#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fl9 s ILE 2 N 0.00 2.73 -0.51 3.17 1.01 -0.83 -4.90 121.20 121.87 3fl9 s ILE 2 Ca 0.00 0.05 -0.17 0.00 0.00 0.00 0.00 60.65 60.53 3fl9 s ILE 2 Cb 0.00 -3.03 0.09 0.00 0.01 0.00 0.00 42.46 39.52 3fl9 s ILE 2 CO 0.00 -0.00 0.49 -0.69 0.00 0.00 0.00 174.94 174.74 3fl9 s VAL 3 N 3.39 5.12 0.05 2.92 1.01 -1.26 -0.80 120.40 130.82 3fl9 s VAL 3 Ca 0.84 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3fl9 s VAL 3 Cb -0.45 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.65 3fl9 s VAL 3 CO 0.38 -0.74 0.06 -0.44 0.00 0.00 0.00 175.10 174.35 3fl9 s SER 4 N 2.96 5.44 0.02 3.32 0.01 -0.60 0.16 113.70 125.01 3fl9 s SER 4 Ca 0.07 0.01 -0.04 0.00 1.31 0.00 0.00 55.95 57.30 3fl9 s SER 4 Cb -0.25 -1.46 -0.04 0.00 0.21 0.00 0.00 66.02 64.48 3fl9 s SER 4 CO 0.07 0.21 0.23 -0.36 0.41 0.00 0.00 173.24 173.80 3fl9 s PHE 5 N -1.29 3.54 -0.32 2.43 0.08 0.70 0.65 117.98 123.78 3fl9 s PHE 5 Ca 0.26 0.42 -0.00 0.00 0.12 0.00 0.00 56.93 57.72 3fl9 s PHE 5 Cb -0.12 -1.88 0.10 0.00 -0.57 0.00 0.00 43.02 40.55 3fl9 s PHE 5 CO 0.18 0.61 0.10 1.41 -0.10 0.00 0.00 175.22 177.42 3fl9 s MET 6 N -2.06 0.76 0.02 0.44 -2.45 0.17 -0.36 119.30 115.82 3fl9 s MET 6 Ca 0.30 -1.15 0.06 0.00 -1.25 0.00 0.00 55.69 53.65 3fl9 s MET 6 Cb -0.13 -2.04 -0.02 0.00 1.25 0.00 0.00 34.83 33.90 3fl9 s MET 6 CO 0.20 -1.00 -0.18 0.54 1.05 0.00 0.00 175.02 175.63 3fl9 s VAL 7 N 1.52 1.46 -0.17 10.11 0.11 -0.52 -4.46 120.40 128.46 3fl9 s VAL 7 Ca 0.10 -0.99 -0.06 0.00 -2.93 0.00 0.00 61.98 58.10 3fl9 s VAL 7 Cb -0.18 -1.26 -0.04 0.00 -1.53 0.00 0.00 36.38 33.38 3fl9 s VAL 7 CO -0.23 0.25 0.03 0.00 -3.33 0.00 0.00 175.10 171.81 3fl9 s ALA 8 N -0.66 3.28 0.00 1.54 0.00 -1.26 -0.56 121.76 124.11 3fl9 s ALA 8 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3fl9 s ALA 8 Cb -0.08 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.25 3fl9 s ALA 8 CO 0.01 0.21 0.00 -0.12 0.00 0.00 0.00 175.76 175.86 3fl9 n MET 9 N 3.47 2.65 -4.24 0.00 1.56 0.44 -4.54 117.12 116.47 3fl9 n MET 9 Ca -0.17 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.08 3fl9 n MET 9 Cb 0.52 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 35.82 3fl9 n MET 9 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 3fl9 s ASP 10 N -0.13 1.34 0.21 6.12 2.15 -1.14 -2.60 116.67 122.64 3fl9 s ASP 10 Ca 0.00 -1.66 -0.08 0.00 0.43 0.00 0.00 52.55 51.23 3fl9 s ASP 10 Cb 0.00 0.55 0.17 0.00 -0.30 0.00 0.00 42.92 43.33 3fl9 s ASP 10 CO 0.00 -1.07 1.82 1.05 -0.17 0.00 0.00 175.17 176.81 3fl9 h GLU 11 N 2.20 1.14 -0.63 4.34 9.09 -1.17 -2.21 114.58 127.34 3fl9 h GLU 11 Ca -0.27 -0.15 -0.04 0.00 0.05 0.00 0.00 59.36 58.95 3fl9 h GLU 11 Cb 1.24 -0.22 -0.03 0.00 -1.65 0.00 0.00 28.75 28.09 3fl9 h GLU 11 CO 0.39 0.86 0.05 0.09 0.05 0.00 0.00 179.01 180.45 3fl9 n ASN 12 N -4.38 5.45 -1.78 3.06 3.02 -1.26 -4.91 115.26 114.46 3fl9 n ASN 12 Ca 0.08 -2.96 -0.16 0.00 -0.03 0.00 0.00 54.58 51.51 3fl9 n ASN 12 Cb 0.11 -0.70 -0.01 0.00 -0.61 0.00 0.00 39.78 38.57 3fl9 n ASN 12 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3fl9 n ARG 13 N 0.46 -1.27 -2.37 3.52 1.74 -0.83 -4.85 116.66 113.06 3fl9 n ARG 13 Ca 0.30 0.81 -0.42 0.00 -0.77 0.00 0.00 57.85 57.76 3fl9 n ARG 13 Cb 1.21 -5.18 -0.03 0.00 -1.02 0.00 0.00 32.46 27.44 3fl9 n ARG 13 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3fl9 s VAL 14 N -2.78 3.86 -0.09 1.55 1.01 -1.26 -1.12 120.40 121.56 3fl9 s VAL 14 Ca 0.00 1.36 0.13 0.00 0.00 0.00 0.00 61.98 63.47 3fl9 s VAL 14 Cb 0.00 -3.87 0.23 0.00 0.00 0.00 0.00 36.38 32.74 3fl9 s VAL 14 CO 0.00 0.12 1.11 2.30 0.00 0.00 0.00 175.10 178.63 3fl9 n ILE 15 N 3.79 1.26 0.00 2.22 -5.35 -1.15 -2.88 119.36 117.25 3fl9 n ILE 15 Ca 0.09 -1.63 0.00 0.00 -0.27 0.00 0.00 62.75 60.94 3fl9 n ILE 15 Cb 0.45 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 3fl9 n ILE 15 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fl9 n GLY 16 N -0.87 0.43 0.00 3.28 0.00 -1.24 -4.81 105.19 101.98 3fl9 n GLY 16 Ca 0.11 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3fl9 n GLY 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fl9 n LYS 17 N -0.82 0.00 0.24 1.61 4.81 -0.54 -1.77 118.16 121.69 3fl9 n LYS 17 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.51 3fl9 n LYS 17 Cb 0.00 0.00 0.60 0.00 0.02 0.00 0.00 35.03 35.65 3fl9 n LYS 17 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 3fl9 h ASP 18 N 0.00 0.03 0.00 3.14 3.04 -1.96 -3.28 116.42 117.39 3fl9 h ASP 18 Ca 0.00 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3fl9 h ASP 18 Cb 0.00 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.28 3fl9 h ASP 18 CO 0.00 0.05 0.00 0.59 -2.04 0.00 0.00 179.24 177.84 3fl9 n ASN 19 N -4.50 0.00 -5.02 4.15 3.02 -1.26 -5.03 115.26 106.62 3fl9 n ASN 19 Ca -0.03 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.32 3fl9 n ASN 19 Cb 0.11 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.34 3fl9 n ASN 19 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3fl9 s ASN 20 N -0.21 5.02 0.25 6.41 -0.87 -1.26 -4.68 114.94 119.59 3fl9 s ASN 20 Ca 0.00 -0.92 -0.30 0.00 -1.57 0.00 0.00 52.86 50.07 3fl9 s ASN 20 Cb 0.00 0.35 -0.09 0.00 -0.02 0.00 0.00 41.25 41.49 3fl9 s ASN 20 CO 0.00 -1.33 0.96 -0.76 -2.57 0.00 0.00 177.10 173.40 3fl9 s LEU 21 N -4.62 4.63 0.24 0.60 1.02 -1.26 -1.46 118.68 117.82 3fl9 s LEU 21 Ca 0.58 1.98 0.25 0.00 0.02 0.00 0.00 54.13 56.96 3fl9 s LEU 21 Cb -0.05 -3.63 0.89 0.00 0.02 0.00 0.00 46.19 43.43 3fl9 s LEU 21 CO 0.36 0.12 1.75 -2.65 0.02 0.00 0.00 176.35 175.95 3fl9 n PRO 22 N 1.42 0.23 -4.47 1.29 -0.02 -1.26 -4.82 135.00 