#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dk1 s GLN 102 N 0.00 2.99 -0.26 0.54 0.74 -1.26 -5.10 119.66 117.32 3dk1 s GLN 102 Ca 0.00 -0.89 -0.05 0.00 0.05 0.00 0.00 55.36 54.46 3dk1 s GLN 102 Cb 0.00 -3.12 -0.00 0.00 1.10 0.00 0.00 33.01 30.99 3dk1 s GLN 102 CO 0.00 -0.39 0.02 0.42 -0.55 0.00 0.00 175.29 174.80 3dk1 s ILE 103 N 1.40 3.74 0.86 -2.34 1.01 -1.26 -5.10 121.20 119.52 3dk1 s ILE 103 Ca 0.02 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 60.00 3dk1 s ILE 103 Cb -0.17 -2.81 0.11 0.00 0.01 0.00 0.00 42.46 39.61 3dk1 s ILE 103 CO -0.02 0.26 1.21 0.42 0.00 0.00 0.00 174.94 176.81 3dk1 s THR 104 N 1.50 2.00 -0.12 2.92 -4.23 -1.26 -5.03 115.64 111.42 3dk1 s THR 104 Ca 0.04 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.73 3dk1 s THR 104 Cb -0.16 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 70.97 3dk1 s THR 104 CO 0.00 0.00 1.14 0.18 -0.54 0.00 0.00 174.62 175.40 3dk1 n LEU 105 N -3.47 2.14 0.16 4.79 4.77 -1.26 -4.62 117.00 119.51 3dk1 n LEU 105 Ca 0.10 -2.91 0.02 0.00 -0.03 0.00 0.00 56.01 53.19 3dk1 n LEU 105 Cb 0.60 -0.39 0.35 0.00 -2.33 0.00 0.00 43.42 41.65 3dk1 n LEU 105 CO 0.54 0.67 0.75 -0.50 -1.33 0.00 0.00 177.39 177.53 3dk1 h TRP 106 N 0.01 0.09 -1.83 -1.77 4.06 -2.06 -3.43 115.95 111.02 3dk1 h TRP 106 Ca -0.00 -0.02 -0.60 0.00 2.06 0.00 0.00 58.89 60.33 3dk1 h TRP 106 Cb 1.04 -0.02 -0.12 0.00 -1.00 0.00 0.00 29.16 29.06 3dk1 h TRP 106 CO 0.01 0.40 -0.62 -1.59 -3.56 0.00 0.00 178.44 173.09 3dk1 s LYS 107 N -4.31 2.00 0.26 0.49 -2.85 -1.26 -5.10 119.74 108.98 3dk1 s LYS 107 Ca -0.04 -1.88 -0.31 0.00 -1.00 0.00 0.00 55.97 52.75 3dk1 s LYS 107 Cb 0.14 -1.82 -0.12 0.00 -2.06 0.00 0.00 37.83 33.98 3dk1 s LYS 107 CO 0.73 0.07 1.62 0.54 0.10 0.00 0.00 175.35 178.42 3dk1 n ARG 108 N -0.95 2.69 -2.19 1.78 1.74 -1.26 -4.87 116.66 113.59 3dk1 n ARG 108 Ca -0.04 0.96 -0.43 0.00 -0.77 0.00 0.00 57.85 57.57 3dk1 n ARG 108 Cb 0.64 -2.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.32 3dk1 n ARG 108 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3dk1 n PRO 109 N 2.68 3.05 -3.26 5.56 -0.04 -1.26 -4.93 135.00 136.80 3dk1 n PRO 109 Ca 0.11 -2.98 -0.39 0.00 -0.04 0.00 0.00 63.50 60.20 3dk1 n PRO 109 Cb 0.36 -3.39 -0.06 0.00 -0.04 0.00 0.00 33.50 30.37 3dk1 n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dk1 s LEU 110 N 3.18 4.48 0.17 1.53 1.43 -1.26 -1.11 118.68 127.10 3dk1 s LEU 110 Ca 0.50 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.82 3dk1 s LEU 110 Cb 0.09 -2.89 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 3dk1 s LEU 110 CO -0.00 0.20 0.02 0.68 0.23 0.00 0.00 176.35 177.49 3dk1 s VAL 111 N -0.72 0.55 -0.01 -1.59 -7.23 -0.02 -4.96 120.40 106.42 3dk1 s VAL 111 Ca 0.29 -1.97 -0.23 0.00 -1.81 0.00 0.00 61.98 58.27 3dk1 s VAL 111 Cb -0.19 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 3dk1 s VAL 111 CO 0.18 -0.42 0.67 -0.89 -0.31 0.00 0.00 175.10 174.33 3dk1 s THR 112 N -3.75 4.91 0.27 5.32 2.01 -1.26 -1.03 115.64 122.11 3dk1 s THR 112 Ca 0.25 1.41 0.11 0.00 0.31 0.00 0.00 61.69 63.77 3dk1 s THR 112 Cb 0.06 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 3dk1 s THR 112 CO 0.05 0.35 -0.09 0.27 -0.69 0.00 0.00 174.62 174.50 3dk1 s ILE 113 N 0.18 3.00 -0.09 1.82 -4.36 0.42 -1.18 121.20 120.99 3dk1 s ILE 113 Ca 0.35 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.61 3dk1 s ILE 