#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fqf s LEU 2 N 0.00 2.81 0.13 -4.42 2.96 -1.26 -0.81 118.68 118.09 3fqf s LEU 2 Ca 0.00 -0.80 0.08 0.00 -0.22 0.00 0.00 54.13 53.19 3fqf s LEU 2 Cb 0.00 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 3fqf s LEU 2 CO 0.00 -0.08 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.33 3fqf s SER 3 N 1.30 2.48 0.06 3.68 0.01 0.06 -0.70 113.70 120.59 3fqf s SER 3 Ca 0.01 -0.78 -0.15 0.00 1.31 0.00 0.00 55.95 56.34 3fqf s SER 3 Cb -0.15 -0.13 -0.06 0.00 0.21 0.00 0.00 66.02 65.88 3fqf s SER 3 CO -0.07 -0.02 0.47 -0.63 0.41 0.00 0.00 173.24 173.39 3fqf s ILE 4 N -1.73 4.94 -0.17 1.44 1.01 -0.28 0.04 121.20 126.45 3fqf s ILE 4 Ca 0.11 0.85 -0.01 0.00 0.00 0.00 0.00 60.65 61.61 3fqf s ILE 4 Cb -0.07 -3.75 0.04 0.00 0.01 0.00 0.00 42.46 38.70 3fqf s ILE 4 CO 0.05 0.45 -0.05 -0.22 0.00 0.00 0.00 174.94 175.17 3fqf s LEU 5 N -1.42 1.67 0.02 2.97 2.96 -0.37 0.28 118.68 124.78 3fqf s LEU 5 Ca 0.29 -0.71 -0.17 0.00 -0.22 0.00 0.00 54.13 53.32 3fqf s LEU 5 Cb -0.16 -0.92 0.03 0.00 0.50 0.00 0.00 46.19 45.64 3fqf s LEU 5 CO 0.17 -0.20 0.37 0.54 -1.32 0.00 0.00 176.35 175.91 3fqf s VAL 6 N 1.63 0.06 -0.12 1.68 0.11 -0.55 -4.43 120.40 118.78 3fqf s VAL 6 Ca 0.00 -0.50 0.03 0.00 -2.93 0.00 0.00 61.98 58.58 3fqf s VAL 6 Cb -0.16 -0.86 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 3fqf s VAL 6 CO -0.08 -0.28 -0.22 0.00 -3.33 0.00 0.00 175.10 171.20 3fqf s ALA 7 N -2.12 2.24 0.06 1.54 0.00 -1.26 -0.72 121.76 121.50 3fqf s ALA 7 Ca -0.08 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.86 3fqf s ALA 7 Cb -0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 3fqf s ALA 7 CO -0.00 0.12 -0.06 -3.38 0.00 0.00 0.00 175.76 172.44 3fqf s HIS 8 N 0.59 0.64 0.00 0.00 -3.43 -0.40 -4.59 115.29 108.11 3fqf s HIS 8 Ca -0.12 -0.77 0.00 0.00 -0.80 0.00 0.00 55.06 53.37 3fqf s HIS 8 Cb -0.17 -0.40 0.00 0.00 -1.43 0.00 0.00 32.58 30.58 3fqf s HIS 8 CO 0.03 -0.19 0.00 -0.40 -2.00 0.00 0.00 174.74 172.18 3fqf n ASP 9 N 0.69 0.00 0.29 7.38 5.75 -0.62 -0.27 116.55 129.77 3fqf n ASP 9 Ca -0.18 -0.98 0.19 0.00 -0.01 0.00 0.00 54.79 53.81 3fqf n ASP 9 Cb 0.58 0.00 0.98 0.00 -1.03 0.00 0.00 41.12 41.65 3fqf n ASP 9 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3fqf h LEU 10 N 0.00 0.00 -3.05 -2.12 3.38 -1.08 -1.28 115.31 111.16 3fqf h LEU 10 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fqf h LEU 10 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fqf h LEU 10 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3fqf n GLN 11 N -2.92 2.57 -1.23 1.13 6.02 -1.26 -4.97 117.38 116.72 3fqf n GLN 11 Ca -0.02 -2.30 -0.08 0.00 -0.01 0.00 0.00 57.00 54.59 3fqf n GLN 11 Cb 0.13 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 3fqf n GLN 11 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3fqf n ARG 12 N -0.43 -0.72 -1.89 -1.09 1.74 -0.48 -4.92 116.66 108.85 3fqf n ARG 12 Ca 0.13 0.72 -0.42 0.00 -0.77 0.00 0.00 57.85 57.52 3fqf n ARG 12 Cb 0.58 -4.59 -0.02 0.00 -1.02 0.00 0.00 32.46 27.41 3fqf n ARG 12 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3fqf s VAL 13 N -2.20 2.38 -0.02 1.55 1.01 -1.26 -0.57 120.40 121.29 3fqf s VAL 13 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3fqf s VAL 13 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 3fqf s VAL 13 CO 0.00 0.05 0.03 2.30 0.00 0.00 0.00 175.10 177.48 3fqf n ILE 14 N 2.54 0.00 -3.42 2.22 -5.35 0.40 -1.58 119.36 114.16 3fqf n ILE 14 Ca 0.09 -0.20 -0.12 0.00 -0.27 0.00 0.00 62.75 62.24 3fqf n ILE 14 Cb 0.39 0.68 -0.02 0.00 -1.74 0.00 0.00 39.64 38.95 3fqf n ILE 14 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fqf s GLY 15 N -1.72 -0.62 -0.15 3.28 0.00 -1.14 -4.59 107.32 102.38 3fqf s GLY 15 Ca -0.00 0.52 -0.06 0.00 0.00 0.00 0.00 44.72 45.18 3fqf s GLY 15 CO 0.05 0.18 0.31 -0.12 0.00 0.00 0.00 173.10 173.52 3fqf s PHE 16 N -3.68 -0.53 -1.31 1.90 2.19 -0.43 -1.15 117.98 114.97 3fqf s PHE 16 Ca 0.01 1.13 -0.07 0.00 0.33 0.00 0.00 56.93 58.33 3fqf s PHE 16 Cb -0.01 0.09 -0.00 0.00 -1.31 0.00 0.00 43.02 41.79 3fqf s PHE 16 CO -0.12 -0.38 0.58 0.39 1.83 0.00 0.00 175.22 177.52 3fqf n GLU 17 N 5.15 -2.92 -1.21 10.12 1.02 -1.26 -1.62 120.64 129.92 3fqf n GLU 17 Ca -0.10 0.45 -0.07 0.00 -0.02 0.00 0.00 57.16 57.42 3fqf n GLU 17 Cb 0.50 -4.50 -0.03 0.00 -0.02 0.00 0.00 31.44 27.39 3fqf n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fqf n ASN 18 N -2.90 -4.86 -4.30 1.62 3.02 -1.26 -4.99 115.26 101.59 3fqf n ASN 18 Ca -0.24 0.18 -0.21 0.00 -0.03 0.00 0.00 54.58 54.28 3fqf n ASN 18 Cb 0.66 -3.01 -0.11 0.00 -0.61 0.00 0.00 39.78 36.70 3fqf n ASN 18 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3fqf s GLN 19 N -2.31 1.18 0.10 3.52 -1.52 -0.64 -4.83 119.66 115.16 3fqf s GLN 19 Ca 0.00 -1.32 -0.31 0.00 -1.95 0.00 0.00 55.36 51.78 3fqf s GLN 19 Cb 0.00 -1.22 -0.07 0.00 -0.22 0.00 0.00 33.01 31.50 3fqf s GLN 19 CO 0.00 0.25 1.37 -0.51 -0.25 0.00 0.00 175.29 176.15 3fqf s LEU 20 N -2.48 4.36 0.54 2.90 1.43 -1.26 -1.32 118.68 122.86 3fqf s LEU 20 Ca 0.12 2.26 0.35 0.00 -1.03 0.00 0.00 54.13 55.84 3fqf s LEU 20 Cb -0.06 -3.58 1.61 0.00 0.03 0.00 0.00 46.19 44.18 3fqf s LEU 20 CO 0.05 -0.64 2.05 -0.65 0.23 0.00 0.00 176.35 177.39 3fqf h PRO 21 N 6.92 0.00 -5.65 1.29 0.11 -1.88 -3.45 132.00 129.34 3fqf h PRO 21 Ca -0.42 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.14 3fqf h PRO 21 Cb 1.21 