#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fvx s LYS 2 N 0.00 0.35 -0.16 0.03 1.02 -1.26 -1.70 119.74 118.02 1fvx s LYS 2 Ca 0.00 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 55.74 1fvx s LYS 2 Cb 0.00 -0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.05 1fvx s LYS 2 CO 0.00 0.07 -0.17 0.42 -0.92 0.00 0.00 175.35 174.75 1fvx s ILE 3 N -0.36 1.79 -0.11 2.17 1.01 0.26 -3.58 121.20 122.39 1fvx s ILE 3 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1fvx s ILE 3 Cb -0.03 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 1fvx s ILE 3 CO -0.00 0.50 -0.10 -0.69 0.00 0.00 0.00 174.94 174.64 1fvx s VAL 4 N 1.32 3.33 0.18 2.92 1.01 -0.39 0.81 120.40 129.59 1fvx s VAL 4 Ca 0.03 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1fvx s VAL 4 Cb -0.13 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.87 1fvx s VAL 4 CO -0.10 0.55 0.41 -0.72 0.00 0.00 0.00 175.10 175.23 1fvx s TYR 5 N -0.09 0.12 -0.02 5.22 1.13 -0.86 -1.23 117.35 121.62 1fvx s TYR 5 Ca -0.01 -0.48 0.05 0.00 -1.41 0.00 0.00 57.07 55.22 1fvx s TYR 5 Cb -0.14 0.18 -0.01 0.00 -1.10 0.00 0.00 41.96 40.90 1fvx s TYR 5 CO 0.03 -0.82 -0.16 -0.46 -2.51 0.00 0.00 175.55 171.63 1fvx s TRP 6 N -3.92 1.53 -0.11 -3.49 -0.00 -0.58 -0.29 118.94 112.09 1fvx s TRP 6 Ca 0.13 -0.35 -0.05 0.00 -0.00 0.00 0.00 56.10 55.83 1fvx s TRP 6 Cb 0.01 -1.01 0.05 0.00 -0.00 0.00 0.00 33.47 32.52 1fvx s TRP 6 CO -0.02 -0.08 0.24 0.45 -0.00 0.00 0.00 176.95 177.54 1fvx s SER 7 N -0.20 -0.02 0.01 5.86 0.15 -1.26 -3.92 113.70 114.32 1fvx s SER 7 Ca 0.02 0.51 0.04 0.00 0.70 0.00 0.00 55.95 57.23 1fvx s SER 7 Cb -0.08 0.46 -0.24 0.00 -1.71 0.00 0.00 66.02 64.44 1fvx s SER 7 CO 0.00 -0.19 0.89 1.23 1.20 0.00 0.00 173.24 176.37 1fvx h GLY 8 N 7.57 0.13 0.00 9.45 0.00 -2.00 -3.40 103.07 114.81 1fvx h GLY 8 Ca -0.32 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1fvx h GLY 8 CO 0.30 0.28 0.00 -1.30 0.00 0.00 0.00 176.54 175.82 1fvx n THR 9 N -3.30 0.00 0.00 4.70 -2.24 -1.26 -5.03 114.28 107.15 1fvx n THR 9 Ca -0.13 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1fvx n THR 9 Cb 1.02 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 70.50 1fvx n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fvx n GLY 10 N 0.16 0.71 0.06 3.38 0.00 -1.26 -5.01 105.19 103.22 1fvx n GLY 10 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1fvx n GLY 10 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1fvx h ASN 11 N 0.00 -0.01 0.17 1.61 -0.26 -1.93 -1.10 115.58 114.05 1fvx h ASN 11 Ca 0.00 -0.40 -0.10 0.00 -0.56 0.00 0.00 56.30 55.24 1fvx h ASN 11 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1fvx h ASN 11 CO 0.00 0.40 -0.36 0.74 -1.06 0.00 0.00 177.43 177.14 1fvx h THR 12 N -0.43 1.29 -0.53 2.81 2.02 -1.89 -2.15 112.91 114.04 1fvx h THR 12 Ca -0.00 -1.41 -0.03 0.00 0.77 0.00 0.00 66.41 65.74 1fvx h THR 12 Cb 0.41 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 1fvx h THR 12 CO 0.00 0.42 0.21 -0.08 0.37 0.00 0.00 175.52 176.45 1fvx h GLU 13 N 0.23 0.79 -0.65 6.66 4.81 -1.83 -0.52 114.58 124.06 1fvx h GLU 13 Ca 0.03 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1fvx h GLU 13 Cb 0.75 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1fvx h GLU 13 CO 0.06 0.69 0.33 -0.22 -0.73 0.00 0.00 179.01 179.14 1fvx h LYS 14 N 0.71 0.93 -0.55 1.92 1.63 -0.98 -1.73 116.57 118.50 1fvx h LYS 14 Ca 0.18 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1fvx h LYS 14 Cb 0.20 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.63 1fvx h LYS 14 CO -0.01 0.72 0.36 0.52 -3.45 0.00 0.00 179.45 177.59 1fvx h MET 15 N 0.89 0.71 -0.51 1.90 2.86 -1.01 -2.06 114.93 117.71 1fvx h MET 15 Ca 0.23 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 1fvx h MET 15 Cb 0.09 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 1fvx h MET 15 CO -0.03 0.47 0.27 0.00 1.06 0.00 0.00 176.91 178.67 1fvx h ALA 16 N 1.21 0.66 -0.59 6.32 0.00 -0.61 0.06 119.26 126.31 1fvx h ALA 16 Ca 0.21 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1fvx h ALA 16 Cb -0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1fvx h ALA 16 CO -0.05 -0.08 0.37 0.93 0.00 0.00 0.00 179.25 180.42 1fvx h GLU 17 N 0.52 0.71 -0.37 0.00 5.08 -1.04 -0.69 114.58 118.78 1fvx h GLU 17 Ca 0.22 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 1fvx h GLU 17 Cb 0.12 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1fvx h GLU 17 CO -0.15 0.47 -0.34 -0.07 -1.00 0.00 0.00 179.01 177.92 1fvx h LEU 18 N 0.73 0.89 -0.82 1.33 3.38 -0.90 -1.06 115.31 118.87 1fvx h LEU 18 Ca 0.23 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1fvx h LEU 18 Cb -0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1fvx h LEU 18 CO -0.09 1.14 0.37 0.40 0.09 0.00 0.00 178.44 180.36 1fvx h ILE 19 N 0.71 1.26 -0.52 1.22 2.04 -0.73 -2.02 117.51 119.46 1fvx h ILE 19 Ca 0.07 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 1fvx h ILE 19 Cb 0.90 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1fvx h ILE 19 CO 0.08 0.32 0.12 0.00 0.00 0.00 0.00 178.15 178.67 1fvx h ALA 20 N 1.20 0.69 -0.91 1.87 0.00 -0.89 -2.43 119.26 118.78 1fvx h ALA 20 Ca 0.28 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1fvx h ALA 20 Cb 0.15 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1fvx h ALA 20 CO -0.03 0.39 0.57 -0.22 0.00 0.00 0.00 179.25 179.96 1fvx h LYS 21 N 0.73 0.97 -0.50 0.00 3.64 -0.79 0.08 116.57 120.71 1fvx h LYS 21 Ca 0.16 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1fvx h LYS 21 Cb 0.35 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1fvx h LYS 21 CO 0.00 0.64 -0.03 0.78 -2.27 0.00 0.00 179.45 178.57 1fvx h GLY 22 N 1.00 0.92 0.93 5.01 0.00 -1.02 0.94 103.07 110.85 1fvx h GLY 22 Ca 0.41 -0.65 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 1fvx h GLY 22 CO -0.20 0.60 -0.15 -2.22 0.00 0.00 0.00 176.54 174.56 1fvx h ILE 23 N 0.78 1.29 -0.38 2.60 2.04 -0.88 -2.18 117.51 120.78 1fvx h ILE 23 Ca 0.14 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 1fvx h ILE 23 Cb 0.52 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1fvx h ILE 23 CO 0.03 0.41 0.15 0.40 0.00 0.00 0.00 178.15 179.13 1fvx h ILE 24 N 0.42 1.19 -0.10 -0.67 2.04 -0.80 -1.85 117.51 117.75 1fvx h ILE 24 Ca 0.07 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.36 1fvx h ILE 24 Cb 0.68 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1fvx h ILE 24 CO 0.05 0.22 0.08 -0.33 0.00 0.00 0.00 178.15 178.16 1fvx h GLU 25 N 0.47 0.00 0.00 2.37 5.08 -0.73 0.38 114.58 122.14 1fvx h GLU 25 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1fvx h GLU 25 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1fvx h GLU 25 CO -0.01 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.43 1fvx n SER 26 N -4.26 0.00 0.00 1.42 7.64 -0.72 -4.90 113.62 112.80 1fvx n SER 26 Ca -0.01 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.19 1fvx n SER 26 Cb 0.19 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1fvx n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fvx n GLY 27 N 0.97 0.65 3.74 0.23 0.00 0.13 -5.09 105.19 105.82 1fvx n GLY 27 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1fvx n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fvx s LYS 28 N -0.86 2.57 0.20 1.61 1.02 -1.06 -5.01 119.74 118.21 1fvx s LYS 28 Ca 0.00 -1.31 -0.03 0.00 0.02 0.00 0.00 55.97 54.65 1fvx s LYS 28 Cb 0.00 -2.33 -0.05 0.00 -0.52 0.00 0.00 37.83 34.93 1fvx s LYS 28 CO 0.00 0.30 0.43 0.34 -0.92 0.00 0.00 175.35 175.50 1fvx s ASP 29 N -3.79 6.44 -0.11 2.83 2.15 -1.26 -3.47 116.67 119.46 1fvx s ASP 29 Ca 0.34 0.55 -0.23 0.00 0.43 0.00 0.00 52.55 53.64 1fvx s ASP 29 Cb -0.06 -2.07 0.06 0.00 -0.30 0.00 0.00 42.92 40.54 1fvx s ASP 29 CO 0.23 -0.05 0.57 0.54 -0.17 0.00 0.00 175.17 176.29 1fvx s VAL 30 N -1.85 0.01 -0.06 1.11 0.11 -1.26 -1.39 120.40 117.08 1fvx s VAL 30 Ca 0.41 -0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.41 1fvx s VAL 30 Cb -0.11 -0.85 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 1fvx s VAL 30 CO 0.27 -0.05 -0.21 0.20 -3.33 0.00 0.00 175.10 171.98 1fvx s ASN 31 N -0.63 2.67 -0.19 3.54 -0.87 -0.69 -4.93 114.94 113.85 1fvx s ASN 31 Ca -0.07 -0.45 -0.10 0.00 -1.57 0.00 0.00 52.86 50.67 1fvx s ASN 31 Cb -0.03 -0.80 -0.05 0.00 -0.02 0.00 0.00 41.25 40.36 1fvx s ASN 31 CO 0.05 0.19 0.15 0.42 -2.57 0.00 0.00 177.10 175.34 1fvx s THR 32 N -0.01 5.41 -0.07 1.60 -4.23 -1.26 -0.57 115.64 116.50 1fvx s THR 32 Ca -0.05 0.23 0.02 0.00 -1.18 0.00 0.00 61.69 60.70 1fvx s THR 32 Cb -0.13 -3.48 0.02 0.00 1.34 0.00 0.00 72.50 70.25 1fvx s THR 32 CO 0.04 0.45 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.83 1fvx s ILE 33 N 0.23 1.06 0.34 2.99 1.01 0.24 -4.93 121.20 122.14 1fvx s ILE 33 Ca 0.09 -0.40 -0.27 0.00 0.00 0.00 0.00 60.65 60.07 1fvx s ILE 33 Cb -0.11 -1.00 -0.09 0.00 0.01 0.00 0.00 42.46 41.27 1fvx s ILE 33 CO -0.01 0.35 1.17 0.21 0.00 0.00 0.00 174.94 176.66 1fvx s ASN 34 N 0.93 6.85 0.54 3.58 3.84 -1.26 -2.02 114.94 127.40 1fvx s ASN 34 Ca -0.10 2.39 0.31 0.00 0.21 0.00 0.00 52.86 55.67 1fvx s ASN 34 Cb -0.15 -2.63 1.48 0.00 -0.55 0.00 0.00 41.25 39.41 1fvx s ASN 34 CO 0.01 -0.45 1.88 1.62 -2.79 0.00 0.00 177.10 177.37 1fvx h VAL 35 N 2.75 0.52 0.00 -5.21 3.04 -1.00 0.55 116.25 116.90 1fvx h VAL 35 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1fvx h VAL 35 Cb 1.22 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 1fvx h VAL 35 CO 0.65 0.00 0.00 0.77 -1.01 0.00 0.00 177.57 177.98 1fvx h SER 36 N 0.00 0.00 -0.32 3.17 4.64 -1.90 -3.12 113.55 116.02 1fvx h SER 36 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1fvx h SER 36 Cb 1.