#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jw2 s GLN 102 N 0.00 2.34 -0.23 -0.52 0.74 -1.26 -5.10 119.66 115.62 3jw2 s GLN 102 Ca 0.00 -1.12 -0.07 0.00 0.05 0.00 0.00 55.36 54.23 3jw2 s GLN 102 Cb 0.00 -2.71 -0.03 0.00 1.10 0.00 0.00 33.01 31.37 3jw2 s GLN 102 CO 0.00 -0.46 0.05 0.42 -0.55 0.00 0.00 175.29 174.75 3jw2 s ILE 103 N 1.21 4.21 0.76 -2.34 1.01 -1.26 -5.10 121.20 119.70 3jw2 s ILE 103 Ca -0.04 -0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 3jw2 s ILE 103 Cb -0.18 -2.95 0.07 0.00 0.01 0.00 0.00 42.46 39.41 3jw2 s ILE 103 CO -0.08 0.37 1.11 0.42 0.00 0.00 0.00 174.94 176.77 3jw2 s THR 104 N 1.40 2.20 -0.22 2.92 -4.23 -1.26 -5.03 115.64 111.42 3jw2 s THR 104 Ca 0.05 -0.08 0.13 0.00 -1.18 0.00 0.00 61.69 60.61 3jw2 s THR 104 Cb -0.15 -3.03 0.46 0.00 1.34 0.00 0.00 72.50 71.12 3jw2 s THR 104 CO 0.03 -0.04 1.35 0.18 -0.54 0.00 0.00 174.62 175.60 3jw2 n LEU 105 N -3.15 3.47 0.22 4.79 4.77 -1.26 -4.63 117.00 121.21 3jw2 n LEU 105 Ca 0.08 -3.54 0.09 0.00 -0.03 0.00 0.00 56.01 52.62 3jw2 n LEU 105 Cb 0.61 -0.56 0.50 0.00 -2.33 0.00 0.00 43.42 41.63 3jw2 n LEU 105 CO 0.55 1.08 0.82 -0.50 -1.33 0.00 0.00 177.39 178.01 3jw2 h TRP 106 N 0.98 0.00 -2.59 -1.77 4.06 -2.06 -3.44 115.95 111.13 3jw2 h TRP 106 Ca 0.09 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.54 3jw2 h TRP 106 Cb 1.36 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.39 3jw2 h TRP 106 CO 0.69 0.24 -0.63 0.15 -3.56 0.00 0.00 178.44 175.32 3jw2 s LYS 107 N -3.81 1.65 0.21 0.49 -0.14 -1.26 -5.10 119.74 111.78 3jw2 s LYS 107 Ca -0.01 -1.89 -0.31 0.00 -1.36 0.00 0.00 55.97 52.41 3jw2 s LYS 107 Cb 0.11 -1.10 -0.10 0.00 -1.68 0.00 0.00 37.83 35.07 3jw2 s LYS 107 CO 0.64 -0.07 1.51 1.03 -0.76 0.00 0.00 175.35 177.69 3jw2 s ARG 108 N -3.80 4.23 -1.18 1.68 0.52 -1.26 -4.86 118.95 114.28 3jw2 s ARG 108 Ca 0.33 2.35 -0.19 0.00 -0.52 0.00 0.00 55.73 57.70 3jw2 s ARG 108 Cb 0.07 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 3jw2 s ARG 108 CO 0.14 -0.52 1.93 -0.35 0.02 0.00 0.00 175.30 176.52 3jw2 n PRO 109 N 3.09 2.30 -3.47 3.54 -0.04 -1.26 -4.93 135.00 134.23 3jw2 n PRO 109 Ca 0.10 -2.60 -0.38 0.00 -0.04 0.00 0.00 63.50 60.58 3jw2 n PRO 109 Cb 0.39 -3.40 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 3jw2 n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3jw2 s LEU 110 N 5.19 4.46 0.24 1.53 1.43 -1.26 -0.95 118.68 129.33 3jw2 s LEU 110 Ca 0.58 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 3jw2 s LEU 110 Cb 0.07 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 3jw2 s LEU 110 CO 0.07 0.29 0.12 0.68 0.23 0.00 0.00 176.35 177.74 3jw2 s VAL 111 N -0.93 0.28 -0.11 -1.59 -7.23 0.47 -4.96 120.40 106.33 3jw2 s VAL 111 Ca 0.24 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.31 3jw2 s VAL 111 Cb -0.17 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 3jw2 s VAL 111 CO 0.14 0.00 0.22 -0.89 -0.31 0.00 0.00 175.10 174.25 3jw2 s THR 112 N -3.93 5.37 0.25 5.32 2.01 -1.26 -0.81 115.64 122.59 3jw2 s THR 112 Ca 0.38 0.39 0.08 0.00 0.31 0.00 0.00 61.69 62.85 3jw2 s THR 112 Cb 0.07 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 3jw2 s THR 112 CO 0.13 0.55 -0.12 0.27 -0.69 0.00 0.00 174.62 174.76 3jw2 s ILE 113 N -0.61 1.88 -0.09 1.82 -4.36 0.40 -1.37 121.20 118.86 3jw2 s ILE 113 Ca 0.16 -2.22 -0.00 0.00 -0.26 0.00 0.00 60.65 58.33 3jw2 s ILE 113 Cb -0.13 -2.27 0.02 0.00 1.25 0.00 0.00 42.46 41.33 3jw2 s ILE 113 CO 0.05 -0.43 -0.06 -0.75 0.24 0.00 0.00 174.94 173.99 3jw2 s LYS 114 N -3.65 1.27 -0.06 0.37 2.20 -0.14 -1.17 119.74 118.55 3jw2 s LYS 114 Ca 0.27 -0.17 -0.03 0.00 -0.36 0.00 0.00 55.97 55.69 3jw2 s LYS 114 Cb 0.00 -1.37 0.04 0.00 -1.51 0.00 0.00 37.83 34.99 3jw2 s LYS 114 CO 0.11 -0.24 0.14 -1.50 -0.36 0.00 0.00 175.35 173.50 3jw2 s ILE 115 N 1.64 -0.06 -1.39 5.43 2.07 -0.64 -1.42 121.20 126.83 3jw2 s ILE 115 Ca 0.02 0.19 -0.03 0.00 -1.41 0.00 0.00 60.65 59.42 3jw2 s ILE 115 Cb -0.13 -0.23 0.00 0.00 0.13 0.00 0.00 42.46 42.23 3jw2 s ILE 115 CO -0.06 0.08 0.44 0.61 -1.91 0.00 0.00 174.94 174.10 3jw2 n GLY 116 N 4.25 -0.37 2.83 1.50 0.00 -1.26 -1.83 105.19 110.31 3jw2 n GLY 116 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3jw2 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jw2 n GLY 117 N -1.36 0.32 3.60 -0.02 0.00 -1.26 -4.99 105.19 101.47 3jw2 n GLY 117 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 3jw2 n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jw2 s GLN 118 N -0.87 2.70 -0.07 1.61 -0.21 -0.76 -5.11 119.66 116.95 3jw2 s GLN 118 Ca 0.00 -0.60 -0.16 0.00 0.02 0.00 0.00 55.36 54.62 3jw2 s GLN 118 Cb 0.00 -2.58 -0.05 0.00 1.00 0.00 0.00 33.01 31.38 3jw2 s GLN 118 CO 0.00 0.65 0.43 -0.51 -2.12 0.00 0.00 175.29 173.74 3jw2 s LEU 119 N -1.04 4.36 0.08 2.90 1.43 -1.26 -1.62 118.68 123.53 3jw2 s LEU 119 Ca 0.14 0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 54.09 3jw2 s LEU 119 Cb -0.11 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3jw2 s LEU 119 CO 0.04 0.15 -0.01 -0.54 0.23 0.00 0.00 176.35 176.21 3jw2 s LYS 120 N -0.10 0.74 -0.10 1.70 1.02 -0.32 -4.98 119.74 117.70 3jw2 s LYS 120 Ca 0.24 -1.31 -0.11 0.00 0.02 0.00 0.00 55.97 54.81 3jw2 s LYS 120 Cb -0.16 0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 37.25 3jw2 s LYS 120 CO 0.11 -0.14 0.25 -2.00 -0.92 0.00 0.00 175.35 172.66 3jw2 s GLU 121 N -3.94 3.82 0.04 1.68 2.12 -1.26 -0.46 118.70 120.70 3jw2 s GLU 121 Ca 0.13 0.07 -0.02 0.00 0.36 0.00 0.00 54.97 55.51 3jw2 s GLU 121 Cb 0.07 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 31.17 3jw2 s GLU 121 CO -0.06 0.59 0.01 0.00 -0.54 0.00 0.00 175.26 175.27 3jw2 s ALA 122 N -0.60 0.18 -0.21 6.30 0.00 0.01 -4.38 121.76 123.06 3jw2 s ALA 122 Ca 0.17 -0.78 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 3jw2 s ALA 122 Cb -0.14 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 3jw2 s ALA 122 CO 0.06 -0.29 0.12 -1.17 0.00 0.00 0.00 175.76 174.49 3jw2 s LEU 123 N -2.18 4.08 -0.28 0.00 2.96 0.50 -0.40 118.68 123.37 3jw2 s LEU 123 Ca -0.04 0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 53.73 3jw2 s LEU 123 Cb -0.01 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.62 3jw2 s LEU 123 CO -0.05 0.15 1.26 -0.76 -1.32 0.00 0.00 176.35 175.62 3jw2 s LEU 124 N 0.54 3.95 -0.30 -0.68 1.43 -0.12 -0.52 118.68 122.98 3jw2 s LEU 124 Ca 0.07 1.28 0.02 0.00 -1.03 0.00 0.00 54.13 54.47 3jw2 s LEU 124 Cb -0.12 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.65 3jw2 s LEU 124 CO 0.00 -0.98 0.01 -0.62 0.23 0.00 0.00 176.35 174.99 3jw2 s ASP 125 N 2.44 4.39 0.32 2.29 -1.08 0.19 -4.78 116.67 120.44 3jw2 s ASP 125 Ca 0.54 -1.75 0.26 0.00 -0.52 0.00 0.00 52.55 51.08 3jw2 s ASP 125 Cb -0.17 -1.38 0.86 0.00 -1.46 0.00 0.00 42.92 40.77 3jw2 s ASP 125 CO 0.20 -0.33 