#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffi s GLN 102 N 0.00 3.34 -0.27 0.54 0.74 -1.26 -5.09 119.66 117.66 1ffi s GLN 102 Ca 0.00 -0.64 -0.06 0.00 0.05 0.00 0.00 55.36 54.71 1ffi s GLN 102 Cb 0.00 -2.99 0.00 0.00 1.10 0.00 0.00 33.01 31.13 1ffi s GLN 102 CO 0.00 -0.20 0.05 0.42 -0.55 0.00 0.00 175.29 175.01 1ffi s ILE 103 N 1.47 3.86 0.78 -2.34 1.01 -1.26 -5.10 121.20 119.62 1ffi s ILE 103 Ca 0.06 -0.61 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 1ffi s ILE 103 Cb -0.14 -2.93 0.06 0.00 0.01 0.00 0.00 42.46 39.46 1ffi s ILE 103 CO -0.04 0.17 1.15 0.42 0.00 0.00 0.00 174.94 176.64 1ffi s THR 104 N 1.50 2.51 -0.18 2.92 -4.23 -1.26 -5.02 115.64 111.88 1ffi s THR 104 Ca 0.03 0.17 0.16 0.00 -1.18 0.00 0.00 61.69 60.87 1ffi s THR 104 Cb -0.16 -3.15 0.45 0.00 1.34 0.00 0.00 72.50 70.98 1ffi s THR 104 CO 0.01 -0.22 1.34 0.18 -0.54 0.00 0.00 174.62 175.40 1ffi n LEU 105 N -3.24 3.43 0.21 4.79 4.77 -1.26 -4.57 117.00 121.14 1ffi n LEU 105 Ca 0.08 -3.18 0.04 0.00 -0.03 0.00 0.00 56.01 52.92 1ffi n LEU 105 Cb 0.60 -0.52 0.45 0.00 -2.33 0.00 0.00 43.42 41.61 1ffi n LEU 105 CO 0.57 0.79 0.83 -0.50 -1.33 0.00 0.00 177.39 177.76 1ffi h TRP 106 N 1.13 0.00 -2.48 -1.77 4.06 -2.06 -3.43 115.95 111.41 1ffi h TRP 106 Ca 0.03 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.46 1ffi h TRP 106 Cb 1.33 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.35 1ffi h TRP 106 CO 0.44 0.25 -0.69 0.15 -3.56 0.00 0.00 178.44 175.03 1ffi s LYS 107 N -4.46 1.59 0.27 0.49 3.01 -1.26 -5.11 119.74 114.28 1ffi s LYS 107 Ca -0.03 -1.79 -0.30 0.00 -1.01 0.00 0.00 55.97 52.83 1ffi s LYS 107 Cb 0.15 -1.32 -0.12 0.00 -1.01 0.00 0.00 37.83 35.53 1ffi s LYS 107 CO 0.71 0.10 1.64 0.54 0.51 0.00 0.00 175.35 178.85 1ffi n ARG 108 N -0.61 2.77 -1.32 1.68 1.74 -1.26 -4.85 116.66 114.81 1ffi n ARG 108 Ca -0.06 0.99 -0.39 0.00 -0.77 0.00 0.00 57.85 57.62 1ffi n ARG 108 Cb 0.63 -2.80 -0.03 0.00 -1.02 0.00 0.00 32.46 29.24 1ffi n ARG 108 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ffi n PRO 109 N 2.65 2.35 -3.13 5.56 -0.04 -1.26 -4.92 135.00 136.20 1ffi n PRO 109 Ca 0.10 -2.10 -0.39 0.00 -0.04 0.00 0.00 63.50 61.07 1ffi n PRO 109 Cb 0.37 -2.97 -0.05 0.00 -0.04 0.00 0.00 33.50 30.80 1ffi n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ffi s LEU 110 N 1.26 4.37 0.23 1.53 1.43 -1.26 -1.01 118.68 125.23 1ffi s LEU 110 Ca 0.53 1.18 0.04 0.00 -1.03 0.00 0.00 54.13 54.84 1ffi s LEU 110 Cb 0.14 -3.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.31 1ffi s LEU 110 CO -0.00 0.01 -0.00 0.68 0.23 0.00 0.00 176.35 177.26 1ffi s VAL 111 N 0.24 1.03 -0.04 -1.59 -7.23 0.42 -4.95 120.40 108.28 1ffi s VAL 111 Ca 0.34 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.31 1ffi s VAL 111 Cb -0.18 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 1ffi s VAL 111 CO 0.18 -0.32 0.46 -0.89 -0.31 0.00 0.00 175.10 174.22 1ffi s THR 112 N -3.42 5.05 0.27 5.32 2.01 -1.26 -0.87 115.64 122.74 1ffi s THR 112 Ca 0.29 0.95 0.10 0.00 0.31 0.00 0.00 61.69 63.33 1ffi s THR 112 Cb 0.06 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 1ffi s THR 112 CO 0.09 0.47 -0.15 0.27 -0.69 0.00 0.00 174.62 174.60 1ffi s ILE 113 N -0.36 2.17 -0.10 1.82 -4.36 0.72 -1.16 121.20 119.93 1ffi s ILE 113 Ca 0.25 -2.29 -0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1ffi s ILE 113 Cb -0.16 -2.32 