#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fvx s LYS 2 N 0.00 0.15 -0.17 0.03 1.02 -1.26 -1.66 119.74 117.85 2fvx s LYS 2 Ca 0.00 -0.07 0.01 0.00 0.02 0.00 0.00 55.97 55.93 2fvx s LYS 2 Cb 0.00 -0.15 0.02 0.00 -0.52 0.00 0.00 37.83 37.18 2fvx s LYS 2 CO 0.00 0.04 -0.20 0.42 -0.92 0.00 0.00 175.35 174.69 2fvx s ILE 3 N -0.05 2.03 -0.11 2.17 1.01 -0.06 -3.29 121.20 122.89 2fvx s ILE 3 Ca 0.01 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.74 2fvx s ILE 3 Cb -0.01 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 2fvx s ILE 3 CO -0.00 0.54 -0.14 -0.69 0.00 0.00 0.00 174.94 174.65 2fvx s VAL 4 N 1.21 3.03 0.16 2.92 1.01 -0.27 0.44 120.40 128.90 2fvx s VAL 4 Ca 0.03 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 2fvx s VAL 4 Cb -0.13 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 2fvx s VAL 4 CO -0.11 0.54 0.32 -0.72 0.00 0.00 0.00 175.10 175.14 2fvx s TYR 5 N 0.05 0.28 -0.03 5.22 1.13 -0.79 -1.30 117.35 121.91 2fvx s TYR 5 Ca -0.05 -0.64 0.04 0.00 -1.41 0.00 0.00 57.07 55.01 2fvx s TYR 5 Cb -0.14 0.02 -0.01 0.00 -1.10 0.00 0.00 41.96 40.73 2fvx s TYR 5 CO 0.04 -0.74 -0.16 -0.46 -2.51 0.00 0.00 175.55 171.73 2fvx s TRP 6 N -3.94 1.51 -0.08 -3.49 -0.00 -0.54 -0.11 118.94 112.28 2fvx s TRP 6 Ca 0.14 -0.37 -0.04 0.00 -0.00 0.00 0.00 56.10 55.84 2fvx s TRP 6 Cb 0.03 -1.00 0.04 0.00 -0.00 0.00 0.00 33.47 32.54 2fvx s TRP 6 CO -0.02 -0.10 0.19 0.45 -0.00 0.00 0.00 176.95 177.47 2fvx s SER 7 N -0.11 -0.18 -0.05 5.86 0.15 -1.26 -3.92 113.70 114.19 2fvx s SER 7 Ca 0.00 0.40 0.02 0.00 0.70 0.00 0.00 55.95 57.07 2fvx s SER 7 Cb -0.09 0.28 -0.25 0.00 -1.71 0.00 0.00 66.02 64.25 2fvx s SER 7 CO 0.01 -0.16 0.64 1.23 1.20 0.00 0.00 173.24 176.17 2fvx h GLY 8 N 7.21 0.18 0.00 9.45 0.00 -2.01 -3.41 103.07 114.50 2fvx h GLY 8 Ca -0.42 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.44 2fvx h GLY 8 CO 0.40 0.41 0.00 -1.30 0.00 0.00 0.00 176.54 176.06 2fvx n THR 9 N -3.32 0.00 0.00 4.70 -2.24 -1.26 -5.02 114.28 107.14 2fvx n THR 9 Ca -0.21 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2fvx n THR 9 Cb 1.05 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 70.37 2fvx n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fvx n GLY 10 N 0.38 0.76 0.06 3.38 0.00 -1.26 -5.01 105.19 103.49 2fvx n GLY 10 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2fvx n GLY 10 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2fvx h ASN 11 N 0.00 0.02 0.26 1.61 2.35 -1.94 -1.45 115.58 116.44 2fvx h ASN 11 Ca 0.00 -0.43 -0.10 0.00 -0.55 0.00 0.00 56.30 55.22 2fvx h ASN 11 Cb 0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2fvx h ASN 11 CO 0.00 0.45 -0.40 0.74 -1.65 0.00 0.00 177.43 176.58 2fvx h THR 12 N -0.41 1.30 -0.51 2.81 2.02 -1.90 -2.09 112.91 114.13 2fvx h THR 12 Ca 0.00 -1.46 -0.02 0.00 0.77 0.00 0.00 66.41 65.70 2fvx h THR 12 Cb 0.44 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 2fvx h THR 12 CO 0.00 0.43 0.24 -0.08 0.37 0.00 0.00 175.52 176.49 2fvx h GLU 13 N 0.16 0.74 -0.71 6.66 4.81 -1.83 -0.44 114.58 123.96 2fvx h GLU 13 Ca 0.02 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 2fvx h GLU 13 Cb 0.77 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 2fvx h GLU 13 CO 0.06 0.62 0.23 -0.22 -0.73 0.00 0.00 179.01 178.96 2fvx h LYS 14 N 0.68 1.10 -0.71 1.92 1.63 -0.97 -1.63 116.57 118.59 2fvx h LYS 14 Ca 0.17 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2fvx h LYS 14 Cb 0.13 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 2fvx h LYS 14 CO -0.02 0.94 0.46 0.52 -3.45 0.00 0.00 179.45 177.90 2fvx h MET 15 N 1.05 0.94 -0.37 1.90 2.86 -0.94 -2.05 114.93 118.32 2fvx h MET 15 Ca 0.23 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2fvx h MET 15 Cb 0.30 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 2fvx h MET 15 CO -0.01 0.63 0.15 0.00 1.06 0.00 0.00 176.91 178.74 2fvx h ALA 16 N 1.25 0.44 -0.87 6.32 0.00 -0.49 -0.22 119.26 125.69 2fvx h ALA 16 Ca 0.26 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2fvx h ALA 16 Cb -0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2fvx h ALA 16 CO -0.05 -0.23 0.54 0.93 0.00 0.00 0.00 179.25 180.43 2fvx h GLU 17 N 0.32 1.18 -0.40 0.00 5.08 -0.98 -0.73 114.58 119.05 2fvx h GLU 17 Ca 0.16 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 2fvx h GLU 17 Cb 0.11 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2fvx h GLU 17 CO -0.14 0.81 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.34 2fvx h LEU 18 N 1.19 0.92 -0.75 1.33 4.07 -0.99 -0.30 115.31 120.78 2fvx h LEU 18 Ca 0.31 -0.43 -0.04 0.00 0.08 0.00 0.00 57.88 57.80 2fvx h LEU 18 Cb -0.07 