113 Cb -0.19 -2.60 0.02 0.00 1.25 0.00 0.00 42.46 40.95 3dk1 s ILE 113 CO 0.19 -0.39 -0.08 -0.75 0.24 0.00 0.00 174.94 174.15 3dk1 s LYS 114 N -3.60 1.48 -0.09 0.37 2.20 -0.11 -1.25 119.74 118.75 3dk1 s LYS 114 Ca 0.31 -0.27 -0.05 0.00 -0.36 0.00 0.00 55.97 55.59 3dk1 s LYS 114 Cb -0.06 -1.44 0.04 0.00 -1.51 0.00 0.00 37.83 34.86 3dk1 s LYS 114 CO 0.18 -0.16 0.21 -1.50 -0.36 0.00 0.00 175.35 173.72 3dk1 s ILE 115 N 1.32 -0.03 -1.48 5.43 2.07 -0.48 -1.14 121.20 126.88 3dk1 s ILE 115 Ca -0.03 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 3dk1 s ILE 115 Cb -0.14 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.13 3dk1 s ILE 115 CO -0.04 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 3dk1 n GLY 116 N 3.94 0.56 3.07 1.50 0.00 -1.26 -1.52 105.19 111.49 3dk1 n GLY 116 Ca -0.23 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3dk1 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dk1 n GLY 117 N -1.04 0.78 3.51 -0.02 0.00 -1.26 -5.00 105.19 102.15 3dk1 n GLY 117 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 3dk1 n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dk1 s GLN 118 N -0.20 2.79 0.13 1.61 -1.52 -0.57 -5.10 119.66 116.80 3dk1 s GLN 118 Ca 0.00 -0.62 -0.26 0.00 -1.95 0.00 0.00 55.36 52.53 3dk1 s GLN 118 Cb 0.00 -2.53 -0.07 0.00 -0.22 0.00 0.00 33.01 30.19 3dk1 s GLN 118 CO 0.00 0.56 0.80 -0.51 -0.25 0.00 0.00 175.29 175.90 3dk1 s LEU 119 N -0.56 4.55 0.07 2.90 1.43 -1.26 -1.38 118.68 124.43 3dk1 s LEU 119 Ca 0.08 1.63 -0.01 0.00 -1.03 0.00 0.00 54.13 54.79 3dk1 s LEU 119 Cb -0.12 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 3dk1 s LEU 119 CO 0.02 0.12 0.00 -0.54 0.23 0.00 0.00 176.35 176.18 3dk1 s LYS 120 N -0.72 0.70 -0.04 1.70 1.02 -0.38 -4.99 119.74 117.02 3dk1 s LYS 120 Ca 0.38 -1.26 -0.11 0.00 0.02 0.00 0.00 55.97 55.00 3dk1 s LYS 120 Cb -0.23 0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.26 3dk1 s LYS 120 CO 0.26 -0.15 0.30 -2.00 -0.92 0.00 0.00 175.35 172.84 3dk1 s GLU 121 N -3.95 3.71 0.06 1.68 2.12 -1.26 -0.44 118.70 120.62 3dk1 s GLU 121 Ca 0.11 0.17 -0.09 0.00 0.36 0.00 0.00 54.97 55.52 3dk1 s GLU 121 Cb 0.08 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.28 3dk1 s GLU 121 CO -0.07 0.72 0.19 0.00 -0.54 0.00 0.00 175.26 175.55 3dk1 s ALA 122 N -1.09 -0.29 -0.24 6.30 0.00 -0.20 -4.48 121.76 121.77 3dk1 s ALA 122 Ca 0.21 -0.43 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 3dk1 s ALA 122 Cb -0.15 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 3dk1 s ALA 122 CO 0.10 -0.42 0.20 -1.17 0.00 0.00 0.00 175.76 174.47 3dk1 s LEU 123 N -2.40 4.11 -0.26 0.00 2.96 0.12 -0.84 118.68 122.37 3dk1 s LEU 123 Ca -0.01 0.15 -0.29 0.00 -0.22 0.00 0.00 54.13 53.76 3dk1 s LEU 123 Cb 0.01 -2.16 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 3dk1 s LEU 123 CO -0.07 0.03 1.42 -0.76 -1.32 0.00 0.00 176.35 175.65 3dk1 s LEU 124 N 1.18 3.91 -0.39 -0.68 1.43 -0.27 -0.83 118.68 123.03 3dk1 s LEU 124 Ca 0.09 1.39 0.02 0.00 -1.03 0.00 0.00 54.13 54.60 3dk1 s LEU 124 Cb -0.14 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.66 3dk1 s LEU 124 CO 0.06 -1.12 0.16 -0.62 0.23 0.00 0.00 176.35 175.05 3dk1 s ASP 125 N 3.27 4.08 0.36 2.29 -1.08 -0.16 -4.78 116.67 120.65 3dk1 s ASP 125 Ca 0.62 -2.26 0.27 0.00 -0.52 0.00 0.00 52.55 50.65 3dk1 s ASP 125 Cb -0.20 -1.18 1.12 0.00 -1.46 0.00 0.00 42.92 