#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fad n ALA 90 N 0.00 -3.74 -1.72 0.00 0.00 -1.26 -4.79 120.51 109.00 1fad n ALA 90 Ca 0.00 -1.41 -0.43 0.00 0.00 0.00 0.00 53.44 51.60 1fad n ALA 90 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 1fad n ALA 90 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1fad s PRO 91 N -5.06 3.18 0.28 0.00 0.04 -1.26 -4.83 135.00 127.35 1fad s PRO 91 Ca 0.62 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 63.49 1fad s PRO 91 Cb -0.08 -4.33 0.39 0.00 0.04 0.00 0.00 34.50 30.53 1fad s PRO 91 CO 0.49 -2.05 1.90 -1.00 0.04 0.00 0.00 177.00 176.39 1fad h PRO 92 N 14.50 1.03 -2.05 0.56 0.13 -1.92 -2.80 132.00 141.44 1fad h PRO 92 Ca -0.39 -0.12 -0.37 0.00 -0.87 0.00 0.00 66.00 64.25 1fad h PRO 92 Cb 1.22 -0.20 -0.12 0.00 0.13 0.00 0.00 31.00 32.03 1fad h PRO 92 CO 0.98 0.76 0.20 0.41 -0.23 0.00 0.00 178.00 180.12 1fad n GLY 93 N -1.18 3.75 0.00 1.56 0.00 -1.26 -4.56 105.19 103.50 1fad n GLY 93 Ca 0.07 -1.57 0.06 0.00 0.00 0.00 0.00 46.02 44.59 1fad n GLY 93 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1fad n GLU 94 N 1.74 0.03 -0.16 1.61 2.13 -1.06 -3.23 120.64 121.70 1fad n GLU 94 Ca 0.48 0.26 -0.05 0.00 0.66 0.00 0.00 57.16 58.51 1fad n GLU 94 Cb 0.70 -1.50 0.04 0.00 0.27 0.00 0.00 31.44 30.95 1fad n GLU 94 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1fad h ALA 95 N 2.47 0.63 -0.44 4.31 0.00 -1.90 0.66 119.26 124.99 1fad h ALA 95 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1fad h ALA 95 Cb 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1fad h ALA 95 CO 0.00 -0.05 0.02 -0.92 0.00 0.00 0.00 179.25 178.30 1fad h TYR 96 N 0.54 0.83 -0.04 0.00 5.03 -1.96 -2.15 116.97 119.22 1fad h TYR 96 Ca 0.21 -0.14 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1fad h TYR 96 Cb 0.07 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 38.13 1fad h TYR 96 CO -0.08 0.81 0.02 -0.07 -1.32 0.00 0.00 178.16 177.52 1fad h LEU 97 N 0.62 0.04 -0.84 2.82 4.07 -1.46 -0.91 115.31 119.65 1fad h LEU 97 Ca 0.13 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.05 1fad h LEU 97 Cb 0.46 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.16 1fad h LEU 97 CO 0.02 0.03 0.38 -0.61 -1.08 0.00 0.00 178.44 177.18 1fad h GLN 98 N 0.05 1.23 -0.19 1.13 4.15 0.36 0.98 115.11 122.81 1fad h GLN 98 Ca 0.01 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.22 1fad h GLN 98 Cb -0.01 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 1fad h GLN 98 CO -0.00 0.96 0.06 0.28 -1.93 0.00 0.00 178.83 178.19 1fad h VAL 99 N 1.21 1.19 0.06 2.39 2.07 -1.15 0.03 116.25 122.04 1fad h VAL 99 Ca 0.29 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1fad h VAL 99 Cb 0.15 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1fad h VAL 99 CO -0.03 0.19 -0.03 0.00 0.02 0.00 0.00 177.57 177.72 1fad h ALA 100 N 0.88 -0.08 -0.01 1.67 0.00 -0.90 -2.64 119.26 118.18 1fad h ALA 100 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1fad h ALA 100 Cb 0.24 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1fad h ALA 100 CO -0.00 -0.33 0.28 0.74 0.00 0.00 0.00 179.25 179.94 1fad h PHE 101 N -0.50 0.00 0.00 0.00 -1.00 0.10 -1.54 116.94 114.00 1fad h PHE 101 Ca -0.01 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.70 