#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fif h ILE 74 N 0.00 1.02 -0.21 0.00 6.09 -2.05 -0.50 117.51 121.85 1fif h ILE 74 Ca 0.00 -0.12 -0.06 0.00 -1.37 0.00 0.00 64.86 63.31 1fif h ILE 74 Cb 0.00 1.10 -0.01 0.00 0.47 0.00 0.00 36.82 38.38 1fif h ILE 74 CO 0.00 0.03 -0.12 -0.33 -3.07 0.00 0.00 178.15 174.66 1fif h GLU 75 N -0.08 0.34 -0.37 2.19 5.08 -2.05 -0.71 114.58 118.96 1fif h GLU 75 Ca -0.00 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 1fif h GLU 75 Cb 0.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1fif h GLU 75 CO 0.00 0.47 -0.34 0.28 -1.00 0.00 0.00 179.01 178.42 1fif h VAL 76 N 0.32 1.28 -0.60 3.13 2.07 -1.94 -2.03 116.25 118.48 1fif h VAL 76 Ca 0.06 -1.51 -0.09 0.00 0.82 0.00 0.00 66.70 65.98 1fif h VAL 76 Cb 0.41 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1fif h VAL 76 CO 0.02 0.50 0.01 0.11 0.02 0.00 0.00 177.57 178.24 1fif h LYS 77 N 0.70 1.04 -0.59 1.57 1.57 -0.60 -1.71 116.57 118.55 1fif h LYS 77 Ca 0.06 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.48 1fif h LYS 77 Cb 0.92 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1fif h LYS 77 CO 0.09 1.01 0.18 -0.07 -0.57 0.00 0.00 179.45 180.08 1fif h LEU 78 N 0.95 0.86 -0.66 2.94 3.38 -1.07 -0.51 115.31 121.21 1fif h LEU 78 Ca 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1fif h LEU 78 Cb 0.53 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1fif h LEU 78 CO 0.03 0.84 0.33 0.00 0.09 0.00 0.00 178.44 179.73 1fif h ALA 79 N 1.05 0.85 -0.61 1.53 0.00 -1.16 -1.00 119.26 119.90 1fif h ALA 79 Ca 0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1fif h ALA 79 Cb 0.30 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1fif h ALA 79 CO -0.00 0.40 0.14 -0.97 0.00 0.00 0.00 179.25 178.81 1fif h ASN 80 N 0.91 0.94 -0.50 0.00 -1.24 -1.04 -2.26 115.58 112.38 1fif h ASN 80 Ca 0.23 -0.24 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 1fif h ASN 80 Cb 0.10 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.88 1fif h ASN 80 CO -0.03 0.94 0.26 -0.03 -1.29 0.00 0.00 177.43 177.28 1fif h MET 81 N 0.90 0.74 -0.70 6.67 4.05 -0.66 0.11 114.93 126.05 1fif h MET 81 Ca 0.19 -0.09 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1fif h MET 81 Cb 0.37 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.00 1fif h MET 81 CO 0.00 0.58 0.28 1.49 0.23 0.00 0.00 176.91 179.49 1fif h GLU 82 N 0.75 1.06 -0.27 0.39 4.81 -0.77 -0.05 114.58 120.50 1fif h GLU 82 Ca 0.19 -0.19 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1fif h GLU 82 Cb 0.07 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1fif h GLU 82 CO -0.03 0.88 -0.38 0.00 -0.73 0.00 0.00 179.01 178.75 1fif h ALA 83 N 1.13 0.84 -0.56 2.92 0.00 -0.74 -1.63 119.26 121.22 1fif h ALA 83 Ca 0.23 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1fif h ALA 83 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1fif h ALA 83 CO -0.02 0.64 0.11 0.93 0.00 0.00 0.00 179.25 180.92 1fif h GLU 84 N 0.51 0.91 -0.18 0.00 4.39 -0.44 -1.00 114.58 118.77 1fif h GLU 84 Ca 0.05 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 1fif h GLU 84 Cb 0.88 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1fif h GLU 84 CO 0.08 0.86 0.03 0.82 -1.16 0.00 0.00 179.01 179.64 1fif h ILE 85 N 0.80 1.22 -0.32 3.13 2.04 -0.87 -1.93 117.51 121.57 1fif h ILE 85 Ca 0.17 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 1fif h ILE 85 Cb 0.38 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1fif h ILE 85 CO 0.01 0.21 -0.04 0.78 0.00 0.00 0.00 178.15 179.11 1fif h ASN 86 N 0.09 0.49 0.36 1.72 2.35 -1.17 -0.65 115.58 118.76 1fif h ASN 86 Ca 0.05 -0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 1fif h ASN 86 Cb 0.30 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1fif h ASN 86 CO 0.00 0.59 -0.47 0.71 -1.65 0.00 0.00 177.43 176.61 1fif h THR 87 N 0.49 1.34 -0.35 2.81 1.35 -1.09 -0.84 112.91 116.62 1fif h THR 87 Ca 0.10 -1.66 -0.13 0.00 -0.55 0.00 0.00 66.41 64.17 1fif h THR 87 Cb 0.38 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 1fif h THR 87 CO 0.02 0.49 -0.30 0.25 -0.25 0.00 0.00 175.52 175.73 1fif h LEU 88 N 0.12 0.86 -0.80 3.87 5.85 -0.61 -0.79 115.31 123.80 1fif h LEU 88 Ca 0.01 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1fif h LEU 88 Cb 0.88 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1fif h LEU 88 CO 0.07 1.14 0.45 0.11 -0.34 0.00 0.00 178.44 179.87 1fif h LYS 89 N 0.60 1.11 -0.18 1.25 1.57 -0.88 0.02 116.57 120.05 1fif h LYS 89 Ca 0.06 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1fif h LYS 89 Cb 0.87 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1fif h LYS 89 CO 0.08 0.80 0.11 1.03 -0.57 0.00 0.00 179.45 180.90 1fif h SER 90 N 1.11 0.21 -0.05 0.86 0.87 -0.92 -1.27 113.55 114.36 1fif h SER 90 Ca 0.28 -0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.68 1fif h SER 90 Cb 0.01 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1fif h SER 90 CO -0.05 0.21 -0.32 0.11 -0.53 0.00 0.00 176.83 176.25 1fif h LYS 91 N 0.20 0.52 -0.53 2.24 1.57 -0.87 -1.83 116.57 117.87 1fif h LYS 91 Ca 0.06 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.53 1fif h LYS 91 Cb 