0.02 0.00 1.25 0.00 0.00 42.46 41.24 1ffi s ILE 113 CO 0.13 -0.40 -0.07 -0.75 0.24 0.00 0.00 174.94 174.09 1ffi s LYS 114 N -3.58 1.42 -0.06 0.37 2.20 -0.02 -1.16 119.74 118.91 1ffi s LYS 114 Ca 0.29 -0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 55.64 1ffi s LYS 114 Cb -0.02 -1.47 0.04 0.00 -1.51 0.00 0.00 37.83 34.86 1ffi s LYS 114 CO 0.13 -0.23 0.14 -1.50 -0.36 0.00 0.00 175.35 173.53 1ffi s ILE 115 N 1.59 -0.04 -1.60 5.43 2.07 -0.41 -0.94 121.20 127.29 1ffi s ILE 115 Ca 0.02 0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 1ffi s ILE 115 Cb -0.13 -0.23 0.00 0.00 0.13 0.00 0.00 42.46 42.23 1ffi s ILE 115 CO -0.06 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1ffi n GLY 116 N 4.08 0.00 2.81 1.50 0.00 -1.26 -1.37 105.19 110.96 1ffi n GLY 116 Ca -0.25 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1ffi n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ffi n GLY 117 N -0.97 0.67 3.67 -0.02 0.00 -1.26 -5.01 105.19 102.26 1ffi n GLY 117 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1ffi n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ffi s GLN 118 N -0.25 2.80 -0.09 1.61 -0.21 -0.47 -5.10 119.66 117.95 1ffi s GLN 118 Ca 0.00 -0.58 -0.15 0.00 0.02 0.00 0.00 55.36 54.65 1ffi s GLN 118 Cb 0.00 -2.67 -0.05 0.00 1.00 0.00 0.00 33.01 31.29 1ffi s GLN 118 CO 0.00 0.64 0.37 -0.51 -2.12 0.00 0.00 175.29 173.67 1ffi s LEU 119 N -1.36 4.34 0.18 2.90 1.43 -1.26 -1.29 118.68 123.62 1ffi s LEU 119 Ca 0.18 0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1ffi s LEU 119 Cb -0.11 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1ffi s LEU 119 CO 0.08 0.16 0.08 -0.54 0.23 0.00 0.00 176.35 176.36 1ffi s LYS 120 N -0.08 1.13 -0.11 1.70 1.02 -0.31 -4.97 119.74 118.12 1ffi s LYS 120 Ca 0.21 -1.57 -0.03 0.00 0.02 0.00 0.00 55.97 54.60 1ffi s LYS 120 Cb -0.15 0.11 -0.03 0.00 -0.52 0.00 0.00 37.83 37.24 1ffi s LYS 120 CO 0.09 -0.30 0.02 -1.83 -0.92 0.00 0.00 175.35 172.41 1ffi s GLU 121 N -4.07 3.22 0.03 1.68 -1.05 -1.26 -0.20 118.70 117.06 1ffi s GLU 121 Ca 0.32 -0.38 -0.01 0.00 -0.15 0.00 0.00 54.97 54.74 1ffi s GLU 121 Cb 0.07 -2.90 -0.03 0.00 -0.44 0.00 0.00 34.13 30.84 1ffi s GLU 121 CO 0.08 0.61 -0.01 0.00 0.95 0.00 0.00 175.26 176.88 1ffi s ALA 122 N -0.61 0.26 -0.22 -0.84 0.00 -0.05 -4.54 121.76 115.75 1ffi s ALA 122 Ca 0.10 -0.84 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 1ffi s ALA 122 Cb -0.12 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1ffi s ALA 122 CO 0.02 -0.27 0.27 -1.17 0.00 0.00 0.00 175.76 174.62 1ffi s LEU 123 N -2.15 4.13 -0.31 0.00 2.96 0.09 -0.44 118.68 122.97 1ffi s LEU 123 Ca -0.05 0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 53.87 1ffi s LEU 123 Cb -0.01 -2.30 -0.00 0.00 0.50 0.00 0.00 46.19 44.38 1ffi s LEU 123 CO -0.05 -0.00 1.39 -0.76 -1.32 0.00 0.00 176.35 175.60 1ffi s LEU 124 N 1.17 3.82 -0.33 -0.68 1.43 -0.18 -0.21 118.68 123.70 1ffi s LEU 124 Ca 0.13 1.21 0.03 0.00 -1.03 0.00 0.00 54.13 54.48 1ffi s LEU 124 Cb -0.14 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.64 1ffi s LEU 124 CO 0.06 -1.19 0.04 -0.62 0.23 0.00 0.00 176.35 174.87 1ffi s ASP 125 N 3.31 4.65 0.48 2.29 -1.08 -0.12 -4.79 116.67 121.42 1ffi s ASP 125 Ca 0.60 -2.01 0.32 0.00 -0.52 0.00 0.00 52.55 50.93 1ffi s ASP 125 Cb -0.18 -1.55 1.31 0.00 -1.46 0.00 0.00 42.92 41.05 1ffi s ASP 125 CO 