1fad h PHE 101 Cb 0.44 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 1fad h PHE 101 CO 0.07 0.00 -0.44 0.22 -1.61 0.00 0.00 178.31 176.55 1fad h ASP 102 N 0.00 0.00 -0.60 2.17 1.82 -0.63 -2.39 116.42 116.78 1fad h ASP 102 Ca 0.01 -0.63 -0.05 0.00 -0.39 0.00 0.00 57.03 55.96 1fad h ASP 102 Cb 0.56 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.55 1fad h ASP 102 CO -0.00 1.07 0.17 0.16 -1.61 0.00 0.00 179.24 179.03 1fad h ILE 103 N -1.00 1.25 -0.46 2.25 3.07 -1.21 -2.26 117.51 119.16 1fad h ILE 103 Ca -0.11 -0.86 -0.14 0.00 1.55 0.00 0.00 64.86 65.30 1fad h ILE 103 Cb 0.92 0.66 -0.01 0.00 -0.27 0.00 0.00 36.82 38.12 1fad h ILE 103 CO -0.07 0.32 -0.26 -0.37 -1.05 0.00 0.00 178.15 176.73 1fad h VAL 104 N 0.87 1.27 -0.08 0.16 -1.51 -1.46 -2.48 116.25 113.02 1fad h VAL 104 Ca 0.19 -1.43 0.00 0.00 -1.23 0.00 0.00 66.70 64.24 1fad h VAL 104 Cb 0.31 1.19 -0.00 0.00 -2.13 0.00 0.00 31.29 30.66 1fad h VAL 104 CO -0.00 0.49 0.05 0.00 -1.23 0.00 0.00 177.57 176.88 1fad n ASP 106 N -5.03 0.41 0.01 0.00 8.00 -0.87 0.90 116.55 119.97 1fad n ASP 106 Ca -0.06 0.62 -0.21 0.00 0.71 0.00 0.00 54.79 55.85 1fad n ASP 106 Cb 0.03 -0.70 -0.14 0.00 -0.02 0.00 0.00 41.12 40.29 1fad n ASP 106 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1fad h ASN 107 N 0.00 0.43 0.00 -2.24 -0.73 -0.47 -3.44 115.58 109.13 1fad h ASN 107 Ca 0.00 -0.94 -0.14 0.00 1.87 0.00 0.00 56.30 57.09 1fad h ASN 107 Cb 0.24 -0.14 -0.12 0.00 0.27 0.00 0.00 38.32 38.58 1fad h ASN 107 CO 0.00 1.84 -0.20 0.55 -0.37 0.00 0.00 177.43 179.25 1fad n VAL 108 N -3.49 0.00 -0.34 2.57 3.14 0.55 -4.98 118.33 115.78 1fad n VAL 108 Ca -0.31 -0.84 0.03 0.00 -2.96 0.00 0.00 64.34 60.26 1fad n VAL 108 Cb 1.05 0.88 0.09 0.00 -1.06 0.00 0.00 33.84 34.80 1fad n VAL 108 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1fad n GLY 109 N -1.08 -1.66 0.33 7.55 0.00 0.26 -0.13 105.19 110.45 1fad n GLY 109 Ca -0.13 1.00 0.13 0.00 0.00 0.00 0.00 46.02 47.02 1fad n GLY 109 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fad h ARG 110 N 0.00 0.00 0.00 1.61 -0.00 -1.87 0.37 114.38 114.49 1fad h ARG 110 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.87 1fad h ARG 110 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.59 1fad h ARG 110 CO -0.93 0.00 0.00 -0.44 0.00 0.00 0.00 179.97 178.60 1fad h ASP 111 N 0.00 0.00 0.17 7.04 5.19 -0.93 -1.92 116.42 125.97 1fad h ASP 111 Ca 0.00 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 1fad h ASP 111 Cb 0.83 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 1fad h ASP 111 CO 0.00 0.00 -0.47 -0.50 -3.12 0.00 0.00 179.24 175.15 1fad h TRP 112 N 0.00 0.43 -0.86 4.55 -0.00 -0.42 -2.21 115.95 117.44 1fad h TRP 112 Ca 0.00 -0.14 -0.03 0.00 -0.00 0.00 0.00 58.89 58.72 1fad h TRP 112 Cb 0.45 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.16 29.48 1fad h TRP 112 CO 0.00 0.77 0.42 0.87 -0.00 0.00 0.00 178.44 180.49 1fad h LYS 113 N 0.29 1.23 0.00 0.49 1.57 -1.49 1.34 116.57 120.01 1fad h LYS 113 Ca 0.02 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1fad h LYS 113 Cb 0.94 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1fad h LYS 113 CO 0.08 0.94 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.81 1fad