127.37 3fl9 n PRO 22 Ca -0.02 0.31 -0.24 0.00 -2.02 0.00 0.00 63.50 61.53 3fl9 n PRO 22 Cb 0.47 -1.84 -0.10 0.00 -0.02 0.00 0.00 33.50 32.01 3fl9 n PRO 22 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3fl9 s TRP 23 N -3.20 2.32 -0.50 6.00 -2.14 -1.26 -5.05 118.94 115.11 3fl9 s TRP 23 Ca 0.08 -0.35 0.03 0.00 2.66 0.00 0.00 56.10 58.51 3fl9 s TRP 23 Cb 0.11 -1.06 0.14 0.00 -3.10 0.00 0.00 33.47 29.55 3fl9 s TRP 23 CO 0.50 0.69 0.27 0.50 -2.66 0.00 0.00 176.95 176.26 3fl9 s ARG 24 N -3.53 1.67 -0.57 3.25 3.52 -1.26 -5.05 118.95 116.98 3fl9 s ARG 24 Ca 0.30 -2.39 0.04 0.00 -0.13 0.00 0.00 55.73 53.55 3fl9 s ARG 24 Cb -0.04 -2.82 0.14 0.00 -1.56 0.00 0.00 34.95 30.68 3fl9 s ARG 24 CO 0.15 -1.16 0.33 -0.51 -0.81 0.00 0.00 175.30 173.31 3fl9 s LEU 25 N -0.09 4.21 0.53 -0.88 1.43 -1.26 -4.56 118.68 118.05 3fl9 s LEU 25 Ca 0.18 -3.24 0.21 0.00 -1.03 0.00 0.00 54.13 50.25 3fl9 s LEU 25 Cb -0.22 -1.53 1.36 0.00 0.03 0.00 0.00 46.19 45.82 3fl9 s LEU 25 CO -0.02 -0.19 2.10 -0.65 0.23 0.00 0.00 176.35 177.82 3fl9 h PRO 26 N 6.14 0.00 0.03 1.29 0.11 -1.98 0.28 132.00 137.88 3fl9 h PRO 26 Ca 0.01 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 3fl9 h PRO 26 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3fl9 h PRO 26 CO 0.67 0.00 -0.02 1.03 -0.21 0.00 0.00 178.00 179.47 3fl9 h SER 27 N 0.00 -0.04 -0.33 -2.05 0.87 -1.91 -2.03 113.55 108.06 3fl9 h SER 27 Ca 0.09 -0.65 0.07 0.00 -1.23 0.00 0.00 61.79 60.08 3fl9 h SER 27 Cb 0.37 0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.26 3fl9 h SER 27 CO -0.00 0.66 -0.21 -0.08 -0.53 0.00 0.00 176.83 176.67 3fl9 h GLU 28 N -0.78 -0.16 -0.02 2.24 4.22 -1.82 -0.05 114.58 118.20 3fl9 h GLU 28 Ca -0.00 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 3fl9 h GLU 28 Cb 0.68 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 3fl9 h GLU 28 CO 0.01 -0.11 -0.02 -0.07 -2.18 0.00 0.00 179.01 176.64 3fl9 h LEU 29 N -0.17 0.03 -0.20 1.64 3.38 -1.00 0.70 115.31 119.69 3fl9 h LEU 29 Ca 0.17 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3fl9 h LEU 29 Cb 0.43 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3fl9 h LEU 29 CO -0.43 0.06 -0.17 -0.61 0.09 0.00 0.00 178.44 177.37 3fl9 h GLN 30 N 0.03 0.48 -0.44 1.13 5.75 -0.40 0.45 115.11 122.11 3fl9 h GLN 30 Ca 0.01 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.26 3fl9 h GLN 30 Cb 0.06 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 3fl9 h GLN 30 CO 0.00 0.81 0.25 -0.92 -2.65 0.00 0.00 178.83 176.32 3fl9 h TYR 31 N 0.16 0.57 0.43 3.99 3.20 0.14 0.13 116.97 125.59 3fl9 h TYR 31 Ca 0.04 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3fl9 h TYR 31 Cb 0.71 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3fl9 h TYR 31 CO 0.08 0.40 -0.21 0.28 -1.64 0.00 0.00 178.16 177.06 3fl9 h VAL 32 N 0.60 0.52 -0.97 1.81 2.07 -0.78 -2.29 116.25 117.22 3fl9 h VAL 32 Ca 0.16 -0.40 0.12 0.00 0.82 0.00 0.00 66.70 67.40 3fl9 h VAL 32 Cb -0.00 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.38 3fl9 h VAL 32 CO -0.03 0.07 0.60 0.50 0.02 0.00 0.00 177.57 178.73 3fl9 h LYS 33 N -0.83 0.92 -0.17 1.57 3.64 -0.17 -2.45 116.57 119.08 3fl9 h LYS 33 Ca -0.06 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.07 3fl9 h LYS 33 Cb 0.55 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3fl9 h LYS 33 CO 0.10 0.61 -0.64 0.87 -2.27 0.00 0.00 179.45 178.11 3fl9 h LYS 34 N 0.95 0.73 -0.36 1.90 1.57 -1.02 -2.98 116.57 117.36 3fl9 h LYS 34 Ca 0.48 -0.56 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3fl9 h LYS 34 Cb 0.49 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3fl9 h LYS 34 CO -0.27 1.18 0.11 1.15 -0.57 0.00 0.00 179.45 181.04 3fl9 h THR 35 N 0.44 1.21 -0.01 -0.16 2.02 -0.99 -2.94 112.91 112.49 3fl9 h THR 35 Ca -0.03 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.44 3fl9 h THR 35 Cb 1.27 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3fl9 h THR 35 CO 0.14 0.24 -0.05 1.07 0.37 0.00 0.00 175.52 177.29 3fl9 n THR 36 N -4.63 0.00 -1.79 3.16 5.66 -0.96 -4.88 114.28 110.84 3fl9 n THR 36 Ca -0.01 -0.13 -0.43 0.00 -3.05 0.00 0.00 64.05 60.43 3fl9 n THR 36 Cb 0.18 0.11 -0.03 0.00 -1.55 0.00 0.00 70.33 69.04 3fl9 n THR 36 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 3fl9 s MET 37 N -2.15 3.47 0.00 1.09 1.75 -1.11 -1.11 119.30 121.24 3fl9 s MET 37 Ca 0.37 1.95 0.00 0.00 -1.25 0.00 0.00 55.69 56.76 3fl9 s MET 37 Cb 0.21 -4.24 0.00 0.00 2.84 0.00 0.00 34.83 33.64 3fl9 s MET 37 CO 0.39 -1.70 0.00 0.41 -0.65 0.00 0.00 175.02 173.47 3fl9 n GLY 38 N 5.27 1.07 3.29 2.11 0.00 -1.14 -5.07 105.19 110.73 3fl9 n GLY 38 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 3fl9 n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fl9 s HIS 39 N -2.00 2.00 0.78 1.61 3.76 -0.26 -4.92 115.29 116.25 3fl9 s HIS 39 Ca 0.00 -0.39 -0.15 0.00 -0.15 0.00 0.00 55.06 54.37 3fl9 s HIS 39 Cb 0.00 -1.18 0.02 0.00 1.11 0.00 0.00 32.58 32.53 3fl9 s HIS 39 CO 0.00 0.12 0.86 -2.30 -0.85 0.00 0.00 174.74 172.57 3fl9 n PRO 40 N 1.73 0.24 -3.88 8.40 -0.02 -1.26 -4.29 135.00 135.92 3fl9 n PRO 40 Ca -0.17 0.14 -0.35 0.00 -2.02 0.00 0.00 63.50 61.10 3fl9 n PRO 40 Cb 0.53 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.73 3fl9 n PRO 40 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fl9 s LEU 41 N -2.94 4.35 -0.46 2.45 1.02 1.00 -2.62 118.68 121.48 3fl9 s LEU 41 Ca 0.69 -1.55 -0.21 0.00 0.02 0.00 0.00 54.13 53.09 3fl9 s LEU 41 Cb -0.31 -1.74 0.03 0.00 0.02 0.00 0.00 46.19 44.19 3fl9 s LEU 41 CO 0.55 -0.35 0.67 -0.63 0.02 0.00 0.00 176.35 176.61 3fl9 s ILE 42 N 1.20 4.79 -0.01 -0.59 -1.09 -0.19 -2.03 