0.26 -0.36 1.93 0.71 0.52 0.00 0.00 175.17 178.23 1ffi h THR 126 N 6.62 0.00 -0.34 1.71 1.35 -1.93 -2.40 112.91 117.91 1ffi h THR 126 Ca -0.07 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1ffi h THR 126 Cb 1.02 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1ffi h THR 126 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 1ffi n GLY 127 N -0.03 0.69 3.33 5.82 0.00 -1.26 -4.83 105.19 108.91 1ffi n GLY 127 Ca 0.01 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 1ffi n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffi s ALA 128 N -1.55 2.57 0.16 4.61 0.00 -0.90 -5.00 121.76 121.65 1ffi s ALA 128 Ca 0.27 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 51.19 1ffi s ALA 128 Cb 0.14 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 22.05 1ffi s ALA 128 CO 0.19 0.13 1.47 -0.44 0.00 0.00 0.00 175.76 177.10 1ffi h ASP 129 N 6.96 0.83 -0.88 0.00 3.32 -1.88 0.97 116.42 125.75 1ffi h ASP 129 Ca -0.28 -0.43 -0.66 0.00 0.02 0.00 0.00 57.03 55.68 1ffi h ASP 129 Cb 1.20 -0.24 -0.13 0.00 0.22 0.00 0.00 39.33 40.39 1ffi h ASP 129 CO 0.56 1.19 -0.54 0.20 -1.72 0.00 0.00 179.24 178.92 1ffi s ASN 130 N -6.92 4.05 -0.25 6.45 -0.87 -1.26 -2.56 114.94 113.59 1ffi s ASN 130 Ca -0.09 -1.53 -0.08 0.00 -1.57 0.00 0.00 52.86 49.58 1ffi s ASN 130 Cb 0.11 0.15 -0.04 0.00 -0.02 0.00 0.00 41.25 41.46 1ffi s ASN 130 CO 0.87 -0.70 0.10 -0.89 -2.57 0.00 0.00 177.10 173.91 1ffi s THR 131 N -2.81 4.64 -0.12 1.60 2.01 -1.26 -2.67 115.64 117.03 1ffi s THR 131 Ca 0.18 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.14 1ffi s THR 131 Cb 0.05 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.40 1ffi s THR 131 CO 0.09 0.33 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.48 1ffi s VAL 132 N 1.49 1.78 0.13 3.82 1.01 -0.59 -0.50 120.40 127.53 1ffi s VAL 132 Ca 0.06 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.33 1ffi s VAL 132 Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1ffi s VAL 132 CO 0.05 0.50 -0.21 -0.63 0.00 0.00 0.00 175.10 174.80 1ffi s ILE 133 N 0.90 2.61 0.84 2.22 -1.09 0.12 -0.76 121.20 126.04 1ffi s ILE 133 Ca -0.07 -1.63 -0.10 0.00 -2.23 0.00 0.00 60.65 56.62 1ffi s ILE 133 Cb -0.15 -2.19 0.10 0.00 -1.58 0.00 0.00 42.46 38.64 1ffi s ILE 133 CO -0.02 0.08 1.11 -1.61 -1.23 0.00 0.00 174.94 173.28 1ffi s GLU 134 N -2.16 1.65 -0.08 2.79 2.02 -1.26 -1.66 118.70 120.01 1ffi s GLU 134 Ca 0.17 1.30 -0.40 0.00 0.02 0.00 0.00 54.97 56.05 1ffi s GLU 134 Cb -0.10 -1.82 -0.19 0.00 0.10 0.00 0.00 34.13 32.12 1ffi s GLU 134 CO 0.09 -2.11 1.30 0.39 0.02 0.00 0.00 175.26 174.95 1ffi n GLU 135 N -3.85 0.48 -3.73 1.61 -0.58 -1.25 -4.66 120.64 108.65 1ffi n GLU 135 Ca 0.10 0.17 -0.04 0.00 -0.42 0.00 0.00 57.16 56.97 1ffi n GLU 135 Cb 0.53 -1.74 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 1ffi n GLU 135 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ffi s MET 136 N 0.97 1.18 -0.18 3.49 0.23 -1.26 -5.07 119.30 118.66 1ffi s MET 136 Ca 0.92 -0.64 -0.15 0.00 -1.03 0.00 0.00 55.69 54.79 1ffi s MET 136 Cb -1.18 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 32.49 1ffi s MET 136 CO 0.58 -0.54 0.36 -1.12 -2.03 0.00 0.00 175.02 172.27 1ffi s SER 137 N -2.90 6.46 0.03 -1.18 0.01 -1.26 -5.07 113.70 109.78 1ffi s SER 137 Ca 0.11 0.54 0.05 0.00 1.31 0.00 0.00 55.95 57.97 1ffi s SER 137 Cb -0.01 -2.22 