#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fff s GLN 102 N 0.00 3.84 -0.23 0.54 0.74 -1.26 -5.08 119.66 118.22 1fff s GLN 102 Ca 0.00 -0.39 -0.02 0.00 0.05 0.00 0.00 55.36 55.00 1fff s GLN 102 Cb 0.00 -3.34 0.01 0.00 1.10 0.00 0.00 33.01 30.78 1fff s GLN 102 CO 0.00 0.00 -0.08 0.42 -0.55 0.00 0.00 175.29 175.09 1fff s ILE 103 N 1.13 2.95 0.85 -2.34 1.01 -1.26 -5.11 121.20 118.42 1fff s ILE 103 Ca 0.05 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 1fff s ILE 103 Cb -0.14 -2.39 0.11 0.00 0.01 0.00 0.00 42.46 40.05 1fff s ILE 103 CO 0.04 0.35 1.22 0.42 0.00 0.00 0.00 174.94 176.96 1fff s THR 104 N 1.38 2.01 -0.16 2.92 -4.23 -1.26 -5.03 115.64 111.27 1fff s THR 104 Ca 0.03 -0.01 0.18 0.00 -1.18 0.00 0.00 61.69 60.71 1fff s THR 104 Cb -0.15 -3.00 0.40 0.00 1.34 0.00 0.00 72.50 71.09 1fff s THR 104 CO -0.05 0.00 1.28 0.18 -0.54 0.00 0.00 174.62 175.48 1fff n LEU 105 N -3.43 3.06 0.18 4.79 4.77 -1.26 -4.57 117.00 120.53 1fff n LEU 105 Ca 0.10 -3.10 0.04 0.00 -0.03 0.00 0.00 56.01 53.02 1fff n LEU 105 Cb 0.61 -0.49 0.45 0.00 -2.33 0.00 0.00 43.42 41.66 1fff n LEU 105 CO 0.54 0.73 0.88 -0.50 -1.33 0.00 0.00 177.39 177.70 1fff h TRP 106 N 0.81 0.08 -2.37 -1.77 4.06 -2.06 -3.42 115.95 111.27 1fff h TRP 106 Ca 0.01 -0.01 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 1fff h TRP 106 Cb 1.21 -0.02 -0.14 0.00 -1.00 0.00 0.00 29.16 29.20 1fff h TRP 106 CO 0.26 0.27 -0.75 0.15 -3.56 0.00 0.00 178.44 174.80 1fff s LYS 107 N -4.62 1.59 0.25 0.49 1.02 -1.26 -5.10 119.74 112.12 1fff s LYS 107 Ca -0.04 -1.73 -0.31 0.00 0.02 0.00 0.00 55.97 53.91 1fff s LYS 107 Cb 0.15 -1.60 -0.12 0.00 -0.52 0.00 0.00 37.83 35.74 1fff s LYS 107 CO 0.71 0.29 1.59 0.54 -0.92 0.00 0.00 175.35 177.56 1fff n ARG 108 N -0.56 2.54 -1.40 1.68 1.74 -1.26 -4.84 116.66 114.55 1fff n ARG 108 Ca -0.06 0.91 -0.43 0.00 -0.77 0.00 0.00 57.85 57.50 1fff n ARG 108 Cb 0.60 -2.68 -0.03 0.00 -1.02 0.00 0.00 32.46 29.33 1fff n ARG 108 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1fff n PRO 109 N 2.67 2.08 -3.31 5.56 -0.04 -1.26 -4.93 135.00 135.77 1fff n PRO 109 Ca 0.12 -2.17 -0.38 0.00 -0.04 0.00 0.00 63.50 61.03 1fff n PRO 109 Cb 0.34 -3.07 -0.06 0.00 -0.04 0.00 0.00 33.50 30.67 1fff n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fff s LEU 110 N 1.60 4.51 0.15 1.53 1.43 -1.26 -0.78 118.68 125.86 1fff s LEU 110 Ca 0.53 1.21 -0.01 0.00 -1.03 0.00 0.00 54.13 54.84 1fff s LEU 110 Cb 0.14 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1fff s LEU 110 CO 0.03 0.27 0.06 0.68 0.23 0.00 0.00 176.35 177.61 1fff s VAL 111 N -1.14 0.19 -0.01 -1.59 -7.23 0.98 -4.95 120.40 106.64 1fff s VAL 111 Ca 0.29 -1.93 -0.15 0.00 -1.81 0.00 0.00 61.98 58.38 1fff s VAL 111 Cb -0.19 -2.13 -0.06 0.00 0.56 0.00 0.00 36.38 34.57 1fff s VAL 111 CO 0.18 -0.40 0.40 -0.89 -0.31 0.00 0.00 175.10 174.08 1fff s THR 112 N -4.00 5.06 0.27 5.32 2.01 -1.26 -0.27 115.64 122.77 1fff s THR 112 Ca 0.26 0.81 0.07 0.00 0.31 0.00 0.00 61.69 63.14 1fff s THR 112 Cb 0.07 -3.70 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 1fff s THR 112 CO 0.04 0.57 -0.07 0.27 -0.69 0.00 0.00 174.62 174.74 1fff s ILE 113 N -0.97 1.62 -0.16 1.82 -4.36 0.16 -1.52 121.20 117.78 1fff s ILE 113 Ca 0.23 -2.13 -0.01 0.00 -0.26 0.00 0.00 60.65 58.48 1fff s ILE 113 Cb -0.16 -2.39 0.05 0.00 1.25 0.00 0.00 