41.20 3dk1 s ASP 125 CO 0.25 -0.33 1.81 0.71 0.52 0.00 0.00 175.17 178.12 3dk1 h THR 126 N 5.95 0.00 -0.01 1.71 1.35 -1.93 -2.12 112.91 117.86 3dk1 h THR 126 Ca -0.06 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3dk1 h THR 126 Cb 0.97 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3dk1 h THR 126 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3dk1 n GLY 127 N -0.00 -0.65 3.49 5.82 0.00 -1.26 -4.80 105.19 107.78 3dk1 n GLY 127 Ca 0.02 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3dk1 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk1 s ALA 128 N -1.99 3.15 0.26 4.61 0.00 -0.80 -4.99 121.76 122.00 3dk1 s ALA 128 Ca 0.42 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.43 3dk1 s ALA 128 Cb 0.20 -1.89 0.33 0.00 0.00 0.00 0.00 23.12 21.77 3dk1 s ALA 128 CO 0.34 -0.17 1.65 -0.44 0.00 0.00 0.00 175.76 177.14 3dk1 h ASP 129 N 7.51 0.46 -3.72 0.00 3.32 -1.87 0.93 116.42 123.06 3dk1 h ASP 129 Ca -0.36 -0.19 -0.41 0.00 0.02 0.00 0.00 57.03 56.09 3dk1 h ASP 129 Cb 1.18 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.46 3dk1 h ASP 129 CO 0.62 0.80 -0.64 -1.81 -1.72 0.00 0.00 179.24 176.49 3dk1 s ASP 130 N -6.85 1.96 -0.17 6.45 1.01 -1.26 -2.22 116.67 115.59 3dk1 s ASP 130 Ca -0.06 -1.27 -0.17 0.00 0.71 0.00 0.00 52.55 51.76 3dk1 s ASP 130 Cb 0.13 -0.01 -0.04 0.00 1.01 0.00 0.00 42.92 44.01 3dk1 s ASP 130 CO 0.80 -0.55 0.42 -0.89 0.21 0.00 0.00 175.17 175.16 3dk1 s THR 131 N -3.40 5.20 -0.09 -1.27 2.01 -1.26 -3.61 115.64 113.22 3dk1 s THR 131 Ca 0.32 0.79 0.01 0.00 0.31 0.00 0.00 61.69 63.11 3dk1 s THR 131 Cb 0.07 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.84 3dk1 s THR 131 CO 0.11 0.28 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.54 3dk1 s VAL 132 N 1.04 1.05 0.12 3.82 1.01 -0.37 -1.05 120.40 126.03 3dk1 s VAL 132 Ca 0.21 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.90 3dk1 s VAL 132 Cb -0.15 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3dk1 s VAL 132 CO 0.08 0.36 -0.15 0.27 0.00 0.00 0.00 175.10 175.67 3dk1 s ILE 133 N 1.32 1.37 0.84 2.22 -4.36 0.31 -0.67 121.20 122.23 3dk1 s ILE 133 Ca -0.02 -1.70 -0.11 0.00 -0.26 0.00 0.00 60.65 58.55 3dk1 s ILE 133 Cb -0.14 -1.53 0.10 0.00 1.25 0.00 0.00 42.46 42.14 3dk1 s ILE 133 CO -0.04 -0.38 1.14 -1.61 0.24 0.00 0.00 174.94 174.29 3dk1 s GLU 134 N -2.59 1.59 -0.13 0.37 0.41 -1.26 -1.56 118.70 115.54 3dk1 s GLU 134 Ca 0.09 1.50 -0.41 0.00 -0.41 0.00 0.00 54.97 55.73 3dk1 s GLU 134 Cb -0.05 -1.80 -0.19 0.00 -1.78 0.00 0.00 34.13 30.31 3dk1 s GLU 134 CO 0.03 -2.19 1.35 -1.91 -0.49 0.00 0.00 175.26 172.05 3dk1 n GLU 135 N -3.71 0.45 -3.71 1.61 4.07 -1.26 -4.68 120.64 113.41 3dk1 n GLU 135 Ca 0.11 0.16 -0.07 0.00 -0.06 0.00 0.00 57.16 57.30 3dk1 n GLU 135 Cb 0.52 -1.72 -0.02 0.00 -0.06 0.00 0.00 31.44 30.16 3dk1 n GLU 135 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3dk1 s MET 136 N 1.27 1.46 -0.15 5.31 0.23 -1.26 -5.07 119.30 121.10 3dk1 s MET 136 Ca 0.93 -0.74 -0.21 0.00 -1.03 0.00 0.00 55.69 54.64 3dk1 s MET 136 Cb -1.21 0.54 -0.03 0.00 -1.53 0.00 0.00 34.83 32.60 3dk1 s MET 136 CO 0.61 -0.66 0.62 -1.12 -2.03 0.00 0.00 175.02 172.44 3dk1 s SER 137 N -2.85 6.76 0.12 -1.18 0.01 -1.26 -5.08 113.70 110.22 3dk1 s SER 137 Ca 0.09 0.92 0.08 0.00 1.31 0.00 0.00 55.95 58.34 3dk1 s SER 137 Cb -0.03 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 