#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 0.03 -0.22 0.00 1.08 -2.05 0.25 117.51 116.60 1fif h ILE 74 Ca 0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.39 1fif h ILE 74 Cb 0.00 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 33.76 1fif h ILE 74 CO 0.00 0.00 -0.21 -0.33 -0.69 0.00 0.00 178.15 176.92 1fif h GLU 75 N -0.16 0.39 -0.34 2.37 5.08 -2.05 -0.40 114.58 119.47 1fif h GLU 75 Ca 0.17 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1fif h GLU 75 Cb 0.53 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1fif h GLU 75 CO -0.79 0.59 -0.19 0.28 -1.00 0.00 0.00 179.01 177.90 1fif h VAL 76 N 0.36 1.29 -0.70 3.13 2.07 -1.72 -0.77 116.25 119.91 1fif h VAL 76 Ca 0.06 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 1fif h VAL 76 Cb 0.57 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1fif h VAL 76 CO 0.04 0.43 0.26 0.11 0.02 0.00 0.00 177.57 178.43 1fif h LYS 77 N 0.50 1.04 -0.46 1.57 1.57 -0.25 -1.28 116.57 119.26 1fif h LYS 77 Ca 0.07 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 1fif h LYS 77 Cb 0.73 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1fif h LYS 77 CO 0.05 0.86 -0.18 1.25 -0.57 0.00 0.00 179.45 180.87 1fif h LEU 78 N 1.02 0.95 -0.95 2.94 5.85 -0.90 -1.33 115.31 122.89 1fif h LEU 78 Ca 0.23 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1fif h LEU 78 Cb 0.23 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1fif h LEU 78 CO -0.02 1.13 -0.03 0.00 -0.34 0.00 0.00 178.44 179.18 1fif h ALA 79 N 0.86 1.13 -0.01 1.25 0.00 -0.87 -2.11 119.26 119.51 1fif h ALA 79 Ca 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1fif h ALA 79 Cb 0.74 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1fif h ALA 79 CO 0.06 0.56 -0.01 -0.97 0.00 0.00 0.00 179.25 178.89 1fif h ASN 80 N 0.68 0.03 -0.22 0.00 -1.24 -1.02 -2.72 115.58 111.08 1fif h ASN 80 Ca 0.13 -0.41 0.06 0.00 0.71 0.00 0.00 56.30 56.79 1fif h ASN 80 Cb 0.47 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 1fif h ASN 80 CO 0.02 0.43 0.20 0.24 -1.29 0.00 0.00 177.43 177.04 1fif h MET 81 N -0.38 0.00 -0.39 6.67 2.86 -1.12 0.37 114.93 122.94 1fif h MET 81 Ca 0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1fif h MET 81 Cb 0.42 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1fif h MET 81 CO 0.00 0.00 -0.12 1.49 1.06 0.00 0.00 176.91 179.34 1fif h GLU 82 N 0.00 0.77 -0.26 1.72 4.81 -1.17 -0.79 114.58 119.66 1fif h GLU 82 Ca 0.10 -0.31 -0.10 0.00 -0.13 0.00 0.00 59.36 58.92 1fif h GLU 82 Cb 0.51 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1fif h GLU 82 CO -0.00 0.92 -0.28 0.00 -0.73 0.00 0.00 179.01 178.92 1fif h ALA 83 N 0.83 1.04 -0.44 2.92 0.00 -0.11 -1.79 119.26 121.71 1fif h ALA 83 Ca 0.10 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1fif h ALA 83 Cb 0.65 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1fif h ALA 83 CO 0.04 0.58 0.11 0.93 0.00 0.00 0.00 179.25 180.91 1fif h GLU 84 N 0.44 0.71 -0.29 0.00 4.39 -0.49 -1.27 114.58 118.07 1fif h GLU 84 Ca 0.06 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1fif h GLU 84 Cb 0.72 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1fif h GLU 84 CO 0.06 0.71 0.12 0.82 -1.16 0.00 0.00 179.01 179.55 1fif h ILE 85 N 0.58 1.17 -0.88 3.13 2.04 -0.89 -1.28 117.51 121.39 1fif h ILE 85 Ca 0.14 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1fif h ILE 85 Cb 0.32 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1fif h ILE 85 CO 0.00 0.18 0.56 0.78 0.00 0.00 0.00 178.15 179.67 1fif h ASN 86 N 0.32 1.03 -0.61 1.72 2.35 -1.21 -0.30 115.58 118.88 1fif h ASN 86 Ca 0.10 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1fif h ASN 86 Cb 0.18 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1fif h ASN 86 CO -0.01 0.76 0.13 0.74 -1.65 0.00 0.00 177.43 177.40 1fif h THR 87 N 1.20 1.25 -0.15 2.81 2.02 -0.87 -1.63 112.91 117.55 1fif h THR 87 Ca 0.32 -0.96 -0.13 0.00 0.77 0.00 0.00 66.41 66.40 1fif h THR 87 Cb -0.10 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1fif h THR 87 CO -0.07 0.36 -0.47 -0.07 0.37 0.00 0.00 175.52 175.65 1fif h LEU 88 N 0.97 0.41 -0.58 2.58 3.38 -0.46 -1.02 115.31 120.58 1fif h LEU 88 Ca 0.20 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1fif h LEU 88 Cb 0.38 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1fif h LEU 88 CO 0.01 0.82 0.26 0.11 0.09 0.00 0.00 178.44 179.73 1fif h LYS 89 N 0.30 0.85 -0.47 1.13 1.57 -0.68 -0.40 116.57 118.87 1fif h LYS 89 Ca 0.02 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1fif h LYS 89 Cb 0.94 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1fif h LYS 89 CO 0.08 0.71 0.10 0.77 -0.57 0.00 0.00 179.45 180.54 1fif h SER 90 N 0.80 0.73 -0.69 0.86 0.02 -1.02 -2.03 113.55 112.22 1fif h SER 90 Ca 0.20 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 1fif h SER 90 Cb 0.15 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1fif h SER 90 CO -0.02 0.78 0.15 0.11 -1.14 0.00 0.00 176.83 176.71 1fif h LYS 91 N 0.64 1.12 -0.31 3.45 