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.38 2fvx h LEU 18 CO -0.06 1.15 0.31 0.40 -1.08 0.00 0.00 178.44 179.16 2fvx h ILE 19 N 0.69 1.25 -0.40 1.22 2.04 -0.85 -1.86 117.51 119.61 2fvx h ILE 19 Ca 0.08 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 2fvx h ILE 19 Cb 0.84 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2fvx h ILE 19 CO 0.07 0.32 0.23 0.00 0.00 0.00 0.00 178.15 178.77 2fvx h ALA 20 N 1.16 0.51 -0.91 1.87 0.00 -0.90 -2.02 119.26 118.97 2fvx h ALA 20 Ca 0.25 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.18 2fvx h ALA 20 Cb 0.20 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 2fvx h ALA 20 CO -0.02 0.02 0.55 -0.22 0.00 0.00 0.00 179.25 179.59 2fvx h LYS 21 N 0.52 0.91 -0.72 0.00 3.64 -0.74 0.56 116.57 120.74 2fvx h LYS 21 Ca 0.14 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2fvx h LYS 21 Cb 0.04 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 2fvx h LYS 21 CO -0.02 0.60 0.30 0.78 -2.27 0.00 0.00 179.45 178.83 2fvx h GLY 22 N 0.94 1.14 0.92 5.01 0.00 -0.71 0.58 103.07 110.95 2fvx h GLY 22 Ca 0.43 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 2fvx h GLY 22 CO -0.23 0.58 -0.03 -2.22 0.00 0.00 0.00 176.54 174.64 2fvx h ILE 23 N 1.02 1.27 -0.63 2.60 2.04 -0.58 -2.40 117.51 120.83 2fvx h ILE 23 Ca 0.24 -1.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 2fvx h ILE 23 Cb 0.20 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 2fvx h ILE 23 CO -0.02 0.34 0.22 0.40 0.00 0.00 0.00 178.15 179.09 2fvx h ILE 24 N 0.44 1.24 0.00 -0.67 2.04 -0.69 -2.17 117.51 117.71 2fvx h ILE 24 Ca 0.10 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 2fvx h ILE 24 Cb 0.50 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2fvx h ILE 24 CO 0.02 0.31 -0.09 -0.33 0.00 0.00 0.00 178.15 178.07 2fvx h GLU 25 N 0.91 0.00 0.00 2.37 5.08 -0.78 0.20 114.58 122.36 2fvx h GLU 25 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2fvx h GLU 25 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2fvx h GLU 25 CO -0.01 0.09 0.00 0.43 -1.00 0.00 0.00 179.01 178.52 2fvx n SER 26 N -4.05 0.00 0.00 1.42 7.64 -0.84 -4.91 113.62 112.89 2fvx n SER 26 Ca -0.03 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.38 2fvx n SER 26 Cb 0.17 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2fvx n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fvx n GLY 27 N 0.93 0.40 3.93 0.23 0.00 0.70 -5.09 105.19 106.28 2fvx n GLY 27 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 2fvx n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fvx s LYS 28 N -1.00 2.99 0.25 1.61 1.02 -1.10 -5.01 119.74 118.50 2fvx s LYS 28 Ca 0.00 -1.10 0.04 0.00 0.02 0.00 0.00 55.97 54.93 2fvx s LYS 28 Cb 0.00 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.59 2fvx s LYS 28 CO 0.00 0.12 0.39 0.34 -0.92 0.00 0.00 175.35 175.28 2fvx s ASP 29 N -4.08 6.32 -0.18 2.83 2.15 -1.26 -3.60 116.67 118.85 2fvx s ASP 29 Ca 0.42 0.16 -0.28 0.00 0.43 0.00 0.00 52.55 53.28 2fvx s ASP 29 Cb -0.08 -1.90 0.09 0.00 -0.30 0.00 0.00 42.92 40.73 2fvx s ASP 29 CO 0.29 -0.10 0.80 0.54 -0.17 0.00 0.00 175.17 176.53 2fvx s VAL 30 N -2.02 0.00 -0.07 1.11 0.11 -1.26 -2.34 120.40 115.92 2fvx s VAL 30 Ca 0.35 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.46 2fvx s VAL 30 Cb -0.09 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 2fvx s VAL 30 CO 0.30 0.00 -0.23 0.20 -3.33 0.00 0.00 175.10 172.04 2fvx s ASN 31 N -0.41 3.22 -0.21 3.54 -0.87 -0.67 -4.94 114.94 114.61 2fvx s ASN 31 Ca -0.03 -0.48 -0.09 0.00 -1.57 0.00 0.00 52.86 50.69 2fvx s ASN 31 Cb -0.03 -0.94 -0.04 0.00 -0.02 0.00 0.00 41.25 40.22 2fvx s ASN 31 CO 0.03 0.24 0.10 0.42 -2.57 0.00 0.00 177.10 175.32 2fvx s THR 32 N -0.13 5.02 -0.08 1.60 -4.23 -1.26 -0.89 115.64 115.67 2fvx s THR 32 Ca -0.04 0.05 0.03 0.00 -1.18 0.00 0.00 61.69 60.55 2fvx s THR 32 Cb -0.14 -3.30 0.01 0.00 1.34 0.00 0.00 72.50 70.41 2fvx s THR 32 CO 0.04 0.42 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.75 2fvx s ILE 33 N 0.66 1.41 0.33 2.99 1.01 0.17 -4.95 121.20 122.82 2fvx s ILE 33 Ca 0.05 -0.63 -0.28 0.00 0.00 0.00 0.00 60.65 59.79 2fvx s ILE 33 Cb -0.13 -1.27 -0.09 0.00 0.01 0.00 0.00 42.46 40.98 2fvx s ILE 33 CO 0.01 0.42 1.16 0.21 0.00 0.00 0.00 174.94 176.74 2fvx s ASN 34 N 0.65 6.96 0.53 3.58 2.47 -1.26 -1.88 114.94 125.98 2fvx s ASN 34 Ca -0.14 2.37 0.30 0.00 0.42 0.00 0.00 52.86 55.80 2fvx s ASN 34 Cb -0.16 -2.63 1.45 0.00 -1.45 0.00 0.00 41.25 38.46 2fvx s ASN 34 CO 0.04 -0.37 1.90 1.62 -3.72 0.00 0.00 177.10 176.57 2fvx h VAL 35 N 2.85 0.58 0.00 -5.21 3.04 -0.87 -0.82 116.25 115.82 2fvx h VAL 35 Ca -0.48 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2fvx h VAL 35 Cb 1.22 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2fvx h VAL 35 CO 0.65 0.01 0.00 0.77 -1.01 0.00 0.00 177.57 177.99 2fvx h SER 36 N 0.03 0.00 -0.30 3.17 4.64 -1.91 -3.09 113.55 116.09 2fvx h SER 36 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2fvx h SER 36 Cb 1.