h ARG 114 N 1.22 -0.01 0.00 3.15 2.43 -1.39 -0.83 114.38 118.95 1fad h ARG 114 Ca 0.30 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.35 1fad h ARG 114 Cb 0.11 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1fad h ARG 114 CO -0.04 -0.01 -0.53 -0.07 -1.51 0.00 0.00 179.97 177.81 1fad h LEU 115 N -0.01 0.00 -0.34 3.80 3.38 -0.95 -2.87 115.31 118.31 1fad h LEU 115 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1fad h LEU 115 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1fad h LEU 115 CO -0.01 0.53 0.22 0.00 0.09 0.00 0.00 178.44 179.28 1fad h ALA 116 N 1.47 0.43 -0.93 1.53 0.00 0.24 0.70 119.26 122.70 1fad h ALA 116 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1fad h ALA 116 Cb 0.95 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1fad h ALA 116 CO 0.07 -0.11 0.59 0.00 0.00 0.00 0.00 179.25 179.80 1fad h ARG 117 N 0.46 1.25 -0.66 0.00 2.47 -1.06 -0.21 114.38 116.62 1fad h ARG 117 Ca 0.12 -0.10 -0.07 0.00 -1.26 0.00 0.00 59.98 58.68 1fad h ARG 117 Cb -0.05 -0.27 -0.03 0.00 -1.65 0.00 0.00 29.97 27.97 1fad h ARG 117 CO -0.03 0.85 0.15 0.93 0.56 0.00 0.00 179.97 182.43 1fad h GLU 118 N 1.27 1.06 0.00 0.04 5.08 -1.06 -1.25 114.58 119.72 1fad h GLU 118 Ca 0.34 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1fad h GLU 118 Cb -0.10 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.01 1fad h GLU 118 CO -0.07 0.95 0.00 1.28 -1.00 0.00 0.00 179.01 180.17 1fad n LEU 119 N -4.23 0.00 -3.40 1.33 4.77 0.23 -4.90 117.00 110.80 1fad n LEU 119 Ca 0.05 0.21 -0.17 0.00 -0.03 0.00 0.00 56.01 56.07 1fad n LEU 119 Cb 0.26 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1fad n LEU 119 CO 0.42 -0.06 0.08 0.29 -1.33 0.00 0.00 177.39 176.79 1fad n LYS 120 N -1.21 -5.29 -1.36 3.23 5.02 -0.22 -4.98 118.16 113.35 1fad n LYS 120 Ca 0.12 0.83 -0.31 0.00 -2.02 0.00 0.00 58.31 56.94 1fad n LYS 120 Cb 0.15 -5.79 0.08 0.00 -0.02 0.00 0.00 35.03 29.45 1fad n LYS 120 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1fad s VAL 121 N -3.39 3.55 0.08 -0.18 -7.23 -1.04 -4.91 120.40 107.27 1fad s VAL 121 Ca 0.13 0.50 -0.34 0.00 -1.81 0.00 0.00 61.98 60.46 1fad s VAL 121 Cb -0.02 -3.07 -0.13 0.00 0.56 0.00 0.00 36.38 33.72 1fad s VAL 121 CO 0.74 -0.66 1.66 -1.54 -0.31 0.00 0.00 175.10 174.99 1fad n SER 122 N -3.40 3.12 0.01 4.85 3.41 -1.26 -4.85 113.62 115.49 1fad n SER 122 Ca 0.09 1.05 0.04 0.00 -0.26 0.00 0.00 58.87 59.79 1fad n SER 122 Cb 0.53 -1.39 0.43 0.00 -0.26 0.00 0.00 64.21 63.52 1fad n SER 122 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1fad h GLU 123 N 6.86 0.53 0.68 4.33 4.39 -1.98 -2.15 114.58 127.23 1fad h GLU 123 Ca -0.46 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 1fad h GLU 123 Cb 1.26 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1fad h GLU 123 CO 0.90 0.35 -0.48 0.00 -1.16 0.00 0.00 179.01 178.62 1fad h ALA 124 N 1.75 -1.23 -0.31 3.43 0.00 -1.99 0.26 119.26 121.18 1fad h ALA 124 Ca 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1fad h ALA 124 Cb -0.06 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1fad h ALA 124 CO -0.03 -1.21 0.14 0.87 0.00 0.00 0.00 179.25 179.02 1fad h LYS 125 N -1.11 0.45 -0.36 0.00 1.57 -1.93 -1.56 116.57 113.64 1fad h LYS 125 Ca -0.09 