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 1ffi s SER 137 CO 0.01 0.00 -0.16 -0.76 0.41 0.00 0.00 173.24 172.75 1ffi s LEU 138 N 0.90 2.13 0.65 2.44 1.43 -1.26 -4.95 118.68 120.01 1ffi s LEU 138 Ca 0.19 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 1ffi s LEU 138 Cb -0.14 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 1ffi s LEU 138 CO 0.07 0.11 1.06 -2.16 0.23 0.00 0.00 176.35 175.66 1ffi s PRO 139 N -0.92 3.07 0.37 1.29 0.04 -1.26 -4.95 135.00 132.64 1ffi s PRO 139 Ca 0.04 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1ffi s PRO 139 Cb -0.07 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1ffi s PRO 139 CO 0.01 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.46 1ffi n GLY 140 N -1.36 -2.39 3.88 0.56 0.00 -1.26 -4.95 105.19 99.67 1ffi n GLY 140 Ca 0.08 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 1ffi n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ffi s ARG 141 N -0.53 3.75 0.18 1.61 0.52 -1.26 -5.10 118.95 118.12 1ffi s ARG 141 Ca 0.00 0.39 0.08 0.00 -0.52 0.00 0.00 55.73 55.68 1ffi s ARG 141 Cb 0.00 -2.43 -0.04 0.00 0.52 0.00 0.00 34.95 33.00 1ffi s ARG 141 CO 0.00 -0.00 -0.16 1.67 0.02 0.00 0.00 175.30 176.83 1ffi s TRP 142 N -2.34 1.70 0.23 -0.53 1.48 -1.26 -4.71 118.94 113.51 1ffi s TRP 142 Ca 0.50 -0.53 0.11 0.00 -1.06 0.00 0.00 56.10 55.12 1ffi s TRP 142 Cb -0.10 -0.82 -0.05 0.00 -1.16 0.00 0.00 33.47 31.34 1ffi s TRP 142 CO 0.31 0.32 -0.21 -1.59 -4.06 0.00 0.00 176.95 171.72 1ffi s LYS 143 N -3.20 1.64 0.40 3.25 -2.85 -0.64 -4.89 119.74 113.45 1ffi s LYS 143 Ca 0.18 -1.59 -0.23 0.00 -1.00 0.00 0.00 55.97 53.32 1ffi s LYS 143 Cb -0.03 -1.85 -0.10 0.00 -2.06 0.00 0.00 37.83 33.79 1ffi s LYS 143 CO 0.06 0.38 1.00 -1.25 0.10 0.00 0.00 175.35 175.64 1ffi s PRO 144 N -3.02 4.23 -0.14 1.78 0.04 -1.26 -0.65 135.00 135.99 1ffi s PRO 144 Ca 0.25 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.52 1ffi s PRO 144 Cb -0.07 -2.47 0.04 0.00 0.04 0.00 0.00 34.50 32.04 1ffi s PRO 144 CO 0.12 -0.06 0.39 0.21 0.04 0.00 0.00 177.00 177.70 1ffi s LYS 145 N -2.63 0.48 -0.16 4.56 2.20 -1.00 -4.85 119.74 118.34 1ffi s LYS 145 Ca 0.58 0.48 -0.02 0.00 -0.36 0.00 0.00 55.97 56.65 1ffi s LYS 145 Cb -0.18 0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.36 1ffi s LYS 145 CO 0.23 -0.07 -0.09 1.41 -0.36 0.00 0.00 175.35 176.47 1ffi s MET 146 N 0.08 3.44 0.16 4.03 -2.45 -1.26 -0.83 119.30 122.46 1ffi s MET 146 Ca -0.01 -0.64 0.09 0.00 -1.25 0.00 0.00 55.69 53.89 1ffi s MET 146 Cb -0.03 -2.79 -0.04 0.00 1.25 0.00 0.00 34.83 33.22 1ffi s MET 146 CO 0.01 0.10 -0.21 0.96 1.05 0.00 0.00 175.02 176.93 1ffi s ILE 147 N 0.67 1.97 0.06 10.11 -4.36 -0.56 -4.98 121.20 124.11 1ffi s ILE 147 Ca -0.05 -1.87 0.08 0.00 -0.26 0.00 0.00 60.65 58.55 1ffi s ILE 147 Cb -0.15 -1.88 -0.03 0.00 1.25 0.00 0.00 42.46 41.65 1ffi s ILE 147 CO 0.02 -0.19 -0.21 -0.83 0.24 0.00 0.00 174.94 173.97 1ffi s GLY 148 N -2.50 1.55 0.00 6.27 0.00 -1.26 -1.27 107.32 110.11 1ffi s GLY 148 Ca 0.15 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.62 1ffi s GLY 148 CO 0.07 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.62 1ffi n GLY 149 N 1.46 5.09 0.30 0.20 0.00 0.14 -4.99 105.19 107.40 1ffi n GLY 149 Ca -0.16 -1.69 0.03 0.00 0.00 0.00 0.00 46.02 44.20 1ffi n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ffi h ILE 150 N 0.45 1.12 -0.01 -0.61 6.09 -2.02 -2.98 117.51 119.54 1ffi h ILE 150 Ca 0.00 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 1ffi h ILE 150 Cb 0.00 0.65 0.00 0.00 0.47 0.00 0.00 36.82 37.94 1ffi h ILE 150 CO 0.00 0.13 -0.52 0.61 -3.07 0.00 0.00 178.15 175.31 1ffi n GLY 151 N -1.34 -0.11 0.00 8.18 0.00 -1.26 -5.08 105.19 105.57 1ffi n GLY 151 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1ffi n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ffi n GLY 152 N 1.42 0.61 3.52 -0.02 0.00 -1.13 -5.11 105.19 104.48 1ffi n GLY 152 Ca 0.09 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 1ffi n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ffi s PHE 153 N -4.00 2.64 0.05 1.61 0.40 -1.26 0.29 117.98 117.70 1ffi s PHE 153 Ca 0.00 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.14 1ffi s PHE 153 Cb 0.00 -1.43 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 1ffi s PHE 153 CO 0.00 0.36 -0.07 0.96 0.70 0.00 0.00 175.22 177.17 1ffi s ILE 154 N -1.10 0.52 -0.07 0.64 -4.36 -0.40 -4.99 121.20 111.44 1ffi s ILE 154 Ca 0.18 -1.23 -0.13 0.00 -0.26 0.00 0.00 60.65 59.21 1ffi s ILE 154 Cb -0.11 -0.79 -0.05 0.00 1.25 0.00 0.00 42.46 42.76 1ffi s ILE 154 CO 0.10 -0.50 0.31 -0.54 0.24 0.00 0.00 174.94 174.55 1ffi s LYS 155 N -2.03 3.88 0.22 0.37 3.01 -1.26 -1.49 119.74 122.44 1ffi s LYS 155 Ca -0.06 0.20 0.02 0.00 -1.01 0.00 0.00 55.97 55.11 1ffi s LYS 155 Cb -0.07 -3.27 -0.05 0.00 -1.01 0.00 0.00 37.83 33.44 1ffi s LYS 155 CO -0.01 0.59 0.04 0.14 0.51 0.00 0.00 175.35 176.62 1ffi s VAL 156 N -0.65 0.69 -0.24 3.17 -7.23 -0.01 -4.63 120.40 111.50 1ffi s VAL 156 Ca 0.20 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.27 1ffi s VAL 156 Cb -0.15 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1ffi s VAL 156 CO 0.09 -0.26 0.14 -0.13 -0.31 0.00 0.00 175.10 174.63 1ffi s ARG 157 N -3.95 4.00 -0.30 4.82 0.52 -0.07 -2.38 118.95 121.58 1ffi s ARG 157 Ca 0.30 -0.31 -0.13 0.00 -0.52 0.00 0.00 55.73 55.07 1ffi s ARG 157 Cb 0.07 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 1ffi s ARG 157 CO 0.09 0.04 0.29 -1.14 0.02 0.00 0.00 175.30 174.60 1ffi s GLN 158 N 1.09 3.79 -0.15 3.54 0.74 0.18 -0.73 119.66 128.11 1ffi s GLN 158 Ca 0.07 -0.30 -0.02 0.00 0.05 0.00 0.00 55.36 55.16 1ffi s GLN 158 Cb -0.14 -3.72 -0.02 0.00 1.10 0.00 0.00 33.01 30.24 1ffi s GLN 158 CO 0.04 -0.34 -0.09 0.71 -0.55 0.00 0.00 175.29 175.07 1ffi s TYR 159 N 1.90 2.90 0.19 1.67 1.51 -0.67 -1.62 117.35 123.23 1ffi s TYR 159 Ca 0.10 -0.62 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 1ffi s TYR 159 Cb -0.16 -1.93 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 1ffi s TYR 159 CO 0.11 -0.24 0.33 -0.51 -1.11 0.00 0.00 175.55 174.13 1ffi s ASP 160 N 0.58 6.34 -1.40 2.29 1.01 -1.26 -0.73 116.67 123.49 1ffi s ASP 160 Ca -0.06 0.17 -0.05 0.00 0.71 0.00 0.00 52.55 53.32 1ffi s ASP 160 Cb -0.15 -1.91 0.03 0.00 1.01 0.00 0.00 42.92 41.90 1ffi s ASP 160 CO 0.03 -0.00 0.79 0.00 0.21 0.00 0.00 175.17 176.19 1ffi n GLN 161 N -0.85 -5.04 -3.35 8.23 6.02 -1.17 -4.89 117.38 116.32 1ffi n GLN 161 Ca -0.07 0.60 -0.38 0.00 -0.01 0.00 0.00 57.00 57.14 1ffi n GLN 161 Cb 0.55 -5.25 -0.06 0.00 1.02 0.00 0.00 30.24 26.50 1ffi n GLN 161 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ffi s ILE 162 N -3.55 5.20 -0.15 5.09 -1.09 -0.00 -4.69 121.20 122.02 1ffi s ILE 162 Ca 0.26 0.89 -0.29 0.00 -2.23 0.00 0.00 