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 3fqf h PRO 21 CO 0.86 0.00 -0.66 1.67 -0.21 0.00 0.00 178.00 179.66 3fqf s TRP 22 N -3.76 2.19 -0.31 0.65 -2.14 -1.26 -5.05 118.94 109.26 3fqf s TRP 22 Ca -0.00 -0.65 0.01 0.00 2.66 0.00 0.00 56.10 58.12 3fqf s TRP 22 Cb 0.10 -1.31 0.07 0.00 -3.10 0.00 0.00 33.47 29.23 3fqf s TRP 22 CO 0.48 0.39 -0.00 -1.01 -2.66 0.00 0.00 176.95 174.14 3fqf s HIS 23 N -2.86 3.44 -0.41 1.66 3.76 -1.26 -5.05 115.29 114.57 3fqf s HIS 23 Ca 0.32 -2.39 0.03 0.00 -0.15 0.00 0.00 55.06 52.87 3fqf s HIS 23 Cb 0.05 -2.39 0.16 0.00 1.11 0.00 0.00 32.58 31.51 3fqf s HIS 23 CO 0.15 -0.89 0.31 -1.17 -0.85 0.00 0.00 174.74 172.29 3fqf s LEU 24 N 1.09 1.46 0.37 0.89 2.96 -1.26 -4.64 118.68 119.56 3fqf s LEU 24 Ca -0.01 -2.89 0.15 0.00 -0.22 0.00 0.00 54.13 51.16 3fqf s LEU 24 Cb -0.20 -0.48 1.02 0.00 0.50 0.00 0.00 46.19 47.03 3fqf s LEU 24 CO -0.05 -0.20 1.76 -0.65 -1.32 0.00 0.00 176.35 175.89 3fqf h PRO 25 N 5.95 0.45 -0.95 0.98 0.11 -1.97 -1.01 132.00 135.57 3fqf h PRO 25 Ca 0.21 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.39 3fqf h PRO 25 Cb 0.92 -0.10 -0.07 0.00 0.11 0.00 0.00 31.00 31.85 3fqf h PRO 25 CO 0.36 0.30 0.61 -0.91 -0.21 0.00 0.00 178.00 178.15 3fqf h ASN 26 N 0.47 0.88 -0.04 -2.05 2.35 -1.94 -1.29 115.58 113.96 3fqf h ASN 26 Ca 0.61 0.03 -0.20 0.00 -0.55 0.00 0.00 56.30 56.19 3fqf h ASN 26 Cb 1.39 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.61 3fqf h ASN 26 CO -0.35 0.52 -0.69 -0.78 -1.65 0.00 0.00 177.43 174.47 3fqf h ASP 27 N 0.97 0.79 -0.74 5.81 1.82 -1.62 -1.85 116.42 121.60 3fqf h ASP 27 Ca 0.44 -0.49 -0.02 0.00 -0.39 0.00 0.00 57.03 56.58 3fqf h ASP 27 Cb 0.38 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.13 3fqf h ASP 27 CO -0.20 1.26 0.41 -0.07 -1.61 0.00 0.00 179.24 179.03 3fqf h LEU 28 N 0.48 0.94 -0.47 2.28 3.38 -1.19 -0.53 115.31 120.20 3fqf h LEU 28 Ca -0.03 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3fqf h LEU 28 Cb 1.29 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3fqf h LEU 28 CO 0.14 0.76 0.17 0.11 0.09 0.00 0.00 178.44 179.70 3fqf h LYS 29 N 1.05 0.72 -0.36 1.13 1.57 -1.14 -1.55 116.57 118.00 3fqf h LYS 29 Ca 0.27 -0.14 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 3fqf h LYS 29 Cb 0.03 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.17 3fqf h LYS 29 CO -0.04 0.67 -0.01 1.25 -0.57 0.00 0.00 179.45 180.74 3fqf h HIS 30 N 0.62 -0.05 -0.40 -1.35 2.76 -0.86 0.01 115.15 115.88 3fqf h HIS 30 Ca 0.15 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 3fqf h HIS 30 Cb 0.23 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 3fqf h HIS 30 CO 0.01 -0.08 0.25 0.28 -1.30 0.00 0.00 177.93 177.09 3fqf h VAL 31 N 0.08 1.08 -0.61 5.26 2.07 -0.94 -1.43 116.25 121.75 3fqf h VAL 31 Ca 0.17 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3fqf h VAL 31 Cb 0.25 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3fqf h VAL 31 CO -0.31 0.09 0.39 0.50 0.02 0.00 0.00 177.57 178.27 3fqf h LYS 32 N 0.52 0.75 -0.49 1.57 3.64 -0.89 -1.15 116.57 120.51 3fqf h LYS 32 Ca 0.15 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 3fqf h LYS 32 Cb -0.03 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3fqf h LYS 32 CO -0.05 0.50 0.01 -0.22 -2.27 0.00 0.00 179.45 177.41 3fqf h LYS 33 N 0.77 0.87 -0.11 1.90 3.64 -0.73 -2.28 116.57 120.63 3fqf h LYS 33 Ca 0.24 -0.27 -0.23 0.00 -1.27 0.00 0.00 60.65 59.12 3fqf h LYS 33 Cb -0.02 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3fqf h LYS 33 CO -0.08 0.90 -0.84 -0.07 -2.27 0.00 0.00 179.45 177.08 3fqf h LEU 34 N 0.73 0.88 0.00 5.20 4.07 -1.06 -3.38 115.31 121.75 3fqf h LEU 34 Ca 0.14 -0.61 0.00 0.00 0.08 0.00 0.00 57.88 57.49 3fqf h LEU 34 Cb 0.50 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.98 3fqf h LEU 34 CO 0.02 1.41 -1.21 -1.54 -1.08 0.00 0.00 178.44 176.04 3fqf n SER 35 N -3.90 0.95 -4.73 -0.43 3.41 -0.45 -4.86 113.62 103.61 3fqf n SER 35 Ca -0.08 -0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 57.63 3fqf n SER 35 Cb 0.78 1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 66.05 3fqf n SER 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3fqf n THR 36 N -1.70 0.24 -1.00 6.66 -1.04 -0.86 -1.33 114.28 115.25 3fqf n THR 36 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3fqf n THR 36 Cb 0.33 -1.99 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 3fqf n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fqf n GLY 37 N 3.56 0.57 0.00 3.41 0.00 0.10 -4.99 105.19 107.84 3fqf n GLY 37 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3fqf n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fqf n HIS 38 N -2.83 0.00 -4.63 1.61 -0.00 -0.45 -4.94 115.22 103.98 3fqf n HIS 38 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.48 3fqf n HIS 38 Cb 0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.83 3fqf n HIS 38 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3fqf s THR 39 N 1.64 1.18 -0.13 1.59 2.01 -0.82 -0.99 115.64 120.11 3fqf s THR 39 Ca 0.00 -0.53 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 3fqf s THR 39 Cb 0.00 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 3fqf s THR 39 CO 0.00 0.36 0.03 -0.76 -0.69 0.00 0.00 174.62 173.55 3fqf s LEU 40 N 0.42 3.67 -0.13 4.42 1.43 -0.42 -0.33 118.68 127.74 3fqf s LEU 40 Ca -0.10 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 3fqf s LEU 40 Cb -0.14 