1.57 -0.94 -1.77 116.57 120.32 1fif h LYS 91 Ca 0.15 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 1fif h LYS 91 Cb 0.35 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1fif h LYS 91 CO 0.00 0.99 -0.21 1.25 -0.57 0.00 0.00 179.45 180.92 1fif h LEU 92 N 1.05 0.58 -0.64 2.94 5.85 -0.95 0.31 115.31 124.46 1fif h LEU 92 Ca 0.22 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1fif h LEU 92 Cb 0.39 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1fif h LEU 92 CO 0.01 0.79 0.11 -0.08 -0.34 0.00 0.00 178.44 178.93 1fif h GLU 93 N 0.52 1.05 -0.40 1.25 4.81 -1.08 -0.93 114.58 119.81 1fif h GLU 93 Ca 0.08 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 1fif h GLU 93 Cb 0.64 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1fif h GLU 93 CO 0.05 0.97 0.11 1.25 -0.73 0.00 0.00 179.01 180.66 1fif h LEU 94 N 0.97 0.60 -0.69 1.64 5.85 -0.91 -1.66 115.31 121.11 1fif h LEU 94 Ca 0.19 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1fif h LEU 94 Cb 0.43 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1fif h LEU 94 CO 0.01 0.66 0.40 0.74 -0.34 0.00 0.00 178.44 179.91 1fif h THR 95 N 0.51 1.02 -0.62 1.05 2.02 -0.65 -0.77 112.91 115.46 1fif h THR 95 Ca 0.13 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 1fif h THR 95 Cb 0.28 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1fif h THR 95 CO -0.00 0.14 0.14 0.78 0.37 0.00 0.00 175.52 176.94 1fif h ASN 96 N 0.76 0.93 -0.45 4.18 -0.26 -0.85 -0.39 115.58 119.51 1fif h ASN 96 Ca 0.30 -0.19 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 1fif h ASN 96 Cb 0.12 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 1fif h ASN 96 CO -0.15 0.91 0.20 0.11 -1.06 0.00 0.00 177.43 177.43 1fif h LYS 97 N 0.94 0.66 -0.60 0.81 1.57 -0.53 0.42 116.57 119.83 1fif h LYS 97 Ca 0.20 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1fif h LYS 97 Cb 0.36 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1fif h LYS 97 CO 0.00 0.59 0.20 1.25 -0.57 0.00 0.00 179.45 180.92 1fif h LEU 98 N 0.58 0.86 -0.62 2.94 5.85 -0.88 -1.23 115.31 122.81 1fif h LEU 98 Ca 0.15 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 1fif h LEU 98 Cb 0.16 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1fif h LEU 98 CO -0.02 0.82 0.18 0.45 -0.34 0.00 0.00 178.44 179.53 1fif h HIS 99 N 0.84 1.01 -0.70 1.25 3.86 -0.80 -1.03 115.15 119.59 1fif h HIS 99 Ca 0.19 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1fif h HIS 99 Cb 0.26 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 1fif h HIS 99 CO 0.02 0.84 0.42 0.00 0.86 0.00 0.00 177.93 180.07 1fif h ALA 100 N 1.06 0.89 -0.35 2.45 0.00 -0.64 -0.13 119.26 122.54 1fif h ALA 100 Ca 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1fif h ALA 100 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1fif h ALA 100 CO -0.00 0.36 0.21 0.35 0.00 0.00 0.00 179.25 180.16 1fif h PHE 101 N 0.95 0.46 0.00 0.00 3.57 -0.95 -1.24 116.94 119.74 1fif h PHE 101 Ca 0.25 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 1fif h PHE 101 Cb -0.04 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1fif h PHE 101 CO -0.01 0.34 -0.16 0.66 -2.23 0.00 0.00 178.31 176.90 1fif h SER 102 N 0.45 0.00 0.08 0.41 4.64 -0.74 -1.41 113.55 116.98 1fif h SER 102 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1fif h SER 102 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1fif h SER 102 CO -0.02 0.16 -0.02 0.23 -0.87 0.00 0.00 176.83 176.31 1fif n MET 103 N -3.60 1.13 -0.19 4.77 2.81 -0.10 -4.91 117.12 117.03 1fif n MET 103 Ca -0.01 -0.35 0.00 0.00 -1.81 0.00 0.00 57.70 55.53 1fif n MET 103 Cb 0.30 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 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 1.12 0.90 3.69 3.03 0.00 -0.53 -4.90 105.19 108.50 1fif n GLY 104 Ca 0.20 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.78 4.19 0.27 1.61 2.20 -0.54 -4.98 119.74 121.71 1fif s LYS 105 Ca 0.00 2.37 -0.15 0.00 -0.36 0.00 0.00 55.97 57.83 1fif s LYS 105 Cb 0.00 -3.57 -0.08 0.00 -1.51 0.00 0.00 37.83 32.66 1fif s LYS 105 CO 0.00 -0.74 0.69 0.15 -0.36 0.00 0.00 175.35 175.09 1fif s LYS 106 N 2.57 4.03 -0.03 4.03 -0.14 -1.26 -4.68 119.74 124.26 1fif s LYS 106 Ca 0.75 0.65 -0.38 0.00 -1.36 0.00 0.00 55.97 55.62 1fif s LYS 106 Cb -0.41 -2.61 -0.17 0.00 -1.68 0.00 0.00 37.83 32.97 1fif s LYS 106 CO 0.33 0.26 1.44 0.43 -0.76 0.00 0.00 175.35 177.05 1fif n SER 107 N 0.02 1.72 -1.87 2.83 7.64 -1.26 -1.34 113.62 121.35 1fif n SER 107 Ca 0.01 1.11 -0.19 0.00 1.01 0.00 0.00 58.87 60.82 1fif n SER 107 Cb 0.52 -1.15 -0.05 0.00 -1.01 0.00 0.00 64.21 62.52 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 2.94 0.90 3.28 0.23 0.00 -1.26 -4.98 105.19 106.30 1fif n GLY 108 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.14 1.11 0.63 1.61 1.02 -0.45 -4.85 119.74 114.68 1fif s LYS 109 Ca 0.00 -1.26 -0.16 0.00 0.02 0.00 0.00 55.97 54.57 1fif s LYS 109 Cb 0.00 -1.13 -0.02 0.00 -0.52 0.00 0.00 37.83 36.16 1fif s LYS 109 CO 0.00 0.23 