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 2fvx h SER 36 CO -0.02 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.41 2fvx n ASP 37 N -2.76 2.79 -4.78 4.97 8.00 -0.32 -5.03 116.55 119.42 2fvx n ASP 37 Ca 0.02 -1.91 -0.36 0.00 0.71 0.00 0.00 54.79 53.24 2fvx n ASP 37 Cb 0.31 -0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.16 2fvx n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2fvx s VAL 38 N -0.99 3.82 -0.33 2.53 0.11 -1.17 -4.95 120.40 119.41 2fvx s VAL 38 Ca 0.22 1.41 -0.05 0.00 -2.93 0.00 0.00 61.98 60.63 2fvx s VAL 38 Cb 0.12 -3.73 0.05 0.00 -1.53 0.00 0.00 36.38 31.29 2fvx s VAL 38 CO 0.16 0.02 0.08 0.21 -3.33 0.00 0.00 175.10 172.24 2fvx s ASN 39 N -1.59 5.19 0.26 3.54 3.84 -1.26 -5.00 114.94 119.92 2fvx s ASN 39 Ca 0.56 -1.25 -0.03 0.00 0.21 0.00 0.00 52.86 52.36 2fvx s ASN 39 Cb -0.21 -1.82 0.40 0.00 -0.55 0.00 0.00 41.25 39.07 2fvx s ASN 39 CO 0.27 -0.33 1.87 0.40 -2.79 0.00 0.00 177.10 176.52 2fvx h ILE 40 N 6.28 1.07 -0.70 -5.21 2.04 -1.99 -1.86 117.51 117.13 2fvx h ILE 40 Ca -0.22 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 2fvx h ILE 40 Cb 1.07 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2fvx h ILE 40 CO 0.59 0.20 0.31 0.44 0.00 0.00 0.00 178.15 179.70 2fvx h ASP 41 N 1.12 0.92 -0.12 1.72 3.32 -2.00 -1.32 116.42 120.06 2fvx h ASP 41 Ca 0.42 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.27 2fvx h ASP 41 Cb 0.19 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2fvx h ASP 41 CO -0.18 0.80 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.55 2fvx h GLU 42 N 1.00 0.40 -0.94 3.56 5.08 -1.93 -3.19 114.58 118.57 2fvx h GLU 42 Ca 0.24 -0.26 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 2fvx h GLU 42 Cb 0.14 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2fvx h GLU 42 CO -0.03 0.86 0.60 1.25 -1.00 0.00 0.00 179.01 180.70 2fvx h LEU 43 N -0.02 0.85 -0.16 1.33 5.85 -0.97 -1.24 115.31 120.97 2fvx h LEU 43 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2fvx h LEU 43 Cb 0.85 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2fvx h LEU 43 CO 0.06 0.48 0.00 0.18 -0.34 0.00 0.00 178.44 178.82 2fvx n LEU 44 N -4.56 0.11 0.08 2.25 4.77 -0.53 -1.97 117.00 117.15 2fvx n LEU 44 Ca 0.17 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.81 2fvx n LEU 44 Cb 0.33 -0.53 0.36 0.00 -2.33 0.00 0.00 43.42 41.25 2fvx n LEU 44 CO 0.30 -0.39 0.74 0.59 -1.33 0.00 0.00 177.39 177.30 2fvx n ASN 45 N -1.63 0.71 -4.78 -1.43 3.02 -0.47 -4.89 115.26 105.81 2fvx n ASN 45 Ca 0.02 0.43 -0.37 0.00 -0.03 0.00 0.00 54.58 54.63 2fvx n ASN 45 Cb 0.12 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 2fvx n ASN 45 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2fvx s GLU 46 N -3.11 3.96 0.20 3.52 0.41 -0.83 -4.96 118.70 117.89 2fvx s GLU 46 Ca 0.10 1.67 0.10 0.00 -0.41 0.00 0.00 54.97 56.43 2fvx s GLU 46 Cb 0.13 -2.49 -0.02 0.00 -1.78 0.00 0.00 34.13 29.98 2fvx s GLU 46 CO 0.63 -0.36 1.39 0.22 -0.49 0.00 0.00 175.26 176.65 2fvx h ASP 47 N 2.29 0.00 -3.36 -0.19 3.58 -1.90 -3.44 116.42 113.41 2fvx h ASP 47 Ca -0.49 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.48 2fvx h ASP 47 Cb 1.23 0.00 -0.35 0.00 1.72 0.00 0.00 39.33 41.93 2fvx h ASP 47 CO 0.61 0.79 -0.79 -0.63 -2.88 0.00 0.00 179.24 176.34 2fvx s ILE 48 N -2.93 0.85 -0.25 2.25 1.01 -1.26 -3.37 121.20 117.49 2fvx s ILE 48 Ca 0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 2fvx s ILE 48 Cb 0.10 -0.84 -0.05 0.00 0.01 0.00 0.00 42.46 41.68 2fvx s ILE 48 CO 0.79 0.31 0.24 -0.76 0.00 0.00 0.00 174.94 175.51 2fvx s LEU 49 N 1.12 4.08 -0.31 2.97 1.43 -0.16 -4.55 118.68 123.26 2fvx s LEU 49 Ca -0.07 0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2fvx s LEU 49 Cb -0.14 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 43.87 2fvx s LEU 49 CO -0.01 -0.03 0.08 -0.63 0.23 0.00 0.00 176.35 175.99 2fvx s ILE 50 N 1.46 3.83 -0.04 -0.59 1.01 -1.21 -0.88 121.20 124.78 2fvx s ILE 50 Ca 0.10 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 59.91 2fvx s ILE 50 Cb -0.15 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.26 2fvx s ILE 50 CO 0.08 -0.03 -0.23 -0.76 0.00 0.00 0.00 174.94 174.00 2fvx s LEU 51 N 1.45 2.03 0.01 2.97 1.43 -0.22 -1.11 118.68 125.23 2fvx s LEU 51 Ca 0.01 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 2fvx s LEU 51 Cb -0.18 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 2fvx s LEU 51 CO 0.02 0.24 -0.02 -0.83 0.23 0.00 0.00 176.35 176.00 2fvx s GLY 52 N -0.26 0.12 -0.27 -3.19 0.00 -0.42 -1.69 107.32 101.61 2fvx s GLY 52 Ca 0.01 -0.22 -0.23 0.00 0.00 0.00 0.00 44.72 44.27 2fvx s GLY 52 CO 0.02 -0.24 0.76 0.00 0.00 0.00 0.00 173.10 173.64 2fvx s SER 54 N 0.62 4.34 0.08 0.00 1.04 -1.25 -4.34 113.70 114.19 2fvx s SER 54 Ca -0.02 1.20 -0.30 0.00 0.48 0.00 0.00 55.95 57.31 2fvx s SER 54 Cb -0.05 -1.89 -0.06 0.00 0.10 0.00 0.00 66.02 64.12 2fvx s SER 54 CO -0.04 -2.05 1.15 0.00 0.98 0.00 0.00 173.24 173.27 2fvx s ALA 55 N -3.21 3.36 0.49 5.32 0.00 -0.91 -4.36 121.76 122.44 2fvx s ALA 55 Ca 0.61 0.80 0.03 0.00 0.00 0.00 0.00 51.96 53.40 2fvx s ALA 55 Cb -0.14 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 2fvx s ALA 55 CO 0.54 -0.35 0.02 -1.64 0.00 0.00 0.00 175.76 174.32 2fvx s MET 56 N 0.69 2.15 0.00 0.00 -1.94 -0.05 -4.87 119.30 115.28 2fvx s MET 56 Ca 0.56 -2.32 0.00 0.00 -1.71 0.00 0.00 55.69 52.21 2fvx s MET 56 Cb -0.28 -1.58 0.00 0.00 2.01 0.00 0.00 34.83 34.97 2fvx s MET 56 CO 0.31 -0.31 0.00 2.41 -0.01 0.00 0.00 175.02 177.42 2fvx n THR 57 N -1.23 0.00 -3.01 2.05 -1.04 -1.26 -1.25 114.28 108.54 2fvx n THR 57 Ca -0.16 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.73 2fvx n THR 57 Cb 0.67 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.24 2fvx n THR 57 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2fvx n ASP 58 N 0.00 -4.07 -3.94 8.00 8.00 -1.26 -4.06 116.55 119.21 2fvx n ASP 58 Ca 0.00 -0.54 -0.32 0.00 0.71 0.00 0.00 54.79 54.64 2fvx n ASP 58 Cb 0.00 -4.25 -0.00 0.00 -0.02 0.00 0.00 41.12 36.85 2fvx n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2fvx n GLU 59 N -3.17 -1.81 -4.26 -1.24 -0.58 -0.38 -5.02 120.64 104.18 2fvx n GLU 59 Ca -0.14 0.32 -0.14 0.00 -0.42 0.00 0.00 57.16 56.78 2fvx n GLU 59 Cb 0.61 -3.91 -0.10 0.00 -0.57 0.00 0.00 31.44 27.47 2fvx n GLU 59 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2fvx s VAL 60 N -3.78 0.58 0.63 2.62 -7.23 -0.73 -4.15 120.40 108.33 2fvx s VAL 60 Ca 0.24 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.26 2fvx s VAL 60 Cb -0.10 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 2fvx s VAL 60 CO 0.91 -0.28 1.10 -0.76 -0.31 0.00 0.00 175.10 175.77 2fvx s LEU 61 N -3.22 3.46 0.19 1.32 1.43 -1.26 -0.87 118.68 119.73 2fvx s LEU 61 Ca 0.30 1.98 -0.33 0.00 -1.03 0.00 0.00 54.13 55.05 2fvx s LEU 61 Cb 0.07 -4.55 -0.13 0.00 0.03 0.00 0.00 46.19 41.61 2fvx s LEU 61 CO 0.08 -1.48 1.60 1.21 0.23 0.00 0.00 176.35 177.99 2fvx n GLU 62 N -2.19 2.35 0.08 1.70 0.00 -1.26 -4.76 120.64 116.54 2fvx n GLU 62 Ca 0.10 0.84 -0.12 0.00 0.00 0.00 0.00 57.16 57.98 2fvx n GLU 62 Cb 0.52 -2.62 -0.13 0.00 0.00 0.00 0.00 31.44 29.21 2fvx n GLU 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2fvx h GLU 63 N 5.84 0.15 0.00 5.31 5.08 -1.96 0.56 114.58 129.55 2fvx h GLU 63 Ca -0.45 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 57.53 2fvx h GLU 63 Cb 1.24 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 2fvx h GLU 63 CO 0.88 1.08 -0.78 0.66 -1.00 0.00 0.00 179.01 179.86 2fvx h SER 64 N 0.04 0.00 0.00 1.42 4.64 -2.00 -3.40 113.55 114.25 2fvx h SER 64 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2fvx h SER 64 Cb 1.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.99 2fvx h SER 64 CO 0.16 0.56 -0.64 -0.62 -0.87 0.00 0.00 176.83 175.42 2fvx n GLU 65 N -3.14 0.00 -0.01 4.77 1.02 -1.26 -4.82 120.64 117.20 2fvx n GLU 65 Ca -0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 2fvx n GLU 65 Cb 0.78 -0.35 -0.10 0.00 -0.02 0.00 0.00 31.44 31.75 2fvx n GLU 65 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2fvx h PHE 66 N 0.00 -0.02 -0.25 -0.32 3.57 -1.83 -2.99 116.94 115.10 2fvx h PHE 66 Ca 0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2fvx h PHE 66 Cb 0.64 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 2fvx h PHE 66 CO 0.00 0.48 -0.13 1.49 -2.23 0.00 0.00 178.31 177.93 2fvx h GLU 67 N -0.54 -0.09 -0.86 1.11 4.57 -1.11 -1.23 114.58 116.43 2fvx h GLU 67 Ca -0.00 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 2fvx h GLU 67 Cb 0.51 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.07 2fvx h GLU 67 CO 0.00 -0.06 0.56 -1.35 -1.18 0.00 0.00 179.01 176.99 2fvx h PRO 68 N -0.09 1.01 -0.38 0.92 0.11 -1.76 -0.67 132.00 131.13 2fvx h PRO 68 Ca 0.13 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 2fvx h PRO 68 Cb 0.30 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 2fvx h PRO 68 CO -0.31 0.67 0.23 0.35 -0.21 0.00 0.00 178.00 178.73 2fvx h PHE 69 N 1.04 0.49 -0.70 0.65 3.57 -1.23 0.79 116.94 121.55 2fvx h PHE 69 Ca 0.35 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 2fvx h PHE 69 Cb 0.08 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 2fvx h PHE 69 CO -0.00 0.35 0.32 0.82 -2.23 0.00 0.00 178.31 177.56 2fvx h ILE 70 N 0.50 1.24 -0.46 1.41 1.08 -0.34 -1.98 117.51 118.96 2fvx h ILE 70 Ca 0.14 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 2fvx h ILE 70 Cb -0.01 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.12 2fvx h ILE 70 CO -0.03 0.28 0.29 -0.33 -0.69 0.00 0.00 178.15 177.68 2fvx h GLU 71 N 0.97 0.61 -0.23 2.37 4.39 -0.88 -1.07 114.58 120.75 2fvx h GLU 71 Ca 0.24 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.94 2fvx h GLU 71 Cb 0.15 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 2fvx h GLU 71 CO -0.03 0.42 -0.05 0.93 -1.16 0.00 0.00 179.01 179.13 2fvx h GLU 72 N 0.62 0.01 0.00 2.33 4.39 -0.40 -2.99 114.58 118.54 2fvx h GLU 72 Ca 0.17 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2fvx h GLU 72 Cb -0.05 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2fvx h GLU 72 CO -0.03 0.01 -0.23 0.44 -1.16 0.00 0.00 179.01 178.04 2fvx n ILE 73 N -5.20 0.06 -0.34 3.13 -5.35 -0.78 -4.37 119.36 106.51 2fvx n ILE 73 Ca -0.02 -0.04 0.21 0.00 -0.27 0.00 0.00 62.75 62.64 2fvx n ILE 73 Cb 0.13 -0.20 0.46 0.00 -1.74 0.00 0.00 39.64 38.29 2fvx n ILE 73 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2fvx h SER 74 N 0.00 0.54 0.41 7.28 4.64 -1.03 -0.80 113.55 124.58 2fvx h SER 74 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2fvx h SER 74 Cb 0.53 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2fvx h SER 74 CO 0.00 0.08 -0.17 0.35 -0.87 0.00 0.00 176.83 176.22 2fvx n THR 75 N -4.74 0.00 -0.92 2.95 -2.24 -1.26 -4.07 114.28 104.00 2fvx n THR 75 Ca 0.26 -0.06 0.08 0.00 -2.27 0.00 0.00 64.05 62.07 2fvx n THR 75 Cb 0.84 0.01 0.12 0.00 -2.10 0.00 0.00 70.33 69.20 2fvx n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2fvx n LYS 76 N -1.01 1.53 0.00 -0.78 5.02 -0.31 -4.70 118.16 117.90 2fvx n LYS 76 Ca 0.12 -2.40 0.00 0.00 -2.02 0.00 0.00 58.31 54.01 2fvx n LYS 76 Cb 0.30 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2fvx n LYS 76 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2fvx n ILE 77 N -1.28 0.79 -1.68 -0.18 -5.35 -1.19 -5.01 119.36 105.45 2fvx n ILE 77 Ca 0.13 -0.83 -0.44 0.00 -0.27 0.00 0.00 62.75 61.34 2fvx n ILE 77 Cb 0.58 0.62 -0.03 0.00 -1.74 0.00 0.00 39.64 39.08 2fvx n ILE 77 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2fvx n SER 78 N -0.39 2.89 0.00 7.28 2.88 -1.25 -1.22 113.62 123.80 2fvx n SER 78 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2fvx n SER 78 Cb 0.25 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.27 2fvx n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2fvx n GLY 79 N 2.22 2.01 3.85 0.46 0.00 0.10 -4.92 105.19 108.92 2fvx n GLY 79 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2fvx n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fvx s LYS 80 N -0.07 3.93 0.04 1.61 1.02 -0.36 -4.74 119.74 121.18 2fvx s LYS 80 Ca 0.00 0.76 -0.21 0.00 0.02 0.00 0.00 55.97 56.55 2fvx s LYS 80 Cb 0.00 -2.28 -0.06 0.00 -0.52 0.00 0.00 37.83 34.97 2fvx s LYS 80 CO 0.00 -0.09 0.60 0.15 -0.92 0.00 0.00 175.35 175.09 2fvx s LYS 81 N -3.71 4.29 0.03 1.68 1.02 -1.22 -0.30 119.74 121.54 2fvx s LYS 81 Ca 0.56 0.78 0.01 0.00 0.02 0.00 0.00 55.97 57.34 2fvx s LYS 81 Cb -0.10 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.90 2fvx s LYS 81 CO 0.27 0.50 -0.06 0.14 -0.92 0.00 0.00 175.35 175.28 2fvx s VAL 82 N -0.66 0.36 -0.06 3.17 -7.23 -0.06 -0.98 120.40 114.94 2fvx s VAL 82 Ca 0.31 -0.88 0.02 0.00 -1.81 0.00 0.00 61.98 59.63 2fvx s VAL 82 Cb -0.19 -0.43 0.01 0.00 0.56 0.00 0.00 36.38 36.32 2fvx s VAL 82 CO 0.19 -0.35 -0.12 0.00 -0.31 0.00 0.00 175.10 174.51 2fvx s ALA 83 N -1.20 1.24 0.05 1.32 0.00 -0.06 -1.42 121.76 121.70 2fvx s ALA 83 Ca -0.10 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.51 2fvx s ALA 83 Cb -0.09 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 2fvx s ALA 83 CO -0.00 0.13 -0.21 -0.51 0.00 0.00 0.00 175.76 175.17 2fvx s LEU 84 N 0.55 2.49 0.21 0.00 1.43 -1.26 -1.06 118.68 121.04 2fvx s LEU 84 Ca -0.12 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 52.32 2fvx s LEU 84 Cb -0.15 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.65 2fvx s LEU 84 CO 0.03 0.25 0.49 0.72 0.23 0.00 0.00 176.35 178.07 2fvx s PHE 85 N -0.92 0.04 0.00 0.29 -0.71 -0.68 -1.39 117.98 114.61 2fvx s PHE 85 Ca 0.14 -0.40 0.00 0.00 -1.04 0.00 0.00 56.93 55.63 2fvx s PHE 85 Cb -0.10 0.31 0.00 0.00 -1.21 0.00 0.00 43.02 42.02 2fvx s PHE 85 CO 0.05 -0.92 0.00 0.41 -1.34 0.00 0.00 175.22 173.42 2fvx n GLY 86 N -0.34 2.15 3.93 1.99 0.00 -0.57 -2.10 105.19 110.26 2fvx n GLY 86 Ca -0.08 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 2fvx n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fvx s SER 87 N 0.00 6.26 0.19 1.61 0.15 -1.26 -2.35 113.70 118.31 2fvx s SER 87 Ca 0.00 0.