121.20 123.28 3fl9 s ILE 42 Ca -0.00 0.08 -0.10 0.00 -2.23 0.00 0.00 60.65 58.40 3fl9 s ILE 42 Cb -0.21 -4.25 0.01 0.00 -1.58 0.00 0.00 42.46 36.43 3fl9 s ILE 42 CO -0.02 -0.67 0.20 0.00 -1.23 0.00 0.00 174.94 173.22 3fl9 s MET 43 N 2.92 0.53 1.04 2.79 0.23 -1.01 0.78 119.30 126.58 3fl9 s MET 43 Ca 0.23 -0.27 -0.15 0.00 -1.03 0.00 0.00 55.69 54.47 3fl9 s MET 43 Cb -0.14 0.23 0.21 0.00 -1.53 0.00 0.00 34.83 33.60 3fl9 s MET 43 CO 0.19 -0.13 1.15 0.20 -2.03 0.00 0.00 175.02 174.40 3fl9 s GLY 44 N -1.24 1.61 -0.00 3.16 0.00 -0.94 -1.75 107.32 108.16 3fl9 s GLY 44 Ca -0.13 -0.77 -0.24 0.00 0.00 0.00 0.00 44.72 43.58 3fl9 s GLY 44 CO 0.02 -0.05 1.11 3.21 0.00 0.00 0.00 173.10 177.39 3fl9 h ARG 45 N -1.99 -0.49 -0.08 2.90 3.08 -1.85 -1.20 114.38 114.75 3fl9 h ARG 45 Ca -0.48 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3fl9 h ARG 45 Cb 1.30 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.46 3fl9 h ARG 45 CO 0.47 -0.17 0.05 1.57 -1.07 0.00 0.00 179.97 180.82 3fl9 h LYS 46 N -0.90 0.10 0.77 0.04 2.10 -1.95 -0.44 116.57 116.29 3fl9 h LYS 46 Ca -0.05 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.55 3fl9 h LYS 46 Cb 0.54 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 31.86 3fl9 h LYS 46 CO 0.08 0.07 -0.37 -0.97 -2.00 0.00 0.00 179.45 176.26 3fl9 h ASN 47 N 0.10 -0.88 -0.65 7.07 -0.73 -1.86 -1.90 115.58 116.74 3fl9 h ASN 47 Ca 0.03 0.02 0.17 0.00 1.87 0.00 0.00 56.30 58.39 3fl9 h ASN 47 Cb -0.01 0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.77 3fl9 h ASN 47 CO -0.01 -0.52 0.46 0.22 -0.37 0.00 0.00 177.43 177.21 3fl9 h TYR 48 N -1.25 0.17 0.00 0.67 3.20 -0.74 0.24 116.97 119.27 3fl9 h TYR 48 Ca -0.11 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.66 3fl9 h TYR 48 Cb 0.81 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 3fl9 h TYR 48 CO -0.00 0.06 -0.51 0.93 -1.64 0.00 0.00 178.16 177.01 3fl9 h GLU 49 N 0.14 0.00 0.16 1.82 5.08 -1.03 0.10 114.58 120.86 3fl9 h GLU 49 Ca 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 3fl9 h GLU 49 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3fl9 h GLU 49 CO -0.04 0.51 -0.08 0.00 -1.00 0.00 0.00 179.01 178.39 3fl9 h ALA 50 N 1.49 -0.22 -0.60 3.43 0.00 0.24 -3.19 119.26 120.41 3fl9 h ALA 50 Ca -0.01 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.84 3fl9 h ALA 50 Cb 1.16 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 3fl9 h ALA 50 CO 0.07 -0.44 -0.11 0.82 0.00 0.00 0.00 179.25 179.59 3fl9 h ILE 51 N -0.58 0.43 0.00 0.00 5.03 -0.76 -3.47 117.51 118.16 3fl9 h ILE 51 Ca -0.02 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 3fl9 h ILE 51 Cb 0.44 0.40 0.00 0.00 -3.03 0.00 0.00 36.82 34.63 3fl9 h ILE 51 CO 0.04 0.01 0.00 0.61 -0.68 0.00 0.00 178.15 178.12 3fl9 n GLY 52 N -1.40 2.88 3.31 5.37 0.00 0.34 -5.02 105.19 110.67 3fl9 n GLY 52 Ca 0.07 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 3fl9 n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fl9 s ARG 53 N 0.00 1.00 -0.10 1.61 1.70 -1.26 -4.97 118.95 116.93 3fl9 s ARG 53 Ca 0.00 -0.62 -0.29 0.00 -0.47 0.00 0.00 55.73 54.35 3fl9 s ARG 53 Cb 0.00 0.44 -0.07 0.00 -0.57 0.00 0.00 34.95 34.75 3fl9 s ARG 53 CO 0.00 -0.37 2.10 -2.14 -1.08 0.00 0.00 175.30 173.81 3fl9 s PRO 54 N -3.37 3.59 -0.27 3.89 0.02 -1.26 -4.95 135.00 132.65 3fl9 s PRO 54 Ca 0.00 2.29 -0.29 0.00 0.02 0.00 0.00 61.00 63.02 3fl9 s PRO 54 Cb 0.01 -4.28 -0.02 0.00 0.02 0.00 0.00 34.50 30.24 3fl9 s PRO 54 CO -0.09 -1.59 1.61 -0.51 -0.33 0.00 0.00 177.00 176.10 3fl9 s LEU 55 N 6.57 3.79 0.85 -5.54 1.43 -1.26 -5.00 118.68 119.51 3fl9 s LEU 55 Ca 0.95 1.46 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 3fl9 s LEU 55 Cb -0.37 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.42 3fl9 s LEU 55 CO 0.38 -1.35 1.09 -2.84 0.23 0.00 0.00 176.35 173.86 3fl9 s PRO 56 N 4.86 1.58 0.00 1.29 0.02 -1.26 -4.13 135.00 137.36 3fl9 s PRO 56 Ca 0.71 1.02 0.00 0.00 0.02 0.00 0.00 61.00 62.75 3fl9 s PRO 56 Cb -0.23 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.46 3fl9 s PRO 56 CO 0.30 -2.07 0.00 0.41 -0.33 0.00 0.00 177.00 175.31 3fl9 n GLY 57 N -1.00 0.84 3.37 0.52 0.00 -1.26 -5.00 105.19 102.66 3fl9 n GLY 57 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 3fl9 n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fl9 s ARG 58 N -0.53 0.97 -0.20 1.61 0.52 -1.26 -2.87 118.95 117.19 3fl9 s ARG 58 Ca 0.00 -0.23 -0.29 0.00 -0.52 0.00 0.00 55.73 54.69 3fl9 s ARG 58 Cb 0.00 0.44 -0.03 0.00 0.52 0.00 0.00 34.95 35.88 3fl9 s ARG 58 CO 0.00 -0.34 1.75 1.03 0.02 0.00 0.00 175.30 177.76 3fl9 s ARG 59 N -2.26 3.70 -0.96 3.54 0.52 -1.26 -4.84 118.95 117.39 3fl9 s ARG 59 Ca -0.06 1.78 -0.20 0.00 -0.52 0.00 0.00 55.73 56.73 3fl9 s ARG 59 Cb -0.01 -4.11 0.11 0.00 0.52 0.00 0.00 34.95 31.46 3fl9 s ARG 59 CO -0.00 -1.42 1.23 -0.80 0.02 0.00 0.00 175.30 174.32 3fl9 s ASN 60 N 4.96 6.60 -0.17 0.23 0.02 -1.26 -0.00 114.94 125.31 3fl9 s ASN 60 Ca 0.78 -1.88 -0.15 0.00 -1.02 0.00 0.00 52.86 50.59 3fl9 s ASN 60 Cb -0.27 -2.45 -0.04 0.00 0.02 0.00 0.00 41.25 38.50 3fl9 s ASN 60 CO 0.32 -1.19 0.35 -0.63 0.02 0.00 0.00 177.10 175.97 3fl9 s ILE 61 N 3.36 5.25 0.09 0.60 1.01 -0.86 -1.24 121.20 129.42 3fl9 s ILE 61 Ca 0.37 0.65 0.08 0.00 0.00 0.00 0.00 60.65 61.75 3fl9 s ILE 61 Cb -0.03 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 3fl9 s ILE 61 CO -0.10 0.33 -0.16 -0.63 0.00 0.00 0.00 174.94 174.39 3fl9 s ILE 62 N 0.79 2.97 -0.05 2.92 1.01 0.37 -2.39 121.20 126.82 3fl9 s ILE 62 Ca 0.19 -1.33 0.06 0.00 0.00 0.00 0.00 60.65 59.56 3fl9 s ILE 62 Cb -0.14 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 