1.09 -1.59 -0.92 0.00 0.00 175.35 174.17 1fif s LYS 110 N -2.51 3.02 0.09 1.68 -2.85 -1.26 -4.16 119.74 113.74 1fif s LYS 110 Ca 0.10 1.34 0.02 0.00 -1.00 0.00 0.00 55.97 56.43 1fif s LYS 110 Cb -0.06 -1.98 -0.04 0.00 -2.06 0.00 0.00 37.83 33.68 1fif s LYS 110 CO 0.04 -1.07 -0.07 -0.59 0.10 0.00 0.00 175.35 173.76 1fif s PHE 111 N -2.34 0.86 0.05 1.78 -0.71 -0.71 -4.73 117.98 112.18 1fif s PHE 111 Ca 0.66 -0.86 0.07 0.00 -1.04 0.00 0.00 56.93 55.76 1fif s PHE 111 Cb -0.19 -0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 41.08 1fif s PHE 111 CO 0.39 -0.14 -0.18 -0.06 -1.34 0.00 0.00 175.22 173.89 1fif s PHE 112 N -3.35 2.56 0.01 3.49 0.08 -1.26 -1.41 117.98 118.10 1fif s PHE 112 Ca 0.09 -0.26 -0.01 0.00 0.12 0.00 0.00 56.93 56.88 1fif s PHE 112 Cb 0.03 -1.45 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 1fif s PHE 112 CO -0.04 0.27 0.00 0.08 -0.10 0.00 0.00 175.22 175.43 1fif s VAL 113 N -0.95 0.07 0.05 -0.44 1.01 -0.58 -4.97 120.40 114.59 1fif s VAL 113 Ca 0.15 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1fif s VAL 113 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 1fif s VAL 113 CO 0.06 -0.30 0.09 0.28 0.00 0.00 0.00 175.10 175.23 1fif s THR 114 N -0.88 0.15 -1.35 3.92 -1.32 -1.26 -1.03 115.64 113.86 1fif s THR 114 Ca -0.10 -1.19 0.14 0.00 -1.21 0.00 0.00 61.69 59.32 1fif s THR 114 Cb -0.06 -1.03 0.30 0.00 -1.51 0.00 0.00 72.50 70.20 1fif s THR 114 CO -0.00 -0.66 1.20 -0.46 -2.21 0.00 0.00 174.62 172.49 1fif n ASN 115 N 0.58 2.85 -1.22 8.08 6.94 -1.26 -4.96 115.26 126.27 1fif n ASN 115 Ca -0.18 -1.87 -0.16 0.00 -0.02 0.00 0.00 54.58 52.35 1fif n ASN 115 Cb 0.59 -0.20 -0.07 0.00 -2.36 0.00 0.00 39.78 37.75 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 0.78 0.00 -3.34 -2.53 8.25 -1.26 -5.00 115.22 112.13 1fif n HIS 116 Ca 0.13 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.22 1fif n HIS 116 Cb 0.43 -2.84 -0.06 0.00 1.12 0.00 0.00 29.99 28.64 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 -3.32 4.04 -0.13 -0.41 2.12 -1.26 -4.91 118.70 114.82 1fif s GLU 117 Ca 0.00 0.56 -0.06 0.00 0.36 0.00 0.00 54.97 55.83 1fif s GLU 117 Cb 0.00 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.33 1fif s GLU 117 CO 0.00 0.53 0.09 1.03 -0.54 0.00 0.00 175.26 176.36 1fif s ARG 118 N -1.70 3.52 0.15 4.30 0.52 -1.26 -1.37 118.95 123.11 1fif s ARG 118 Ca 0.35 -0.26 -0.24 0.00 -0.52 0.00 0.00 55.73 55.06 1fif s ARG 118 Cb -0.16 -3.12 0.06 0.00 0.52 0.00 0.00 34.95 32.25 1fif s ARG 118 CO 0.19 0.60 0.74 0.00 0.02 0.00 0.00 175.30 176.85 1fif s MET 119 N -0.54 1.28 0.79 3.54 0.23 -0.64 -4.77 119.30 119.19 1fif s MET 119 Ca 0.11 -0.58 -0.13 0.00 -1.03 0.00 0.00 55.69 54.06 1fif s MET 119 Cb -0.12 0.52 0.07 0.00 -1.53 0.00 0.00 34.83 33.78 1fif s MET 119 CO 0.02 -0.57 1.17 -2.14 -2.03 0.00 0.00 175.02 171.47 1fif s PRO 120 N -3.58 1.82 0.20 3.16 0.02 -1.26 -1.75 135.00 133.61 1fif s PRO 120 Ca 0.06 1.62 -0.11 0.00 0.02 0.00 0.00 61.00 62.59 1fif s PRO 120 Cb -0.02 -1.81 0.25 0.00 0.02 0.00 0.00 34.50 32.94 1fif s PRO 120 CO -0.05 -2.05 1.73 0.35 -0.33 0.00 0.00 177.00 176.65 1fif h PHE 121 N -0.87 0.29 -0.84 6.54 3.57 -1.35 -1.48 116.94 122.79 1fif h PHE 121 Ca -0.46 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.19 1fif h PHE 121 Cb 1.28 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.92 1fif h PHE 121 CO 0.50 0.04 0.55 0.66 -2.23 0.00 0.00 178.31 177.82 1fif h SER 122 N 0.33 0.68 -0.41 0.41 4.64 -1.92 -0.37 113.55 116.90 1fif h SER 122 Ca 0.29 0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.49 1fif h SER 122 Cb 0.38 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1fif h SER 122 CO -0.33 0.38 -0.31 0.11 -0.87 0.00 0.00 176.83 175.81 1fif h LYS 123 N 0.74 0.95 -0.18 4.77 1.79 -1.63 -1.59 116.57 121.42 1fif h LYS 123 Ca 0.40 -0.46 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1fif h LYS 123 Cb 0.53 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 1fif h LYS 123 CO -0.17 1.12 0.06 0.28 -1.08 0.00 0.00 179.45 179.66 1fif h VAL 124 N 0.80 1.19 -0.58 0.50 2.07 -0.87 -0.66 116.25 118.70 1fif h VAL 124 Ca 0.08 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.07 1fif h VAL 124 Cb 0.90 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 1fif h VAL 124 CO 0.08 0.18 0.29 0.50 0.02 0.00 0.00 177.57 178.65 1fif h LYS 125 N 0.12 0.53 -0.45 1.57 3.64 -1.03 -0.13 116.57 120.81 1fif h LYS 125 Ca 0.06 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 1fif h LYS 125 Cb 0.23 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1fif h LYS 125 CO -0.00 0.35 -0.19 0.00 -2.27 0.00 0.00 179.45 177.34 1fif h ALA 126 N 1.33 0.81 -0.03 5.00 0.00 -1.13 -2.19 119.26 123.05 1fif h ALA 126 Ca 0.27 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1fif h ALA 126 Cb 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1fif h ALA 126 CO -0.19 0.65 -0.00 1.25 0.00 0.00 0.00 179.25 180.95 1fif h LEU 127 N 0.78 0.05 -0.94 0.00 5.85 -0.56 -1.92 115.31 118.57 1fif h LEU 127 