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 1fvx h SER 36 CO -0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 1fvx n ASP 37 N -2.96 2.87 -4.78 4.97 8.00 0.18 -5.03 116.55 119.80 1fvx n ASP 37 Ca 0.01 -1.88 -0.36 0.00 0.71 0.00 0.00 54.79 53.26 1fvx n ASP 37 Cb 0.32 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 1fvx n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1fvx s VAL 38 N -1.04 3.79 -0.29 2.53 0.11 -1.17 -4.94 120.40 119.40 1fvx s VAL 38 Ca 0.25 1.38 -0.03 0.00 -2.93 0.00 0.00 61.98 60.65 1fvx s VAL 38 Cb 0.14 -3.72 0.04 0.00 -1.53 0.00 0.00 36.38 31.31 1fvx s VAL 38 CO 0.19 0.01 0.01 0.21 -3.33 0.00 0.00 175.10 172.19 1fvx s ASN 39 N -1.58 4.81 0.18 3.54 3.84 -1.26 -5.02 114.94 119.45 1fvx s ASN 39 Ca 0.57 -1.06 -0.15 0.00 0.21 0.00 0.00 52.86 52.42 1fvx s ASN 39 Cb -0.21 -1.74 0.15 0.00 -0.55 0.00 0.00 41.25 38.89 1fvx s ASN 39 CO 0.27 -0.22 1.67 0.40 -2.79 0.00 0.00 177.10 176.43 1fvx h ILE 40 N 6.25 0.59 -0.68 -5.21 1.08 -1.99 -2.01 117.51 115.54 1fvx h ILE 40 Ca -0.26 -0.02 0.09 0.00 -0.39 0.00 0.00 64.86 64.28 1fvx h ILE 40 Cb 1.09 0.53 -0.07 0.00 -3.07 0.00 0.00 36.82 35.30 1fvx h ILE 40 CO 0.56 0.01 0.33 0.44 -0.69 0.00 0.00 178.15 178.80 1fvx h ASP 41 N 0.06 0.42 -0.16 1.72 3.32 -1.99 -0.51 116.42 119.28 1fvx h ASP 41 Ca 0.23 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.17 1fvx h ASP 41 Cb 0.34 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 1fvx h ASP 41 CO -0.42 0.24 -0.49 -0.33 -1.72 0.00 0.00 179.24 176.52 1fvx h GLU 42 N 0.57 0.73 -0.62 3.56 5.08 -1.91 -3.15 114.58 118.83 1fvx h GLU 42 Ca 0.34 -0.43 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1fvx h GLU 42 Cb 0.36 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1fvx h GLU 42 CO -0.27 1.05 0.12 1.25 -1.00 0.00 0.00 179.01 180.16 1fvx h LEU 43 N 0.57 0.95 0.00 1.33 5.85 -0.63 -2.81 115.31 120.57 1fvx h LEU 43 Ca 0.03 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1fvx h LEU 43 Cb 1.06 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1fvx h LEU 43 CO 0.10 0.93 0.00 0.18 -0.34 0.00 0.00 178.44 179.32 1fvx n LEU 44 N -4.23 0.00 0.07 2.25 4.32 -0.27 -1.96 117.00 117.17 1fvx n LEU 44 Ca 0.04 0.32 0.12 0.00 -0.02 0.00 0.00 56.01 56.47 1fvx n LEU 44 Cb 0.27 -0.32 0.09 0.00 -1.62 0.00 0.00 43.42 41.84 1fvx n LEU 44 CO 0.42 -0.21 0.20 0.78 -1.22 0.00 0.00 177.39 177.36 1fvx h ASN 45 N 0.00 0.00 -4.04 -1.43 2.35 -1.58 -3.48 115.58 107.40 1fvx h ASN 45 Ca 0.00 -0.17 -0.54 0.00 -0.55 0.00 0.00 56.30 55.04 1fvx h ASN 45 Cb 0.11 0.00 0.11 0.00 0.05 0.00 0.00 38.32 38.60 1fvx h ASN 45 CO 0.00 0.08 0.57 -1.61 -1.65 0.00 0.00 177.43 174.82 1fvx s GLU 46 N -3.23 3.31 0.01 0.81 0.41 -0.83 -4.97 118.70 114.21 1fvx s GLU 46 Ca 0.04 2.09 -0.23 0.00 -0.41 0.00 0.00 54.97 56.45 1fvx s GLU 46 Cb 0.12 -2.29 -0.18 0.00 -1.78 0.00 0.00 34.13 30.01 1fvx s GLU 46 CO 0.75 -1.01 1.32 0.38 -0.49 0.00 0.00 175.26 176.21 1fvx h ASP 47 N 1.61 0.16 -3.92 -0.19 2.03 -1.92 -3.44 116.42 110.74 1fvx h ASP 47 Ca -0.50 -0.47 -0.61 0.00 -0.73 0.00 0.00 57.03 54.72 1fvx h ASP 47 Cb 1.28 -0.04 -0.31 0.00 -0.83 0.00 0.00 39.33 39.43 1fvx h ASP 47 CO 0.58 0.59 -0.85 -0.63 -1.03 0.00 0.00 179.24 177.90 1fvx s ILE 48 N -4.34 1.65 -0.24 4.15 1.01 -1.26 -3.77 121.20 118.39 1fvx s ILE 48 Ca -0.15 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.56 1fvx s ILE 48 Cb 0.03 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 1fvx s ILE 48 CO 0.71 0.47 0.15 -0.76 0.00 0.00 0.00 174.94 175.50 1fvx s LEU 49 N -0.01 4.02 -0.30 2.97 1.43 -0.00 -4.60 118.68 122.18 1fvx s LEU 49 Ca -0.04 0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1fvx s LEU 49 Cb -0.12 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.05 1fvx s LEU 49 CO 0.03 0.06 0.03 -0.63 0.23 0.00 0.00 176.35 176.07 1fvx s ILE 50 N 1.10 3.38 -0.06 -0.59 1.01 -1.23 -0.54 121.20 124.26 1fvx s ILE 50 Ca 0.07 -1.10 0.05 0.00 0.00 0.00 0.00 60.65 59.67 1fvx s ILE 50 Cb -0.14 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 1fvx s ILE 50 CO 0.05 -0.02 -0.22 -0.76 0.00 0.00 0.00 174.94 173.99 1fvx s LEU 51 N 1.36 2.00 0.02 2.97 1.43 -0.23 -1.26 118.68 124.97 1fvx s LEU 51 Ca -0.02 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1fvx s LEU 51 Cb -0.18 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 