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1fad h LYS 125 Cb 0.91 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1fad h LYS 125 CO 0.05 0.43 0.24 1.98 -0.57 0.00 0.00 179.45 181.57 1fad h MET 126 N 0.36 0.47 -0.94 3.15 4.05 -1.34 0.11 114.93 120.79 1fad h MET 126 Ca 0.10 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1fad h MET 126 Cb 0.13 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.78 1fad h MET 126 CO -0.01 0.31 0.55 -0.44 0.23 0.00 0.00 176.91 177.55 1fad h ASP 127 N 0.48 1.14 -0.12 1.39 3.32 -0.35 -2.33 116.42 119.96 1fad h ASP 127 Ca 0.13 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 1fad h ASP 127 Cb -0.06 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.21 1fad h ASP 127 CO -0.03 0.88 -0.44 1.23 -1.72 0.00 0.00 179.24 179.16 1fad h GLY 128 N 1.30 0.56 0.98 2.75 0.00 -0.77 -2.75 103.07 105.14 1fad h GLY 128 Ca 0.34 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1fad h GLY 128 CO -0.06 0.67 0.17 1.19 0.00 0.00 0.00 176.54 178.51 1fad h ILE 129 N 0.11 1.10 0.00 2.60 6.09 -0.68 0.74 117.51 127.47 1fad h ILE 129 Ca -0.02 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.25 1fad h ILE 129 Cb 1.08 0.74 -0.00 0.00 0.47 0.00 0.00 36.82 39.11 1fad h ILE 129 CO 0.09 0.09 -0.00 -0.08 -3.07 0.00 0.00 178.15 175.18 1fad h GLU 130 N 0.35 -0.01 -0.11 2.19 4.81 -1.50 0.56 114.58 120.89 1fad h GLU 130 Ca 0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1fad h GLU 130 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1fad h GLU 130 CO -0.02 -0.00 0.02 0.93 -0.73 0.00 0.00 179.01 179.21 1fad h GLU 131 N -0.01 0.17 0.00 1.92 5.08 -1.35 -2.99 114.58 117.40 1fad h GLU 131 Ca 0.00 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1fad h GLU 131 Cb 0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1fad h GLU 131 CO -0.00 0.35 -0.46 0.87 -1.00 0.00 0.00 179.01 178.76 1fad h LYS 132 N -0.04 0.00 -2.74 2.33 1.57 -0.79 -3.36 116.57 113.54 1fad h LYS 132 Ca 0.03 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.21 1fad h LYS 132 Cb 0.26 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.16 1fad h LYS 132 CO 0.00 0.46 -0.71 0.66 -0.57 0.00 0.00 179.45 179.30 1fad n TYR 133 N -3.87 2.03 0.71 -1.35 4.01 0.20 -4.89 117.16 114.00 1fad n TYR 133 Ca -0.01 -4.00 0.13 0.00 -0.16 0.00 0.00 57.90 53.86 1fad n TYR 133 Cb 0.50 -0.37 0.46 0.00 -0.31 0.00 0.00 39.34 39.62 1fad n TYR 133 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1fad n PRO 134 N 2.03 0.19 0.00 -0.72 -0.04 -1.14 -4.08 135.00 131.25 1fad n PRO 134 Ca 0.24 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1fad n PRO 134 Cb 0.40 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 1fad n PRO 134 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1fad n ARG 135 N -2.07 1.56 -2.96 0.54 3.00 -1.26 -5.01 116.66 110.45 1fad n ARG 135 Ca 0.06 -0.05 -0.43 0.00 -0.00 0.00 0.00 57.85 57.43 1fad n ARG 135 Cb 0.40 -0.32 -0.05 0.00 0.00 0.00 0.00 32.46 32.48 1fad n ARG 135 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1fad s SER 136 N -0.24 6.36 0.16 6.15 0.01 -1.26 -4.90 113.70 119.99 1fad s SER 136 Ca 0.00 -0.30 -0.14 0.00 1.31 0.00 0.00 55.95 56.82 1fad s SER 136 Cb 0.00 -2.38 0.05 0.00 0.21 0.00 0.00 66.02 63.90 1fad s SER 136 