Ca 0.11 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.52 1fif h LEU 127 Cb 0.73 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1fif h LEU 127 CO 0.06 0.37 0.62 0.00 -0.34 0.00 0.00 178.44 179.14 1fif h SER 129 N 1.25 0.91 0.07 0.00 0.87 -1.30 0.50 113.55 115.84 1fif h SER 129 Ca 0.35 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.88 1fif h SER 129 Cb -0.11 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.63 1fif h SER 129 CO -0.09 0.65 -0.08 -0.08 -0.53 0.00 0.00 176.83 176.71 1fif h GLU 130 N 1.07 0.01 -0.25 2.24 4.81 -0.57 -0.55 114.58 121.34 1fif h GLU 130 Ca 0.30 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1fif h GLU 130 Cb -0.09 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1fif h GLU 130 CO -0.08 0.09 0.00 1.28 -0.73 0.00 0.00 179.01 179.57 1fif n LEU 131 N -4.44 1.94 -2.22 1.64 4.77 -0.51 -4.91 117.00 113.27 1fif n LEU 131 Ca -0.03 -0.87 -0.15 0.00 -0.03 0.00 0.00 56.01 54.93 1fif n LEU 131 Cb 0.16 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1fif n LEU 131 CO 0.35 0.43 0.03 0.54 -1.33 0.00 0.00 177.39 177.42 1fif n ARG 132 N 0.52 -3.75 -0.36 3.23 3.00 -0.22 -5.01 116.66 114.08 1fif n ARG 132 Ca 0.15 0.61 0.00 0.00 -0.01 0.00 0.00 57.85 58.61 1fif n ARG 132 Cb 0.35 -4.86 0.00 0.00 0.00 0.00 0.00 32.46 27.95 1fif n ARG 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fif n GLY 133 N -1.33 6.05 3.19 -0.13 0.00 0.05 -4.96 105.19 108.06 1fif n GLY 133 Ca -0.06 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.30 0.15 0.18 2.61 -4.23 -0.90 -3.84 115.64 109.30 1fif s THR 134 Ca 0.00 -1.34 -0.32 0.00 -1.18 0.00 0.00 61.69 58.85 1fif s THR 134 Cb 0.00 -1.43 -0.11 0.00 1.34 0.00 0.00 72.50 72.30 1fif s THR 134 CO 0.00 -0.69 1.70 -0.69 -0.54 0.00 0.00 174.62 174.40 1fif s VAL 135 N -3.89 2.31 0.15 2.29 1.01 -1.26 0.50 120.40 121.51 1fif s VAL 135 Ca 0.07 0.15 -0.33 0.00 0.00 0.00 0.00 61.98 61.87 1fif s VAL 135 Cb 0.05 -3.10 -0.17 0.00 0.00 0.00 0.00 36.38 33.17 1fif s VAL 135 CO -0.10 0.01 1.02 0.00 0.00 0.00 0.00 175.10 176.04 1fif n ALA 136 N 4.34 -1.67 -3.78 5.51 0.00 -0.34 -3.71 120.51 120.86 1fif n ALA 136 Ca 0.16 0.48 -0.23 0.00 0.00 0.00 0.00 53.44 53.84 1fif n ALA 136 Cb 0.37 -1.90 -0.17 0.00 0.00 0.00 0.00 19.45 17.74 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 -0.34 0.53 -0.07 0.00 1.01 -1.26 -0.38 121.20 120.70 1fif s ILE 137 Ca 0.74 0.01 -0.26 0.00 0.00 0.00 0.00 60.65 61.14 1fif s ILE 137 Cb -0.94 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 1fif s ILE 137 CO 0.54 0.28 0.84 -2.84 0.00 0.00 0.00 174.94 173.76 1fif s PRO 138 N 1.81 4.44 0.00 2.79 0.02 -1.26 -4.92 135.00 137.88 1fif s PRO 138 Ca 0.03 1.12 0.17 0.00 0.02 0.00 0.00 61.00 62.35 1fif s PRO 138 Cb -0.12 -3.49 -0.18 0.00 0.02 0.00 0.00 34.50 30.72 1fif s PRO 138 CO -0.05 -0.09 0.75 0.54 -0.33 0.00 0.00 177.00 177.82 1fif n ARG 139 N 4.24 1.23 -3.83 5.54 5.12 -1.26 -4.84 116.66 122.85 1fif n ARG 139 Ca 0.03 -0.03 -0.08 0.00 -1.93 0.00 0.00 57.85 55.84 1fif n ARG 139 Cb 0.50 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 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 -2.64 -0.11 0.54 0.55 2.20 -1.26 -4.63 114.94 109.59 1fif s ASN 140 Ca 0.07 -0.91 0.24 0.00 -0.94 0.00 0.00 52.86 51.32 1fif s ASN 140 Cb 0.13 0.80 1.50 0.00 -2.00 0.00 0.00 41.25 41.68 1fif s ASN 140 CO 0.71 -1.54 2.16 0.00 -2.94 0.00 0.00 177.10 175.49 1fif h ALA 141 N 2.00 1.63 0.06 3.54 0.00 -1.97 -2.07 119.26 122.45 1fif h ALA 141 Ca -0.26 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1fif h ALA 141 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1fif h ALA 141 CO 0.33 0.06 -0.03 1.49 0.00 0.00 0.00 179.25 181.10 1fif h GLU 142 N 0.00 -0.08 0.00 0.00 4.81 -1.99 -2.28 114.58 115.04 1fif h GLU 142 Ca -0.00 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1fif h GLU 142 Cb 0.10 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1fif h GLU 142 CO 0.01 0.36 -0.32 0.93 -0.73 0.00 0.00 179.01 179.25 1fif h GLU 143 N -0.55 0.00 -0.25 1.92 5.08 -1.93 -0.31 114.58 118.53 1fif h GLU 143 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1fif h GLU 143 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1fif h GLU 143 CO 0.01 0.32 0.04 -0.97 -1.00 0.00 0.00 179.01 177.41 1fif h ASN 144 N 0.00 0.41 -0.65 1.42 -1.24 -1.35 -0.70 115.58 113.48 1fif h ASN 144 Ca -0.00 -0.27 -0.06 0.00 0.71 0.00 0.00 56.30 56.68 1fif h ASN 144 Cb 0.61 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 1fif h ASN 144 CO 0.04 0.57 0.16 0.50 -1.29 0.00 0.00 177.43 177.42 1fif h LYS 145 N 0.23 1.04 -0.50 6.67 1.63 -0.97 -2.66 116.57 122.00 1fif h LYS 145 Ca 0.08 -0.25 0.03 0.00 -0.85 0.00 0.00 60.65 59.66 1fif h LYS 145 Cb 0.34 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 1fif h LYS 145 CO 0.01 0.93 0.28 0.00 -3.45 0.00 0.00 179.45 177.21 1fif h ALA 146 N 1.06 0.64 -0.89 5.00 0.00 -0.78 -1.61 119.26 122.67 1fif h ALA 146 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1fif h ALA 146 Cb 