#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1t s GLN 102 N 0.00 3.94 -0.18 0.54 0.74 -1.26 -5.10 119.66 118.34 1k1t s GLN 102 Ca 0.00 -0.35 0.01 0.00 0.05 0.00 0.00 55.36 55.07 1k1t s GLN 102 Cb 0.00 -3.35 0.02 0.00 1.10 0.00 0.00 33.01 30.78 1k1t s GLN 102 CO 0.00 0.11 -0.19 0.42 -0.55 0.00 0.00 175.29 175.08 1k1t s ILE 103 N 0.85 2.18 0.84 -2.34 1.01 -1.26 -5.13 121.20 117.35 1k1t s ILE 103 Ca 0.05 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 1k1t s ILE 103 Cb -0.13 -1.92 0.13 0.00 0.01 0.00 0.00 42.46 40.54 1k1t s ILE 103 CO 0.03 0.53 1.19 0.42 0.00 0.00 0.00 174.94 177.11 1k1t s THR 104 N 1.29 2.06 -0.12 2.92 -4.23 -1.26 -5.02 115.64 111.28 1k1t s THR 104 Ca 0.05 -0.10 0.17 0.00 -1.18 0.00 0.00 61.69 60.63 1k1t s THR 104 Cb -0.13 -2.96 0.28 0.00 1.34 0.00 0.00 72.50 71.02 1k1t s THR 104 CO -0.12 0.00 1.14 0.18 -0.54 0.00 0.00 174.62 175.29 1k1t n LEU 105 N -3.38 2.15 0.24 4.79 4.77 -1.26 -4.58 117.00 119.74 1k1t n LEU 105 Ca 0.11 -2.97 0.11 0.00 -0.03 0.00 0.00 56.01 53.23 1k1t n LEU 105 Cb 0.60 -0.40 0.62 0.00 -2.33 0.00 0.00 43.42 41.92 1k1t n LEU 105 CO 0.51 0.74 0.91 -0.50 -1.33 0.00 0.00 177.39 177.71 1k1t h TRP 106 N 0.11 0.00 -2.17 -1.77 4.06 -2.07 -3.43 115.95 110.69 1k1t h TRP 106 Ca -0.00 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 1k1t h TRP 106 Cb 1.05 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.07 1k1t h TRP 106 CO 0.09 0.17 -0.67 -1.59 -3.56 0.00 0.00 178.44 172.88 1k1t s LYS 107 N -4.12 1.74 0.28 0.49 -2.85 -1.26 -5.10 119.74 108.91 1k1t s LYS 107 Ca -0.02 -1.91 -0.30 0.00 -1.00 0.00 0.00 55.97 52.74 1k1t s LYS 107 Cb 0.13 -1.49 -0.13 0.00 -2.06 0.00 0.00 37.83 34.28 1k1t s LYS 107 CO 0.62 0.07 1.34 0.54 0.10 0.00 0.00 175.35 178.03 1k1t n ARG 108 N -0.74 2.02 -2.41 1.78 1.74 -1.26 -4.86 116.66 112.93 1k1t n ARG 108 Ca -0.05 0.72 -0.43 0.00 -0.77 0.00 0.00 57.85 57.32 1k1t n ARG 108 Cb 0.64 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 1k1t n ARG 108 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1k1t n PRO 109 N 1.47 3.15 -3.21 5.56 -0.04 -1.26 -4.94 135.00 135.73 1k1t n PRO 109 Ca 0.09 -3.19 -0.39 0.00 -0.04 0.00 0.00 63.50 59.97 1k1t n PRO 109 Cb 0.33 -3.38 -0.06 0.00 -0.04 0.00 0.00 33.50 30.35 1k1t n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1k1t s LEU 110 N 3.31 4.41 0.20 1.53 1.43 -1.26 -0.95 118.68 127.34 1k1t s LEU 110 Ca 0.51 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.77 1k1t s LEU 110 Cb 0.06 -2.91 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 1k1t s LEU 110 CO 0.03 0.09 0.02 0.68 0.23 0.00 0.00 176.35 177.40 1k1t s VAL 111 N -0.13 0.72 0.05 -1.59 -7.23 -0.20 -4.95 120.40 107.06 1k1t s VAL 111 Ca 0.31 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.30 1k1t s VAL 111 Cb -0.18 -2.24 -0.06 0.00 0.56 0.00 0.00 36.38 34.45 1k1t s VAL 111 CO 0.17 -0.37 0.52 -0.89 -0.31 0.00 0.00 175.10 174.22 1k1t s THR 112 N -3.63 4.84 0.24 5.32 2.01 -1.26 -1.00 115.64 122.16 1k1t s THR 112 Ca 0.27 1.10 0.10 0.00 0.31 0.00 0.00 61.69 63.47 1k1t s THR 112 Cb 0.06 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 1k1t s THR 112 CO 0.06 0.56 -0.18 0.27 -0.69 0.00 0.00 174.62 174.64 1k1t s ILE 113 N -1.06 2.18 -0.10 1.82 -4.36 0.33 -1.07 121.20 118.94 1k1t s ILE 113 Ca 0.27 -2.29 0.03 0.00 -0.26 0.00 0.00 60.65 58.40 1k1t s ILE 113 Cb -0.19 -2.17 0.01 