CO 0.00 -1.00 1.75 0.25 0.41 0.00 0.00 173.24 174.66 1fad h LEU 137 N 10.30 0.69 -0.20 2.44 5.85 -1.95 -2.34 115.31 130.10 1fad h LEU 137 Ca -0.26 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1fad h LEU 137 Cb 1.08 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1fad h LEU 137 CO 0.99 0.62 0.06 -1.28 -0.34 0.00 0.00 178.44 178.49 1fad h SER 138 N 0.71 0.29 -0.46 1.25 0.87 -1.93 -2.78 113.55 111.51 1fad h SER 138 Ca 0.18 -0.21 -0.09 0.00 -1.23 0.00 0.00 61.79 60.44 1fad h SER 138 Cb 0.10 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1fad h SER 138 CO -0.02 0.42 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.32 1fad h GLU 139 N 0.14 0.90 0.36 2.24 4.39 -1.94 -2.65 114.58 118.02 1fad h GLU 139 Ca 0.06 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 1fad h GLU 139 Cb 0.24 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1fad h GLU 139 CO -0.00 0.93 -0.17 -0.09 -1.16 0.00 0.00 179.01 178.51 1fad h ARG 140 N 0.82 -0.47 -0.55 2.33 2.43 -1.43 -3.35 114.38 114.16 1fad h ARG 140 Ca 0.14 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 1fad h ARG 140 Cb 0.56 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1fad h ARG 140 CO 0.03 -0.18 -0.03 -0.39 -1.51 0.00 0.00 179.97 177.89 1fad h VAL 141 N -1.01 1.26 -0.72 0.20 -1.51 -1.59 -3.26 116.25 109.63 1fad h VAL 141 Ca -0.05 -1.14 0.12 0.00 -1.23 0.00 0.00 66.70 64.40 1fad h VAL 141 Cb 0.51 0.87 -0.09 0.00 -2.13 0.00 0.00 31.29 30.45 1fad h VAL 141 CO 0.08 0.41 0.29 0.03 -1.23 0.00 0.00 177.57 177.15 1fad h ARG 142 N 0.88 0.45 -0.02 5.19 2.47 -1.61 0.99 114.38 122.73 1fad h ARG 142 Ca 0.15 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1fad h ARG 142 Cb 0.56 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1fad h ARG 142 CO 0.03 0.30 0.01 1.49 0.56 0.00 0.00 179.97 182.36 1fad h GLU 143 N 0.46 0.03 -0.21 0.04 4.57 -1.69 0.14 114.58 117.92 1fad h GLU 143 Ca 0.38 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.47 1fad h GLU 143 Cb 0.53 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1fad h GLU 143 CO -0.36 0.15 -0.24 0.77 -1.18 0.00 0.00 179.01 178.15 1fad h SER 144 N -0.10 0.38 -0.30 1.04 0.02 -1.46 -2.90 113.55 110.22 1fad h SER 144 Ca 0.01 -0.12 -0.13 0.00 -0.84 0.00 0.00 61.79 60.71 1fad h SER 144 Cb 0.13 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1fad h SER 144 CO -0.00 0.63 -0.31 -0.07 -1.14 0.00 0.00 176.83 175.93 1fad h LEU 145 N 0.34 0.79 -0.11 5.07 3.38 0.13 -2.87 115.31 122.05 1fad h LEU 145 Ca 0.05 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1fad h LEU 145 Cb 0.61 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1fad h LEU 145 CO 0.04 1.11 0.07 0.11 0.09 0.00 0.00 178.44 179.86 1fad h LYS 146 N 0.50 0.15 -0.37 1.13 1.57 -0.57 0.88 116.57 119.85 1fad h LYS 146 Ca 0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1fad h LYS 146 Cb 0.89 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1fad h LYS 146 CO 0.08 0.10 0.24 -0.39 -0.57 0.00 0.00 179.45 178.91 1fad h VAL 147 N 0.15 1.10 -0.43 0.50 -1.51 -1.56 0.62 116.25 115.12 1fad h VAL 147 Ca 0.04 -0.18 -0.10 0.00 -1.23 0.00 0.00 66.70 65.23 1fad h VAL 147 Cb -0.02 0.56 -0.01 0.00 -2.13 0.00 0.00 31.29 29.69 1fad h VAL 147 CO -0.01 0.09 -0.11 -0.25 -1.23 