0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1fif h LYS 91 CO -0.01 0.77 -0.01 1.25 -0.57 0.00 0.00 179.45 180.89 1fif h LEU 92 N 0.45 0.92 -0.91 2.94 5.85 -0.79 -0.92 115.31 122.85 1fif h LEU 92 Ca 0.05 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1fif h LEU 92 Cb 0.77 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1fif h LEU 92 CO 0.06 1.01 0.54 -0.08 -0.34 0.00 0.00 178.44 179.63 1fif h GLU 93 N 0.81 1.24 -0.75 1.25 4.57 -1.03 -1.21 114.58 119.47 1fif h GLU 93 Ca 0.15 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1fif h GLU 93 Cb 0.54 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 1fif h GLU 93 CO 0.03 0.88 0.29 1.25 -1.18 0.00 0.00 179.01 180.28 1fif h LEU 94 N 1.25 1.04 -0.36 1.64 5.85 -0.93 -0.39 115.31 123.42 1fif h LEU 94 Ca 0.32 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1fif h LEU 94 Cb -0.03 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1fif h LEU 94 CO -0.06 0.94 0.17 0.74 -0.34 0.00 0.00 178.44 179.89 1fif h THR 95 N 1.09 1.17 -0.66 1.05 2.02 -0.47 -0.17 112.91 116.94 1fif h THR 95 Ca 0.25 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1fif h THR 95 Cb 0.22 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1fif h THR 95 CO -0.02 0.18 0.31 0.78 0.37 0.00 0.00 175.52 177.14 1fif h ASN 96 N 0.45 0.86 -0.32 4.18 -0.26 -0.92 -0.34 115.58 119.24 1fif h ASN 96 Ca 0.12 -0.14 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 1fif h ASN 96 Cb 0.13 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 1fif h ASN 96 CO -0.01 0.76 0.09 0.50 -1.06 0.00 0.00 177.43 177.70 1fif h LYS 97 N 0.91 0.50 -0.63 0.81 3.64 -0.85 -0.82 116.57 120.13 1fif h LYS 97 Ca 0.23 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1fif h LYS 97 Cb 0.13 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1fif h LYS 97 CO -0.03 0.55 0.05 1.25 -2.27 0.00 0.00 179.45 179.01 1fif h LEU 98 N 0.36 1.04 -0.27 5.20 5.85 -0.85 -1.04 115.31 125.60 1fif h LEU 98 Ca 0.10 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1fif h LEU 98 Cb 0.27 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1fif h LEU 98 CO -0.00 1.07 0.14 -0.74 -0.34 0.00 0.00 178.44 178.57 1fif h HIS 99 N 1.00 0.37 -0.41 1.25 2.76 -0.91 0.18 115.15 119.39 1fif h HIS 99 Ca 0.19 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.37 1fif h HIS 99 Cb 0.50 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 1fif h HIS 99 CO 0.04 0.32 0.23 0.00 -1.30 0.00 0.00 177.93 177.21 1fif h ALA 100 N 1.02 0.52 -0.31 5.26 0.00 -0.92 -1.27 119.26 123.55 1fif h ALA 100 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1fif h ALA 100 Cb 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1fif h ALA 100 CO -0.01 -0.12 0.02 0.35 0.00 0.00 0.00 179.25 179.49 1fif h PHE 101 N 0.46 0.03 0.00 0.00 3.57 -0.89 -0.96 116.94 119.14 1fif h PHE 101 Ca 0.17 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1fif h PHE 101 Cb 0.04 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1fif h PHE 101 CO -0.08 -0.03 -0.04 0.66 -2.23 0.00 0.00 178.31 176.59 1fif h SER 102 N 0.12 0.00 -0.00 0.41 4.64 -0.46 -1.26 113.55 116.99 1fif h SER 102 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1fif h SER 102 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1fif h SER 102 CO -0.23 0.04 -0.00 0.23 -0.87 0.00 0.00 176.83 176.00 1fif n MET 103 N -3.27 1.47 -0.24 4.77 2.81 -0.47 -4.92 117.12 117.28 1fif n MET 103 Ca -0.01 -0.70 0.00 0.00 -1.81 0.00 0.00 57.70 55.17 1fif n MET 103 Cb 0.21 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 1fif n MET 103 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fif n GLY 104 N 1.13 0.87 3.67 3.03 0.00 -0.47 -4.82 105.19 108.60 1fif n GLY 104 Ca 0.20 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1fif n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fif s LYS 105 N -0.68 4.17 0.30 1.61 2.20 -0.58 -4.97 119.74 121.79 1fif s LYS 105 Ca 0.00 2.40 -0.17 0.00 -0.36 0.00 0.00 55.97 57.85 1fif s LYS 105 Cb 0.00 -3.90 -0.09 0.00 -1.51 0.00 0.00 37.83 32.33 1fif s LYS 105 CO 0.00 -0.85 0.75 0.15 -0.36 0.00 0.00 175.35 175.04 1fif s LYS 106 N 3.67 4.09 0.12 4.03 -0.14 -1.26 -4.66 119.74 125.59 1fif s LYS 106 Ca 0.79 0.75 -0.35 0.00 -1.36 0.00 0.00 55.97 55.81 1fif s LYS 106 Cb -0.39 -2.54 -0.15 0.00 -1.68 0.00 0.00 37.83 33.07 1fif s LYS 106 CO 0.35 0.21 1.52 0.43 -0.76 0.00 0.00 175.35 177.10 1fif n SER 107 N -0.08 2.65 -0.21 2.83 7.64 -1.26 -1.26 113.62 123.94 1fif n SER 107 Ca 0.02 1.09 -0.03 0.00 1.01 0.00 0.00 58.87 60.96 1fif n SER 107 Cb 0.53 -1.35 -0.01 0.00 -1.01 0.00 0.00 64.21 62.37 1fif n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fif n GLY 108 N 3.19 0.42 3.34 0.23 0.00 -1.26 -4.99 105.19 106.12 1fif n GLY 108 Ca 0.18 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1fif n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fif s LYS 109 N -1.68 1.45 0.72 1.61 -0.14 -0.39 -4.85 119.74 116.47 1fif s LYS 109 Ca 0.00 -1.19 -0.11 0.00 -1.36 0.00 0.00 55.97 53.31 1fif s LYS 109 Cb 0.00 -1.77 0.02 0.00 -1.68 0.00 0.00 37.83 34.41 1fif s LYS 109 CO 0.00 0.43 1.07 -1.59 -0.76 0.00 0.00 175.35 174.50 1fif s LYS 110 N -1.69 2.72 0.29 1.68 -2.85 -1.26 -4.32 119.74 114.31 1fif s LYS 110 Ca 0.11 0.97 0.05 0.00 -1.00 0.00 0.00 55.97 56.10 1fif s LYS 110 Cb -0.10 -1.96 -0.06 0.00 -2.06 0.00 0.00 37.83 33.65 1fif s LYS 110 CO 0.04 -1.26 0.00 -0.59 0.10 0.00 0.00 175.35 173.64 1fif s PHE 111 N -3.02 1.91 0.06 1.78 -0.71 -0.78 -4.71 117.98 112.52 1fif s PHE 111 Ca 0.59 -0.84 0.08 0.00 -1.04 0.00 0.00 56.93 55.72 1fif s PHE 111 Cb -0.15 -1.17 -0.03 0.00 -1.21 0.00 0.00 43.02 40.46 1fif s PHE 111 CO 0.55 0.12 -0.21 -0.06 -1.34 0.00 0.00 175.22 174.28 1fif s PHE 112 N -3.18 1.85 0.01 3.49 0.08 -1.26 -0.91 117.98 118.06 1fif s PHE 112 Ca 0.32 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.95 1fif s PHE 112 Cb 0.06 -1.07 -0.01 0.00 -0.57 0.00 0.00 43.02 41.43 1fif s PHE 112 CO 0.13 0.14 0.06 0.08 -0.10 0.00 0.00 175.22 175.53 1fif s VAL 113 N -0.92 0.09 0.02 -0.44 1.01 -0.43 -4.96 120.40 114.78 1fif s VAL 113 Ca 0.08 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 1fif s VAL 113 Cb -0.09 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1fif s VAL 113 CO 0.03 -0.42 0.19 0.28 0.00 0.00 0.00 175.10 175.17 1fif s THR 114 N -1.37 0.10 -1.81 3.92 -1.32 -1.26 -1.11 115.64 112.78 1fif s THR 114 Ca -0.15 -0.80 0.17 0.00 -1.21 0.00 0.00 61.69 59.70 1fif s THR 114 Cb -0.08 -0.75 0.29 0.00 -1.51 0.00 0.00 72.50 70.45 1fif s THR 114 CO 0.00 -0.44 1.20 -0.46 -2.21 0.00 0.00 174.62 172.72 1fif n ASN 115 N 0.96 2.89 -0.48 8.08 6.94 -1.26 -4.96 115.26 127.43 1fif n ASN 115 Ca -0.20 -1.85 -0.06 0.00 -0.02 0.00 0.00 54.58 52.45 1fif n ASN 115 Cb 0.58 -0.17 -0.03 0.00 -2.36 0.00 0.00 39.78 37.80 1fif n ASN 115 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1fif n HIS 116 N 1.01 0.00 -3.18 -2.53 8.25 -1.26 -5.00 115.22 112.50 1fif n HIS 116 Ca 0.14 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.21 1fif n HIS 116 Cb 0.47 -1.73 -0.06 0.00 1.12 0.00 0.00 29.99 29.80 1fif n HIS 116 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1fif s GLU 117 N -2.13 4.31 -0.17 -0.41 2.12 -1.26 -4.87 118.70 116.29 1fif s GLU 117 Ca 0.00 0.86 -0.08 0.00 0.36 0.00 0.00 54.97 56.11 1fif s GLU 117 Cb 0.00 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1fif s GLU 117 CO 0.00 0.59 0.10 1.03 -0.54 0.00 0.00 175.26 176.44 1fif s ARG 118 N -1.02 3.89 0.19 4.30 0.52 -1.26 -0.62 118.95 124.94 1fif s ARG 118 Ca 0.31 -0.26 -0.19 0.00 -0.52 0.00 0.00 55.73 55.07 1fif s ARG 118 Cb -0.20 -3.26 0.04 0.00 0.52 0.00 0.00 34.95 32.04 1fif s ARG 118 CO 0.21 0.41 0.56 0.00 0.02 0.00 0.00 175.30 176.50 1fif s MET 119 N 0.00 1.38 0.84 3.54 0.23 -0.38 -4.73 119.30 120.18 1fif s MET 119 Ca 0.08 -0.76 -0.11 0.00 -1.03 0.00 0.00 55.69 53.87 1fif s MET 119 Cb -0.12 0.55 0.10 0.00 -1.53 0.00 0.00 34.83 33.83 1fif s MET 119 CO 0.00 -0.59 1.15 -2.14 -2.03 0.00 0.00 175.02 171.41 1fif s PRO 120 N -3.84 1.58 0.24 3.16 0.02 -1.26 -1.46 135.00 133.44 1fif s PRO 120 Ca 0.07 1.53 -0.04 0.00 0.02 0.00 0.00 61.00 62.57 1fif s PRO 120 Cb -0.01 -1.79 0.42 0.00 0.02 0.00 0.00 34.50 33.14 1fif s PRO 120 CO -0.05 -2.21 1.76 0.35 -0.33 0.00 0.00 177.00 176.52 1fif h PHE 121 N -1.30 0.64 -0.41 6.54 3.57 -1.52 -1.89 116.94 122.58 1fif h PHE 121 Ca -0.44 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 1fif h PHE 121 Cb 1.27 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1fif h PHE 121 CO 0.51 0.17 0.25 0.66 -2.23 0.00 0.00 178.31 177.68 1fif h SER 122 N 0.57 0.48 0.09 0.41 4.64 -1.92 -1.10 113.55 116.72 1fif h SER 122 Ca 0.40 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.54 1fif h SER 122 Cb 0.51 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1fif h SER 122 CO -0.33 0.36 -0.57 0.11 -0.87 0.00 0.00 176.83 175.54 1fif h LYS 123 N 0.56 0.50 -0.25 4.77 1.79 -1.70 -2.30 116.57 119.94 1fif h LYS 123 Ca 0.15 -0.32 -0.04 0.00 -2.18 0.00 0.00 60.65 58.25 1fif h LYS 123 Cb -0.03 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1fif h LYS 123 CO -0.03 0.93 -0.02 0.28 -1.08 0.00 0.00 179.45 179.53 1fif h VAL 124 N 0.38 1.27 -0.19 0.50 2.07 -1.05 -0.98 116.25 118.24 1fif h VAL 124 Ca 0.00 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 66.61 1fif h VAL 124 Cb 1.10 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 1fif h VAL 124 CO 0.10 0.30 -0.05 0.11 0.02 0.00 0.00 177.57 178.05 1fif h LYS 125 N 0.21 -0.01 -0.49 1.57 1.57 -1.18 -0.30 116.57 117.94 1fif h LYS 125 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1fif h LYS 125 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1fif h LYS 125 CO 0.02 -0.00 0.27 0.00 -0.57 0.00 0.00 179.45 179.17 1fif h ALA 126 N 1.19 0.63 0.25 3.86 0.00 -1.36 -0.84 119.26 122.99 1fif h ALA 126 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1fif h ALA 126 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1fif h ALA 126 CO -0.20 0.14 -0.12 1.25 0.00 0.00 0.00 179.25 180.32 1fif h LEU 127 N 0.65 -0.29 -0.99 0.00 6.46 -0.84 -0.99 115.31 119.32 1fif h LEU 127 Ca 0.17 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1fif h LEU 127 Cb 0.04 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 1fif h LEU 127 CO -0.03 -0.11 0.56 0.00 -0.62 0.00 0.00 178.44 178.24 1fif h SER 129 N 1.28 0.96 0.24 0.00 0.87 -0.97 -0.18 