0.00 1.25 0.00 0.00 42.46 41.36 1k1t s ILE 113 CO 0.17 -0.44 -0.18 -0.75 0.24 0.00 0.00 174.94 173.98 1k1t s LYS 114 N -3.46 2.43 -0.05 0.37 2.20 -0.11 -1.13 119.74 119.99 1k1t s LYS 114 Ca 0.26 -0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 55.19 1k1t s LYS 114 Cb -0.04 -1.96 0.03 0.00 -1.51 0.00 0.00 37.83 34.35 1k1t s LYS 114 CO 0.11 0.03 0.11 -1.50 -0.36 0.00 0.00 175.35 173.74 1k1t s ILE 115 N 0.71 -0.04 -2.05 5.43 2.07 -0.19 -1.45 121.20 125.69 1k1t s ILE 115 Ca -0.12 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 1k1t s ILE 115 Cb -0.16 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.25 1k1t s ILE 115 CO 0.02 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 1k1t n GLY 116 N 3.86 1.34 2.69 1.50 0.00 -1.26 -1.06 105.19 112.26 1k1t n GLY 116 Ca -0.23 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1k1t n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1t n GLY 117 N -0.61 0.73 3.65 -0.02 0.00 -1.26 -4.95 105.19 102.72 1k1t n GLY 117 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1k1t n GLY 117 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k1t s GLN 118 N -0.13 3.31 0.22 1.61 0.74 -0.22 -5.08 119.66 120.11 1k1t s GLN 118 Ca 0.00 -0.40 -0.30 0.00 0.05 0.00 0.00 55.36 54.71 1k1t s GLN 118 Cb 0.00 -2.91 -0.09 0.00 1.10 0.00 0.00 33.01 31.12 1k1t s GLN 118 CO 0.00 0.55 0.96 -0.51 -0.55 0.00 0.00 175.29 175.73 1k1t s LEU 119 N -0.44 4.62 0.17 3.68 1.43 -1.26 -1.02 118.68 125.86 1k1t s LEU 119 Ca 0.08 1.95 -0.06 0.00 -1.03 0.00 0.00 54.13 55.08 1k1t s LEU 119 Cb -0.12 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 1k1t s LEU 119 CO 0.02 0.10 0.22 -0.54 0.23 0.00 0.00 176.35 176.38 1k1t s LYS 120 N -1.01 1.15 -0.11 1.70 1.02 -0.28 -5.00 119.74 117.22 1k1t s LYS 120 Ca 0.42 -1.35 -0.04 0.00 0.02 0.00 0.00 55.97 55.02 1k1t s LYS 120 Cb -0.26 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.34 1k1t s LYS 120 CO 0.32 -0.40 0.07 -2.00 -0.92 0.00 0.00 175.35 172.42 1k1t s GLU 121 N -4.04 3.25 0.04 1.68 2.12 -1.26 -0.51 118.70 119.98 1k1t s GLU 121 Ca 0.24 -0.28 -0.06 0.00 0.36 0.00 0.00 54.97 55.23 1k1t s GLU 121 Cb 0.05 -2.99 -0.01 0.00 0.26 0.00 0.00 34.13 31.44 1k1t s GLU 121 CO 0.04 0.71 0.11 0.00 -0.54 0.00 0.00 175.26 175.58 1k1t s ALA 122 N -0.86 -0.11 -0.19 6.30 0.00 -0.17 -4.57 121.76 122.16 1k1t s ALA 122 Ca 0.13 -0.51 -0.16 0.00 0.00 0.00 0.00 51.96 51.42 1k1t s ALA 122 Cb -0.12 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1k1t s ALA 122 CO 0.03 -0.33 0.40 -1.17 0.00 0.00 0.00 175.76 174.69 1k1t s LEU 123 N -2.14 4.18 -0.30 0.00 2.96 -0.21 -1.03 118.68 122.14 1k1t s LEU 123 Ca -0.05 0.56 -0.29 0.00 -0.22 0.00 0.00 54.13 54.13 1k1t s LEU 123 Cb -0.01 -2.53 0.01 0.00 0.50 0.00 0.00 46.19 44.16 1k1t s LEU 123 CO -0.05 -0.05 1.22 -0.76 -1.32 0.00 0.00 176.35 175.39 1k1t s LEU 124 N 1.15 3.92 -0.38 -0.68 1.43 -0.13 -0.64 118.68 123.36 1k1t s LEU 124 Ca 0.20 1.19 0.02 0.00 -1.03 0.00 0.00 54.13 54.51 1k1t s LEU 124 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 1k1t s LEU 124 CO 0.08 -0.99 0.13 -0.62 0.23 0.00 0.00 176.35 175.18 1k1t s ASP 125 N 2.35 4.32 0.36 2.29 -1.08 -0.09 -4.78 116.67 120.04 1k1t s ASP 125 Ca 0.52 -2.25 0.27 0.00 -0.52 0.00 0.00 52.55 50.58 1k1t s ASP 125 Cb -0.15 -1.33 1.19 0.00 -1.46 0.00 0.00 42.92 41.16 1k1t s ASP 125 CO 0.20 -0.35 1.81 0.71 0.52 