0.00 0.00 177.57 176.06 1fad h TRP 148 N 0.50 0.94 -0.41 5.19 7.01 -1.32 -2.27 115.95 125.58 1fad h TRP 148 Ca 0.14 -0.21 0.00 0.00 2.11 0.00 0.00 58.89 60.93 1fad h TRP 148 Cb -0.05 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.76 1fad h TRP 148 CO -0.05 0.95 0.27 -0.22 -2.79 0.00 0.00 178.44 176.60 1fad h LYS 149 N 0.66 0.54 -0.83 2.65 3.64 0.13 -2.14 116.57 121.22 1fad h LYS 149 Ca 0.11 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1fad h LYS 149 Cb 0.65 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1fad h LYS 149 CO 0.04 0.36 0.37 -0.97 -2.27 0.00 0.00 179.45 176.99 1fad h ASN 150 N 0.56 1.11 -0.68 4.20 -0.73 0.34 -2.93 115.58 117.46 1fad h ASN 150 Ca 0.15 -0.15 -0.08 0.00 1.87 0.00 0.00 56.30 58.09 1fad h ASN 150 Cb -0.06 -0.29 -0.03 0.00 0.27 0.00 0.00 38.32 38.21 1fad h ASN 150 CO -0.03 0.96 0.11 0.00 -0.37 0.00 0.00 177.43 178.10 1fad h ALA 151 N 1.20 0.90 -2.86 1.57 0.00 -1.07 -3.40 119.26 115.62 1fad h ALA 151 Ca 0.28 -0.27 -0.52 0.00 0.00 0.00 0.00 54.91 54.40 1fad h ALA 151 Cb 0.16 -0.26 0.06 0.00 0.00 0.00 0.00 17.79 17.75 1fad h ALA 151 CO -0.03 0.67 0.59 -1.21 0.00 0.00 0.00 179.25 179.27 1fad s GLU 152 N -5.22 4.37 0.00 0.00 0.41 -0.84 -5.00 118.70 112.43 1fad s GLU 152 Ca -0.12 2.11 0.00 0.00 -0.41 0.00 0.00 54.97 56.55 1fad s GLU 152 Cb 0.14 -3.05 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 1fad s GLU 152 CO 0.85 -0.13 0.00 0.36 -0.49 0.00 0.00 175.26 175.85 1fad n LYS 153 N 0.80 0.00 0.17 1.61 0.00 -1.26 -4.27 118.16 115.20 1fad n LYS 153 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.33 1fad n LYS 153 Cb 0.43 0.00 0.28 0.00 -0.00 0.00 0.00 35.03 35.74 1fad n LYS 153 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1fad h LYS 154 N 0.00 0.00 0.00 -1.58 1.57 -2.00 -2.17 116.57 112.39 1fad h LYS 154 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1fad h LYS 154 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1fad h LYS 154 CO 0.00 0.47 0.00 -1.71 -0.57 0.00 0.00 179.45 177.64 1fad n ASN 155 N -3.90 0.00 0.00 0.86 5.15 -1.26 -2.90 115.26 113.21 1fad n ASN 155 Ca -0.01 -0.11 0.07 0.00 -0.60 0.00 0.00 54.58 53.93 1fad n ASN 155 Cb 0.50 -0.25 0.34 0.00 -0.53 0.00 0.00 39.78 39.84 1fad n ASN 155 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fad n ALA 156 N -1.25 1.75 -1.59 5.20 0.00 -0.82 -4.12 120.51 119.68 1fad n ALA 156 Ca 0.11 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.20 1fad n ALA 156 Cb 0.17 -1.23 0.14 0.00 0.00 0.00 0.00 19.45 18.53 1fad n ALA 156 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1fad s SER 157 N -2.76 3.40 0.17 0.00 1.04 -1.14 -4.70 113.70 109.70 1fad s SER 157 Ca 0.11 0.84 -0.14 0.00 0.48 0.00 0.00 55.95 57.23 1fad s SER 157 Cb 0.10 -1.31 0.06 0.00 0.10 0.00 0.00 66.02 64.97 1fad s SER 157 CO 0.24 -2.61 1.84 -0.37 0.98 0.00 0.00 173.24 173.32 1fad h VAL 158 N -1.54 1.13 -1.19 5.02 -1.51 -1.87 -1.78 116.25 114.50 1fad h VAL 158 Ca -0.49 -0.24 0.34 0.00 -1.23 0.00 0.00 66.70 65.08 1fad h VAL 158 Cb 1.32 0.36 -0.07 0.00 -2.13 0.00 0.00 31.29 30.78 1fad h VAL 158 CO 0.58 0.13 0.83 0.00 -1.23 0.00 0.00 177.57 177.88 1fad h ALA 159 N 1.19 2.91 0.11 5.19 0.00 -1.92 0.86 119.26 127.59 1fad h ALA 159 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1fad