113.55 115.75 1fif h SER 129 Ca 0.33 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.83 1fif h SER 129 Cb -0.06 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 1fif h SER 129 CO -0.06 0.69 -0.17 -0.08 -0.53 0.00 0.00 176.83 176.67 1fif h GLU 130 N 1.13 0.00 -0.03 2.24 4.81 -0.60 -1.42 114.58 120.71 1fif h GLU 130 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1fif h GLU 130 Cb -0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1fif h GLU 130 CO -0.07 0.17 0.00 1.28 -0.73 0.00 0.00 179.01 179.67 1fif n LEU 131 N -4.09 1.07 -0.36 1.64 4.77 -0.62 -4.91 117.00 114.50 1fif n LEU 131 Ca -0.02 -0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 55.55 1fif n LEU 131 Cb 0.25 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1fif n LEU 131 CO 0.34 0.19 -0.04 0.54 -1.33 0.00 0.00 177.39 177.09 1fif n ARG 132 N -0.15 -0.27 0.00 3.23 5.12 -0.53 -5.02 116.66 119.03 1fif n ARG 132 Ca 0.20 0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.44 1fif n ARG 132 Cb 0.28 -4.00 0.00 0.00 -1.16 0.00 0.00 32.46 27.57 1fif n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1fif n GLY 133 N -1.53 6.48 3.49 -0.13 0.00 -0.17 -4.90 105.19 108.43 1fif n GLY 133 Ca -0.04 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 1fif n GLY 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fif s THR 134 N 0.42 0.02 0.31 2.61 -4.23 -1.06 -3.60 115.64 110.11 1fif s THR 134 Ca 0.00 -1.37 -0.30 0.00 -1.18 0.00 0.00 61.69 58.84 1fif s THR 134 Cb 0.00 -2.06 -0.12 0.00 1.34 0.00 0.00 72.50 71.66 1fif s THR 134 CO 0.00 -0.09 1.55 0.52 -0.54 0.00 0.00 174.62 176.06 1fif n VAL 135 N -0.33 1.26 -1.64 2.29 0.31 -1.26 -1.00 118.33 117.96 1fif n VAL 135 Ca -0.04 -0.32 -0.47 0.00 -0.01 0.00 0.00 64.34 63.51 1fif n VAL 135 Cb 0.63 -1.93 -0.04 0.00 -0.91 0.00 0.00 33.84 31.59 1fif n VAL 135 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fif n ALA 136 N 1.70 0.61 -3.97 3.52 0.00 -0.16 -3.91 120.51 118.29 1fif n ALA 136 Ca 0.07 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.65 1fif n ALA 136 Cb 0.37 -2.23 -0.16 0.00 0.00 0.00 0.00 19.45 17.43 1fif n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fif s ILE 137 N 0.30 1.57 -0.34 0.00 1.01 -1.26 -0.59 121.20 121.89 1fif s ILE 137 Ca 0.75 -1.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 1fif s ILE 137 Cb -0.73 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.03 1fif s ILE 137 CO 0.46 0.07 1.18 -2.84 0.00 0.00 0.00 174.94 173.81 1fif s PRO 138 N 1.41 3.93 0.00 2.79 0.02 -1.26 -4.87 135.00 137.03 1fif s PRO 138 Ca -0.03 1.05 0.25 0.00 0.02 0.00 0.00 61.00 62.29 1fif s PRO 138 Cb -0.17 -3.83 0.45 0.00 0.02 0.00 0.00 34.50 30.97 1fif s PRO 138 CO -0.07 -1.09 1.37 0.54 -0.33 0.00 0.00 177.00 177.42 1fif n ARG 139 N 7.24 0.85 -3.82 5.54 5.12 -1.26 -4.88 116.66 125.44 1fif n ARG 139 Ca 0.13 -0.59 -0.03 0.00 -1.93 0.00 0.00 57.85 55.43 1fif n ARG 139 Cb 0.47 -1.49 0.01 0.00 -1.16 0.00 0.00 32.46 30.29 1fif n ARG 139 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1fif s ASN 140 N -2.56 -0.06 0.20 0.55 2.20 -1.26 -4.66 114.94 109.35 1fif s ASN 140 Ca 0.21 -0.59 -0.10 0.00 -0.94 0.00 0.00 52.86 51.44 1fif s ASN 140 Cb 0.19 0.50 0.22 0.00 -2.00 0.00 0.00 41.25 40.16 1fif s ASN 140 CO 0.57 -0.98 1.79 0.00 -2.94 0.00 0.00 177.10 175.55 1fif h ALA 141 N 2.00 0.82 -0.26 3.54 0.00 -1.98 -1.37 119.26 122.01 1fif h ALA 141 Ca -0.27 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1fif h ALA 141 Cb 1.22 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1fif h ALA 141 CO 0.32 -0.02 0.06 1.49 0.00 0.00 0.00 179.25 181.10 1fif h GLU 142 N 0.60 0.15 -0.05 0.00 4.81 -2.00 -0.93 114.58 117.17 1fif h GLU 142 Ca 0.28 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 1fif h GLU 142 Cb 0.20 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1fif h GLU 142 CO -0.19 0.10 -0.34 0.93 -0.73 0.00 0.00 179.01 178.79 1fif h GLU 143 N 0.16 0.09 -0.39 1.92 5.08 -1.90 -1.54 114.58 118.01 1fif h GLU 143 Ca 0.12 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1fif h GLU 143 Cb 0.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1fif h GLU 143 CO -0.15 0.42 0.05 -0.97 -1.00 0.00 0.00 179.01 177.36 1fif h ASN 144 N 0.08 0.63 -0.63 1.42 -1.24 -0.52 -0.55 115.58 114.77 1fif h ASN 144 Ca 0.01 -0.27 -0.08 0.00 0.71 0.00 0.00 56.30 56.67 1fif h ASN 144 Cb 0.64 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 1fif h ASN 144 CO 0.05 0.74 0.08 0.50 -1.29 0.00 0.00 177.43 177.51 1fif h LYS 145 N 0.49 1.06 -0.90 6.67 1.63 -0.93 -1.98 116.57 122.62 1fif h LYS 145 Ca 0.12 -0.30 -0.02 0.00 -0.85 0.00 0.00 60.65 59.60 1fif h LYS 145 Cb 0.39 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 1fif h LYS 145 CO 0.01 1.00 0.50 0.00 -3.45 0.00 0.00 179.45 177.51 1fif h ALA 146 N 1.02 1.15 -0.28 5.00 0.00 -1.04 -0.47 119.26 124.64 1fif h ALA 146 Ca 0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1fif h ALA 146 Cb 0.47 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1fif h ALA 146 CO 0.02 0.65 -0.04 0.82 0.00 0.00 0.00 179.25 180.69 1fif h ILE 147 N 1.25 1.27 0.00 0.00 2.04 -0.85 -1.72 117.51 119.50 1fif h ILE 147 Ca 0.32 