.38 119.43 1jwk h ARG 189 Ca 0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jwk h ARG 189 Cb 0.57 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1jwk h ARG 189 CO 0.02 0.18 0.00 0.09 -1.51 0.00 0.00 179.97 178.75 1jwk n ASN 190 N -4.46 2.81 -4.48 -3.80 3.02 0.16 -4.83 115.26 103.68 1jwk n ASN 190 Ca 0.08 -2.16 -0.43 0.00 -0.03 0.00 0.00 54.58 52.04 1jwk n ASN 190 Cb 0.39 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.59 3.14 0.56 5.41 0.00 0.02 -4.73 121.76 124.58 1jwk s ALA 191 Ca 0.31 -1.58 0.35 0.00 0.00 0.00 0.00 51.96 51.04 1jwk s ALA 191 Cb 0.18 -3.78 1.97 0.00 0.00 0.00 0.00 23.12 21.49 1jwk s ALA 191 CO 0.17 -2.58 2.25 -1.35 0.00 0.00 0.00 175.76 174.26 1jwk h PRO 192 N 9.44 0.00 -0.10 0.00 0.11 -1.88 -2.61 132.00 136.96 1jwk h PRO 192 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 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 1.13 0.02 0.00 0.54 -0.21 0.00 0.00 178.00 179.48 1jwk n ARG 193 N -3.47 2.00 -3.41 1.05 1.74 -1.26 -1.00 116.66 112.31 1jwk n ARG 193 Ca -0.03 -1.47 -0.39 0.00 -0.77 0.00 0.00 57.85 55.20 1jwk n ARG 193 Cb 0.12 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.00 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 5.05 0.19 -0.06 0.00 3.06 -1.26 -3.87 119.36 122.46 1jwk n ILE 195 Ca -0.09 -0.12 0.07 0.00 -2.50 0.00 0.00 62.75 60.10 1jwk n ILE 195 Cb 0.51 -0.16 0.27 0.00 0.54 0.00 0.00 39.64 40.79 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 1.43 2.09 0.00 4.50 0.00 -1.26 -4.26 105.19 107.68 1jwk n GLY 196 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.73 0.00 0.30 1.61 1.74 -1.25 -2.00 116.66 117.79 1jwk n ARG 197 Ca 0.19 0.45 0.19 0.00 -0.77 0.00 0.00 57.85 57.91 1jwk n ARG 197 Cb 0.72 -1.54 0.88 0.00 -1.02 0.00 0.00 32.46 31.49 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 0.06 -0.05 0.55 2.10 -1.86 -1.92 117.51 116.39 1jwk h ILE 198 Ca 0.00 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.59 1jwk h ILE 198 Cb 0.09 1.32 0.00 0.00 -1.09 0.00 0.00 36.82 37.14 1jwk h ILE 198 CO 0.00 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.08 1jwk n GLN 199 N -3.14 1.62 -0.48 2.19 1.13 -0.84 -4.61 117.38 113.25 1jwk n GLN 199 Ca -0.01 -0.90 0.39 0.00 -1.94 0.00 0.00 57.00 54.54 1jwk n GLN 199 Cb 0.22 -1.46 0.69 0.00 0.11 0.00 0.00 30.24 29.80 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 2.11 0.38 -0.00 1.08 5.08 -1.54 0.17 115.95 123.22 1jwk h TRP 200 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 1jwk h TRP 200 Cb 0.45 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.52 1jwk h TRP 200 CO 0.02 -0.13 -0.30 -1.13 -1.28 0.00 0.00 178.44 175.62 1jwk n SER 201 N -4.50 0.43 -4.29 0.11 3.41 -1.26 -4.59 113.62 102.93 1jwk n SER 201 Ca 0.37 -0.18 -0.45 0.00 -0.26 0.00 0.00 58.87 58.35 1jwk n SER 201 Cb 1.50 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 65.43 1jwk n SER 201 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1jwk s ASN 202 N -2.88 6.58 -0.19 4.04 3.04 0.58 -5.00 114.94 121.11 1jwk s ASN 202 Ca 0.16 -2.82 -0.08 0.00 0.04 0.00 0.00 52.86 50.15 1jwk s ASN 202 Cb 0.18 -2.15 0.08 0.00 -1.54 0.00 0.00 41.25 37.82 1jwk s ASN 202 CO 0.61 -0.51 0.43 -0.22 -3.04 0.00 0.00 177.10 174.37 1jwk s LEU 203 N -0.04 -0.42 0.05 3.21 2.96 -1.26 -4.68 118.68 118.50 1jwk s LEU 203 Ca 0.19 0.98 -0.28 0.00 -0.22 0.00 0.00 54.13 54.80 1jwk s LEU 203 Cb -0.11 1.42 -0.05 0.00 0.50 0.00 0.00 46.19 47.95 1jwk s LEU 203 CO -0.08 -0.21 0.91 -1.58 -1.32 0.00 0.00 176.35 174.06 1jwk s GLN 204 N 2.02 4.59 -0.20 1.98 2.00 -0.93 -4.96 119.66 124.16 1jwk s GLN 204 Ca -0.06 1.32 -0.03 0.00 -2.00 0.00 0.00 55.36 54.59 1jwk s GLN 204 Cb -0.10 -3.41 -0.01 0.00 0.80 0.00 0.00 33.01 30.29 1jwk s GLN 204 CO -0.13 0.13 -0.07 0.08 -0.50 0.00 0.00 175.29 174.80 1jwk s VAL 205 N 0.40 3.26 -0.33 1.34 1.01 -1.26 -1.08 120.40 123.73 1jwk s VAL 205 Ca 0.46 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1jwk s VAL 205 Cb -0.22 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 1jwk s VAL 205 CO 0.27 0.45 0.18 -0.36 0.00 0.00 0.00 175.10 175.64 1jwk s PHE 206 N 1.22 3.20 -0.59 5.22 0.08 0.87 -4.99 117.98 122.99 1jwk s PHE 206 Ca 0.02 -0.55 -0.23 0.00 0.12 0.00 0.00 56.93 56.29 1jwk s PHE 206 Cb -0.14 -2.40 0.05 0.00 -0.57 0.00 0.00 43.02 39.96 1jwk s PHE 206 CO -0.02 -0.47 0.92 0.34 -0.10 0.00 0.00 175.22 175.89 1jwk s ASP 207 N 1.63 6.26 -0.26 1.36 2.15 -1.26 -0.69 116.67 125.85 1jwk s ASP 207 Ca 0.05 -0.67 0.09 0.00 0.43 0.00 0.00 52.55 52.45 1jwk s ASP 207 Cb -0.17 -2.41 0.46 0.00 -0.30 0.00 0.00 42.92 40.49 1jwk s ASP 207 CO 0.07 -1.28 1.32 0.00 -0.17 0.00 0.00 175.17 175.12 1jwk n ALA 208 N 7.43 4.16 0.51 3.66 0.00 0.21 -4.72 120.51 131.76 1jwk n ALA 208 Ca -0.01 -3.33 0.07 0.00 0.00 0.00 0.00 53.44 50.17 1jwk n ALA 208 Cb 0.46 -0.52 0.30 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.06 0.04 -0.18 0.00 1.74 -0.96 -1.90 116.66 114.33 1jwk n ARG 209 Ca 0.29 0.24 0.12 0.00 -0.77 0.00 0.00 57.85 57.72 1jwk n ARG 209 Cb 0.85 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 31.03 1jwk n ARG 209 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1jwk n ASN 210 N -1.45 3.20 -4.73 0.55 2.04 -1.26 -4.24 115.26 109.36 1jwk n ASN 210 Ca 0.04 -1.96 -0.32 0.00 -0.44 0.00 0.00 54.58 51.90 1jwk n ASN 210 Cb 0.15 -0.24 0.11 0.00 -2.53 0.00 0.00 39.78 37.26 1jwk n ASN 210 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1jwk n SER 212 N -3.39 0.00 -4.61 0.00 3.41 -1.26 -4.83 113.62 102.94 1jwk n SER 212 Ca 0.11 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.48 1jwk n SER 212 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.84 3.26 0.27 6.66 -4.23 -1.26 -4.55 115.64 114.95 1jwk s THR 213 Ca 0.00 -1.94 -0.04 0.00 -1.18 0.00 0.00 61.69 58.53 1jwk s THR 213 Cb 0.00 -2.72 0.22 0.00 1.34 0.00 0.00 72.50 71.34 1jwk s THR 213 CO 0.00 -0.33 1.89 0.00 -0.54 0.00 0.00 174.62 175.64 1jwk h ALA 214 N 2.11 1.27 -0.61 3.99 0.00 -1.91 -1.24 119.26 122.87 1jwk h ALA 214 Ca -0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1jwk h ALA 214 Cb 1.24 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1jwk h ALA 214 CO 0.59 0.60 0.31 0.37 0.00 0.00 0.00 179.25 181.13 1jwk h GLN 215 N 1.13 0.84 -0.47 0.00 5.75 -1.96 -0.91 115.11 119.48 1jwk h GLN 215 Ca 0.29 -0.09 -0.14 0.00 -0.15 0.00 0.00 58.65 58.56 1jwk h GLN 215 Cb 0.02 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 1jwk h GLN 215 CO -0.05 0.63 -0.24 0.93 -2.65 0.00 0.00 178.83 177.46 1jwk h GLU 216 N 0.85 0.99 -0.24 1.69 5.08 -1.67 -1.91 114.58 119.37 1jwk h GLU 216 Ca 0.21 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1jwk h GLU 216 Cb 0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1jwk h GLU 216 CO -0.03 1.11 0.14 0.52 -1.00 0.00 0.00 179.01 179.75 1jwk h MET 217 N 0.85 0.33 -0.88 2.33 2.86 -0.69 -1.65 114.93 118.08 1jwk h MET 217 Ca 0.10 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.81 1jwk h MET 217 Cb 0.82 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.34 1jwk h MET 217 CO 0.07 0.27 0.52 0.35 1.06 0.00 0.00 176.91 179.18 1jwk h PHE 218 N 0.29 0.94 -0.41 -0.22 3.57 -1.05 0.94 116.94 121.00 1jwk h PHE 218 Ca 0.09 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1jwk h PHE 218 Cb 0.03 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1jwk h PHE 218 CO -0.04 0.38 -0.22 1.96 -2.23 0.00 0.00 178.31 178.16 1jwk h GLN 219 N 0.85 0.82 -0.38 1.11 4.20 -0.86 -1.08 115.11 119.78 1jwk h GLN 219 Ca 0.43 -0.33 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 1jwk h GLN 219 Cb 0.40 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1jwk h GLN 219 CO -0.25 0.96 -0.17 0.45 -0.67 0.00 0.00 178.83 179.15 1jwk h HIS 220 N 0.72 0.90 -0.76 2.96 3.86 -0.36 -1.99 115.15 120.47 1jwk h HIS 220 Ca 0.10 -0.22 -0.04 0.00 -1.16 0.00 0.00 60.37 59.05 1jwk h HIS 220 Cb 0.74 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.97 1jwk h HIS 220 CO 0.04 0.96 0.32 0.82 0.86 0.00 0.00 177.93 180.93 1jwk h ILE 221 N 0.58 1.25 -0.50 2.45 2.04 -0.71 -0.57 117.51 122.05 1jwk h ILE 221 Ca 0.09 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 1jwk h ILE 221 Cb 0.71 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1jwk h ILE 221 CO 0.05 0.32 0.09 0.00 0.00 0.00 0.00 178.15 178.61 1jwk h ARG 223 N 0.70 0.93 0.41 0.00 2.43 -0.90 -0.90 114.38 117.04 1jwk h ARG 223 Ca 0.15 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1jwk h ARG 223 Cb 0.38 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1jwk h ARG 223 CO 0.01 0.69 -0.20 1.25 -1.51 0.00 0.00 179.97 180.21 1jwk h HIS 224 N 0.92 -0.51 -0.80 2.20 2.76 -0.81 -0.33 115.15 118.58 1jwk h HIS 224 Ca 0.24 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.49 1jwk h HIS 224 Cb 0.02 0.17 -0.07 0.00 1.55 0.00 0.00 27.41 29.07 1jwk h HIS 224 CO -0.01 -0.30 0.44 0.82 -1.30 0.00 0.00 177.93 177.58 1jwk h ILE 225 N -0.57 0.88 -0.04 6.26 2.04 -0.91 0.19 117.51 125.37 1jwk h ILE 225 Ca -0.06 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1jwk h ILE 225 Cb 0.43 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1jwk h ILE 225 CO 0.09 0.13 0.01 0.25 0.00 0.00 0.00 178.15 178.64 1jwk h LEU 226 N 0.73 0.06 0.09 1.44 6.46 -0.88 -1.35 115.31 121.86 1jwk h LEU 226 Ca 0.39 -0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1jwk h LEU 226 Cb 0.38 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1jwk h LEU 226 CO -0.26 0.23 -0.04 0.22 -0.62 0.00 0.00 178.44 177.97 1jwk h TYR 227 N -0.12 -0.11 -0.63 1.25 3.20 -0.58 -2.32 116.97 117.66 1jwk h TYR 227 Ca 0.01 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1jwk h TYR 227 Cb 0.19 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1jwk h TYR 227 CO -0.01 -0.02 0.39 0.00 -1.64 0.00 0.00 178.16 176.88 1jwk h ALA 228 N 0.73 0.80 -0.00 1.82 0.00 -0.98 -3.09 119.26 118.55 1jwk h ALA 228 Ca -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jwk h ALA 228 Cb 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jwk h ALA 228 CO 0.02 0.27 0.00 1.15 0.00 0.00 0.00 179.25 180.69 1jwk h THR 229 N 0.86 1.18 -6.88 0.00 2.02 -1.24 0.53 112.91 109.38 1jwk h THR 229 Ca 0.23 -0.53 -0.57 0.00 0.77 0.00 0.00 66.41 66.31 1jwk h THR 229 Cb -0.05 1.54 -0.22 0.00 -1.74 0.00 0.00 68.15 67.69 1jwk h THR 229 CO -0.04 0.14 -0.90 -3.20 0.37 0.00 