60.65 59.27 1ffi s ILE 162 Cb -0.13 -3.79 -0.01 0.00 -1.58 0.00 0.00 42.46 36.96 1ffi s ILE 162 CO 0.82 0.34 1.09 -0.63 -1.23 0.00 0.00 174.94 175.34 1ffi s ILE 163 N 0.54 4.57 -0.08 2.92 1.01 -1.26 -1.21 121.20 127.69 1ffi s ILE 163 Ca 0.24 1.88 -0.05 0.00 0.00 0.00 0.00 60.65 62.72 1ffi s ILE 163 Cb -0.15 -4.21 0.03 0.00 0.01 0.00 0.00 42.46 38.14 1ffi s ILE 163 CO 0.09 -0.08 0.19 -0.51 0.00 0.00 0.00 174.94 174.64 1ffi s ILE 164 N 2.67 -0.02 -0.17 2.92 2.07 -0.01 -4.46 121.20 124.21 1ffi s ILE 164 Ca 0.49 0.08 -0.09 0.00 -1.41 0.00 0.00 60.65 59.72 1ffi s ILE 164 Cb -0.19 -0.29 -0.05 0.00 0.13 0.00 0.00 42.46 42.07 1ffi s ILE 164 CO 0.14 0.03 0.13 -1.61 -1.91 0.00 0.00 174.94 171.72 1ffi s GLU 165 N 0.63 3.87 -0.23 3.50 2.02 -0.12 -0.23 118.70 128.15 1ffi s GLU 165 Ca -0.04 -0.20 0.01 0.00 0.02 0.00 0.00 54.97 54.75 1ffi s GLU 165 Cb -0.06 -3.31 0.06 0.00 0.10 0.00 0.00 34.13 30.92 1ffi s GLU 165 CO -0.03 0.48 -0.06 0.42 0.02 0.00 0.00 175.26 176.08 1ffi s ILE 166 N -0.17 1.56 -1.54 -1.63 1.01 0.11 -0.84 121.20 119.71 1ffi s ILE 166 Ca 0.10 -1.18 -0.11 0.00 0.00 0.00 0.00 60.65 59.46 1ffi s ILE 166 Cb -0.11 -1.79 0.08 0.00 0.01 0.00 0.00 42.46 40.65 1ffi s ILE 166 CO 0.00 -0.04 0.76 0.00 0.00 0.00 0.00 174.94 175.66 1ffi n ALA 167 N 4.67 -1.52 -0.52 9.38 0.00 -0.31 -0.69 120.51 131.51 1ffi n ALA 167 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ffi n ALA 167 Cb 0.44 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.71 1ffi n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ffi n GLY 168 N -1.65 1.39 3.63 0.00 0.00 -1.26 -5.02 105.19 102.27 1ffi n GLY 168 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1ffi n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ffi s HIS 169 N -3.31 3.26 0.08 1.61 4.02 0.13 -5.08 115.29 116.01 1ffi s HIS 169 Ca 0.00 0.08 -0.28 0.00 1.02 0.00 0.00 55.06 55.89 1ffi s HIS 169 Cb 0.00 -2.13 -0.06 0.00 -1.02 0.00 0.00 32.58 29.37 1ffi s HIS 169 CO 0.00 0.11 0.87 0.21 1.02 0.00 0.00 174.74 176.95 1ffi s LYS 170 N 0.59 4.61 0.08 1.40 2.47 -1.26 0.08 119.74 127.71 1ffi s LYS 170 Ca 0.05 1.28 0.02 0.00 -1.56 0.00 0.00 55.97 55.75 1ffi s LYS 170 Cb -0.13 -3.37 -0.04 0.00 -1.46 0.00 0.00 37.83 32.84 1ffi s LYS 170 CO 0.01 0.25 -0.07 0.00 0.16 0.00 0.00 175.35 175.71 1ffi s ALA 171 N -0.05 0.85 -0.20 3.13 0.00 0.68 -4.86 121.76 121.31 1ffi s ALA 171 Ca 0.43 -1.21 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 1ffi s ALA 171 Cb -0.22 0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.12 1ffi s ALA 171 CO 0.27 -0.20 0.14 0.42 0.00 0.00 0.00 175.76 176.39 1ffi s ILE 172 N -3.15 -0.17 0.00 0.00 1.01 -1.26 -0.83 121.20 116.81 1ffi s ILE 172 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1ffi s ILE 172 Cb 0.02 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1ffi s ILE 172 CO -0.04 -0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.20 1ffi n GLY 173 N 5.29 1.92 3.71 6.18 0.00 -0.35 -4.76 105.19 117.18 1ffi n GLY 173 Ca -0.06 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1ffi n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ffi s THR 174 N -2.57 4.11 -0.10 2.61 2.01 -1.26 -0.82 115.64 119.62 1ffi s THR 174 Ca 0.00 1.51 0.01 0.00 0.31 0.00 0.00 61.69 63.52 1ffi s THR 174 Cb 0.00 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.56 1ffi s THR 174 CO 0.00 0.11 