0.36 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1fif h ALA 146 CO 0.00 -0.05 0.52 0.82 0.00 0.00 0.00 179.25 180.54 1fif h ILE 147 N 0.54 1.25 -0.29 0.00 2.04 -0.96 -2.20 117.51 117.89 1fif h ILE 147 Ca 0.21 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1fif h ILE 147 Cb 0.07 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 1fif h ILE 147 CO -0.12 0.27 0.18 1.56 0.00 0.00 0.00 178.15 180.04 1fif h GLN 148 N 1.23 0.36 -0.77 2.37 4.20 -1.05 -1.32 115.11 120.12 1fif h GLN 148 Ca 0.32 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 59.02 1fif h GLN 148 Cb -0.02 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 1fif h GLN 148 CO -0.06 0.24 0.51 0.93 -0.67 0.00 0.00 178.83 179.78 1fif h GLU 149 N 0.37 0.97 -0.09 1.46 5.08 -0.94 0.23 114.58 121.66 1fif h GLU 149 Ca 0.11 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1fif h GLU 149 Cb -0.03 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.01 1fif h GLU 149 CO -0.03 0.64 -0.44 0.28 -1.00 0.00 0.00 179.01 178.46 1fif h VAL 150 N 1.00 1.38 -0.06 3.13 2.07 -1.13 -3.34 116.25 119.30 1fif h VAL 150 Ca 0.29 -1.79 -0.24 0.00 0.82 0.00 0.00 66.70 65.79 1fif h VAL 150 Cb -0.05 2.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1fif h VAL 150 CO -0.07 0.53 -0.90 0.00 0.02 0.00 0.00 177.57 177.15 1fif h ALA 151 N 0.46 0.28 0.00 1.67 0.00 -1.00 -3.46 119.26 117.22 1fif h ALA 151 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1fif h ALA 151 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1fif h ALA 151 CO 0.09 0.72 0.00 1.63 0.00 0.00 0.00 179.25 181.69 1fif n LYS 152 N -3.86 0.00 -4.14 0.00 5.02 0.79 -4.83 118.16 111.15 1fif n LYS 152 Ca -0.08 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.96 1fif n LYS 152 Cb 0.81 -0.04 -0.07 0.00 -0.02 0.00 0.00 35.03 35.71 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 0.00 2.34 0.15 -0.18 -1.32 -1.26 -5.00 115.64 110.36 1fif s THR 153 Ca 0.00 -1.71 -0.34 0.00 -1.21 0.00 0.00 61.69 58.43 1fif s THR 153 Cb 0.00 -2.99 -0.15 0.00 -1.51 0.00 0.00 72.50 67.85 1fif s THR 153 CO 0.00 -0.01 1.49 -1.54 -2.21 0.00 0.00 174.62 172.34 1fif n SER 154 N -1.22 2.63 -4.20 8.08 3.41 -1.26 -4.83 113.62 116.23 1fif n SER 154 Ca -0.01 1.10 -0.17 0.00 -0.26 0.00 0.00 58.87 59.53 1fif n SER 154 Cb 0.64 -1.36 -0.11 0.00 -0.26 0.00 0.00 64.21 63.12 1fif n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fif s ALA 155 N 0.68 1.29 0.44 7.33 0.00 -1.25 -1.97 121.76 128.27 1fif s ALA 155 Ca 0.79 -1.18 -0.23 0.00 0.00 0.00 0.00 51.96 51.35 1fif s ALA 155 Cb -0.75 -0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.23 1fif s ALA 155 CO 0.42 0.08 1.09 -0.06 0.00 0.00 0.00 175.76 177.28 1fif s PHE 156 N -1.98 3.07 0.22 0.00 0.08 -1.17 -2.07 117.98 116.13 1fif s PHE 156 Ca 0.05 1.59 0.08 0.00 0.12 0.00 0.00 56.93 58.77 1fif s PHE 156 Cb -0.06 -3.20 -0.04 0.00 -0.57 0.00 0.00 43.02 39.15 1fif s PHE 156 CO 0.02 -0.98 0.03 -0.51 -0.10 0.00 0.00 175.22 173.69 1fif s LEU 157 N -2.96 3.37 -0.60 -0.37 1.43 -0.11 -4.62 118.68 114.82 1fif s LEU 157 Ca 0.62 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 53.20 1fif s LEU 157 Cb -0.23 -1.95 -0.18 0.00 0.03 0.00 0.00 46.19 43.86 1fif s LEU 157 CO 0.28 0.04 3.33 0.61 0.23 0.00 0.00 176.35 180.84 1fif n GLY 158 N -0.58 3.55 2.87 -3.19 0.00 0.49 -4.59 105.19 103.74 1fif n GLY 158 Ca -0.08 -1.37 -0.18 0.00 0.00 0.00 0.00 46.02 44.39 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 1.13 0.33 0.18 -0.61 1.01 -1.26 -0.69 121.20 121.29 1fif s ILE 159 Ca 0.67 -0.04 -0.16 0.00 0.00 0.00 0.00 60.65 61.13 1fif s ILE 159 Cb 0.27 -0.37 0.02 0.00 0.01 0.00 0.00 42.46 42.39 1fif s ILE 159 CO -0.03 0.16 0.46 0.42 0.00 0.00 0.00 174.94 175.94 1fif s THR 160 N 0.77 0.04 -0.26 2.92 -4.23 -0.54 -3.32 115.64 111.03 1fif s THR 160 Ca -0.09 -0.87 0.10 0.00 -1.18 0.00 0.00 61.69 59.66 1fif s THR 160 Cb -0.12 -1.56 0.46 0.00 1.34 0.00 0.00 72.50 72.61 1fif s THR 160 CO -0.01 -0.19 1.19 -0.90 -0.54 0.00 0.00 174.62 174.17 1fif n ASP 161 N -0.30 3.68 0.04 3.99 5.75 -0.84 -0.91 116.55 127.96 1fif n ASP 161 Ca -0.10 -3.52 -0.02 0.00 -0.01 0.00 0.00 54.79 51.14 1fif n ASP 161 Cb 0.63 -0.40 0.25 0.00 -1.03 0.00 0.00 41.12 40.57 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 1.92 0.42 -0.00 0.11 5.08 -1.87 -3.16 114.58 117.08 1fif h GLU 162 Ca 0.21 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1fif h GLU 162 Cb 1.40 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1fif h GLU 162 CO 0.50 0.60 -0.00 0.28 -1.00 0.00 0.00 179.01 179.39 1fif h VAL 163 N 0.38 1.51 -3.16 3.13 2.07 -1.89 -3.43 116.25 114.86 1fif h VAL 163 Ca 0.06 -1.51 -0.50 0.00 0.82 0.00 0.00 66.70 65.57 1fif h VAL 163 Cb 0.57 2.54 -0.40 0.00 -1.52 0.00 0.00 31.29 32.48 1fif h VAL 163 CO 0.04 0.39 -0.76 -0.89 0.02 0.00 0.00 177.57 176.37 1fif s THR 164 N -3.64 0.31 -0.03 2.57 2.01 -1.22 -5.11 115.64 110.52 1fif s THR 164 Ca -0.17 -0.49 -0.38 0.00 0.31 0.00 0.00 61.69 60.96 1fif s THR 164 Cb 0.00 -0.92 -0.17 