1fvx s LEU 51 CO -0.00 0.19 -0.06 -0.83 0.23 0.00 0.00 176.35 175.88 1fvx s GLY 52 N 0.04 0.34 -0.28 -3.19 0.00 -0.37 -1.99 107.32 101.87 1fvx s GLY 52 Ca -0.07 -0.44 -0.22 0.00 0.00 0.00 0.00 44.72 43.99 1fvx s GLY 52 CO 0.04 -0.44 0.80 0.00 0.00 0.00 0.00 173.10 173.50 1fvx s SER 54 N 0.80 3.55 -0.16 0.00 1.04 -1.25 -4.33 113.70 113.35 1fvx s SER 54 Ca -0.03 1.26 -0.29 0.00 0.48 0.00 0.00 55.95 57.36 1fvx s SER 54 Cb -0.05 -1.92 -0.00 0.00 0.10 0.00 0.00 66.02 64.14 1fvx s SER 54 CO -0.08 -2.56 1.03 0.00 0.98 0.00 0.00 173.24 172.61 1fvx s ALA 55 N -3.07 3.53 0.47 5.32 0.00 -0.74 -4.39 121.76 122.87 1fvx s ALA 55 Ca 0.63 0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.95 1fvx s ALA 55 Cb -0.16 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1fvx s ALA 55 CO 0.56 -0.80 0.28 -1.64 0.00 0.00 0.00 175.76 174.15 1fvx s MET 56 N 2.53 2.28 0.00 0.00 -1.94 -0.11 -4.86 119.30 117.20 1fvx s MET 56 Ca 0.47 -1.91 -0.30 0.00 -1.71 0.00 0.00 55.69 52.24 1fvx s MET 56 Cb -0.17 -2.05 -0.03 0.00 2.01 0.00 0.00 34.83 34.59 1fvx s MET 56 CO 0.13 -0.33 1.03 0.54 -0.01 0.00 0.00 175.02 176.38 1fvx s ASN 57 N -4.07 7.30 -0.33 3.03 4.22 -1.26 0.34 114.94 124.16 1fvx s ASN 57 Ca 0.37 1.72 0.00 0.00 -2.14 0.00 0.00 52.86 52.81 1fvx s ASN 57 Cb 0.00 -2.57 0.08 0.00 1.28 0.00 0.00 41.25 40.04 1fvx s ASN 57 CO 0.21 -0.32 0.05 -0.62 -2.04 0.00 0.00 177.10 174.38 1fvx s ASP 58 N 1.04 4.87 -1.07 3.54 2.15 -1.26 -4.63 116.67 121.31 1fvx s ASP 58 Ca 0.53 -1.73 -0.02 0.00 0.43 0.00 0.00 52.55 51.76 1fvx s ASP 58 Cb -0.22 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 40.71 1fvx s ASP 58 CO 0.27 -0.35 0.90 -0.62 -0.17 0.00 0.00 175.17 175.21 1fvx n GLU 59 N 4.48 -6.02 -4.33 4.34 -0.58 0.15 -4.98 120.64 113.70 1fvx n GLU 59 Ca -0.06 0.74 -0.17 0.00 -0.42 0.00 0.00 57.16 57.25 1fvx n GLU 59 Cb 0.42 -5.44 -0.10 0.00 -0.57 0.00 0.00 31.44 25.75 1fvx n GLU 59 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1fvx s VAL 60 N -3.31 1.06 0.68 2.62 -7.23 -0.25 -3.97 120.40 110.01 1fvx s VAL 60 Ca 0.11 -2.04 -0.14 0.00 -1.81 0.00 0.00 61.98 58.10 1fvx s VAL 60 Cb -0.05 -2.32 0.01 0.00 0.56 0.00 0.00 36.38 34.59 1fvx s VAL 60 CO 0.64 -0.35 1.09 -0.76 -0.31 0.00 0.00 175.10 175.41 1fvx s LEU 61 N -3.30 3.29 0.20 1.32 1.43 -1.26 -0.93 118.68 119.43 1fvx s LEU 61 Ca 0.28 1.90 -0.33 0.00 -1.03 0.00 0.00 54.13 54.95 1fvx s LEU 61 Cb 0.05 -4.54 -0.13 0.00 0.03 0.00 0.00 46.19 41.61 1fvx s LEU 61 CO 0.08 -1.65 1.66 1.21 0.23 0.00 0.00 176.35 177.88 1fvx n GLU 62 N -2.70 2.54 0.07 1.70 0.00 -1.26 -4.76 120.64 116.22 1fvx n GLU 62 Ca 0.10 0.92 -0.10 0.00 0.00 0.00 0.00 57.16 58.07 1fvx n GLU 62 Cb 0.52 -2.73 -0.13 0.00 0.00 0.00 0.00 31.44 29.11 1fvx n GLU 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1fvx h GLU 63 N 6.30 0.09 0.00 5.31 5.08 -1.96 0.02 114.58 129.42 1fvx h GLU 63 Ca -0.44 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 57.64 1fvx h GLU 63 Cb 1.22 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1fvx h GLU 63 CO 0.92 1.05 -0.79 0.66 -1.00 0.00 0.00 179.01 179.85 1fvx h SER 64 N 0.03 0.00 0.00 1.42 4.64 -2.00 -3.40 113.55 114.23 1fvx h SER 64 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1fvx h SER 64 Cb 1.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 1fvx h SER 64 CO 0.15 0.52 -0.42 -0.62 -0.87 0.00 0.00 176.83 175.59 1fvx n GLU 65 N -3.11 0.00 0.08 4.77 1.02 -1.26 -4.81 120.64 117.32 1fvx n GLU 65 Ca -0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 1fvx n GLU 65 Cb 0.76 -0.35 -0.08 0.00 -0.02 0.00 0.00 31.44 31.75 1fvx n GLU 65 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1fvx h PHE 66 N 0.00 -0.19 -0.63 -0.32 3.57 -1.84 -2.91 116.94 114.62 1fvx h PHE 66 Ca 0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1fvx h PHE 66 Cb 0.42 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 1fvx h PHE 66 CO 0.00 0.14 0.37 1.49 -2.23 0.00 0.00 178.31 178.09 1fvx h GLU 67 N -0.54 0.70 -0.90 1.11 4.81 -1.22 -1.31 114.58 117.22 1fvx h GLU 67 Ca -0.02 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1fvx h GLU 67 Cb 0.42 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 1fvx h GLU 67 CO 0.03 0.46 0.59 -1.35 -0.73 0.00 0.00 179.01 178.02 1fvx h PRO 68 N 0.72 1.07 -0.29 0.92 0.11 -1.77 0.25 132.00 133.01 1fvx h PRO 68 Ca 0.26 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1fvx h PRO 68 Cb 0.08 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1fvx h PRO 68 CO -0.13 0.71 0.17 0.35 -0.21 0.00 0.00 178.00 178.88 1fvx h PHE 69 N 1.10 0.40 -0.67 0.65 3.57 -1.18 0.04 116.94 120.85 1fvx h PHE 69 Ca 0.37 