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.24 1ffi s VAL 175 N 1.09 1.22 -0.11 3.82 1.01 0.09 -4.50 120.40 123.03 1ffi s VAL 175 Ca 0.58 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.98 1ffi s VAL 175 Cb -0.29 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1ffi s VAL 175 CO 0.29 0.39 0.29 -0.76 0.00 0.00 0.00 175.10 175.30 1ffi s LEU 176 N 1.21 4.34 -0.13 3.92 1.43 0.34 -1.67 118.68 128.13 1ffi s LEU 176 Ca -0.03 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 53.71 1ffi s LEU 176 Cb -0.14 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1ffi s LEU 176 CO -0.04 0.24 -0.20 -0.69 0.23 0.00 0.00 176.35 175.89 1ffi s VAL 177 N -0.33 2.27 -0.01 -1.59 1.01 0.09 0.12 120.40 121.96 1ffi s VAL 177 Ca 0.18 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1ffi s VAL 177 Cb -0.14 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1ffi s VAL 177 CO 0.06 0.54 0.15 0.61 0.00 0.00 0.00 175.10 176.47 1ffi n GLY 178 N 3.85 0.49 2.34 4.51 0.00 -0.66 -0.89 105.19 114.82 1ffi n GLY 178 Ca -0.19 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1ffi n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ffi n PRO 179 N -0.11 1.24 -3.03 1.61 -0.04 -1.26 -3.84 135.00 129.57 1ffi n PRO 179 Ca 0.01 -0.73 -0.39 0.00 -0.04 0.00 0.00 63.50 62.35 1ffi n PRO 179 Cb 0.07 -1.92 -0.06 0.00 -0.04 0.00 0.00 33.50 31.55 1ffi n PRO 179 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1ffi s THR 180 N 2.37 4.47 0.49 0.52 -1.32 -1.26 -4.96 115.64 115.94 1ffi s THR 180 Ca 0.35 1.61 0.17 0.00 -1.21 0.00 0.00 61.69 62.61 1ffi s THR 180 Cb 0.15 -4.10 0.24 0.00 -1.51 0.00 0.00 72.50 67.28 1ffi s THR 180 CO -0.01 0.51 2.08 -0.65 -2.21 0.00 0.00 174.62 174.35 1ffi h PRO 181 N 4.51 0.00 -2.95 7.08 0.11 -1.98 -3.45 132.00 135.32 1ffi h PRO 181 Ca -0.47 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1ffi h PRO 181 Cb 1.21 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.10 1ffi h PRO 181 CO 0.66 0.09 -0.28 0.54 -0.21 0.00 0.00 178.00 178.80 1ffi s VAL 182 N -4.78 0.03 0.06 3.15 0.11 -1.26 -5.10 120.40 112.61 1ffi s VAL 182 Ca -0.04 -0.26 -0.31 0.00 -2.93 0.00 0.00 61.98 58.44 1ffi s VAL 182 Cb 0.16 -0.57 -0.07 0.00 -1.53 0.00 0.00 36.38 34.37 1ffi s VAL 182 CO 0.67 -0.14 1.52 0.20 -3.33 0.00 0.00 175.10 174.02 1ffi s ASN 183 N -0.65 6.71 -0.03 3.54 0.01 -1.26 -4.83 114.94 118.44 1ffi s ASN 183 Ca -0.07 2.35 0.04 0.00 -0.71 0.00 0.00 52.86 54.47 1ffi s ASN 183 Cb -0.04 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 1ffi s ASN 183 CO 0.03 -0.79 -0.15 0.27 -1.51 0.00 0.00 177.10 174.94 1ffi s ILE 184 N 2.19 1.23 -0.37 0.60 -4.36 0.06 -0.73 121.20 119.82 1ffi s ILE 184 Ca 0.69 -0.63 -0.14 0.00 -0.26 0.00 0.00 60.65 60.31 1ffi s ILE 184 Cb -0.37 -1.05 -0.00 0.00 1.25 0.00 0.00 42.46 42.29 1ffi s ILE 184 CO 0.30 0.36 0.30 -0.63 0.24 0.00 0.00 174.94 175.50 1ffi s ILE 185 N -0.08 5.24 0.59 8.37 -1.09 0.70 -1.54 121.20 133.40 1ffi s ILE 185 Ca -0.00 -0.35 -0.01 0.00 -2.23 0.00 0.00 60.65 58.06 1ffi s ILE 185 Cb -0.09 -3.83 0.12 0.00 -1.58 0.00 0.00 42.46 37.08 1ffi s ILE 185 CO 0.01 -0.16 0.81 0.61 -1.23 0.00 0.00 174.94 174.98 1ffi n GLY 186 N 5.10 0.53 0.35 6.18 0.00 -1.09 -0.94 105.19 115.33 1ffi n GLY 186 Ca -0.11 -1.99 0.17 0.00 0.00 0.00 0.00 46.02 44.09 1ffi n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ffi h ARG 187 N 0.00 0.00 -0.88 1.61 3.08 -0.78 -0.87 114.38 116.55 1ffi h ARG 187 Ca -0.27 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.79 1ffi h ARG 187 Cb 0.97 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.98 1ffi h ARG 187 CO 0.28 0.00 0.58 -2.95 -1.07 0.00 0.00 179.97 176.81 1ffi h ASN 188 N 0.00 1.00 0.26 7.04 -1.07 -1.76 -2.00 115.58 119.06 1ffi h ASN 188 Ca 0.16 -0.02 -0.23 0.00 0.07 0.00 0.00 56.30 56.28 1ffi h ASN 188 Cb 0.71 -0.25 -0.04 0.00 -2.07 0.00 0.00 38.32 36.67 1ffi h ASN 188 CO -0.00 0.72 -1.95 0.18 0.07 0.00 0.00 177.43 176.45 1ffi n LEU 189 N -4.41 0.36 -0.09 6.14 4.77 -0.74 -3.98 117.00 119.05 1ffi n LEU 189 Ca 0.10 0.16 -0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1ffi n LEU 189 Cb 0.03 0.24 0.28 0.00 -2.33 0.00 0.00 43.42 41.64 1ffi n LEU 189 CO 0.36 0.29 1.06 -0.07 -1.33 0.00 0.00 177.39 177.71 1ffi h LEU 190 N 0.00 0.66 -0.96 2.23 3.38 -1.04 -1.52 115.31 118.07 1ffi h LEU 190 Ca -0.30 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 1ffi h LEU 190 Cb 1.80 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 1ffi h LEU 190 CO 0.03 0.60 -0.34 0.71 0.09 0.00 0.00 178.44 179.54 1ffi h THR 191 N 0.73 1.28 -0.01 0.22 1.35 -1.52 -0.74 112.91 114.22 1ffi h THR 191 Ca 0.18 -1.38 -0.08 0.00 -0.55 0.00 0.00 66.41 64.57 1ffi h THR 191 Cb 0.14 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1ffi h THR 191 CO -0.02 0.42 -0.38 1.56 -0.25 0.00 0.00 175.52 176.85 1ffi h GLN 192 N 0.30 0.02 -0.28 4.72 4.20 -1.42 -2.51 115.11 120.15 1ffi h GLN 192 Ca 0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1ffi h GLN 192 Cb 0.74 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1ffi h GLN 192 CO 0.06 0.40 0.00 0.44 -0.67 0.00 0.00 178.83 179.06 1ffi n ILE 193 N -4.08 0.36 -2.56 2.54 -5.35 -0.98 -4.95 119.36 104.33 1ffi n ILE 193 Ca -0.02 -0.53 -0.11 0.00 -0.27 0.00 0.00 62.75 61.82 1ffi n ILE 193 Cb 0.42 0.62 0.01 0.00 -1.74 0.00 0.00 39.64 38.95 1ffi n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ffi n GLY 194 N 1.29 0.06 3.76 3.28 0.00 -0.94 -5.01 105.19 107.62 1ffi n GLY 194 Ca 0.17 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1ffi n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffi s ALA 195 N -2.80 3.39 0.08 4.61 0.00 -0.31 -5.03 121.76 121.70 1ffi s ALA 195 Ca 0.13 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.56 1ffi s ALA 195 Cb -0.06 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1ffi s ALA 195 CO 0.16 0.23 -0.06 0.95 0.00 0.00 0.00 175.76 177.04 1ffi s THR 196 N -1.02 0.55 -0.15 0.00 -4.23 -1.26 -4.69 115.64 104.84 1ffi s THR 196 Ca 0.39 -1.78 -0.10 0.00 -1.18 0.00 0.00 61.69 59.02 1ffi s THR 196 Cb -0.24 -1.48 -0.05 0.00 1.34 0.00 0.00 72.50 72.07 1ffi s THR 196 CO 0.28 -0.84 0.18 -0.76 -0.54 0.00 0.00 174.62 172.95 1ffi s LEU 197 N -2.80 4.31 -0.01 4.79 1.43 -1.26 -5.09 118.68 120.04 1ffi s LEU 197 Ca 0.07 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1ffi s LEU 197 Cb 0.04 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 44.10 1ffi s LEU 197 CO -0.05 0.27 -0.03 0.20 0.23 0.00 0.00 176.35 176.97 1ffi s ASN 198 N -0.31 0.44 0.00 2.29 0.01 -1.26 -5.29 114.94 110.82 1ffi s ASN 198 Ca 0.13 -0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 1ffi s ASN 198 Cb -0.12 -0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.43 1ffi s ASN 198 CO 0.03 0.00 0.00 2.22 -1.51 0.00 0.00 177.10 177.84