1.76 0.71 0.52 0.00 0.00 175.17 178.03 3jw2 h THR 126 N 6.62 0.00 -0.31 1.71 1.35 -1.94 -3.14 112.91 117.20 3jw2 h THR 126 Ca -0.11 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3jw2 h THR 126 Cb 1.03 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 3jw2 h THR 126 CO 0.48 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 3jw2 n GLY 127 N 0.70 0.52 3.29 5.82 0.00 -1.26 -4.80 105.19 109.45 3jw2 n GLY 127 Ca 0.04 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 3jw2 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jw2 s ALA 128 N -1.58 2.15 -0.04 4.61 0.00 -1.19 -5.04 121.76 120.67 3jw2 s ALA 128 Ca 0.21 -1.08 -0.22 0.00 0.00 0.00 0.00 51.96 50.87 3jw2 s ALA 128 Cb 0.11 -0.60 -0.28 0.00 0.00 0.00 0.00 23.12 22.35 3jw2 s ALA 128 CO 0.14 0.48 0.97 -0.44 0.00 0.00 0.00 175.76 176.90 3jw2 h ASP 129 N 5.75 0.42 -3.57 0.00 3.32 -1.88 -2.09 116.42 118.36 3jw2 h ASP 129 Ca -0.38 -0.88 -0.61 0.00 0.02 0.00 0.00 57.03 55.18 3jw2 h ASP 129 Cb 1.15 -0.13 -0.20 0.00 0.22 0.00 0.00 39.33 40.37 3jw2 h ASP 129 CO 0.47 1.26 -0.82 -0.62 -1.72 0.00 0.00 179.24 177.81 3jw2 s ASP 130 N -6.76 3.07 0.10 6.45 -1.08 -1.26 -2.65 116.67 114.53 3jw2 s ASP 130 Ca -0.14 -0.82 -0.30 0.00 -0.52 0.00 0.00 52.55 50.77 3jw2 s ASP 130 Cb 0.01 -0.20 -0.06 0.00 -1.46 0.00 0.00 42.92 41.21 3jw2 s ASP 130 CO 0.81 0.08 1.15 -0.89 0.52 0.00 0.00 175.17 176.84 3jw2 s THR 131 N -1.58 4.03 -0.06 1.71 2.01 -1.26 -4.54 115.64 115.96 3jw2 s THR 131 Ca 0.16 1.55 0.02 0.00 0.31 0.00 0.00 61.69 63.73 3jw2 s THR 131 Cb -0.08 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.45 3jw2 s THR 131 CO 0.07 0.17 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.40 3jw2 s VAL 132 N 0.61 0.89 0.14 3.82 1.01 -0.80 -0.91 120.40 125.16 3jw2 s VAL 132 Ca 0.55 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 62.29 3jw2 s VAL 132 Cb -0.29 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3jw2 s VAL 132 CO 0.31 0.30 -0.20 -0.63 0.00 0.00 0.00 175.10 174.88 3jw2 s ILE 133 N 0.79 1.84 0.77 2.22 1.01 0.56 -0.66 121.20 127.74 3jw2 s ILE 133 Ca -0.13 -1.78 -0.12 0.00 0.00 0.00 0.00 60.65 58.63 3jw2 s ILE 133 Cb -0.15 -1.76 0.06 0.00 0.01 0.00 0.00 42.46 40.61 3jw2 s ILE 133 CO 0.02 -0.18 1.12 -1.61 0.00 0.00 0.00 174.94 174.29 3jw2 s GLU 134 N -2.41 2.12 -0.04 2.79 2.02 -1.26 -1.82 118.70 120.10 3jw2 s GLU 134 Ca 0.12 1.37 -0.36 0.00 0.02 0.00 0.00 54.97 56.13 3jw2 s GLU 134 Cb -0.08 -1.87 -0.18 0.00 0.10 0.00 0.00 34.13 32.11 3jw2 s GLU 134 CO 0.06 -1.78 0.99 -1.91 0.02 0.00 0.00 175.26 172.64 3jw2 n GLU 135 N -3.31 0.00 -3.66 1.61 4.07 -1.26 -4.74 120.64 113.36 3jw2 n GLU 135 Ca 0.10 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.17 3jw2 n GLU 135 Cb 0.52 -1.33 -0.01 0.00 -0.06 0.00 0.00 31.44 30.56 3jw2 n GLU 135 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3jw2 s MET 136 N 0.25 0.93 -0.15 5.31 0.23 -1.26 -5.08 119.30 119.52 3jw2 s MET 136 Ca 0.82 -0.47 -0.17 0.00 -1.03 0.00 0.00 55.69 54.83 3jw2 s MET 136 Cb -1.14 0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 32.46 3jw2 s MET 136 CO 0.52 -0.42 0.44 -1.12 -2.03 0.00 0.00 175.02 172.41 3jw2 s SER 137 N -2.79 6.58 0.08 -1.18 0.01 -1.26 -5.07 113.70 110.07 3jw2 s SER 137 Ca 0.11 0.69 0.06 0.00 1.31 0.00 0.00 55.95 58.12 3jw2 s SER 137 Cb -0.00 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 3jw2 s SER 137 CO -0.02 -0.02 -0.17 -0.76 0.41 0.00 0.00 173.24 172.68 3jw2 s LEU 138 N 0.86 2.29 0.63 2.44 1.43 -1.26 -4.97 118.68 120.09 3jw2 s LEU 138 Ca 0.23 -0.65 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 3jw2 s LEU 138 Cb -0.15 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.40 3jw2 s LEU 138 CO 0.09 -0.03 1.06 -2.16 0.23 0.00 0.00 176.35 175.54 3jw2 s PRO 139 N -1.81 3.19 0.62 1.29 0.04 -1.26 -4.95 135.00 132.12 3jw2 s PRO 139 Ca 0.01 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.17 3jw2 s PRO 139 Cb -0.10 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3jw2 s PRO 139 CO 0.03 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.58 3jw2 n GLY 140 N -1.32 -2.19 3.90 0.56 0.00 -1.26 -4.94 105.19 99.94 3jw2 n GLY 140 Ca 0.08 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 3jw2 n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jw2 s ARG 141 N -0.27 3.63 0.26 1.61 0.52 -1.26 -5.10 118.95 118.33 3jw2 s ARG 141 Ca 0.00 0.07 0.11 0.00 -0.52 0.00 0.00 55.73 55.39 3jw2 s ARG 141 Cb 0.00 -2.56 -0.05 0.00 0.52 0.00 0.00 34.95 32.86 3jw2 s ARG 141 CO 0.00 0.10 -0.18 1.67 0.02 0.00 0.00 175.30 176.91 3jw2 s TRP 142 N -2.26 2.11 0.24 -0.53 1.48 -1.26 -4.69 118.94 114.02 3jw2 s TRP 142 Ca 0.45 -0.41 0.11 0.00 -1.06 0.00 0.00 56.10 55.19 3jw2 s TRP 142 Cb -0.10 -0.94 -0.05 0.00 -1.16 0.00 0.00 33.47 31.22 3jw2 s TRP 142 CO 0.33 0.60 -0.18 0.15 -4.06 0.00 0.00 176.95 173.79 3jw2 s LYS 143 N -3.55 1.73 0.41 3.25 1.02 -0.45 -4.90 119.74 117.25 3jw2 s LYS 143 Ca 0.28 -1.60 -0.22 0.00 0.02 0.00 0.00 55.97 54.44 3jw2 s LYS 143 Cb -0.03 -1.87 -0.11 0.00 -0.52 0.00 0.00 37.83 35.29 3jw2 s LYS 143 CO 0.13 0.37 0.95 -1.25 -0.92 0.00 0.00 175.35 174.63 3jw2 s PRO 144 N -3.18 4.28 -0.19 -1.68 0.04 -1.26 -0.70 135.00 132.31 3jw2 s PRO 144 Ca 0.27 1.17 -0.24 0.00 0.04 0.00 0.00 61.00 62.24 3jw2 s PRO 144 Cb -0.06 -2.30 0.06 0.00 0.04 0.00 0.00 34.50 32.24 3jw2 s PRO 144 CO 0.14 0.01 0.63 0.21 0.04 0.00 0.00 177.00 178.03 3jw2 s LYS 145 N -2.96 0.81 -0.14 4.56 2.20 -1.15 -4.85 119.74 118.22 3jw2 s LYS 145 Ca 0.60 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.90 3jw2 s LYS 145 Cb -0.11 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.59 3jw2 s LYS 145 CO 0.16 -0.15 -0.15 -1.64 -0.36 0.00 0.00 175.35 173.20 3jw2 s MET 146 N -0.10 3.27 -0.02 4.03 -1.94 -1.26 -1.38 119.30 121.91 3jw2 s MET 146 Ca -0.03 -0.74 0.07 0.00 -1.71 0.00 0.00 55.69 53.28 3jw2 s MET 146 Cb -0.04 -2.59 -0.02 0.00 2.01 0.00 0.00 34.83 34.20 3jw2 s MET 146 CO 0.03 0.12 -0.22 0.96 -0.01 0.00 0.00 175.02 175.90 3jw2 s ILE 147 N 0.56 1.75 -0.22 2.53 -4.36 -0.96 -4.97 121.20 115.52 3jw2 s ILE 147 Ca -0.09 -0.94 -0.09 0.00 -0.26 0.00 0.00 60.65 59.26 3jw2 s ILE 147 Cb -0.16 -1.45 -0.04 0.00 1.25 0.00 0.00 42.46 42.06 3jw2 s ILE 147 CO 0.04 0.49 0.11 -0.83 0.24 0.00 0.00 174.94 174.99 3jw2 s GLY 148 N -0.50 1.92 0.00 6.27 0.00 -1.26 -1.96 107.32 111.79 3jw2 s GLY 148 Ca 0.08 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.93 3jw2 s GLY 148 CO -0.01 0.28 0.00 0.61 0.00 0.00 0.00 173.10 173.98 3jw2 n GLY 149 N 4.09 3.94 0.31 0.20 0.00 0.18 -4.97 105.19 108.94 3jw2 n GLY 149 Ca -0.16 -2.15 0.02 0.00 0.00 0.00 0.00 46.02 43.73 3jw2 n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3jw2 h ILE 150 N 0.50 1.15 -0.02 -0.61 2.10 -2.03 -2.71 117.51 115.90 3jw2 h ILE 150 Ca 0.00 