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 2fvx s SER 87 Cb 0.00 -1.87 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 2fvx s SER 87 CO 0.00 0.07 0.18 -0.72 1.20 0.00 0.00 173.24 173.98 2fvx s TYR 88 N -1.70 0.94 -0.06 3.44 1.13 -0.74 -2.14 117.35 118.22 2fvx s TYR 88 Ca 0.34 -1.22 -0.07 0.00 -1.41 0.00 0.00 57.07 54.72 2fvx s TYR 88 Cb -0.11 -0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 40.31 2fvx s TYR 88 CO 0.28 -0.68 -0.15 0.41 -2.51 0.00 0.00 175.55 172.90 2fvx n GLY 89 N -0.26 -0.22 0.00 5.49 0.00 -1.26 -0.56 105.19 108.38 2fvx n GLY 89 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2fvx n GLY 89 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2fvx n TRP 90 N -3.72 0.00 -0.23 1.61 2.14 -1.26 -4.79 117.44 111.20 2fvx n TRP 90 Ca -0.14 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.43 2fvx n TRP 90 Cb 0.43 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.93 2fvx n TRP 90 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2fvx n GLY 91 N 1.31 -1.00 0.61 -1.67 0.00 -1.26 -5.02 105.19 98.16 2fvx n GLY 91 Ca 0.00 -1.61 0.06 0.00 0.00 0.00 0.00 46.02 44.47 2fvx n GLY 91 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2fvx n ASP 92 N -0.73 1.60 0.00 1.61 5.68 -1.26 -4.97 116.55 118.48 2fvx n ASP 92 Ca 0.00 -3.22 0.00 0.00 -0.50 0.00 0.00 54.79 51.07 2fvx n ASP 92 Cb 0.00 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 2fvx n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fvx n GLY 93 N -0.83 0.88 0.23 6.12 0.00 -1.26 -5.00 105.19 105.34 2fvx n GLY 93 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2fvx n GLY 93 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2fvx h LYS 94 N 1.25 0.52 -0.57 1.61 1.63 -1.94 -1.29 116.57 117.78 2fvx h LYS 94 Ca 0.00 -0.03 0.06 0.00 -0.85 0.00 0.00 60.65 59.83 2fvx h LYS 94 Cb 0.00 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 2fvx h LYS 94 CO 0.00 0.35 0.38 0.11 -3.45 0.00 0.00 179.45 176.84 2fvx h TRP 95 N 0.54 0.56 0.07 1.91 0.09 -1.95 -1.07 115.95 116.10 2fvx h TRP 95 Ca 0.28 0.01 -0.25 0.00 0.09 0.00 0.00 58.89 59.02 2fvx h TRP 95 Cb 0.23 -0.18 0.00 0.00 0.08 0.00 0.00 29.16 29.28 2fvx h TRP 95 CO -0.11 0.30 -1.11 1.98 0.09 0.00 0.00 178.44 179.60 2fvx h MET 96 N 0.56 0.29 -0.69 0.12 4.05 -1.68 -0.79 114.93 116.79 2fvx h MET 96 Ca 0.25 -0.41 -0.02 0.00 -0.28 0.00 0.00 59.70 59.23 2fvx h MET 96 Cb 0.26 0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.17 2fvx h MET 96 CO -0.07 1.15 0.35 0.00 0.23 0.00 0.00 176.91 178.57 2fvx h ARG 97 N 0.12 0.98 -0.47 0.39 3.08 -0.42 -0.50 114.38 117.57 2fvx h ARG 97 Ca -0.10 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.69 2fvx h ARG 97 Cb 1.80 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.65 2fvx h ARG 97 CO 0.18 0.76 -0.18 -0.44 -1.07 0.00 0.00 179.97 179.22 2fvx h ASP 98 N 0.95 0.97 -0.40 7.04 3.32 -1.18 -2.00 116.42 125.11 2fvx h ASP 98 Ca 0.24 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 2fvx h ASP 98 Cb 0.09 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2fvx h ASP 98 CO -0.03 1.14 0.22 0.15 -1.72 0.00 0.00 179.24 178.99 2fvx h PHE 99 N 0.79 0.56 -0.58 4.55 3.57 -0.79 -0.21 116.94 124.82 2fvx h PHE 99 Ca 0.11 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 2fvx h PHE 99 Cb 0.75 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 2fvx h PHE 99 CO 0.05 0.43 0.19 1.49 -2.23 0.00 0.00 178.31 178.24 2fvx h GLU 100 N 0.52 0.90 -0.74 1.11 4.81 -1.04 -1.11 114.58 119.03 2fvx h GLU 100 Ca 0.14 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2fvx h GLU 100 Cb 0.06 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2fvx h GLU 100 CO -0.02 0.81 0.44 1.49 -0.73 0.00 0.00 179.01 180.99 2fvx h GLU 101 N 0.82 1.01 0.08 1.92 4.81 -1.07 -1.65 114.58 120.50 2fvx h GLU 101 Ca 0.19 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2fvx h GLU 101 Cb 0.28 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2fvx h GLU 101 CO -0.01 0.72 -0.04 -0.09 -0.73 0.00 0.00 179.01 178.87 2fvx h ARG 102 N 1.01 -0.10 -0.54 1.92 2.43 -0.68 -0.19 114.38 118.23 2fvx h ARG 102 Ca 0.26 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 2fvx h ARG 102 Cb -0.02 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2fvx h ARG 102 CO -0.05 -0.03 0.24 0.52 -1.51 0.00 0.00 