#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 4.35 -0.43 1.12 1.01 -0.18 -4.90 121.20 122.17 3fl9 s ILE 2 Ca 0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.28 3fl9 s ILE 2 Cb 0.00 -4.62 -0.00 0.00 0.01 0.00 0.00 42.46 37.85 3fl9 s ILE 2 CO 0.00 -1.31 1.60 -0.69 0.00 0.00 0.00 174.94 174.54 3fl9 s VAL 3 N 4.02 3.67 -0.04 2.92 1.01 -1.26 -1.50 120.40 129.20 3fl9 s VAL 3 Ca 0.25 0.64 0.04 0.00 0.00 0.00 0.00 61.98 62.91 3fl9 s VAL 3 Cb -0.15 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3fl9 s VAL 3 CO 0.14 -0.72 -0.14 -0.44 0.00 0.00 0.00 175.10 173.94 3fl9 s SER 4 N 5.28 4.04 -0.17 3.32 0.01 -0.26 0.08 113.70 125.99 3fl9 s SER 4 Ca 0.67 -0.20 -0.12 0.00 1.31 0.00 0.00 55.95 57.60 3fl9 s SER 4 Cb -0.16 -0.84 -0.05 0.00 0.21 0.00 0.00 66.02 65.18 3fl9 s SER 4 CO 0.30 0.34 0.24 -0.36 0.41 0.00 0.00 173.24 174.17 3fl9 s PHE 5 N -0.75 3.44 -0.44 2.43 0.40 -0.82 0.11 117.98 122.35 3fl9 s PHE 5 Ca 0.12 0.50 0.04 0.00 -0.60 0.00 0.00 56.93 56.99 3fl9 s PHE 5 Cb -0.11 -2.28 0.12 0.00 0.51 0.00 0.00 43.02 41.26 3fl9 s PHE 5 CO 0.01 0.26 0.18 1.41 0.70 0.00 0.00 175.22 177.77 3fl9 s MET 6 N 0.43 1.79 -0.13 0.44 -2.45 -0.84 0.69 119.30 119.22 3fl9 s MET 6 Ca 0.14 -2.28 0.02 0.00 -1.25 0.00 0.00 55.69 52.31 3fl9 s MET 6 Cb -0.12 -3.29 -0.00 0.00 1.25 0.00 0.00 34.83 32.66 3fl9 s MET 6 CO 0.02 -1.04 -0.19 0.54 1.05 0.00 0.00 175.02 175.40 3fl9 s VAL 7 N 0.26 2.40 -0.34 10.11 0.11 0.14 -4.65 120.40 128.43 3fl9 s VAL 7 Ca 0.14 -0.88 -0.18 0.00 -2.93 0.00 0.00 61.98 58.13 3fl9 s VAL 7 Cb -0.23 -1.97 -0.01 0.00 -1.53 0.00 0.00 36.38 32.65 3fl9 s VAL 7 CO -0.04 0.54 0.54 0.00 -3.33 0.00 0.00 175.10 172.81 3fl9 s ALA 8 N 0.58 3.49 0.00 1.54 0.00 -1.26 -0.40 121.76 125.70 3fl9 s ALA 8 Ca -0.11 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3fl9 s ALA 8 Cb -0.16 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.93 3fl9 s ALA 8 CO 0.03 -1.17 0.00 -0.12 0.00 0.00 0.00 175.76 174.50 3fl9 n MET 9 N 5.77 3.86 -3.09 0.00 1.56 0.13 -4.43 117.12 120.91 3fl9 n MET 9 Ca -0.04 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.29 3fl9 n MET 9 Cb 0.49 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.83 3fl9 n MET 9 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 3fl9 n ASP 10 N 0.00 -0.56 -0.64 6.12 2.03 -1.16 -3.68 116.55 118.67 3fl9 n ASP 10 Ca 0.00 -2.14 0.12 0.00 0.52 0.00 0.00 54.79 53.29 3fl9 n ASP 10 Cb 0.00 1.15 0.38 0.00 -0.72 0.00 0.00 41.12 41.93 3fl9 n ASP 10 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3fl9 n GLU 11 N -0.34 1.85 0.00 -0.67 0.28 -1.01 -3.28 120.64 117.46 3fl9 n GLU 11 Ca 0.03 -1.26 0.00 0.00 -0.16 0.00 0.00 57.16 55.76 3fl9 n GLU 11 Cb 0.33 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.76 3fl9 n GLU 11 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3fl9 n ASN 12 N 0.50 0.88 0.00 -1.84 5.03 -1.26 -5.00 115.26 113.57 3fl9 n ASN 12 Ca 0.17 -1.24 0.00 0.00 0.87 0.00 0.00 54.58 54.38 3fl9 n ASN 12 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 3fl9 n ASN 12 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3fl9 n ARG 13 N -0.12 0.00 -1.70 3.52 1.74 -1.21 -4.91 116.66 113.98 3fl9 n ARG 13 Ca 0.00 0.02 -0.44 0.00 -0.77 0.00 0.00 57.85 56.66 3fl9 n ARG 13 Cb 0.18 -3.00 -0.03 0.00 -1.02 0.00 0.00 32.46 28.59 3fl9 n ARG 13 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3fl9 n VAL 14 N -2.99 0.32 -1.92 1.55 0.31 -1.26 -1.10 118.33 113.24 3fl9 n VAL 14 Ca 0.00 -0.08 0.05 0.00 -0.01 0.00 0.00 64.34 64.30 3fl9 n VAL 14 Cb 0.00 -1.76 0.12 0.00 -0.91 0.00 0.00 33.84 31.29 3fl9 n VAL 14 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3fl9 n ILE 15 N 3.16 1.25 0.00 2.52 -5.35 -0.66 -3.00 119.36 117.28 3fl9 n ILE 15 Ca 0.14 -2.18 0.00 0.00 -0.27 0.00 0.00 62.75 60.44 3fl9 n ILE 15 Cb 0.33 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 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 -0.48 2.16 0.00 3.28 0.00 -1.23 -4.81 105.19 104.11 3fl9 n GLY 16 Ca 0.13 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.92 0.00 -0.20 1.61 4.81 -0.44 -2.44 118.16 119.58 3fl9 n LYS 17 Ca 0.00 0.00 0.30 0.00 -0.87 0.00 0.00 58.31 57.74 3fl9 n LYS 17 Cb 0.00 0.00 0.67 0.00 0.02 0.00 0.00 35.03 35.72 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 0.00 0.00 3.14 3.04 -1.96 -3.37 116.42 117.27 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 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3fl9 h ASP 18 CO 0.00 0.00 0.00 0.59 -2.04 0.00 0.00 179.24 177.79 3fl9 n ASN 19 N -3.74 0.00 -4.81 4.15 4.13 -1.26 -5.07 115.26 108.66 3fl9 n ASN 19 Ca 0.21 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.25 3fl9 n ASN 19 Cb 1.20 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 39.39 3fl9 n ASN 19 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3fl9 s ASN 20 N 0.00 4.88 0.16 6.41 -0.87 -1.26 -4.75 114.94 119.51 3fl9 s ASN 20 Ca 0.00 -0.77 -0.32 0.00 -1.57 0.00 0.00 52.86 50.20 3fl9 s ASN 20 Cb 0.00 -0.67 -0.10 0.00 -0.02 0.00 0.00 41.25 40.46 3fl9 s ASN 20 CO 0.00 -0.48 1.60 -0.76 -2.57 0.00 0.00 177.10 174.88 3fl9 s LEU 21 N -3.99 4.37 0.00 0.60 1.02 -1.26 -1.32 118.68 118.10 3fl9 s LEU 21 Ca 0.43 2.65 0.13 0.00 0.02 0.00 0.00 54.13 57.35 3fl9 s LEU 21 Cb -0.02 -3.59 0.63 0.00 0.02 0.00 0.00 46.19 43.23 3fl9 s LEU 21 CO 0.25 -0.85 1.33 -2.65 0.02 0.00 0.00 176.35 174.45 3fl9 n PRO 22 N 4.09 0.17 -4.40 1.29 -0.02 -1.26 -4.77 135.00 130.09 