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 1fvx h PHE 69 Cb 0.07 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1fvx h PHE 69 CO -0.00 0.32 0.29 0.82 -2.23 0.00 0.00 178.31 177.51 1fvx h ILE 70 N 0.36 1.23 -0.53 1.41 1.08 -0.52 -1.96 117.51 118.59 1fvx h ILE 70 Ca 0.10 -0.70 -0.06 0.00 -0.39 0.00 0.00 64.86 63.81 1fvx h ILE 70 Cb 0.05 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 1fvx h ILE 70 CO -0.02 0.28 0.09 -0.33 -0.69 0.00 0.00 178.15 177.48 1fvx h GLU 71 N 0.93 0.83 -0.56 2.37 5.08 -0.71 -0.96 114.58 121.56 1fvx h GLU 71 Ca 0.22 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 1fvx h GLU 71 Cb 0.17 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1fvx h GLU 71 CO -0.02 0.78 -0.10 1.49 -1.00 0.00 0.00 179.01 180.16 1fvx h GLU 72 N 0.79 1.05 0.00 2.33 4.81 -0.45 -3.05 114.58 120.06 1fvx h GLU 72 Ca 0.17 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1fvx h GLU 72 Cb 0.35 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1fvx h GLU 72 CO 0.01 1.08 -0.32 0.44 -0.73 0.00 0.00 179.01 179.49 1fvx n ILE 73 N -4.15 0.15 -0.31 2.32 -5.35 -0.79 -4.37 119.36 106.87 1fvx n ILE 73 Ca 0.02 -0.10 0.15 0.00 -0.27 0.00 0.00 62.75 62.55 1fvx n ILE 73 Cb 0.40 -0.16 0.33 0.00 -1.74 0.00 0.00 39.64 38.47 1fvx n ILE 73 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1fvx h SER 74 N 0.00 0.31 0.78 7.28 4.64 -1.06 -0.35 113.55 125.14 1fvx h SER 74 Ca 0.00 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1fvx h SER 74 Cb 0.58 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1fvx h SER 74 CO 0.00 -0.05 -0.06 0.35 -0.87 0.00 0.00 176.83 176.21 1fvx n THR 75 N -5.07 0.00 -1.04 2.95 -2.24 -1.26 -3.88 114.28 103.74 1fvx n THR 75 Ca 0.24 -0.01 0.09 0.00 -2.27 0.00 0.00 64.05 62.10 1fvx n THR 75 Cb 0.71 -0.39 0.20 0.00 -2.10 0.00 0.00 70.33 68.75 1fvx n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1fvx n LYS 76 N -1.39 2.05 -0.03 -0.78 5.02 -0.15 -4.69 118.16 118.19 1fvx n LYS 76 Ca 0.09 -2.71 0.01 0.00 -2.02 0.00 0.00 58.31 53.68 1fvx n LYS 76 Cb 0.31 -1.66 0.02 0.00 -0.02 0.00 0.00 35.03 33.67 1fvx n LYS 76 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1fvx n ILE 77 N -1.01 0.83 -1.70 -0.18 -5.35 -1.19 -5.01 119.36 105.75 1fvx n ILE 77 Ca 0.19 -0.87 -0.43 0.00 -0.27 0.00 0.00 62.75 61.36 1fvx n ILE 77 Cb 0.76 0.53 -0.02 0.00 -1.74 0.00 0.00 39.64 39.17 1fvx n ILE 77 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1fvx n SER 78 N -0.47 3.17 0.00 7.28 2.88 -1.25 -1.35 113.62 123.88 1fvx n SER 78 Ca 0.02 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 1fvx n SER 78 Cb 0.37 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 1fvx n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fvx n GLY 79 N 2.08 2.65 3.79 0.46 0.00 0.81 -4.93 105.19 110.05 1fvx n GLY 79 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1fvx n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fvx s LYS 80 N -0.08 4.13 0.03 1.61 3.01 -0.45 -4.70 119.74 123.29 1fvx s LYS 80 Ca 0.00 1.41 -0.21 0.00 -1.01 0.00 0.00 55.97 56.16 1fvx s LYS 80 Cb 0.00 -2.41 -0.06 0.00 -1.01 0.00 0.00 37.83 34.35 1fvx s LYS 80 CO 0.00 -0.16 0.62 0.15 0.51 0.00 0.00 175.35 176.48 1fvx s LYS 81 N -2.72 4.33 0.03 1.68 1.02 -1.25 -0.40 119.74 122.44 1fvx s LYS 81 Ca 0.60 0.81 0.01 0.00 0.02 0.00 0.00 55.97 57.41 1fvx s LYS 81 Cb -0.19 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1fvx s LYS 81 CO 0.23 0.44 -0.05 0.14 -0.92 0.00 0.00 175.35 175.19 1fvx s VAL 82 N -0.47 0.33 -0.05 3.17 -7.23 -0.14 -0.82 120.40 115.19 1fvx s VAL 82 Ca 0.32 -0.93 0.03 0.00 -1.81 0.00 0.00 61.98 59.59 1fvx s VAL 82 Cb -0.19 -0.42 0.01 0.00 0.56 0.00 0.00 36.38 36.33 1fvx s VAL 82 CO 0.19 -0.40 -0.12 0.00 -0.31 0.00 0.00 175.10 174.46 1fvx s ALA 83 N -1.31 1.18 0.07 1.32 0.00 0.30 -1.42 121.76 121.90 1fvx s ALA 83 Ca -0.12 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.50 1fvx s ALA 83 Cb -0.09 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1fvx s ALA 83 CO -0.00 0.15 -0.21 -0.51 0.00 0.00 0.00 175.76 175.19 1fvx s LEU 84 N 0.42 2.52 0.20 0.00 1.43 -1.26 -1.07 118.68 120.92 1fvx s LEU 84 Ca -0.09 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.31 1fvx s LEU 84 Cb -0.13 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.67 1fvx s LEU 84 CO 0.02 0.23 0.51 0.72 0.23 0.00 0.00 176.35 178.06 1fvx s PHE 85 N -0.98 -0.05 0.00 0.29 -0.71 -0.84 -1.09 117.98 114.60 1fvx s PHE 85 Ca 0.15 -0.30 0.00 0.00 -1.04 0.00 0.00 56.93 55.74 1fvx s PHE 85 Cb -0.10 0.36 0.00 0.00 -1.21 0.00 0.00 43.02 42.06 1fvx s PHE 85 CO 0.06 -0.92 0.00 0.41 -1.34 0.00 0.00 175.22 173.43 1fvx n GLY 86 