3fl9 s ILE 62 CO 0.06 0.18 -0.22 -0.69 0.00 0.00 0.00 174.94 174.28 3fl9 s VAL 63 N -1.09 2.34 -0.27 2.92 1.01 -0.71 0.12 120.40 124.72 3fl9 s VAL 63 Ca 0.18 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 3fl9 s VAL 63 Cb -0.11 -1.87 0.14 0.00 0.00 0.00 0.00 36.38 34.55 3fl9 s VAL 63 CO 0.09 0.57 1.13 0.28 0.00 0.00 0.00 175.10 177.17 3fl9 s THR 64 N -0.36 0.00 0.12 3.92 -1.32 -0.95 -2.63 115.64 114.43 3fl9 s THR 64 Ca 0.02 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.27 3fl9 s THR 64 Cb -0.12 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.80 3fl9 s THR 64 CO 0.02 0.00 1.67 0.03 -2.21 0.00 0.00 174.62 174.13 3fl9 h ARG 65 N 3.70 -0.24 -3.57 7.08 3.08 -1.88 -3.38 114.38 119.18 3fl9 h ARG 65 Ca -0.26 0.02 -0.44 0.00 0.07 0.00 0.00 59.98 59.37 3fl9 h ARG 65 Cb 1.18 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.25 3fl9 h ARG 65 CO 0.15 -0.16 0.87 -1.71 -1.07 0.00 0.00 179.97 178.05 3fl9 n ASN 66 N -5.29 0.40 0.16 7.04 2.85 -1.26 -4.78 115.26 114.38 3fl9 n ASN 66 Ca -0.05 0.35 0.00 0.00 -0.11 0.00 0.00 54.58 54.78 3fl9 n ASN 66 Cb 0.21 -0.56 0.25 0.00 1.24 0.00 0.00 39.78 40.92 3fl9 n ASN 66 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 3fl9 h GLU 67 N 5.96 0.00 -1.10 1.20 -0.00 -2.01 -3.21 114.58 115.41 3fl9 h GLU 67 Ca -0.05 0.00 -0.67 0.00 -0.00 0.00 0.00 59.36 58.63 3fl9 h GLU 67 Cb 0.86 0.00 -0.31 0.00 -0.00 0.00 0.00 28.75 29.31 3fl9 h GLU 67 CO 0.71 0.51 0.68 0.41 -0.00 0.00 0.00 179.01 181.33 3fl9 n GLY 68 N -0.06 5.90 3.54 1.06 0.00 -1.26 -4.92 105.19 109.45 3fl9 n GLY 68 Ca -0.01 -2.38 -0.36 0.00 0.00 0.00 0.00 46.02 43.26 3fl9 n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fl9 s TYR 69 N -3.83 3.17 0.08 1.61 5.04 -1.22 -5.09 117.35 117.12 3fl9 s TYR 69 Ca 0.62 -0.13 0.04 0.00 -2.44 0.00 0.00 57.07 55.16 3fl9 s TYR 69 Cb 0.49 -2.23 -0.03 0.00 0.35 0.00 0.00 41.96 40.53 3fl9 s TYR 69 CO -0.06 -0.16 -0.12 -1.01 -1.34 0.00 0.00 175.55 172.87 3fl9 s HIS 70 N 1.30 1.13 -0.25 4.97 3.76 -1.26 -4.91 115.29 120.04 3fl9 s HIS 70 Ca 0.06 -0.54 -0.20 0.00 -0.15 0.00 0.00 55.06 54.23 3fl9 s HIS 70 Cb -0.15 -0.63 0.07 0.00 1.11 0.00 0.00 32.58 32.99 3fl9 s HIS 70 CO 0.05 0.04 0.64 0.54 -0.85 0.00 0.00 174.74 175.15 3fl9 s VAL 71 N -1.81 -0.00 0.34 -0.90 0.11 -1.26 -5.15 120.40 111.73 3fl9 s VAL 71 Ca 0.01 0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.79 3fl9 s VAL 71 Cb -0.07 -0.90 -0.10 0.00 -1.53 0.00 0.00 36.38 33.78 3fl9 s VAL 71 CO 0.01 0.00 1.33 -0.70 -3.33 0.00 0.00 175.10 172.41 3fl9 s GLU 72 N 0.78 4.29 -1.18 1.54 2.56 -1.26 -2.68 118.70 122.75 3fl9 s GLU 72 Ca -0.04 2.25 0.00 0.00 0.00 0.00 0.00 54.97 57.18 3fl9 s GLU 72 Cb -0.05 -3.03 0.00 0.00 2.00 0.00 0.00 34.13 33.05 3fl9 s GLU 72 CO -0.06 -0.26 0.00 0.41 -0.56 0.00 0.00 175.26 174.80 3fl9 n GLY 73 N 0.75 0.14 3.12 -1.50 0.00 -1.26 -4.89 105.19 101.54 3fl9 n GLY 73 Ca 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 3fl9 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fl9 s GLU 75 N 0.08 3.73 -0.03 0.00 2.02 -0.37 -4.66 118.70 119.47 3fl9 s GLU 75 Ca -0.00 0.18 0.03 0.00 0.02 0.00 0.00 54.97 55.20 3fl9 s GLU 75 Cb -0.02 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.58 3fl9 s GLU 75 CO 0.00 0.25 -0.11 0.08 0.02 0.00 0.00 175.26 175.50 3fl9 s VAL 76 N -1.96 0.98 0.01 2.63 1.01 -1.26 -0.48 120.40 121.33 3fl9 s VAL 76 Ca 0.46 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.03 3fl9 s VAL 76 Cb -0.11 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3fl9 s VAL 76 CO 0.25 0.30 -0.18 0.00 0.00 0.00 0.00 175.10 175.47 3fl9 s ALA 77 N 0.15 1.47 -1.91 5.51 0.00 0.32 -4.89 121.76 122.41 3fl9 s ALA 77 Ca -0.03 -0.83 0.17 0.00 0.00 0.00 0.00 51.96 51.27 3fl9 s ALA 77 Cb -0.09 -0.33 0.08 0.00 0.00 0.00 0.00 23.12 22.78 3fl9 s ALA 77 CO 0.01 0.34 0.98 0.72 0.00 0.00 0.00 175.76 177.81 3fl9 n HIS 78 N 2.34 0.00 -3.98 0.00 8.25 -1.26 -2.23 115.22 118.34 3fl9 n HIS 78 Ca -0.16 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.22 3fl9 n HIS 78 Cb 0.54 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.56 3fl9 n HIS 78 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3fl9 s SER 79 N -1.64 0.30 0.20 0.41 0.01 -1.26 -4.73 113.70 106.98 3fl9 s SER 79 Ca 0.18 -0.76 -0.09 0.00 1.31 0.00 0.00 55.95 56.58 3fl9 s SER 79 Cb 0.14 0.24 0.12 0.00 0.21 0.00 0.00 66.02 66.73 3fl9 s SER 79 CO 0.30 -0.60 1.74 0.58 0.41 0.00 0.00 173.24 175.67 3fl9 h VAL 80 N 3.24 1.25 -0.20 3.43 2.07 -1.94 -2.22 116.25 121.88 3fl9 h VAL 80 Ca -0.34 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 66.40 3fl9 h VAL 80 Cb 1.17 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3fl9 h VAL 80 CO 0.58 0.33 0.14 1.05 0.02 0.00 0.00 177.57 179.70 3fl9 h GLU 81 N 1.03 0.05 0.00 1.57 4.11 -1.98 0.23 114.58 119.59 3fl9 h GLU 81 Ca 0.23 -0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.53 3fl9 h GLU 81 Cb 0.26 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3fl9 h GLU 81 CO -0.01 0.03 -0.96 1.49 0.07 0.00 0.00 179.01 179.63 3fl9 h GLU 82 N 0.05 0.00 0.07 1.06 4.81 -1.86 0.62 114.58 119.33 3fl9 h GLU 82 Ca 0.09 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3fl9 h GLU 82 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3fl9 h GLU 82 CO -0.01 0.39 -0.03 0.28 -0.73 0.00 0.00 179.01 178.91 3fl9 h VAL 83 N 0.00 1.22 -0.66 0.32 2.07 -0.63 -0.91 116.25 117.65 3fl9 h VAL 83 Ca -0.08 -1.41 0.10 0.00 0.82 0.00 0.00 66.70 66.13 3fl9 h VAL 83 Cb 1.47 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 33.28 3fl9 h VAL 83 CO 0.06 0.33 0.44 -0.26 0.02 0.00 0.00 177.57 178.15 3fl9 h PHE 84 N -0.78 0.53 0.71 1.57 0.04 -0.64 0.54 116.94 118.92 3fl9 h PHE 84 Ca -0.01 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3fl9 h PHE 84 Cb 0.61 -0.17 0.01 0.00 2.20 0.00 0.00 35.95 38.59 3fl9 h PHE 84 CO 0.13 0.25 -0.34 1.49 -0.60 0.00 0.00 178.31 179.24 3fl9 h GLU 85 N 0.50 -0.92 -0.68 1.51 4.57 -0.87 -1.05 114.58 117.64 3fl9 h GLU 85 Ca 0.30 0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.57 3fl9 h GLU 85 Cb 0.52 0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.28 3fl9 h GLU 85 CO -0.10 -0.60 0.43 -0.07 -1.18 0.00 0.00 179.01 177.50 3fl9 h LEU 86 N -1.03 0.71 -2.93 1.64 3.38 -0.03 -2.55 115.31 114.50 3fl9 h LEU 86 Ca -0.10 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3fl9 h LEU 86 Cb 0.75 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 3fl9 h LEU 86 CO 0.16 0.49 0.11 0.00 0.09 0.00 0.00 178.44 179.29 3fl9 h LYS 88 N 2.30 0.64 -0.08 0.00 3.64 -0.74 -1.07 116.57 121.26 3fl9 h LYS 88 Ca 0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3fl9 h LYS 88 Cb 1.72 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 3fl9 h LYS 88 CO 0.45 0.43 0.00 0.09 -2.27 0.00 0.00 179.45 178.14 3fl9 n ASN 89 N -4.49 2.33 -4.78 4.20 5.03 -1.26 -4.91 115.26 111.38 3fl9 n ASN 89 Ca 0.12 -1.78 -0.37 0.00 0.87 0.00 0.00 54.58 53.42 3fl9 n ASN 89 Cb 0.30 -0.04 -0.04 0.00 -1.02 0.00 0.00 39.78 38.98 3fl9 n ASN 89 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3fl9 s GLU 90 N -1.92 4.21 0.20 3.52 0.41 -0.41 -4.96 118.70 119.75 3fl9 s GLU 90 Ca 0.34 1.61 0.20 0.00 -0.41 0.00 0.00 54.97 56.70 3fl9 s GLU 90 Cb 0.20 -2.65 0.01 0.00 -1.78 0.00 0.00 34.13 29.91 3fl9 s GLU 90 CO 0.31 -0.12 1.10 1.05 -0.49 0.00 0.00 175.26 177.11 3fl9 h GLU 91 N 2.70 0.00 -1.69 1.61 4.11 -1.92 -3.40 114.58 115.99 3fl9 h GLU 91 Ca -0.48 0.00 0.04 0.00 0.07 0.00 0.00 59.36 58.99 3fl9 h GLU 91 Cb 1.22 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.23 3fl9 h GLU 91 CO 0.63 0.15 0.41 -2.00 0.07 0.00 0.00 179.01 178.27 3fl9 s GLU 92 N -3.16 0.65 0.34 1.06 2.12 -1.26 -1.97 118.70 116.48 3fl9 s GLU 92 Ca 0.00 0.45 0.05 0.00 0.36 0.00 0.00 54.97 55.83 3fl9 s GLU 92 Cb 0.08 0.31 -0.07 0.00 0.26 0.00 0.00 34.13 34.72 3fl9 s GLU 92 CO 0.78 -0.14 0.02 0.96 -0.54 0.00 0.00 175.26 176.33 3fl9 s ILE 93 N -0.40 1.54 -0.27 -3.70 -4.36 0.02 -4.27 121.20 109.76 3fl9 s ILE 93 Ca -0.01 -2.03 -0.01 0.00 -0.26 0.00 0.00 60.65 58.34 3fl9 s ILE 93 Cb -0.03 -2.77 0.08 0.00 1.25 0.00 0.00 42.46 40.99 3fl9 s ILE 93 CO -0.01 -0.07 0.06 -0.36 0.24 0.00 0.00 174.94 174.80 3fl9 s PHE 94 N -3.05 1.69 0.03 1.37 0.08 -1.08 -1.55 117.98 115.47 3fl9 s PHE 94 Ca 0.34 -1.55 -0.30 0.00 0.12 0.00 0.00 56.93 55.54 3fl9 s PHE 94 Cb 0.08 -1.55 -0.07 0.00 -0.57 0.00 0.00 43.02 40.90 3fl9 s PHE 94 CO 0.15 -0.80 1.63 0.42 -0.10 0.00 0.00 175.22 176.53 3fl9 s ILE 95 N 1.63 3.25 -0.12 0.64 -1.09 0.21 -1.02 121.20 124.70 3fl9 s ILE 95 Ca 0.05 0.60 -0.06 0.00 -2.23 0.00 0.00 60.65 59.00 3fl9 s ILE 95 Cb -0.17 -3.38 -0.05 0.00 -1.58 0.00 0.00 42.46 37.27 3fl9 s ILE 95 CO -0.18 -0.02 -0.16 0.33 -1.23 0.00 0.00 174.94 173.69 3fl9 n PHE 96 N 6.02 0.00 -3.52 3.97 7.35 0.23 0.41 117.46 131.92 3fl9 n PHE 96 Ca 0.16 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.68 3fl9 n PHE 96 Cb 0.41 -0.43 -0.06 0.00 0.35 0.00 0.00 39.48 39.76 3fl9 n PHE 96 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3fl9 s GLY 97 N -5.20 -0.55 0.00 7.13 0.00 -1.25 -4.63 107.32 102.82 3fl9 s GLY 97 Ca -0.17 1.12 0.00 0.00 0.00 0.00 0.00 44.72 45.67 3fl9 s GLY 97 CO 0.21 0.78 0.00 0.61 0.00 0.00 0.00 173.10 174.70 3fl9 n GLY 98 N 0.73 0.87 0.29 0.20 0.00 -1.26 -2.23 105.19 103.79 3fl9 n GLY 98 Ca -0.19 -1.07 0.15 0.00 0.00 0.00 0.00 46.02 44.91 3fl9 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fl9 h ALA 99 N 0.00 1.44 0.00 4.61 0.00 -1.98 -1.04 119.26 122.29 3fl9 h ALA 99 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fl9 h ALA 99 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3fl9 h ALA 99 CO 0.00 0.04 -0.84 1.96 0.00 0.00 0.00 179.25 180.41 3fl9 h GLN 100 N 0.00 0.00 -0.11 0.00 1.08 -1.93 -3.16 115.11 110.99 3fl9 h GLN 100 Ca -0.00 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 3fl9 h GLN 100 Cb 0.09 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.53 3fl9 h GLN 100 CO 0.00 0.00 -0.79 0.82 -0.95 0.00 0.00 178.83 177.91 3fl9 h ILE 101 N 0.00 1.32 -0.74 2.54 1.08 -1.47 -2.95 117.51 117.29 3fl9 h ILE 101 Ca 0.00 -2.08 0.02 0.00 -0.39 0.00 0.00 64.86 62.41 3fl9 h ILE 101 Cb 0.99 2.08 -0.04 0.00 -3.07 0.00 0.00 36.82 36.79 3fl9 h ILE 101 CO 0.00 0.64 0.48 1.88 -0.69 0.00 0.00 178.15 180.46 3fl9 h TYR 102 N 0.42 0.90 0.00 1.37 0.05 -1.49 -2.25 116.97 115.97 3fl9 h TYR 102 Ca -0.05 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 3fl9 h TYR 102 Cb 1.40 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 38.84 3fl9 h TYR 102 CO 0.07 0.55 -0.02 -0.44 -1.05 0.00 0.00 178.16 177.27 3fl9 h ASP 103 N 0.96 0.00 0.73 3.88 3.32 -1.51 0.73 116.42 124.53 3fl9 h ASP 103 Ca 0.28 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.07 3fl9 h ASP 103 Cb -0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3fl9 h ASP 103 CO -0.08 0.02 -1.23 -0.07 -1.72 0.00 0.00 179.24 176.16 3fl9 h LEU 104 N 0.00 0.23 -1.49 1.55 3.38 -1.25 -3.32 115.31 114.41 3fl9 h LEU 104 Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3fl9 h LEU 104 Cb 0.40 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3fl9 h LEU 104 CO 0.00 1.21 -0.15 0.49 0.09 0.00 0.00 178.44 180.09 3fl9 n PHE 105 N -3.41 0.00 -0.15 1.13 3.72 -0.81 -4.47 117.46 113.47 3fl9 n PHE 105 Ca -0.07 