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 3fqf s LEU 40 CO 0.03 0.27 -0.19 -0.69 0.23 0.00 0.00 176.35 176.01 3fqf s VAL 41 N -0.25 2.42 0.05 -1.59 1.01 0.01 -0.72 120.40 121.33 3fqf s VAL 41 Ca 0.07 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3fqf s VAL 41 Cb -0.12 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3fqf s VAL 41 CO 0.02 0.54 -0.05 0.00 0.00 0.00 0.00 175.10 175.61 3fqf s MET 42 N 0.60 0.55 0.78 2.72 0.23 0.04 -0.54 119.30 123.68 3fqf s MET 42 Ca -0.11 -0.95 -0.11 0.00 -1.03 0.00 0.00 55.69 53.49 3fqf s MET 42 Cb -0.16 -0.03 0.06 0.00 -1.53 0.00 0.00 34.83 33.16 3fqf s MET 42 CO 0.03 -0.03 1.08 0.20 -2.03 0.00 0.00 175.02 174.27 3fqf s GLY 43 N -2.19 1.64 0.23 3.16 0.00 0.30 -0.88 107.32 109.59 3fqf s GLY 43 Ca -0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.61 3fqf s GLY 43 CO -0.04 0.38 1.82 -0.09 0.00 0.00 0.00 173.10 175.17 3fqf h ARG 44 N -1.08 0.75 -0.59 2.90 1.12 -1.72 -1.69 114.38 114.07 3fqf h ARG 44 Ca -0.46 -0.05 -0.10 0.00 -1.11 0.00 0.00 59.98 58.26 3fqf h ARG 44 Cb 1.25 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 31.02 3fqf h ARG 44 CO 0.56 0.50 -0.04 0.87 -3.11 0.00 0.00 179.97 178.75 3fqf h LYS 45 N 0.78 1.07 -0.47 0.20 1.57 -1.92 -1.19 116.57 116.60 3fqf h LYS 45 Ca 0.35 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3fqf h LYS 45 Cb 0.24 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3fqf h LYS 45 CO -0.20 1.06 0.27 1.15 -0.57 0.00 0.00 179.45 181.16 3fqf h THR 46 N 0.96 1.16 -0.58 -0.16 2.02 -1.77 -2.21 112.91 112.33 3fqf h THR 46 Ca 0.16 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 3fqf h THR 46 Cb 0.61 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3fqf h THR 46 CO 0.04 0.17 0.28 0.15 0.37 0.00 0.00 175.52 176.52 3fqf h PHE 47 N 0.63 0.84 0.00 3.16 3.04 -1.00 -2.45 116.94 121.15 3fqf h PHE 47 Ca 0.17 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 3fqf h PHE 47 Cb 0.03 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.28 3fqf h PHE 47 CO -0.02 0.64 -0.03 0.93 -2.02 0.00 0.00 178.31 177.81 3fqf h GLU 48 N 0.79 0.00 0.00 1.11 4.39 -1.07 0.23 114.58 120.02 3fqf h GLU 48 Ca 0.20 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.84 3fqf h GLU 48 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3fqf h GLU 48 CO -0.02 0.03 -0.29 0.66 -1.16 0.00 0.00 179.01 178.23 3fqf h SER 49 N 0.00 0.00 0.14 1.42 4.64 -0.90 -3.21 113.55 115.63 3fqf h SER 49 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3fqf h SER 49 Cb 0.38 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.42 3fqf h SER 49 CO 0.00 0.29 -2.19 2.30 -0.87 0.00 0.00 176.83 176.36 3fqf n ILE 50 N -3.50 1.52 0.00 0.95 -5.35 -0.59 -4.98 119.36 107.41 3fqf n ILE 50 Ca -0.00 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 3fqf n ILE 50 Cb 0.45 -1.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.35 3fqf n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fqf n GLY 51 N 1.85 3.06 3.17 3.28 0.00 0.69 -4.94 105.19 112.30 3fqf n GLY 51 Ca -0.32 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 3fqf n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fqf s LYS 52 N -0.18 0.58 0.65 1.61 1.02 -1.26 -5.00 119.74 117.15 3fqf s LYS 52 Ca 0.00 -0.31 -0.16 0.00 0.02 0.00 0.00 55.97 55.52 3fqf s LYS 52 Cb 0.00 0.25 -0.00 0.00 -0.52 0.00 0.00 37.83 37.56 3fqf s LYS 52 CO 0.00 -0.15 1.16 -1.25 -0.92 0.00 0.00 175.35 174.19 3fqf s PRO 53 N -1.39 2.70 0.10 -1.68 0.04 -1.26 -5.00 135.00 128.50 3fqf s PRO 53 Ca -0.14 1.61 -0.28 0.00 0.04 0.00 0.00 61.00 62.23 3fqf s PRO 53 Cb -0.06 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 3fqf s PRO 53 CO 0.03 -1.37 0.88 -0.51 0.04 0.00 0.00 177.00 176.07 3fqf s LEU 54 N -4.67 4.49 0.71 -3.56 1.43 -1.26 -5.03 118.68 110.79 3fqf s LEU 54 Ca 0.72 1.67 -0.14 0.00 -1.03 0.00 0.00 54.13 55.35 3fqf s LEU 54 Cb -0.25 -3.45 0.03 0.00 0.03 0.00 0.00 46.19 42.55 3fqf s LEU 54 CO 0.39 -0.01 1.12 -2.84 0.23 0.00 0.00 176.35 175.25 3fqf s PRO 55 N -0.15 2.44 -1.24 1.29 0.02 -1.26 -4.12 135.00 131.98 3fqf s PRO 55 Ca 0.43 1.41 0.00 0.00 0.02 0.00 0.00 61.00 62.86 3fqf s PRO 55 Cb -0.22 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3fqf s PRO 55 CO 0.27 -1.53 0.00 0.09 -0.33 0.00 0.00 177.00 175.50 3fqf n ASN 56 N -2.84 -4.36 -3.63 2.53 5.03 -1.26 -4.90 115.26 105.84 3fqf n ASN 56 Ca 0.11 0.04 -0.09 0.00 0.87 0.00 0.00 54.58 55.51 3fqf n ASN 56 Cb 0.52 -3.46 -0.02 0.00 -1.02 0.00 0.00 39.78 35.80 3fqf n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fqf s ARG 57 N -4.46 1.40 0.09 3.52 1.70 -1.26 0.02 118.95 119.96 3fqf s ARG 57 Ca 0.00 -0.66 -0.30 0.00 -0.47 0.00 0.00 55.73 54.30 3fqf s ARG 57 Cb 0.00 0.55 -0.06 0.00 -0.57 0.00 0.00 34.95 34.87 3fqf s ARG 57 CO 0.00 -0.63 1.09 0.50 -1.08 0.00 0.00 175.30 175.18 3fqf s ARG 58 N -3.68 4.54 -0.30 3.89 3.52 -0.16 -4.91 118.95 121.85 3fqf s ARG 58 Ca 0.06 1.63 -0.05 0.00 -0.13 0.00 0.00 55.73 57.24 3fqf s ARG 58 Cb -0.03 -3.36 0.02 0.00 -1.56 0.00 0.00 34.95 30.03 3fqf s ARG 58 CO -0.03 -0.05 0.05 -0.80 -0.81 0.00 0.00 175.30 173.66 3fqf s ASN 59 N 0.58 5.01 -0.17 -2.12 0.01 -1.26 -1.30 114.94 115.69 3fqf s ASN 59 Ca 0.53 -0.91 -0.02 0.00 -0.71 0.00 0.00 52.86 51.75 3fqf s ASN 59 Cb -0.27 -1.82 -0.01 0.00 0.41 0.00 0.00 41.25 39.56 3fqf s ASN 59 CO 0.31 -0.22 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.89 3fqf s VAL 60 N 1.42 3.23 -0.14 1.60 1.01 0.10 -0.55 