3dk1 s SER 137 CO 0.00 -0.18 -0.19 -0.76 0.41 0.00 0.00 173.24 172.52 3dk1 s LEU 138 N 1.38 2.35 0.60 2.44 1.43 -1.26 -4.95 118.68 120.66 3dk1 s LEU 138 Ca 0.30 -0.74 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 3dk1 s LEU 138 Cb -0.16 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 3dk1 s LEU 138 CO 0.12 -0.00 1.04 -2.16 0.23 0.00 0.00 176.35 175.58 3dk1 s PRO 139 N -2.21 3.44 0.50 1.29 0.04 -1.26 -4.95 135.00 131.86 3dk1 s PRO 139 Ca 0.08 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.15 3dk1 s PRO 139 Cb -0.08 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3dk1 s PRO 139 CO 0.05 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.79 3dk1 n GLY 140 N -1.59 -1.87 3.88 0.56 0.00 -1.26 -4.94 105.19 99.97 3dk1 n GLY 140 Ca 0.08 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 3dk1 n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dk1 s ARG 141 N 0.00 3.73 0.23 1.61 0.52 -1.26 -5.10 118.95 118.68 3dk1 s ARG 141 Ca 0.00 0.35 0.08 0.00 -0.52 0.00 0.00 55.73 55.64 3dk1 s ARG 141 Cb 0.00 -2.44 -0.05 0.00 0.52 0.00 0.00 34.95 32.98 3dk1 s ARG 141 CO 0.00 0.00 -0.13 1.67 0.02 0.00 0.00 175.30 176.87 3dk1 s TRP 142 N -2.34 1.85 0.18 -0.53 1.48 -1.26 -4.58 118.94 113.74 3dk1 s TRP 142 Ca 0.49 -0.57 0.09 0.00 -1.06 0.00 0.00 56.10 55.05 3dk1 s TRP 142 Cb -0.10 -0.90 -0.04 0.00 -1.16 0.00 0.00 33.47 31.26 3dk1 s TRP 142 CO 0.32 0.39 -0.18 0.15 -4.06 0.00 0.00 176.95 173.57 3dk1 s LYS 143 N -3.65 1.33 0.39 3.25 1.02 -0.35 -4.91 119.74 116.82 3dk1 s LYS 143 Ca 0.25 -1.48 -0.18 0.00 0.02 0.00 0.00 55.97 54.58 3dk1 s LYS 143 Cb -0.00 -1.35 -0.10 0.00 -0.52 0.00 0.00 37.83 35.86 3dk1 s LYS 143 CO 0.09 0.26 0.87 -1.25 -0.92 0.00 0.00 175.35 174.41 3dk1 s PRO 144 N -3.03 4.13 -0.12 -1.68 0.04 -1.26 -0.61 135.00 132.48 3dk1 s PRO 144 Ca 0.19 0.94 -0.14 0.00 0.04 0.00 0.00 61.00 62.02 3dk1 s PRO 144 Cb -0.05 -2.27 0.04 0.00 0.04 0.00 0.00 34.50 32.26 3dk1 s PRO 144 CO 0.08 0.03 0.38 0.21 0.04 0.00 0.00 177.00 177.74 3dk1 s LYS 145 N -3.15 0.52 -0.18 4.56 2.20 -1.11 -4.84 119.74 117.74 3dk1 s LYS 145 Ca 0.59 0.38 -0.06 0.00 -0.36 0.00 0.00 55.97 56.52 3dk1 s LYS 145 Cb -0.09 0.25 -0.03 0.00 -1.51 0.00 0.00 37.83 36.44 3dk1 s LYS 145 CO 0.15 -0.09 0.02 1.41 -0.36 0.00 0.00 175.35 176.48 3dk1 s MET 146 N -0.16 3.80 0.04 4.03 -2.45 -1.26 -0.85 119.30 122.46 3dk1 s MET 146 Ca -0.03 -0.44 0.06 0.00 -1.25 0.00 0.00 55.69 54.03 3dk1 s MET 146 Cb -0.03 -3.09 -0.02 0.00 1.25 0.00 0.00 34.83 32.93 3dk1 s MET 146 CO 0.02 0.20 -0.17 0.96 1.05 0.00 0.00 175.02 177.08 3dk1 s ILE 147 N 0.51 1.36 -0.29 10.11 -4.36 -0.40 -4.95 121.20 123.17 3dk1 s ILE 147 Ca 0.00 -1.08 -0.05 0.00 -0.26 0.00 0.00 60.65 59.27 3dk1 s ILE 147 Cb -0.13 -1.20 0.02 0.00 1.25 0.00 0.00 42.46 42.40 3dk1 s ILE 147 CO 0.02 0.10 0.04 -0.83 0.24 0.00 0.00 174.94 174.50 3dk1 s GLY 148 N -1.14 1.75 0.00 6.27 0.00 -1.26 -1.01 107.32 111.94 3dk1 s GLY 148 Ca 0.04 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.21 3dk1 s GLY 148 CO 0.01 0.64 0.00 0.61 0.00 0.00 0.00 173.10 174.37 3dk1 n GLY 149 N 4.77 3.39 0.24 0.20 0.00 -0.27 -4.96 105.19 108.56 3dk1 n GLY 149 Ca -0.14 -2.06 0.03 0.00 0.00 0.00 0.00 46.02 43.85 3dk1 n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dk1 h ILE 150 N 0.05 1.15 -0.02 -0.61 2.10 -2.03 -2.75 117.51 115.40 3dk1 h ILE 150 Ca 0.00 -0.67 0.00 0.00 1.08 