0.00 0.01 0.00 0.00 72.50 71.43 1fif s THR 164 CO 0.68 -0.29 1.45 1.21 -0.69 0.00 0.00 174.62 176.98 1fif n GLU 165 N 5.13 1.10 0.00 4.92 4.07 -1.19 -0.85 120.64 133.81 1fif n GLU 165 Ca -0.08 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 57.42 1fif n GLU 165 Cb 0.47 -2.05 0.00 0.00 -0.06 0.00 0.00 31.44 29.80 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 2.97 3.27 3.26 8.31 0.00 -1.26 -4.99 105.19 116.75 1fif n GLY 166 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.59 3.06 0.25 1.61 -1.52 -0.03 -5.06 119.66 117.38 1fif s GLN 167 Ca 0.00 -2.20 -0.30 0.00 -1.95 0.00 0.00 55.36 50.91 1fif s GLN 167 Cb 0.00 -4.17 -0.09 0.00 -0.22 0.00 0.00 33.01 28.53 1fif s GLN 167 CO 0.00 -1.25 1.08 -0.06 -0.25 0.00 0.00 175.29 174.80 1fif s PHE 168 N 0.61 3.64 0.06 0.91 0.40 -1.26 -4.42 117.98 117.92 1fif s PHE 168 Ca 0.13 1.71 0.00 0.00 -0.60 0.00 0.00 56.93 58.17 1fif s PHE 168 Cb -0.19 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 40.06 1fif s PHE 168 CO -0.04 -0.42 -0.04 -1.64 0.70 0.00 0.00 175.22 173.77 1fif s MET 169 N -1.20 0.64 0.41 0.44 -1.94 -0.09 -4.12 119.30 113.45 1fif s MET 169 Ca 0.45 -1.16 -0.24 0.00 -1.71 0.00 0.00 55.69 53.04 1fif s MET 169 Cb -0.31 0.03 -0.09 0.00 2.01 0.00 0.00 34.83 36.48 1fif s MET 169 CO 0.39 -0.06 1.06 0.71 -0.01 0.00 0.00 175.02 177.10 1fif s TYR 170 N -3.37 3.22 0.37 -0.03 2.02 -0.51 -1.46 117.35 117.59 1fif s TYR 170 Ca 0.05 1.63 0.39 0.00 -0.37 0.00 0.00 57.07 58.76 1fif s TYR 170 Cb 0.04 -3.14 1.95 0.00 -0.40 0.00 0.00 41.96 40.41 1fif s TYR 170 CO -0.07 -0.71 2.17 -0.39 -1.57 0.00 0.00 175.55 174.99 1fif h VAL 171 N 2.12 0.00 -0.27 0.71 -1.51 -1.26 0.41 116.25 116.45 1fif h VAL 171 Ca -0.48 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1fif h VAL 171 Cb 1.22 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 1fif h VAL 171 CO 0.62 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.31 1fif n THR 172 N -2.98 0.35 0.00 7.19 -2.24 -1.26 -5.03 114.28 110.30 1fif n THR 172 Ca -0.02 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1fif n THR 172 Cb 0.15 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.24 1.53 0.00 3.38 0.00 0.14 -5.15 105.19 106.34 1fif n GLY 173 Ca 0.17 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 1.51 0.91 3.87 -0.02 0.00 -1.26 -4.26 105.19 105.93 1fif n GLY 174 Ca 0.00 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.23 3.03 0.16 1.61 0.52 -1.26 -1.42 118.95 118.36 1fif s ARG 175 Ca 0.00 0.59 -0.30 0.00 -0.52 0.00 0.00 55.73 55.50 1fif s ARG 175 Cb 0.00 -2.03 -0.08 0.00 0.52 0.00 0.00 34.95 33.36 1fif s ARG 175 CO 0.00 -0.94 1.19 -0.51 0.02 0.00 0.00 175.30 175.06 1fif s LEU 176 N -5.35 4.44 -0.01 2.53 1.43 -1.26 -4.79 118.68 115.67 1fif s LEU 176 Ca 0.57 2.18 0.19 0.00 -1.03 0.00 0.00 54.13 56.04 1fif s LEU 176 Cb -0.11 -3.60 -0.25 0.00 0.03 0.00 0.00 46.19 42.26 1fif s LEU 176 CO 0.53 -0.37 0.68 0.35 0.23 0.00 0.00 176.35 177.77 1fif n THR 177 N 2.76 0.00 -3.77 5.49 -2.24 -1.26 -4.94 114.28 110.32 1fif n THR 177 Ca 0.05 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 1fif n THR 177 Cb 0.45 0.66 -0.11 0.00 -2.10 0.00 0.00 70.33 69.23 1fif n THR 177 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1fif s TYR 178 N -3.02 -0.33 0.11 4.78 6.14 -1.26 -5.07 117.35 118.70 1fif s TYR 178 Ca 0.02 0.80 -0.07 0.00 0.64 0.00 0.00 57.07 58.46 1fif s TYR 178 Cb 0.14 0.11 -0.01 0.00 0.42 0.00 0.00 41.96 42.62 1fif s TYR 178 CO 0.80 -0.18 0.18 -1.54 0.64 0.00 0.00 175.55 175.46 1fif s SER 179 N 0.08 0.16 -0.34 4.32 1.04 -1.26 -4.96 113.70 112.73 1fif s SER 179 Ca -0.01 -0.82 0.15 0.00 0.48 0.00 0.00 55.95 55.76 1fif s SER 179 Cb -0.02 0.35 0.44 0.00 0.10 0.00 0.00 66.02 66.88 1fif s SER 179 CO 0.01 -0.77 1.16 -3.20 0.98 0.00 0.00 173.24 171.42 1fif n ASN 180 N -0.09 0.11 -4.77 7.02 5.15 -1.26 -5.07 115.26 116.36 1fif n ASN 180 Ca -0.12 -2.50 -0.41 0.00 -0.60 0.00 0.00 54.58 50.95 1fif n ASN 180 Cb 0.63 0.09 -0.01 0.00 -0.53 0.00 0.00 39.78 39.95 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 -1.84 2.78 0.63 1.20 0.52 -1.26 -0.45 118.94 120.52 1fif s TRP 181 Ca 0.24 1.10 -0.15 0.00 0.02 0.00 0.00 56.10 57.31 1fif s TRP 181 Cb 0.42 -3.94 -0.02 0.00 -1.15 0.00 0.00 33.47 28.79 1fif s TRP 181 CO -0.03 -2.87 1.08 0.21 0.02 0.00 0.00 176.95 175.37 1fif s LYS 182 N -1.41 3.06 0.30 4.98 2.20 0.09 -4.66 119.74 124.31 1fif s LYS 182 Ca 0.55 1.26 -0.29 0.00 -0.36 0.00 0.00 55.97 57.13 1fif s LYS 182 Cb -0.45 -1.99 -0.12 0.00 -1.51 0.00 0.00 37.83 33.76 1fif s LYS 182 CO 0.55 -1.02 1.43 1.17 -0.36 0.00 0.00 175.35 177.12 1fif n LYS 183 N -2.28 2.32 -1.00 4.03 4.81 -1.26 -1.65 118.16 123.14 1fif n LYS 183 Ca 0.09 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 1fif n LYS 183 Cb 0.53 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 33.08 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 1.51 -2.16 -4.44 3.14 8.00 -1.26 -5.03 116.55 116.30 1fif n ASP 184 Ca 0.07 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.28 