120.40 127.06 3fqf s VAL 60 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 3fqf s VAL 60 Cb -0.18 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3fqf s VAL 60 CO 0.01 0.48 -0.14 -0.69 0.00 0.00 0.00 175.10 174.77 3fqf s VAL 61 N 0.83 2.92 -0.24 2.92 1.01 -0.14 -0.78 120.40 126.92 3fqf s VAL 61 Ca -0.03 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 3fqf s VAL 61 Cb -0.15 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3fqf s VAL 61 CO 0.01 0.52 0.49 -0.22 0.00 0.00 0.00 175.10 175.89 3fqf s LEU 62 N 0.55 4.08 0.03 3.92 2.96 -0.06 -1.02 118.68 129.14 3fqf s LEU 62 Ca -0.09 0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 54.14 3fqf s LEU 62 Cb -0.16 -2.63 0.04 0.00 0.50 0.00 0.00 46.19 43.95 3fqf s LEU 62 CO 0.04 -0.23 0.47 0.28 -1.32 0.00 0.00 176.35 175.59 3fqf s THR 63 N 2.02 0.04 -1.36 3.68 -1.32 -0.80 -1.86 115.64 116.04 3fqf s THR 63 Ca 0.21 -0.33 0.28 0.00 -1.21 0.00 0.00 61.69 60.63 3fqf s THR 63 Cb -0.15 -0.92 0.29 0.00 -1.51 0.00 0.00 72.50 70.21 3fqf s THR 63 CO 0.09 -0.18 1.75 -1.54 -2.21 0.00 0.00 174.62 172.53 3fqf n SER 64 N 0.63 0.40 -4.61 8.08 3.41 -1.26 -4.22 113.62 116.05 3fqf n SER 64 Ca -0.19 -0.27 -0.43 0.00 -0.26 0.00 0.00 58.87 57.72 3fqf n SER 64 Cb 0.59 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 3fqf n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fqf s ASP 65 N -2.72 6.28 0.23 4.04 3.68 -1.26 -4.89 116.67 122.04 3fqf s ASP 65 Ca 0.21 1.02 0.24 0.00 2.13 0.00 0.00 52.55 56.16 3fqf s ASP 65 Cb 0.19 -2.54 0.92 0.00 -1.45 0.00 0.00 42.92 40.04 3fqf s ASP 65 CO 0.54 -1.44 1.73 0.35 0.13 0.00 0.00 175.17 176.48 3fqf n THR 66 N 7.01 0.73 0.43 1.71 -2.24 -1.26 -2.74 114.28 117.92 3fqf n THR 66 Ca 0.18 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 62.11 3fqf n THR 66 Cb 0.47 -0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 3fqf n THR 66 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3fqf n SER 67 N -2.20 0.55 -4.68 3.42 7.64 -1.26 -4.96 113.62 112.12 3fqf n SER 67 Ca 0.03 -0.16 -0.51 0.00 1.01 0.00 0.00 58.87 59.24 3fqf n SER 67 Cb 0.30 1.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.45 3fqf n SER 67 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3fqf n PHE 68 N -2.08 2.18 -3.66 1.43 7.35 -1.11 -4.95 117.46 116.63 3fqf n PHE 68 Ca 0.01 0.24 -0.08 0.00 -0.76 0.00 0.00 57.45 56.86 3fqf n PHE 68 Cb 0.47 -2.56 -0.09 0.00 0.35 0.00 0.00 39.48 37.65 3fqf n PHE 68 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3fqf s ASN 69 N 3.28 -0.35 -0.04 -2.13 3.84 -1.26 -4.97 114.94 113.32 3fqf s ASN 69 Ca 0.92 1.05 0.01 0.00 0.21 0.00 0.00 52.86 55.05 3fqf s ASN 69 Cb -0.83 1.41 0.02 0.00 -0.55 0.00 0.00 41.25 41.31 3fqf s ASN 69 CO 0.54 -0.23 -0.03 -0.69 -2.79 0.00 0.00 177.10 173.90 3fqf s VAL 70 N 2.58 0.40 0.12 -5.21 1.01 -1.26 -5.12 120.40 112.92 3fqf s VAL 70 Ca -0.03 -0.06 -0.35 0.00 0.00 0.00 0.00 61.98 61.55 3fqf s VAL 70 Cb -0.12 -0.44 -0.14 0.00 0.00 0.00 0.00 36.38 35.68 3fqf s VAL 70 CO -0.13 0.19 1.55 -0.62 0.00 0.00 0.00 175.10 176.08 3fqf n GLU 71 N 3.99 1.91 -0.69 2.72 -0.58 -1.26 -1.89 120.64 124.84 3fqf n GLU 71 Ca -0.25 0.69 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 3fqf n GLU 71 Cb 0.51 -2.43 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 3fqf n GLU 71 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fqf n GLY 72 N 3.29 0.77 3.21 0.62 0.00 -1.26 -4.74 105.19 107.07 3fqf n GLY 72 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3fqf n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fqf s VAL 73 N -2.84 1.86 -0.16 1.61 1.01 -0.79 -4.33 120.40 116.77 3fqf s VAL 73 Ca 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 3fqf s VAL 73 Cb 0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 3fqf s VAL 73 CO 0.00 0.52 0.17 -1.81 0.00 0.00 0.00 175.10 173.98 3fqf s ASP 74 N 0.11 6.33 -0.12 3.32 1.01 0.28 -4.65 116.67 122.95 3fqf s ASP 74 Ca -0.10 0.38 -0.06 0.00 0.71 0.00 0.00 52.55 53.48 3fqf s ASP 74 Cb -0.15 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 3fqf s ASP 74 CO 0.05 0.25 0.12 -0.69 0.21 0.00 0.00 175.17 175.11 3fqf s VAL 75 N -0.14 5.30 0.15 -1.27 1.01 -1.26 -0.96 120.40 123.22 3fqf s VAL 75 Ca 0.12 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.31 3fqf s VAL 75 Cb -0.12 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 3fqf s VAL 75 CO 0.02 0.60 -0.16 0.27 0.00 0.00 0.00 175.10 175.82 3fqf s ILE 76 N -0.85 1.64 0.00 2.22 -4.36 -0.19 -4.93 121.20 114.73 3fqf s ILE 76 Ca 0.14 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 3fqf s ILE 76 Cb -0.12 -1.76 0.00 0.00 1.25 0.00 0.00 42.46 41.83 3fqf s ILE 76 CO 0.03 -0.39 0.47 1.41 0.24 0.00 0.00 174.94 176.70 3fqf n HIS 77 N 0.29 0.00 -3.81 1.37 8.25 -1.26 -1.90 115.22 118.15 3fqf n HIS 77 Ca -0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.22 3fqf n HIS 77 Cb 0.57 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.61 3fqf n HIS 77 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3fqf s SER 78 N -0.06 -0.02 0.33 0.41 1.04 -1.26 -4.78 113.70 109.35 3fqf s SER 78 Ca 0.00 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.15 3fqf s SER 78 Cb 0.00 0.32 0.62 0.00 0.10 0.00 0.00 66.02 67.05 3fqf s SER 78 CO 0.00 -0.59 1.93 0.40 0.98 0.00 0.00 173.24 175.96 3fqf h ILE 79 N 3.34 1.04 -0.17 -1.02 2.04 -2.01 -2.22 117.51 118.51 3fqf h ILE 79 Ca -0.32 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.27 3fqf h ILE 79 Cb 1.19 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3fqf h ILE 79 CO 0.48 0.17 0.13 -0.33 0.00 0.00 0.00 178.15 178.60 3fqf h GLU 80 N 0.92 0.00 0.00 2.37 4.39 -2.03 -0.19 114.58 120.04 3fqf h GLU 80 Ca 0.36 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.04 3fqf h GLU 80 Cb 0.