0.00 175.52 171.89 1jwk n ASN 230 N -4.98 -1.26 -3.53 4.18 5.15 -0.87 -1.40 115.26 112.55 1jwk n ASN 230 Ca -0.08 -1.13 -0.25 0.00 -0.60 0.00 0.00 54.58 52.52 1jwk n ASN 230 Cb 0.13 -2.28 0.06 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 -2.74 -5.93 0.00 1.20 5.15 -1.26 -2.41 115.26 109.27 1jwk n ASN 231 Ca -0.10 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.35 1jwk n ASN 231 Cb 0.58 -4.71 0.00 0.00 -0.53 0.00 0.00 39.78 35.12 1jwk n ASN 231 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jwk n GLY 232 N -1.81 3.35 3.22 8.20 0.00 -0.49 -4.92 105.19 112.73 1jwk n GLY 232 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 0.01 5.27 -4.65 1.61 5.15 -1.01 -0.58 115.26 121.06 1jwk n ASN 233 Ca 0.00 -3.05 -0.46 0.00 -0.60 0.00 0.00 54.58 50.46 1jwk n ASN 233 Cb 0.00 -1.51 -0.03 0.00 -0.53 0.00 0.00 39.78 37.71 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 3.83 0.77 -4.79 -1.44 2.08 -1.24 -4.51 119.36 114.07 1jwk n ILE 234 Ca 0.36 -0.19 -0.27 0.00 0.56 0.00 0.00 62.75 63.21 1jwk n ILE 234 Cb 0.40 -1.30 -0.17 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 -0.20 2.16 0.26 0.38 0.52 0.18 -4.96 118.95 117.28 1jwk s ARG 235 Ca 0.71 -0.57 -0.30 0.00 -0.52 0.00 0.00 55.73 55.06 1jwk s ARG 235 Cb -0.71 -1.71 -0.10 0.00 0.52 0.00 0.00 34.95 32.94 1jwk s ARG 235 CO 0.49 0.07 1.32 -1.12 0.02 0.00 0.00 175.30 176.08 1jwk s SER 236 N 0.57 6.83 0.21 0.23 0.01 -1.26 -4.37 113.70 115.91 1jwk s SER 236 Ca -0.16 2.54 -0.15 0.00 1.31 0.00 0.00 55.95 59.49 1jwk s SER 236 Cb -0.16 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.45 1jwk s SER 236 CO 0.05 -0.54 0.49 0.00 0.41 0.00 0.00 173.24 173.66 1jwk s ALA 237 N -0.41 -0.66 -0.14 1.44 0.00 -0.98 -2.19 121.76 118.82 1jwk s ALA 237 Ca 0.54 -0.48 -0.16 0.00 0.00 0.00 0.00 51.96 51.86 1jwk s ALA 237 Cb -0.38 0.90 0.04 0.00 0.00 0.00 0.00 23.12 23.68 1jwk s ALA 237 CO 0.44 -0.81 0.44 -1.50 0.00 0.00 0.00 175.76 174.33 1jwk s ILE 238 N -3.92 0.01 -0.17 0.00 2.07 -0.24 -1.41 121.20 117.54 1jwk s ILE 238 Ca 0.13 -0.07 -0.00 0.00 -1.41 0.00 0.00 60.65 59.31 1jwk s ILE 238 Cb -0.01 -0.64 0.00 0.00 0.13 0.00 0.00 42.46 41.95 1jwk s ILE 238 CO 0.01 -0.04 -0.15 -0.89 -1.91 0.00 0.00 174.94 171.97 1jwk s THR 239 N -0.06 2.64 -0.34 4.00 2.01 -0.47 -0.09 115.64 123.33 1jwk s THR 239 Ca -0.02 -0.76 -0.12 0.00 0.31 0.00 0.00 61.69 61.09 1jwk s THR 239 Cb -0.03 -2.13 -0.00 0.00 0.01 0.00 0.00 72.50 70.34 1jwk s THR 239 CO 0.02 0.51 0.22 -0.69 -0.69 0.00 0.00 174.62 173.98 1jwk s VAL 240 N 1.01 4.96 0.65 3.82 1.01 0.13 -3.20 120.40 128.79 1jwk s VAL 240 Ca -0.01 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1jwk s VAL 240 Cb -0.15 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.70 1jwk s VAL 240 CO -0.03 -0.05 0.92 -0.36 0.00 0.00 0.00 175.10 175.57 1jwk s PHE 241 N 1.66 2.62 0.25 5.22 0.40 -0.89 -0.62 117.98 126.62 1jwk s PHE 241 Ca 0.05 0.12 -0.29 0.00 -0.60 0.00 0.00 56.93 56.21 1jwk s PHE 241 Cb -0.18 -3.01 -0.15 0.00 0.51 0.00 0.00 43.02 40.19 1jwk s PHE 241 CO 0.09 -1.28 0.99 -2.30 0.70 0.00 0.00 175.22 173.41 1jwk n PRO 242 N -2.70 1.15 -2.01 0.24 -0.02 -1.24 -4.59 135.00 125.83 1jwk n PRO 242 Ca 0.09 0.40 -0.34 0.00 -2.02 0.00 0.00 63.50 61.64 1jwk n PRO 242 Cb 0.60 -1.76 0.02 0.00 -0.02 0.00 0.00 33.50 32.34 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 -1.20 3.12 0.28 -0.52 -2.07 -1.26 -4.58 119.66 113.42 1jwk s GLN 243 Ca 0.63 1.43 -0.30 0.00 -1.82 0.00 0.00 55.36 55.29 1jwk s GLN 243 Cb -0.76 -1.99 -0.11 0.00 -1.09 0.00 0.00 33.01 29.05 1jwk s GLN 243 CO 0.58 -1.01 1.62 0.50 -1.32 0.00 0.00 175.29 175.66 1jwk s ARG 244 N -3.79 4.12 0.00 9.60 3.52 0.93 -4.96 118.95 128.37 1jwk s ARG 244 Ca 0.68 2.59 0.00 0.00 -0.13 0.00 0.00 55.73 58.87 1jwk s ARG 244 Cb -0.21 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 1jwk s ARG 244 CO 0.35 -0.66 0.00 -1.13 -0.81 0.00 0.00 175.30 173.05 1jwk n SER 245 N 2.42 0.00 -0.53 -2.12 3.41 -1.26 -4.75 113.62 110.79 1jwk n SER 245 Ca 0.09 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.77 1jwk n SER 245 Cb 0.37 -0.06 0.05 0.00 -0.26 0.00 0.00 64.21 64.31 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 -1.60 2.07 0.00 4.04 5.75 -1.26 -4.26 116.55 121.29 1jwk n ASP 246 Ca 0.00 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.25 1jwk n ASP 246 Cb 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1jwk n ASP 246 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jwk n GLY 247 N 0.82 0.81 0.00 6.12 0.00 -1.26 -1.91 105.19 109.78 1jwk n GLY 247 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.05 1.55 -2.04 1.61 5.02 -1.26 -4.46 118.16 116.53 1jwk n LYS 248 Ca 0.00 -0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.01 1jwk n LYS 248 Cb 0.00 -1.26 0.02 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.55 2.79 -2.25 2.13 8.25 -1.26 -4.12 115.22 119.21 1jwk n HIS 249 Ca 0.01 -2.28 -0.39 0.00 -0.26 0.00 0.00 57.72 54.80 1jwk n HIS 249 Cb 0.29 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 31.04 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 -3.57 6.53 -0.18 0.41 1.01 -1.26 -3.33 116.67 116.28 1jwk s ASP 250 Ca 0.51 2.42 -0.12 0.00 0.71 0.00 0.00 52.55 56.07 1jwk s ASP 250 Cb 0.41 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.67 1jwk s ASP 250 CO 0.03 -0.67 0.22 -0.36 0.21 0.00 0.00 175.17 174.59 1jwk s PHE 251 N -1.35 3.44 -0.03 4.23 0.40 -1.26 -0.63 117.98 122.77 1jwk s PHE 251 Ca 0.56 0.49 -0.04 0.00 -0.60 0.00 0.00 56.93 57.33 1jwk s PHE 251 Cb -0.33 -2.26 0.01 0.00 0.51 0.00 0.00 43.02 40.95 1jwk s PHE 251 CO 0.41 0.27 0.11 1.03 0.70 0.00 0.00 175.22 177.75 1jwk s ARG 252 N 0.38 0.20 -0.28 0.44 1.81 0.26 -3.07 118.95 118.69 1jwk s ARG 252 Ca 0.13 0.02 -0.09 0.00 -1.72 0.00 0.00 55.73 54.08 1jwk s ARG 252 Cb -0.12 0.09 -0.02 0.00 -0.45 0.00 0.00 34.95 34.45 1jwk s ARG 252 CO 0.01 -0.03 0.12 -0.51 -0.68 0.00 0.00 175.30 174.21 1jwk s LEU 253 N -0.26 3.83 0.43 2.53 1.02 -1.26 -0.66 118.68 124.30 1jwk s LEU 253 Ca -0.03 -0.38 0.24 0.00 0.02 0.00 0.00 54.13 53.97 1jwk s LEU 253 Cb -0.02 -1.97 0.72 0.00 0.02 0.00 0.00 46.19 44.94 1jwk s LEU 253 CO 0.00 -0.12 1.74 -0.50 0.02 0.00 0.00 176.35 177.49 1jwk h TRP 254 N 8.30 0.00 -4.11 0.29 4.06 -1.62 -3.41 115.95 119.46 1jwk h TRP 254 Ca -0.35 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.09 1jwk h TRP 254 Cb 1.16 0.00 0.10 0.00 -1.00 0.00 0.00 29.16 29.41 1jwk h TRP 254 CO 0.66 0.19 0.43 -0.80 -3.56 0.00 0.00 178.44 175.36 1jwk s ASN 255 N -6.15 5.35 0.03 -3.49 -0.87 -1.26 -4.95 114.94 103.60 1jwk s ASN 255 Ca 0.03 2.23 -0.16 0.00 -1.57 0.00 0.00 52.86 53.38 1jwk s ASN 255 Cb 0.08 -2.58 -0.30 0.00 -0.02 0.00 0.00 41.25 38.43 1jwk s ASN 255 CO 0.65 -1.47 1.06 0.28 -2.57 0.00 0.00 177.10 175.05 1jwk h SER 256 N 0.81 0.80 -3.87 -1.22 0.02 -1.93 -3.26 113.55 104.90 1jwk h SER 256 Ca -0.49 -0.84 -0.35 0.00 -0.84 0.00 0.00 61.79 59.26 1jwk h SER 256 Cb 1.27 -0.25 -0.15 0.00 0.14 0.00 0.00 62.40 63.41 1jwk h SER 256 CO 0.55 1.56 -0.72 -1.10 -1.14 0.00 0.00 176.83 175.99 1jwk s GLN 257 N -2.89 1.09 0.07 3.45 1.11 -1.26 -0.95 119.66 120.28 1jwk s GLN 257 Ca -0.10 -1.45 -0.22 0.00 0.01 0.00 0.00 55.36 53.59 1jwk s GLN 257 Cb 0.05 -0.71 -0.13 0.00 -1.01 0.00 0.00 33.01 31.21 1jwk s GLN 257 CO 0.91 0.10 1.58 -0.07 0.01 0.00 0.00 175.29 177.82 1jwk h LEU 258 N 2.81 0.14 -8.82 2.90 4.07 -1.53 -3.42 115.31 111.46 1jwk h LEU 258 Ca -0.37 -0.19 -0.66 0.00 0.08 0.00 0.00 57.88 56.74 1jwk h LEU 258 Cb 1.20 -0.04 -0.23 0.00 1.08 0.00 0.00 40.66 42.67 1jwk h LEU 258 CO 0.62 0.29 -0.71 -0.63 -1.08 0.00 0.00 178.44 176.93 1jwk s ILE 259 N -5.44 3.50 -0.25 1.22 -1.09 -1.26 -4.90 121.20 112.97 1jwk s ILE 259 Ca -0.14 -0.52 -0.26 0.00 -2.23 0.00 0.00 60.65 57.51 1jwk s ILE 259 Cb 0.06 -2.48 0.12 0.00 -1.58 0.00 0.00 42.46 38.57 1jwk s ILE 259 CO 0.69 0.53 0.98 -0.60 -1.23 0.00 0.00 174.94 175.31 1jwk s ARG 260 N 0.05 0.57 0.31 2.79 6.06 -1.26 -4.87 118.95 122.60 1jwk s ARG 260 Ca -0.02 0.56 -0.14 0.00 -2.50 0.00 0.00 55.73 53.62 1jwk s ARG 260 Cb -0.14 0.28 -0.09 0.00 0.06 0.00 0.00 34.95 35.06 1jwk s ARG 260 CO 0.03 -0.09 0.71 0.71 -2.50 0.00 0.00 175.30 174.16 1jwk s TYR 261 N -0.02 3.38 0.53 5.12 2.02 -1.26 -0.54 117.35 126.59 1jwk s TYR 261 Ca 0.02 1.16 -0.10 0.00 -0.37 0.00 0.00 57.07 57.78 1jwk s TYR 261 Cb -0.04 -2.49 -0.05 0.00 -0.40 0.00 0.00 41.96 38.98 1jwk s TYR 261 CO -0.04 0.11 0.92 0.00 -1.57 0.00 0.00 175.55 174.97 1jwk s ALA 262 N -1.97 3.22 -0.06 3.71 0.00 0.48 -4.56 121.76 122.58 1jwk s ALA 262 Ca 0.53 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.33 1jwk s ALA 262 Cb -0.10 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.14 1jwk s ALA 262 CO 0.18 -0.42 -0.12 0.20 0.00 0.00 0.00 175.76 175.60 1jwk s GLY 263 N -3.83 0.75 -0.02 0.00 0.00 -1.24 -1.50 107.32 101.47 1jwk s GLY 263 Ca 0.53 -0.39 0.07 0.00 0.00 0.00 0.00 44.72 44.93 1jwk s GLY 263 CO 0.44 0.09 -0.24 -0.19 0.00 0.00 0.00 173.10 173.21 1jwk s TYR 264 N 0.59 2.12 -0.64 1.90 1.51 0.10 -4.34 117.35 118.59 1jwk s TYR 264 Ca -0.12 -0.40 -0.20 0.00 -1.01 0.00 0.00 57.07 55.33 1jwk s TYR 264 Cb -0.15 -1.37 0.09 0.00 -0.11 0.00 0.00 41.96 40.43 1jwk s TYR 264 CO 0.03 -0.04 0.83 -1.14 -1.11 0.00 0.00 175.55 174.12 1jwk s GLN 265 N -0.55 3.10 0.80 -0.62 -0.44 -1.26 -0.19 119.66 120.49 1jwk s GLN 265 Ca 0.09 -1.16 -0.11 0.00 -2.50 0.00 0.00 55.36 51.68 1jwk s GLN 265 Cb -0.09 -4.28 0.07 0.00 -1.64 0.00 0.00 33.01 27.07 1jwk s GLN 265 CO -0.01 -1.66 1.10 -1.64 0.50 0.00 0.00 175.29 173.58 1jwk s MET 266 N 3.21 2.04 0.21 1.67 -1.94 0.11 -4.95 119.30 119.65 1jwk s MET 266 Ca 0.17 1.17 -0.09 0.00 -1.71 0.00 0.00 55.69 55.23 1jwk s MET 266 Cb -0.20 -1.87 0.26 0.00 2.01 0.00 0.00 34.83 35.03 1jwk s MET 266 CO 0.07 -1.80 1.80 -1.35 -0.01 0.00 0.00 175.02 173.73 1jwk h PRO 267 N -1.24 0.65 0.00 2.03 0.11 -1.96 -1.91 132.00 129.68 1jwk h PRO 267 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1jwk h PRO 267 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1jwk h PRO 267 CO 0.51 0.43 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 1jwk n ASP 268 N -4.80 0.00 0.00 -2.05 5.75 -1.26 -4.82 116.55 109.36 1jwk n ASP 268 Ca 0.09 -0.93 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 1jwk n ASP 268 Cb 0.20 