42.46 41.20 1fff s ILE 113 CO 0.13 -0.34 -0.01 -0.75 0.24 0.00 0.00 174.94 174.20 1fff s LYS 114 N -3.73 1.03 -0.03 0.37 2.20 -0.36 -1.06 119.74 118.15 1fff s LYS 114 Ca 0.28 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.50 1fff s LYS 114 Cb 0.03 -1.91 0.01 0.00 -1.51 0.00 0.00 37.83 34.46 1fff s LYS 114 CO 0.11 -0.49 -0.05 -1.50 -0.36 0.00 0.00 175.35 173.05 1fff s ILE 115 N 1.75 0.54 -1.11 5.43 2.07 -0.21 -1.74 121.20 127.92 1fff s ILE 115 Ca 0.00 -0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 1fff s ILE 115 Cb -0.16 -0.53 0.00 0.00 0.13 0.00 0.00 42.46 41.90 1fff s ILE 115 CO -0.07 0.20 0.00 0.61 -1.91 0.00 0.00 174.94 173.77 1fff n GLY 116 N 3.72 1.07 1.78 1.50 0.00 -1.26 -0.34 105.19 111.67 1fff n GLY 116 Ca -0.22 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1fff n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fff n GLY 117 N -0.40 1.09 3.67 -0.02 0.00 -1.26 -4.97 105.19 103.28 1fff n GLY 117 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1fff n GLY 117 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fff s GLN 118 N -0.41 3.78 0.29 1.61 0.74 0.53 -5.07 119.66 121.13 1fff s GLN 118 Ca 0.00 -0.33 -0.28 0.00 0.05 0.00 0.00 55.36 54.80 1fff s GLN 118 Cb 0.00 -3.15 -0.09 0.00 1.10 0.00 0.00 33.01 30.87 1fff s GLN 118 CO 0.00 0.39 0.96 -0.51 -0.55 0.00 0.00 175.29 175.58 1fff s LEU 119 N 0.03 4.49 0.19 3.68 1.43 -1.26 -1.05 118.68 126.19 1fff s LEU 119 Ca 0.06 1.93 -0.11 0.00 -1.03 0.00 0.00 54.13 54.98 1fff s LEU 119 Cb -0.12 -3.81 -0.00 0.00 0.03 0.00 0.00 46.19 42.29 1fff s LEU 119 CO 0.01 0.01 0.36 -0.54 0.23 0.00 0.00 176.35 176.42 1fff s LYS 120 N -1.63 1.28 -0.12 1.70 1.02 -0.23 -4.97 119.74 116.79 1fff s LYS 120 Ca 0.46 -1.15 -0.04 0.00 0.02 0.00 0.00 55.97 55.26 1fff s LYS 120 Cb -0.23 0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 37.46 1fff s LYS 120 CO 0.29 -0.49 0.03 -2.00 -0.92 0.00 0.00 175.35 172.26 1fff s GLU 121 N -3.97 3.35 0.03 1.68 2.12 -1.26 0.35 118.70 121.00 1fff s GLU 121 Ca 0.18 -0.36 -0.01 0.00 0.36 0.00 0.00 54.97 55.13 1fff s GLU 121 Cb 0.02 -2.96 -0.02 0.00 0.26 0.00 0.00 34.13 31.43 1fff s GLU 121 CO 0.02 0.57 -0.01 0.00 -0.54 0.00 0.00 175.26 175.30 1fff s ALA 122 N -0.49 0.21 -0.23 6.30 0.00 0.62 -4.55 121.76 123.62 1fff s ALA 122 Ca 0.09 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 1fff s ALA 122 Cb -0.12 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 1fff s ALA 122 CO 0.02 -0.25 0.22 -1.17 0.00 0.00 0.00 175.76 174.59 1fff s LEU 123 N -1.99 4.13 -0.44 0.00 2.96 0.15 -0.01 118.68 123.47 1fff s LEU 123 Ca -0.08 0.22 -0.28 0.00 -0.22 0.00 0.00 54.13 53.77 1fff s LEU 123 Cb -0.03 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.45 1fff s LEU 123 CO -0.04 0.03 1.47 -0.76 -1.32 0.00 0.00 176.35 175.73 1fff s LEU 124 N 1.11 3.53 -0.38 -0.68 1.43 0.04 -0.91 118.68 122.82 1fff s LEU 124 Ca 0.11 0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 53.94 1fff s LEU 124 Cb -0.14 -3.41 0.10 0.00 0.03 0.00 0.00 46.19 42.77 1fff s LEU 124 CO 0.05 -1.55 0.16 -0.62 0.23 0.00 0.00 176.35 174.62 1fff s ASP 125 N 4.41 5.17 0.32 2.29 -1.08 -0.22 -4.80 116.67 122.76 1fff s ASP 125 Ca 0.62 -1.88 0.26 0.00 -0.52 0.00 0.00 52.55 51.03 1fff s ASP 125 Cb -0.14 -1.80 1.04 0.00 -1.46 0.00 0.00 42.92 40.56 1fff s ASP 125 CO 0.31 -0.48 1.77 0.71 0.52 0.00 