3fl9 n PRO 22 Ca 0.14 0.18 -0.20 0.00 -2.02 0.00 0.00 63.50 61.60 3fl9 n PRO 22 Cb 0.38 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.26 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 -2.60 1.81 -0.34 6.00 -2.14 -1.26 -4.98 118.94 115.42 3fl9 s TRP 23 Ca 0.12 -1.02 -0.01 0.00 2.66 0.00 0.00 56.10 57.85 3fl9 s TRP 23 Cb 0.08 -1.14 0.12 0.00 -3.10 0.00 0.00 33.47 29.43 3fl9 s TRP 23 CO 0.20 -0.10 0.16 0.50 -2.66 0.00 0.00 176.95 175.05 3fl9 s ARG 24 N -3.93 0.65 -0.41 3.25 3.52 -1.26 -5.07 118.95 115.70 3fl9 s ARG 24 Ca 0.36 -1.19 0.01 0.00 -0.13 0.00 0.00 55.73 54.79 3fl9 s ARG 24 Cb 0.08 -1.68 0.14 0.00 -1.56 0.00 0.00 34.95 31.93 3fl9 s ARG 24 CO 0.15 -1.08 0.23 -0.51 -0.81 0.00 0.00 175.30 173.27 3fl9 s LEU 25 N 1.35 2.06 0.42 -0.88 1.43 -1.26 -4.46 118.68 117.35 3fl9 s LEU 25 Ca 0.13 -2.48 0.15 0.00 -1.03 0.00 0.00 54.13 50.90 3fl9 s LEU 25 Cb -0.20 -0.80 1.03 0.00 0.03 0.00 0.00 46.19 46.26 3fl9 s LEU 25 CO -0.16 -0.28 1.93 -0.65 0.23 0.00 0.00 176.35 177.41 3fl9 h PRO 26 N 6.81 0.42 -0.23 1.29 0.11 -1.98 -2.05 132.00 136.36 3fl9 h PRO 26 Ca 0.02 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 3fl9 h PRO 26 Cb 0.94 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3fl9 h PRO 26 CO 0.40 0.28 -0.34 1.03 -0.21 0.00 0.00 178.00 179.16 3fl9 h SER 27 N 0.43 0.50 -0.26 -2.05 0.87 -1.92 -1.99 113.55 109.14 3fl9 h SER 27 Ca 0.36 -0.20 -0.16 0.00 -1.23 0.00 0.00 61.79 60.55 3fl9 h SER 27 Cb 0.78 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3fl9 h SER 27 CO -0.11 0.81 -0.48 -0.08 -0.53 0.00 0.00 176.83 176.44 3fl9 h GLU 28 N 0.41 0.78 0.00 2.24 4.22 -1.76 -2.41 114.58 118.06 3fl9 h GLU 28 Ca 0.05 -0.49 0.00 0.00 0.08 0.00 0.00 59.36 58.99 3fl9 h GLU 28 Cb 0.80 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3fl9 h GLU 28 CO 0.06 1.12 0.00 1.28 -2.18 0.00 0.00 179.01 179.29 3fl9 n LEU 29 N -4.11 0.00 -0.00 1.64 4.77 -0.92 -0.53 117.00 117.85 3fl9 n LEU 29 Ca -0.05 0.37 0.08 0.00 -0.03 0.00 0.00 56.01 56.38 3fl9 n LEU 29 Cb 0.59 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 41.19 3fl9 n LEU 29 CO 0.48 -0.11 -0.36 0.00 -1.33 0.00 0.00 177.39 176.08 3fl9 n GLN 30 N -1.37 1.08 0.07 3.23 6.02 -0.76 -2.51 117.38 123.12 3fl9 n GLN 30 Ca 0.08 -0.07 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 3fl9 n GLN 30 Cb 0.20 -1.33 -0.15 0.00 1.02 0.00 0.00 30.24 29.98 3fl9 n GLN 30 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3fl9 h TYR 31 N 0.00 0.67 -0.36 1.08 3.20 -0.89 -2.77 116.97 117.91 3fl9 h TYR 31 Ca 0.00 -0.49 0.04 0.00 3.14 0.00 0.00 58.73 61.42 3fl9 h TYR 31 Cb 0.57 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 3fl9 h TYR 31 CO 0.00 1.56 0.13 0.28 -1.64 0.00 0.00 178.16 178.49 3fl9 h VAL 32 N -0.08 0.91 -0.02 1.81 2.07 -0.97 0.35 116.25 120.32 3fl9 h VAL 32 Ca -0.28 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.16 3fl9 h VAL 32 Cb 1.94 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3fl9 h VAL 32 CO 0.16 0.05 -0.06 0.50 0.02 0.00 0.00 177.57 178.25 3fl9 h LYS 33 N 0.28 -0.09 0.75 1.57 3.64 -1.59 -1.24 116.57 119.89 3fl9 h LYS 33 Ca 0.16 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3fl9 h LYS 33 Cb 0.13 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3fl9 h LYS 33 CO -0.16 -0.06 -0.37 1.57 -2.27 0.00 0.00 179.45 178.17 3fl9 h LYS 34 N -0.09 -0.98 -0.95 1.90 2.10 -1.32 -1.59 116.57 115.64 3fl9 h LYS 34 Ca 0.03 0.07 0.19 0.00 -2.00 0.00 0.00 60.65 58.93 3fl9 h LYS 34 Cb 0.13 0.22 -0.11 0.00 -0.90 0.00 0.00 32.23 31.58 3fl9 h LYS 34 CO -0.07 -0.65 0.54 1.15 -2.00 0.00 0.00 179.45 178.42 3fl9 h THR 35 N -1.02 0.67 -0.73 0.07 2.02 -0.82 -0.62 112.91 112.50 3fl9 h THR 35 Ca -0.10 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3fl9 h THR 35 Cb 0.78 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3fl9 h THR 35 CO 0.17 0.12 0.00 1.07 0.37 0.00 0.00 175.52 177.25 3fl9 n THR 36 N -4.83 1.21 -1.99 3.16 5.66 -0.48 -4.93 114.28 112.08 3fl9 n THR 36 Ca 0.22 -1.05 -0.43 0.00 -3.05 0.00 0.00 64.05 59.75 3fl9 n THR 36 Cb 0.56 0.40 -0.03 0.00 -1.55 0.00 0.00 70.33 69.72 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 -1.22 3.96 0.00 1.09 0.00 -0.24 -2.38 119.30 120.50 3fl9 s MET 37 Ca 0.50 2.01 0.00 0.00 0.00 0.00 0.00 55.69 58.21 3fl9 s MET 37 Cb 0.28 -4.05 0.00 0.00 0.00 0.00 0.00 34.83 31.06 3fl9 s MET 37 CO 0.32 -1.12 0.00 0.41 0.00 0.00 0.00 175.02 174.63 3fl9 n GLY 38 N 4.48 0.61 3.61 2.11 0.00 -1.23 -5.06 105.19 109.71 3fl9 n GLY 38 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.35 2.89 0.30 1.61 3.76 -1.00 -4.86 115.29 115.64 3fl9 s HIS 39 Ca 0.00 -0.05 -0.30 0.00 -0.15 0.00 0.00 55.06 54.56 3fl9 s HIS 39 Cb 0.00 -1.58 -0.11 0.00 1.11 0.00 0.00 32.58 32.00 3fl9 s HIS 39 CO 0.00 0.40 1.60 -2.14 -0.85 0.00 0.00 174.74 173.75 3fl9 s PRO 40 N -1.64 4.11 -0.39 8.40 0.02 -1.26 -4.15 135.00 140.08 3fl9 s PRO 40 Ca 0.19 2.60 -0.13 0.00 0.02 0.00 0.00 61.00 63.68 3fl9 s PRO 40 Cb -0.11 -3.01 0.02 0.00 0.02 0.00 0.00 34.50 31.42 3fl9 s PRO 40 CO 0.10 -0.65 0.26 -0.51 -0.33 0.00 0.00 177.00 175.87 3fl9 s LEU 41 N -0.60 4.94 -0.33 -5.54 1.02 0.13 -1.85 118.68 116.46 3fl9 s LEU 41 Ca 0.63 -0.95 -0.15 0.00 0.02 0.00 0.00 54.13 53.68 3fl9 s LEU 41 Cb -0.48 -2.10 -0.02 0.00 0.02 0.00 0.00 46.19 43.61 3fl9 s LEU 41 CO 0.49 -0.42 0.35 -0.63 0.02 0.00 0.00 176.35 176.16 3fl9 s ILE 42 N 1.62 5.18 0.05 -0.59 -1.09 -0.39 -1.50 121.20 124.49 3fl9 s