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 1fif h ILE 147 Cb 0.01 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1fif h ILE 147 CO -0.05 0.33 -0.20 0.06 0.00 0.00 0.00 178.15 178.28 1fif h GLN 148 N 0.29 0.00 -0.27 2.37 3.07 -1.12 -0.22 115.11 119.23 1fif h GLN 148 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.77 1fif h GLN 148 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.06 1fif h GLN 148 CO 0.02 0.20 0.01 1.49 0.09 0.00 0.00 178.83 180.65 1fif h GLU 149 N 0.00 0.47 -0.05 0.06 4.57 -0.70 0.56 114.58 119.49 1fif h GLU 149 Ca -0.00 -0.15 -0.22 0.00 -1.18 0.00 0.00 59.36 57.81 1fif h GLU 149 Cb 0.46 -0.04 0.02 0.00 -0.16 0.00 0.00 28.75 29.02 1fif h GLU 149 CO 0.03 0.63 -0.82 0.28 -1.18 0.00 0.00 179.01 177.94 1fif h VAL 150 N 0.26 1.32 -0.10 0.32 2.07 -0.93 -3.34 116.25 115.85 1fif h VAL 150 Ca 0.08 -2.09 -0.05 0.00 0.82 0.00 0.00 66.70 65.45 1fif h VAL 150 Cb 0.41 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1fif h VAL 150 CO 0.01 0.64 -0.14 0.00 0.02 0.00 0.00 177.57 178.10 1fif h ALA 151 N 0.43 0.15 0.00 1.67 0.00 -1.07 -3.46 119.26 116.98 1fif h ALA 151 Ca -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1fif h ALA 151 Cb 1.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1fif h ALA 151 CO 0.16 0.04 0.00 1.63 0.00 0.00 0.00 179.25 181.09 1fif n LYS 152 N -4.59 0.00 -3.98 0.00 5.02 0.19 -4.84 118.16 109.95 1fif n LYS 152 Ca -0.07 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.10 1fif n LYS 152 Cb 0.37 -3.50 -0.02 0.00 -0.02 0.00 0.00 35.03 31.87 1fif n LYS 152 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1fif s THR 153 N -1.87 0.00 0.18 -0.18 -1.32 -1.26 -4.92 115.64 106.26 1fif s THR 153 Ca 0.00 -1.37 -0.32 0.00 -1.21 0.00 0.00 61.69 58.79 1fif s THR 153 Cb 0.00 -2.72 -0.11 0.00 -1.51 0.00 0.00 72.50 68.15 1fif s THR 153 CO 0.00 0.00 1.77 -0.55 -2.21 0.00 0.00 174.62 173.63 1fif s SER 154 N -3.17 6.38 0.03 8.08 0.15 -1.26 -4.73 113.70 119.18 1fif s SER 154 Ca 0.25 2.84 -0.00 0.00 0.70 0.00 0.00 55.95 59.74 1fif s SER 154 Cb -0.02 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 1fif s SER 154 CO 0.17 -0.99 -0.03 0.00 1.20 0.00 0.00 173.24 173.59 1fif s ALA 155 N 1.72 0.23 0.52 5.45 0.00 -1.03 -1.92 121.76 126.72 1fif s ALA 155 Ca 0.77 -0.75 -0.19 0.00 0.00 0.00 0.00 51.96 51.79 1fif s ALA 155 Cb -0.49 0.18 -0.07 0.00 0.00 0.00 0.00 23.12 22.74 1fif s ALA 155 CO 0.34 -0.21 1.06 -0.06 0.00 0.00 0.00 175.76 176.89 1fif s PHE 156 N -2.07 2.92 0.25 0.00 0.08 -1.18 -0.82 117.98 117.16 1fif s PHE 156 Ca -0.10 1.56 0.10 0.00 0.12 0.00 0.00 56.93 58.61 1fif s PHE 156 Cb -0.06 -3.11 -0.04 0.00 -0.57 0.00 0.00 43.02 39.24 1fif s PHE 156 CO -0.03 -1.04 -0.07 -0.51 -0.10 0.00 0.00 175.22 173.47 1fif s LEU 157 N -3.71 3.01 -0.72 -0.37 1.43 -0.07 -4.59 118.68 113.66 1fif s LEU 157 Ca 0.68 -0.72 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 1fif s LEU 157 Cb -0.18 -1.56 -0.12 0.00 0.03 0.00 0.00 46.19 44.36 1fif s LEU 157 CO 0.24 0.03 3.16 0.61 0.23 0.00 0.00 176.35 180.62 1fif n GLY 158 N -0.63 3.84 2.80 -3.19 0.00 0.24 -4.62 105.19 103.63 1fif n GLY 158 Ca -0.07 -1.50 -0.16 0.00 0.00 0.00 0.00 46.02 44.30 1fif n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fif s ILE 159 N 0.63 0.05 0.22 -0.61 1.01 -1.26 -1.13 121.20 120.11 1fif s ILE 159 Ca 0.65 0.14 -0.10 0.00 0.00 0.00 0.00 60.65 61.34 1fif s ILE 159 Cb 0.27 -0.16 -0.01 0.00 0.01 0.00 0.00 42.46 42.58 1fif s ILE 159 CO -0.06 0.10 0.39 0.42 0.00 0.00 0.00 174.94 175.79 1fif s THR 160 N 0.94 0.01 -0.23 2.92 -4.23 -0.80 -3.15 115.64 111.10 1fif s THR 160 Ca -0.09 -1.49 0.12 0.00 -1.18 0.00 0.00 61.69 59.06 1fif s THR 160 Cb -0.12 -2.18 0.45 0.00 1.34 0.00 0.00 72.50 71.99 1fif s THR 160 CO -0.02 -0.05 1.19 -0.90 -0.54 0.00 0.00 174.62 174.29 1fif n ASP 161 N -0.33 3.04 -0.18 3.99 5.75 -0.69 -1.05 116.55 127.08 1fif n ASP 161 Ca -0.02 -3.39 -0.07 0.00 -0.01 0.00 0.00 54.79 51.30 1fif n ASP 161 Cb 0.63 -0.42 0.08 0.00 -1.03 0.00 0.00 41.12 40.39 1fif n ASP 161 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1fif h GLU 162 N 1.74 0.98 -0.24 0.11 5.08 -1.89 -3.03 114.58 117.33 1fif h GLU 162 Ca 0.12 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1fif h GLU 162 Cb 1.36 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1fif h GLU 162 CO 0.37 0.94 -0.23 0.28 -1.00 0.00 0.00 179.01 179.37 1fif h VAL 163 N 0.90 1.32 -2.66 3.13 2.07 -1.90 -3.42 116.25 115.68 1fif h VAL 163 Ca 0.17 -1.39 -0.41 0.00 0.82 0.00 0.00 66.70 65.89 1fif h VAL 163 Cb 0.49 1.67 -0.38 0.00 -1.52 0.00 0.00 31.29 31.55 1fif h VAL 163 CO 0.02 0.43 -0.70 -0.89 0.02 0.00 0.00 177.57 176.46 1fif s THR 164 N -4.36 -0.22 0.08 2.57 2.01 -1.20 -5.12 115.64 109.40 1fif s THR 164 Ca -0.13 -0.34 -0.37 0.00 0.31 0.00 0.00 61.69 61.16 1fif s THR 164 Cb 0.08 -0.77 -0.17 0.00 0.01 0.00 0.00 72.50 71.64 1fif s THR 164 CO 0.80 -0.39 1.25 1.21 -0.69 0.00 0.00 174.62 176.80 1fif n GLU 165 N 5.29 0.86 0.00 4.92 4.07 -1.15 -1.61 120.64 133.02 1fif n GLU 165 Ca -0.05 0.31 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 1fif n GLU 165 Cb 0.47 -1.89 0.00 0.00 -0.06 0.00 0.00 31.44 29.96 1fif n GLU 165 