0.00 0.00 64.86 65.27 3dk1 h ILE 150 Cb 0.00 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 3dk1 h ILE 150 CO 0.00 0.21 -0.32 0.61 -1.08 0.00 0.00 178.15 177.57 3dk1 n GLY 151 N -0.98 0.24 0.00 8.18 0.00 -1.26 -5.06 105.19 106.31 3dk1 n GLY 151 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3dk1 n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dk1 n GLY 152 N 1.39 0.94 3.86 -0.02 0.00 -1.04 -5.11 105.19 105.21 3dk1 n GLY 152 Ca 0.11 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.81 3dk1 n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dk1 s PHE 153 N -1.64 3.63 0.05 1.61 0.40 -1.26 -1.12 117.98 119.65 3dk1 s PHE 153 Ca 0.00 0.77 0.01 0.00 -0.60 0.00 0.00 56.93 57.11 3dk1 s PHE 153 Cb 0.00 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 3dk1 s PHE 153 CO 0.00 0.62 -0.05 0.96 0.70 0.00 0.00 175.22 177.44 3dk1 s ILE 154 N -1.22 0.40 0.07 0.64 -4.36 -0.18 -4.97 121.20 111.59 3dk1 s ILE 154 Ca 0.26 -1.29 -0.25 0.00 -0.26 0.00 0.00 60.65 59.11 3dk1 s ILE 154 Cb -0.14 -0.84 -0.06 0.00 1.25 0.00 0.00 42.46 42.67 3dk1 s ILE 154 CO 0.14 -0.60 0.75 -0.54 0.24 0.00 0.00 174.94 174.93 3dk1 s LYS 155 N -2.30 4.49 0.24 0.37 1.02 -1.26 -1.27 119.74 121.02 3dk1 s LYS 155 Ca -0.05 1.06 0.02 0.00 0.02 0.00 0.00 55.97 57.02 3dk1 s LYS 155 Cb -0.05 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.88 3dk1 s LYS 155 CO -0.02 0.37 0.05 0.14 -0.92 0.00 0.00 175.35 174.97 3dk1 s VAL 156 N -0.38 0.74 -0.26 3.17 -7.23 -0.03 -4.74 120.40 111.68 3dk1 s VAL 156 Ca 0.37 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.43 3dk1 s VAL 156 Cb -0.21 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 3dk1 s VAL 156 CO 0.23 -0.18 0.17 -0.13 -0.31 0.00 0.00 175.10 174.88 3dk1 s ARG 157 N -3.96 3.99 -0.32 4.82 0.52 -0.46 -2.74 118.95 120.79 3dk1 s ARG 157 Ca 0.33 -0.31 -0.14 0.00 -0.52 0.00 0.00 55.73 55.09 3dk1 s ARG 157 Cb 0.07 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.94 3dk1 s ARG 157 CO 0.11 -0.06 0.32 -1.14 0.02 0.00 0.00 175.30 174.55 3dk1 s GLN 158 N 1.40 3.68 -0.20 3.54 0.74 0.23 -0.64 119.66 128.41 3dk1 s GLN 158 Ca 0.07 -0.36 -0.05 0.00 0.05 0.00 0.00 55.36 55.07 3dk1 s GLN 158 Cb -0.15 -3.76 -0.02 0.00 1.10 0.00 0.00 33.01 30.18 3dk1 s GLN 158 CO 0.07 -0.43 -0.00 0.71 -0.55 0.00 0.00 175.29 175.09 3dk1 s TYR 159 N 1.95 3.04 0.16 1.67 1.51 -0.38 -1.21 117.35 124.09 3dk1 s TYR 159 Ca 0.11 -0.47 -0.00 0.00 -1.01 0.00 0.00 57.07 55.70 3dk1 s TYR 159 Cb -0.16 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 3dk1 s TYR 159 CO 0.11 -0.24 0.34 -0.51 -1.11 0.00 0.00 175.55 174.14 3dk1 s ASP 160 N 1.00 6.38 -1.22 2.29 1.01 -1.26 -0.74 116.67 124.13 3dk1 s ASP 160 Ca 0.02 0.35 -0.03 0.00 0.71 0.00 0.00 52.55 53.59 3dk1 s ASP 160 Cb -0.14 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.80 3dk1 s ASP 160 CO 0.02 0.02 1.04 1.67 0.21 0.00 0.00 175.17 178.13 3dk1 n GLN 161 N -0.41 -6.94 -3.60 8.23 7.27 -1.09 -4.90 117.38 115.94 3dk1 n GLN 161 Ca -0.05 0.81 -0.36 0.00 0.07 0.00 0.00 57.00 57.47 3dk1 n GLN 161 Cb 0.53 -5.76 -0.07 0.00 2.41 0.00 0.00 30.24 27.35 3dk1 n GLN 161 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3dk1 s ILE 162 N -3.33 5.32 -0.05 1.69 -1.09 -0.08 -4.69 121.20 118.96 3dk1 s ILE 162 Ca 0.23 0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 58.82 3dk1 s ILE 162 Cb -0.10 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 