0.00 175.17 178.00 1fff h THR 126 N 6.38 0.00 -0.34 1.71 1.35 -1.93 -2.67 112.91 117.42 1fff h THR 126 Ca -0.14 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1fff h THR 126 Cb 1.05 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1fff h THR 126 CO 0.66 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.54 1fff n GLY 127 N 0.10 0.94 3.40 5.82 0.00 -1.26 -4.83 105.19 109.36 1fff n GLY 127 Ca 0.02 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 1fff n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fff s ALA 128 N -1.56 2.80 0.18 4.61 0.00 -1.01 -4.99 121.76 121.80 1fff s ALA 128 Ca 0.33 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 1fff s ALA 128 Cb 0.18 -1.46 0.08 0.00 0.00 0.00 0.00 23.12 21.92 1fff s ALA 128 CO 0.25 0.05 1.54 -0.44 0.00 0.00 0.00 175.76 177.16 1fff h ASP 129 N 7.08 0.83 -1.69 0.00 3.32 -1.88 -0.10 116.42 123.98 1fff h ASP 129 Ca -0.32 -0.36 -0.59 0.00 0.02 0.00 0.00 57.03 55.78 1fff h ASP 129 Cb 1.19 -0.23 -0.10 0.00 0.22 0.00 0.00 39.33 40.41 1fff h ASP 129 CO 0.59 1.11 -0.56 0.20 -1.72 0.00 0.00 179.24 178.86 1fff s ASN 130 N -6.83 4.19 -0.26 6.45 0.01 -1.26 -2.74 114.94 114.49 1fff s ASN 130 Ca -0.09 -1.16 -0.11 0.00 -0.71 0.00 0.00 52.86 50.79 1fff s ASN 130 Cb 0.12 -0.46 -0.05 0.00 0.41 0.00 0.00 41.25 41.27 1fff s ASN 130 CO 0.85 -0.44 0.19 -0.89 -1.51 0.00 0.00 177.10 175.30 1fff s THR 131 N -2.62 5.32 -0.15 1.60 2.01 -1.26 -2.95 115.64 117.59 1fff s THR 131 Ca 0.38 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.58 1fff s THR 131 Cb 0.05 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1fff s THR 131 CO 0.20 0.28 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 1fff s VAL 132 N 1.52 1.77 -0.00 3.82 1.01 -0.49 -1.05 120.40 126.98 1fff s VAL 132 Ca 0.08 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1fff s VAL 132 Cb -0.15 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1fff s VAL 132 CO 0.09 0.49 -0.07 -0.63 0.00 0.00 0.00 175.10 174.98 1fff s ILE 133 N 1.32 3.64 0.97 2.22 -1.09 0.85 -0.88 121.20 128.23 1fff s ILE 133 Ca 0.03 -0.76 -0.12 0.00 -2.23 0.00 0.00 60.65 57.57 1fff s ILE 133 Cb -0.13 -2.58 0.10 0.00 -1.58 0.00 0.00 42.46 38.27 1fff s ILE 133 CO -0.10 0.41 0.66 -1.84 -1.23 0.00 0.00 174.94 172.84 1fff n GLU 134 N 1.60 -0.61 -1.66 2.79 0.28 -1.26 -1.31 120.64 120.47 1fff n GLU 134 Ca -0.16 -0.13 -0.46 0.00 -0.16 0.00 0.00 57.16 56.25 1fff n GLU 134 Cb 0.53 -2.04 -0.04 0.00 1.43 0.00 0.00 31.44 31.32 1fff n GLU 134 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1fff n GLU 135 N -2.81 2.02 -3.76 3.44 -0.58 -1.12 -4.47 120.64 113.36 1fff n GLU 135 Ca 0.08 0.73 -0.05 0.00 -0.42 0.00 0.00 57.16 57.49 1fff n GLU 135 Cb 0.54 -2.46 -0.02 0.00 -0.57 0.00 0.00 31.44 28.93 1fff n GLU 135 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fff s MET 136 N 0.61 1.32 -0.18 3.49 0.23 -1.26 -5.03 119.30 118.48 1fff s MET 136 Ca 0.77 -0.71 -0.19 0.00 -1.03 0.00 0.00 55.69 54.53 1fff s MET 136 Cb -0.70 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.03 1fff s MET 136 CO 0.41 -0.60 0.53 -1.12 -2.03 0.00 0.00 175.02 172.20 1fff s SER 137 N -2.90 6.61 -0.07 -1.18 0.01 -1.26 -5.05 113.70 109.85 1fff s SER 137 Ca 0.11 0.73 0.02 0.00 1.31 0.00 0.00 55.95 58.12 1fff s SER 137 Cb -0.02 -2.30 0.02 0.00 0.21 0.00 0.00 66.02 63.92 1fff s SER 137 CO 