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1fif n GLY 166 N 2.22 2.96 3.19 8.31 0.00 -1.26 -4.99 105.19 115.62 1fif n GLY 166 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1fif n GLY 166 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fif s GLN 167 N -0.20 2.38 0.45 1.61 -1.52 -0.64 -5.09 119.66 116.65 1fif s GLN 167 Ca 0.00 -1.39 -0.21 0.00 -1.95 0.00 0.00 55.36 51.82 1fif s GLN 167 Cb 0.00 -3.37 -0.10 0.00 -0.22 0.00 0.00 33.01 29.31 1fif s GLN 167 CO 0.00 -0.75 0.98 -0.06 -0.25 0.00 0.00 175.29 175.21 1fif s PHE 168 N 1.27 3.20 0.06 0.91 0.40 -1.26 -4.53 117.98 118.03 1fif s PHE 168 Ca -0.01 1.60 -0.05 0.00 -0.60 0.00 0.00 56.93 57.87 1fif s PHE 168 Cb -0.21 -2.93 -0.02 0.00 0.51 0.00 0.00 43.02 40.38 1fif s PHE 168 CO -0.01 -0.36 0.10 -1.64 0.70 0.00 0.00 175.22 174.01 1fif s MET 169 N -3.19 0.70 0.42 0.44 -1.94 -0.21 -1.72 119.30 113.81 1fif s MET 169 Ca 0.64 -0.99 -0.22 0.00 -1.71 0.00 0.00 55.69 53.41 1fif s MET 169 Cb -0.12 0.27 -0.09 0.00 2.01 0.00 0.00 34.83 36.90 1fif s MET 169 CO 0.15 -0.19 1.01 0.71 -0.01 0.00 0.00 175.02 176.69 1fif s TYR 170 N -3.55 3.25 0.60 -0.03 2.02 -0.30 -1.91 117.35 117.43 1fif s TYR 170 Ca 0.03 1.63 0.34 0.00 -0.37 0.00 0.00 57.07 58.71 1fif s TYR 170 Cb 0.04 -3.01 2.00 0.00 -0.40 0.00 0.00 41.96 40.59 1fif s TYR 170 CO -0.09 -0.44 2.28 -0.39 -1.57 0.00 0.00 175.55 175.35 1fif h VAL 171 N 1.99 0.36 -0.52 0.71 -1.51 -1.48 0.78 116.25 116.58 1fif h VAL 171 Ca -0.49 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1fif h VAL 171 Cb 1.20 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1fif h VAL 171 CO 0.61 0.01 0.00 0.35 -1.23 0.00 0.00 177.57 177.31 1fif n THR 172 N -3.60 0.69 0.00 7.19 -2.24 -1.26 -5.03 114.28 110.02 1fif n THR 172 Ca -0.03 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1fif n THR 172 Cb 0.09 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1fif n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fif n GLY 173 N 1.34 2.22 0.00 3.38 0.00 0.27 -5.15 105.19 107.25 1fif n GLY 173 Ca 0.18 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1fif n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fif n GLY 174 N 1.95 2.20 3.77 -0.02 0.00 -1.26 -4.27 105.19 107.55 1fif n GLY 174 Ca 0.00 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 1fif n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fif s ARG 175 N -4.27 4.42 0.28 1.61 0.52 -1.26 -1.15 118.95 119.10 1fif s ARG 175 Ca 0.00 1.65 -0.30 0.00 -0.52 0.00 0.00 55.73 56.56 1fif s ARG 175 Cb 0.00 -2.89 -0.10 0.00 0.52 0.00 0.00 34.95 32.48 1fif s ARG 175 CO 0.00 0.06 1.46 -1.17 0.02 0.00 0.00 175.30 175.67 1fif s LEU 176 N -2.00 4.38 0.00 2.53 2.96 -0.70 -4.79 118.68 121.05 1fif s LEU 176 Ca 0.51 2.76 0.00 0.00 -0.22 0.00 0.00 54.13 57.18 1fif s LEU 176 Cb -0.27 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.79 1fif s LEU 176 CO 0.34 -0.75 0.00 0.35 -1.32 0.00 0.00 176.35 174.98 1fif n THR 177 N 1.98 0.00 -1.75 3.68 -2.24 -1.26 -5.01 114.28 109.69 1fif n THR 177 Ca 0.06 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.42 1fif n THR 177 Cb 0.40 -0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.31 1fif n THR 177 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fif n TYR 178 N -0.40 2.92 -3.85 4.78 9.36 -1.26 -5.00 117.16 123.70 1fif n TYR 178 Ca 0.00 0.25 -0.09 0.00 3.32 0.00 0.00 57.90 61.39 1fif n TYR 178 Cb 0.00 -2.60 -0.07 0.00 -0.63 0.00 0.00 39.34 36.03 1fif n TYR 178 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1fif s SER 179 N 0.47 0.11 -0.33 2.98 1.04 -1.26 -4.95 113.70 111.76 1fif s SER 179 Ca 0.63 -0.64 0.16 0.00 0.48 0.00 0.00 55.95 56.59 1fif s SER 179 Cb -0.48 0.34 0.43 0.00 0.10 0.00 0.00 66.02 66.41 1fif s SER 179 CO 0.50 -0.72 0.89 -3.20 0.98 0.00 0.00 173.24 171.69 1fif n ASN 180 N -0.03 1.29 -4.78 7.02 5.15 -1.26 -5.08 115.26 117.57 1fif n ASN 180 Ca -0.15 -2.79 -0.41 0.00 -0.60 0.00 0.00 54.58 50.63 1fif n ASN 180 Cb 0.62 -0.55 -0.00 0.00 -0.53 0.00 0.00 39.78 39.32 1fif n ASN 180 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1fif s TRP 181 N -2.94 2.62 0.53 1.20 0.52 -1.26 -0.45 118.94 119.16 1fif s TRP 181 Ca 0.30 1.20 -0.19 0.00 0.02 0.00 0.00 56.10 57.43 1fif s TRP 181 Cb 0.43 -3.99 -0.07 0.00 -1.15 0.00 0.00 33.47 28.70 1fif s TRP 181 CO 0.01 -2.89 1.05 0.21 0.02 0.00 0.00 176.95 175.35 1fif s LYS 182 N -2.09 3.61 0.31 4.98 2.20 -0.18 -4.69 119.74 123.88 1fif s LYS 182 Ca 0.53 1.32 -0.28 0.00 -0.36 0.00 0.00 55.97 57.18 1fif s LYS 182 Cb -0.46 -2.07 -0.13 0.00 -1.51 0.00 0.00 37.83 33.66 1fif s LYS 182 CO 0.62 -0.59 1.15 1.17 -0.36 0.00 0.00 175.35 177.34 1fif n LYS 183 N -1.36 1.73 -1.11 4.03 4.81 -1.26 -1.67 118.16 123.33 1fif n LYS 183 Ca 0.09 0.61 -0.04 0.00 -0.87 0.00 0.00 58.31 58.10 1fif n LYS 183 Cb 0.53 -2.08 -0.02 0.00 0.02 0.00 0.00 35.03 33.47 1fif n LYS 183 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1fif n ASP 184 N 1.02 -4.02 -4.37 3.14 8.00 -1.26 -5.02 116.55 114.04 1fif n ASP 184 Ca 0.07 0.09 -0.28 0.00 0.71 0.00 0.00 54.79 55.39 1fif n ASP 184 Cb 0.34 -1.85 -0.13 0.00 -0.02 0.00 0.00 41.12 39.46 1fif n ASP 184 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1fif