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 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 0.05 2.59 3.83 6.12 0.00 -0.72 -5.04 105.19 112.02 1jwk n GLY 269 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.19 4.19 -0.16 2.61 -4.23 -1.26 -4.77 115.64 109.83 1jwk s THR 270 Ca 0.00 1.01 -0.09 0.00 -1.18 0.00 0.00 61.69 61.42 1jwk s THR 270 Cb 0.00 -3.56 -0.05 0.00 1.34 0.00 0.00 72.50 70.23 1jwk s THR 270 CO 0.00 -0.65 0.15 -0.63 -0.54 0.00 0.00 174.62 172.95 1jwk s ILE 271 N -2.61 5.43 -0.02 2.99 -1.09 -1.26 -0.71 121.20 123.94 1jwk s ILE 271 Ca 0.61 0.23 0.07 0.00 -2.23 0.00 0.00 60.65 59.33 1jwk s ILE 271 Cb -0.13 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.27 1jwk s ILE 271 CO 0.36 0.51 -0.22 -0.60 -1.23 0.00 0.00 174.94 173.76 1jwk s ARG 272 N -0.18 2.19 3.62 2.79 3.52 0.73 -4.95 118.95 126.66 1jwk s ARG 272 Ca 0.11 -0.88 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 1jwk s ARG 272 Cb -0.12 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.13 1jwk s ARG 272 CO 0.01 0.57 0.00 0.41 -0.81 0.00 0.00 175.30 175.48 1jwk n GLY 273 N 2.25 0.12 3.48 8.12 0.00 -1.26 0.00 105.19 117.91 1jwk n GLY 273 Ca -0.16 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 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 6.26 0.61 1.61 -1.08 -0.57 -4.77 116.67 114.72 1jwk s ASP 274 Ca 0.00 -0.68 0.30 0.00 -0.52 0.00 0.00 52.55 51.65 1jwk s ASP 274 Cb 0.00 -2.41 1.63 0.00 -1.46 0.00 0.00 42.92 40.67 1jwk s ASP 274 CO 0.00 -1.28 2.01 0.00 0.52 0.00 0.00 175.17 176.41 1jwk h ALA 275 N 9.39 1.80 0.00 3.66 0.00 -1.78 -1.54 119.26 130.79 1jwk h ALA 275 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1jwk h ALA 275 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jwk h ALA 275 CO 1.11 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1jwk h ALA 276 N 1.59 1.00 -0.49 0.00 0.00 -1.89 -3.25 119.26 116.21 1jwk h ALA 276 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 1jwk h ALA 276 Cb 0.74 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.40 1jwk h ALA 276 CO -0.00 0.00 0.11 0.25 0.00 0.00 0.00 179.25 179.60 1jwk n THR 277 N -2.63 2.67 0.17 0.00 -2.24 -0.58 -4.74 114.28 106.93 1jwk n THR 277 Ca 0.03 -2.33 -0.14 0.00 -2.27 0.00 0.00 64.05 59.35 1jwk n THR 277 Cb 0.39 -0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 68.21 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 1.32 -0.60 -0.15 3.22 3.38 -1.69 -1.04 115.31 119.74 1jwk h LEU 278 Ca 0.26 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1jwk h LEU 278 Cb 1.91 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.86 1jwk h LEU 278 CO 0.53 -0.34 0.08 -0.33 0.09 0.00 0.00 178.44 178.47 1jwk h GLU 279 N -0.51 0.21 -0.42 1.13 5.08 -1.89 -2.27 114.58 115.91 1jwk h GLU 279 Ca -0.01 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1jwk h GLU 279 Cb 0.46 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1jwk h GLU 279 CO -0.04 0.21 0.01 0.35 -1.00 0.00 0.00 179.01 178.55 1jwk h PHE 280 N 0.15 0.70 -0.38 4.33 3.57 -1.89 -1.09 116.94 122.32 1jwk h PHE 280 Ca 0.05 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 1jwk h PHE 280 Cb 0.06 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1jwk h PHE 280 CO -0.04 0.66 0.14 1.15 -2.23 0.00 0.00 178.31 177.98 1jwk h THR 281 N 0.63 1.20 -0.61 4.41 2.02 -1.05 -1.66 112.91 117.86 1jwk h THR 281 Ca 0.13 -0.63 0.04 0.00 0.77 0.00 0.00 66.41 66.72 1jwk h THR 281 Cb 0.38 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 1jwk h THR 281 CO 0.01 0.22 0.35 -0.61 0.37 0.00 0.00 175.52 175.86 1jwk h GLN 282 N 0.47 0.64 -0.91 6.66 5.75 -0.95 -0.82 115.11 125.95 1jwk h GLN 282 Ca 0.13 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.65 1jwk h GLN 282 Cb 0.21 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.55 1jwk h GLN 282 CO -0.01 0.42 0.57 1.25 -2.65 0.00 0.00 178.83 178.42 1jwk h LEU 283 N 0.66 0.91 -0.76 -2.39 5.85 -0.82 0.17 115.31 118.92 1jwk h LEU 283 Ca 0.26 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 1jwk h LEU 283 Cb 0.11 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1jwk h LEU 283 CO -0.14 0.58 0.19 0.00 -0.34 0.00 0.00 178.44 178.72 1jwk h ILE 285 N 1.07 1.26 0.00 0.00 2.04 0.09 -0.89 117.51 121.08 1jwk h ILE 285 Ca 0.23 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.79 1jwk h ILE 285 Cb 0.35 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1jwk h ILE 285 CO -0.00 0.41 -0.31 0.44 0.00 0.00 0.00 178.15 178.69 1jwk h ASP 286 N 0.58 0.00 -0.22 1.72 3.32 -0.25 -2.63 116.42 118.93 1jwk h ASP 286 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1jwk h ASP 286 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1jwk h ASP 286 CO 0.05 0.31 0.00 0.18 -1.72 0.00 0.00 179.24 178.05 1jwk n LEU 287 N -3.87 1.94 0.00 1.55 4.77 -0.67 -4.93 117.00 115.79 1jwk n LEU 287 Ca -0.02 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 1jwk n LEU 287 Cb 0.39 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1jwk n LEU 287 CO 0.36 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1jwk n GLY 288 N 1.17 0.73 3.75 -0.72 0.00 -0.99 -4.80 105.19 104.32 1jwk n GLY 288 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1jwk n GLY 288 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1jwk s TRP 289 N -2.00 3.57 -0.37 1.61 -0.00 -0.40 -4.99 118.94 116.36 1jwk s TRP 289 Ca 0.00 1.64 -0.21 0.00 -0.00 0.00 0.00 56.10 57.53 1jwk s TRP 289 Cb 0.00 -3.30 0.01 0.00 -0.00 0.00 0.00 33.47 30.18 1jwk s TRP 289 CO 0.00 -0.63 0.68 0.15 -0.00 0.00 0.00 176.95 177.15 1jwk s LYS 290 N -1.02 3.65 -0.04 5.86 -0.14 -1.26 -4.31 119.74 122.47 1jwk s LYS 290 Ca 0.47 0.07 -0.30 0.00 -1.36 0.00 0.00 55.97 54.85 1jwk s LYS 290 Cb -0.31 -3.83 -0.06 0.00 -1.68 0.00 0.00 37.83 31.95 1jwk s LYS 290 CO 0.39 -0.81 1.63 -1.25 -0.76 0.00 0.00 175.35 174.55 1jwk s PRO 291 N 2.84 4.19 0.00 -1.68 0.04 -1.26 -4.90 135.00 134.23 1jwk s PRO 291 Ca 0.26 2.18 0.28 0.00 0.04 0.00 0.00 61.00 63.76 1jwk s PRO 291 Cb -0.14 -3.92 1.02 0.00 0.04 0.00 0.00 34.50 31.49 1jwk s PRO 291 CO 0.16 -0.82 1.73 0.54 0.04 0.00 0.00 177.00 178.65 1jwk n ARG 292 N 6.89 0.72 -2.73 4.56 1.74 -1.26 -4.96 116.66 121.62 1jwk n ARG 292 Ca 0.17 -0.33 -0.16 0.00 -0.77 0.00 0.00 57.85 56.76 1jwk n ARG 292 Cb 0.43 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.37 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 -0.85 -1.56 -3.01 -1.55 4.01 -1.26 -4.98 117.16 107.95 1jwk n TYR 293 Ca 0.13 0.16 -0.19 0.00 -0.16 0.00 0.00 57.90 57.84 1jwk n TYR 293 Cb 0.31 -2.89 0.05 0.00 -0.31 0.00 0.00 39.34 36.50 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 -2.26 1.79 0.00 2.72 0.00 -1.26 -5.02 107.32 103.29 1jwk s GLY 294 Ca 0.13 -1.99 0.25 0.00 0.00 0.00 0.00 44.72 43.11 1jwk s GLY 294 CO 0.16 -1.60 1.44 -0.96 0.00 0.00 0.00 173.10 172.14 1jwk n ARG 295 N -2.15 0.36 -3.02 2.90 1.85 -1.26 -4.31 116.66 111.03 1jwk n ARG 295 Ca 0.13 -0.22 -0.17 0.00 -1.00 0.00 0.00 57.85 56.60 1jwk n ARG 295 Cb 0.61 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.51 1jwk n ARG 295 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1jwk n PHE 296 N -1.13 0.80 -3.31 2.89 3.72 -1.26 -4.21 117.46 114.96 1jwk n PHE 296 Ca 0.08 -3.56 -0.39 0.00 -0.05 0.00 0.00 57.45 53.53 1jwk n PHE 296 Cb 0.34 -0.41 -0.08 0.00 -0.94 0.00 0.00 39.48 38.40 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 -2.71 6.35 0.00 4.37 1.01 -1.26 -4.95 116.67 119.49 1jwk s ASP 297 Ca 0.38 0.42 -0.30 0.00 0.71 0.00 0.00 52.55 53.75 1jwk s ASP 297 Cb 0.37 -2.25 -0.07 0.00 1.01 0.00 0.00 42.92 41.99 1jwk s ASP 297 CO -0.06 -0.23 1.63 -0.69 0.21 0.00 0.00 175.17 176.03 1jwk s VAL 298 N 2.15 3.39 0.67 -1.27 1.01 -1.26 -0.38 120.40 124.70 1jwk s VAL 298 Ca 0.18 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 62.67 1jwk s VAL 298 Cb -0.16 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1jwk s VAL 298 CO 0.09 -0.03 1.15 -0.76 0.00 0.00 0.00 175.10 175.55 1jwk s LEU 299 N 3.32 3.41 0.57 3.92 1.43 0.30 -4.87 118.68 126.75 1jwk s LEU 299 Ca 0.73 2.16 -0.07 0.00 -1.03 0.00 0.00 54.13 55.92 1jwk s LEU 299 Cb -0.36 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.28 1jwk s LEU 299 CO 0.30 -1.82 0.90 -2.16 0.23 0.00 0.00 176.35 173.80 1jwk s PRO 300 N -3.92 3.23 0.13 1.29 0.04 -1.26 -4.62 135.00 129.88 1jwk s PRO 300 Ca 0.71 0.22 -0.29 0.00 0.04 0.00 0.00 61.00 61.68 1jwk s PRO 300 Cb -0.24 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.98 1jwk s PRO 300 CO 0.41 -0.54 0.93 -0.51 0.04 0.00 0.00 177.00 177.33 1jwk s LEU 301 N -4.97 4.52 -0.42 -3.56 1.43 0.67 -4.87 118.68 111.48 1jwk s LEU 301 Ca 0.52 1.77 -0.00 0.00 -1.03 0.00 0.00 54.13 55.39 1jwk s LEU 301 Cb -0.11 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.69 1jwk s LEU 301 CO 0.47 -0.01 0.19 -0.69 0.23 0.00 0.00 176.35 176.54 1jwk s VAL 302 N -0.24 2.98 -0.22 -1.59 1.01 -1.26 -0.47 120.40 120.61 1jwk s VAL 302 Ca 0.45 -2.33 -0.09 0.00 0.00 0.00 0.00 61.98 60.01 1jwk s VAL 302 Cb -0.23 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1jwk s VAL 302 CO 0.29 -0.69 0.10 -0.76 0.00 0.00 0.00 175.10 174.04 1jwk s LEU 303 N 0.84 3.83 -0.29 3.92 1.43 0.09 -1.50 118.68 127.00 1jwk s LEU 303 Ca 0.11 0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 1jwk s LEU 303 Cb -0.22 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 43.99 1jwk s LEU 303 CO -0.05 0.07 0.11 -1.58 0.23 0.00 0.00 176.35 175.14 1jwk s GLN 304 N 0.99 3.30 -0.09 1.70 0.74 0.17 -0.09 119.66 126.37 1jwk s GLN 304 Ca 0.05 -0.73 0.02 0.00 0.05 0.00 0.00 55.36 54.76 1jwk s GLN 304 Cb -0.14 -3.45 -0.02 0.00 1.10 0.00 0.00 33.01 30.50 1jwk s GLN 304 CO 0.03 -0.39 -0.16 0.00 -0.55 0.00 0.00 175.29 174.22 1jwk s ALA 305 N 1.57 2.53 -1.45 1.58 0.00 -1.26 -0.58 121.76 124.15 1jwk s ALA 305 Ca 0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.00 1jwk s ALA 305 Cb -0.17 -1.01 0.04 0.00 0.00 0.00 0.00 23.12 21.98 1jwk s ALA 305 CO 0.04 0.38 0.62 -3.47 0.00 0.00 0.00 175.76 173.34 1jwk n ASP 306 N 3.02 -1.63 0.00 0.00 -0.08 -1.22 -1.45 116.55 115.19 1jwk n ASP 306 Ca -0.18 -0.93 0.00 0.00 -1.51 0.00 0.00 54.79 52.17 1jwk n ASP 306 Cb 0.52 -3.36 0.00 0.00 2.34 0.00 0.00 41.12 40.63 1jwk n ASP 306 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jwk n GLY 307 N -1.76 0.29 3.91 0.27 0.00 