0.02 -0.15 -0.09 -0.22 0.41 0.00 0.00 173.24 173.21 1fff s LEU 138 N 1.45 1.49 0.17 2.44 2.96 -1.26 -4.94 118.68 120.99 1fff s LEU 138 Ca 0.25 -0.25 -0.32 0.00 -0.22 0.00 0.00 54.13 53.59 1fff s LEU 138 Cb -0.15 -0.73 -0.10 0.00 0.50 0.00 0.00 46.19 45.71 1fff s LEU 138 CO 0.10 -0.01 1.59 -2.84 -1.32 0.00 0.00 176.35 173.87 1fff s PRO 139 N 0.89 4.20 0.00 0.98 0.02 -1.26 -4.89 135.00 134.94 1fff s PRO 139 Ca -0.11 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1fff s PRO 139 Cb -0.15 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1fff s PRO 139 CO 0.01 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 1fff n GLY 140 N 3.79 2.73 3.81 0.52 0.00 -1.26 -5.08 105.19 109.70 1fff n GLY 140 Ca 0.14 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 1fff n GLY 140 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fff s ARG 141 N -1.94 4.31 0.06 1.61 3.52 -1.26 -5.08 118.95 120.16 1fff s ARG 141 Ca 0.00 1.02 -0.04 0.00 -0.13 0.00 0.00 55.73 56.58 1fff s ARG 141 Cb 0.00 -2.66 -0.02 0.00 -1.56 0.00 0.00 34.95 30.71 1fff s ARG 141 CO 0.00 0.24 0.06 1.67 -0.81 0.00 0.00 175.30 176.46 1fff s TRP 142 N -1.75 0.35 -0.02 5.12 1.48 -1.26 -4.39 118.94 118.47 1fff s TRP 142 Ca 0.50 -0.83 0.02 0.00 -1.06 0.00 0.00 56.10 54.74 1fff s TRP 142 Cb -0.15 -0.25 0.00 0.00 -1.16 0.00 0.00 33.47 31.92 1fff s TRP 142 CO 0.20 -0.43 -0.08 -1.59 -4.06 0.00 0.00 176.95 170.98 1fff s LYS 143 N -3.70 0.87 0.28 3.25 -2.85 -0.58 -4.88 119.74 112.14 1fff s LYS 143 Ca 0.04 -0.29 -0.30 0.00 -1.00 0.00 0.00 55.97 54.43 1fff s LYS 143 Cb 0.06 -0.82 -0.12 0.00 -2.06 0.00 0.00 37.83 34.88 1fff s LYS 143 CO -0.10 0.12 1.56 -2.30 0.10 0.00 0.00 175.35 174.73 1fff n PRO 144 N 3.23 2.57 -3.99 1.78 -0.02 -1.26 -0.26 135.00 137.05 1fff n PRO 144 Ca -0.17 0.92 -0.09 0.00 -2.02 0.00 0.00 63.50 62.13 1fff n PRO 144 Cb 0.55 -2.67 -0.08 0.00 -0.02 0.00 0.00 33.50 31.28 1fff n PRO 144 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1fff s LYS 145 N -0.47 1.05 -0.07 -0.52 2.47 0.07 -4.85 119.74 117.41 1fff s LYS 145 Ca 0.65 -1.21 0.02 0.00 -1.56 0.00 0.00 55.97 53.87 1fff s LYS 145 Cb -0.53 0.34 0.02 0.00 -1.46 0.00 0.00 37.83 36.20 1fff s LYS 145 CO 0.49 -0.36 -0.11 -1.64 0.16 0.00 0.00 175.35 173.89 1fff s MET 146 N -3.97 1.64 0.25 4.03 -1.94 -1.26 -0.50 119.30 117.55 1fff s MET 146 Ca 0.17 -0.38 0.10 0.00 -1.71 0.00 0.00 55.69 53.87 1fff s MET 146 Cb 0.05 -1.41 -0.05 0.00 2.01 0.00 0.00 34.83 35.43 1fff s MET 146 CO -0.01 -0.02 -0.16 0.96 -0.01 0.00 0.00 175.02 175.78 1fff s ILE 147 N 0.84 2.09 0.12 2.53 -4.36 -0.75 -4.97 121.20 116.70 1fff s ILE 147 Ca -0.11 -2.29 0.08 0.00 -0.26 0.00 0.00 60.65 58.07 1fff s ILE 147 Cb -0.15 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 41.28 1fff s ILE 147 CO 0.02 -0.45 -0.21 -0.83 0.24 0.00 0.00 174.94 173.71 1fff s GLY 148 N -3.43 1.30 0.00 6.27 0.00 -1.26 -0.85 107.32 109.34 1fff s GLY 148 Ca 0.27 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1fff s GLY 148 CO 0.12 -1.33 0.00 0.61 0.00 0.00 0.00 173.10 172.50 1fff n GLY 149 N 0.90 5.74 0.21 0.20 0.00 0.04 -4.99 105.19 107.30 1fff n GLY 149 Ca -0.18 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1fff n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1fff h ILE 150 N 0.00 1.26 -0.01 -0.61 6.09 -2.01 -3.21 117.51 119.01 1fff h ILE 150 Ca 0.00 -1.23 