s GLN 185 N -1.69 1.35 0.48 -1.24 -1.52 -0.67 -4.30 119.66 112.07 1fif s GLN 185 Ca 0.00 -1.33 -0.15 0.00 -1.95 0.00 0.00 55.36 51.93 1fif s GLN 185 Cb 0.00 -1.78 -0.08 0.00 -0.22 0.00 0.00 33.01 30.93 1fif s GLN 185 CO 0.00 0.42 0.93 -1.25 -0.25 0.00 0.00 175.29 175.14 1fif s PRO 186 N -2.09 3.92 0.00 2.91 0.04 -1.26 -4.68 135.00 133.84 1fif s PRO 186 Ca 0.13 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1fif s PRO 186 Cb -0.10 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1fif s PRO 186 CO 0.06 -0.20 0.32 -0.40 0.04 0.00 0.00 177.00 176.82 1fif n ASP 187 N -1.47 0.49 -4.00 6.66 5.75 -1.26 -5.04 116.55 117.69 1fif n ASP 187 Ca 0.06 -1.10 -0.29 0.00 -0.01 0.00 0.00 54.79 53.45 1fif n ASP 187 Cb 0.54 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.61 1fif n ASP 187 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1fif n ASP 188 N -0.05 -1.11 -4.76 -1.12 2.03 -1.26 -4.87 116.55 105.41 1fif n ASP 188 Ca 0.00 -1.09 -0.41 0.00 0.52 0.00 0.00 54.79 53.81 1fif n ASP 188 Cb 0.21 -2.67 -0.02 0.00 -0.72 0.00 0.00 41.12 37.92 1fif n ASP 188 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1fif s TRP 189 N -3.94 3.14 -0.88 -0.67 -0.00 -1.26 -4.35 118.94 110.97 1fif s TRP 189 Ca 0.11 1.40 0.14 0.00 -0.00 0.00 0.00 56.10 57.75 1fif s TRP 189 Cb -0.05 -3.63 -0.11 0.00 -0.00 0.00 0.00 33.47 29.68 1fif s TRP 189 CO 0.92 -1.76 0.66 0.66 -0.00 0.00 0.00 176.95 177.43 1fif n TYR 190 N 1.21 0.00 0.32 5.86 4.02 -1.26 -3.83 117.16 123.48 1fif n TYR 190 Ca 0.01 0.00 0.20 0.00 -0.01 0.00 0.00 57.90 58.10 1fif n TYR 190 Cb 0.42 0.00 1.08 0.00 -0.02 0.00 0.00 39.34 40.82 1fif n TYR 190 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1fif h GLY 191 N 3.28 0.00 2.00 2.72 0.00 -1.92 -2.72 103.07 106.43 1fif h GLY 191 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1fif h GLY 191 CO 0.00 0.00 -0.00 1.12 0.00 0.00 0.00 176.54 177.66 1fif h HIS 192 N 0.00 0.00 0.00 5.60 2.07 -1.92 -3.46 115.15 117.44 1fif h HIS 192 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1fif h HIS 192 Cb 0.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.03 1fif h HIS 192 CO 0.00 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.27 1fif n GLY 193 N -1.09 2.81 0.00 6.13 0.00 -1.03 -4.82 105.19 107.20 1fif n GLY 193 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1fif n GLY 193 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fif n LEU 194 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.90 117.00 116.60 1fif n LEU 194 Ca 0.00 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1fif n LEU 194 Cb 0.00 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1fif n LEU 194 CO 0.00 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.31 1fif n GLY 195 N -1.12 0.89 0.00 -0.72 0.00 -1.26 -5.10 105.19 97.88 1fif n GLY 195 Ca 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1fif n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fif n GLY 196 N 2.21 -1.15 0.00 -0.02 0.00 -1.26 -4.98 105.19 99.98 1fif n GLY 196 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1fif n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fif n GLY 197 N -0.94 0.73 2.66 -0.02 0.00 -1.26 -4.49 105.19 101.87 1fif n GLY 197 Ca 0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1fif n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fif s GLU 198 N 2.28 0.22 0.00 1.61 2.02 -1.25 -4.35 118.70 119.22 1fif s GLU 198 Ca 0.00 -0.05 0.06 0.00 0.02 0.00 0.00 54.97 55.00 1fif s GLU 198 Cb 0.00 -1.55 0.02 0.00 0.10 0.00 0.00 34.13 32.70 1fif s GLU 198 CO 0.00 -0.56 0.58 -0.25 0.02 0.00 0.00 175.26 175.05 1fif n ASP 199 N 5.22 1.19 -4.80 -0.19 9.92 -1.17 -4.51 116.55 122.21 1fif n ASP 199 Ca -0.07 -1.10 -0.22 0.00 -0.53 0.00 0.00 54.79 52.88 1fif n ASP 199 Cb 0.49 0.27 -0.05 0.00 -0.64 0.00 0.00 41.12 41.19 1fif n ASP 199 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fif s VAL 201 N -2.35 1.16 0.06 0.00 1.01 -1.19 -0.30 120.40 118.79 1fif s VAL 201 Ca 0.40 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1fif s VAL 201 Cb -0.04 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1fif s VAL 201 CO 0.25 0.33 -0.10 -1.38 0.00 0.00 0.00 175.10 174.21 1fif s HIS 202 N -0.13 0.86 0.06 5.22 -3.43 -0.63 -0.89 115.29 116.35 1fif s HIS 202 Ca 0.01 -0.52 -0.05 0.00 -0.80 0.00 0.00 55.06 53.70 1fif s HIS 202 Cb -0.08 -0.50 -0.05 0.00 -1.43 0.00 0.00 32.58 30.52 1fif s HIS 202 CO 0.00 -0.04 0.30 -1.50 -2.00 0.00 0.00 174.74 171.50 1fif s ILE 203 N -1.56 5.26 0.52 -5.38 2.07 -0.00 -2.08 121.20 120.03 1fif s ILE 203 Ca -0.05 0.07 0.08 0.00 -1.41 0.00 0.00 60.65 59.34 1fif s ILE 203 Cb -0.09 -3.60 0.04 0.00 0.13 0.00 0.00 42.46 38.95 1fif s ILE 203 CO 0.01 0.23 0.56 0.68 -1.91 0.00 0.00 174.94 174.51 1fif s VAL 204 N -1.44 2.16 0.23 4.00 -7.23 -0.06 -2.46 120.40 115.60 1fif s VAL 204 Ca 0.33 -1.23 -0.10 0.00 -1.81 0.00 0.00 61.98 59.17 1fif s VAL 204 Cb -0.13 -2.39 0.26 0.00 0.56 0.00 0.00 36.38 34.69 1fif s VAL 204 CO 0.20 0.00 1.63 0.44 -0.31 0.00 0.00 175.10 177.07 1fif h ASP 205 N 0.58 -0.45 0.33 4.85 3.32 -1.89 0.23 116.42 123.39 1fif h ASP 205 Ca -0.35 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1fif