ILE 42 Ca 0.04 0.14 -0.05 0.00 -2.23 0.00 0.00 60.65 58.54 3fl9 s ILE 42 Cb -0.19 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 3fl9 s ILE 42 CO 0.08 -0.03 0.09 0.00 -1.23 0.00 0.00 174.94 173.85 3fl9 s MET 43 N 2.01 0.66 0.59 2.79 0.23 -0.71 0.16 119.30 125.03 3fl9 s MET 43 Ca 0.12 -0.93 -0.09 0.00 -1.03 0.00 0.00 55.69 53.76 3fl9 s MET 43 Cb -0.16 0.25 -0.03 0.00 -1.53 0.00 0.00 34.83 33.36 3fl9 s MET 43 CO 0.11 -0.17 0.96 0.20 -2.03 0.00 0.00 175.02 174.10 3fl9 s GLY 44 N -2.52 1.61 0.10 3.16 0.00 -0.54 0.22 107.32 109.36 3fl9 s GLY 44 Ca 0.01 -0.29 -0.26 0.00 0.00 0.00 0.00 44.72 44.18 3fl9 s GLY 44 CO -0.08 -0.03 1.67 -0.09 0.00 0.00 0.00 173.10 174.58 3fl9 h ARG 45 N -0.21 -0.34 -0.08 2.90 2.43 -1.89 0.19 114.38 117.37 3fl9 h ARG 45 Ca -0.45 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 58.76 3fl9 h ARG 45 Cb 1.21 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3fl9 h ARG 45 CO 0.62 -0.23 0.06 0.87 -1.51 0.00 0.00 179.97 179.78 3fl9 h LYS 46 N -0.35 0.03 -0.19 0.20 1.57 -1.95 0.20 116.57 116.09 3fl9 h LYS 46 Ca 0.02 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 3fl9 h LYS 46 Cb 0.35 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3fl9 h LYS 46 CO -0.08 0.02 -0.49 -0.97 -0.57 0.00 0.00 179.45 177.37 3fl9 h ASN 47 N 0.03 0.76 0.33 0.86 -0.73 -1.68 -2.05 115.58 113.10 3fl9 h ASN 47 Ca 0.04 -0.57 -0.06 0.00 1.87 0.00 0.00 56.30 57.57 3fl9 h ASN 47 Cb 0.10 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 3fl9 h ASN 47 CO -0.00 1.20 -0.30 0.22 -0.37 0.00 0.00 177.43 178.17 3fl9 h TYR 48 N 0.36 0.00 0.00 0.67 3.20 0.71 -1.76 116.97 120.15 3fl9 h TYR 48 Ca -0.01 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3fl9 h TYR 48 Cb 1.10 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 3fl9 h TYR 48 CO 0.09 0.30 -0.33 0.93 -1.64 0.00 0.00 178.16 177.52 3fl9 h GLU 49 N 0.00 0.00 -0.09 1.82 5.08 -0.62 0.17 114.58 120.95 3fl9 h GLU 49 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3fl9 h GLU 49 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3fl9 h GLU 49 CO 0.04 0.33 -0.11 0.00 -1.00 0.00 0.00 179.01 178.27 3fl9 h ALA 50 N 1.67 0.13 -0.16 3.43 0.00 -0.67 -3.17 119.26 120.50 3fl9 h ALA 50 Ca -0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 3fl9 h ALA 50 Cb 1.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3fl9 h ALA 50 CO 0.04 -0.01 -0.33 0.82 0.00 0.00 0.00 179.25 179.77 3fl9 h ILE 51 N -0.20 1.28 0.00 0.00 5.03 -1.30 -3.48 117.51 118.84 3fl9 h ILE 51 Ca 0.01 -1.37 0.00 0.00 -0.12 0.00 0.00 64.86 63.38 3fl9 h ILE 51 Cb 0.65 1.53 0.00 0.00 -3.03 0.00 0.00 36.82 35.96 3fl9 h ILE 51 CO 0.03 0.42 0.00 0.61 -0.68 0.00 0.00 178.15 178.52 3fl9 n GLY 52 N -0.30 2.35 3.39 5.37 0.00 0.60 -4.96 105.19 111.63 3fl9 n GLY 52 Ca -0.01 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 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 1.44 -0.03 1.61 1.70 -1.26 -4.80 118.95 117.61 3fl9 s ARG 53 Ca 0.00 -1.58 -0.30 0.00 -0.47 0.00 0.00 55.73 53.39 3fl9 s ARG 53 Cb 0.00 -1.47 -0.07 0.00 -0.57 0.00 0.00 34.95 32.84 3fl9 s ARG 53 CO 0.00 0.28 1.82 -2.14 -1.08 0.00 0.00 175.30 174.18 3fl9 s PRO 54 N -3.21 4.10 -0.16 3.89 0.02 -1.26 -4.93 135.00 133.45 3fl9 s PRO 54 Ca 0.22 2.35 -0.29 0.00 0.02 0.00 0.00 61.00 63.30 3fl9 s PRO 54 Cb -0.04 -4.09 -0.03 0.00 0.02 0.00 0.00 34.50 30.36 3fl9 s PRO 54 CO 0.09 -0.97 1.60 -0.51 -0.33 0.00 0.00 177.00 176.88 3fl9 s LEU 55 N 4.47 4.05 0.20 -5.54 1.43 -1.26 -4.95 118.68 117.08 3fl9 s LEU 55 Ca 0.81 1.83 -0.30 0.00 -1.03 0.00 0.00 54.13 55.44 3fl9 s LEU 55 Cb -0.37 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.24 3fl9 s LEU 55 CO 0.35 -1.11 1.13 -2.84 0.23 0.00 0.00 176.35 174.11 3fl9 s PRO 56 N 4.37 4.57 0.00 1.29 0.02 -1.26 -3.63 135.00 140.37 3fl9 s PRO 56 Ca 0.71 1.78 0.00 0.00 0.02 0.00 0.00 61.00 63.51 3fl9 s PRO 56 Cb -0.27 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.00 3fl9 s PRO 56 CO 0.28 0.06 0.00 0.41 -0.33 0.00 0.00 177.00 177.42 3fl9 n GLY 57 N 1.91 1.05 2.88 0.52 0.00 -1.26 -4.97 105.19 105.32 3fl9 n GLY 57 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.45 0.24 -0.20 1.61 0.52 -1.24 -3.48 118.95 115.96 3fl9 s ARG 58 Ca 0.00 -0.04 -0.33 0.00 -0.52 0.00 0.00 55.73 54.84 3fl9 s ARG 58 Cb 0.00 -0.29 -0.10 0.00 0.52 0.00 0.00 34.95 35.08 3fl9 s ARG 58 CO 0.00 -0.00 2.05 0.54 0.02 0.00 0.00 175.30 177.91 3fl9 n ARG 59 N 3.36 1.80 -2.88 3.54 1.74 -1.26 -4.76 116.66 118.20 3fl9 n ARG 59 Ca -0.17 0.59 -0.43 0.00 -0.77 0.00 0.00 57.85 57.06 3fl9 n ARG 59 Cb 0.56 -2.72 -0.03 0.00 -1.02 0.00 0.00 32.46 29.26 3fl9 n ARG 59 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3fl9 s ASN 60 N 5.99 6.58 -0.48 0.55 0.01 -1.26 0.22 114.94 126.56 3fl9 s ASN 60 Ca 1.00 -1.91 -0.16 0.00 -0.71 0.00 0.00 52.86 51.07 3fl9 s ASN 60 Cb -0.66 -2.42 0.07 0.00 0.41 0.00 0.00 41.25 38.64 3fl9 s ASN 60 CO 0.47 -1.14 0.45 -0.63 -1.51 0.00 0.00 177.10 174.74 3fl9 s ILE 61 N 3.04 5.15 0.24 0.60 1.01 -0.56 0.12 121.20 130.80 3fl9 s ILE 61 Ca 0.34 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 3fl9 s ILE 61 Cb -0.05 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 38.19 3fl9 s ILE 61 CO -0.08 -0.62 0.55 -0.63 0.00 0.00 0.00 174.94 174.15 3fl9 s ILE 62 N 1.88 4.96 -0.11 2.92 1.01 -0.36 -1.74 121.20 129.76 3fl9 s ILE 62 Ca 0.07 0.38 0.03 0.00 0.00 0.00 0.00 60.65 61.12 3fl9 s ILE 62 Cb -0.23 