0.00 0.00 -1.37 0.00 0.00 64.86 62.26 1fff h ILE 150 Cb 0.00 1.53 0.00 0.00 0.47 0.00 0.00 36.82 38.82 1fff h ILE 150 CO 0.00 0.37 -0.59 0.61 -3.07 0.00 0.00 178.15 175.47 1fff n GLY 151 N -0.47 -0.23 0.00 8.18 0.00 -1.26 -5.08 105.19 106.33 1fff n GLY 151 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1fff n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fff n GLY 152 N 1.40 0.27 3.79 -0.02 0.00 -1.21 -5.12 105.19 104.29 1fff n GLY 152 Ca 0.07 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.11 1fff n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fff s PHE 153 N -2.64 3.35 0.10 1.61 0.40 -1.26 -0.78 117.98 118.75 1fff s PHE 153 Ca 0.00 0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.66 1fff s PHE 153 Cb 0.00 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 1fff s PHE 153 CO 0.00 0.58 -0.11 0.96 0.70 0.00 0.00 175.22 177.35 1fff s ILE 154 N -1.07 0.99 -0.01 0.64 -4.36 -0.03 -4.98 121.20 112.37 1fff s ILE 154 Ca 0.18 -1.59 -0.21 0.00 -0.26 0.00 0.00 60.65 58.77 1fff s ILE 154 Cb -0.12 -1.32 -0.05 0.00 1.25 0.00 0.00 42.46 42.22 1fff s ILE 154 CO 0.08 -0.50 0.62 -0.54 0.24 0.00 0.00 174.94 174.85 1fff s LYS 155 N -2.62 4.36 0.12 0.37 1.02 -1.26 -1.81 119.74 119.91 1fff s LYS 155 Ca 0.05 0.78 0.02 0.00 0.02 0.00 0.00 55.97 56.84 1fff s LYS 155 Cb -0.04 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1fff s LYS 155 CO 0.01 0.30 -0.06 0.14 -0.92 0.00 0.00 175.35 174.81 1fff s VAL 156 N 0.02 0.79 -0.28 3.17 -7.23 0.35 -4.45 120.40 112.77 1fff s VAL 156 Ca 0.33 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 1fff s VAL 156 Cb -0.18 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 1fff s VAL 156 CO 0.18 -0.80 0.21 -0.13 -0.31 0.00 0.00 175.10 174.24 1fff s ARG 157 N -3.83 3.96 -0.25 4.82 0.52 0.25 -0.76 118.95 123.67 1fff s ARG 157 Ca 0.14 -0.28 -0.20 0.00 -0.52 0.00 0.00 55.73 54.88 1fff s ARG 157 Cb 0.05 -3.65 -0.02 0.00 0.52 0.00 0.00 34.95 31.84 1fff s ARG 157 CO -0.03 -0.18 0.59 -1.14 0.02 0.00 0.00 175.30 174.56 1fff s GLN 158 N 1.77 4.12 -0.21 3.54 0.74 0.64 -1.20 119.66 129.06 1fff s GLN 158 Ca 0.08 0.48 -0.04 0.00 0.05 0.00 0.00 55.36 55.93 1fff s GLN 158 Cb -0.16 -3.64 -0.02 0.00 1.10 0.00 0.00 33.01 30.30 1fff s GLN 158 CO 0.11 -0.36 -0.02 0.71 -0.55 0.00 0.00 175.29 175.18 1fff s TYR 159 N 2.33 2.99 0.26 1.67 1.51 -0.09 -1.52 117.35 124.49 1fff s TYR 159 Ca 0.25 -0.68 -0.04 0.00 -1.01 0.00 0.00 57.07 55.59 1fff s TYR 159 Cb -0.16 -2.09 -0.05 0.00 -0.11 0.00 0.00 41.96 39.55 1fff s TYR 159 CO 0.09 -0.39 0.51 -0.51 -1.11 0.00 0.00 175.55 174.13 1fff s ASP 160 N 1.24 6.43 -1.52 2.29 1.01 -1.26 -0.89 116.67 123.98 1fff s ASP 160 Ca 0.03 0.63 -0.09 0.00 0.71 0.00 0.00 52.55 53.84 1fff s ASP 160 Cb -0.14 -2.11 0.07 0.00 1.01 0.00 0.00 42.92 41.74 1fff s ASP 160 CO -0.00 -0.15 0.68 1.67 0.21 0.00 0.00 175.17 177.59 1fff n GLN 161 N -0.82 -3.91 -3.01 8.23 7.27 -1.18 -4.87 117.38 119.09 1fff n GLN 161 Ca -0.02 0.46 -0.40 0.00 0.07 0.00 0.00 57.00 57.11 1fff n GLN 161 Cb 0.54 -4.98 -0.05 0.00 2.41 0.00 0.00 30.24 28.16 1fff n GLN 161 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1fff s ILE 162 N -3.58 4.93 -0.14 1.69 -1.09 0.71 -4.60 121.20 119.11 1fff s ILE 162 Ca 0.37 1.54 -0.27 0.00 -2.23 0.00 0.00 60.65 60.07 1fff s ILE 162 Cb -0.20 -4.08 -0.01 0.00 -1.58 0.00 0.00 42.46 