h ALA 159 Cb -0.08 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1fad h ALA 159 CO -0.04 -1.29 -0.05 0.78 0.00 0.00 0.00 179.25 178.64 1fad h GLY 160 N 0.10 -0.15 1.01 0.00 0.00 -1.48 -2.77 103.07 99.78 1fad h GLY 160 Ca 0.60 0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.99 1fad h GLY 160 CO -0.10 -0.05 0.41 -2.00 0.00 0.00 0.00 176.54 174.79 1fad h LEU 161 N -0.27 0.71 -0.78 3.11 5.85 -1.18 -2.27 115.31 120.48 1fad h LEU 161 Ca -0.01 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1fad h LEU 161 Cb 0.11 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1fad h LEU 161 CO 0.02 0.52 0.52 -0.37 -0.34 0.00 0.00 178.44 178.79 1fad h VAL 162 N 0.84 1.20 0.15 1.05 -1.51 0.56 0.33 116.25 118.88 1fad h VAL 162 Ca 0.23 -0.36 -0.01 0.00 -1.23 0.00 0.00 66.70 65.33 1fad h VAL 162 Cb -0.10 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.11 1fad h VAL 162 CO -0.05 0.19 -0.07 0.50 -1.23 0.00 0.00 177.57 176.91 1fad h LYS 163 N 1.06 -0.19 0.26 5.19 3.64 -1.30 -2.58 116.57 122.65 1fad h LYS 163 Ca 0.29 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1fad h LYS 163 Cb -0.12 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1fad h LYS 163 CO -0.06 -0.06 -0.12 0.00 -2.27 0.00 0.00 179.45 176.93 1fad h ALA 164 N 0.56 -0.35 -0.48 5.00 0.00 -1.03 -2.72 119.26 120.24 1fad h ALA 164 Ca -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1fad h ALA 164 Cb 0.22 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1fad h ALA 164 CO 0.03 -0.58 0.28 1.37 0.00 0.00 0.00 179.25 180.35 1fad h LEU 165 N -0.58 0.45 -0.61 0.00 8.10 -0.39 -2.71 115.31 119.56 1fad h LEU 165 Ca -0.04 0.01 -0.15 0.00 0.11 0.00 0.00 57.88 57.82 1fad h LEU 165 Cb 0.42 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 1fad h LEU 165 CO 0.06 0.32 -0.51 0.08 -4.11 0.00 0.00 178.44 174.28 1fad h ARG 166 N 0.56 0.49 -0.88 0.17 -0.00 -1.54 0.49 114.38 113.66 1fad h ARG 166 Ca 0.20 -0.29 -0.02 0.00 -0.00 0.00 0.00 59.98 59.87 1fad h ARG 166 Cb 0.03 0.03 -0.04 0.00 -0.00 0.00 0.00 29.97 29.99 1fad h ARG 166 CO -0.10 0.88 0.48 1.15 -0.00 0.00 0.00 179.97 182.39 1fad h THR 167 N 0.38 1.26 0.04 0.08 2.02 -1.29 -3.27 112.91 112.14 1fad h THR 167 Ca 0.02 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1fad h THR 167 Cb 1.02 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1fad h THR 167 CO 0.09 0.29 -0.02 0.00 0.37 0.00 0.00 175.52 176.25 1fad n ARG 169 N -4.76 0.00 -1.36 0.00 0.63 -0.83 -5.03 116.66 105.32 1fad n ARG 169 Ca -0.05 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.55 1fad n ARG 169 Cb 0.22 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.07 1fad n ARG 169 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1fad n LEU 170 N 0.00 7.80 0.01 6.15 4.32 0.16 -4.62 117.00 130.83 1fad n LEU 170 Ca 0.00 -4.18 0.05 0.00 -0.02 0.00 0.00 56.01 51.86 1fad n LEU 170 Cb 0.01 -1.48 0.45 0.00 -1.62 0.00 0.00 43.42 40.78 1fad n LEU 170 CO 0.00 1.98 1.16 -1.13 -1.22 0.00 0.00 177.39 178.18 1fad h ASN 171 N 4.41 0.42 0.43 -1.43 -0.73 -1.81 -2.78 115.58 114.09 1fad h ASN 171 Ca 0.68 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.83 1fad h ASN 171 Cb 0.57 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 39.03 