179.97 179.14 2fvx h MET 103 N -0.15 0.77 -0.48 0.20 2.86 -1.07 -1.25 114.93 115.82 2fvx h MET 103 Ca -0.01 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 2fvx h MET 103 Cb 0.12 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2fvx h MET 103 CO 0.02 0.62 0.09 -0.91 1.06 0.00 0.00 176.91 177.79 2fvx h ASN 104 N 0.77 0.75 0.16 1.22 2.35 -1.09 -2.05 115.58 117.69 2fvx h ASN 104 Ca 0.19 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2fvx h ASN 104 Cb 0.12 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 2fvx h ASN 104 CO -0.02 0.80 -0.03 1.23 -1.65 0.00 0.00 177.43 177.76 2fvx h GLY 105 N 0.66 0.00 0.63 2.83 0.00 0.12 -0.07 103.07 107.24 2fvx h GLY 105 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2fvx h GLY 105 CO 0.01 0.00 -0.05 -1.72 0.00 0.00 0.00 176.54 174.77 2fvx n TYR 106 N -3.53 0.00 -0.20 5.60 4.01 -0.80 -4.91 117.16 117.32 2fvx n TYR 106 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2fvx n TYR 106 Cb 0.13 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2fvx n TYR 106 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2fvx n GLY 107 N 1.18 0.83 3.85 2.72 0.00 -0.04 -3.86 105.19 109.86 2fvx n GLY 107 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2fvx n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fvx s VAL 109 N -3.12 3.46 -0.68 0.00 1.01 0.59 -4.48 120.40 117.18 2fvx s VAL 109 Ca 0.56 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 2fvx s VAL 109 Cb -0.12 -2.93 0.04 0.00 0.00 0.00 0.00 36.38 33.36 2fvx s VAL 109 CO 0.54 -0.10 1.20 -0.69 0.00 0.00 0.00 175.10 176.06 2fvx s VAL 110 N 1.35 3.90 0.44 2.92 1.01 -1.26 -0.88 120.40 127.88 2fvx s VAL 110 Ca -0.02 0.43 0.25 0.00 0.00 0.00 0.00 61.98 62.64 2fvx s VAL 110 Cb -0.19 -4.83 0.28 0.00 0.00 0.00 0.00 36.38 31.64 2fvx s VAL 110 CO 0.01 -1.65 2.08 -0.37 0.00 0.00 0.00 175.10 175.17 2fvx h VAL 111 N 6.05 0.67 -4.16 2.92 -1.51 -1.62 -3.46 116.25 115.15 2fvx h VAL 111 Ca -0.27 -0.49 -0.15 0.00 -1.23 0.00 0.00 66.70 64.56 2fvx h VAL 111 Cb 1.06 1.30 -0.13 0.00 -2.13 0.00 0.00 31.29 31.38 2fvx h VAL 111 CO 1.24 0.12 -0.45 -1.61 -1.23 0.00 0.00 177.57 175.64 2fvx s GLU 112 N -4.33 1.17 0.23 5.19 0.41 -1.26 -5.10 118.70 115.01 2fvx s GLU 112 Ca -0.03 -1.36 -0.30 0.00 -0.41 0.00 0.00 54.97 52.86 2fvx s GLU 112 Cb 0.14 0.33 -0.10 0.00 -1.78 0.00 0.00 34.13 32.72 2fvx s GLU 112 CO 0.60 -0.41 1.44 0.99 -0.49 0.00 0.00 175.26 177.39 2fvx s THR 113 N -4.04 2.75 0.41 3.63 2.01 -1.26 -4.78 115.64 114.35 2fvx s THR 113 Ca 0.25 0.61 -0.27 0.00 0.31 0.00 0.00 61.69 62.59 2fvx s THR 113 Cb 0.05 -3.39 -0.10 0.00 0.01 0.00 0.00 72.50 69.07 2fvx s THR 113 CO 0.05 0.09 1.41 -2.65 -0.69 0.00 0.00 174.62 172.82 2fvx n PRO 114 N 2.61 2.33 -3.33 4.92 -0.02 -1.26 -4.87 135.00 135.38 2fvx n PRO 114 Ca 0.08 0.82 -0.40 0.00 -2.02 0.00 0.00 63.50 61.97 2fvx n PRO 114 Cb 0.40 -2.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.23 2fvx n PRO 114 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2fvx s LEU 115 N -2.09 4.26 -0.04 2.45 2.96 -0.48 -4.97 118.68 120.77 2fvx s LEU 115 Ca 0.58 0.04 0.06 0.00 -0.22 0.00 0.00 54.13 54.59 2fvx s LEU 115 Cb -0.48 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 43.73 2fvx s LEU 115 CO 0.60 -0.34 -0.21 0.27 -1.32 0.00 0.00 176.35 175.35 2fvx s ILE 116 N 2.18 1.71 -0.02 6.68 -4.36 -1.26 -1.51 121.20 124.64 2fvx s ILE 116 Ca 0.16 -0.89 0.03 0.00 -0.26 0.00 0.00 60.65 59.69 2fvx s ILE 116 Cb -0.16 -1.45 -0.01 0.00 1.25 0.00 0.00 42.46 42.10 2fvx s ILE 116 CO 0.12 0.48 -0.11 -0.69 0.24 0.00 0.00 174.94 174.97 2fvx s VAL 117 N -0.18 0.93 -0.09 8.37 1.01 -0.99 -5.00 120.40 124.44 2fvx s VAL 117 Ca -0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.23 2fvx s VAL 117 Cb -0.11 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 2fvx s VAL 117 CO 0.02 0.27 0.86 -1.58 0.00 0.00 0.00 175.10 174.66 2fvx s GLN 118 N -0.14 4.42 3.82 2.72 0.74 -1.26 -1.79 119.66 128.16 2fvx s GLN 118 Ca 0.02 1.13 0.00 0.00 0.05 0.00 0.00 55.36 56.56 2fvx s GLN 118 Cb -0.06 -3.51 0.00 0.00 1.10 0.00 0.00 33.01 30.54 2fvx s GLN 118 CO -0.00 -0.15 0.00 0.09 -0.55 0.00 0.00 175.29 174.68 2fvx n ASN 119 N 4.49 0.00 -4.77 6.67 3.02 0.27 -4.70 115.26 120.25 2fvx n ASN 119 Ca 0.04 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.19 2fvx n ASN 119 Cb 0.50 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.64 2fvx n ASN 119 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2fvx s GLU 120 N 0.00 4.38 -0.94 3.52 2.12 -1.26 -4.72 118.70 121.81 2fvx s GLU 120 Ca 0.00 1.93 -0.24 0.00 0.36 0.00 0.00 54.97 57.02 2fvx s GLU 120 Cb 0.00 -3.00 0.05 0.00 0.26 0.00 0.00 34.13 