3dk1 s ILE 162 CO 0.71 0.44 1.16 -0.63 -1.23 0.00 0.00 174.94 175.38 3dk1 s ILE 163 N 0.16 4.35 -0.12 2.92 1.01 -1.26 -1.27 121.20 126.98 3dk1 s ILE 163 Ca 0.15 1.67 -0.08 0.00 0.00 0.00 0.00 60.65 62.40 3dk1 s ILE 163 Cb -0.13 -4.07 0.05 0.00 0.01 0.00 0.00 42.46 38.32 3dk1 s ILE 163 CO 0.04 0.02 0.30 -0.51 0.00 0.00 0.00 174.94 174.79 3dk1 s ILE 164 N 2.02 -0.03 -0.14 2.92 2.07 -0.17 -4.47 121.20 123.40 3dk1 s ILE 164 Ca 0.55 0.10 -0.10 0.00 -1.41 0.00 0.00 60.65 59.79 3dk1 s ILE 164 Cb -0.24 -0.45 -0.05 0.00 0.13 0.00 0.00 42.46 41.85 3dk1 s ILE 164 CO 0.22 0.04 0.19 -0.70 -1.91 0.00 0.00 174.94 172.78 3dk1 s GLU 165 N 1.05 3.88 -0.22 3.50 2.12 -0.30 -0.75 118.70 127.98 3dk1 s GLU 165 Ca -0.07 -0.06 -0.00 0.00 0.36 0.00 0.00 54.97 55.19 3dk1 s GLU 165 Cb -0.08 -3.31 0.06 0.00 0.26 0.00 0.00 34.13 31.06 3dk1 s GLU 165 CO -0.08 0.52 -0.04 0.42 -0.54 0.00 0.00 175.26 175.54 3dk1 s ILE 166 N -0.31 1.32 -1.52 -3.70 1.01 0.35 -0.93 121.20 117.41 3dk1 s ILE 166 Ca 0.14 -1.02 -0.13 0.00 0.00 0.00 0.00 60.65 59.63 3dk1 s ILE 166 Cb -0.12 -1.60 0.08 0.00 0.01 0.00 0.00 42.46 40.83 3dk1 s ILE 166 CO 0.03 -0.07 0.90 0.00 0.00 0.00 0.00 174.94 175.80 3dk1 n ALA 167 N 4.76 -1.23 -0.02 9.38 0.00 -0.33 -0.90 120.51 132.17 3dk1 n ALA 167 Ca -0.12 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3dk1 n ALA 167 Cb 0.45 -4.23 0.00 0.00 0.00 0.00 0.00 19.45 15.67 3dk1 n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dk1 n GLY 168 N -1.61 2.09 3.77 0.00 0.00 -1.26 -5.03 105.19 103.16 3dk1 n GLY 168 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3dk1 n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dk1 s HIS 169 N -2.73 3.54 -0.00 1.61 4.02 -0.08 -5.06 115.29 116.58 3dk1 s HIS 169 Ca 0.00 0.68 -0.29 0.00 1.02 0.00 0.00 55.06 56.47 3dk1 s HIS 169 Cb 0.00 -2.28 -0.03 0.00 -1.02 0.00 0.00 32.58 29.24 3dk1 s HIS 169 CO 0.00 0.39 0.92 0.15 1.02 0.00 0.00 174.74 177.22 3dk1 s LYS 170 N -0.06 4.54 0.11 1.40 -0.14 -1.26 -0.50 119.74 123.83 3dk1 s LYS 170 Ca 0.18 1.30 0.04 0.00 -1.36 0.00 0.00 55.97 56.14 3dk1 s LYS 170 Cb -0.14 -3.45 -0.04 0.00 -1.68 0.00 0.00 37.83 32.53 3dk1 s LYS 170 CO 0.06 0.00 -0.11 0.00 -0.76 0.00 0.00 175.35 174.54 3dk1 s ALA 171 N 0.85 1.24 -0.15 5.17 0.00 0.07 -4.81 121.76 124.13 3dk1 s ALA 171 Ca 0.48 -1.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 3dk1 s ALA 171 Cb -0.21 -0.01 0.06 0.00 0.00 0.00 0.00 23.12 22.97 3dk1 s ALA 171 CO 0.26 0.01 0.13 0.42 0.00 0.00 0.00 175.76 176.58 3dk1 s ILE 172 N -2.33 -0.17 0.00 0.00 1.01 -1.26 -0.99 121.20 117.46 3dk1 s ILE 172 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3dk1 s ILE 172 Cb -0.04 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.92 3dk1 s ILE 172 CO 0.01 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.40 3dk1 n GLY 173 N 5.30 1.23 3.72 6.18 0.00 -0.39 -4.78 105.19 116.45 3dk1 n GLY 173 Ca -0.06 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 3dk1 n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dk1 s THR 174 N -2.25 4.74 -0.11 2.61 2.01 -1.26 -0.91 115.64 120.48 3dk1 s THR 174 Ca 0.00 1.88 0.03 0.00 0.31 0.00 0.00 61.69 63.91 3dk1 s THR 174 Cb 0.00 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.28 3dk1 s THR 174 CO 0.00 0.27 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.32 3dk1 s VAL 175 N 0.41 1.74 -0.12 