36.59 1fff s ILE 162 CO 0.88 0.29 0.89 -0.63 -1.23 0.00 0.00 174.94 175.14 1fff s ILE 163 N 0.49 4.85 -0.05 2.92 1.01 -1.26 -1.08 121.20 128.08 1fff s ILE 163 Ca 0.39 1.78 -0.03 0.00 0.00 0.00 0.00 60.65 62.79 1fff s ILE 163 Cb -0.19 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.10 1fff s ILE 163 CO 0.20 0.03 0.11 -0.51 0.00 0.00 0.00 174.94 174.78 1fff s ILE 164 N 2.03 -0.02 -0.23 2.92 2.07 0.17 -4.49 121.20 123.65 1fff s ILE 164 Ca 0.42 0.08 -0.10 0.00 -1.41 0.00 0.00 60.65 59.65 1fff s ILE 164 Cb -0.17 -0.18 -0.05 0.00 0.13 0.00 0.00 42.46 42.19 1fff s ILE 164 CO 0.15 0.03 0.13 -0.70 -1.91 0.00 0.00 174.94 172.64 1fff s GLU 165 N 0.54 4.01 -0.30 3.50 2.12 -0.71 -0.72 118.70 127.14 1fff s GLU 165 Ca -0.04 -0.30 -0.01 0.00 0.36 0.00 0.00 54.97 54.98 1fff s GLU 165 Cb -0.06 -3.45 0.06 0.00 0.26 0.00 0.00 34.13 30.94 1fff s GLU 165 CO -0.02 0.08 -0.01 0.42 -0.54 0.00 0.00 175.26 175.19 1fff s ILE 166 N 0.97 2.85 -1.54 -3.70 1.01 0.31 -1.23 121.20 119.87 1fff s ILE 166 Ca 0.06 -1.49 -0.12 0.00 0.00 0.00 0.00 60.65 59.11 1fff s ILE 166 Cb -0.13 -2.67 0.09 0.00 0.01 0.00 0.00 42.46 39.75 1fff s ILE 166 CO 0.03 -0.14 0.86 0.00 0.00 0.00 0.00 174.94 175.69 1fff n ALA 167 N 4.58 -1.43 -0.25 9.38 0.00 -0.58 -0.56 120.51 131.66 1fff n ALA 167 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1fff n ALA 167 Cb 0.43 -3.70 0.00 0.00 0.00 0.00 0.00 19.45 16.18 1fff n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fff n GLY 168 N -1.64 1.55 3.66 0.00 0.00 -1.26 -5.03 105.19 102.47 1fff n GLY 168 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1fff n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fff s HIS 169 N -2.91 3.27 0.16 1.61 4.02 0.28 -5.09 115.29 116.64 1fff s HIS 169 Ca 0.00 0.12 -0.24 0.00 1.02 0.00 0.00 55.06 55.96 1fff s HIS 169 Cb 0.00 -2.05 -0.08 0.00 -1.02 0.00 0.00 32.58 29.43 1fff s HIS 169 CO 0.00 0.22 0.74 0.21 1.02 0.00 0.00 174.74 176.94 1fff s LYS 170 N 0.17 4.47 0.04 1.40 2.20 -1.26 0.11 119.74 126.88 1fff s LYS 170 Ca 0.05 1.06 -0.04 0.00 -0.36 0.00 0.00 55.97 56.68 1fff s LYS 170 Cb -0.12 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 1fff s LYS 170 CO 0.00 0.55 0.05 0.00 -0.36 0.00 0.00 175.35 175.59 1fff s ALA 171 N -1.21 0.10 -0.23 3.13 0.00 0.10 -4.74 121.76 118.91 1fff s ALA 171 Ca 0.36 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 1fff s ALA 171 Cb -0.22 0.25 0.09 0.00 0.00 0.00 0.00 23.12 23.25 1fff s ALA 171 CO 0.24 -0.31 0.18 0.42 0.00 0.00 0.00 175.76 176.29 1fff s ILE 172 N -2.81 -0.21 0.00 0.00 1.01 -1.25 -0.66 121.20 117.28 1fff s ILE 172 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1fff s ILE 172 Cb -0.00 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.69 1fff s ILE 172 CO -0.06 -0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.09 1fff n GLY 173 N 5.29 2.03 3.69 6.18 0.00 -0.24 -4.73 105.19 117.41 1fff n GLY 173 Ca -0.05 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1fff n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fff s THR 174 N -2.63 3.88 -0.10 2.61 2.01 -1.26 -0.21 115.64 119.94 1fff s THR 174 Ca 0.00 1.27 0.01 0.00 0.31 0.00 0.00 61.69 63.29 1fff s THR 174 Cb 0.00 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.71 1fff s THR 174 CO 0.00 0.02 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.14 1fff s VAL 175 N 