N -0.34 1.69 3.88 1.99 0.00 -0.58 -2.24 105.19 109.59 1fvx n GLY 86 Ca -0.09 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 1fvx n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fvx s SER 87 N 0.00 6.07 0.22 1.61 0.15 -1.26 -2.38 113.70 118.12 1fvx s SER 87 Ca 0.00 0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.71 1fvx s SER 87 Cb 0.00 -1.77 -0.02 0.00 -1.71 0.00 0.00 66.02 62.51 1fvx s SER 87 CO 0.00 0.11 0.29 -0.72 1.20 0.00 0.00 173.24 174.12 1fvx s TYR 88 N -1.61 0.82 0.00 3.44 1.13 -0.85 -1.80 117.35 118.49 1fvx s TYR 88 Ca 0.33 -1.10 0.00 0.00 -1.41 0.00 0.00 57.07 54.89 1fvx s TYR 88 Cb -0.12 -0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.51 1fvx s TYR 88 CO 0.26 -0.80 0.00 0.41 -2.51 0.00 0.00 175.55 172.91 1fvx n GLY 89 N -0.33 0.20 0.03 5.49 0.00 -1.26 -0.65 105.19 108.68 1fvx n GLY 89 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1fvx n GLY 89 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1fvx n TRP 90 N -0.32 0.00 -1.12 1.61 2.14 -1.26 -4.81 117.44 113.68 1fvx n TRP 90 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1fvx n TRP 90 Cb 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 31.31 30.32 1fvx n TRP 90 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1fvx n GLY 91 N 1.49 -0.65 0.10 -1.67 0.00 -1.26 -5.02 105.19 98.18 1fvx n GLY 91 Ca 0.06 -1.73 0.09 0.00 0.00 0.00 0.00 46.02 44.44 1fvx n GLY 91 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fvx n ASP 92 N -2.52 2.39 0.00 1.61 5.68 -1.26 -4.96 116.55 117.49 1fvx n ASP 92 Ca 0.00 -2.97 0.00 0.00 -0.50 0.00 0.00 54.79 51.32 1fvx n ASP 92 Cb 0.00 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.59 1fvx n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fvx n GLY 93 N -1.29 0.94 0.27 6.12 0.00 -1.26 -4.99 105.19 104.98 1fvx n GLY 93 Ca 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1fvx n GLY 93 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1fvx h LYS 94 N 3.17 0.61 -0.53 1.61 1.63 -1.93 -1.15 116.57 119.97 1fvx h LYS 94 Ca 0.00 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.80 1fvx h LYS 94 Cb 0.00 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.46 1fvx h LYS 94 CO 0.00 0.40 0.35 0.11 -3.45 0.00 0.00 179.45 176.87 1fvx h TRP 95 N 0.63 0.56 0.04 1.91 0.09 -1.94 -1.47 115.95 115.76 1fvx h TRP 95 Ca 0.36 0.01 -0.23 0.00 0.09 0.00 0.00 58.89 59.12 1fvx h TRP 95 Cb 0.38 -0.19 -0.00 0.00 0.08 0.00 0.00 29.16 29.43 1fvx h TRP 95 CO -0.10 0.32 -1.02 1.98 0.09 0.00 0.00 178.44 179.71 1fvx h MET 96 N 0.57 0.32 -0.76 0.12 4.05 -1.57 -0.97 114.93 116.68 1fvx h MET 96 Ca 0.22 -0.40 -0.03 0.00 -0.28 0.00 0.00 59.70 59.22 1fvx h MET 96 Cb 0.15 0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.04 1fvx h MET 96 CO -0.06 1.11 0.37 0.00 0.23 0.00 0.00 176.91 178.56 1fvx h ARG 97 N 0.15 1.10 -0.41 0.39 3.08 -0.68 0.11 114.38 118.13 1fvx h ARG 97 Ca -0.09 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 59.68 1fvx h ARG 97 Cb 1.68 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.52 1fvx h ARG 97 CO 0.17 0.86 -0.21 -0.44 -1.07 0.00 0.00 179.97 179.27 1fvx h ASP 98 N 1.08 0.89 -0.64 7.04 3.32 -1.22 -1.40 116.42 125.49 1fvx h ASP 98 Ca 0.26 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.91 1fvx h ASP 98 Cb 0.12 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1fvx h ASP 98 CO -0.03 1.10 0.42 0.15 -1.72 0.00 0.00 179.24 179.16 1fvx h PHE 99 N 0.68 0.81 -0.29 4.55 3.57 -0.78 0.77 116.94 126.25 1fvx h PHE 99 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1fvx h PHE 99 Cb 0.77 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1fvx h PHE 99 CO 0.06 0.51 0.09 1.49 -2.23 0.00 0.00 178.31 178.23 1fvx h GLU 100 N 0.87 0.45 -0.71 1.11 4.81 -0.83 -1.47 114.58 118.81 1fvx h GLU 100 Ca 0.23 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1fvx h GLU 100 Cb -0.10 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 1fvx h GLU 100 CO -0.05 0.50 0.46 1.49 -0.73 0.00 0.00 179.01 180.68 1fvx h GLU 101 N 0.31 0.89 -0.03 1.92 4.81 -0.88 -1.62 114.58 119.99 1fvx h GLU 101 Ca 0.09 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1fvx h GLU 101 Cb 0.24 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1fvx h GLU 101 CO -0.00 0.59 0.02 -0.09 -0.73 0.00 0.00 179.01 178.79 1fvx h ARG 102 N 0.92 0.03 -0.75 1.92 2.43 -0.55 0.28 114.38 118.66 1fvx h ARG 102 Ca 0.28 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1fvx h ARG 102 Cb -0.04 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1fvx h ARG 102 CO -0.09 0.02 0.29 0.52 -1.51 0.00 0.00 179.97 179.21 1fvx h MET 103 N 0.03 1.11 -0.67 0.20 2.86 -1.10 -1.37 