3.82 1.01 0.08 -4.52 120.40 122.82 3dk1 s VAL 175 Ca 0.45 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 3dk1 s VAL 175 Cb -0.21 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 3dk1 s VAL 175 CO 0.26 0.49 0.34 -0.76 0.00 0.00 0.00 175.10 175.43 3dk1 s LEU 176 N 0.69 4.30 -0.17 3.92 1.43 -0.22 -1.25 118.68 127.38 3dk1 s LEU 176 Ca -0.12 0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 53.61 3dk1 s LEU 176 Cb -0.16 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 3dk1 s LEU 176 CO 0.03 0.15 -0.09 -0.69 0.23 0.00 0.00 176.35 175.97 3dk1 s VAL 177 N 0.09 3.16 -0.95 -1.59 1.01 0.19 -0.53 120.40 121.78 3dk1 s VAL 177 Ca 0.19 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3dk1 s VAL 177 Cb -0.14 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.86 3dk1 s VAL 177 CO 0.07 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3dk1 n GLY 178 N 4.17 -1.36 2.29 4.51 0.00 -0.60 -1.36 105.19 112.83 3dk1 n GLY 178 Ca -0.18 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 3dk1 n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dk1 n PRO 179 N -0.10 3.23 -2.17 1.61 -0.04 -1.26 -4.03 135.00 132.23 3dk1 n PRO 179 Ca 0.00 -2.16 -0.36 0.00 -0.04 0.00 0.00 63.50 60.93 3dk1 n PRO 179 Cb 0.00 -2.45 0.01 0.00 -0.04 0.00 0.00 33.50 31.02 3dk1 n PRO 179 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3dk1 s THR 180 N 0.47 2.94 -0.58 0.52 -1.32 -1.26 -4.94 115.64 111.47 3dk1 s THR 180 Ca 0.64 0.64 0.25 0.00 -1.21 0.00 0.00 61.69 62.01 3dk1 s THR 180 Cb 0.25 -3.29 0.28 0.00 -1.51 0.00 0.00 72.50 68.23 3dk1 s THR 180 CO -0.08 -0.08 1.64 -0.65 -2.21 0.00 0.00 174.62 173.25 3dk1 h PRO 181 N 1.47 0.00 -2.59 7.08 0.11 -1.96 -3.44 132.00 132.66 3dk1 h PRO 181 Ca -0.50 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 3dk1 h PRO 181 Cb 1.27 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.15 3dk1 h PRO 181 CO 0.58 0.00 -0.15 0.54 -0.21 0.00 0.00 178.00 178.76 3dk1 s VAL 182 N -3.16 0.00 0.15 3.15 0.11 -1.26 -5.10 120.40 114.30 3dk1 s VAL 182 Ca 0.08 -0.04 -0.31 0.00 -2.93 0.00 0.00 61.98 58.78 3dk1 s VAL 182 Cb 0.09 -0.68 -0.09 0.00 -1.53 0.00 0.00 36.38 34.17 3dk1 s VAL 182 CO 0.64 -0.02 1.48 0.20 -3.33 0.00 0.00 175.10 174.07 3dk1 s ASN 183 N 0.05 6.70 -0.15 3.54 0.01 -1.26 -4.85 114.94 118.97 3dk1 s ASN 183 Ca -0.02 2.49 0.01 0.00 -0.71 0.00 0.00 52.86 54.64 3dk1 s ASN 183 Cb -0.03 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.04 3dk1 s ASN 183 CO 0.01 -0.74 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.06 3dk1 s ILE 184 N 1.02 2.47 -0.40 0.60 1.01 0.16 -0.70 121.20 125.35 3dk1 s ILE 184 Ca 0.67 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 60.31 3dk1 s ILE 184 Cb -0.41 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.05 3dk1 s ILE 184 CO 0.32 0.52 0.41 -0.63 0.00 0.00 0.00 174.94 175.57 3dk1 s ILE 185 N 0.85 5.11 0.41 2.92 -1.09 -0.01 -1.23 121.20 128.16 3dk1 s ILE 185 Ca -0.05 -0.29 0.03 0.00 -2.23 0.00 0.00 60.65 58.11 3dk1 s ILE 185 Cb -0.15 -3.99 0.08 0.00 -1.58 0.00 0.00 42.46 36.82 3dk1 s ILE 185 CO -0.01 -0.35 0.57 0.61 -1.23 0.00 0.00 174.94 174.53 3dk1 n GLY 186 N 5.08 1.25 0.25 6.18 0.00 -1.24 -0.98 105.19 115.73 3dk1 n GLY 186 Ca -0.08 -2.08 0.10 0.00 0.00 0.00 0.00 46.02 43.96 3dk1 n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dk1 h ARG 187 N 0.00 0.00 -0.37 1.61 3.08 -0.71 -0.50 114.38 