1fad h ASN 171 CO 1.36 0.30 -0.51 -0.07 -0.37 0.00 0.00 177.43 178.14 1fad h LEU 172 N 0.49 -1.42 -1.44 0.34 -0.00 -1.96 -0.37 115.31 110.94 1fad h LEU 172 Ca 0.16 0.12 -0.05 0.00 -0.00 0.00 0.00 57.88 58.10 1fad h LEU 172 Cb 0.03 0.48 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1fad h LEU 172 CO -0.04 -0.65 -0.21 -0.37 -0.00 0.00 0.00 178.44 177.17 1fad h VAL 173 N -0.96 1.18 -0.68 1.22 -1.51 -1.89 -2.26 116.25 111.35 1fad h VAL 173 Ca -0.05 -0.86 0.01 0.00 -1.23 0.00 0.00 66.70 64.57 1fad h VAL 173 Cb 0.85 1.38 -0.03 0.00 -2.13 0.00 0.00 31.29 31.36 1fad h VAL 173 CO -0.10 0.25 0.45 0.00 -1.23 0.00 0.00 177.57 176.94 1fad h ALA 174 N 1.70 0.87 -1.00 5.19 0.00 -1.13 -2.06 119.26 122.82 1fad h ALA 174 Ca 0.02 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1fad h ALA 174 Cb 0.43 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1fad h ALA 174 CO 0.03 0.29 0.67 -0.44 0.00 0.00 0.00 179.25 179.80 1fad h ASP 175 N 0.93 1.15 0.73 0.00 3.32 -0.48 0.25 116.42 122.33 1fad h ASP 175 Ca 0.25 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 1fad h ASP 175 Cb -0.11 -0.29 0.01 0.00 0.22 0.00 0.00 39.33 39.16 1fad h ASP 175 CO -0.05 0.83 -0.35 -0.07 -1.72 0.00 0.00 179.24 177.87 1fad h LEU 176 N 1.36 -0.84 -1.51 1.55 3.38 -1.22 -0.93 115.31 117.11 1fad h LEU 176 Ca 0.37 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 1fad h LEU 176 Cb -0.15 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1fad h LEU 176 CO -0.08 -0.56 0.11 -0.37 0.09 0.00 0.00 178.44 177.62 1fad h VAL 177 N -1.04 1.13 0.76 1.22 -1.51 -1.37 -1.57 116.25 113.86 1fad h VAL 177 Ca -0.10 -0.43 -0.04 0.00 -1.23 0.00 0.00 66.70 64.91 1fad h VAL 177 Cb 0.77 0.78 0.01 0.00 -2.13 0.00 0.00 31.29 30.72 1fad h VAL 177 CO 0.17 0.16 -0.36 -0.08 -1.23 0.00 0.00 177.57 176.22 1fad h GLU 178 N 0.43 -0.98 -0.33 5.19 4.81 -0.68 -1.42 114.58 121.61 1fad h GLU 178 Ca 0.11 0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1fad h GLU 178 Cb 0.12 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1fad h GLU 178 CO -0.01 -0.64 0.07 1.05 -0.73 0.00 0.00 179.01 178.75 1fad h GLU 179 N -1.19 0.47 -0.28 1.92 4.11 -1.09 -1.62 114.58 116.91 1fad h GLU 179 Ca -0.10 -0.08 -0.08 0.00 0.07 0.00 0.00 59.36 59.18 1fad h GLU 179 Cb 0.80 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1fad h GLU 179 CO 0.17 0.45 -0.15 0.00 0.07 0.00 0.00 179.01 179.56 1fad h ALA 180 N 1.61 1.23 0.00 1.06 0.00 -1.24 -2.33 119.26 119.59 1fad h ALA 180 Ca 0.11 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1fad h ALA 180 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1fad h ALA 180 CO -0.00 0.50 -0.34 0.37 0.00 0.00 0.00 179.25 179.78 1fad h GLN 181 N 0.44 0.00 -6.21 0.00 5.75 -0.28 -3.47 115.11 111.35 1fad h GLN 181 Ca 0.08 0.00 -0.45 0.00 -0.15 0.00 0.00 58.65 58.13 1fad h GLN 181 Cb 0.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1fad h GLN 181 CO 0.03 0.34 -0.77 0.39 -2.65 0.00 0.00 178.83 176.17 1fad n GLU 182 N -3.61 -5.54 -0.33 1.69 1.02 -0.88 -5.11 120.64 107.88 1fad n GLU 182 Ca -0.01 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1fad n GLU 182 Cb 0.46 -5.43 0.00 0.00 -0.02 0.00 0.00 31.44 26.45 1fad n GLU 182 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74