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3fqf h GLU 80 CO -0.13 0.00 -0.11 -0.44 -1.16 0.00 0.00 179.01 177.17 3fqf h ASP 81 N 0.00 0.00 -0.93 1.42 3.32 -1.82 -2.88 116.42 115.53 3fqf h ASP 81 Ca 0.08 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3fqf h ASP 81 Cb 0.34 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 3fqf h ASP 81 CO -0.00 0.11 0.61 0.40 -1.72 0.00 0.00 179.24 178.64 3fqf h ILE 82 N 0.00 1.21 0.00 0.35 2.04 -1.15 -2.44 117.51 117.52 3fqf h ILE 82 Ca -0.00 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3fqf h ILE 82 Cb 0.21 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 3fqf h ILE 82 CO 0.01 0.22 0.00 -1.22 0.00 0.00 0.00 178.15 177.17 3fqf n TYR 83 N -4.41 0.20 1.08 1.37 4.01 -1.09 -2.12 117.16 116.20 3fqf n TYR 83 Ca 0.11 0.08 0.12 0.00 -0.16 0.00 0.00 57.90 58.05 3fqf n TYR 83 Cb 0.04 -0.63 0.13 0.00 -0.31 0.00 0.00 39.34 38.57 3fqf n TYR 83 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3fqf n GLN 84 N -1.68 1.56 -2.51 -0.72 3.00 -0.92 -4.92 117.38 111.20 3fqf n GLN 84 Ca 0.03 -1.23 -0.42 0.00 -0.01 0.00 0.00 57.00 55.37 3fqf n GLN 84 Cb 0.17 -1.47 -0.03 0.00 0.00 0.00 0.00 30.24 28.91 3fqf n GLN 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3fqf s LEU 85 N -2.29 4.31 0.58 1.08 1.43 -0.90 -5.02 118.68 117.87 3fqf s LEU 85 Ca 0.24 1.82 -0.15 0.00 -1.03 0.00 0.00 54.13 55.00 3fqf s LEU 85 Cb 0.19 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 3fqf s LEU 85 CO 0.46 -0.50 1.04 -2.16 0.23 0.00 0.00 176.35 175.41 3fqf s PRO 86 N 1.74 3.49 1.71 1.29 0.04 -1.26 -4.94 135.00 137.08 3fqf s PRO 86 Ca 0.55 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3fqf s PRO 86 Cb -0.25 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3fqf s PRO 86 CO 0.24 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.03 3fqf n GLY 87 N -1.29 -1.50 3.64 0.56 0.00 -1.26 -4.76 105.19 100.58 3fqf n GLY 87 Ca 0.08 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 3fqf n GLY 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fqf s HIS 88 N 0.00 3.28 -0.15 1.61 5.65 -1.26 -2.93 115.29 121.49 3fqf s HIS 88 Ca 0.00 1.12 -0.01 0.00 0.25 0.00 0.00 55.06 56.42 3fqf s HIS 88 Cb 0.00 -3.16 -0.01 0.00 -1.18 0.00 0.00 32.58 28.23 3fqf s HIS 88 CO 0.00 -0.47 -0.12 0.08 -0.65 0.00 0.00 174.74 173.58 3fqf s VAL 89 N 2.97 3.05 -0.21 0.89 1.01 0.01 -1.95 120.40 126.16 3fqf s VAL 89 Ca 0.36 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 3fqf s VAL 89 Cb -0.15 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3fqf s VAL 89 CO 0.09 0.51 -0.02 -0.36 0.00 0.00 0.00 175.10 175.31 3fqf s PHE 90 N 0.63 2.99 -0.15 5.22 0.08 0.55 -0.76 117.98 126.54 3fqf s PHE 90 Ca -0.07 -0.72 -0.29 0.00 0.12 0.00 0.00 56.93 55.97 3fqf s PHE 90 Cb -0.15 -2.10 -0.02 0.00 -0.57 0.00 0.00 43.02 40.17 3fqf s PHE 90 CO 0.03 -0.42 1.29 0.42 -0.10 0.00 0.00 175.22 176.44 3fqf s ILE 91 N 1.30 4.22 -0.61 0.64 -1.09 0.11 -0.81 121.20 124.96 3fqf s ILE 91 Ca 0.04 1.48 0.07 0.00 -2.23 0.00 0.00 60.65 60.01 3fqf s ILE 91 Cb -0.14 -3.95 -0.02 0.00 -1.58 0.00 0.00 42.46 36.77 3fqf s ILE 91 CO -0.00 -0.12 0.49 0.33 -1.23 0.00 0.00 174.94 174.40 3fqf n PHE 92 N 6.57 0.00 0.00 3.97 -0.00 0.29 -1.24 117.46 127.06 3fqf n PHE 92 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 3fqf n PHE 92 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.93 3fqf n PHE 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3fqf n GLY 93 N 0.85 3.58 0.00 7.13 0.00 -1.26 -4.93 105.19 110.56 3fqf n GLY 93 Ca 0.03 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3fqf n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fqf n GLY 94 N -1.85 3.68 0.17 -0.02 0.00 -1.26 -0.53 105.19 105.37 3fqf n GLY 94 Ca 0.00 -1.69 -0.05 0.00 0.00 0.00 0.00 46.02 44.29 3fqf n GLY 94 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3fqf h GLN 95 N 0.00 0.13 -0.18 1.61 4.15 -1.96 -0.68 115.11 118.18 3fqf h GLN 95 Ca 0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 3fqf h GLN 95 Cb 0.00 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 3fqf h GLN 95 CO 0.00 0.08 0.10 1.79 -1.93 0.00 0.00 178.83 178.87 3fqf h THR 96 N 0.13 1.10 -0.61 2.39 1.35 -1.94 -0.48 112.91 114.85 3fqf h THR 96 Ca 0.19 -0.28 -0.03 0.00 -0.55 0.00 0.00 66.41 65.74 3fqf h THR 96 Cb 0.27 0.97 -0.03 0.00 -1.73 0.00 0.00 68.15 67.63 3fqf h THR 96 CO -0.31 0.10 0.26 0.25 -0.25 0.00 0.00 175.52 175.57 3fqf h LEU 97 N 0.18 0.83 -0.73 3.87 5.85 -1.78 -1.48 115.31 122.05 3fqf h LEU 97 Ca 0.06 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3fqf h LEU 97 Cb 0.07 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3fqf h LEU 97 CO -0.01 0.76 0.44 1.88 -0.34 0.00 0.00 178.44 181.18 3fqf h TYR 98 N 0.85 0.96 -0.69 1.25 0.05 -0.91 -0.29 116.97 118.19 3fqf h TYR 98 Ca 0.21 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.98 3fqf h TYR 98 Cb 0.18 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 3fqf h TYR 98 CO 0.01 0.65 0.42 0.93 -1.05 0.00 0.00 178.16 179.11 3fqf h GLU 99 N 1.00 0.93 0.00 4.88 5.08 -0.69 0.47 114.58 126.24 3fqf h GLU 99 Ca 