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.28 3fl9 n PHE 105 Cb 1.00 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.56 3fl9 n PHE 105 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3fl9 h LEU 106 N 3.35 -0.72 -0.35 4.37 5.85 0.34 0.29 115.31 128.44 3fl9 h LEU 106 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3fl9 h LEU 106 Cb 0.79 0.40 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3fl9 h LEU 106 CO 0.00 -0.24 0.00 -2.65 -0.34 0.00 0.00 178.44 175.21 3fl9 n PRO 107 N -5.40 0.04 -0.00 5.25 -0.02 -1.26 -2.40 135.00 131.21 3fl9 n PRO 107 Ca 0.04 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3fl9 n PRO 107 Cb 0.31 -1.62 -0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3fl9 n PRO 107 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fl9 n TYR 108 N -1.71 0.00 -1.35 6.00 4.01 -0.68 -5.08 117.16 118.36 3fl9 n TYR 108 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3fl9 n TYR 108 Cb 0.04 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.06 3fl9 n TYR 108 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 3fl9 n VAL 109 N -1.49 1.04 0.00 -0.72 3.14 0.00 -4.66 118.33 115.65 3fl9 n VAL 109 Ca -0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 3fl9 n VAL 109 Cb 0.01 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.63 3fl9 n VAL 109 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3fl9 n ASP 110 N 1.99 1.73 -4.11 6.55 8.00 0.43 -4.92 116.55 126.21 3fl9 n ASP 110 Ca 0.12 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.43 3fl9 n ASP 110 Cb 0.39 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.36 3fl9 n ASP 110 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3fl9 s LYS 111 N -1.89 0.81 -0.27 -1.24 2.20 -0.94 -3.38 119.74 115.03 3fl9 s LYS 111 Ca 0.00 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 54.91 3fl9 s LYS 111 Cb 0.00 -0.77 0.06 0.00 -1.51 0.00 0.00 37.83 35.60 3fl9 s LYS 111 CO 0.00 0.19 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.57 3fl9 s LEU 112 N -1.17 3.50 -1.08 5.43 1.43 0.10 -0.21 118.68 126.68 3fl9 s LEU 112 Ca -0.01 -1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 51.63 3fl9 s LEU 112 Cb -0.08 -1.58 0.24 0.00 0.03 0.00 0.00 46.19 44.80 3fl9 s LEU 112 CO 0.01 -0.20 1.13 -0.31 0.23 0.00 0.00 176.35 177.22 3fl9 s TYR 113 N 1.13 3.96 -0.23 0.29 1.51 0.52 -1.46 117.35 123.08 3fl9 s TYR 113 Ca -0.08 -2.39 -0.09 0.00 -1.01 0.00 0.00 57.07 53.50 3fl9 s TYR 113 Cb -0.20 -3.97 -0.04 0.00 -0.11 0.00 0.00 41.96 37.64 3fl9 s TYR 113 CO -0.04 -1.09 0.11 0.42 -1.11 0.00 0.00 175.55 173.84 3fl9 s ILE 114 N -0.20 4.91 -0.10 2.71 1.01 0.34 -1.44 121.20 128.43 3fl9 s ILE 114 Ca 0.32 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.89 3fl9 s ILE 114 Cb -0.08 -3.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 3fl9 s ILE 114 CO -0.06 0.37 0.22 -0.89 0.00 0.00 0.00 174.94 174.57 3fl9 s THR 115 N 1.08 5.37 -0.22 2.92 2.01 0.28 0.35 115.64 127.43 3fl9 s THR 115 Ca 0.06 0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.46 3fl9 s THR 115 Cb -0.14 -3.50 0.05 0.00 0.01 0.00 0.00 72.50 68.92 3fl9 s THR 115 CO 0.04 0.57 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.92 3fl9 s LYS 116 N -0.78 1.90 -0.26 4.92 1.02 -0.86 0.17 119.74 125.84 3fl9 s LYS 116 Ca 0.17 -0.95 -0.20 0.00 0.02 0.00 0.00 55.97 55.00 3fl9 s LYS 116 Cb -0.13 -2.52 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 3fl9 s LYS 116 CO 0.06 -0.50 0.64 0.42 -0.92 0.00 0.00 175.35 175.04 3fl9 s ILE 117 N 1.37 4.97 0.00 2.17 1.09 -1.07 -2.34 121.20 127.38 3fl9 s ILE 117 Ca -0.04 1.10 -0.02 0.00 -1.10 0.00 0.00 60.65 60.59 3fl9 s ILE 117 Cb -0.18 -3.96 -0.09 0.00 -1.06 0.00 0.00 42.46 37.18 3fl9 s ILE 117 CO -0.07 -0.01 1.74 1.41 -0.10 0.00 0.00 174.94 177.91 3fl9 n HIS 118 N 5.76 0.00 -4.17 3.97 8.25 0.28 -2.88 115.22 126.44 3fl9 n HIS 118 Ca -0.00 -0.69 -0.10 0.00 -0.26 0.00 0.00 57.72 56.66 3fl9 n HIS 118 Cb 0.49 -0.80 -0.10 0.00 1.12 0.00 0.00 29.99 30.70 3fl9 n HIS 118 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3fl9 s HIS 119 N 1.59 0.92 -0.37 4.41 5.04 -1.26 -4.92 115.29 120.70 3fl9 s HIS 119 Ca 0.22 -1.18 -0.03 0.00 -1.54 0.00 0.00 55.06 52.53 3fl9 s HIS 119 Cb 0.11 -0.52 0.08 0.00 0.04 0.00 0.00 32.58 32.29 3fl9 s HIS 119 CO 0.00 -0.45 0.14 0.00 -2.34 0.00 0.00 174.74 172.10 3fl9 s ALA 120 N -3.96 3.06 0.42 1.58 0.00 -1.26 -1.65 121.76 119.95 3fl9 s ALA 120 Ca 0.23 -2.21 0.06 0.00 0.00 0.00 0.00 51.96 50.04 3fl9 s ALA 120 Cb 0.07 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.91 3fl9 s ALA 120 CO 0.02 -1.59 0.58 -0.06 0.00 0.00 0.00 175.76 174.70 3fl9 s PHE 121 N 1.22 2.95 -0.32 0.00 0.40 -1.26 -5.08 117.98 115.89 3fl9 s PHE 121 Ca 0.03 -0.22 -0.22 0.00 -0.60 0.00 0.00 56.93 55.92 3fl9 s PHE 121 Cb -0.22 -2.32 -0.00 0.00 0.51 0.00 0.00 43.02 40.99 3fl9 s PHE 121 CO -0.02 -0.37 0.70 -2.00 0.70 0.00 0.00 175.22 174.23 3fl9 s GLU 122 N -4.39 3.86 -0.00 0.44 2.56 -1.26 -5.02 118.70 114.89 3fl9 s GLU 122 Ca 0.52 0.33 -0.07 0.00 0.00 0.00 0.00 54.97 55.75 3fl9 s GLU 122 Cb -0.10 -3.75 0.00 0.00 2.00 0.00 0.00 34.13 32.28 3fl9 s GLU 122 CO 0.34 -0.67 0.14 0.20 -0.56 0.00 0.00 175.26 174.71 3fl9 s GLY 123 N 1.69 0.03 -0.17 -1.50 0.00 -1.26 -4.78 107.32 101.34 3fl9 s GLY 123 Ca 0.28 -0.10 -0.24 0.00 0.00 0.00 0.00 44.72 44.66 3fl9 s GLY 123 CO 0.13 -0.23 0.49 -0.55 0.00 0.00 0.00 173.10 172.94 3fl9 h ASP 124 N 4.35 0.05 -3.98 1.64 5.19 -1.46 -3.47 116.42 118.75 3fl9 h ASP 124 Ca -0.30 -0.76 -0.47 0.00 -0.62 0.00 0.00 57.03 54.88 3fl9 h ASP 124 Cb 1.19 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 3fl9 h ASP 124 CO 0.40 1.31 0.27 0.42 -3.12 0.00 0.00 179.24 178.52 3fl9 s THR 125 N -2.32 4.56 0.22 0.35 -4.23 -1.00 -4.96 115.64 108.26 3fl9 s THR 125 Ca -0.24 1.16 -0.02 0.00 -1.18 0.00 0.00 61.69 61.41 3fl9 s THR 125 Cb 0.02 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 3fl9 s THR 125 CO 0.66 -0.45 0.21 -0.36 -0.54 0.00 0.00 174.62 174.14 3fl9 s PHE 126 N -2.32 1.06 -0.16 3.99 0.40 -1.26 -2.94 117.98 116.75 3fl9 s PHE 126 Ca 0.58 -1.28 -0.06 0.00 -0.60 0.00 0.00 56.93 55.56 3fl9 s PHE 126 Cb -0.10 -0.