1fif n ASP 184 Cb 0.35 -0.44 -0.12 0.00 -0.02 0.00 0.00 41.12 40.90 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 -0.05 1.61 0.40 -1.24 -1.52 -0.66 -4.24 119.66 113.96 1fif s GLN 185 Ca 0.00 -1.27 -0.17 0.00 -1.95 0.00 0.00 55.36 51.98 1fif s GLN 185 Cb 0.00 -2.01 -0.09 0.00 -0.22 0.00 0.00 33.01 30.69 1fif s GLN 185 CO 0.00 0.46 0.85 -1.25 -0.25 0.00 0.00 175.29 175.10 1fif s PRO 186 N -2.14 4.04 0.00 2.91 0.04 -1.26 -4.64 135.00 133.96 1fif s PRO 186 Ca 0.16 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1fif s PRO 186 Cb -0.10 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1fif s PRO 186 CO 0.08 0.01 0.20 -0.40 0.04 0.00 0.00 177.00 176.93 1fif n ASP 187 N -0.75 0.39 -3.79 6.66 5.75 -1.26 -5.04 116.55 118.52 1fif n ASP 187 Ca 0.05 -0.78 -0.24 0.00 -0.01 0.00 0.00 54.79 53.81 1fif n ASP 187 Cb 0.54 0.17 0.01 0.00 -1.03 0.00 0.00 41.12 40.81 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 -0.17 -1.29 -4.77 -1.12 2.03 -1.26 -4.91 116.55 105.06 1fif n ASP 188 Ca 0.00 -0.91 -0.40 0.00 0.52 0.00 0.00 54.79 54.00 1fif n ASP 188 Cb 0.08 -3.62 -0.02 0.00 -0.72 0.00 0.00 41.12 36.83 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 -3.76 3.05 -0.04 -0.67 -0.00 -1.26 -4.41 118.94 111.84 1fif s TRP 189 Ca 0.05 1.45 0.20 0.00 -0.00 0.00 0.00 56.10 57.80 1fif s TRP 189 Cb -0.02 -3.63 -0.30 0.00 -0.00 0.00 0.00 33.47 29.53 1fif s TRP 189 CO 0.85 -1.76 0.40 0.98 -0.00 0.00 0.00 176.95 177.41 1fif n TYR 190 N 0.65 0.00 0.00 5.86 9.36 -1.26 -3.86 117.16 127.90 1fif n TYR 190 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1fif n TYR 190 Cb 0.43 -0.50 0.00 0.00 -0.63 0.00 0.00 39.34 38.64 1fif n TYR 190 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1fif n GLY 191 N 1.42 -0.33 0.00 2.98 0.00 -1.26 -2.47 105.19 105.54 1fif n GLY 191 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.03 1fif n GLY 191 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1fif n HIS 192 N -1.31 0.00 -1.09 1.61 1.44 -1.26 -4.86 115.22 109.74 1fif n HIS 192 Ca 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.68 1fif n HIS 192 Cb 0.03 -0.43 -0.01 0.00 0.12 0.00 0.00 29.99 29.70 1fif n HIS 192 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1fif n GLY 193 N -0.05 0.41 0.57 -1.39 0.00 -1.03 -4.84 105.19 98.86 1fif n GLY 193 Ca 0.05 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.35 1.79 0.00 0.99 4.77 -1.26 -5.03 117.00 117.91 1fif n LEU 194 Ca -0.03 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1fif n LEU 194 Cb 0.41 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1fif n LEU 194 CO 0.05 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1fif n GLY 195 N 1.21 0.32 4.38 -0.72 0.00 -1.26 -5.06 105.19 104.06 1fif n GLY 195 Ca 0.18 -1.40 0.04 0.00 0.00 0.00 0.00 46.02 44.83 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 1.10 -1.79 0.00 -0.02 0.00 -1.26 -4.95 105.19 98.27 1fif n GLY 196 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.03 0.68 2.64 -0.02 0.00 -1.26 -4.50 105.19 101.70 1fif n GLY 197 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 2.68 0.02 0.00 1.61 2.02 -1.25 -4.31 118.70 119.47 1fif s GLU 198 Ca 0.00 0.09 0.03 0.00 0.02 0.00 0.00 54.97 55.11 1fif s GLU 198 Cb 0.00 -1.35 0.04 0.00 0.10 0.00 0.00 34.13 32.92 1fif s GLU 198 CO 0.00 -0.55 0.70 -0.25 0.02 0.00 0.00 175.26 175.17 1fif n ASP 199 N 5.29 1.47 -4.69 -0.19 8.00 -1.14 -4.47 116.55 120.81 1fif n ASP 199 Ca -0.06 -1.31 -0.24 0.00 0.71 0.00 0.00 54.79 53.90 1fif n ASP 199 Cb 0.49 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 1fif n ASP 199 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fif s VAL 201 N -2.45 1.45 0.02 0.00 1.01 -1.21 -0.07 120.40 119.15 1fif s VAL 201 Ca 0.36 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1fif s VAL 201 Cb -0.02 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 1fif s VAL 201 CO 0.21 0.39 0.02 -1.38 0.00 0.00 0.00 175.10 174.34 1fif s HIS 202 N -0.46 0.23 0.06 5.22 -3.43 -0.75 -0.93 115.29 115.24 1fif s HIS 202 Ca 0.07 -0.49 -0.23 0.00 -0.80 0.00 0.00 55.06 53.61 1fif s HIS 202 Cb -0.07 -0.17 -0.06 0.00 -1.43 0.00 0.00 32.58 30.84 1fif s HIS 202 CO -0.01 -0.24 0.69 0.42 -2.00 0.00 0.00 174.74 173.61 1fif s ILE 203 N -1.76 4.69 0.30 -5.38 1.01 -0.88 -2.05 121.20 117.14 1fif s ILE 203 Ca -0.13 1.48 0.01 0.00 0.00 0.00 0.00 60.65 62.02 1fif s ILE 203 Cb -0.07 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.37 1fif s ILE 203 CO -0.02 0.45 0.11 1.33 0.00 0.00 0.00 174.94 176.81 1fif n VAL 204 N 2.33 0.00 -1.65 2.92 0.24 0.36 -3.92 118.33 118.61 1fif n VAL 204 Ca -0.06 -1.31 -0.45 0.00 -2.04 0.00 0.00 64.34 60.48 1fif n VAL 204 Cb 0.50 0.04 -0.02 0.00 -1.47 0.00 0.00 33.84 32.88 1fif n VAL 204 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1fif n ASP 205 N -1.52 2.29 0.00 -1.34 8.00 -1.26 -1.17 116.55 121.55 1fif n ASP 205 Ca -0.07 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.59 1fif n ASP 205 Cb 0.36 