117.49 3dk1 h ARG 187 Ca -0.19 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.89 3dk1 h ARG 187 Cb 0.77 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 3dk1 h ARG 187 CO 0.23 0.14 0.25 -2.95 -1.07 0.00 0.00 179.97 176.57 3dk1 h ASN 188 N 0.00 0.33 0.00 7.04 -1.07 -1.71 -1.46 115.58 118.71 3dk1 h ASN 188 Ca -0.00 -0.00 -0.22 0.00 0.07 0.00 0.00 56.30 56.15 3dk1 h ASN 188 Cb 0.33 -0.08 -0.04 0.00 -2.07 0.00 0.00 38.32 36.46 3dk1 h ASN 188 CO 0.02 0.23 -2.19 0.18 0.07 0.00 0.00 177.43 175.74 3dk1 n LEU 189 N -4.48 0.00 -0.09 6.14 4.77 -0.66 -4.10 117.00 118.57 3dk1 n LEU 189 Ca 0.04 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.03 3dk1 n LEU 189 Cb 0.16 0.29 0.32 0.00 -2.33 0.00 0.00 43.42 41.86 3dk1 n LEU 189 CO 0.35 0.29 1.14 -0.07 -1.33 0.00 0.00 177.39 177.77 3dk1 h LEU 190 N 0.00 0.65 -0.98 2.23 3.38 -0.91 -1.48 115.31 118.19 3dk1 h LEU 190 Ca -0.32 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 3dk1 h LEU 190 Cb 1.72 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 3dk1 h LEU 190 CO 0.02 0.51 -0.13 0.71 0.09 0.00 0.00 178.44 179.64 3dk1 h THR 191 N 0.74 1.24 0.00 0.22 1.35 -1.45 -1.14 112.91 113.87 3dk1 h THR 191 Ca 0.19 -1.10 -0.07 0.00 -0.55 0.00 0.00 66.41 64.88 3dk1 h THR 191 Cb 0.00 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 3dk1 h THR 191 CO -0.03 0.36 -0.35 1.56 -0.25 0.00 0.00 175.52 176.81 3dk1 h GLN 192 N 0.54 0.00 -0.29 4.72 4.20 -1.43 -2.13 115.11 120.71 3dk1 h GLN 192 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3dk1 h GLN 192 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3dk1 h GLN 192 CO 0.03 0.35 0.00 0.44 -0.67 0.00 0.00 178.83 178.98 3dk1 n ILE 193 N -3.97 0.37 -1.32 2.54 -5.35 -0.97 -4.94 119.36 105.72 3dk1 n ILE 193 Ca -0.02 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 3dk1 n ILE 193 Cb 0.40 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 3dk1 n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dk1 n GLY 194 N 1.29 0.40 3.76 3.28 0.00 -0.80 -5.03 105.19 108.09 3dk1 n GLY 194 Ca 0.17 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 3dk1 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dk1 s ALA 195 N -2.00 3.28 0.13 4.61 0.00 -0.46 -5.03 121.76 122.29 3dk1 s ALA 195 Ca 0.00 0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.62 3dk1 s ALA 195 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3dk1 s ALA 195 CO 0.00 0.13 -0.09 0.95 0.00 0.00 0.00 175.76 176.75 3dk1 s THR 196 N -1.37 1.00 -0.08 0.00 -4.23 -1.26 -4.71 115.64 104.99 3dk1 s THR 196 Ca 0.46 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.88 3dk1 s THR 196 Cb -0.24 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.79 3dk1 s THR 196 CO 0.30 -0.78 0.23 -0.22 -0.54 0.00 0.00 174.62 173.61 3dk1 s LEU 197 N -3.08 4.41 -0.01 4.79 2.96 -1.26 -5.09 118.68 121.39 3dk1 s LEU 197 Ca 0.14 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 54.69 3dk1 s LEU 197 Cb 0.03 -2.24 0.01 0.00 0.50 0.00 0.00 46.19 44.48 3dk1 s LEU 197 CO -0.01 0.37 -0.03 0.20 -1.32 0.00 0.00 176.35 175.56 3dk1 s ASN 198 N -0.99 0.52 0.00 3.68 0.01 -1.26 -5.29 114.94 111.61 3dk1 s ASN 198 Ca 0.18 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 3dk1 s ASN 198 Cb -0.14 -0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.39 3dk1 s ASN 198 CO 0.07 0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.89