114.93 115.98 1fvx h MET 103 Ca 0.01 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 1fvx h MET 103 Cb -0.00 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 1fvx h MET 103 CO -0.01 0.90 0.23 -0.91 1.06 0.00 0.00 176.91 178.19 1fvx h ASN 104 N 1.08 0.94 0.15 1.22 2.35 -1.01 -1.96 115.58 118.36 1fvx h ASN 104 Ca 0.25 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1fvx h ASN 104 Cb 0.21 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1fvx h ASN 104 CO -0.02 0.86 -0.11 1.23 -1.65 0.00 0.00 177.43 177.74 1fvx h GLY 105 N 1.06 0.00 1.00 2.83 0.00 0.12 -1.29 103.07 106.79 1fvx h GLY 105 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1fvx h GLY 105 CO -0.01 0.00 -0.05 -1.72 0.00 0.00 0.00 176.54 174.76 1fvx n TYR 106 N -4.19 0.00 -0.01 5.60 4.01 -0.76 -4.90 117.16 116.91 1fvx n TYR 106 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1fvx n TYR 106 Cb 0.19 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 1fvx n TYR 106 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fvx n GLY 107 N 1.21 0.86 3.86 2.72 0.00 -0.49 -3.93 105.19 109.43 1fvx n GLY 107 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1fvx n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fvx s VAL 109 N -2.82 4.01 -0.62 0.00 1.01 0.46 -4.36 120.40 118.08 1fvx s VAL 109 Ca 0.56 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 61.34 1fvx s VAL 109 Cb -0.10 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.11 1fvx s VAL 109 CO 0.40 -0.10 1.29 -0.69 0.00 0.00 0.00 175.10 176.00 1fvx s VAL 110 N 1.47 3.86 0.32 2.92 1.01 -1.26 -0.96 120.40 127.75 1fvx s VAL 110 Ca 0.00 0.70 0.05 0.00 0.00 0.00 0.00 61.98 62.73 1fvx s VAL 110 Cb -0.19 -4.68 0.11 0.00 0.00 0.00 0.00 36.38 31.62 1fvx s VAL 110 CO 0.03 -1.42 1.81 -0.37 0.00 0.00 0.00 175.10 175.15 1fvx h VAL 111 N 6.20 1.23 -4.01 2.92 -1.51 -1.62 -3.46 116.25 116.00 1fvx h VAL 111 Ca -0.26 -1.05 -0.27 0.00 -1.23 0.00 0.00 66.70 63.89 1fvx h VAL 111 Cb 1.07 1.23 -0.15 0.00 -2.13 0.00 0.00 31.29 31.31 1fvx h VAL 111 CO 1.21 0.33 -0.64 -1.61 -1.23 0.00 0.00 177.57 175.63 1fvx s GLU 112 N -4.65 1.16 0.24 5.19 0.41 -1.26 -5.11 118.70 114.67 1fvx s GLU 112 Ca -0.07 -1.58 -0.31 0.00 -0.41 0.00 0.00 54.97 52.61 1fvx s GLU 112 Cb 0.15 -0.09 -0.11 0.00 -1.78 0.00 0.00 34.13 32.30 1fvx s GLU 112 CO 0.77 -0.23 1.55 0.99 -0.49 0.00 0.00 175.26 177.85 1fvx s THR 113 N -3.83 2.37 0.43 3.63 2.01 -1.26 -4.76 115.64 114.23 1fvx s THR 113 Ca 0.29 0.30 -0.26 0.00 0.31 0.00 0.00 61.69 62.33 1fvx s THR 113 Cb 0.07 -3.19 -0.09 0.00 0.01 0.00 0.00 72.50 69.30 1fvx s THR 113 CO 0.07 0.04 1.44 -2.65 -0.69 0.00 0.00 174.62 172.83 1fvx n PRO 114 N 2.78 2.35 -3.31 4.92 -0.02 -1.26 -4.86 135.00 135.60 1fvx n PRO 114 Ca 0.10 0.83 -0.40 0.00 -2.02 0.00 0.00 63.50 62.01 1fvx n PRO 114 Cb 0.38 -2.63 -0.08 0.00 -0.02 0.00 0.00 33.50 31.15 1fvx n PRO 114 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1fvx s LEU 115 N -2.48 4.17 -0.03 2.45 2.96 -0.25 -4.96 118.68 120.54 1fvx s LEU 115 Ca 0.59 0.20 0.06 0.00 -0.22 0.00 0.00 54.13 54.76 1fvx s LEU 115 Cb -0.46 -2.52 -0.01 0.00 0.50 0.00 0.00 46.19 43.70 1fvx s LEU 115 CO 0.59 -0.31 -0.21 0.27 -1.32 0.00 0.00 176.35 175.37 1fvx s ILE 116 N 2.21 1.69 -0.01 6.68 -4.36 -1.26 -1.53 121.20 124.62 1fvx s ILE 116 Ca 0.17 -0.89 0.02 0.00 -0.26 0.00 0.00 60.65 59.70 1fvx s ILE 116 Cb -0.16 -1.42 -0.00 0.00 1.25 0.00 0.00 42.46 42.13 1fvx s ILE 116 CO 0.11 0.48 -0.07 -0.69 0.24 0.00 0.00 174.94 175.00 1fvx s VAL 117 N -0.28 0.60 -0.12 8.37 1.01 -1.00 -5.01 120.40 123.99 1fvx s VAL 117 Ca 0.02 -0.31 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 1fvx s VAL 117 Cb -0.10 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1fvx s VAL 117 CO 0.01 0.18 0.96 -1.58 0.00 0.00 0.00 175.10 174.67 1fvx s GLN 118 N -0.04 4.40 3.84 2.72 0.74 -1.26 -2.00 119.66 128.06 1fvx s GLN 118 Ca 0.01 1.30 0.00 0.00 0.05 0.00 0.00 55.36 56.72 1fvx s GLN 118 Cb -0.05 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.52 1fvx s GLN 118 CO -0.00 -0.30 0.00 0.09 -0.55 0.00 0.00 175.29 174.53 1fvx n ASN 119 N 4.99 0.00 -4.77 6.67 3.02 0.18 -4.66 115.26 120.69 1fvx n ASN 119 Ca 0.07 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.23 1fvx n ASN 119 Cb 0.49 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.63 1fvx n ASN 119 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1fvx s GLU 120 N 0.00 4.24 0.08 3.52 2.12 -1.26 -4.73 118.70 122.66 1fvx s GLU 120 Ca 0.00 1.94 -0.25 0.00 0.36 0.00 0.00 54.97 57.02 1fvx s GLU 120 Cb 0.00 -2.87 -0.10 0.00 0.26 0.00 0.00 34.13 31.42 1fvx s GLU 120 CO 0.00 -0.19 1.40 -1.35 -0.54 0.00 0.00 175.26 174.58 1fvx h PRO 121 N 3.04 -0.48 0.00 4.30 0.11 -1.83 -3.42 132.00 133.72 1fvx h PRO 121 Ca -0.48 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1fvx h PRO 121 Cb 1.23 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1fvx h PRO 121 CO 0.64 -0.32 0.00 -0.25 -0.21 0.00 0.00 178.00 177.86 1fvx n ASP 122 N -4.62 0.00 0.22 -2.05 8.00 -1.26 0.13 116.55 116.97 1fvx n ASP 122 Ca -0.06 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.53 1fvx n ASP 122 Cb 0.29 0.00 0.47 0.00 -0.02 0.00 0.00 41.12 41.86 1fvx n ASP 122 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1fvx h GLU 123 N 0.00 0.00 -0.64 -1.24 4.11 -1.99 -2.90 114.58 111.92 1fvx h GLU 123 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1fvx h GLU 123 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1fvx h GLU 123 CO 0.00 0.25 0.00 0.00 0.07 0.00 0.00 179.01 179.33 1fvx n ALA 124 N -2.27 3.32 -0.17 1.06 0.00 0.12 -4.61 120.51 117.95 1fvx n ALA 124 Ca -0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 53.44 51.90 1fvx n ALA 124 Cb 0.41 -1.06 0.08 0.00 0.00 0.00 0.00 19.45 18.88 1fvx n ALA 124 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1fvx h GLU 125 N 3.61 0.29 -0.44 0.00 5.08 -1.65 -1.40 114.58 120.07 1fvx h GLU 125 Ca 0.00 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1fvx h GLU 125 Cb 1.52 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 1fvx h GLU 125 CO 0.30 0.19 0.02 0.37 -1.00 0.00 0.00 179.01 178.90 1fvx h GLN 126 N 0.30 0.69 -0.93 2.33 5.75 -1.86 -2.09 115.11 119.31 1fvx h GLN 126 Ca 0.27 -0.16 0.04 0.00 -0.15 0.00 0.00 58.65 58.64 1fvx h GLN 126 Cb 0.34 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.74 1fvx h GLN 126 CO -0.31 0.69 0.60 -0.44 -2.65 0.00 0.00 178.83 176.72 1fvx h ASP 127 N 0.66 0.99 -0.15 -0.69 3.32 -1.60 0.85 116.42 119.79 1fvx h ASP 127 Ca 0.14 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1fvx h ASP 127 Cb 0.38 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1fvx h ASP 127 CO 0.01 0.67 0.05 0.00 -1.72 0.00 0.00 179.24 178.25 1fvx h ILE 129 N 0.07 1.04 -0.50 0.00 2.04 -0.85 -2.11 117.51 117.19 1fvx h ILE 129 Ca 0.05 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 1fvx h ILE 129 Cb 0.22 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1fvx h ILE 129 CO -0.00 0.12 0.16 -0.33 0.00 0.00 0.00 178.15 178.10 1fvx h GLU 130 N 0.64 0.74 -0.60 2.37 4.39 -0.75 -0.90 114.58 120.47 1fvx h GLU 130 Ca 0.23 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1fvx h GLU 130 Cb 0.05 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1fvx h GLU 130 CO -0.11 0.64 0.26 0.35 -1.16 0.00 0.00 179.01 178.99 1fvx h PHE 131 N 0.73 0.89 -0.80 4.33 3.57 -0.81 -0.09 116.94 124.77 1fvx h PHE 131 Ca 0.17 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1fvx h PHE 131 Cb 0.21 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1fvx h PHE 131 CO 0.01 0.70 0.49 0.78 -2.23 0.00 0.00 178.31 178.06 1fvx h GLY 132 N 0.83 1.16 1.41 2.40 0.00 -0.69 -2.17 103.07 106.01 1fvx h GLY 132 Ca 0.20 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1fvx h GLY 132 CO -0.02 0.47 0.08 0.50 0.00 0.00 0.00 176.54 177.57 1fvx h LYS 133 N 1.10 0.74 -0.49 4.80 1.57 -0.43 -1.77 116.57 122.09 1fvx h LYS 133 Ca 0.29 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1fvx h LYS 133 Cb -0.05 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1fvx h LYS 133 CO -0.05 0.69 0.13 0.87 -0.57 0.00 0.00 179.45 180.52 1fvx h LYS 134 N 0.71 0.78 -0.71 3.15 1.57 -0.44 -2.40 116.57 119.23 1fvx h LYS 134 Ca 0.15 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1fvx h LYS 134 Cb 0.32 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1fvx h LYS 134 CO 0.00 0.75 0.23 0.82 -0.57 0.00 0.00 179.45 180.68 1fvx h ILE 135 N 0.67 1.25 0.00 1.86 2.04 -1.11 -1.68 117.51 120.54 1fvx h ILE 135 Ca 0.16 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1fvx h ILE 135 Cb 0.32 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1fvx h ILE 135 CO 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 178.15 178.48 1fvx h ALA 136 N 1.20 1.01 -0.39 1.87 0.00 -1.13 -2.62 119.26 119.20 1fvx h ALA 136 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1fvx h ALA 136 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1fvx h ALA 136 CO -0.01 0.02 0.00 -1.71 0.00 0.00 0.00 179.25 177.55 1fvx n ASN 137 N -3.13 2.34 -0.60 0.00 5.15 -0.64 -5.09 115.26 113.31 1fvx n ASN 137 Ca -0.00 -2.07 0.14 0.00 -0.60 0.00 0.00 54.58 52.04 1fvx n ASN 137 Cb 0.25 -0.31 0.42 0.00 -0.53 0.00 0.00 39.78 39.61 1fvx n ASN 137 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28