h ASP 205 Cb 1.29 0.37 0.00 0.00 0.22 0.00 0.00 39.33 41.21 1fif h ASP 205 CO 0.50 -0.19 0.00 -0.46 -1.72 0.00 0.00 179.24 177.37 1fif n ASN 206 N -5.38 0.00 0.00 6.45 6.94 -1.26 -4.88 115.26 117.13 1fif n ASN 206 Ca 0.11 -0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 1fif n ASN 206 Cb 0.41 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 1fif n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1fif n GLY 207 N 0.31 0.66 3.82 4.83 0.00 0.82 -5.07 105.19 110.57 1fif n GLY 207 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1fif n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fif s LEU 208 N 0.00 3.17 0.12 0.99 1.43 -1.26 -4.61 118.68 118.52 1fif s LEU 208 Ca 0.00 1.62 0.05 0.00 -1.03 0.00 0.00 54.13 54.77 1fif s LEU 208 Cb 0.00 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.68 1fif s LEU 208 CO 0.00 -1.37 0.03 0.26 0.23 0.00 0.00 176.35 175.50 1fif s TRP 209 N -3.01 3.01 -0.03 0.29 0.52 0.41 -0.88 118.94 119.25 1fif s TRP 209 Ca 0.58 -0.04 -0.07 0.00 0.02 0.00 0.00 56.10 56.60 1fif s TRP 209 Cb -0.14 -1.51 0.01 0.00 -1.15 0.00 0.00 33.47 30.68 1fif s TRP 209 CO 0.53 0.50 0.16 1.21 0.02 0.00 0.00 176.95 179.38 1fif s ASN 210 N -2.60 -0.09 0.07 2.95 2.47 -0.88 -1.01 114.94 115.84 1fif s ASN 210 Ca 0.27 0.10 -0.15 0.00 0.42 0.00 0.00 52.86 53.51 1fif s ASN 210 Cb -0.11 0.29 -0.06 0.00 -1.45 0.00 0.00 41.25 39.92 1fif s ASN 210 CO 0.20 -0.21 0.49 1.51 -3.72 0.00 0.00 177.10 175.36 1fif s ASP 211 N -0.59 6.86 0.31 -4.21 -4.77 -1.26 -1.60 116.67 111.41 1fif s ASP 211 Ca -0.07 1.05 -0.03 0.00 -3.30 0.00 0.00 52.55 50.20 1fif s ASP 211 Cb -0.04 -2.28 -0.01 0.00 -1.09 0.00 0.00 42.92 39.50 1fif s ASP 211 CO 0.01 0.24 0.42 -0.62 0.70 0.00 0.00 175.17 175.92 1fif s ASP 212 N -1.33 0.75 0.22 2.11 -1.08 0.59 -4.86 116.67 113.07 1fif s ASP 212 Ca 0.30 -1.42 -0.30 0.00 -0.52 0.00 0.00 52.55 50.61 1fif s ASP 212 Cb -0.17 0.61 -0.09 0.00 -1.46 0.00 0.00 42.92 41.81 1fif s ASP 212 CO 0.17 -1.20 1.36 -0.55 0.52 0.00 0.00 175.17 175.47 1fif s SER 213 N -3.21 6.80 0.30 -0.34 0.15 -1.26 -1.83 113.70 114.31 1fif s SER 213 Ca 0.31 2.50 0.23 0.00 0.70 0.00 0.00 55.95 59.70 1fif s SER 213 Cb 0.01 -2.61 1.11 0.00 -1.71 0.00 0.00 66.02 62.82 1fif s SER 213 CO 0.18 -0.60 1.70 0.00 1.20 0.00 0.00 173.24 175.73 1fif h GLN 215 N 0.00 0.00 -6.89 0.00 4.20 -1.97 -1.98 115.11 108.47 1fif h GLN 215 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 1fif h GLN 215 Cb 0.17 0.00 0.04 0.00 0.30 0.00 0.00 27.48 27.99 1fif h GLN 215 CO 0.00 0.16 0.51 1.03 -0.67 0.00 0.00 178.83 179.86 1fif s ARG 216 N -3.22 4.29 -0.12 1.46 0.52 -0.71 -4.66 118.95 116.51 1fif s ARG 216 Ca 0.05 1.86 -0.23 0.00 -0.52 0.00 0.00 55.73 56.89 1fif s ARG 216 Cb 0.07 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 1fif s ARG 216 CO 0.68 -0.13 0.70 -1.25 0.02 0.00 0.00 175.30 175.32 1fif s PRO 217 N -1.98 4.36 0.15 3.54 0.04 -1.26 -4.16 135.00 135.68 1fif s PRO 217 Ca 0.52 0.83 0.02 0.00 0.04 0.00 0.00 61.00 62.41 1fif s PRO 217 Cb -0.32 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 1fif s PRO 217 CO 0.41 -0.08 -0.03 0.71 0.04 0.00 0.00 177.00 178.05 1fif s TYR 218 N 1.30 1.13 0.27 0.56 1.51 -0.54 -4.60 117.35 116.99 1fif s TYR 218 Ca 0.35 -0.95 -0.30 0.00 -1.01 0.00 0.00 57.07 55.17 1fif s TYR 218 Cb -0.17 -0.64 -0.13 0.00 -0.11 0.00 0.00 41.96 40.91 1fif s TYR 218 CO 0.15 -0.14 1.26 2.41 -1.11 0.00 0.00 175.55 178.11 1fif n THR 219 N -0.18 1.48 -3.11 -0.71 -1.04 -0.81 -1.25 114.28 108.66 1fif n THR 219 Ca -0.09 -0.37 -0.41 0.00 -2.04 0.00 0.00 64.05 61.15 1fif n THR 219 Cb 0.62 -1.33 -0.06 0.00 -1.82 0.00 0.00 70.33 67.74 1fif n THR 219 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fif s ALA 220 N -0.59 3.60 -0.09 2.41 0.00 0.20 -3.08 121.76 124.22 1fif s ALA 220 Ca 0.63 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1fif s ALA 220 Cb -0.66 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 19.44 1fif s ALA 220 CO 0.56 -0.85 -0.08 0.08 0.00 0.00 0.00 175.76 175.47 1fif s VAL 221 N 2.52 0.92 0.16 0.00 1.01 -1.26 -4.01 120.40 119.75 1fif s VAL 221 Ca 0.26 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.03 1fif s VAL 221 Cb -0.15 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1fif s VAL 221 CO 0.09 0.34 0.05 0.00 0.00 0.00 0.00 175.10 175.58 1fif s GLU 223 N -2.96 1.32 0.06 0.00 -1.05 -0.17 -1.32 118.70 114.59 1fif s GLU 223 Ca 0.29 -1.30 0.06 0.00 -0.15 0.00 0.00 54.97 53.87 1fif s GLU 223 Cb -0.10 -1.74 -0.03 0.00 -0.44 0.00 0.00 34.13 31.83 1fif s GLU 223 CO 0.20 0.41 -0.17 -0.06 0.95 0.00 0.00 175.26 176.59 1fif s PHE 224 N -1.12 1.47 0.52 4.83 0.08 -0.09 -2.56 117.98 121.12 1fif s PHE 224 Ca 0.12 -0.40 -0.19 0.00 0.12 0.00 0.00 56.93 56.57 1fif s PHE 224 Cb -0.10 -0.84 -0.10 0.00 -0.57 0.00 0.00 43.02 41.41 1fif s PHE 224 CO 0.06 0.09 0.55 -2.30 -0.10 0.00 0.00 175.22 173.52 1fif n PRO 225 N 1.52 0.57 0.00 0.24 -0.02 -1.26 -1.86 135.00 134.20 1fif n PRO 225 Ca -0.19 0.22 0.07 0.00 -2.02 0.00 0.00 63.50 61.58 1fif n PRO 225 Cb 0.54 -1.66 0.41 0.00 -0.02 0.00 0.00 33.50 32.77 1fif n PRO 225 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48