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.54 3jw2 h ILE 150 Cb 0.00 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 36.27 3jw2 h ILE 150 CO 0.00 0.17 -0.15 0.61 -1.08 0.00 0.00 178.15 177.70 3jw2 n GLY 151 N -1.28 0.14 0.00 8.18 0.00 -1.26 -5.06 105.19 105.91 3jw2 n GLY 151 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3jw2 n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jw2 n GLY 152 N 1.30 0.90 3.87 -0.02 0.00 -1.02 -5.11 105.19 105.11 3jw2 n GLY 152 Ca 0.14 -1.96 -0.27 0.00 0.00 0.00 0.00 46.02 43.93 3jw2 n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jw2 s PHE 153 N -2.38 3.35 0.06 1.61 0.40 -1.26 0.51 117.98 120.26 3jw2 s PHE 153 Ca 0.00 0.09 -0.04 0.00 -0.60 0.00 0.00 56.93 56.37 3jw2 s PHE 153 Cb 0.00 -1.62 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 3jw2 s PHE 153 CO 0.00 0.53 0.06 0.96 0.70 0.00 0.00 175.22 177.47 3jw2 s ILE 154 N -1.67 0.17 -0.08 0.64 -4.36 -0.83 -4.98 121.20 110.09 3jw2 s ILE 154 Ca 0.33 -1.40 -0.10 0.00 -0.26 0.00 0.00 60.65 59.21 3jw2 s ILE 154 Cb -0.11 -1.24 -0.05 0.00 1.25 0.00 0.00 42.46 42.31 3jw2 s ILE 154 CO 0.26 -0.78 0.24 -0.54 0.24 0.00 0.00 174.94 174.37 3jw2 s LYS 155 N -3.42 3.66 0.20 0.37 -0.14 -1.26 -2.26 119.74 116.89 3jw2 s LYS 155 Ca 0.02 0.07 -0.00 0.00 -1.36 0.00 0.00 55.97 54.70 3jw2 s LYS 155 Cb 0.04 -3.21 -0.04 0.00 -1.68 0.00 0.00 37.83 32.93 3jw2 s LYS 155 CO -0.08 0.72 0.09 0.14 -0.76 0.00 0.00 175.35 175.46 3jw2 s VAL 156 N -0.96 0.25 -0.22 3.17 -7.23 -0.48 -4.68 120.40 110.25 3jw2 s VAL 156 Ca 0.18 -1.98 -0.09 0.00 -1.81 0.00 0.00 61.98 58.28 3jw2 s VAL 156 Cb -0.14 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 3jw2 s VAL 156 CO 0.07 -0.13 0.11 -0.13 -0.31 0.00 0.00 175.10 174.71 3jw2 s ARG 157 N -4.08 3.95 -0.31 4.82 0.52 0.01 -2.93 118.95 120.94 3jw2 s ARG 157 Ca 0.35 -0.34 -0.12 0.00 -0.52 0.00 0.00 55.73 55.10 3jw2 s ARG 157 Cb 0.07 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 3jw2 s ARG 157 CO 0.10 0.09 0.22 -1.14 0.02 0.00 0.00 175.30 174.58 3jw2 s GLN 158 N 0.92 3.76 -0.12 3.54 0.74 0.12 -0.28 119.66 128.34 3jw2 s GLN 158 Ca 0.05 -0.45 -0.01 0.00 0.05 0.00 0.00 55.36 55.00 3jw2 s GLN 158 Cb -0.13 -3.72 -0.02 0.00 1.10 0.00 0.00 33.01 30.23 3jw2 s GLN 158 CO 0.03 -0.29 -0.07 0.71 -0.55 0.00 0.00 175.29 175.11 3jw2 s TYR 159 N 1.75 2.93 0.21 1.67 1.51 -0.27 -1.34 117.35 123.81 3jw2 s TYR 159 Ca 0.07 -0.31 0.05 0.00 -1.01 0.00 0.00 57.07 55.87 3jw2 s TYR 159 Cb -0.17 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 3jw2 s TYR 159 CO 0.11 0.01 0.22 -0.51 -1.11 0.00 0.00 175.55 174.27 3jw2 s ASP 160 N 0.04 5.77 -1.37 2.29 1.01 -1.26 -0.89 116.67 122.27 3jw2 s ASP 160 Ca -0.02 -0.10 -0.01 0.00 0.71 0.00 0.00 52.55 53.14 3jw2 s ASP 160 Cb -0.14 -1.56 0.00 0.00 1.01 0.00 0.00 42.92 42.23 3jw2 s ASP 160 CO 0.03 0.00 0.56 1.67 0.21 0.00 0.00 175.17 177.65 3jw2 n GLN 161 N -0.88 -4.08 -3.47 8.23 7.27 -1.13 -4.90 117.38 118.41 3jw2 n GLN 161 Ca -0.08 0.51 -0.38 0.00 0.07 0.00 0.00 57.00 57.12 3jw2 n GLN 161 Cb 0.56 -4.86 -0.06 0.00 2.41 0.00 0.00 30.24 28.29 3jw2 n GLN 161 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3jw2 s ILE 162 N -3.80 5.15 -0.04 1.69 -1.09 0.06 -4.73 121.20 118.44 3jw2 s ILE 162 Ca 0.03 0.78 -0.30 0.00 -2.23 0.00 0.00 60.65 58.94 3jw2 s ILE 162 Cb -0.01 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 3jw2 s ILE 162 CO 0.85 0.46 0.98 -0.63 -1.23 0.00 0.00 174.94 175.37 3jw2 s ILE 163 N -0.23 4.85 -0.12 2.92 1.01 -1.26 -1.68 121.20 126.69 3jw2 s ILE 163 Ca 0.22 2.03 -0.10 0.00 0.00 0.00 0.00 60.65 62.80 3jw2 s ILE 163 Cb -0.15 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 38.05 3jw2 s ILE 163 CO 0.10 0.11 0.31 -0.51 0.00 0.00 0.00 174.94 174.95 3jw2 s ILE 164 N 1.35 -0.01 -0.14 2.92 2.07 -0.13 -4.49 121.20 122.77 3jw2 s ILE 164 Ca 0.50 0.02 -0.04 0.00 -1.41 0.00 0.00 60.65 59.72 3jw2 s ILE 164 Cb -0.20 -0.45 -0.03 0.00 0.13 0.00 0.00 42.46 41.91 3jw2 s ILE 164 CO 0.24 0.01 0.02 -0.70 -1.91 0.00 0.00 174.94 172.60 3jw2 s GLU 165 N 0.37 3.53 -0.20 3.50 2.12 -0.51 -0.40 118.70 127.11 3jw2 s GLU 165 Ca -0.02 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 54.92 3jw2 s GLU 165 Cb -0.03 -2.98 0.04 0.00 0.26 0.00 0.00 34.13 31.41 3jw2 s GLU 165 CO -0.01 0.44 -0.10 0.42 -0.54 0.00 0.00 175.26 175.46 3jw2 s ILE 166 N -0.13 1.66 -1.63 -3.70 1.01 0.14 -0.97 121.20 117.58 3jw2 s ILE 166 Ca 0.05 -1.04 -0.15 0.00 0.00 0.00 0.00 60.65 59.50 3jw2 s ILE 166 Cb -0.12 -1.74 0.12 0.00 0.01 0.00 0.00 42.46 40.72 3jw2 s ILE 166 CO 0.02 0.15 0.81 0.00 0.00 0.00 0.00 174.94 175.92 3jw2 n ALA 167 N 4.67 -1.34 -0.13 9.38 0.00 -0.47 0.23 120.51 132.86 3jw2 n ALA 167 Ca -0.15 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3jw2 n ALA 167 Cb 0.46 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.32 3jw2 n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jw2 n GLY 168 N -1.53 1.94 3.72 0.00 0.00 -1.26 -5.02 105.19 103.03 3jw2 n GLY 168 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3jw2 n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jw2 s HIS 169 N -2.85 3.46 0.12 1.61 4.02 0.14 -5.06 115.29 116.72 3jw2 s HIS 169 Ca 0.00 0.60 -0.30 0.00 1.02 0.00 0.00 55.06 56.38 3jw2 s HIS 169 Cb 0.00 -2.35 -0.06 0.00 -1.02 0.00 0.00 32.58 29.14 3jw2 s HIS 169 CO 0.00 0.23 1.07 0.21 1.02 0.00 0.00 174.74 177.26 3jw2 s LYS 170 N 0.51 4.59 0.03 1.40 2.36 -1.26 0.27 119.74 127.63 3jw2 s LYS 170 Ca 0.17 1.62 -0.04 0.00 -2.55 0.00 0.00 55.97 55.17 3jw2 s LYS 170 Cb -0.13 -3.34 -0.01 0.00 -1.05 0.00 0.00 37.83 33.30 3jw2 s LYS 170 CO 0.04 0.03 0.06 0.00 1.55 0.00 0.00 175.35 177.04 3jw2 s ALA 171 N 0.23 0.01 -0.18 3.13 0.00 0.46 -4.78 121.76 120.62 3jw2 s ALA 171 Ca 0.51 -0.59 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 3jw2 s ALA 171 Cb -0.27 0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.15 3jw2 s ALA 171 CO 0.32 -0.29 0.15 0.42 0.00 0.00 0.00 175.76 176.36 3jw2 s ILE 172 N -2.43 -0.20 0.00 0.00 1.01 -1.26 -0.95 121.20 117.37 3jw2 s ILE 172 Ca -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.46 3jw2 s ILE 172 Cb -0.02 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.84 3jw2 s ILE 172 CO -0.04 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.28 3jw2 n GLY 173 N 5.30 2.02 3.72 6.18 0.00 -0.68 -4.79 105.19 116.94 3jw2 n GLY 173 Ca -0.06 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 3jw2 n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jw2 s THR 174 N -2.63 4.55 -0.09 2.61 2.01 -1.26 -0.76 115.64 120.07 3jw2 s THR 174 Ca 0.00 1.95 0.02 0.00 0.31 0.00 0.00 61.69 63.98 3jw2 s THR 174 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.27 3jw2 s THR 174 CO 0.00 0.22 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.31 3jw2 s VAL 175 N 0.54 1.43 -0.15 3.82 1.01 -0.07 -4.46 120.40 122.52 3jw2 s VAL 175 Ca 0.51 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 3jw2 s VAL 175 Cb -0.24 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3jw2 s VAL 175 CO 0.29 0.42 0.12 -0.76 0.00 0.00 0.00 175.10 175.18 3jw2 s LEU 176 N 0.74 4.25 -0.18 3.92 1.43 -0.09 -1.12 118.68 127.64 3jw2 s LEU 176 Ca -0.12 0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 3jw2 s LEU 176 Cb -0.16 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 3jw2 s LEU 176 CO 0.03 0.32 -0.12 -0.69 0.23 0.00 0.00 176.35 176.12 3jw2 s VAL 177 N -0.51 2.82 0.15 -1.59 1.01 0.62 -0.33 120.40 122.56 3jw2 s VAL 177 Ca 0.12 -0.70 -0.22 0.00 0.00 0.00 0.00 61.98 61.18 3jw2 s VAL 177 Cb -0.12 -2.23 0.08 0.00 0.00 0.00 0.00 36.38 34.12 3jw2 s VAL 177 CO 0.02 0.49 1.06 0.61 0.00 0.00 0.00 175.10 177.28 3jw2 n GLY 178 N 4.40 0.54 2.94 4.51 0.00 -0.76 -0.81 105.19 116.01 3jw2 n GLY 178 Ca -0.19 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 3jw2 n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3jw2 n PRO 179 N -0.75 1.90 -3.56 1.61 -0.04 -1.26 -4.00 135.00 128.89 3jw2 n PRO 179 Ca -0.01 -1.95 -0.34 0.00 -0.04 0.00 0.00 63.50 61.16 3jw2 n PRO 179 Cb 0.58 -2.92 -0.05 0.00 -0.04 0.00 0.00 33.50 31.06 3jw2 n PRO 179 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3jw2 s THR 180 N 4.37 5.08 0.47 0.52 -1.32 -1.26 -4.99 115.64 118.50 3jw2 s THR 180 Ca 0.53 0.41 0.22 0.00 -1.21 0.00 0.00 61.69 61.64 3jw2 s THR 180 Cb 0.14 -3.64 0.26 0.00 -1.51 0.00 0.00 72.50 67.74 3jw2 s THR 180 CO 0.05 0.21 2.08 -0.65 -2.21 0.00 0.00 174.62 174.10 3jw2 h PRO 181 N 3.45 0.00 -2.99 7.08 0.11 -1.98 -3.45 132.00 134.22 3jw2 h PRO 181 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3jw2 h PRO 181 Cb 1.19 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 3jw2 h PRO 181 CO 0.68 0.12 0.02 0.14 -0.21 0.00 0.00 178.00 178.74 3jw2 s VAL 182 N -4.51 0.04 0.13 3.15 -7.23 -1.26 -5.11 120.40 105.61 3jw2 s VAL 182 Ca -0.04 -0.31 -0.31 0.00 -1.81 0.00 0.00 61.98 59.51 3jw2 s VAL 182 Cb 0.15 -1.03 -0.08 0.00 0.56 0.00 0.00 36.38 35.98 3jw2 s VAL 182 CO 0.63 -0.17 1.36 0.20 -0.31 0.00 0.00 175.10 176.81 3jw2 s ASN 183 N -2.30 6.85 -0.12 4.85 0.01 -1.26 -4.79 114.94 118.17 3jw2 s ASN 183 Ca -0.02 2.33 0.02 0.00 -0.71 0.00 0.00 52.86 54.48 3jw2 s ASN 183 Cb -0.00 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.08 3jw2 s ASN 183 CO -0.06 -0.61 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.11 3jw2 s ILE 184 N 0.84 1.68 -0.38 0.60 1.01 0.17 -0.37 121.20 124.76 3jw2 s ILE 184 Ca 0.62 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 60.36 3jw2 s ILE 184 Cb -0.36 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.59 3jw2 s ILE 184 CO 0.32 0.48 0.42 -0.63 0.00 0.00 0.00 174.94 175.53 3jw2 s ILE 185 N 1.00 5.10 0.40 2.92 -1.09 0.32 -1.91 121.20 127.94 3jw2 s ILE 185 Ca -0.05 -0.07 0.06 0.00 -2.23 0.00 0.00 60.65 58.36 3jw2 s ILE 185 Cb -0.15 -3.94 0.06 0.00 -1.58 0.00 0.00 42.46 36.85 3jw2 s ILE 185 CO -0.03 -0.26 0.47 -1.20 -1.23 0.00 0.00 174.94 172.70 3jw2 n SER 186 N 5.55 1.72 -0.28 3.58 7.64 -1.26 -0.63 113.62 129.93 3jw2 n SER 186 Ca -0.08 -2.15 0.19 0.00 1.01 0.00 0.00 58.87 57.85 3jw2 n SER 186 Cb 0.48 -0.21 0.49 0.00 -1.01 0.00 0.00 64.21 63.97 3jw2 n SER 186 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3jw2 h ARG 187 N 0.00 0.43 -0.16 1.43 3.08 -1.47 0.94 