0.26 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 3fqf h GLU 99 Cb -0.04 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 3fqf h GLU 99 CO -0.05 0.65 -0.42 0.93 -1.00 0.00 0.00 179.01 179.12 3fqf h GLU 100 N 0.95 0.00 0.00 2.33 5.08 -0.57 -3.37 114.58 119.00 3fqf h GLU 100 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3fqf h GLU 100 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3fqf h GLU 100 CO -0.05 0.42 -1.42 -1.33 -1.00 0.00 0.00 179.01 175.64 3fqf n MET 101 N -3.36 0.71 -0.27 2.33 2.81 -0.19 -4.69 117.12 114.47 3fqf n MET 101 Ca 0.01 -0.09 0.07 0.00 -1.81 0.00 0.00 57.70 55.87 3fqf n MET 101 Cb 0.61 -1.25 0.30 0.00 -0.71 0.00 0.00 33.22 32.17 3fqf n MET 101 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3fqf h ILE 102 N 0.00 0.99 0.00 2.02 2.10 -1.10 0.14 117.51 121.67 3fqf h ILE 102 Ca 0.00 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.64 3fqf h ILE 102 Cb 0.51 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.28 3fqf h ILE 102 CO 0.00 0.16 0.00 0.47 -1.08 0.00 0.00 178.15 177.70 3fqf n ASP 103 N -4.51 0.00 -0.05 2.19 10.43 -1.26 -3.88 116.55 119.46 3fqf n ASP 103 Ca 0.14 -0.00 -0.02 0.00 2.57 0.00 0.00 54.79 57.47 3fqf n ASP 103 Cb 0.28 -0.31 -0.12 0.00 1.84 0.00 0.00 41.12 42.80 3fqf n ASP 103 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3fqf n LYS 104 N -1.31 1.16 -2.44 -1.24 4.76 0.46 -5.04 118.16 114.51 3fqf n LYS 104 Ca 0.11 -0.05 -0.33 0.00 -2.87 0.00 0.00 58.31 55.17 3fqf n LYS 104 Cb 0.21 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 3fqf n LYS 104 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3fqf s VAL 105 N -2.63 4.09 0.10 -0.18 -7.23 -0.98 -4.98 120.40 108.60 3fqf s VAL 105 Ca -0.07 1.15 -0.15 0.00 -1.81 0.00 0.00 61.98 61.10 3fqf s VAL 105 Cb 0.07 -3.53 -0.08 0.00 0.56 0.00 0.00 36.38 33.40 3fqf s VAL 105 CO 0.65 -0.43 1.44 0.44 -0.31 0.00 0.00 175.10 176.89 3fqf h ASP 106 N 1.19 0.75 -5.08 4.85 3.32 -1.29 -3.46 116.42 116.70 3fqf h ASP 106 Ca -0.48 -0.45 0.02 0.00 0.02 0.00 0.00 57.03 56.13 3fqf h ASP 106 Cb 1.20 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.49 3fqf h ASP 106 CO 0.60 1.05 0.13 1.51 -1.72 0.00 0.00 179.24 180.80 3fqf s ASP 107 N -6.52 -0.15 -0.02 6.45 -4.77 -1.22 -2.41 116.67 108.02 3fqf s ASP 107 Ca -0.12 -0.78 0.01 0.00 -3.30 0.00 0.00 52.55 48.36 3fqf s ASP 107 Cb 0.09 0.70 0.02 0.00 -1.09 0.00 0.00 42.92 42.64 3fqf s ASP 107 CO 0.83 -1.32 -0.03 -0.04 0.70 0.00 0.00 175.17 175.31 3fqf s MET 108 N -3.77 0.48 -0.41 2.11 -1.94 -0.08 -1.12 119.30 114.56 3fqf s MET 108 Ca 0.15 -0.06 -0.10 0.00 -1.71 0.00 0.00 55.69 53.98 3fqf s MET 108 Cb -0.04 -0.54 0.07 0.00 2.01 0.00 0.00 34.83 36.32 3fqf s MET 108 CO 0.08 -0.04 0.25 0.71 -0.01 0.00 0.00 175.02 176.01 3fqf s TYR 109 N 0.61 3.31 -0.13 -0.03 1.51 0.14 -0.92 117.35 121.85 3fqf s TYR 109 Ca -0.07 -1.37 0.01 0.00 -1.01 0.00 0.00 57.07 54.63 3fqf s TYR 109 Cb -0.10 -2.84 -0.01 0.00 -0.11 0.00 0.00 41.96 38.90 3fqf s TYR 109 CO -0.01 -0.80 -0.16 0.42 -1.11 0.00 0.00 175.55 173.89 3fqf s ILE 110 N 1.46 2.72 -0.42 2.71 1.01 -0.07 -1.47 121.20 127.14 3fqf s ILE 110 Ca 0.03 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.74 3fqf s ILE 110 Cb -0.22 -2.12 0.02 0.00 0.01 0.00 0.00 42.46 40.14 3fqf s ILE 110 CO 0.03 0.53 0.40 -0.89 0.00 0.00 0.00 174.94 175.01 3fqf s THR 111 N 0.46 5.13 -0.30 2.92 2.01 0.11 0.26 115.64 126.23 3fqf s THR 111 Ca -0.11 -0.42 -0.25 0.00 0.31 0.00 0.00 61.69 61.22 3fqf s THR 111 Cb -0.16 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.34 3fqf s THR 111 CO 0.05 -0.39 0.85 -0.69 -0.69 0.00 0.00 174.62 173.75 3fqf s VAL 112 N 2.02 4.75 -0.31 3.82 1.01 0.52 -1.27 120.40 130.93 3fqf s VAL 112 Ca 0.10 1.32 -0.19 0.00 0.00 0.00 0.00 61.98 63.22 3fqf s VAL 112 Cb -0.18 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 3fqf s VAL 112 CO 0.13 -0.28 0.57 -0.63 0.00 0.00 0.00 175.10 174.89 3fqf s ILE 113 N 3.07 4.99 -1.29 2.22 -1.09 0.63 -1.11 121.20 128.62 3fqf s ILE 113 Ca 0.35 0.68 -0.07 0.00 -2.23 0.00 0.00 60.65 59.38 3fqf s ILE 113 Cb -0.14 -3.96 -0.01 0.00 -1.58 0.00 0.00 42.46 36.78 3fqf s ILE 113 CO 0.12 -0.13 2.76 -0.62 -1.23 0.00 0.00 174.94 175.85 3fqf n GLU 114 N 5.78 3.86 -4.09 2.79 -0.58 0.17 -2.62 120.64 125.96 3fqf n GLU 114 Ca -0.03 -2.65 -0.13 0.00 -0.42 0.00 0.00 57.16 53.94 3fqf n GLU 114 Cb 0.49 -2.62 -0.06 0.00 -0.57 0.00 0.00 31.44 28.68 3fqf n GLU 114 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3fqf s GLY 115 N 1.28 1.23 -0.30 0.62 0.00 -1.26 -4.70 107.32 104.19 3fqf s GLY 115 Ca 0.62 -1.38 0.03 0.00 0.00 0.00 0.00 44.72 43.99 3fqf s GLY 115 CO -0.08 -0.97 -0.01 0.54 0.00 0.00 0.00 173.10 172.57 3fqf s LYS 116 N -3.53 1.71 0.20 2.90 1.02 -1.26 -1.71 119.74 119.07 3fqf s LYS 116 Ca 0.30 -1.55 0.05 0.00 0.02 0.00 0.00 55.97 54.79 3fqf s LYS 116 Cb 0.01 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 3fqf s LYS 116 CO 0.16 -0.78 0.22 -0.06 -0.92 0.00 0.00 175.35 173.97 3fqf s PHE 117 N 1.07 3.25 0.08 3.18 0.08 -1.26 -5.08 117.98 119.29 3fqf s PHE 117 Ca 0.02 -0.02 -0.31 0.00 0.12 0.00 0.00 56.93 56.74 3fqf s PHE 117 Cb -0.19 -1.51 -0.07 0.00 -0.57 0.00 0.00 43.02 40.68 3fqf s PHE 117 CO -0.08 0.51 1.29 0.50 -0.10 0.00 0.00 175.22 177.34 3fqf s ARG 118 N -3.50 4.37 0.09 0.44 3.52 -1.26 -4.96 118.95 117.66 3fqf s ARG 118 Ca 0.33 1.91 -0.01 0.00 -0.13 0.00 0.00 55.73 57.83 3fqf s ARG 118 Cb -0.09 