0.19 -4.60 105.19 103.50 1jwk n GLY 307 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.90 2.95 0.52 1.61 -0.21 -0.53 -4.86 119.66 118.24 1jwk s GLN 308 Ca 0.00 0.04 -0.20 0.00 0.02 0.00 0.00 55.36 55.21 1jwk s GLN 308 Cb 0.00 -2.26 -0.09 0.00 1.00 0.00 0.00 33.01 31.66 1jwk s GLN 308 CO 0.00 -0.70 0.73 -0.25 -2.12 0.00 0.00 175.29 172.95 1jwk n ASP 309 N -2.60 -0.13 -4.76 5.90 9.92 -1.26 -4.16 116.55 119.46 1jwk n ASP 309 Ca 0.04 0.85 -0.39 0.00 -0.53 0.00 0.00 54.79 54.76 1jwk n ASP 309 Cb 0.57 -1.25 -0.04 0.00 -0.64 0.00 0.00 41.12 39.77 1jwk n ASP 309 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1jwk s PRO 310 N -2.12 4.45 -0.06 -0.24 0.04 -1.26 -4.57 135.00 131.24 1jwk s PRO 310 Ca 0.68 1.82 0.04 0.00 0.04 0.00 0.00 61.00 63.58 1jwk s PRO 310 Cb -0.49 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 1jwk s PRO 310 CO 0.54 0.03 -0.16 -1.21 0.04 0.00 0.00 177.00 176.24 1jwk s GLU 311 N -1.77 2.56 0.03 4.56 2.02 0.87 -4.86 118.70 122.11 1jwk s GLU 311 Ca 0.49 -0.73 -0.23 0.00 0.02 0.00 0.00 54.97 54.51 1jwk s GLU 311 Cb -0.31 -2.36 -0.05 0.00 0.10 0.00 0.00 34.13 31.50 1jwk s GLU 311 CO 0.40 0.56 0.71 0.08 0.02 0.00 0.00 175.26 177.03 1jwk s VAL 312 N -0.57 4.79 -0.10 2.63 1.01 -1.26 -0.73 120.40 126.17 1jwk s VAL 312 Ca 0.08 1.50 -0.03 0.00 0.00 0.00 0.00 61.98 63.53 1jwk s VAL 312 Cb -0.11 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.26 1jwk s VAL 312 CO 0.01 0.38 0.06 -0.36 0.00 0.00 0.00 175.10 175.19 1jwk s PHE 313 N -0.11 0.26 0.14 5.22 0.08 0.38 -4.98 117.98 118.96 1jwk s PHE 313 Ca 0.36 -0.07 -0.30 0.00 0.12 0.00 0.00 56.93 57.03 1jwk s PHE 313 Cb -0.20 -0.63 -0.07 0.00 -0.57 0.00 0.00 43.02 41.55 1jwk s PHE 313 CO 0.21 -0.35 1.20 -1.21 -0.10 0.00 0.00 175.22 174.97 1jwk s GLU 314 N 2.11 4.47 -0.04 0.44 2.02 -1.26 -0.24 118.70 126.20 1jwk s GLU 314 Ca 0.04 1.84 -0.30 0.00 0.02 0.00 0.00 54.97 56.56 1jwk s GLU 314 Cb -0.14 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1jwk s GLU 314 CO -0.06 -0.15 1.31 0.42 0.02 0.00 0.00 175.26 176.80 1jwk s ILE 315 N 0.38 4.01 -0.27 -1.63 1.01 -1.26 -4.92 121.20 118.52 1jwk s ILE 315 Ca 0.55 1.34 -0.34 0.00 0.00 0.00 0.00 60.65 62.21 1jwk s ILE 315 Cb -0.31 -3.86 -0.10 0.00 0.01 0.00 0.00 42.46 38.19 1jwk s ILE 315 CO 0.33 -0.02 2.13 -2.65 0.00 0.00 0.00 174.94 174.73 1jwk n PRO 316 N 5.49 1.46 -0.46 2.79 -0.02 -1.26 -4.82 135.00 138.17 1jwk n PRO 316 Ca 0.12 0.43 0.38 0.00 -2.02 0.00 0.00 63.50 62.41 1jwk n PRO 316 Cb 0.45 -2.65 0.67 0.00 -0.02 0.00 0.00 33.50 31.95 1jwk n PRO 316 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1jwk h PRO 317 N 12.25 0.09 0.00 0.52 0.11 -1.95 0.20 132.00 143.23 1jwk h PRO 317 Ca -0.35 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1jwk h PRO 317 Cb 1.29 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1jwk h PRO 317 CO 0.99 0.06 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.32 1jwk h ASP 318 N 0.10 0.00 0.90 -2.05 3.32 -2.04 -2.15 116.42 114.50 1jwk h ASP 318 Ca 0.79 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.84 1jwk h ASP 318 Cb 2.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.16 1jwk h ASP 318 CO -0.31 0.08 -0.06 0.18 -1.72 0.00 0.00 179.24 177.42 1jwk n LEU 319 N -4.23 0.07 -4.33 1.55 4.77 0.71 -4.67 117.00 110.87 1jwk n LEU 319 Ca -0.03 0.42 -0.45 0.00 -0.03 0.00 0.00 56.01 55.92 1jwk n LEU 319 Cb 0.16 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 1jwk n LEU 319 CO 0.33 0.02 0.08 -0.69 -1.33 0.00 0.00 177.39 175.80 1jwk s VAL 320 N -2.96 5.11 0.04 4.08 1.01 -0.81 -4.78 120.40 122.09 1jwk s VAL 320 Ca 0.15 -1.36 -0.27 0.00 0.00 0.00 0.00 61.98 60.50 1jwk s VAL 320 Cb 0.19 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1jwk s VAL 320 CO 0.54 -0.74 0.85 -0.22 0.00 0.00 0.00 175.10 175.54 1jwk s LEU 321 N 1.59 4.43 0.18 3.92 2.96 -1.26 -5.02 118.68 125.48 1jwk s LEU 321 Ca 0.04 1.56 0.08 0.00 -0.22 0.00 0.00 54.13 55.58 1jwk s LEU 321 Cb -0.27 -3.38 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1jwk s LEU 321 CO 0.04 -0.07 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.23 1jwk s GLU 322 N 0.25 1.27 -0.10 1.98 2.02 -1.26 -1.41 118.70 121.45 1jwk s GLU 322 Ca 0.43 -1.47 0.04 0.00 0.02 0.00 0.00 54.97 53.99 1jwk s GLU 322 Cb -0.21 -1.20 0.00 0.00 0.10 0.00 0.00 34.13 32.83 1jwk s GLU 322 CO 0.25 0.22 -0.22 0.08 0.02 0.00 0.00 175.26 175.61 1jwk s VAL 323 N -2.44 1.95 0.06 2.63 1.01 0.40 -4.89 120.40 119.11 1jwk s VAL 323 Ca 0.18 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 1jwk s VAL 323 Cb -0.04 -1.70 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 1jwk s VAL 323 CO 0.06 0.53 0.66 -0.89 0.00 0.00 0.00 175.10 175.47 1jwk s THR 324 N 0.43 4.73 -0.21 3.92 2.01 -1.26 -1.69 115.64 123.56 1jwk s THR 324 Ca -0.17 1.40 -0.25 0.00 0.31 0.00 0.00 61.69 62.98 1jwk s THR 324 Cb -0.17 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 1jwk s THR 324 CO 0.07 0.46 0.85 -0.04 -0.69 0.00 0.00 174.62 175.28 1jwk s MET 325 N -0.57 4.23 0.06 4.92 -1.94 -0.32 -4.82 119.30 120.86 1jwk s MET 325 Ca 0.33 1.02 0.02 0.00 -1.71 0.00 0.00 55.69 55.34 1jwk s MET 325 Cb -0.20 -3.62 -0.03 0.00 2.01 0.00 0.00 34.83 32.99 1jwk s MET 325 CO 0.21 -0.46 -0.07 -1.21 -0.01 0.00 0.00 175.02 173.47 1jwk s GLU 326 N 2.62 0.64 -0.03 2.03 2.02 -1.26 -3.77 118.70 120.95 1jwk s GLU 326 Ca 0.37 -0.98 0.02 0.00 0.02 0.00 0.00 54.97 54.40 1jwk s GLU 326 Cb -0.16 -0.24 -0.03 0.00 0.10 0.00 0.00 34.13 33.80 1jwk s GLU 326 CO 0.09 0.02 -0.06 -1.58 0.02 0.00 0.00 175.26 173.75 1jwk s HIS 327 N -2.27 2.95 -0.04 1.61 5.65 -1.26 -4.41 115.29 117.53 1jwk s HIS 327 Ca -0.02 0.02 0.30 0.00 0.25 0.00 0.00 55.06 55.61 1jwk s HIS 327 Cb -0.04 -1.67 1.41 0.00 -1.18 0.00 0.00 32.58 31.10 1jwk s HIS 327 CO -0.02 0.37 1.91 -1.00 -0.65 0.00 0.00 174.74 175.35 1jwk h PRO 328 N 4.86 0.00 0.00 2.88 0.13 -1.92 -3.34 132.00 134.61 1jwk h PRO 328 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1jwk h PRO 328 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1jwk h PRO 328 CO 0.53 0.00 -0.98 1.63 -0.23 0.00 0.00 178.00 178.96 1jwk n LYS 329 N -2.65 0.00 -2.65 0.86 4.76 -1.26 -4.99 118.16 112.24 1jwk n LYS 329 Ca -0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1jwk n LYS 329 Cb 0.18 -0.79 -0.03 0.00 -1.84 0.00 0.00 35.03 32.55 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 -1.99 2.64 0.29 2.13 4.12 -1.25 -4.88 117.35 118.40 1jwk s TYR 330 Ca 0.00 0.27 0.26 0.00 0.02 0.00 0.00 57.07 57.63 1jwk s TYR 330 Cb 0.00 -4.41 1.23 0.00 -1.52 0.00 0.00 41.96 37.26 1jwk s TYR 330 CO 0.00 -1.56 1.96 0.93 0.02 0.00 0.00 175.55 176.91 1jwk h GLU 331 N 9.51 0.00 0.00 -0.62 5.08 -1.94 -2.49 114.58 124.12 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 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1jwk h GLU 331 CO 1.17 0.17 0.00 -2.67 -1.00 0.00 0.00 179.01 176.67 1jwk n TRP 332 N -3.50 0.46 -0.18 4.33 4.27 -1.26 -3.73 117.44 117.83 1jwk n TRP 332 Ca -0.01 0.15 -0.06 0.00 -3.89 0.00 0.00 57.50 53.70 1jwk n TRP 332 Cb 0.32 -0.75 0.04 0.00 -1.36 0.00 0.00 31.31 29.56 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 0.64 0.00 -2.67 3.57 -1.81 -1.36 116.94 115.30 1jwk h PHE 333 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1jwk h PHE 333 Cb 0.48 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1jwk h PHE 333 CO 0.00 0.38 0.00 -0.56 -2.23 0.00 0.00 178.31 175.90 1jwk h GLN 334 N 0.68 0.00 0.00 1.11 3.07 -1.65 -1.15 115.11 117.17 1jwk h GLN 334 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.95 1jwk h GLN 334 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.55 1jwk h GLN 334 CO -0.08 0.00 0.00 0.93 0.09 0.00 0.00 178.83 179.77 1jwk h GLU 335 N 0.00 0.00 0.00 0.06 5.08 -1.45 -0.08 114.58 118.19 1jwk h GLU 335 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1jwk h GLU 335 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1jwk h GLU 335 CO 0.00 0.00 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.89 1jwk h LEU 336 N 0.00 0.00 -0.09 1.33 3.38 -1.24 -3.47 115.31 115.23 1jwk h LEU 336 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 1jwk h LEU 336 Cb 0.40 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.23 1jwk h LEU 336 CO 0.00 0.05 -0.48 0.61 0.09 0.00 0.00 178.44 178.72 1jwk n GLY 337 N -0.23 -0.19 3.92 0.83 0.00 -0.04 -5.02 105.19 104.46 1jwk n GLY 337 Ca -0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.36 4.19 0.26 0.99 1.43 -1.26 -5.02 118.68 113.91 1jwk s LEU 338 Ca 0.32 0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 53.72 1jwk s LEU 338 Cb -0.14 -3.28 0.03 0.00 0.03 0.00 0.00 46.19 42.82 1jwk s LEU 338 CO 0.40 -0.07 0.69 -1.59 0.23 0.00 0.00 176.35 176.01 1jwk s LYS 339 N -3.31 1.71 0.07 1.70 -2.85 -1.26 -1.17 119.74 114.63 1jwk s LYS 339 Ca 0.40 -0.93 -0.22 0.00 -1.00 0.00 0.00 55.97 54.22 1jwk s LYS 339 Cb -0.11 0.60 0.05 0.00 -2.06 0.00 0.00 37.83 36.31 1jwk s LYS 339 CO 0.29 -0.77 0.51 -0.46 0.10 0.00 0.00 175.35 175.02 1jwk s TRP 340 N -3.90 -0.41 0.39 1.78 -0.11 -0.68 -4.96 118.94 111.05 1jwk s TRP 340 Ca 0.10 0.39 -0.24 0.00 1.22 0.00 0.00 56.10 57.57 1jwk s TRP 340 Cb -0.05 0.36 -0.09 0.00 -1.50 0.00 0.00 33.47 32.18 1jwk s TRP 340 CO 0.04 -0.67 1.04 1.52 -4.62 0.00 0.00 176.95 174.26 1jwk s TYR 341 N -2.75 3.29 -0.55 5.86 1.13 -1.26 -0.45 117.35 122.61 1jwk s TYR 341 Ca -0.04 1.65 0.24 0.00 -1.41 0.00 0.00 57.07 57.52 1jwk s TYR 341 Cb -0.00 -3.12 0.54 0.00 -1.10 0.00 0.00 41.96 38.28 1jwk s TYR 341 CO -0.04 -0.58 1.68 0.00 -2.51 0.00 0.00 175.55 174.10 1jwk h ALA 342 N 2.53 1.00 -3.02 9.51 0.00 -1.58 -3.45 119.26 124.26 1jwk h ALA 342 Ca -0.48 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 53.73 1jwk h ALA 342 Cb 1.21 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.73 1jwk h ALA 342 CO 0.62 0.00 -0.57 -1.17 0.00 0.00 0.00 179.25 178.13 1jwk s LEU 343 N -5.53 4.48 -0.51 0.00 2.96 -1.26 -4.58 118.68 114.23 1jwk s LEU 343 Ca 0.08 -1.08 -0.22 0.00 -0.22 0.00 0.00 54.13 52.69 1jwk s LEU 343 Cb 0.08 -1.93 0.04 0.00 0.50 0.00 0.00 46.19 44.88 1jwk s LEU 343 CO 0.64 -0.35 0.78 -2.16 -1.32 0.00 0.00 176.35 173.94 1jwk s PRO 344 N 1.46 3.25 -0.09 0.98 0.04 -1.26 -4.58 135.00 134.80 1jwk s PRO 344 Ca -0.00 -0.49 -0.02 0.00 0.04 0.00 0.00 61.00 60.53 1jwk s PRO 344 Cb -0.19 -4.05 0.03 0.00 0.04 0.00 0.00 34.50 30.33 1jwk s PRO 344 CO 0.04 -1.30 0.00 0.00 0.04 0.00 0.00 177.00 175.78 1jwk s ALA 345 N 3.28 0.76 -0.20 8.56 0.00 -1.26 -3.07 121.76 129.83 1jwk s ALA 345 Ca 0.24 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.69 1jwk s ALA 345 Cb -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1jwk s ALA 345 CO 0.17 -0.56 1.07 0.08 0.00 0.00 0.00 175.76 176.52 1jwk s VAL 346 N 1.95 4.62 -0.04 0.00 1.01 0.48 -1.32 120.40 127.10 1jwk s VAL 346 Ca 0.04 1.95 0.16 0.00 0.00 0.00 0.00 61.98 64.13 1jwk s VAL 346 Cb -0.13 -4.26 -0.25 0.00 0.00 0.00 0.00 36.38 31.75 1jwk s VAL 346 CO -0.06 -0.15 0.32 0.00 0.00 0.00 0.00 175.10 175.21 1jwk n ALA 347 N 6.18 2.46 -0.58 5.51 0.00 -0.12 -1.86 120.51 132.10 1jwk n ALA 347 Ca 0.12 -0.50 0.09 0.00 0.00 0.00 0.00 53.44 53.16 1jwk n ALA 347 Cb 0.46 -0.49 0.33 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.16 4.41 -4.94 0.00 2.04 -1.19 -4.46 115.26 108.97 1jwk n ASN 348 Ca -0.07 -2.39 -0.24 0.00 -0.44 0.00 0.00 54.58 51.44 1jwk n ASN 348 Cb 0.52 -0.53 -0.00 0.00 -2.53 0.00 0.00 39.78 37.24 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 -1.73 3.37 -0.16 -3.83 -1.94 -1.26 -4.37 119.30 109.38 1jwk s MET 349 Ca 0.47 -0.28 -0.04 0.00 -1.71 0.00 0.00 55.69 54.13 1jwk s MET 349 Cb 0.30 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.53 1jwk s MET 349 CO 0.24 -0.04 -0.04 -1.17 -0.01 0.00 0.00 175.02 174.00 1jwk s LEU 350 N -4.46 3.22 -0.30 -0.03 0.20 0.42 -4.09 118.68 113.64 1jwk s LEU 350 Ca 0.44 -0.14 -0.19 0.00 0.69 0.00 0.00 54.13 54.92 1jwk s LEU 350 Cb -0.10 -1.77 -0.01 0.00 -0.43 0.00 0.00 46.19 43.87 1jwk s LEU 350 CO 0.38 0.17 0.58 -0.22 -0.29 0.00 0.00 176.35 176.97 1jwk s LEU 351 N 0.38 4.14 -0.19 -0.68 2.96 -0.56 -0.12 118.68 124.61 1jwk s LEU 351 Ca -0.04 0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 54.20 1jwk s LEU 351 Cb -0.14 -2.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 1jwk s LEU 351 CO 0.03 -0.42 0.05 -0.70 -1.32 0.00 0.00 176.35 173.99 1jwk s GLU 352 N 2.49 3.88 -0.14 1.98 -6.30 0.19 -0.34 118.70 120.46 1jwk s GLU 352 Ca 0.23 -0.39 -0.06 0.00 -2.50 0.00 0.00 54.97 52.25 1jwk s GLU 352 Cb -0.15 -3.19 0.06 0.00 0.00 0.00 0.00 34.13 30.85 1jwk s GLU 352 CO 0.11 0.19 0.30 0.54 0.02 0.00 0.00 175.26 176.42 1jwk s VAL 353 N 0.57 -0.32 -1.76 3.70 0.11 -0.61 -1.18 120.40 120.92 1jwk s VAL 353 Ca 0.02 0.21 -0.19 0.00 -2.93 0.00 0.00 61.98 59.10 1jwk s VAL 353 Cb -0.13 -0.48 0.18 0.00 -1.53 0.00 0.00 36.38 34.42 1jwk s VAL 353 CO 0.01 0.09 0.65 0.61 -3.33 0.00 0.00 175.10 173.13 1jwk n GLY 354 N 4.96 -0.40 1.50 6.54 0.00 -1.26 -0.10 105.19 116.44 1jwk n GLY 354 Ca -0.13 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.36 3.11 3.83 -0.02 0.00 -1.26 -2.76 105.19 106.72 1jwk n GLY 355 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 3.92 -0.06 0.99 1.43 0.86 -4.95 118.68 120.86 1jwk s LEU 356 Ca 0.00 1.63 0.03 0.00 -1.03 0.00 0.00 54.13 54.76 1jwk s LEU 356 Cb 0.00 -4.48 0.00 0.00 0.03 0.00 0.00 46.19 41.74 1jwk s LEU 356 CO 0.00 -0.37 -0.16 -1.61 0.23 0.00 0.00 176.35 174.44 1jwk s GLU 357 N -3.25 1.99 -0.47 1.70 2.02 -1.26 -1.58 118.70 117.85 1jwk s GLU 357 Ca 0.61 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 55.02 1jwk s GLU 357 Cb -0.09 -1.63 0.12 0.00 0.10 0.00 0.00 34.13 32.63 1jwk s GLU 357 CO 0.16 0.14 0.24 -0.06 0.02 0.00 0.00 175.26 175.76 1jwk s PHE 358 N 0.36 3.50 0.64 1.61 0.40 0.53 -0.05 117.98 124.98 1jwk s PHE 358 Ca -0.11 -2.79 0.42 0.00 -0.60 0.00 0.00 56.93 53.85 1jwk s PHE 358 Cb -0.15 -3.07 2.31 0.00 0.51 0.00 0.00 43.02 42.63 1jwk s PHE 358 CO 0.04 -0.89 2.35 -1.35 0.70 0.00 0.00 175.22 176.07 1jwk h PRO 359 N 7.36 0.00 -3.86 0.24 0.11 -1.81 -1.50 132.00 132.54 1jwk h PRO 359 Ca -0.07 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.51 1jwk h PRO 359 Cb 0.98 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.71 1jwk h PRO 359 CO 0.66 0.00 -0.78 0.00 -0.21 0.00 0.00 178.00 177.68 1jwk s ALA 360 N -4.20 1.24 -0.49 -0.75 0.00 -1.17 -4.64 121.76 111.75 1jwk s ALA 360 Ca -0.05 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1jwk s ALA 360 Cb 0.13 -1.14 0.22 0.00 0.00 0.00 0.00 23.12 22.33 1jwk s ALA 360 CO 0.44 -0.97 0.80 0.00 0.00 0.00 0.00 175.76 176.03 1jwk s PRO 362 N 0.63 4.38 0.08 0.00 0.04 -1.19 -4.75 135.00 134.19 1jwk s PRO 362 Ca 0.32 2.15 -0.01 0.00 0.04 0.00 0.00 61.00 63.50 1jwk s PRO 362 Cb 0.14 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 1jwk s PRO 362 CO -0.17 -0.20 -0.01 -0.59 0.04 0.00 0.00 177.00 176.07 1jwk s PHE 363 N -0.69 0.69 0.21 0.56 -0.12 -0.78 -1.37 117.98 116.48 1jwk s PHE 363 Ca 0.52 -1.10 -0.13 0.00 -0.05 0.00 0.00 56.93 56.16 1jwk s PHE 363 Cb -0.39 -0.44 0.00 0.00 -0.63 0.00 0.00 43.02 41.57 1jwk s PHE 363 CO 0.47 -0.39 0.43 0.54 -0.05 0.00 0.00 175.22 176.21 1jwk s ASN 364 N -2.98 -0.10 0.00 1.98 4.22 -0.50 -0.39 114.94 117.18 1jwk s ASN 364 Ca 0.13 -0.78 0.00 0.00 -2.14 0.00 0.00 52.86 50.07 1jwk s ASN 364 Cb 0.08 0.54 0.00 0.00 1.28 0.00 0.00 41.25 43.14 1jwk s ASN 364 CO -0.05 -1.04 0.00 0.61 -2.04 0.00 0.00 177.10 174.58 1jwk n GLY 365 N -0.32 5.27 3.54 0.45 0.00 -1.17 -2.33 105.19 110.63 1jwk n GLY 365 Ca -0.06 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 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 1.46 2.36 0.53 1.61 -2.14 -1.26 -4.46 118.94 117.04 1jwk s TRP 366 Ca 0.00 -0.57 -0.18 0.00 2.66 0.00 0.00 56.10 58.01 1jwk s TRP 366 Cb 0.00 -1.42 -0.07 0.00 -3.10 0.00 0.00 33.47 28.88 1jwk s TRP 366 CO 0.00 0.51 1.03 0.71 -2.66 0.00 0.00 176.95 176.54 1jwk s TYR 367 N -2.69 3.09 -0.22 1.66 2.02 -1.26 -4.91 117.35 115.04 1jwk s TYR 367 Ca 0.33 1.54 -0.03 0.00 -0.37 0.00 0.00 57.07 58.53 1jwk s TYR 367 Cb 0.04 -2.98 -0.00 0.00 -0.40 0.00 0.00 41.96 38.62 1jwk s TYR 367 CO 0.16 -0.81 -0.07 1.41 -1.57 0.00 0.00 175.55 174.67 1jwk s MET 368 N -3.69 3.28 0.14 -0.62 -2.45 -1.26 -2.01 119.30 112.70 1jwk s MET 368 Ca 0.64 -0.68 -0.05 0.00 -1.25 0.00 0.00 55.69 54.35 1jwk s MET 368 Cb -0.15 -2.94 0.22 0.00 1.25 0.00 0.00 34.83 33.22 1jwk s MET 368 CO 0.28 -0.21 0.82 0.41 1.05 0.00 0.00 175.02 177.36 1jwk n GLY 369 N 4.76 -0.92 0.32 2.11 0.00 -0.51 -0.39 105.19 110.56 1jwk n GLY 369 Ca -0.19 0.57 0.20 0.00 0.00 0.00 0.00 46.02 46.60 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 0.21 -0.65 2.61 1.35 -1.94 0.62 112.91 115.11 1jwk h THR 370 Ca 0.24 -0.02 -0.03 0.00 -0.55 0.00 0.00 66.41 66.05 1jwk h THR 370 Cb 0.37 1.02 -0.03 0.00 -1.73 0.00 0.00 68.15 67.78 1jwk h THR 370 CO -0.54 0.00 0.30 -0.33 -0.25 0.00 0.00 175.52 174.71 1jwk h GLU 371 N 0.00 0.95 0.00 4.72 5.08 -1.13 -0.00 114.58 124.20 1jwk h GLU 371 Ca -0.00 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1jwk h GLU 371 Cb 0.02 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1jwk h GLU 371 CO 0.00 0.77 -0.42 0.82 -1.00 0.00 0.00 179.01 179.18 1jwk h ILE 372 N 0.91 0.19 -0.82 3.13 2.04 -1.47 -1.77 117.51 119.72 1jwk h ILE 372 Ca 0.22 -1.20 0.07 0.00 1.00 0.00 0.00 64.86 64.95 1jwk h ILE 372 Cb 0.14 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 1jwk h ILE 372 CO -0.03 0.07 0.54 1.23 0.00 0.00 0.00 178.15 179.95 1jwk h GLY 373 N -1.00 1.14 0.00 5.37 0.00 -1.02 -1.16 103.07 106.40 1jwk h GLY 373 Ca -0.04 -0.36 -0.22 0.00 0.00 0.00 0.00 47.33 46.72 1jwk h GLY 373 CO -0.02 0.26 -1.72 -0.62 0.00 0.00 0.00 176.54 174.44 1jwk n VAL 374 N -4.49 1.51 0.13 4.60 0.31 -0.06 -4.00 118.33 116.34 1jwk n VAL 374 Ca 0.12 -0.11 -0.07 0.00 -0.01 0.00 0.00 64.34 64.28 1jwk n VAL 374 Cb 0.22 -2.13 -0.03 0.00 -0.91 0.00 0.00 33.84 30.99 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 -1.00 -0.41 0.38 5.55 2.47 -1.37 -2.02 114.38 117.98 1jwk h ARG 375 Ca -0.33 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.41 1jwk h ARG 375 Cb 1.29 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.68 1jwk h ARG 375 CO -0.20 -0.27 -0.33 -0.44 0.56 0.00 0.00 179.97 179.28 1jwk h ASP 376 N -1.10 -0.89 0.54 7.04 3.32 -1.27 -1.78 116.42 122.29 1jwk h ASP 376 Ca -0.04 0.07 -0.20 0.00 0.02 0.00 0.00 57.03 56.88 1jwk h ASP 376 Cb 0.33 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1jwk h ASP 376 CO 0.07 -0.48 -0.87 -0.26 -1.72 0.00 0.00 179.24 175.99 1jwk h PHE 377 N -0.72 0.33 0.00 4.55 0.04 -1.40 -2.07 116.94 117.67 1jwk h PHE 377 Ca -0.03 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1jwk h PHE 377 Cb 0.64 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.75 1jwk h PHE 377 CO -0.17 0.98 -1.68 0.00 -0.60 0.00 0.00 178.31 176.84 1jwk n ASP 379 N -2.02 3.55 -0.16 0.00 9.92 -0.67 -4.64 116.55 122.52 1jwk n ASP 379 Ca -0.02 1.13 0.06 0.00 -0.53 0.00 0.00 54.79 55.42 1jwk n ASP 379 Cb 0.44 -1.54 0.36 0.00 -0.64 0.00 0.00 41.12 39.74 1jwk n ASP 379 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1jwk h THR 380 N 3.35 1.04 -0.11 -3.53 1.35 -1.93 -1.62 112.91 111.46 1jwk h THR 380 Ca -0.46 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1jwk h THR 380 Cb 1.24 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1jwk h THR 380 CO 0.81 0.14 0.00 0.00 -0.25 0.00 0.00 175.52 176.22 1jwk n GLN 381 N -4.47 1.27 0.00 4.72 0.00 -1.26 -4.47 117.38 113.17 1jwk n GLN 381 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 57.00 56.67 1jwk n GLN 381 Cb 0.20 -1.13 0.00 0.00 0.00 0.00 0.00 30.24 29.32 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 -0.19 0.00 0.06 2.61 5.12 -0.62 -3.68 116.66 119.96 1jwk n ARG 382 Ca 0.06 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.11 1jwk n ARG 382 Cb 0.11 0.00 0.48 0.00 -1.16 0.00 0.00 32.46 31.89 1jwk n ARG 382 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1jwk n TYR 383 N 0.00 0.51 -3.94 -1.55 4.02 -0.78 -4.26 117.16 111.16 1jwk n TYR 383 Ca 0.00 0.15 -0.25 0.00 -0.01 0.00 0.00 57.90 57.79 1jwk n TYR 383 Cb 0.00 -0.74 -0.07 0.00 -0.02 0.00 0.00 39.34 38.51 1jwk n TYR 383 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1jwk n ASN 384 N -1.92 0.50 -0.15 7.72 5.15 -1.09 -4.86 115.26 120.60 1jwk n ASN 384 Ca 0.06 -1.01 0.14 0.00 -0.60 0.00 0.00 54.58 53.17 1jwk n ASN 384 Cb 0.39 -1.25 0.56 0.00 -0.53 0.00 0.00 39.78 38.95 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 -3.86 0.00 -0.15 -1.44 -5.35 -0.17 -4.52 119.36 103.88 1jwk n ILE 385 Ca -0.25 -0.08 -0.04 0.00 -0.27 0.00 0.00 62.75 62.11 1jwk n ILE 385 Cb 0.54 0.02 0.02 0.00 -1.74 0.00 0.00 39.64 38.48 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 0.75 -0.71 -0.79 7.28 5.85 -1.86 -2.23 115.31 123.59 1jwk h LEU 386 Ca 0.00 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1jwk h LEU 386 Cb 0.39 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1jwk h LEU 386 CO 0.00 -0.23 0.23 -0.08 -0.34 0.00 0.00 178.44 178.01 1jwk h GLU 387 N -0.10 1.13 -0.48 1.25 4.81 -1.98 -1.32 114.58 117.89 1jwk h GLU 387 Ca 0.22 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1jwk h GLU 387 Cb 0.45 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1jwk h GLU 387 CO -0.54 0.96 -0.09 1.49 -0.73 0.00 0.00 179.01 180.10 1jwk h GLU 388 N 1.09 0.86 -0.50 1.92 4.81 -1.78 -0.27 114.58 120.71 1jwk h GLU 388 Ca 0.24 -0.29 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 1jwk h GLU 388 Cb 0.30 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1jwk h GLU 388 CO -0.01 0.92 -0.15 0.28 -0.73 0.00 0.00 179.01 179.33 1jwk h VAL 389 N 0.78 1.27 -0.73 0.32 2.07 -1.25 -1.51 116.25 117.20 1jwk h VAL 389 Ca 0.13 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1jwk h VAL 389 Cb 0.60 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1jwk h VAL 389 CO 0.04 0.45 0.40 1.23 0.02 0.00 0.00 177.57 179.72 1jwk h GLY 390 N 0.85 1.08 1.05 2.17 0.00 -0.90 -2.09 103.07 105.23 1jwk h GLY 390 Ca 0.12 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 1jwk h GLY 390 CO 0.05 0.46 0.09 -0.09 0.00 0.00 0.00 176.54 177.06 1jwk h ARG 391 N 1.00 1.03 0.00 4.80 2.43 -0.86 -2.38 114.38 120.40 1jwk h ARG 391 Ca 0.26 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1jwk h ARG 391 Cb 0.02 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1jwk h ARG 391 CO -0.04 0.96 0.00 0.54 -1.51 0.00 0.00 179.97 179.92 1jwk n ARG 392 N -4.27 0.20 0.00 0.20 1.74 -0.58 -1.78 116.66 112.16 1jwk n ARG 392 Ca 0.03 0.35 0.13 0.00 -0.77 0.00 0.00 57.85 57.59 1jwk n ARG 392 Cb 0.29 -1.83 0.30 0.00 -1.02 0.00 0.00 32.46 30.20 1jwk n ARG 392 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1jwk n MET 393 N -2.19 0.85 -3.15 5.56 2.81 -0.81 -4.96 117.12 115.23 1jwk n MET 393 Ca 0.03 -0.55 -0.14 0.00 -1.81 0.00 0.00 57.70 55.23 1jwk n MET 393 Cb 0.28 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 31.35 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 1.36 0.06 4.00 3.03 0.00 -0.73 -5.04 105.19 107.87 1jwk n GLY 394 Ca 0.11 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.75 3.56 -1.32 0.99 1.43 -1.01 -5.01 118.68 112.56 1jwk s LEU 395 Ca 0.35 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 1jwk s LEU 395 Cb -0.15 -2.71 0.10 0.00 0.03 0.00 0.00 46.19 43.46 1jwk s LEU 395 CO 0.43 -0.86 1.85 -0.62 0.23 0.00 0.00 176.35 177.39 1jwk n GLU 396 N -1.98 3.23 0.00 1.70 1.02 -1.26 -4.76 120.64 118.59 1jwk n GLU 396 Ca 0.08 -3.26 0.06 0.00 -0.02 0.00 0.00 57.16 54.02 1jwk n GLU 396 Cb 0.59 -3.21 0.36 0.00 -0.02 0.00 0.00 31.44 29.16 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 4.93 0.00 0.90 2.62 -2.24 -1.26 -1.75 114.28 117.47 1jwk n THR 397 Ca 0.45 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.32 1jwk n THR 397 Cb 0.41 -0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 67.85 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 -0.91 0.00 -3.91 4.78 -0.00 -1.26 -4.83 115.22 109.08 1jwk n HIS 398 Ca 0.09 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.51 1jwk n HIS 398 Cb 0.04 -0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.88 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 -2.80 1.60 0.23 0.61 2.01 -0.72 -5.01 115.64 111.56 1jwk s THR 399 Ca 0.07 -1.61 -0.07 0.00 0.31 0.00 0.00 61.69 60.39 1jwk s THR 399 Cb 0.14 -2.04 0.18 0.00 0.01 0.00 0.00 72.50 70.80 1jwk s THR 399 CO 0.78 -0.39 1.82 -0.07 -0.69 0.00 0.00 174.62 176.07 1jwk h LEU 400 N 7.88 0.64 -1.53 4.42 3.38 -1.88 -1.79 115.31 126.42 1jwk h LEU 400 Ca -0.13 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1jwk h LEU 400 Cb 1.04 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1jwk h LEU 400 CO 0.46 0.39 0.10 0.00 0.09 0.00 0.00 178.44 179.49 1jwk h ALA 401 N 1.39 1.08 0.00 1.53 0.00 -1.94 -0.54 119.26 120.78 1jwk h ALA 401 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1jwk h ALA 401 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1jwk h ALA 401 CO -0.20 -0.08 0.00 -1.13 0.00 0.00 0.00 179.25 177.84 1jwk n SER 402 N -2.36 0.38 -2.16 0.00 3.41 -0.67 -4.90 113.62 107.31 1jwk n SER 402 Ca -0.02 0.57 -0.18 0.00 -0.26 0.00 0.00 58.87 58.98 1jwk n SER 402 Cb 0.14 -0.66 -0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1jwk n SER 402 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jwk n LEU 403 N -1.89 -1.95 -0.10 1.04 4.77 -0.21 -4.91 117.00 113.75 1jwk n LEU 403 Ca 0.04 -0.06 0.02 0.00 -0.03 0.00 0.00 56.01 55.98 1jwk n LEU 403 Cb 0.28 -2.62 0.33 0.00 -2.33 0.00 0.00 43.42 39.08 1jwk n LEU 403 CO 0.22 -0.12 1.18 4.11 -1.33 0.00 0.00 177.39 181.45 1jwk h TRP 404 N -0.22 0.72 -0.82 -1.77 5.08 -1.82 -2.08 115.95 115.05 1jwk h TRP 404 Ca -0.43 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.52 1jwk h TRP 404 Cb 1.32 -0.24 -0.04 0.00 -3.00 0.00 0.00 29.16 27.20 1jwk h TRP 404 CO 0.48 0.47 0.39 0.87 -1.28 0.00 0.00 178.44 179.37 1jwk h LYS 405 N 0.77 1.17 -0.60 0.12 1.57 -1.90 -0.12 116.57 117.57 1jwk h LYS 405 Ca 0.21 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1jwk h LYS 405 Cb -0.06 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.01 1jwk h LYS 405 CO -0.04 0.90 0.17 -0.44 -0.57 0.00 0.00 179.45 179.47 1jwk h ASP 406 N 1.16 0.89 -0.16 0.86 5.19 -1.78 -1.15 116.42 121.42 1jwk h ASP 406 Ca 0.28 -0.22 -0.13 0.00 -0.62 0.00 0.00 57.03 56.34 1jwk h ASP 406 Cb 0.11 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 1jwk h ASP 406 CO -0.04 0.87 -0.36 0.03 -3.12 0.00 0.00 179.24 176.62 1jwk h ARG 407 N 0.86 0.68 0.11 3.56 3.08 -1.14 -2.99 114.38 118.55 1jwk h ARG 407 Ca 0.19 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1jwk h ARG 407 Cb 0.31 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1jwk h ARG 407 CO -0.00 0.94 -0.05 0.00 -1.07 0.00 0.00 179.97 179.78 1jwk h ALA 408 N 1.03 -0.15 -0.64 0.04 0.00 -0.84 -3.01 119.26 115.69 1jwk h ALA 408 Ca 0.06 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.84 1jwk h ALA 408 Cb 0.88 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1jwk h ALA 408 CO 0.08 -0.32 0.43 -0.24 0.00 0.00 0.00 179.25 179.19 1jwk h VAL 409 N -0.66 0.89 -0.49 0.00 3.04 -1.30 -0.75 116.25 116.98 1jwk h VAL 409 Ca -0.01 -0.15 -0.12 0.00 -1.01 0.00 0.00 66.70 65.40 1jwk h VAL 409 Cb 0.52 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.18 1jwk h VAL 409 CO 0.02 0.08 -0.16 0.74 -1.01 0.00 0.00 177.57 177.25 1jwk h THR 410 N 0.45 1.27 -0.42 3.17 2.02 -1.54 -0.93 112.91 116.94 1jwk h THR 410 Ca 0.30 -1.31 -0.09 0.00 0.77 0.00 0.00 66.41 66.07 1jwk h THR 410 Cb 0.57 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1jwk h THR 410 CO -0.09 0.46 -0.11 -0.33 0.37 0.00 0.00 175.52 175.82 1jwk h GLU 411 N 0.83 0.74 -0.59 6.66 4.39 -1.04 -0.11 114.58 125.46 1jwk h GLU 411 Ca 0.12 -0.24 -0.09 0.00 0.34 0.00 0.00 59.36 59.49 1jwk h GLU 411 Cb 0.73 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1jwk h GLU 411 CO 0.06 0.82 0.02 0.82 -1.16 0.00 0.00 179.01 179.57 1jwk h ILE 412 N 0.67 1.26 -0.78 3.13 2.04 -1.08 0.14 117.51 122.89 1jwk h ILE 412 Ca 0.12 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 1jwk h ILE 412 Cb 0.57 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1jwk h ILE 412 CO 0.04 0.40 0.32 0.78 0.00 0.00 0.00 178.15 179.69 1jwk h ASN 413 N 0.93 1.07 -0.58 1.72 2.35 -0.75 -0.40 115.58 119.92 1jwk h ASN 413 Ca 0.17 -0.16 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 1jwk h ASN 413 Cb 0.53 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1jwk h ASN 413 CO 0.03 0.94 -0.03 0.58 -1.65 0.00 0.00 177.43 177.30 1jwk h VAL 414 N 1.13 1.27 -0.40 2.81 2.07 -0.45 -1.85 116.25 120.83 1jwk h VAL 414 Ca 0.26 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1jwk h VAL 414 Cb 0.20 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1jwk h VAL 414 CO -0.02 0.43 0.20 0.00 0.02 0.00 0.00 177.57 178.20 1jwk h ALA 415 N 0.96 0.51 0.15 1.67 0.00 -0.21 -0.03 119.26 122.31 1jwk h ALA 415 Ca 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jwk h ALA 415 Cb 0.60 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1jwk h ALA 415 CO 0.04 0.05 -0.09 0.28 0.00 0.00 0.00 179.25 179.53 1jwk h VAL 416 N 0.51 0.82 -0.29 0.00 2.07 -0.96 0.23 116.25 118.63 1jwk h VAL 416 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1jwk h VAL 416 Cb 0.09 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1jwk h VAL 416 CO -0.02 0.00 0.15 -0.07 0.02 0.00 0.00 177.57 177.65 1jwk h LEU 417 N -0.22 0.36 -0.96 2.57 3.38 -1.21 -2.17 115.31 117.05 1jwk h LEU 417 Ca -0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1jwk h LEU 417 Cb 0.19 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1jwk h LEU 417 CO 0.02 0.36 0.60 -0.74 0.09 0.00 0.00 178.44 178.76 1jwk h HIS 418 N 0.34 1.25 -0.01 1.13 2.76 -0.88 -1.88 115.15 117.85 1jwk h HIS 418 Ca 0.10 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1jwk h HIS 418 Cb 0.08 -0.41 -0.00 0.00 1.55 0.00 0.00 27.41 28.63 1jwk h HIS 418 CO -0.03 0.82 0.00 0.77 -1.30 0.00 0.00 177.93 178.19 1jwk h SER 419 N 1.32 0.02 -0.96 3.26 0.02 -0.73 0.19 113.55 116.66 1jwk h SER 419 Ca 0.35 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1jwk h SER 419 Cb -0.09 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 1jwk h SER 419 CO -0.07 0.30 0.59 -0.26 -1.14 0.00 0.00 176.83 176.26 1jwk h PHE 420 N -0.27 1.26 -0.17 3.45 -1.00 -1.34 -1.47 116.94 117.40 1jwk h PHE 420 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 1jwk h PHE 420 Cb 0.29 -0.42 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 1jwk h PHE 420 CO 0.02 0.83 0.07 0.37 -1.61 0.00 0.00 178.31 177.99 1jwk h GLN 421 N 1.33 0.25 -0.71 1.51 4.15 -1.24 0.18 115.11 120.58 1jwk h GLN 421 Ca 0.35 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.68 1jwk h GLN 421 Cb -0.08 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 1jwk h GLN 421 CO -0.07 