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 1fif n ASP 205 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1fif n ASN 206 N 1.76 -1.64 0.00 -2.24 5.15 -1.26 -3.96 115.26 113.06 1fif n ASN 206 Ca 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 1fif n ASN 206 Cb 0.31 -0.27 0.00 0.00 -0.53 0.00 0.00 39.78 39.29 1fif n ASN 206 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1fif n GLY 207 N -2.55 0.67 3.72 8.20 0.00 -0.32 -5.00 105.19 109.91 1fif n GLY 207 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.11 0.09 0.99 1.43 -1.23 -4.68 118.68 117.39 1fif s LEU 208 Ca 0.00 1.38 0.07 0.00 -1.03 0.00 0.00 54.13 54.55 1fif s LEU 208 Cb 0.00 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1fif s LEU 208 CO 0.00 -2.71 -0.12 0.26 0.23 0.00 0.00 176.35 174.01 1fif s TRP 209 N -2.97 2.70 -0.03 0.29 0.51 0.41 -0.49 118.94 119.36 1fif s TRP 209 Ca 0.64 -0.18 -0.03 0.00 -2.12 0.00 0.00 56.10 54.41 1fif s TRP 209 Cb -0.18 -1.43 0.01 0.00 -0.81 0.00 0.00 33.47 31.05 1fif s TRP 209 CO 0.57 0.40 0.08 -0.80 -0.51 0.00 0.00 176.95 176.69 1fif s ASN 210 N -2.06 -0.07 0.00 2.95 0.01 -0.87 -0.73 114.94 114.18 1fif s ASN 210 Ca 0.20 0.12 -0.20 0.00 -0.71 0.00 0.00 52.86 52.27 1fif s ASN 210 Cb -0.11 0.17 -0.06 0.00 0.41 0.00 0.00 41.25 41.67 1fif s ASN 210 CO 0.12 -0.06 0.57 1.51 -1.51 0.00 0.00 177.10 177.72 1fif s ASP 211 N -0.11 6.96 0.28 -1.22 -4.77 -1.26 -1.80 116.67 114.75 1fif s ASP 211 Ca -0.02 1.14 0.03 0.00 -3.30 0.00 0.00 52.55 50.41 1fif s ASP 211 Cb -0.01 -2.35 -0.03 0.00 -1.09 0.00 0.00 42.92 39.43 1fif s ASP 211 CO 0.00 0.14 0.24 -0.62 0.70 0.00 0.00 175.17 175.64 1fif s ASP 212 N -0.38 1.05 0.20 2.11 -1.08 0.90 -4.85 116.67 114.63 1fif s ASP 212 Ca 0.30 -1.59 -0.30 0.00 -0.52 0.00 0.00 52.55 50.43 1fif s ASP 212 Cb -0.18 0.50 -0.09 0.00 -1.46 0.00 0.00 42.92 41.69 1fif s ASP 212 CO 0.17 -1.00 1.40 -0.55 0.52 0.00 0.00 175.17 175.71 1fif s SER 213 N -3.28 6.75 0.00 -0.34 0.15 -1.26 -1.90 113.70 113.82 1fif s SER 213 Ca 0.39 2.52 0.09 0.00 0.70 0.00 0.00 55.95 59.65 1fif s SER 213 Cb 0.04 -2.61 0.39 0.00 -1.71 0.00 0.00 66.02 62.13 1fif s SER 213 CO 0.21 -0.65 1.26 0.00 1.20 0.00 0.00 173.24 175.26 1fif h GLN 215 N 0.00 0.00 -6.81 0.00 1.08 -1.96 -0.91 115.11 106.51 1fif h GLN 215 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 1fif h GLN 215 Cb 0.14 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.60 1fif h GLN 215 CO 0.00 0.14 0.57 1.03 -0.95 0.00 0.00 178.83 179.61 1fif s ARG 216 N -3.16 4.49 -0.17 1.46 0.52 -0.69 -4.58 118.95 116.81 1fif s ARG 216 Ca 0.04 2.00 -0.26 0.00 -0.52 0.00 0.00 55.73 56.99 1fif s ARG 216 Cb 0.07 -3.15 -0.01 0.00 0.52 0.00 0.00 34.95 32.38 1fif s ARG 216 CO 0.72 -0.02 0.87 -1.25 0.02 0.00 0.00 175.30 175.64 1fif s PRO 217 N -1.33 4.30 0.26 3.54 0.04 -1.26 -4.21 135.00 136.34 1fif s PRO 217 Ca 0.48 1.09 0.06 0.00 0.04 0.00 0.00 61.00 62.67 1fif s PRO 217 Cb -0.36 -3.58 -0.06 0.00 0.04 0.00 0.00 34.50 30.55 1fif s PRO 217 CO 0.45 -0.37 -0.05 0.71 0.04 0.00 0.00 177.00 177.78 1fif s TYR 218 N 2.28 1.82 0.20 0.56 4.12 -0.72 -4.54 117.35 121.06 1fif s TYR 218 Ca 0.40 -0.75 -0.32 0.00 0.02 0.00 0.00 57.07 56.42 1fif s TYR 218 Cb -0.17 -1.03 -0.12 0.00 -1.52 0.00 0.00 41.96 39.12 1fif s TYR 218 CO 0.12 0.20 1.72 2.41 0.02 0.00 0.00 175.55 180.02 1fif n THR 219 N -0.52 0.03 -2.72 -0.71 -1.04 -0.83 -1.62 114.28 106.87 1fif n THR 219 Ca -0.06 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.52 1fif n THR 219 Cb 0.63 -1.95 -0.03 0.00 -1.82 0.00 0.00 70.33 67.17 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 1.26 3.61 -0.18 2.41 0.00 -0.47 -3.06 121.76 125.33 1fif s ALA 220 Ca 0.76 -0.01 -0.00 0.00 0.00 0.00 0.00 51.96 52.71 1fif s ALA 220 Cb -0.52 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.12 1fif s ALA 220 CO 0.33 -1.18 -0.07 0.08 0.00 0.00 0.00 175.76 174.93 1fif s VAL 221 N 3.25 1.26 0.20 0.00 1.01 -1.26 -4.09 120.40 120.76 1fif s VAL 221 Ca 0.42 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1fif s VAL 221 Cb -0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1fif s VAL 221 CO 0.10 0.13 0.35 0.00 0.00 0.00 0.00 175.10 175.68 1fif s GLU 223 N -3.51 1.92 0.01 0.00 2.12 0.18 -1.52 118.70 117.90 1fif s GLU 223 Ca 0.36 -1.05 0.04 0.00 0.36 0.00 0.00 54.97 54.69 1fif s GLU 223 Cb -0.10 -2.03 -0.01 0.00 0.26 0.00 0.00 34.13 32.24 1fif s GLU 223 CO 0.29 0.53 -0.14 -0.06 -0.54 0.00 0.00 175.26 175.35 1fif s PHE 224 N -0.78 1.21 0.56 5.30 0.08 -0.50 -2.12 117.98 121.72 1fif s PHE 224 Ca 0.12 -0.27 -0.20 0.00 0.12 0.00 0.00 56.93 56.70 1fif s PHE 224 Cb -0.10 -0.76 -0.07 0.00 -0.57 0.00 0.00 43.02 41.53 1fif s PHE 224 CO 0.02 0.00 0.91 -2.30 -0.10 0.00 0.00 175.22 173.75 1fif n PRO 225 N 2.43 0.95 0.00 0.24 -0.02 -1.26 -1.74 135.00 135.59 1fif n PRO 225 Ca -0.16 0.36 0.01 0.00 -2.02 0.00 0.00 63.50 61.69 1fif n PRO 225 Cb 0.55 -2.07 0.06 0.00 -0.02 0.00 0.00 33.50 32.02 1fif n PRO 225 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48