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 3fqf s ARG 118 CO 0.26 -0.36 -0.00 0.20 -0.81 0.00 0.00 175.30 174.59 3fqf s GLY 119 N 1.15 0.74 0.00 8.12 0.00 -1.26 -4.66 107.32 111.40 3fqf s GLY 119 Ca 0.61 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.99 3fqf s GLY 119 CO 0.29 -1.36 0.43 2.09 0.00 0.00 0.00 173.10 174.55 3fqf n ASP 120 N -0.00 0.71 -3.81 1.64 3.85 -0.30 -4.97 116.55 113.66 3fqf n ASP 120 Ca -0.10 -1.17 -0.15 0.00 -0.71 0.00 0.00 54.79 52.66 3fqf n ASP 120 Cb 0.62 0.00 -0.16 0.00 -1.35 0.00 0.00 41.12 40.24 3fqf n ASP 120 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3fqf s THR 121 N -0.17 0.03 0.02 2.12 2.01 -1.11 -5.01 115.64 113.53 3fqf s THR 121 Ca 0.00 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.16 3fqf s THR 121 Cb 0.00 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.38 3fqf s THR 121 CO 0.00 0.08 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.54 3fqf s PHE 122 N 0.77 0.98 0.30 4.92 0.08 -1.26 -0.45 117.98 123.32 3fqf s PHE 122 Ca -0.07 -0.29 -0.28 0.00 0.12 0.00 0.00 56.93 56.42 3fqf s PHE 122 Cb -0.10 -0.60 -0.09 0.00 -0.57 0.00 0.00 43.02 41.66 3fqf s PHE 122 CO -0.02 -0.00 1.00 0.12 -0.10 0.00 0.00 175.22 176.22 3fqf s PHE 123 N -0.65 3.67 0.62 0.36 5.36 0.27 -4.52 117.98 123.08 3fqf s PHE 123 Ca 0.01 1.78 -0.18 0.00 -0.96 0.00 0.00 56.93 57.57 3fqf s PHE 123 Cb -0.06 -3.07 -0.02 0.00 -0.34 0.00 0.00 43.02 39.52 3fqf s PHE 123 CO 0.00 -0.07 1.22 -1.25 -1.46 0.00 0.00 175.22 173.67 3fqf s PRO 124 N -1.73 2.82 0.50 10.12 0.04 -1.26 -4.88 135.00 140.60 3fqf s PRO 124 Ca 0.48 1.85 -0.23 0.00 0.04 0.00 0.00 61.00 63.14 3fqf s PRO 124 Cb -0.25 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 3fqf s PRO 124 CO 0.31 -1.33 1.22 -2.30 0.04 0.00 0.00 177.00 174.94 3fqf n PRO 125 N -1.77 1.61 -3.78 0.56 -0.02 -1.26 -5.04 135.00 125.31 3fqf n PRO 125 Ca 0.14 0.59 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3fqf n PRO 125 Cb 0.49 -2.38 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 3fqf n PRO 125 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3fqf s TYR 126 N -1.29 -0.00 -0.03 6.00 -0.85 -1.26 -5.16 117.35 114.76 3fqf s TYR 126 Ca 0.68 -0.32 0.07 0.00 -0.52 0.00 0.00 57.07 56.98 3fqf s TYR 126 Cb -0.46 0.05 -0.02 0.00 0.38 0.00 0.00 41.96 41.92 3fqf s TYR 126 CO 0.53 -0.56 -0.25 0.95 -1.52 0.00 0.00 175.55 174.70 3fqf s THR 127 N -3.44 1.99 -1.23 -3.49 -4.23 -1.26 -5.00 115.64 98.99 3fqf s THR 127 Ca 0.01 -1.06 0.07 0.00 -1.18 0.00 0.00 61.69 59.53 3fqf s THR 127 Cb 0.02 -1.67 0.09 0.00 1.34 0.00 0.00 72.50 72.29 3fqf s THR 127 CO -0.09 0.56 1.14 0.49 -0.54 0.00 0.00 174.62 176.18 3fqf n PHE 128 N 2.64 0.00 0.24 3.99 3.72 -1.26 -1.49 117.46 125.30 3fqf n PHE 128 Ca -0.16 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.32 3fqf n PHE 128 Cb 0.52 -0.39 0.62 0.00 -0.94 0.00 0.00 39.48 39.29 3fqf n PHE 128 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3fqf h GLU 129 N 0.00 0.00 -0.00 -1.08 4.81 -2.03 -3.05 114.58 113.23 3fqf h GLU 129 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3fqf h GLU 129 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3fqf h GLU 129 CO 0.00 0.15 -0.79 -0.25 -0.73 0.00 0.00 179.01 177.38 3fqf n ASP 130 N -4.02 1.02 -3.91 1.04 10.43 -0.56 -4.94 116.55 115.62 3fqf n ASP 130 Ca -0.02 -1.01 -0.25 0.00 2.57 0.00 0.00 54.79 56.08 3fqf n ASP 130 Cb 0.23 0.92 -0.17 0.00 1.84 0.00 0.00 41.12 43.94 3fqf n ASP 130 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3fqf s TRP 131 N -2.65 1.23 0.15 1.24 0.52 -1.15 -1.30 118.94 116.98 3fqf s TRP 131 Ca 0.08 -0.52 -0.26 0.00 0.02 0.00 0.00 56.10 55.43 3fqf s TRP 131 Cb 0.14 -1.04 -0.08 0.00 -1.15 0.00 0.00 33.47 31.35 3fqf s TRP 131 CO 0.71 -0.39 0.79 -2.00 0.02 0.00 0.00 176.95 176.08 3fqf s GLU 132 N 1.42 4.57 -0.74 4.98 2.12 0.39 -4.74 118.70 126.70 3fqf s GLU 132 Ca -0.01 1.16 -0.24 0.00 0.36 0.00 0.00 54.97 56.24 3fqf s GLU 132 Cb -0.13 -3.28 0.06 0.00 0.26 0.00 0.00 34.13 31.03 3fqf s GLU 132 CO -0.04 0.51 1.13 0.08 -0.54 0.00 0.00 175.26 176.40 3fqf s VAL 133 N -0.93 4.10 0.20 3.70 1.01 -1.26 -0.91 120.40 126.32 3fqf s VAL 133 Ca 0.37 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 3fqf s VAL 133 Cb -0.23 -4.81 0.01 0.00 0.00 0.00 0.00 36.38 31.36 3fqf s VAL 133 CO 0.26 -1.64 1.59 0.00 0.00 0.00 0.00 175.10 175.31 3fqf h ALA 134 N 9.70 0.82 -2.13 5.51 0.00 -1.06 -3.46 119.26 128.64 3fqf h ALA 134 Ca -0.21 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 3fqf h ALA 134 Cb 1.05 -0.14 -0.18 0.00 0.00 0.00 0.00 17.79 18.53 3fqf h ALA 134 CO 1.23 0.64 0.19 -1.54 0.00 0.00 0.00 179.25 179.78 3fqf s SER 135 N -6.79 -0.65 -0.13 0.00 1.04 -1.15 -4.99 113.70 101.03 3fqf s SER 135 Ca -0.09 0.63 -0.04 0.00 0.48 0.00 0.00 55.95 56.93 3fqf s SER 135 Cb 0.13 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.86 3fqf s SER 135 CO 0.84 -0.66 0.19 -0.55 0.98 0.00 0.00 173.24 174.05 3fqf s SER 136 N -1.39 0.98 -0.11 7.02 0.15 -1.26 -1.52 113.70 117.57 3fqf s SER 136 Ca -0.09 0.15 -0.00 0.00 0.70 0.00 0.00 55.95 56.70 3fqf s SER 136 Cb -0.00 0.35 0.02 0.00 -1.71 0.00 0.00 66.02 64.68 3fqf s SER 136 CO 0.07 -0.28 -0.09 -0.69 1.20 0.00 0.00 173.24 173.46 3fqf s VAL 137 N 2.31 1.09 0.20 4.45 1.01 -0.24 -4.97 120.40 124.25 3fqf s VAL 137 Ca 0.04 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 3fqf s VAL 137 Cb -0.13 -1.09 -0.09 0.00 0.00 0.00 