0.33 0.29 -0.22 -1.93 0.00 0.00 178.83 177.23 1jwk h LYS 422 N 0.11 1.05 -0.66 1.69 3.64 -0.67 -2.46 116.57 119.27 1jwk h LYS 422 Ca 0.06 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1jwk h LYS 422 Cb 0.18 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1jwk h LYS 422 CO -0.00 0.85 0.00 1.04 -2.27 0.00 0.00 179.45 179.06 1jwk n GLN 423 N -4.30 2.85 -3.89 1.90 6.02 -0.58 -4.93 117.38 114.45 1jwk n GLN 423 Ca 0.06 -1.70 -0.30 0.00 -0.01 0.00 0.00 57.00 55.06 1jwk n GLN 423 Cb 0.17 -1.76 0.03 0.00 1.02 0.00 0.00 30.24 29.71 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 0.46 -4.96 -4.50 1.08 3.02 -0.91 -4.97 115.26 104.49 1jwk n ASN 424 Ca 0.15 -0.76 -0.34 0.00 -0.03 0.00 0.00 54.58 53.60 1jwk n ASN 424 Cb 0.66 -3.97 -0.12 0.00 -0.61 0.00 0.00 39.78 35.74 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 -3.30 4.00 0.26 2.41 1.01 0.58 -4.30 120.40 121.06 1jwk s VAL 425 Ca 0.66 -0.32 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 1jwk s VAL 425 Cb -0.33 -2.77 -0.13 0.00 0.00 0.00 0.00 36.38 33.16 1jwk s VAL 425 CO 0.82 0.48 1.51 0.41 0.00 0.00 0.00 175.10 178.32 1jwk n THR 426 N 3.65 0.91 -3.55 3.92 -1.04 0.26 -4.29 114.28 114.14 1jwk n THR 426 Ca -0.17 -0.23 -0.14 0.00 -2.04 0.00 0.00 64.05 61.47 1jwk n THR 426 Cb 0.52 -1.71 -0.05 0.00 -1.82 0.00 0.00 70.33 67.27 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 0.04 0.00 -0.03 12.58 2.07 -1.26 -4.40 121.20 130.19 1jwk s ILE 427 Ca 0.67 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.94 1jwk s ILE 427 Cb -0.58 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.02 1jwk s ILE 427 CO 0.48 0.00 -0.11 -0.32 -1.91 0.00 0.00 174.94 173.08 1jwk s MET 428 N -1.19 1.24 0.80 3.50 -2.45 -0.85 -4.99 119.30 115.36 1jwk s MET 428 Ca -0.06 -0.39 -0.11 0.00 -1.25 0.00 0.00 55.69 53.88 1jwk s MET 428 Cb -0.00 -1.12 0.07 0.00 1.25 0.00 0.00 34.83 35.03 1jwk s MET 428 CO 0.05 0.13 1.09 0.16 1.05 0.00 0.00 175.02 177.50 1jwk s ASP 429 N 0.22 4.35 0.37 1.11 1.47 -1.26 -1.43 116.67 121.51 1jwk s ASP 429 Ca -0.05 1.57 0.12 0.00 1.18 0.00 0.00 52.55 55.37 1jwk s ASP 429 Cb -0.10 -2.30 0.73 0.00 -0.34 0.00 0.00 42.92 40.90 1jwk s ASP 429 CO 0.01 -2.09 1.84 1.12 0.68 0.00 0.00 175.17 176.73 1jwk h HIS 430 N -1.17 0.07 0.25 2.11 -0.00 -1.98 -2.42 115.15 112.01 1jwk h HIS 430 Ca -0.46 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 59.88 1jwk h HIS 430 Cb 1.25 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 1jwk h HIS 430 CO 0.51 0.38 -0.12 0.45 -0.00 0.00 0.00 177.93 179.16 1jwk h HIS 431 N 0.06 -0.31 -0.55 6.12 3.86 -1.98 -1.36 115.15 120.98 1jwk h HIS 431 Ca 0.01 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1jwk h HIS 431 Cb 0.60 0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.14 1jwk h HIS 431 CO 0.00 0.04 0.37 1.15 0.86 0.00 0.00 177.93 180.35 1jwk h THR 432 N -0.72 1.05 -0.21 2.45 2.02 -1.95 -1.45 112.91 114.10 1jwk h THR 432 Ca -0.03 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 1jwk h THR 432 Cb 0.49 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1jwk h THR 432 CO 0.06 0.11 -0.02 0.00 0.37 0.00 0.00 175.52 176.04 1jwk h ALA 433 N 1.68 0.29 -0.13 6.16 0.00 -1.38 -1.10 119.26 124.78 1jwk h ALA 433 Ca 0.23 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jwk h ALA 433 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1jwk h ALA 433 CO -0.06 0.04 0.00 0.77 0.00 0.00 0.00 179.25 180.00 1jwk h SER 434 N 0.14 -0.05 -0.70 0.00 0.02 -0.37 0.68 113.55 113.28 1jwk h SER 434 Ca 0.06 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1jwk h SER 434 Cb 0.44 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 1jwk h SER 434 CO 0.01 -0.00 0.45 -0.33 -1.14 0.00 0.00 176.83 175.82 1jwk h GLU 435 N 0.05 0.87 -0.35 3.45 5.08 -1.26 0.23 114.58 122.65 1jwk h GLU 435 Ca 0.06 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1jwk h GLU 435 Cb 0.07 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1jwk h GLU 435 CO -0.10 0.58 0.13 1.03 -1.00 0.00 0.00 179.01 179.64 1jwk h SER 436 N 0.90 0.14 -0.29 1.42 0.87 -0.74 -0.73 113.55 115.12 1jwk h SER 436 Ca 0.27 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.79 1jwk h SER 436 Cb -0.03 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1jwk h SER 436 CO -0.09 0.12 -0.07 0.15 -0.53 0.00 0.00 176.83 176.41 1jwk h PHE 437 N 0.28 0.73 -0.71 2.24 3.57 -0.07 -1.46 116.94 121.52 1jwk h PHE 437 Ca 0.16 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1jwk h PHE 437 Cb 0.13 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1jwk h PHE 437 CO -0.14 0.73 0.19 0.52 -2.23 0.00 0.00 178.31 177.39 1jwk h MET 438 N 0.63 1.13 -0.65 1.11 2.86 -0.20 -0.11 114.93 119.69 1jwk h MET 438 Ca 0.12 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 1jwk h MET 438 Cb 0.50 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1jwk h MET 438 CO 0.03 0.98 0.12 -0.22 1.06 0.00 0.00 176.91 178.88 1jwk h LYS 439 N 1.07 1.07 -0.71 1.72 1.63 -0.84 -2.40 116.57 118.10 1jwk h LYS 439 Ca 0.23 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1jwk h LYS 439 Cb 0.35 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 1jwk h LYS 439 CO -0.00 0.98 0.42 1.25 -3.45 0.00 0.00 179.45 178.64 1jwk h HIS 440 N 0.99 0.95 -0.34 1.91 2.76 -0.76 -1.49 115.15 119.17 1jwk h HIS 440 Ca 0.20 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.39 1jwk h HIS 440 Cb 0.42 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 1jwk h HIS 440 CO 0.03 0.65 0.15 0.52 -1.30 0.00 0.00 177.93 177.98 1jwk h MET 441 N 0.97 0.31 -0.36 5.26 2.86 -0.68 0.19 114.93 123.48 1jwk h MET 441 Ca 0.25 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.93 1jwk h MET 441 Cb -0.01 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 1jwk h MET 441 CO -0.05 0.20 0.07 1.96 1.06 0.00 0.00 176.91 180.15 1jwk h GLN 442 N 0.32 0.18 -0.89 1.72 4.20 -0.97 -0.93 115.11 118.74 1jwk h GLN 442 Ca 0.15 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.89 1jwk h GLN 442 Cb 0.09 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 1jwk h GLN 442 CO -0.12 0.12 0.59 -0.91 -0.67 0.00 0.00 178.83 177.83 1jwk h ASN 443 N 0.19 0.95 -0.26 1.46 2.35 -0.60 -2.46 115.58 117.22 1jwk h ASN 443 Ca 0.17 -0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.72 1jwk h ASN 443 Cb 0.20 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1jwk h ASN 443 CO -0.23 0.65 -0.61 -0.33 -1.65 0.00 0.00 177.43 175.26 1jwk h GLU 444 N 1.10 0.86 -0.05 0.81 4.39 -0.06 -1.03 114.58 120.60 1jwk h GLU 444 Ca 0.36 -0.59 -0.10 0.00 0.34 0.00 0.00 59.36 59.38 1jwk h GLU 444 Cb 0.05 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1jwk h GLU 444 CO -0.11 1.21 -0.41 1.88 -1.16 0.00 0.00 179.01 180.43 1jwk h TYR 445 N 0.64 0.13 -0.10 4.33 -1.99 -1.04 0.41 116.97 119.35 1jwk h TYR 445 Ca -0.00 -0.03 -0.19 0.00 2.00 0.00 0.00 58.73 60.50 1jwk h TYR 445 Cb 1.22 -0.03 0.01 0.00 2.00 0.00 0.00 36.73 39.93 1jwk h TYR 445 CO 0.08 0.51 -0.68 -0.09 -0.00 0.00 0.00 178.16 177.97 1jwk h ARG 446 N 0.10 0.63 0.02 4.88 9.65 -1.41 -1.36 114.38 126.89 1jwk h ARG 446 Ca 0.01 -0.55 -0.19 0.00 -1.10 0.00 0.00 59.98 58.14 1jwk h ARG 446 Cb 0.76 0.13 0.02 0.00 -1.39 0.00 0.00 29.97 29.49 1jwk h ARG 446 CO 0.06 1.17 -0.77 0.00 2.80 0.00 0.00 179.97 183.22 1jwk h ALA 447 N 0.47 0.06 0.00 2.80 0.00 -1.02 -3.41 119.26 118.17 1jwk h ALA 447 Ca -0.06 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1jwk h ALA 447 Cb 1.33 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1jwk h ALA 447 CO 0.14 0.46 -0.40 2.89 0.00 0.00 0.00 179.25 182.33 1jwk n ARG 448 N -4.09 0.00 -3.43 0.00 1.85 0.11 -5.04 116.66 106.05 1jwk n ARG 448 Ca -0.11 -0.88 -0.20 0.00 -1.00 0.00 0.00 57.85 55.66 1jwk n ARG 448 Cb 0.76 -0.48 0.08 0.00 -1.05 0.00 0.00 32.46 31.77 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 0.00 -0.37 0.00 2.89 0.00 -0.51 -4.27 105.19 102.93 1jwk n GLY 449 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.64 2.83 3.12 -0.02 0.00 -1.21 -0.89 105.19 107.38 1jwk n GLY 450 Ca -0.08 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 45.08 1jwk n GLY 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jwk s PRO 452 N 2.81 4.19 -0.03 0.00 0.04 -1.26 -4.62 135.00 136.12 1jwk s PRO 452 Ca 0.16 2.40 -0.03 0.00 0.04 0.00 0.00 61.00 63.57 1jwk s PRO 452 Cb -0.13 -3.50 0.01 0.00 0.04 0.00 0.00 34.50 30.92 1jwk s PRO 452 CO -0.23 -0.73 0.08 0.00 0.04 0.00 0.00 177.00 176.16 1jwk s ALA 453 N 2.34 -0.20 -0.49 8.56 0.00 -0.54 -4.15 121.76 127.28 1jwk s ALA 453 Ca 0.75 0.25 -0.09 0.00 0.00 0.00 0.00 51.96 52.87 1jwk s ALA 453 Cb -0.42 -0.15 0.12 0.00 0.00 0.00 0.00 23.12 22.68 1jwk s ALA 453 CO 0.33 -0.04 0.36 0.34 0.00 0.00 0.00 175.76 176.74 1jwk s ASP 454 N 0.09 5.70 0.17 0.00 -1.08 -0.17 -3.29 116.67 118.09 1jwk s ASP 454 Ca -0.00 -1.99 -0.21 0.00 -0.52 0.00 0.00 52.55 49.83 1jwk s ASP 454 Cb -0.01 -2.01 0.08 0.00 -1.46 0.00 0.00 42.92 39.52 1jwk s ASP 454 CO -0.00 -0.67 1.62 -0.25 0.52 0.00 0.00 175.17 176.38 1jwk h TRP 455 N 8.36 -0.68 -0.92 -5.34 7.01 -1.93 0.17 115.95 122.61 1jwk h TRP 455 Ca -0.19 0.05 0.25 0.00 2.11 0.00 0.00 58.89 61.11 1jwk h TRP 455 Cb 1.07 0.36 -0.05 0.00 -2.10 0.00 0.00 29.16 28.43 1jwk h TRP 455 CO 0.65 -0.33 0.64 0.82 -2.79 0.00 0.00 178.44 177.43 1jwk h ILE 456 N -0.20 0.58 0.05 2.65 2.04 -1.93 -1.76 117.51 118.93 1jwk h ILE 456 Ca 0.18 -0.06 -0.33 0.00 1.00 0.00 0.00 64.86 65.65 1jwk h ILE 456 Cb 0.48 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1jwk h ILE 456 CO -0.49 0.03 -1.92 0.00 0.00 0.00 0.00 178.15 175.77 1jwk n ALA 457 N -2.63 1.27 0.09 1.87 0.00 -0.02 -4.42 120.51 116.68 1jwk n ALA 457 Ca 0.20 -0.77 -0.06 0.00 0.00 0.00 0.00 53.44 52.81 1jwk n ALA 457 Cb 0.88 -0.69 0.05 0.00 0.00 0.00 0.00 19.45 19.70 1jwk n ALA 457 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jwk h LEU 458 N 0.03 0.19 -9.26 0.00 3.38 0.07 -3.44 115.31 106.28 1jwk h LEU 458 Ca -0.37 -0.14 -0.56 0.00 0.09 0.00 0.00 57.88 56.90 1jwk h LEU 458 Cb 2.04 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 1jwk h LEU 458 CO 0.07 0.88 0.84 -0.69 0.09 0.00 0.00 178.44 179.63 1jwk s VAL 459 N -3.41 4.07 0.57 1.22 1.01 -0.80 -4.94 120.40 118.13 1jwk s VAL 459 Ca -0.03 1.37 -0.19 0.00 0.00 0.00 0.00 61.98 63.14 1jwk s VAL 459 Cb 0.11 