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 3fl9 s ILE 62 CO 0.08 -0.12 -0.20 -0.69 0.00 0.00 0.00 174.94 174.01 3fl9 s VAL 63 N -1.87 2.41 -0.28 2.92 1.01 0.13 -0.84 120.40 123.89 3fl9 s VAL 63 Ca 0.47 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 3fl9 s VAL 63 Cb -0.11 -1.96 0.11 0.00 0.00 0.00 0.00 36.38 34.42 3fl9 s VAL 63 CO 0.23 0.55 0.92 0.28 0.00 0.00 0.00 175.10 177.08 3fl9 s THR 64 N 0.34 0.00 0.41 3.92 -1.32 -0.65 -3.03 115.64 115.32 3fl9 s THR 64 Ca -0.16 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.46 3fl9 s THR 64 Cb -0.17 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 69.96 3fl9 s THR 64 CO 0.08 0.00 1.92 0.03 -2.21 0.00 0.00 174.62 174.44 3fl9 h ARG 65 N 4.95 0.00 -5.92 7.08 3.08 -1.87 -3.35 114.38 118.35 3fl9 h ARG 65 Ca -0.29 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.16 3fl9 h ARG 65 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 3fl9 h ARG 65 CO 0.11 0.26 1.49 -1.71 -1.07 0.00 0.00 179.97 179.06 3fl9 n ASN 66 N -4.22 2.67 0.20 7.04 5.15 -1.26 -4.79 115.26 120.04 3fl9 n ASN 66 Ca -0.02 0.20 0.14 0.00 -0.60 0.00 0.00 54.58 54.29 3fl9 n ASN 66 Cb 0.31 -1.44 0.46 0.00 -0.53 0.00 0.00 39.78 38.59 3fl9 n ASN 66 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 3fl9 h GLU 67 N 14.55 0.00 -0.54 1.20 4.11 -2.00 -2.97 114.58 128.94 3fl9 h GLU 67 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 3fl9 h GLU 67 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3fl9 h GLU 67 CO 1.01 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.50 3fl9 n GLY 68 N 0.53 2.98 3.66 1.06 0.00 -1.26 -4.93 105.19 107.23 3fl9 n GLY 68 Ca 0.03 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.88 3.38 -0.01 1.61 5.04 -1.12 -5.03 117.35 119.34 3fl9 s TYR 69 Ca 0.45 1.36 0.02 0.00 -2.44 0.00 0.00 57.07 56.46 3fl9 s TYR 69 Cb 0.30 -3.15 0.00 0.00 0.35 0.00 0.00 41.96 39.46 3fl9 s TYR 69 CO 0.21 -0.36 -0.06 -1.01 -1.34 0.00 0.00 175.55 172.99 3fl9 s HIS 70 N 2.68 0.55 -0.08 4.97 3.76 -1.26 -4.89 115.29 121.02 3fl9 s HIS 70 Ca 0.41 -0.11 -0.04 0.00 -0.15 0.00 0.00 55.06 55.18 3fl9 s HIS 70 Cb -0.16 -0.39 0.04 0.00 1.11 0.00 0.00 32.58 33.19 3fl9 s HIS 70 CO 0.10 -0.04 0.19 0.54 -0.85 0.00 0.00 174.74 174.68 3fl9 s VAL 71 N 0.04 -0.04 0.49 -0.90 0.11 -1.26 -5.14 120.40 113.70 3fl9 s VAL 71 Ca 0.00 0.16 -0.24 0.00 -2.93 0.00 0.00 61.98 58.97 3fl9 s VAL 71 Cb -0.04 -0.30 -0.07 0.00 -1.53 0.00 0.00 36.38 34.44 3fl9 s VAL 71 CO -0.00 0.07 1.39 1.21 -3.33 0.00 0.00 175.10 174.43 3fl9 n GLU 72 N 4.16 2.00 -0.84 1.54 4.07 -1.26 -2.03 120.64 128.28 3fl9 n GLU 72 Ca -0.25 0.72 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 3fl9 n GLU 72 Cb 0.52 -2.59 0.00 0.00 -0.06 0.00 0.00 31.44 29.31 3fl9 n GLU 72 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fl9 n GLY 73 N 0.67 0.46 3.37 8.31 0.00 -1.26 -4.86 105.19 111.88 3fl9 n GLY 73 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.06 3.62 -0.12 0.00 2.02 0.32 -4.69 118.70 117.79 3fl9 s GLU 75 Ca 0.13 -0.05 0.02 0.00 0.02 0.00 0.00 54.97 55.10 3fl9 s GLU 75 Cb -0.10 -2.99 0.01 0.00 0.10 0.00 0.00 34.13 31.15 3fl9 s GLU 75 CO 0.06 0.58 -0.18 0.08 0.02 0.00 0.00 175.26 175.81 3fl9 s VAL 76 N -1.44 1.76 0.10 2.63 1.01 -1.26 -1.23 120.40 121.98 3fl9 s VAL 76 Ca 0.33 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3fl9 s VAL 76 Cb -0.13 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3fl9 s VAL 76 CO 0.20 0.49 -0.18 0.00 0.00 0.00 0.00 175.10 175.61 3fl9 s ALA 77 N 0.91 1.62 0.00 5.51 0.00 -0.02 -4.96 121.76 124.82 3fl9 s ALA 77 Ca -0.07 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3fl9 s ALA 77 Cb -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.79 3fl9 s ALA 77 CO -0.02 0.27 0.04 0.72 0.00 0.00 0.00 175.76 176.77 3fl9 n HIS 78 N 1.00 0.00 -4.67 0.00 8.25 -1.26 -1.63 115.22 116.91 3fl9 n HIS 78 Ca -0.19 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.00 3fl9 n HIS 78 Cb 0.54 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.87 2.82 0.47 0.41 0.01 -1.26 -4.67 113.70 110.61 3fl9 s SER 79 Ca 0.00 -0.59 0.13 0.00 1.31 0.00 0.00 55.95 56.80 3fl9 s SER 79 Cb 0.00 -0.23 1.10 0.00 0.21 0.00 0.00 66.02 67.10 3fl9 s SER 79 CO 0.00 0.19 2.10 0.58 0.41 0.00 0.00 173.24 176.52 3fl9 h VAL 80 N 4.23 1.05 -0.42 3.43 2.07 -1.96 -1.24 116.25 123.41 3fl9 h VAL 80 Ca -0.45 -0.14 -0.14 0.00 0.82 0.00 0.00 66.70 66.78 3fl9 h VAL 80 Cb 1.16 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3fl9 h VAL 80 CO 0.43 0.06 -0.29 -0.08 0.02 0.00 0.00 177.57 177.70 3fl9 h GLU 81 N 0.18 0.92 0.00 1.57 4.81 -1.98 -1.26 114.58 118.82 3fl9 h GLU 81 Ca 0.05 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3fl9 h GLU 81 Cb 0.02 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3fl9 h GLU 81 CO -0.01 1.09 0.00 0.93 -0.73 0.00 0.00 179.01 180.29 3fl9 h GLU 82 N 0.78 0.00 0.09 1.92 5.08 -1.78 -0.32 114.58 120.35 3fl9 h GLU 82 Ca 0.09 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 3fl9 h GLU 82 Cb 0.87 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.13 3fl9 h GLU 82 CO 0.08 0.00 -0.52 0.28 -1.00 0.00 0.00 179.01 177.85 3fl9 h VAL 83 N 0.00 1.61 0.00 3.13 2.07 -0.87 -1.72 116.25 120.47 3fl9 h VAL 83 Ca 0.00 -2.45 -0.02 0.00 0.82 0.00 0.00 66.70 65.05 3fl9 h VAL 83 Cb 0.57 3.25 -0.00 0.00 -1.52 0.00 0.00 31.29 33.59 3fl9 h VAL 83 CO 0.00 0.67 -0.10 -0.26 0.02 0.00 0.00 177.57 177.90 3fl9 h PHE 84 N -0.58 0.00 0.04 1.57 0.04 -1.13 0.93 