0.00 0.00 175.17 178.07 1k1t h THR 126 N 6.16 0.00 -0.21 1.71 1.35 -1.94 -1.64 112.91 118.35 1k1t h THR 126 Ca -0.07 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1k1t h THR 126 Cb 0.98 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1k1t h THR 126 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1k1t n GLY 127 N -0.24 0.22 3.49 5.82 0.00 -1.26 -4.82 105.19 108.40 1k1t n GLY 127 Ca 0.01 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 1k1t n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1t s ALA 128 N -1.72 3.14 0.25 4.61 0.00 -0.62 -4.98 121.76 122.44 1k1t s ALA 128 Ca 0.26 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 1k1t s ALA 128 Cb 0.14 -1.87 0.29 0.00 0.00 0.00 0.00 23.12 21.68 1k1t s ALA 128 CO 0.20 -0.14 1.71 -0.44 0.00 0.00 0.00 175.76 177.08 1k1t h ASP 129 N 7.46 0.73 -1.59 0.00 3.32 -1.87 0.46 116.42 124.92 1k1t h ASP 129 Ca -0.36 -0.21 -0.62 0.00 0.02 0.00 0.00 57.03 55.85 1k1t h ASP 129 Cb 1.18 -0.20 -0.12 0.00 0.22 0.00 0.00 39.33 40.41 1k1t h ASP 129 CO 0.62 0.87 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.61 1k1t s ASP 130 N -6.71 3.96 -0.20 6.45 1.01 -1.26 -2.26 116.67 117.65 1k1t s ASP 130 Ca -0.09 -1.35 -0.06 0.00 0.71 0.00 0.00 52.55 51.76 1k1t s ASP 130 Cb 0.14 -0.37 -0.03 0.00 1.01 0.00 0.00 42.92 43.67 1k1t s ASP 130 CO 0.82 -0.48 0.04 -0.89 0.21 0.00 0.00 175.17 174.86 1k1t s THR 131 N -2.70 4.37 -0.09 -1.27 2.01 -1.26 -2.84 115.64 113.86 1k1t s THR 131 Ca 0.34 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1k1t s THR 131 Cb 0.09 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.63 1k1t s THR 131 CO 0.18 0.43 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.73 1k1t s VAL 132 N 0.82 1.21 0.05 3.82 1.01 -0.40 -0.60 120.40 126.31 1k1t s VAL 132 Ca 0.02 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1k1t s VAL 132 Cb -0.14 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1k1t s VAL 132 CO 0.02 0.38 -0.26 -0.63 0.00 0.00 0.00 175.10 174.62 1k1t s ILE 133 N 1.04 2.21 0.90 2.22 -1.09 0.54 -0.33 121.20 126.69 1k1t s ILE 133 Ca -0.07 -1.38 -0.12 0.00 -2.23 0.00 0.00 60.65 56.85 1k1t s ILE 133 Cb -0.15 -1.87 0.09 0.00 -1.58 0.00 0.00 42.46 38.95 1k1t s ILE 133 CO -0.01 0.35 0.87 -0.62 -1.23 0.00 0.00 174.94 174.31 1k1t n GLU 134 N 1.72 -0.24 -1.69 2.79 1.02 -1.25 -0.94 120.64 122.05 1k1t n GLU 134 Ca -0.17 -0.01 -0.44 0.00 -0.02 0.00 0.00 57.16 56.52 1k1t n GLU 134 Cb 0.52 -2.18 -0.03 0.00 -0.02 0.00 0.00 31.44 29.73 1k1t n GLU 134 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1k1t n GLU 135 N -3.00 2.28 -3.45 3.49 1.02 -1.20 -4.47 120.64 115.31 1k1t n GLU 135 Ca 0.10 0.81 -0.12 0.00 -0.02 0.00 0.00 57.16 57.94 1k1t n GLU 135 Cb 0.52 -2.53 -0.02 0.00 -0.02 0.00 0.00 31.44 29.39 1k1t n GLU 135 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k1t s MET 136 N -0.17 1.28 -0.02 3.49 0.23 -1.26 -5.01 119.30 117.84 1k1t s MET 136 Ca 0.69 -0.50 -0.29 0.00 -1.03 0.00 0.00 55.69 54.56 1k1t s MET 136 Cb -0.60 0.58 -0.03 0.00 -1.53 0.00 0.00 34.83 33.25 1k1t s MET 136 CO 0.47 -0.56 0.92 -1.12 -2.03 0.00 0.00 175.02 172.70 1k1t s SER 137 N -2.76 7.28 -0.05 -1.18 0.01 -1.26 -5.04 113.70 110.70 1k1t s SER 137 Ca 0.01 1.56 0.00 0.00 1.31 0.00 0.00 55.95 58.83 1k1t s SER 137 Cb -0.01 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.71 1k1t s SER 137 CO -0.12 -0.24 -0.03 -0.22 0.41 0.00 0.00 173.24 173.04 1k1t s LEU 138 N 1.01 1.09 0.18 2.44 2.96 -1.26 -4.98 118.68 120.11 1k1t s LEU 138 Ca 0.49 -0.11 -0.30 0.00 -0.22 0.00 0.00 54.13 53.98 1k1t s LEU 138 Cb -0.20 -0.44 -0.09 0.00 0.50 0.00 0.00 46.19 45.96 1k1t s LEU 138 CO 0.26 -0.10 1.35 -2.84 -1.32 0.00 0.00 176.35 173.69 1k1t s PRO 139 N 1.26 4.35 0.00 0.98 0.02 -1.26 -4.87 135.00 135.49 1k1t s PRO 139 Ca -0.06 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.05 1k1t s PRO 139 Cb -0.14 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.18 1k1t s PRO 139 CO -0.02 -0.33 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 1k1t n GLY 140 N 2.74 1.95 3.88 0.52 0.00 -1.26 -5.01 105.19 108.00 1k1t n GLY 140 Ca 0.08 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 1k1t n GLY 140 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k1t s ARG 141 N -1.48 3.80 0.17 1.61 3.52 -1.26 -5.10 118.95 120.22 1k1t s ARG 141 Ca 0.00 0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 1k1t s ARG 141 Cb 0.00 -2.62 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 1k1t s ARG 141 CO 0.00 0.28 0.05 1.67 -0.81 0.00 0.00 175.30 176.49 1k1t s TRP 142 N -1.88 1.13 0.00 5.12 1.48 -1.26 -4.27 118.94 119.26 1k1t s TRP 142 Ca 0.48 -1.17 0.01 0.00 -1.06 0.00 0.00 56.10 54.36 1k1t s TRP 142 Cb -0.11 -0.63 -0.01 0.00 -1.16 0.00 0.00 33.47 31.56 1k1t s TRP 142 CO 0.22 -0.39 -0.05 -1.59 -4.06 0.00 0.00 176.95 171.08 1k1t s LYS 143 N -4.01 0.36 0.20 3.25 -2.85 -0.57 -4.91 119.74 111.21 1k1t s LYS 143 Ca 0.28 -0.22 -0.30 0.00 -1.00 0.00 0.00 55.97 54.73 1k1t s LYS 143 Cb 0.07 -0.31 -0.08 0.00 -2.06 0.00 0.00 37.83 35.45 1k1t s LYS 143 CO 0.06 0.08 1.09 -1.25 0.10 0.00 0.00 175.35 175.43 1k1t s PRO 144 N -0.29 4.61 0.26 1.78 0.04 -1.26 -0.20 135.00 139.95 1k1t s PRO 144 Ca -0.00 1.72 0.01 0.00 0.04 0.00 0.00 61.00 62.78 1k1t s PRO 144 Cb -0.03 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 1k1t s PRO 144 CO -0.00 0.12 0.23 0.96 0.04 0.00 0.00 177.00 178.35 1k1t s ILE 145 N -0.46 0.00 0.11 0.56 -4.36 -0.67 -4.92 121.20 111.47 1k1t s ILE 145 Ca 0.48 -1.94 0.10 0.00 -0.26 0.00 0.00 60.65 59.04 1k1t s ILE 145 Cb -0.30 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 40.88 1k1t s ILE 145 CO 0.36 0.00 -0.26 -0.04 0.24 0.00 0.00 174.94 175.24 1k1t s MET 146 N -3.79 1.43 0.11 0.37 -1.94 -1.26 -1.19 119.30 113.03 1k1t s MET 146 Ca 0.38 -1.30 0.03 0.00 -1.71 0.00 0.00 55.69 53.09 1k1t s MET 146 Cb 0.04 -1.86 -0.04 0.00 2.01 0.00 0.00 34.83 34.98 1k1t s MET 146 CO 0.19 0.45 -0.08 0.96 -0.01 0.00 0.00 175.02 176.52 1k1t s ILE 147 N -1.03 0.85 0.15 2.53 -4.36 -0.52 -4.97 121.20 113.85 1k1t s ILE 147 Ca 0.13 -1.84 -0.03 0.00 -0.26 0.00 0.00 60.65 58.65 1k1t s ILE 147 Cb -0.10 -1.57 -0.03 0.00 1.25 0.00 0.00 42.46 42.00 1k1t s ILE 147 CO 0.05 -0.74 0.12 -0.83 0.24 0.00 0.00 174.94 173.79 1k1t s GLY 148 N -2.83 0.95 0.00 6.27 0.00 -1.26 -1.15 107.32 109.29 1k1t s GLY 148 Ca 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1k1t s GLY 148 CO -0.02 -1.25 0.00 0.61 0.00 0.00 0.00 173.10 172.44 1k1t n GLY 149 N -0.15 3.40 3.69 0.20 0.00 -0.09 -4.99 105.19 107.26 1k1t n GLY 149 Ca -0.05 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 1k1t n GLY 149 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k1t n ILE 150 N 0.00 0.09 0.00 -0.61 5.41 -1.26 -1.61 119.36 121.38 1k1t