2.02 1.24 -0.19 3.82 1.01 -0.07 -4.43 120.40 123.81 1fff s VAL 175 Ca 0.61 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 1fff s VAL 175 Cb -0.30 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1fff s VAL 175 CO 0.26 0.39 0.14 -0.76 0.00 0.00 0.00 175.10 175.12 1fff s LEU 176 N 1.08 4.24 -0.16 3.92 1.43 -0.21 -0.91 118.68 128.06 1fff s LEU 176 Ca -0.06 0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1fff s LEU 176 Cb -0.15 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1fff s LEU 176 CO -0.02 0.22 -0.12 -0.69 0.23 0.00 0.00 176.35 175.97 1fff s VAL 177 N 0.13 2.93 0.01 -1.59 1.01 -0.34 -0.11 120.40 122.44 1fff s VAL 177 Ca 0.09 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1fff s VAL 177 Cb -0.11 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.03 1fff s VAL 177 CO -0.01 0.50 0.30 0.61 0.00 0.00 0.00 175.10 176.49 1fff n GLY 178 N 4.10 0.72 2.68 4.51 0.00 -0.43 -0.58 105.19 116.20 1fff n GLY 178 Ca -0.19 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 1fff n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fff n PRO 179 N -0.21 2.17 -3.43 1.61 -0.04 -1.26 -2.79 135.00 131.05 1fff n PRO 179 Ca 0.01 -1.66 -0.38 0.00 -0.04 0.00 0.00 63.50 61.42 1fff n PRO 179 Cb 0.14 -2.62 -0.06 0.00 -0.04 0.00 0.00 33.50 30.92 1fff n PRO 179 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1fff s THR 180 N 3.60 4.95 0.43 0.52 -1.32 -1.26 -4.98 115.64 117.58 1fff s THR 180 Ca 0.46 0.95 0.19 0.00 -1.21 0.00 0.00 61.69 62.09 1fff s THR 180 Cb 0.12 -3.77 0.21 0.00 -1.51 0.00 0.00 72.50 67.55 1fff s THR 180 CO -0.01 0.56 2.00 1.55 -2.21 0.00 0.00 174.62 176.51 1fff h PRO 181 N 4.77 0.00 -3.85 7.08 0.13 -1.98 -3.43 132.00 134.72 1fff h PRO 181 Ca -0.50 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.43 1fff h PRO 181 Cb 1.22 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1fff h PRO 181 CO 0.63 0.18 -0.71 0.08 -0.23 0.00 0.00 178.00 177.95 1fff s VAL 182 N -4.43 0.06 -0.03 1.56 1.01 -1.26 -5.09 120.40 112.22 1fff s VAL 182 Ca -0.03 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 1fff s VAL 182 Cb 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.34 1fff s VAL 182 CO 0.66 -0.26 1.27 0.20 0.00 0.00 0.00 175.10 176.98 1fff s ASN 183 N -0.75 6.98 -0.04 3.32 0.01 -1.26 -4.76 114.94 118.44 1fff s ASN 183 Ca -0.08 1.94 0.05 0.00 -0.71 0.00 0.00 52.86 54.05 1fff s ASN 183 Cb -0.05 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 1fff s ASN 183 CO -0.00 -0.63 -0.18 0.27 -1.51 0.00 0.00 177.10 175.05 1fff s ILE 184 N 2.19 1.47 -0.43 0.60 -4.36 -0.06 -0.68 121.20 119.94 1fff s ILE 184 Ca 0.59 -0.75 -0.16 0.00 -0.26 0.00 0.00 60.65 60.07 1fff s ILE 184 Cb -0.27 -1.25 0.03 0.00 1.25 0.00 0.00 42.46 42.21 1fff s ILE 184 CO 0.24 0.42 0.36 -0.63 0.24 0.00 0.00 174.94 175.57 1fff s ILE 185 N -0.06 5.20 0.69 8.37 -1.09 -0.09 -1.40 121.20 132.82 1fff s ILE 185 Ca -0.02 -0.65 -0.06 0.00 -2.23 0.00 0.00 60.65 57.69 1fff s ILE 185 Cb -0.11 -4.00 0.15 0.00 -1.58 0.00 0.00 42.46 36.92 1fff s ILE 185 CO 0.02 -0.40 0.94 0.61 -1.23 0.00 0.00 174.94 174.88 1fff n GLY 186 N 5.16 -0.27 0.29 6.18 0.00 -1.15 -1.06 105.19 114.33 1fff n GLY 186 Ca -0.10 -1.88 0.11 0.00 0.00 0.00 0.00 46.02 44.15 1fff n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fff h ARG 187 N 0.00 0.00 -0.19 1.61 3.08 -1.02 -0.38 114.38 