0.00 36.38 35.07 3fqf s VAL 137 CO -0.08 0.38 1.37 -1.61 0.00 0.00 0.00 175.10 175.15 3fqf s GLU 138 N 1.59 4.34 0.57 2.72 2.02 -1.26 -0.25 118.70 128.43 3fqf s GLU 138 Ca 0.03 2.14 -0.15 0.00 0.02 0.00 0.00 54.97 57.00 3fqf s GLU 138 Cb -0.13 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.87 3fqf s GLU 138 CO -0.07 -0.34 1.03 0.20 0.02 0.00 0.00 175.26 176.09 3fqf s GLY 139 N 0.50 2.04 -0.08 -1.39 0.00 0.51 -4.92 107.32 103.98 3fqf s GLY 139 Ca 0.59 0.25 -0.27 0.00 0.00 0.00 0.00 44.72 45.29 3fqf s GLY 139 CO 0.38 0.55 0.87 0.54 0.00 0.00 0.00 173.10 175.44 3fqf s LYS 140 N -4.21 4.43 0.35 2.90 -0.14 -1.26 -4.69 119.74 117.12 3fqf s LYS 140 Ca 0.61 1.17 -0.26 0.00 -1.36 0.00 0.00 55.97 56.13 3fqf s LYS 140 Cb -0.13 -3.50 -0.09 0.00 -1.68 0.00 0.00 37.83 32.43 3fqf s LYS 140 CO 0.37 -0.14 1.06 -0.51 -0.76 0.00 0.00 175.35 175.37 3fqf s LEU 141 N 1.44 4.29 0.00 3.17 1.43 -1.26 -4.82 118.68 122.93 3fqf s LEU 141 Ca 0.44 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 3fqf s LEU 141 Cb -0.18 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.06 3fqf s LEU 141 CO 0.19 -0.36 0.30 -0.67 0.23 0.00 0.00 176.35 176.05 3fqf n ASP 142 N 0.40 -0.84 -0.02 2.29 2.03 -0.16 -4.97 116.55 115.28 3fqf n ASP 142 Ca 0.03 -2.33 -0.17 0.00 0.52 0.00 0.00 54.79 52.85 3fqf n ASP 142 Cb 0.48 1.61 -0.09 0.00 -0.72 0.00 0.00 41.12 42.40 3fqf n ASP 142 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3fqf h GLU 143 N 0.00 0.53 -0.01 -0.67 3.07 -2.03 -3.38 114.58 112.09 3fqf h GLU 143 Ca -0.18 -0.46 0.00 0.00 -0.50 0.00 0.00 59.36 58.22 3fqf h GLU 143 Cb 0.81 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 3fqf h GLU 143 CO 0.25 1.09 -0.61 1.63 -1.40 0.00 0.00 179.01 179.97 3fqf n LYS 144 N -4.19 0.68 -3.77 2.33 4.76 -1.26 -4.76 118.16 111.95 3fqf n LYS 144 Ca -0.09 -0.53 -0.30 0.00 -2.87 0.00 0.00 58.31 54.52 3fqf n LYS 144 Cb 0.64 -1.49 -0.14 0.00 -1.84 0.00 0.00 35.03 32.20 3fqf n LYS 144 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3fqf s ASN 145 N -2.69 4.02 0.00 4.39 0.01 -1.26 -4.43 114.94 114.98 3fqf s ASN 145 Ca 0.15 -2.01 0.11 0.00 -0.71 0.00 0.00 52.86 50.41 3fqf s ASN 145 Cb 0.18 -1.02 0.19 0.00 0.41 0.00 0.00 41.25 41.00 3fqf s ASN 145 CO 0.67 -0.37 1.04 0.35 -1.51 0.00 0.00 177.10 177.28 3fqf n THR 146 N 4.37 0.43 -4.83 1.60 -2.24 -1.26 -0.98 114.28 111.37 3fqf n THR 146 Ca 0.02 -0.72 -0.33 0.00 -2.27 0.00 0.00 64.05 60.76 3fqf n THR 146 Cb 0.40 0.92 -0.14 0.00 -2.10 0.00 0.00 70.33 69.40 3fqf n THR 146 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3fqf s ILE 147 N -0.98 2.96 0.41 2.28 1.01 -1.26 -5.00 121.20 120.62 3fqf s ILE 147 Ca 0.18 -0.70 -0.26 0.00 0.00 0.00 0.00 60.65 59.87 3fqf s ILE 147 Cb 0.11 -2.23 -0.09 0.00 0.01 0.00 0.00 42.46 40.27 3fqf s ILE 147 CO 0.15 0.53 1.31 -2.84 0.00 0.00 0.00 174.94 174.10 3fqf s PRO 148 N 0.26 3.96 -0.02 2.79 0.02 -1.26 -4.89 135.00 135.85 3fqf s PRO 148 Ca -0.10 2.18 -0.23 0.00 0.02 0.00 0.00 61.00 62.88 3fqf s PRO 148 Cb -0.16 -2.76 0.05 0.00 0.02 0.00 0.00 34.50 31.65 3fqf s PRO 148 CO 0.06 -0.51 0.49 -3.38 -0.33 0.00 0.00 177.00 173.33 3fqf s HIS 149 N -1.25 -0.41 -0.04 6.54 -3.43 -1.26 -0.65 115.29 114.78 3fqf s HIS 149 Ca 0.57 0.66 0.01 0.00 -0.80 0.00 0.00 55.06 55.50 3fqf s HIS 149 Cb -0.39 0.26 0.02 0.00 -1.43 0.00 0.00 32.58 31.04 3fqf s HIS 149 CO 0.50 -0.52 -0.06 0.99 -2.00 0.00 0.00 174.74 173.65 3fqf s THR 150 N -1.42 0.60 -0.35 -5.38 2.01 -0.26 -0.36 115.64 110.47 3fqf s THR 150 Ca -0.11 -0.19 -0.20 0.00 0.31 0.00 0.00 61.69 61.50 3fqf s THR 150 Cb -0.02 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.90 3fqf s THR 150 CO 0.06 0.22 0.60 -0.36 -0.69 0.00 0.00 174.62 174.45 3fqf s PHE 151 N 0.67 3.16 -0.09 4.92 0.08 0.66 -0.36 117.98 127.02 3fqf s PHE 151 Ca -0.09 0.29 -0.02 0.00 0.12 0.00 0.00 56.93 57.23 3fqf s PHE 151 Cb -0.13 -3.07 -0.03 0.00 -0.57 0.00 0.00 43.02 39.23 3fqf s PHE 151 CO 0.01 -0.60 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.01 3fqf s LEU 152 N 2.60 3.51 -0.26 -0.37 1.43 0.14 -1.08 118.68 124.66 3fqf s LEU 152 Ca 0.23 0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.42 3fqf s LEU 152 Cb -0.15 -1.80 0.04 0.00 0.03 0.00 0.00 46.19 44.31 3fqf s LEU 152 CO 0.14 0.35 -0.07 -2.28 0.23 0.00 0.00 176.35 174.73 3fqf s HIS 153 N -0.72 3.14 -0.13 0.29 5.65 -0.57 -0.90 115.29 122.05 3fqf s HIS 153 Ca 0.11 -1.81 -0.03 0.00 0.25 0.00 0.00 55.06 53.58 3fqf s HIS 153 Cb -0.12 -2.03 -0.03 0.00 -1.18 0.00 0.00 32.58 29.22 3fqf s HIS 153 CO 0.02 -0.79 -0.02 -0.51 -0.65 0.00 0.00 174.74 172.79 3fqf s LEU 154 N 1.26 3.37 -0.07 8.88 1.02 -0.10 -0.36 118.68 132.68 3fqf s LEU 154 Ca -0.03 -0.03 0.04 0.00 0.02 0.00 0.00 54.13 54.14 3fqf s LEU 154 Cb -0.18 -1.79 -0.01 0.00 0.02 0.00 0.00 46.19 44.22 3fqf s LEU 154 CO -0.04 0.25 -0.20 -0.63 0.02 0.00 0.00 176.35 175.74 3fqf s ILE 155 N -0.12 2.48 0.08 -0.59 1.01 -0.09 -0.90 121.20 123.07 3fqf s ILE 155 Ca 0.03 -0.91 -0.31 0.00 0.00 0.00 0.00 60.65 59.46 3fqf s ILE 155 Cb -0.13 -1.95 -0.10 0.00 0.01 0.00 0.00 42.46 40.29 3fqf s ILE 155 CO 0.02 0.57 1.87 -1.14 0.00 0.00 0.00 174.94 176.26 3fqf n ARG 156 N 2.93 2.74 0.00 2.79 0.63 -1.01 -0.46 116.66 124.28 3fqf n ARG 156 Ca -0.18 1.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.79 3fqf n ARG 156 Cb 0.52 -2.90 0.24 0.00 0.45 0.00 0.00 32.46 30.77 3fqf n ARG 156 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75