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.97 3fl9 s PHE 126 CO 0.23 -0.73 0.06 0.12 0.70 0.00 0.00 175.22 175.59 3fl9 s PHE 127 N -4.05 3.28 0.53 0.36 5.36 -0.28 -4.64 117.98 118.54 3fl9 s PHE 127 Ca 0.36 0.15 -0.22 0.00 -0.96 0.00 0.00 56.93 56.26 3fl9 s PHE 127 Cb 0.05 -2.01 -0.06 0.00 -0.34 0.00 0.00 43.02 40.66 3fl9 s PHE 127 CO 0.13 0.28 1.29 -2.30 -1.46 0.00 0.00 175.22 173.16 3fl9 n PRO 128 N 3.11 1.62 -2.65 10.12 -0.02 -1.26 -4.97 135.00 140.94 3fl9 n PRO 128 Ca -0.17 0.59 -0.31 0.00 -2.02 0.00 0.00 63.50 61.59 3fl9 n PRO 128 Cb 0.53 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 3fl9 n PRO 128 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3fl9 s GLU 129 N -2.75 3.86 0.01 -0.52 2.02 -1.26 -5.09 118.70 114.98 3fl9 s GLU 129 Ca 0.70 0.69 -0.01 0.00 0.02 0.00 0.00 54.97 56.38 3fl9 s GLU 129 Cb -0.43 -2.28 -0.01 0.00 0.10 0.00 0.00 34.13 31.51 3fl9 s GLU 129 CO 0.50 -0.14 -0.01 -1.64 0.02 0.00 0.00 175.26 174.00 3fl9 s MET 130 N -3.93 0.25 0.00 1.61 -1.94 -1.26 -5.20 119.30 108.82 3fl9 s MET 130 Ca 0.55 -0.44 0.00 0.00 -1.71 0.00 0.00 55.69 54.09 3fl9 s MET 130 Cb -0.10 0.09 0.00 0.00 2.01 0.00 0.00 34.83 36.83 3fl9 s MET 130 CO 0.31 -0.04 0.00 -0.40 -0.01 0.00 0.00 175.02 174.88 3fl9 n ASP 131 N 1.96 0.00 -1.32 3.03 3.85 -1.26 -4.98 116.55 117.83 3fl9 n ASP 131 Ca -0.21 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.87 3fl9 n ASP 131 Cb 0.56 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.33 3fl9 n ASP 131 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3fl9 n ASN 134 N 0.00 -4.45 -0.84 -1.12 3.02 -1.26 -5.08 115.26 105.53 3fl9 n ASN 134 Ca 0.00 0.93 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 3fl9 n ASN 134 Cb 0.00 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.76 3fl9 n ASN 134 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3fl9 n TRP 135 N -2.08 0.00 -3.70 3.10 7.02 -1.26 -5.11 117.44 115.41 3fl9 n TRP 135 Ca 0.00 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.22 3fl9 n TRP 135 Cb 0.21 0.00 -0.17 0.00 -2.42 0.00 0.00 31.31 28.93 3fl9 n TRP 135 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 3fl9 s LYS 136 N 2.41 0.45 -0.12 -0.99 0.00 -0.91 -4.72 119.74 115.86 3fl9 s LYS 136 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 55.97 55.48 3fl9 s LYS 136 Cb 0.00 -1.76 -0.01 0.00 0.00 0.00 0.00 37.83 36.06 3fl9 s LYS 136 CO 0.00 -0.57 1.00 -2.00 0.00 0.00 0.00 175.35 173.78 3fl9 s GLU 137 N 1.97 4.41 -0.08 1.78 2.12 -1.26 -0.26 118.70 127.38 3fl9 s GLU 137 Ca 0.01 1.38 0.12 0.00 0.36 0.00 0.00 54.97 56.84 3fl9 s GLU 137 Cb -0.16 -3.55 -0.17 0.00 0.26 0.00 0.00 34.13 30.51 3fl9 s GLU 137 CO -0.07 -0.34 0.14 1.55 -0.54 0.00 0.00 175.26 176.00 3fl9 n VAL 138 N 4.61 0.51 -3.95 3.70 3.14 -0.90 -4.96 118.33 120.48 3fl9 n VAL 138 Ca 0.09 -0.43 -0.09 0.00 -2.96 0.00 0.00 64.34 60.94 3fl9 n VAL 138 Cb 0.49 -0.33 -0.10 0.00 -1.06 0.00 0.00 33.84 32.83 3fl9 n VAL 138 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 3fl9 s PHE 139 N -2.54 0.23 -0.29 1.45 5.36 -1.24 -5.02 117.98 115.94 3fl9 s PHE 139 Ca -0.06 -0.52 -0.14 0.00 -0.96 0.00 0.00 56.93 55.26 3fl9 s PHE 139 Cb 0.05 -0.17 0.11 0.00 -0.34 0.00 0.00 43.02 42.67 3fl9 s PHE 139 CO 0.52 -0.30 0.70 0.54 -1.46 0.00 0.00 175.22 175.21 3fl9 s VAL 140 N -2.23 -0.42 -0.10 3.12 0.11 -1.26 -1.69 120.40 117.94 3fl9 s VAL 140 Ca -0.08 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.86 3fl9 s VAL 140 Cb -0.04 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.84 3fl9 s VAL 140 CO -0.03 0.00 0.28 -0.70 -3.33 0.00 0.00 175.10 171.32 3fl9 s GLU 141 N 2.16 0.36 0.19 1.54 2.12 -0.70 -4.98 118.70 119.39 3fl9 s GLU 141 Ca -0.08 0.34 -0.30 0.00 0.36 0.00 0.00 54.97 55.29 3fl9 s GLU 141 Cb -0.08 0.17 -0.08 0.00 0.26 0.00 0.00 34.13 34.41 3fl9 s GLU 141 CO -0.19 -0.05 1.01 0.21 -0.54 0.00 0.00 175.26 175.70 3fl9 s LYS 142 N 0.02 4.71 0.32 4.30 2.20 -1.26 0.18 119.74 130.20 3fl9 s LYS 142 Ca -0.01 1.58 -0.27 0.00 -0.36 0.00 0.00 55.97 56.91 3fl9 s LYS 142 Cb -0.02 -3.30 -0.10 0.00 -1.51 0.00 0.00 37.83 32.90 3fl9 s LYS 142 CO 0.01 0.26 0.99 0.20 -0.36 0.00 0.00 175.35 176.45 3fl9 s GLY 143 N -0.49 2.87 -0.27 5.54 0.00 0.39 -4.82 107.32 110.54 3fl9 s GLY 143 Ca 0.46 0.63 -0.28 0.00 0.00 0.00 0.00 44.72 45.52 3fl9 s GLY 143 CO 0.33 1.11 2.10 -2.27 0.00 0.00 0.00 173.10 174.36 3fl9 s LEU 144 N -1.97 3.45 -0.47 0.66 2.96 -1.26 -4.47 118.68 117.57 3fl9 s LEU 144 Ca 0.50 1.64 -0.23 0.00 -0.22 0.00 0.00 54.13 55.82 3fl9 s LEU 144 Cb -0.22 -3.45 0.03 0.00 0.50 0.00 0.00 46.19 43.05 3fl9 s LEU 144 CO 0.28 -1.94 0.79 -0.89 -1.32 0.00 0.00 176.35 173.27 3fl9 s THR 145 N 8.10 4.63 0.00 3.68 2.01 -1.26 -4.66 115.64 128.14 3fl9 s THR 145 Ca 0.94 0.30 0.00 0.00 0.31 0.00 0.00 61.69 63.24 3fl9 s THR 145 Cb -0.29 -4.35 0.00 0.00 0.01 0.00 0.00 72.50 67.87 3fl9 s THR 145 CO 0.34 -0.79 0.00 0.47 -0.69 0.00 0.00 174.62 173.95 3fl9 n ASP 146 N 6.78 0.00 -0.04 3.53 8.00 -0.99 -4.95 116.55 128.88 3fl9 n ASP 146 Ca 0.01 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.36 3fl9 n ASP 146 Cb 0.48 