31.44 2fvx s GLU 120 CO 0.00 -0.06 1.39 -1.25 -0.54 0.00 0.00 175.26 174.80 2fvx s PRO 121 N -1.81 3.47 -0.11 4.30 0.04 -1.26 -4.68 135.00 134.95 2fvx s PRO 121 Ca 0.50 -0.88 -0.12 0.00 0.04 0.00 0.00 61.00 60.54 2fvx s PRO 121 Cb -0.34 -5.01 -0.04 0.00 0.04 0.00 0.00 34.50 29.15 2fvx s PRO 121 CO 0.44 -2.18 -0.23 -3.47 0.04 0.00 0.00 177.00 171.60 2fvx n ASP 122 N 8.98 1.32 0.18 6.66 2.03 -1.26 -4.36 116.55 130.09 2fvx n ASP 122 Ca 0.24 0.22 0.06 0.00 0.52 0.00 0.00 54.79 55.83 2fvx n ASP 122 Cb 0.50 -0.64 0.21 0.00 -0.72 0.00 0.00 41.12 40.47 2fvx n ASP 122 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2fvx h GLU 123 N -0.65 0.00 -0.54 -0.67 4.11 -1.99 -3.20 114.58 111.63 2fvx h GLU 123 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2fvx h GLU 123 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2fvx h GLU 123 CO 0.00 0.35 0.00 0.00 0.07 0.00 0.00 179.01 179.43 2fvx n ALA 124 N -2.22 2.75 -0.11 1.06 0.00 -1.26 -4.47 120.51 116.26 2fvx n ALA 124 Ca 0.01 -0.82 -0.05 0.00 0.00 0.00 0.00 53.44 52.58 2fvx n ALA 124 Cb 0.60 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 19.06 2fvx n ALA 124 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2fvx h GLU 125 N 2.25 0.11 -0.46 0.00 5.08 -1.75 -1.32 114.58 118.49 2fvx h GLU 125 Ca 0.00 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2fvx h GLU 125 Cb 0.83 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 2fvx h GLU 125 CO 0.10 0.07 0.03 0.37 -1.00 0.00 0.00 179.01 178.59 2fvx h GLN 126 N 0.11 0.73 -0.90 2.33 5.75 -1.89 -1.84 115.11 119.40 2fvx h GLN 126 Ca 0.19 -0.17 0.06 0.00 -0.15 0.00 0.00 58.65 58.57 2fvx h GLN 126 Cb 0.26 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.66 2fvx h GLN 126 CO -0.31 0.72 0.58 -0.44 -2.65 0.00 0.00 178.83 176.74 2fvx h ASP 127 N 0.69 0.91 -0.18 -0.69 3.32 -1.57 0.79 116.42 119.69 2fvx h ASP 127 Ca 0.14 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 2fvx h ASP 127 Cb 0.38 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2fvx h ASP 127 CO 0.01 0.60 -0.06 0.00 -1.72 0.00 0.00 179.24 178.07 2fvx h ILE 129 N 0.05 1.01 -0.40 0.00 2.04 -0.90 -2.26 117.51 117.05 2fvx h ILE 129 Ca 0.04 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 2fvx h ILE 129 Cb 0.52 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2fvx h ILE 129 CO 0.02 0.11 0.07 -0.33 0.00 0.00 0.00 178.15 178.02 2fvx h GLU 130 N 0.61 0.60 -0.40 2.37 4.39 -0.79 -1.10 114.58 120.27 2fvx h GLU 130 Ca 0.24 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 2fvx h GLU 130 Cb 0.09 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2fvx h GLU 130 CO -0.13 0.58 0.16 0.35 -1.16 0.00 0.00 179.01 178.81 2fvx h PHE 131 N 0.59 0.60 -0.67 4.33 3.57 -0.91 -0.35 116.94 124.09 2fvx h PHE 131 Ca 0.13 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.60 2fvx h PHE 131 Cb 0.27 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 2fvx h PHE 131 CO 0.01 0.53 0.44 0.78 -2.23 0.00 0.00 178.31 177.83 2fvx h GLY 132 N 0.50 0.95 1.21 2.40 0.00 -0.84 -1.62 103.07 105.67 2fvx h GLY 132 Ca 0.13 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 2fvx h GLY 132 CO -0.01 0.32 0.28 0.50 0.00 0.00 0.00 176.54 177.63 2fvx h LYS 133 N 0.88 1.01 -0.61 4.80 1.57 -0.77 -0.92 116.57 122.52 2fvx h LYS 133 Ca 0.25 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2fvx h LYS 133 Cb -0.07 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 2fvx h LYS 133 CO -0.07 0.81 0.28 0.87 -0.57 0.00 0.00 179.45 180.78 2fvx h LYS 134 N 0.99 0.89 -0.62 3.15 1.57 -0.45 -2.54 116.57 119.57 2fvx h LYS 134 Ca 0.23 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2fvx h LYS 134 Cb 0.17 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2fvx h LYS 134 CO -0.02 0.73 0.14 0.82 -0.57 0.00 0.00 179.45 180.55 2fvx h ILE 135 N 0.85 1.25 0.00 1.86 2.04 -0.82 -2.23 117.51 120.46 2fvx h ILE 135 Ca 0.21 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2fvx h ILE 135 Cb 0.14 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2fvx h ILE 135 CO -0.02 0.35 0.00 0.00 0.00 0.00 0.00 178.15 178.47 2fvx n ALA 136 N -2.43 1.47 0.79 1.87 0.00 -0.40 -2.16 120.51 119.66 2fvx n ALA 136 Ca 0.03 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.72 2fvx n ALA 136 Cb 0.25 -1.37 0.26 0.00 0.00 0.00 0.00 19.45 18.59 2fvx n ALA 136 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2fvx n ASN 137 N -2.26 2.72 -0.31 0.00 4.13 -0.84 -5.07 115.26 113.63 2fvx n ASN 137 Ca 0.01 -1.88 0.15 0.00 1.68 0.00 0.00 54.58 54.54 2fvx n ASN 137 Cb 0.17 -0.14 0.68 0.00 -1.54 0.00 0.00 39.78 38.94 2fvx n ASN 137 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16