116.94 117.81 3fl9 h PHE 84 Ca -0.09 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.41 3fl9 h PHE 84 Cb 1.40 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.57 3fl9 h PHE 84 CO 0.22 0.10 -1.10 1.49 -0.60 0.00 0.00 178.31 178.43 3fl9 h GLU 85 N 0.00 0.62 -0.33 1.51 4.57 -1.06 0.21 114.58 120.10 3fl9 h GLU 85 Ca -0.00 -0.72 -0.09 0.00 -1.18 0.00 0.00 59.36 57.37 3fl9 h GLU 85 Cb 0.24 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 3fl9 h GLU 85 CO 0.01 1.31 -0.14 -0.07 -1.18 0.00 0.00 179.01 178.94 3fl9 h LEU 86 N 0.33 0.70 -2.50 1.64 3.38 -0.99 -3.13 115.31 114.74 3fl9 h LEU 86 Ca -0.14 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3fl9 h LEU 86 Cb 1.75 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.31 3fl9 h LEU 86 CO 0.21 0.94 0.00 0.00 0.09 0.00 0.00 178.44 179.68 3fl9 h LYS 88 N 2.70 0.00 -0.22 0.00 3.64 -0.51 0.69 116.57 122.86 3fl9 h LYS 88 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3fl9 h LYS 88 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3fl9 h LYS 88 CO 0.26 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.53 3fl9 n ASN 89 N -2.75 2.67 -4.71 4.20 3.02 -1.26 -4.99 115.26 111.44 3fl9 n ASN 89 Ca -0.02 -2.08 -0.37 0.00 -0.03 0.00 0.00 54.58 52.08 3fl9 n ASN 89 Cb 0.25 -0.18 -0.07 0.00 -0.61 0.00 0.00 39.78 39.16 3fl9 n ASN 89 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fl9 s GLU 90 N -1.15 4.23 0.19 3.52 0.41 0.23 -4.95 118.70 121.19 3fl9 s GLU 90 Ca 0.17 0.12 0.24 0.00 -0.41 0.00 0.00 54.97 55.09 3fl9 s GLU 90 Cb 0.10 -3.46 0.91 0.00 -1.78 0.00 0.00 34.13 29.90 3fl9 s GLU 90 CO 0.10 0.15 1.73 0.39 -0.49 0.00 0.00 175.26 177.14 3fl9 n GLU 91 N 3.85 0.18 -3.60 1.61 -0.58 -1.26 -3.90 120.64 116.94 3fl9 n GLU 91 Ca -0.11 0.30 -0.11 0.00 -0.42 0.00 0.00 57.16 56.81 3fl9 n GLU 91 Cb 0.52 -1.78 -0.06 0.00 -0.57 0.00 0.00 31.44 29.54 3fl9 n GLU 91 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3fl9 s GLU 92 N -3.18 0.65 0.20 3.49 2.12 -1.26 -1.01 118.70 119.71 3fl9 s GLU 92 Ca 0.08 0.48 0.02 0.00 0.36 0.00 0.00 54.97 55.90 3fl9 s GLU 92 Cb 0.11 0.31 -0.05 0.00 0.26 0.00 0.00 34.13 34.77 3fl9 s GLU 92 CO 0.46 -0.14 0.02 0.96 -0.54 0.00 0.00 175.26 176.03 3fl9 s ILE 93 N -0.33 0.71 -0.22 -3.70 -4.36 -0.56 -4.25 121.20 108.48 3fl9 s ILE 93 Ca -0.01 -1.99 -0.00 0.00 -0.26 0.00 0.00 60.65 58.39 3fl9 s ILE 93 Cb -0.03 -2.28 0.06 0.00 1.25 0.00 0.00 42.46 41.46 3fl9 s ILE 93 CO -0.01 -0.34 -0.03 -0.36 0.24 0.00 0.00 174.94 174.44 3fl9 s PHE 94 N -3.64 2.09 -0.22 1.37 0.08 -0.77 -1.11 117.98 115.78 3fl9 s PHE 94 Ca 0.28 -1.55 -0.29 0.00 0.12 0.00 0.00 56.93 55.49 3fl9 s PHE 94 Cb 0.06 -1.45 -0.03 0.00 -0.57 0.00 0.00 43.02 41.03 3fl9 s PHE 94 CO 0.07 -0.74 1.75 0.42 -0.10 0.00 0.00 175.22 176.62 3fl9 s ILE 95 N 1.50 3.52 -0.24 0.64 -1.09 0.31 -1.26 121.20 124.58 3fl9 s ILE 95 Ca -0.05 0.57 -0.13 0.00 -2.23 0.00 0.00 60.65 58.81 3fl9 s ILE 95 Cb -0.18 -3.56 -0.10 0.00 -1.58 0.00 0.00 42.46 37.03 3fl9 s ILE 95 CO -0.07 -0.26 -0.33 0.33 -1.23 0.00 0.00 174.94 173.38 3fl9 n PHE 96 N 9.11 0.00 -3.84 3.97 7.35 0.41 -1.99 117.46 132.47 3fl9 n PHE 96 Ca 0.21 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.78 3fl9 n PHE 96 Cb 0.45 -0.84 -0.12 0.00 0.35 0.00 0.00 39.48 39.32 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 -5.37 -0.06 0.00 7.13 0.00 -1.22 -4.80 107.32 102.99 3fl9 s GLY 97 Ca -0.34 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.63 3fl9 s GLY 97 CO 0.44 0.17 0.00 0.61 0.00 0.00 0.00 173.10 174.31 3fl9 n GLY 98 N 2.46 1.52 0.22 0.20 0.00 -1.26 -1.46 105.19 106.87 3fl9 n GLY 98 Ca -0.16 -1.03 0.16 0.00 0.00 0.00 0.00 46.02 44.98 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 1.00 0.00 4.61 0.00 -1.97 0.14 119.26 123.04 3fl9 h ALA 99 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3fl9 h ALA 99 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3fl9 h ALA 99 CO 0.00 0.00 -1.78 1.04 0.00 0.00 0.00 179.25 178.51 3fl9 n GLN 100 N -2.61 0.65 0.21 0.00 1.13 -1.26 -2.90 117.38 112.60 3fl9 n GLN 100 Ca -0.01 -0.04 0.13 0.00 -1.94 0.00 0.00 57.00 55.14 3fl9 n GLN 100 Cb 0.12 -1.62 0.29 0.00 0.11 0.00 0.00 30.24 29.14 3fl9 n GLN 100 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3fl9 h ILE 101 N 0.00 0.00 0.14 5.09 1.08 -1.37 -2.62 117.51 119.83 3fl9 h ILE 101 Ca -0.11 -0.83 -0.30 0.00 -0.39 0.00 0.00 64.86 63.24 3fl9 h ILE 101 Cb 1.29 1.82 0.02 0.00 -3.07 0.00 0.00 36.82 36.88 3fl9 h ILE 101 CO 0.01 0.00 -1.27 1.88 -0.69 0.00 0.00 178.15 178.08 3fl9 h TYR 102 N 0.00 0.85 -0.35 1.37 0.05 -0.83 -3.13 116.97 114.92 3fl9 h TYR 102 Ca 0.00 -0.56 -0.05 0.00 0.05 0.00 0.00 58.73 58.16 3fl9 h TYR 102 Cb 0.87 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 3fl9 h TYR 102 CO 0.00 1.42 0.01 -0.44 -1.05 0.00 0.00 178.16 178.10 3fl9 h ASP 103 N 0.20 0.59 -0.97 3.88 3.32 -1.52 -0.73 116.42 121.19 3fl9 h ASP 103 Ca -0.18 -0.30 0.12 0.00 0.02 0.00 0.00 57.03 56.69 3fl9 h ASP 103 Cb 1.96 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 41.26 3fl9 h ASP 103 CO 0.23 0.74 0.60 -0.07 -1.72 0.00 0.00 179.24 179.03 3fl9 h LEU 104 N 0.43 0.87 -1.94 1.55 3.38 -1.56 -2.38 115.31 115.66 3fl9 h LEU 104 Ca 0.10 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3fl9 h LEU 104 Cb 0.43 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3fl9 h LEU 104 CO 0.02 0.46 0.00 0.49 0.09 0.00 0.00 178.44 179.50 3fl9 n PHE 105 N -4.65 0.06 -0.25 1.13 