n ILE 150 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1k1t n ILE 150 Cb 0.00 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.12 1k1t n ILE 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1k1t n GLY 151 N 3.81 1.32 0.00 7.39 0.00 -1.26 -4.94 105.19 111.51 1k1t n GLY 151 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1k1t n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1t n GLY 152 N -1.74 0.87 3.30 -0.02 0.00 -0.64 -5.02 105.19 101.95 1k1t n GLY 152 Ca 0.00 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 1k1t n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k1t s PHE 153 N 0.00 1.93 0.10 1.61 0.40 -1.26 -0.91 117.98 119.86 1k1t s PHE 153 Ca 0.00 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 1k1t s PHE 153 Cb 0.00 -1.10 -0.04 0.00 0.51 0.00 0.00 43.02 42.39 1k1t s PHE 153 CO 0.00 0.18 -0.09 0.96 0.70 0.00 0.00 175.22 176.97 1k1t s ILE 154 N -0.99 0.86 -0.03 0.64 -4.36 -0.30 -4.97 121.20 112.05 1k1t s ILE 154 Ca 0.08 -1.79 -0.20 0.00 -0.26 0.00 0.00 60.65 58.48 1k1t s ILE 154 Cb -0.10 -1.52 -0.05 0.00 1.25 0.00 0.00 42.46 42.05 1k1t s ILE 154 CO 0.03 -0.70 0.58 -0.54 0.24 0.00 0.00 174.94 174.56 1k1t s LYS 155 N -3.27 4.32 0.13 0.37 1.02 -1.26 -1.44 119.74 119.61 1k1t s LYS 155 Ca 0.09 0.70 0.01 0.00 0.02 0.00 0.00 55.97 56.78 1k1t s LYS 155 Cb 0.01 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1k1t s LYS 155 CO -0.02 0.31 0.00 0.14 -0.92 0.00 0.00 175.35 174.87 1k1t s VAL 156 N 0.03 0.44 -0.23 3.17 -7.23 -0.33 -4.50 120.40 111.75 1k1t s VAL 156 Ca 0.31 -1.93 -0.13 0.00 -1.81 0.00 0.00 61.98 58.41 1k1t s VAL 156 Cb -0.18 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 1k1t s VAL 156 CO 0.16 -0.60 0.29 -0.13 -0.31 0.00 0.00 175.10 174.51 1k1t s ARG 157 N -3.95 4.10 -0.28 4.82 0.52 0.30 -1.68 118.95 122.79 1k1t s ARG 157 Ca 0.20 -0.04 -0.18 0.00 -0.52 0.00 0.00 55.73 55.20 1k1t s ARG 157 Cb 0.07 -3.56 -0.02 0.00 0.52 0.00 0.00 34.95 31.95 1k1t s ARG 157 CO 0.00 -0.04 0.50 -1.14 0.02 0.00 0.00 175.30 174.65 1k1t s GLN 158 N 1.33 3.97 -0.14 3.54 0.74 0.72 -0.68 119.66 129.14 1k1t s GLN 158 Ca 0.13 0.20 -0.04 0.00 0.05 0.00 0.00 55.36 55.70 1k1t s GLN 158 Cb -0.14 -3.69 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 1k1t s GLN 158 CO 0.07 -0.41 -0.01 0.71 -0.55 0.00 0.00 175.29 175.10 1k1t s TYR 159 N 2.32 3.09 0.22 1.67 1.51 -0.18 -1.51 117.35 124.47 1k1t s TYR 159 Ca 0.20 -0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.20 1k1t s TYR 159 Cb -0.16 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 1k1t s TYR 159 CO 0.10 0.11 0.22 -0.51 -1.11 0.00 0.00 175.55 174.37 1k1t s ASP 160 N 0.07 5.75 -1.42 2.29 1.01 -1.26 -0.98 116.67 122.14 1k1t s ASP 160 Ca 0.01 -0.13 -0.09 0.00 0.71 0.00 0.00 52.55 53.05 1k1t s ASP 160 Cb -0.13 -1.54 0.04 0.00 1.01 0.00 0.00 42.92 42.30 1k1t s ASP 160 CO 0.02 -0.02 0.98 0.00 0.21 0.00 0.00 175.17 176.37 1k1t n GLN 161 N -1.01 -6.14 -3.33 8.23 6.02 -1.13 -4.90 117.38 115.12 1k1t n GLN 161 Ca -0.08 0.68 -0.38 0.00 -0.01 0.00 0.00 57.00 57.21 1k1t n GLN 161 Cb 0.57 -5.56 -0.06 0.00 1.02 0.00 0.00 30.24 26.20 1k1t n GLN 161 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1k1t s ILE 162 N -3.38 5.16 0.06 5.09 -1.09 -0.08 -4.69 121.20 122.27 1k1t s ILE 162 Ca 0.46 0.95 -0.31 0.00 -2.23 0.00 0.00 60.65 59.52 1k1t s ILE 162 Cb -0.22 -3.81 -0.06 0.00 -1.58 0.00 0.00 42.46 36.79 1k1t s ILE 162 CO 0.79 0.36 1.21 -0.63 -1.23 0.00 0.00 174.94 175.44 1k1t s ILE 163 N 0.42 4.01 -0.10 2.92 1.01 -1.26 -1.46 121.20 126.74 1k1t s ILE 163 Ca 0.26 1.44 -0.05 0.00 0.00 0.00 0.00 60.65 62.30 1k1t s ILE 163 Cb -0.15 -3.92 0.05 0.00 0.01 0.00 0.00 42.46 38.44 1k1t s ILE 163 CO 0.11 0.11 0.22 -0.51 0.00 0.00 0.00 174.94 174.87 1k1t s ILE 164 N 1.10 -0.12 -0.11 2.92 2.07 0.00 -4.39 121.20 122.67 1k1t s ILE 164 Ca 0.59 0.19 -0.16 0.00 -1.41 0.00 0.00 60.65 59.86 1k1t s ILE 164 Cb -0.30 -0.36 -0.05 0.00 0.13 0.00 0.00 42.46 41.89 1k1t s ILE 164 CO 0.29 0.08 0.41 -0.70 -1.91 0.00 0.00 174.94 173.11 1k1t s GLU 165 N 1.53 4.24 -0.22 3.50 2.56 -0.52 -0.98 118.70 128.81 1k1t s GLU 165 Ca -0.06 0.33 -0.00 0.00 0.00 0.00 0.00 54.97 55.24 1k1t s GLU 165 Cb -0.11 -3.40 0.06 0.00 2.00 0.00 0.00 34.13 32.68 1k1t s GLU 165 CO -0.08 0.27 -0.03 0.42 -0.56 0.00 0.00 175.26 175.28 1k1t s ILE 166 N 0.30 1.27 -1.37 -3.70 1.01 0.12 -0.93 121.20 117.90 1k1t s ILE 166 Ca 0.23 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 1k1t s ILE 166 Cb -0.15 -1.59 0.06 0.00 0.01 0.00 0.00 42.46 40.79 1k1t s ILE 166 CO 0.09 -0.12 0.56 0.00 0.00 0.00 0.00 174.94 175.47 1k1t n ALA 167 N 4.77 -1.07 -1.03 9.38 0.00 -0.23 -0.89 120.51 131.43 1k1t n ALA 167 Ca -0.11 0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.44 1k1t n ALA 167 Cb 0.45 -3.15 -0.00 0.00 0.00 0.00 0.00 19.45 16.74 1k1t n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k1t n GLY 168 N -1.29 0.50 3.55 0.00 0.00 -1.26 -5.04 105.19 101.64 1k1t n GLY 168 Ca -0.02 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 1k1t n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k1t s HIS 169 N -1.96 2.91 0.11 1.61 4.02 -0.07 -5.11 115.29 116.79 1k1t s HIS 169 Ca 0.00 -0.08 -0.25 0.00 1.02 0.00 0.00 55.06 55.76 1k1t s HIS 169 Cb 0.00 -1.73 -0.07 0.00 -1.02 0.00 0.00 32.58 29.76 1k1t s HIS 169 CO 0.00 0.24 0.75 0.21 1.02 0.00 0.00 174.74 176.96 1k1t s LYS 170 N -0.60 4.50 0.06 1.40 2.20 -1.26 -0.70 119.74 125.34 1k1t s LYS 170 Ca 0.09 1.07 0.02 0.00 -0.36 0.00 0.00 55.97 56.79 1k1t s LYS 170 Cb -0.12 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 1k1t s LYS 170 CO 0.02 0.46 -0.07 0.00 -0.36 0.00 0.00 175.35 175.40 1k1t s ALA 171 N -0.70 0.73 -0.15 3.13 0.00 -0.15 -4.65 121.76 119.99 1k1t s ALA 171 Ca 0.36 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 1k1t s ALA 171 Cb -0.22 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.05 1k1t s ALA 171 CO 0.24 -0.10 0.13 0.42 0.00 0.00 0.00 175.76 176.45 1k1t s ILE 172 N -2.26 -0.19 0.00 0.00 1.01 -1.26 -0.82 121.20 117.69 1k1t s ILE 172 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1k1t s ILE 172 Cb -0.04 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.94 1k1t s ILE 172 CO -0.02 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.41 1k1t n GLY 173 N 5.30 1.25 3.72 6.18 0.00 -0.53 -4.79 105.19 116.31 1k1t n GLY 173 Ca -0.06 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 1k1t n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1t s THR 174 N -1.75 4.95 -0.07 2.61 2.01 -1.26 -0.90 115.64 121.23 1k1t s THR 174 Ca 0.00 1.66 0.03 0.00 0.31 0.00 0.00 61.69 63.69 1k1t s THR 174 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1k1t s THR 174 CO 0.00 0.24 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.30 