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 1jwk s VAL 459 CO 0.81 -0.06 0.77 -2.65 0.00 0.00 0.00 175.10 173.97 1jwk n PRO 460 N 5.95 0.74 0.00 2.72 -0.02 -1.26 -4.88 135.00 138.25 1jwk n PRO 460 Ca 0.13 0.29 0.04 0.00 -2.02 0.00 0.00 63.50 61.94 1jwk n PRO 460 Cb 0.45 -1.94 0.20 0.00 -0.02 0.00 0.00 33.50 32.19 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 -0.51 0.05 -4.12 0.52 -0.04 -1.26 -4.42 135.00 125.23 1jwk n PRO 461 Ca 0.13 0.29 -0.10 0.00 -0.04 0.00 0.00 63.50 63.78 1jwk n PRO 461 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.84 0.50 -1.51 0.52 -7.23 -1.26 -4.91 120.40 103.67 1jwk s VAL 462 Ca 0.06 -1.67 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 1jwk s VAL 462 Cb 0.06 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.66 1jwk s VAL 462 CO 0.15 -0.79 0.10 -1.54 -0.31 0.00 0.00 175.10 172.72 1jwk n SER 463 N 0.39 0.44 0.06 4.85 3.41 -1.26 -4.90 113.62 116.60 1jwk n SER 463 Ca -0.15 -1.24 -0.10 0.00 -0.26 0.00 0.00 58.87 57.12 1jwk n SER 463 Cb 0.59 -1.81 -0.06 0.00 -0.26 0.00 0.00 64.21 62.67 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 -1.85 -1.20 2.00 5.00 0.00 -1.91 -2.70 103.07 102.41 1jwk h GLY 464 Ca -0.66 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1jwk h GLY 464 CO 0.68 -0.35 0.00 -1.14 0.00 0.00 0.00 176.54 175.74 1jwk n SER 465 N -4.24 0.12 0.02 0.19 3.41 -1.26 -1.46 113.62 110.40 1jwk n SER 465 Ca -0.05 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.23 1jwk n SER 465 Cb 0.24 -0.56 0.56 0.00 -0.26 0.00 0.00 64.21 64.20 1jwk n SER 465 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1jwk n ILE 466 N -1.64 0.18 -4.00 -1.33 2.08 -1.02 -4.77 119.36 108.85 1jwk n ILE 466 Ca 0.03 -0.04 -0.30 0.00 0.56 0.00 0.00 62.75 63.00 1jwk n ILE 466 Cb 0.16 -0.55 -0.05 0.00 -0.75 0.00 0.00 39.64 38.44 1jwk n ILE 466 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1jwk s THR 467 N -3.02 4.89 0.35 1.39 -4.23 -0.54 -5.04 115.64 109.44 1jwk s THR 467 Ca 0.13 -0.64 0.06 0.00 -1.18 0.00 0.00 61.69 60.06 1jwk s THR 467 Cb 0.17 -3.38 0.14 0.00 1.34 0.00 0.00 72.50 70.76 1jwk s THR 467 CO 0.53 0.11 1.85 1.55 -0.54 0.00 0.00 174.62 178.12 1jwk h PRO 468 N 3.10 0.38 0.00 3.99 0.13 -1.86 -3.11 132.00 134.63 1jwk h PRO 468 Ca -0.46 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1jwk h PRO 468 Cb 1.17 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1jwk h PRO 468 CO 0.70 0.51 -0.01 -0.39 -0.23 0.00 0.00 178.00 178.58 1jwk h VAL 469 N 0.35 0.89 -0.87 1.56 -1.51 -1.89 -2.27 116.25 112.51 1jwk h VAL 469 Ca 0.07 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 1jwk h VAL 469 Cb 0.44 1.01 -0.04 0.00 -2.13 0.00 0.00 31.29 30.57 1jwk h VAL 469 CO 0.03 0.01 0.55 0.15 -1.23 0.00 0.00 177.57 177.07 1jwk h PHE 470 N 0.00 1.13 -0.04 5.19 3.04 -1.74 -2.35 116.94 122.16 1jwk h PHE 470 Ca -0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1jwk h PHE 470 Cb 0.01 -0.38 0.00 0.00 2.56 0.00 0.00 35.95 38.15 1jwk h PHE 470 CO 0.00 0.73 0.00 0.72 -2.02 0.00 0.00 178.31 177.74 1jwk n HIS 471 N -4.38 0.05 -3.39 0.41 -0.00 -0.86 -4.83 115.22 102.22 1jwk n HIS 471 Ca 0.10 -0.02 -0.39 0.00 -0.00 0.00 0.00 57.72 57.41 1jwk n HIS 471 Cb 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.95 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 -1.95 4.10 0.25 -0.41 2.00 -0.89 -1.20 119.66 121.56 1jwk s GLN 472 Ca 0.38 0.12 -0.30 0.00 -2.00 0.00 0.00 55.36 53.56 1jwk s GLN 472 Cb 0.19 -3.59 -0.09 0.00 0.80 0.00 0.00 33.01 30.32 1jwk s GLN 472 CO 0.31 -0.15 1.08 -1.21 -0.50 0.00 0.00 175.29 174.82 1jwk s GLU 473 N 1.68 4.65 0.16 1.67 2.02 -0.70 -5.01 118.70 123.17 1jwk s GLU 473 Ca 0.17 1.75 0.04 0.00 0.02 0.00 0.00 54.97 56.95 1jwk s GLU 473 Cb -0.15 -3.22 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 1jwk s GLU 473 CO 0.09 0.22 -0.07 -1.64 0.02 0.00 0.00 175.26 173.87 1jwk s MET 474 N -1.19 1.10 -0.16 1.61 -1.94 -1.26 -4.68 119.30 112.78 1jwk s MET 474 Ca 0.45 -1.50 0.01 0.00 -1.71 0.00 0.00 55.69 52.94 1jwk s MET 474 Cb -0.31 -0.55 0.02 0.00 2.01 0.00 0.00 34.83 36.00 1jwk s MET 474 CO 0.39 0.01 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.72 1jwk s LEU 475 N -3.19 1.92 -0.23 -0.03 1.02 -1.26 -4.97 118.68 111.94 1jwk s LEU 475 Ca 0.19 -0.57 -0.10 0.00 0.02 0.00 0.00 54.13 53.68 1jwk s LEU 475 Cb 0.04 -1.33 -0.05 0.00 0.02 0.00 0.00 46.19 44.87 1jwk s LEU 475 CO 0.02 -0.02 0.13 0.21 0.02 0.00 0.00 176.35 176.72 1jwk s ASN 476 N 1.32 5.88 0.11 2.29 2.47 -1.21 -1.46 114.94 124.34 1jwk s ASN 476 Ca 0.04 0.05 -0.21 0.00 0.42 0.00 0.00 52.86 53.15 1jwk s ASN 476 Cb -0.13 -2.05 0.06 0.00 -1.45 0.00 0.00 41.25 37.67 1jwk s ASN 476 CO -0.11 0.06 0.53 -0.72 -3.72 0.00 0.00 177.10 173.15 1jwk s TYR 477 N 1.06 -0.43 -0.25 0.43 1.13 -1.26 -4.96 117.35 113.07 1jwk s TYR 477 Ca 0.06 0.29 -0.12 0.00 -1.41 0.00 0.00 57.07 55.89 1jwk s TYR 477 Cb -0.14 0.42 -0.05 0.00 -1.10 0.00 0.00 41.96 41.10 1jwk s TYR 477 CO 0.04 -0.75 0.25 0.08 -2.51 0.00 0.00 175.55 172.67 1jwk s VAL 478 N -3.31 5.28 0.00 -3.49 1.01 -1.26 -4.82 120.40 113.81 1jwk s VAL 478 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1jwk s VAL 478 Cb -0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1jwk s VAL 478 CO -0.09 0.27 0.00 0.18 0.00 0.00 0.00 175.10 175.46 1jwk n LEU 479 N 4.73 0.00 -3.66 3.92 4.77 -1.26 -2.52 117.00 122.98 1jwk n LEU 479 Ca -0.12 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.74 1jwk n LEU 479 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1jwk n LEU 479 CO 0.36 0.00 0.28 -0.55 -1.33 0.00 0.00 177.39 176.15 1jwk s SER 480 N -0.21 -0.70 0.94 -1.43 0.15 -1.26 -4.43 113.70 106.76 1jwk s SER 480 Ca 0.00 1.26 -0.10 0.00 0.70 0.00 0.00 55.95 57.81 1jwk s SER 480 Cb 0.00 1.22 0.16 0.00 -1.71 0.00 0.00 66.02 65.68 1jwk s SER 480 CO 0.00 -0.22 1.13 -2.65 1.20 0.00 0.00 173.24 172.70 1jwk n PRO 481 N 3.37 -0.58 -3.70 5.44 -0.02 -1.26 -4.99 135.00 133.25 1jwk n PRO 481 Ca -0.17 -0.11 -0.14 0.00 -2.02 0.00 0.00 63.50 61.07 1jwk n PRO 481 Cb 0.57 -2.36 -0.08 0.00 -0.02 0.00 0.00 33.50 31.61 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 -2.62 -0.28 -0.45 6.00 5.36 -0.32 -4.07 117.98 121.60 1jwk s PHE 482 Ca 0.67 0.43 -0.14 0.00 -0.96 0.00 0.00 56.93 56.92 1jwk s PHE 482 Cb -0.23 0.17 0.06 0.00 -0.34 0.00 0.00 43.02 42.68 1jwk s PHE 482 CO 0.59 -0.45 0.35 0.71 -1.46 0.00 0.00 175.22 174.95 1jwk s TYR 483 N -1.43 3.25 0.32 10.12 2.02 -1.26 -0.64 117.35 129.74 1jwk s TYR 483 Ca -0.12 -0.94 0.02 0.00 -0.37 0.00 0.00 57.07 55.66 1jwk s TYR 483 Cb -0.04 -3.00 -0.03 0.00 -0.40 0.00 0.00 41.96 38.49 1jwk s TYR 483 CO 0.05 -0.76 0.49 0.71 -1.57 0.00 0.00 175.55 174.47 1jwk s TYR 484 N 1.62 3.44 0.71 2.71 1.51 0.83 -4.88 117.35 123.29 1jwk s TYR 484 Ca 0.04 0.18 -0.09 0.00 -1.01 0.00 0.00 57.07 56.20 1jwk s TYR 484 Cb -0.23 -1.83 0.05 0.00 -0.11 0.00 0.00 41.96 39.84 1jwk s TYR 484 CO 0.07 0.18 1.05 0.71 -1.11 0.00 0.00 175.55 176.44 1jwk s TYR 485 N -2.22 3.05 0.13 2.71 2.02 -0.01 -0.44 117.35 122.59 1jwk s TYR 485 Ca 0.39 0.65 0.02 0.00 -0.37 0.00 0.00 57.07 57.76 1jwk s TYR 485 Cb -0.09 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.25 1jwk s TYR 485 CO 0.34 -1.36 -0.06 -0.65 -1.57 0.00 0.00 175.55 172.25 1jwk s GLN 486 N -5.30 0.95 0.30 -0.62 -0.21 -1.26 -1.30 119.66 112.23 1jwk s GLN 486 Ca 0.59 -1.41 -0.28 0.00 0.02 0.00 0.00 55.36 54.28 1jwk s GLN 486 Cb -0.11 -0.31 -0.09 0.00 1.00 0.00 0.00 33.01 33.50 1jwk s GLN 486 CO 0.47 -0.03 1.11 0.42 -2.12 0.00 0.00 175.29 175.14 1jwk s ILE 487 N -3.57 3.43 -0.20 1.08 -1.09 -1.26 -4.91 121.20 114.69 1jwk s ILE 487 Ca 0.16 1.39 -0.39 0.00 -2.23 0.00 0.00 60.65 59.58 1jwk s ILE 487 Cb 0.05 -3.86 -0.16 0.00 -1.58 0.00 0.00 42.46 36.91 1jwk s ILE 487 CO -0.01 0.29 1.67 -0.62 -1.23 0.00 0.00 174.94 175.04 1jwk n GLU 488 N 0.95 1.20 -0.33 2.79 -0.58 -1.26 -4.84 120.64 118.56 1jwk n GLU 488 Ca -0.00 0.44 0.11 0.00 -0.42 0.00 0.00 57.16 57.29 1jwk n GLU 488 Cb 0.45 -2.12 0.32 0.00 -0.57 0.00 0.00 31.44 29.52 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 6.77 0.79 0.00 3.49 0.13 -1.93 -1.46 132.00 139.79 1jwk h PRO 489 Ca -0.47 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1jwk h PRO 489 Cb 1.32 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1jwk h PRO 489 CO 0.92 0.52 0.00 -2.67 -0.23 0.00 0.00 178.00 176.55 1jwk n TRP 490 N -4.65 0.45 0.02 1.56 2.14 -1.26 -1.06 117.44 114.64 1jwk n TRP 490 Ca 0.20 0.19 -0.09 0.00 2.07 0.00 0.00 57.50 59.87 1jwk n TRP 490 Cb 0.48 -0.81 -0.13 0.00 -0.81 0.00 0.00 31.31 30.04 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 0.04 -0.00 -2.67 1.57 -1.62 -3.38 116.57 110.50 1jwk h LYS 491 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1jwk h LYS 491 Cb 0.22 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1jwk h LYS 491 CO 0.00 0.76 -0.39 0.25 -0.57 0.00 0.00 179.45 179.50 1jwk n THR 492 N -3.21 0.00 -2.38 -0.16 -2.24 -0.95 -5.02 114.28 100.32 1jwk n THR 492 Ca -0.12 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 60.95 1jwk n THR 492 Cb 1.01 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 70.26 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 -1.78 3.44 -0.41 4.78 5.04 -0.22 -5.01 115.29 121.13 1jwk s HIS 493 Ca 0.06 1.44 -0.11 0.00 -1.54 0.00 0.00 55.06 54.91 1jwk s HIS 493 Cb 0.08 -3.42 0.05 0.00 0.04 0.00 0.00 32.58 29.34 1jwk s HIS 493 CO 0.37 -1.15 0.27 0.42 -2.34 0.00 0.00 174.74 172.31 1jwk s ILE 494 N -0.10 4.60 0.29 0.89 1.01 -1.26 -5.00 121.20 121.63 1jwk s ILE 494 Ca 0.52 -1.09 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 1jwk s ILE 494 Cb -0.32 -3.69 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 1jwk s ILE 494 CO 0.37 -0.41 1.33 0.26 0.00 0.00 0.00 174.94 176.50 1jwk s TRP 495 N 1.53 3.08 -0.00 3.97 0.52 -1.26 -4.92 118.94 121.86 1jwk s TRP 495 Ca 0.03 1.30 -0.19 0.00 0.02 0.00 0.00 56.10 57.26 1jwk s TRP 495 Cb -0.22 -3.69 -0.31 0.00 -1.15 0.00 0.00 33.47 28.11 1jwk s TRP 495 CO 0.05 -2.03 0.99 -0.56 0.02 0.00 0.00 176.95 175.43 1jwk h GLN 496 N 4.09 0.44 0.00 4.98 3.07 -1.97 -3.52 115.11 122.20 1jwk h GLN 496 Ca -0.48 -0.65 0.00 0.00 0.09 0.00 0.00 58.65 57.61 1jwk h GLN 496 Cb 1.22 0.23 0.00 0.00 0.08 0.00 0.00 27.48 29.01 1jwk h GLN 496 CO 0.70 1.29 0.00 0.27 0.09 0.00 0.00 178.83 181.18