3.72 -1.18 -4.38 117.46 111.92 3fl9 n PHE 105 Ca 0.18 -0.03 0.17 0.00 -0.05 0.00 0.00 57.45 57.71 3fl9 n PHE 105 Cb 0.35 -0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.35 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 4.43 0.49 -1.60 4.37 5.85 -0.57 -1.45 115.31 126.82 3fl9 h LEU 106 Ca 0.00 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3fl9 h LEU 106 Cb 0.95 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3fl9 h LEU 106 CO 0.00 0.22 -0.15 -0.65 -0.34 0.00 0.00 178.44 177.52 3fl9 h PRO 107 N 0.50 0.07 -0.07 5.25 0.11 -1.76 -3.25 132.00 132.84 3fl9 h PRO 107 Ca 0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.56 3fl9 h PRO 107 Cb 1.01 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3fl9 h PRO 107 CO -0.20 0.22 0.00 0.66 -0.21 0.00 0.00 178.00 178.47 3fl9 n TYR 108 N -4.33 0.08 -1.89 0.65 4.01 -0.60 -5.02 117.16 110.06 3fl9 n TYR 108 Ca -0.02 -0.09 -0.42 0.00 -0.16 0.00 0.00 57.90 57.22 3fl9 n TYR 108 Cb 0.24 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.24 3fl9 n TYR 108 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3fl9 s VAL 109 N -0.94 2.40 -0.13 -0.72 0.11 -0.86 -4.48 120.40 115.77 3fl9 s VAL 109 Ca 0.15 0.32 0.04 0.00 -2.93 0.00 0.00 61.98 59.56 3fl9 s VAL 109 Cb 0.10 -3.20 -0.10 0.00 -1.53 0.00 0.00 36.38 31.64 3fl9 s VAL 109 CO 0.14 0.04 -0.07 0.47 -3.33 0.00 0.00 175.10 172.36 3fl9 n ASP 110 N 2.84 2.73 -4.12 3.54 8.00 0.11 -4.95 116.55 124.69 3fl9 n ASP 110 Ca 0.10 -0.05 -0.09 0.00 0.71 0.00 0.00 54.79 55.46 3fl9 n ASP 110 Cb 0.38 0.13 -0.10 0.00 -0.02 0.00 0.00 41.12 41.51 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 -2.27 0.76 -0.23 -1.24 2.20 -1.12 -2.47 119.74 115.38 3fl9 s LYS 111 Ca -0.14 -1.32 -0.03 0.00 -0.36 0.00 0.00 55.97 54.12 3fl9 s LYS 111 Cb 0.04 0.17 0.07 0.00 -1.51 0.00 0.00 37.83 36.61 3fl9 s LYS 111 CO 0.36 -0.16 0.07 -0.51 -0.36 0.00 0.00 175.35 174.74 3fl9 s LEU 112 N -2.99 1.22 -0.84 5.43 1.43 0.40 -1.94 118.68 121.38 3fl9 s LEU 112 Ca 0.14 -1.02 -0.16 0.00 -1.03 0.00 0.00 54.13 52.06 3fl9 s LEU 112 Cb 0.08 -0.58 0.17 0.00 0.03 0.00 0.00 46.19 45.88 3fl9 s LEU 112 CO -0.05 -0.35 0.91 -0.31 0.23 0.00 0.00 176.35 176.78 3fl9 s TYR 113 N 1.87 3.42 -0.20 0.29 1.51 0.22 -1.17 117.35 123.28 3fl9 s TYR 113 Ca 0.03 -1.63 -0.05 0.00 -1.01 0.00 0.00 57.07 54.40 3fl9 s TYR 113 Cb -0.17 -4.03 -0.02 0.00 -0.11 0.00 0.00 41.96 37.63 3fl9 s TYR 113 CO -0.15 -1.23 -0.01 0.42 -1.11 0.00 0.00 175.55 173.47 3fl9 s ILE 114 N 1.47 3.87 -0.20 2.71 1.01 -0.05 -0.68 121.20 129.32 3fl9 s ILE 114 Ca 0.23 -0.34 -0.16 0.00 0.00 0.00 0.00 60.65 60.38 3fl9 s ILE 114 Cb -0.10 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 3fl9 s ILE 114 CO -0.08 0.42 0.42 -0.89 0.00 0.00 0.00 174.94 174.82 3fl9 s THR 115 N 1.09 5.18 -0.41 2.92 2.01 0.46 -0.83 115.64 126.06 3fl9 s THR 115 Ca 0.02 0.76 -0.07 0.00 0.31 0.00 0.00 61.69 62.71 3fl9 s THR 115 Cb -0.14 -3.75 0.08 0.00 0.01 0.00 0.00 72.50 68.70 3fl9 s THR 115 CO 0.01 0.23 0.23 -0.54 -0.69 0.00 0.00 174.62 173.86 3fl9 s LYS 116 N 1.41 2.47 -0.11 4.92 1.02 -0.62 0.17 119.74 129.00 3fl9 s LYS 116 Ca 0.20 -1.52 -0.30 0.00 0.02 0.00 0.00 55.97 54.38 3fl9 s LYS 116 Cb -0.15 -3.69 -0.01 0.00 -0.52 0.00 0.00 37.83 33.46 3fl9 s LYS 116 CO 0.08 -0.95 1.03 0.42 -0.92 0.00 0.00 175.35 175.01 3fl9 s ILE 117 N 1.35 4.71 -0.03 2.17 1.09 -1.24 -2.46 121.20 126.79 3fl9 s ILE 117 Ca 0.03 1.99 -0.00 0.00 -1.10 0.00 0.00 60.65 61.57 3fl9 s ILE 117 Cb -0.23 -4.28 0.03 0.00 -1.06 0.00 0.00 42.46 36.92 3fl9 s ILE 117 CO 0.00 -0.01 1.69 1.41 -0.10 0.00 0.00 174.94 177.94 3fl9 n HIS 118 N 5.09 0.18 -4.48 3.97 8.25 -0.63 -2.42 115.22 125.18 3fl9 n HIS 118 Ca 0.09 -0.94 -0.23 0.00 -0.26 0.00 0.00 57.72 56.38 3fl9 n HIS 118 Cb 0.48 -0.47 -0.10 0.00 1.12 0.00 0.00 29.99 31.02 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 -0.20 2.13 -0.39 4.41 5.04 -1.26 -4.94 115.29 120.08 3fl9 s HIS 119 Ca 0.03 -0.68 -0.02 0.00 -1.54 0.00 0.00 55.06 52.86 3fl9 s HIS 119 Cb 0.03 -1.27 0.10 0.00 0.04 0.00 0.00 32.58 31.48 3fl9 s HIS 119 CO 0.00 0.34 0.16 0.00 -2.34 0.00 0.00 174.74 172.90 3fl9 s ALA 120 N -2.91 3.09 -0.04 1.58 0.00 -1.26 -2.84 121.76 119.37 3fl9 s ALA 120 Ca 0.32 -2.42 -0.07 0.00 0.00 0.00 0.00 51.96 49.78 3fl9 s ALA 120 Cb 0.05 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 3fl9 s ALA 120 CO 0.14 -1.71 0.22 -0.06 0.00 0.00 0.00 175.76 174.35 3fl9 s PHE 121 N 1.14 3.60 -0.03 0.00 0.40 -1.26 -5.05 117.98 116.77 3fl9 s PHE 121 Ca 0.07 0.56 -0.30 0.00 -0.60 0.00 0.00 56.93 56.66 3fl9 s PHE 121 Cb -0.22 -1.97 -0.05 0.00 0.51 0.00 0.00 43.02 41.28 3fl9 s PHE 121 CO -0.04 0.67 1.49 -1.83 0.70 0.00 0.00 175.22 176.21 3fl9 s GLU 122 N -1.46 4.23 0.21 0.44 4.04 -1.26 -4.92 118.70 119.98 3fl9 s GLU 122 Ca 0.23 2.04 -0.18 0.00 0.04 0.00 0.00 54.97 57.10 3fl9 s GLU 122 Cb -0.13 -3.72 0.02 0.00 0.02 0.00 0.00 34.13 30.32 3fl9 s GLU 122 CO 0.12 -0.69 0.55 0.20 -1.84 0.00 0.00 175.26 173.59 3fl9 s GLY 123 N 2.40 -0.04 -0.10 -3.83 0.00 -1.26 -4.74 107.32 99.75 3fl9 s GLY 123 Ca 0.67 -0.28 0.09 0.00 0.00 0.00 0.00 44.72 45.20 3fl9 s GLY 123 CO 0.27 -0.26 0.03 2.09 0.00 0.00 0.00 173.10 175.22 3fl9 n ASP 124 N -0.36 2.51 -4.79 1.64 5.68 -1.02 -4.93 116.55 115.28 3fl9 n ASP 124 Ca -0.09 -0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.82 3fl9 n ASP 124 Cb 0.62 0.73 -0.06 0.00 -1.14 0.00 0.00 41.12 41.27 3fl9 n ASP 124 