117.48 1fff h ARG 187 Ca -0.31 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.76 1fff h ARG 187 Cb 0.99 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 1fff h ARG 187 CO 0.27 0.00 0.13 -2.95 -1.07 0.00 0.00 179.97 176.35 1fff h ASN 188 N 0.00 0.14 0.00 7.04 -1.07 -1.78 -1.53 115.58 118.39 1fff h ASN 188 Ca 0.04 -0.00 -0.27 0.00 0.07 0.00 0.00 56.30 56.14 1fff h ASN 188 Cb 0.17 -0.03 -0.05 0.00 -2.07 0.00 0.00 38.32 36.34 1fff h ASN 188 CO -0.00 0.10 -2.16 0.18 0.07 0.00 0.00 177.43 175.63 1fff n LEU 189 N -4.51 0.00 -0.17 6.14 4.77 -0.79 -4.19 117.00 118.25 1fff n LEU 189 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1fff n LEU 189 Cb 0.14 0.37 0.21 0.00 -2.33 0.00 0.00 43.42 41.81 1fff n LEU 189 CO 0.35 0.37 1.10 -0.07 -1.33 0.00 0.00 177.39 177.80 1fff h LEU 190 N 0.00 0.82 -0.97 2.23 3.38 -0.85 -2.04 115.31 117.87 1fff h LEU 190 Ca -0.40 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.39 1fff h LEU 190 Cb 1.90 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 1fff h LEU 190 CO 0.02 0.70 -0.20 0.71 0.09 0.00 0.00 178.44 179.76 1fff h THR 191 N 0.90 1.25 -0.37 0.22 1.35 -1.49 -1.36 112.91 113.42 1fff h THR 191 Ca 0.22 -1.18 -0.04 0.00 -0.55 0.00 0.00 66.41 64.85 1fff h THR 191 Cb 0.11 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 1fff h THR 191 CO -0.03 0.38 0.05 1.56 -0.25 0.00 0.00 175.52 177.23 1fff h GLN 192 N 0.46 0.56 -0.22 4.72 4.20 -1.54 -2.16 115.11 121.13 1fff h GLN 192 Ca 0.07 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1fff h GLN 192 Cb 0.61 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1fff h GLN 192 CO 0.04 0.55 0.00 0.44 -0.67 0.00 0.00 178.83 179.19 1fff n ILE 193 N -4.30 0.28 -2.04 2.54 -5.35 -1.05 -4.94 119.36 104.50 1fff n ILE 193 Ca 0.02 -0.42 -0.04 0.00 -0.27 0.00 0.00 62.75 62.04 1fff n ILE 193 Cb 0.22 0.45 -0.00 0.00 -1.74 0.00 0.00 39.64 38.57 1fff n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fff n GLY 194 N 1.18 0.23 3.74 3.28 0.00 -0.81 -5.02 105.19 107.78 1fff n GLY 194 Ca 0.16 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1fff n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fff s ALA 195 N -2.18 3.32 0.05 4.61 0.00 -0.53 -5.03 121.76 121.99 1fff s ALA 195 Ca 0.00 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.66 1fff s ALA 195 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1fff s ALA 195 CO 0.00 -0.02 -0.07 0.95 0.00 0.00 0.00 175.76 176.62 1fff s THR 196 N -0.50 0.48 -0.11 0.00 -4.23 -1.26 -4.69 115.64 105.34 1fff s THR 196 Ca 0.46 -1.19 -0.14 0.00 -1.18 0.00 0.00 61.69 59.65 1fff s THR 196 Cb -0.27 -0.72 -0.05 0.00 1.34 0.00 0.00 72.50 72.81 1fff s THR 196 CO 0.33 -0.48 0.32 -0.76 -0.54 0.00 0.00 174.62 173.49 1fff s LEU 197 N -1.79 4.33 0.01 4.79 1.43 -1.26 -5.08 118.68 121.11 1fff s LEU 197 Ca -0.08 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 1fff s LEU 197 Cb -0.07 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 1fff s LEU 197 CO -0.01 0.20 -0.06 0.20 0.23 0.00 0.00 176.35 176.91 1fff s ASN 198 N -0.16 0.66 0.00 2.29 0.01 -1.26 -5.30 114.94 111.19 1fff s ASN 198 Ca 0.19 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 52.09 1fff s ASN 198 Cb -0.14 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.49 1fff s ASN 198 CO 0.07 -0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.84