114.38 118.63 3jw2 h ARG 187 Ca -0.21 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 59.84 3jw2 h ARG 187 Cb 0.88 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3jw2 h ARG 187 CO 0.31 0.28 0.11 -2.95 -1.07 0.00 0.00 179.97 176.65 3jw2 h ASN 188 N 0.44 0.12 0.00 7.04 -1.07 -1.77 -1.83 115.58 118.52 3jw2 h ASN 188 Ca 0.51 -0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.69 3jw2 h ASN 188 Cb 1.23 -0.03 -0.04 0.00 -2.07 0.00 0.00 38.32 37.42 3jw2 h ASN 188 CO -0.22 0.09 -2.06 0.18 0.07 0.00 0.00 177.43 175.49 3jw2 n LEU 189 N -4.51 0.00 -0.14 6.14 4.77 -0.46 -4.26 117.00 118.54 3jw2 n LEU 189 Ca -0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3jw2 n LEU 189 Cb 0.14 0.26 0.22 0.00 -2.33 0.00 0.00 43.42 41.70 3jw2 n LEU 189 CO 0.35 0.26 1.04 -0.07 -1.33 0.00 0.00 177.39 177.64 3jw2 h LEU 190 N 0.00 0.77 -1.38 2.23 3.38 -0.61 -1.89 115.31 117.82 3jw2 h LEU 190 Ca -0.29 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 3jw2 h LEU 190 Cb 1.60 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 3jw2 h LEU 190 CO 0.02 0.71 -0.17 0.71 0.09 0.00 0.00 178.44 179.79 3jw2 h THR 191 N 0.82 1.19 -0.25 0.22 1.35 -1.54 -1.34 112.91 113.36 3jw2 h THR 191 Ca 0.19 -0.85 -0.14 0.00 -0.55 0.00 0.00 66.41 65.06 3jw2 h THR 191 Cb 0.19 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 3jw2 h THR 191 CO -0.01 0.26 -0.43 1.56 -0.25 0.00 0.00 175.52 176.64 3jw2 h GLN 192 N 0.19 0.62 -0.22 4.72 4.20 -1.53 -2.80 115.11 120.30 3jw2 h GLN 192 Ca 0.04 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.41 3jw2 h GLN 192 Cb 0.42 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3jw2 h GLN 192 CO 0.03 0.94 0.00 0.44 -0.67 0.00 0.00 178.83 179.56 3jw2 n ILE 193 N -4.02 0.28 -2.52 2.54 -5.35 -1.05 -4.92 119.36 104.33 3jw2 n ILE 193 Ca -0.02 -0.33 -0.10 0.00 -0.27 0.00 0.00 62.75 62.03 3jw2 n ILE 193 Cb 0.54 0.21 0.01 0.00 -1.74 0.00 0.00 39.64 38.66 3jw2 n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3jw2 n GLY 194 N 1.00 0.11 3.77 3.28 0.00 -1.05 -5.02 105.19 107.28 3jw2 n GLY 194 Ca 0.12 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 3jw2 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jw2 s ALA 195 N -2.75 3.36 0.08 4.61 0.00 -0.53 -5.03 121.76 121.50 3jw2 s ALA 195 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.53 3jw2 s ALA 195 Cb -0.05 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 3jw2 s ALA 195 CO 0.14 0.25 -0.03 0.95 0.00 0.00 0.00 175.76 177.06 3jw2 s THR 196 N -1.29 0.41 -0.17 0.00 -4.23 -1.26 -4.70 115.64 104.40 3jw2 s THR 196 Ca 0.41 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 58.97 3jw2 s THR 196 Cb -0.23 -1.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 3jw2 s THR 196 CO 0.27 -0.88 0.09 -0.76 -0.54 0.00 0.00 174.62 172.81 3jw2 s LEU 197 N -2.99 4.01 -0.00 4.79 1.43 -1.26 -5.10 118.68 119.56 3jw2 s LEU 197 Ca 0.11 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 3jw2 s LEU 197 Cb 0.07 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 3jw2 s LEU 197 CO -0.06 0.24 -0.09 0.20 0.23 0.00 0.00 176.35 176.86 3jw2 s ASN 198 N 0.00 1.09 0.00 2.29 0.01 -1.26 -5.29 114.94 111.78 3jw2 s ASN 198 Ca 0.07 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 3jw2 s ASN 198 Cb -0.12 -0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.43 3jw2 s ASN 198 CO 0.00 0.10 0.00 2.22 -1.51 0.00 0.00 177.10 177.91