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3fl9 s THR 125 N -2.25 4.79 0.14 2.12 -4.23 -1.05 -5.01 115.64 110.14 3fl9 s THR 125 Ca -0.05 1.27 0.02 0.00 -1.18 0.00 0.00 61.69 61.75 3fl9 s THR 125 Cb 0.03 -3.93 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 3fl9 s THR 125 CO 0.41 0.49 -0.04 -0.36 -0.54 0.00 0.00 174.62 174.58 3fl9 s PHE 126 N -0.69 1.12 -0.15 3.99 0.40 -1.26 -1.65 117.98 119.73 3fl9 s PHE 126 Ca 0.30 -0.92 -0.12 0.00 -0.60 0.00 0.00 56.93 55.60 3fl9 s PHE 126 Cb -0.19 -0.62 -0.05 0.00 0.51 0.00 0.00 43.02 42.67 3fl9 s PHE 126 CO 0.19 -0.12 0.23 0.12 0.70 0.00 0.00 175.22 176.33 3fl9 s PHE 127 N -3.57 3.49 0.22 0.36 5.36 -0.26 -4.56 117.98 119.02 3fl9 s PHE 127 Ca 0.18 0.54 -0.31 0.00 -0.96 0.00 0.00 56.93 56.37 3fl9 s PHE 127 Cb 0.05 -2.21 -0.14 0.00 -0.34 0.00 0.00 43.02 40.38 3fl9 s PHE 127 CO 0.00 0.38 1.26 -2.30 -1.46 0.00 0.00 175.22 173.10 3fl9 n PRO 128 N 3.13 1.62 -1.76 10.12 -0.02 -1.26 -4.97 135.00 141.86 3fl9 n PRO 128 Ca -0.15 0.57 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 3fl9 n PRO 128 Cb 0.52 -2.13 0.04 0.00 -0.02 0.00 0.00 33.50 31.91 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 -0.57 3.02 0.00 -0.52 2.02 -1.26 -5.04 118.70 116.34 3fl9 s GLU 129 Ca 0.69 1.13 0.00 0.00 0.02 0.00 0.00 54.97 56.80 3fl9 s GLU 129 Cb -0.73 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 31.50 3fl9 s GLU 129 CO 0.52 -1.04 0.00 -1.33 0.02 0.00 0.00 175.26 173.43 3fl9 n MET 130 N -2.62 0.00 0.00 1.61 2.81 -1.26 -5.20 117.12 112.45 3fl9 n MET 130 Ca 0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 3fl9 n MET 130 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 3fl9 n MET 130 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3fl9 n ASP 131 N 0.00 0.00 -0.17 7.83 8.00 -1.26 -5.13 116.55 125.82 3fl9 n ASP 131 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 3fl9 n ASP 131 Cb 0.00 0.00 0.43 0.00 -0.02 0.00 0.00 41.12 41.53 3fl9 n ASP 131 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3fl9 n ASN 134 N 0.00 0.77 0.00 -2.24 4.13 -1.26 -4.93 115.26 111.73 3fl9 n ASN 134 Ca 0.00 -0.67 0.00 0.00 1.68 0.00 0.00 54.58 55.59 3fl9 n ASN 134 Cb 0.00 0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 3fl9 n ASN 134 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 3fl9 n TRP 135 N -0.87 0.00 0.00 3.10 7.02 -1.26 -5.01 117.44 120.42 3fl9 n TRP 135 Ca 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.60 3fl9 n TRP 135 Cb 0.33 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.22 3fl9 n TRP 135 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 3fl9 n LYS 136 N 10.75 0.00 -3.46 -0.99 4.81 -1.20 -3.34 118.16 124.73 3fl9 n LYS 136 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 3fl9 n LYS 136 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 3fl9 n LYS 136 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3fl9 s GLU 137 N 0.00 3.83 0.00 1.64 2.12 -1.26 -0.25 118.70 124.78 3fl9 s GLU 137 Ca 0.00 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.62 3fl9 s GLU 137 Cb 0.00 -2.85 0.00 0.00 0.26 0.00 0.00 34.13 31.54 3fl9 s GLU 137 CO 0.00 0.45 0.00 1.55 -0.54 0.00 0.00 175.26 176.72 3fl9 n VAL 138 N 0.48 0.00 -3.65 3.70 3.14 -0.66 -4.85 118.33 116.49 3fl9 n VAL 138 Ca -0.04 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.28 3fl9 n VAL 138 Cb 0.52 0.18 -0.07 0.00 -1.06 0.00 0.00 33.84 33.41 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 -0.98 -1.06 -0.01 1.45 5.36 -1.24 -5.02 117.98 116.48 3fl9 s PHE 139 Ca 0.00 2.07 0.04 0.00 -0.96 0.00 0.00 56.93 58.08 3fl9 s PHE 139 Cb 0.00 0.62 -0.01 0.00 -0.34 0.00 0.00 43.02 43.29 3fl9 s PHE 139 CO 0.00 -0.53 -0.12 0.54 -1.46 0.00 0.00 175.22 173.65 3fl9 s VAL 140 N 1.82 0.96 -0.21 3.12 0.11 -1.26 -2.12 120.40 122.82 3fl9 s VAL 140 Ca -0.09 -0.51 -0.10 0.00 -2.93 0.00 0.00 61.98 58.35 3fl9 s VAL 140 Cb -0.06 -0.81 0.08 0.00 -1.53 0.00 0.00 36.38 34.05 3fl9 s VAL 140 CO -0.19 0.28 0.48 -0.70 -3.33 0.00 0.00 175.10 171.64 3fl9 s GLU 141 N -0.20 0.44 0.54 1.54 2.12 -1.11 -5.01 118.70 117.02 3fl9 s GLU 141 Ca 0.03 1.00 -0.22 0.00 0.36 0.00 0.00 54.97 56.15 3fl9 s GLU 141 Cb -0.06 0.19 -0.06 0.00 0.26 0.00 0.00 34.13 34.47 3fl9 s GLU 141 CO -0.00 -0.19 1.23 1.17 -0.54 0.00 0.00 175.26 176.93 3fl9 n LYS 142 N 4.72 1.50 -3.59 4.30 4.81 -1.26 -0.98 118.16 127.65 3fl9 n LYS 142 Ca -0.17 0.55 -0.32 0.00 -0.87 0.00 0.00 58.31 57.50 3fl9 n LYS 142 Cb 0.54 -2.42 -0.05 0.00 0.02 0.00 0.00 35.03 33.12 3fl9 n LYS 142 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3fl9 s GLY 143 N -0.94 2.27 -0.21 3.14 0.00 0.42 -4.79 107.32 107.21 3fl9 s GLY 143 Ca 0.71 -0.45 -0.29 0.00 0.00 0.00 0.00 44.72 44.69 3fl9 s GLY 143 CO 0.50 -0.33 1.79 -2.27 0.00 0.00 0.00 173.10 172.80 3fl9 s LEU 144 N -2.52 3.80 -0.30 0.66 2.96 -1.26 -4.51 118.68 117.51 3fl9 s LEU 144 Ca 0.41 1.72 -0.20 0.00 -0.22 0.00 0.00 54.13 55.84 3fl9 s LEU 144 Cb -0.12 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 3fl9 s LEU 144 CO 0.22 -1.45 0.61 -0.89 -1.32 0.00 0.00 176.35 173.52 3fl9 s THR 145 N 5.98 4.96 0.00 3.68 2.01 -1.26 -4.80 115.64 126.21 3fl9 s THR 145 Ca 0.80 0.84 0.00 0.00 0.31 0.00 0.00 61.69 63.64 3fl9 s THR 145 Cb -0.28 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.26 3fl9 s THR 145 CO 0.33 -0.10 0.00 0.47 -0.69 0.00 0.00 174.62 174.62 3fl9 n ASP 146 N 5.81 1.79 0.07 3.53 8.00 -0.91 -4.94 116.55 129.91 3fl9 n ASP 146 Ca -0.02 -0.72 -0.10 0.00 0.71 0.00 0.00 54.79 54.66 3fl9 n ASP 146 Cb 0.49 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.46 3fl9 n ASP 146 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3fl9 h GLU 147 N 0.00 0.10 -0.81 -1.24 3.07 -2.00 -3.24 114.58 110.45 3fl9 h GLU 147 Ca 0.00 -0.17 -0.19 0.00 -0.50 0.00 0.00 59.36 58.51 3fl9 h GLU 147 Cb 0.00 0.06 -0.11 0.00 -0.84 0.00 0.00 28.75 27.86 3fl9 h GLU 147 CO 0.00 1.06 0.24 1.17 -1.40 0.00 0.00 179.01 180.08 3fl9 n LYS 148 N -3.40 3.25 -2.78 2.33 3.00 -1.26 -4.22 118.16 115.08 3fl9 n LYS 148 Ca -0.04 -2.53 -0.10 0.00 -0.00 0.00 0.00 58.31 55.64 3fl9 n LYS 148 Cb 0.97 -2.06 0.08 0.00 0.00 0.00 0.00 35.03 34.02 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 -0.08 -2.00 -1.85 3.14 3.02 -1.22 -4.03 115.26 112.23 3fl9 n ASN 149 Ca 0.34 -3.62 0.00 0.00 -0.03 0.00 0.00 54.58 51.28 3fl9 n ASN 149 Cb 1.22 1.65 0.00 0.00 -0.61 0.00 0.00 39.78 42.04 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 0.34 0.16 -3.71 3.52 -0.02 -1.24 -2.13 135.00 131.91 3fl9 n PRO 150 Ca 0.08 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.46 3fl9 n PRO 150 Cb 0.70 -1.42 -0.03 0.00 -0.02 0.00 0.00 33.50 32.72 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 1.62 -0.17 -0.11 6.00 2.02 -1.26 -5.05 117.35 120.40 3fl9 s TYR 151 Ca 0.00 -0.17 -0.12 0.00 -0.37 0.00 0.00 57.07 56.42 3fl9 s TYR 151 Cb 0.00 0.43 -0.05 0.00 -0.40 0.00 0.00 41.96 41.94 3fl9 s TYR 151 CO 0.00 -0.93 0.26 -0.08 -1.57 0.00 0.00 175.55 173.23 3fl9 s THR 152 N -3.86 5.31 -0.18 -0.71 -1.32 -1.26 -4.33 115.64 109.29 3fl9 s THR 152 Ca 0.08 0.48 -0.28 0.00 -1.21 0.00 0.00 61.69 60.76 3fl9 s THR 152 Cb -0.01 -3.57 0.10 0.00 -1.51 0.00 0.00 72.50 67.51 3fl9 s THR 152 CO -0.03 0.51 0.86 -0.72 -2.21 0.00 0.00 174.62 173.03 3fl9 s TYR 153 N -0.36 -0.55 0.19 9.09 -0.85 -1.26 -1.61 117.35 122.00 3fl9 s TYR 153 Ca 0.17 1.12 0.10 0.00 -0.52 0.00 0.00 57.07 57.94 3fl9 s TYR 153 Cb -0.13 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.55 3fl9 s TYR 153 CO 0.06 -0.40 -0.16 0.71 -1.52 0.00 0.00 175.55 174.24 3fl9 s TYR 154 N -0.57 2.48 -0.08 -3.49 1.51 -1.03 0.16 117.35 116.33 3fl9 s TYR 154 Ca -0.03 -0.28 -0.11 0.00 -1.01 0.00 0.00 57.07 55.64 3fl9 s TYR 154 Cb -0.02 -1.21 -0.05 0.00 -0.11 0.00 0.00 41.96 40.57 3fl9 s TYR 154 CO 0.02 0.52 0.26 0.71 -1.11 0.00 0.00 175.55 175.95 3fl9 s TYR 155 N -1.74 3.62 -0.02 2.71 4.12 -0.16 -1.59 117.35 124.30 3fl9 s TYR 155 Ca 0.23 0.71 0.03 0.00 0.02 0.00 0.00 57.07 58.07 3fl9 s TYR 155 Cb -0.08 -2.13 -0.01 0.00 -1.52 0.00 0.00 41.96 38.22 3fl9 s TYR 155 CO 0.13 0.62 -0.12 -1.01 0.02 0.00 0.00 175.55 175.19 3fl9 s HIS 156 N -0.80 1.09 -0.03 2.71 3.76 -0.01 -2.74 115.29 119.28 3fl9 s HIS 156 Ca 0.18 -0.23 0.05 0.00 -0.15 0.00 0.00 55.06 54.91 3fl9 s HIS 156 Cb -0.14 -0.72 -0.01 0.00 1.11 0.00 0.00 32.58 32.82 3fl9 s HIS 156 CO 0.07 -0.05 -0.17 0.08 -0.85 0.00 0.00 174.74 173.82 3fl9 s VAL 157 N -0.13 1.38 -0.04 -0.90 1.01 -0.90 -0.87 120.40 119.95 3fl9 s VAL 157 Ca 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3fl9 s VAL 157 Cb -0.06 -1.17 0.03 0.00 0.00 0.00 0.00 36.38 35.18 3fl9 s VAL 157 CO -0.00 0.39 -0.01 -0.31 0.00 0.00 0.00 175.10 175.18 3fl9 s TYR 158 N -0.21 0.46 0.01 5.22 2.02 -0.32 -1.66 117.35 122.87 3fl9 s TYR 158 Ca 0.02 -0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.69 3fl9 s TYR 158 Cb -0.09 -0.53 -0.03 0.00 -0.40 0.00 0.00 41.96 40.91 3fl9 s TYR 158 CO 0.00 -0.17 -0.05 -1.21 -1.57 0.00 0.00 175.55 172.55 3fl9 s GLU 159 N 1.17 2.59 0.19 -0.62 2.02 0.65 -0.46 118.70 124.24 3fl9 s GLU 159 Ca -0.08 -0.71 -0.32 0.00 0.02 0.00 0.00 54.97 53.88 3fl9 s GLU 159 Cb -0.13 -2.54 -0.12 0.00 0.10 0.00 0.00 34.13 31.44 3fl9 s GLU 159 CO -0.02 0.60 1.74 1.17 0.02 0.00 0.00 175.26 178.77 3fl9 n LYS 160 N 1.43 2.74 -3.16 1.61 4.81 -1.03 -3.24 118.16 121.31 3fl9 n LYS 160 Ca -0.15 0.99 -0.28 0.00 -0.87 0.00 0.00 58.31 58.00 3fl9 n LYS 160 Cb 0.53 -2.84 -0.02 0.00 0.02 0.00 0.00 35.03 32.71 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 1.49 3.62 -0.01 1.64 0.74 -1.21 -4.92 119.66 121.01 3fl9 s GLN 161 Ca 0.77 0.06 0.08 0.00 0.05 0.00 0.00 55.36 56.32 3fl9 s GLN 161 Cb -0.51 -2.57 -0.02 0.00 1.10 0.00 0.00 33.01 31.01 3fl9 s GLN 161 CO 0.34 0.10 -0.26 1.14 -0.55 0.00 0.00 175.29 176.06 3fl9 s GLN 162 N -3.87 2.04 0.41 1.67 0.00 -1.26 -4.83 119.66 113.82 3fl9 s GLN 162 Ca 0.45 -0.94 0.00 0.00 -0.00 0.00 0.00 55.36 54.87 3fl9 s GLN 162 Cb -0.10 -2.00 0.00 0.00 0.00 0.00 0.00 33.01 30.90 3fl9 s GLN 162 CO 0.33 0.55 0.00 1.28 0.00 0.00 0.00 175.29 177.45 3fl9 n LEU 163 N 2.37 -1.42 -0.73 2.60 4.77 -1.26 -4.99 117.00 118.34 3fl9 n LEU 163 Ca -0.16 2.18 0.00 0.00 -0.03 0.00 0.00 56.01 58.00 3fl9 n LEU 163 Cb 0.51 -2.77 0.00 0.00 -2.33 0.00 0.00 43.42 38.84 3fl9 n LEU 163 CO 0.23 -0.12 0.00 0.52 -1.33 0.00 0.00 177.39 176.69 3fl9 n VAL 164 N -1.67 -0.44 -3.23 4.08 0.31 -1.26 -5.12 118.33 111.00 3fl9 n VAL 164 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 3fl9 n VAL 164 Cb 0.17 -1.50 -0.01 0.00 -0.91 0.00 0.00 33.84 31.59 3fl9 n VAL 164 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3fl9 s PRO 165 N -2.39 4.02 0.00 5.55 0.02 -1.26 -5.35 135.00 135.59 3fl9 s PRO 165 Ca 0.00 -2.84 0.28 0.00 0.02 0.00 0.00 61.00 58.46 3fl9 s PRO 165 Cb 0.00 -4.66 1.66 0.00 0.02 0.00 0.00 34.50 31.52 3fl9 s PRO 165 CO 0.00 -1.40 2.00 0.54 -0.33 0.00 0.00 177.00 177.82