1k1t s VAL 175 N 0.73 1.55 -0.17 3.82 1.01 -0.15 -4.45 120.40 122.74 1k1t s VAL 175 Ca 0.42 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1k1t s VAL 175 Cb -0.19 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1k1t s VAL 175 CO 0.22 0.45 0.12 -0.76 0.00 0.00 0.00 175.10 175.12 1k1t s LEU 176 N 0.40 4.20 -0.14 3.92 1.43 0.23 -1.01 118.68 127.71 1k1t s LEU 176 Ca -0.14 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1k1t s LEU 176 Cb -0.16 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1k1t s LEU 176 CO 0.05 0.27 -0.21 -0.69 0.23 0.00 0.00 176.35 176.00 1k1t s VAL 177 N -0.16 2.01 -1.04 -1.59 1.01 0.14 -0.34 120.40 120.44 1k1t s VAL 177 Ca 0.10 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1k1t s VAL 177 Cb -0.12 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1k1t s VAL 177 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1k1t n GLY 178 N 4.15 -1.30 2.57 4.51 0.00 -0.11 -0.54 105.19 114.47 1k1t n GLY 178 Ca -0.20 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 1k1t n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k1t n PRO 179 N -0.03 3.08 -2.94 1.61 -0.04 -1.26 -3.24 135.00 132.17 1k1t n PRO 179 Ca 0.00 -2.32 -0.34 0.00 -0.04 0.00 0.00 63.50 60.80 1k1t n PRO 179 Cb 0.00 -3.01 -0.06 0.00 -0.04 0.00 0.00 33.50 30.38 1k1t n PRO 179 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1k1t s THR 180 N 2.89 4.45 0.52 0.52 -1.32 -1.26 -4.98 115.64 116.45 1k1t s THR 180 Ca 0.57 1.40 0.17 0.00 -1.21 0.00 0.00 61.69 62.62 1k1t s THR 180 Cb 0.15 -3.75 0.27 0.00 -1.51 0.00 0.00 72.50 67.66 1k1t s THR 180 CO -0.06 -0.08 2.14 -0.65 -2.21 0.00 0.00 174.62 173.76 1k1t h PRO 181 N 2.57 0.00 -3.31 7.08 0.11 -1.99 -3.45 132.00 133.02 1k1t h PRO 181 Ca -0.48 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1k1t h PRO 181 Cb 1.18 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.08 1k1t h PRO 181 CO 0.64 0.02 -0.42 0.45 -0.21 0.00 0.00 178.00 178.48 1k1t s SER 182 N -6.98 -0.09 0.27 -2.05 0.15 -1.26 -5.12 113.70 98.62 1k1t s SER 182 Ca -0.05 0.00 -0.30 0.00 0.70 0.00 0.00 55.95 56.31 1k1t s SER 182 Cb 0.17 0.29 -0.10 0.00 -1.71 0.00 0.00 66.02 64.66 1k1t s SER 182 CO 0.66 -0.34 1.38 0.20 1.20 0.00 0.00 173.24 176.35 1k1t s ASN 183 N -1.08 6.72 -0.05 5.45 0.01 -1.26 -4.78 114.94 119.95 1k1t s ASN 183 Ca -0.12 2.64 0.01 0.00 -0.71 0.00 0.00 52.86 54.69 1k1t s ASN 183 Cb -0.06 -2.63 0.02 0.00 0.41 0.00 0.00 41.25 38.99 1k1t s ASN 183 CO 0.02 -0.63 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.30 1k1t s ILE 184 N -0.35 0.64 -0.33 0.60 1.01 0.55 -1.04 121.20 122.28 1k1t s ILE 184 Ca 0.56 -0.17 -0.14 0.00 0.00 0.00 0.00 60.65 60.89 1k1t s ILE 184 Cb -0.40 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 1k1t s ILE 184 CO 0.46 0.25 0.32 -0.63 0.00 0.00 0.00 174.94 175.34 1k1t s ILE 185 N 0.95 5.21 0.24 2.92 -1.09 0.19 -1.28 121.20 128.35 1k1t s ILE 185 Ca -0.10 0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.38 1k1t s ILE 185 Cb -0.14 -3.76 0.04 0.00 -1.58 0.00 0.00 42.46 37.01 1k1t s ILE 185 CO 0.00 -0.03 0.29 0.61 -1.23 0.00 0.00 174.94 174.59 1k1t n GLY 186 N 4.98 2.21 0.24 6.18 0.00 -1.13 -0.91 105.19 116.76 1k1t n GLY 186 Ca -0.10 -2.19 0.08 0.00 0.00 0.00 0.00 46.02 43.81 1k1t n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k1t h ARG 187 N 0.00 0.00 -0.48 1.61 3.08 -0.87 -0.39 114.38 117.33 1k1t h ARG 187 Ca -0.12 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.95 1k1t h ARG 187 Cb 0.53 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1k1t h ARG 187 CO 0.18 0.16 0.32 -2.95 -1.07 0.00 0.00 179.97 176.61 1k1t h ASN 188 N 0.00 0.48 0.01 7.04 -1.07 -1.71 -1.78 115.58 118.55 1k1t h ASN 188 Ca -0.00 -0.01 -0.30 0.00 0.07 0.00 0.00 56.30 56.06 1k1t h ASN 188 Cb 0.31 -0.11 -0.06 0.00 -2.07 0.00 0.00 38.32 36.39 1k1t h ASN 188 CO 0.02 0.33 -2.30 0.18 0.07 0.00 0.00 177.43 175.73 1k1t n LEU 189 N -4.47 0.02 -0.08 6.14 4.77 -0.75 -4.13 117.00 118.50 1k1t n LEU 189 Ca 0.05 0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1k1t n LEU 189 Cb 0.13 0.40 0.34 0.00 -2.33 0.00 0.00 43.42 41.96 1k1t n LEU 189 CO 0.35 0.41 1.16 -0.07 -1.33 0.00 0.00 177.39 177.91 1k1t h LEU 190 N 0.00 0.63 -1.04 2.23 3.38 -0.89 -1.37 115.31 118.25 1k1t h LEU 190 Ca -0.44 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 1k1t h LEU 190 Cb 2.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.59 1k1t h LEU 190 CO 0.03 0.48 0.01 0.71 0.09 0.00 0.00 178.44 179.76 1k1t h THR 191 N 0.73 1.23 -0.28 0.22 1.35 -1.52 -1.32 112.91 113.32 1k1t h THR 191 Ca 0.19 -0.92 -0.07 0.00 -0.55 0.00 0.00 66.41 65.07 1k1t h THR 191 Cb -0.03 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 67.26 1k1t h THR 191 CO -0.04 0.32 -0.14 1.56 -0.25 0.00 0.00 175.52 176.98 1k1t h GLN 192 N 0.66 0.47 -0.31 4.72 4.20 -1.42 -1.78 115.11 121.65 1k1t h GLN 192 Ca 0.13 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1k1t h GLN 192 Cb 0.40 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1k1t h GLN 192 CO 0.01 0.60 0.00 0.44 -0.67 0.00 0.00 178.83 179.22 1k1t n ILE 193 N -4.20 0.40 -2.08 2.54 -5.35 -0.94 -4.93 119.36 104.80 1k1t n ILE 193 Ca 0.00 -0.49 -0.08 0.00 -0.27 0.00 0.00 62.75 61.92 1k1t n ILE 193 Cb 0.33 0.39 -0.01 0.00 -1.74 0.00 0.00 39.64 38.61 1k1t n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k1t n GLY 194 N 1.18 0.12 3.75 3.28 0.00 -0.67 -5.01 105.19 107.84 1k1t n GLY 194 Ca 0.15 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 1k1t n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1t s ALA 195 N -2.37 3.35 0.13 4.61 0.00 -0.53 -5.02 121.76 121.92 1k1t s ALA 195 Ca 0.00 0.73 0.05 0.00 0.00 0.00 0.00 51.96 52.73 1k1t s ALA 195 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1k1t s ALA 195 CO 0.00 -0.02 -0.11 0.95 0.00 0.00 0.00 175.76 176.58 1k1t s THR 196 N -0.74 1.14 0.00 0.00 -4.23 -1.26 -4.68 115.64 105.87 1k1t s THR 196 Ca 0.45 -1.85 -0.13 0.00 -1.18 0.00 0.00 61.69 58.98 1k1t s THR 196 Cb -0.28 -1.62 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 1k1t s THR 196 CO 0.34 -0.61 0.37 -0.76 -0.54 0.00 0.00 174.62 173.43 1k1t s LEU 197 N -2.77 4.44 -0.00 4.79 1.43 -1.26 -5.10 118.68 120.20 1k1t s LEU 197 Ca 0.11 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 1k1t s LEU 197 Cb -0.01 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1k1t s LEU 197 CO 0.01 0.30 -0.02 0.20 0.23 0.00 0.00 176.35 177.08 1k1t s ASN 198 N -1.22 0.25 0.00 2.29 0.01 -1.26 -5.29 114.94 109.73 1k1t s ASN 198 Ca 0.25 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.36 1k1t s ASN 198 Cb -0.16 -0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.46 1k1t s ASN 198 CO 0.13 0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.95