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.44 3fl9 n ASP 146 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3fl9 n GLU 147 N 0.00 0.70 0.00 -1.24 4.71 -1.26 -4.10 120.64 119.45 3fl9 n GLU 147 Ca 0.00 0.22 0.13 0.00 -0.01 0.00 0.00 57.16 57.50 3fl9 n GLU 147 Cb 0.00 -1.68 0.40 0.00 -1.01 0.00 0.00 31.44 29.15 3fl9 n GLU 147 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 3fl9 n LYS 148 N -3.22 0.27 -3.12 3.49 3.00 -1.26 -3.92 118.16 113.40 3fl9 n LYS 148 Ca -0.30 -0.13 -0.25 0.00 -0.00 0.00 0.00 58.31 57.62 3fl9 n LYS 148 Cb 1.05 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 34.54 3fl9 n LYS 148 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3fl9 n ASN 149 N -1.25 3.47 -2.64 3.14 3.02 -1.26 -4.31 115.26 115.42 3fl9 n ASN 149 Ca 0.09 -3.46 -0.12 0.00 -0.03 0.00 0.00 54.58 51.05 3fl9 n ASN 149 Cb 0.33 -0.60 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 3fl9 n ASN 149 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3fl9 n PRO 150 N 0.23 1.44 -3.56 3.52 -0.02 -1.25 -2.34 135.00 133.03 3fl9 n PRO 150 Ca 0.29 -0.90 -0.13 0.00 -2.02 0.00 0.00 63.50 60.73 3fl9 n PRO 150 Cb 0.44 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 3fl9 n PRO 150 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3fl9 s TYR 151 N 2.64 -0.48 -0.23 6.00 2.02 -1.26 -5.06 117.35 120.97 3fl9 s TYR 151 Ca 0.36 0.83 -0.15 0.00 -0.37 0.00 0.00 57.07 57.74 3fl9 s TYR 151 Cb 0.14 0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 42.09 3fl9 s TYR 151 CO -0.01 -0.44 0.36 -0.08 -1.57 0.00 0.00 175.55 173.81 3fl9 s THR 152 N -1.12 5.21 0.00 -0.71 -1.32 -1.26 -4.46 115.64 111.99 3fl9 s THR 152 Ca -0.05 0.60 -0.15 0.00 -1.21 0.00 0.00 61.69 60.88 3fl9 s THR 152 Cb -0.00 -3.69 0.02 0.00 -1.51 0.00 0.00 72.50 67.32 3fl9 s THR 152 CO 0.05 0.23 0.31 -0.72 -2.21 0.00 0.00 174.62 172.27 3fl9 s TYR 153 N 1.57 -0.16 0.06 9.09 -0.85 -1.26 -0.55 117.35 125.25 3fl9 s TYR 153 Ca 0.16 0.18 0.08 0.00 -0.52 0.00 0.00 57.07 56.97 3fl9 s TYR 153 Cb -0.15 0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.26 3fl9 s TYR 153 CO 0.08 -0.42 -0.22 0.71 -1.52 0.00 0.00 175.55 174.18 3fl9 s TYR 154 N -1.70 1.91 -0.07 -3.49 1.51 -0.99 0.15 117.35 114.67 3fl9 s TYR 154 Ca -0.11 -0.39 -0.26 0.00 -1.01 0.00 0.00 57.07 55.30 3fl9 s TYR 154 Cb -0.04 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.67 3fl9 s TYR 154 CO 0.02 0.14 0.83 0.71 -1.11 0.00 0.00 175.55 176.14 3fl9 s TYR 155 N -0.90 3.57 -0.13 2.71 1.51 0.47 -2.03 117.35 122.55 3fl9 s TYR 155 Ca 0.08 1.41 0.02 0.00 -1.01 0.00 0.00 57.07 57.57 3fl9 s TYR 155 Cb -0.09 -2.96 0.01 0.00 -0.11 0.00 0.00 41.96 38.81 3fl9 s TYR 155 CO 0.03 -0.02 -0.18 -1.01 -1.11 0.00 0.00 175.55 173.26 3fl9 s HIS 156 N 1.19 2.26 -0.06 2.71 3.76 0.15 -1.72 115.29 123.59 3fl9 s HIS 156 Ca 0.43 -1.13 0.01 0.00 -0.15 0.00 0.00 55.06 54.22 3fl9 s HIS 156 Cb -0.19 -1.59 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 3fl9 s HIS 156 CO 0.20 -0.56 -0.06 0.08 -0.85 0.00 0.00 174.74 173.56 3fl9 s VAL 157 N 0.99 3.79 -0.03 -0.90 1.01 -0.68 -0.50 120.40 124.08 3fl9 s VAL 157 Ca -0.05 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3fl9 s VAL 157 Cb -0.15 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.68 3fl9 s VAL 157 CO -0.03 0.56 0.05 -0.31 0.00 0.00 0.00 175.10 175.37 3fl9 s TYR 158 N -0.86 0.05 0.24 5.22 2.02 -0.53 -2.11 117.35 121.36 3fl9 s TYR 158 Ca 0.14 0.22 0.08 0.00 -0.37 0.00 0.00 57.07 57.14 3fl9 s TYR 158 Cb -0.11 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 41.02 3fl9 s TYR 158 CO 0.03 -0.16 0.07 -1.21 -1.57 0.00 0.00 175.55 172.72 3fl9 s GLU 159 N 1.80 2.57 0.34 -0.62 2.02 0.64 0.01 118.70 125.46 3fl9 s GLU 159 Ca 0.00 -1.20 -0.28 0.00 0.02 0.00 0.00 54.97 53.51 3fl9 s GLU 159 Cb -0.12 -2.37 -0.12 0.00 0.10 0.00 0.00 34.13 31.62 3fl9 s GLU 159 CO -0.03 0.40 1.41 1.17 0.02 0.00 0.00 175.26 178.24 3fl9 n LYS 160 N -0.80 2.41 -2.54 1.61 4.81 -1.22 -2.15 118.16 120.28 3fl9 n LYS 160 Ca -0.08 0.85 -0.42 0.00 -0.87 0.00 0.00 58.31 57.79 3fl9 n LYS 160 Cb 0.58 -2.52 -0.03 0.00 0.02 0.00 0.00 35.03 33.08 3fl9 n LYS 160 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 3fl9 s GLN 161 N -1.69 4.40 0.00 1.64 2.00 -1.26 -4.77 119.66 119.98 3fl9 s GLN 161 Ca 0.57 1.59 0.00 0.00 -2.00 0.00 0.00 55.36 55.51 3fl9 s GLN 161 Cb -0.53 -3.51 0.00 0.00 0.80 0.00 0.00 33.01 29.77 3fl9 s GLN 161 CO 0.60 -0.34 0.00 0.94 -0.50 0.00 0.00 175.29 175.99 3fl9 n GLN 162 N 4.82 3.11 0.00 1.67 7.27 -1.26 -5.02 117.38 127.97 3fl9 n GLN 162 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.17 3fl9 n GLN 162 Cb 0.47 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.12 3fl9 n GLN 162 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 3fl9 n LEU 163 N 0.00 0.00 -4.67 1.69 -0.00 -1.26 -5.09 117.00 107.67 3fl9 n LEU 163 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 3fl9 n LEU 163 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 3fl9 n LEU 163 CO 0.00 0.00 0.78 0.68 -0.00 0.00 0.00 177.39 178.85 3fl9 s VAL 164 N -0.73 4.78 -0.01 1.47 -7.23 -1.26 -4.98 120.40 112.43 3fl9 s VAL 164 Ca 0.00 1.90 -0.38 0.00 -1.81 0.00 0.00 61.98 61.69 3fl9 s VAL 164 Cb 0.00 -4.25 -0.17 0.00 0.56 0.00 0.00 36.38 32.52 3fl9 s VAL 164 CO 0.00 -0.06 1.42 -2.65 -0.31 0.00 0.00 175.10 173.50 3fl9 n PRO 165 N 5.60 1.06 0.00 4.82 -0.02 -1.26 -5.37 135.00 139.83 3fl9 n PRO 165 Ca 0.09 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3fl9 n PRO 165 Cb 0.48 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3fl9 n PRO 165 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37