#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hk9 s ILE 3 N 0.00 3.87 -0.53 -1.33 1.01 -1.26 -4.97 121.20 117.99 3hk9 s ILE 3 Ca 0.00 -1.91 0.26 0.00 0.00 0.00 0.00 60.65 59.00 3hk9 s ILE 3 Cb 0.00 -3.58 0.29 0.00 0.01 0.00 0.00 42.46 39.18 3hk9 s ILE 3 CO 0.00 -0.75 1.76 -1.13 0.00 0.00 0.00 174.94 174.82 3hk9 h ASN 4 N 8.28 0.00 -5.09 3.58 -0.73 -1.99 -3.47 115.58 116.16 3hk9 h ASN 4 Ca -0.18 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 57.90 3hk9 h ASN 4 Cb 1.06 0.00 -0.16 0.00 0.27 0.00 0.00 38.32 39.49 3hk9 h ASN 4 CO 0.80 0.00 -0.31 -0.94 -0.37 0.00 0.00 177.43 176.61 3hk9 s SER 5 N -4.72 -0.02 0.33 1.15 1.04 -1.26 -5.03 113.70 105.18 3hk9 s SER 5 Ca 0.07 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.12 3hk9 s SER 5 Cb 0.10 0.34 0.56 0.00 0.10 0.00 0.00 66.02 67.12 3hk9 s SER 5 CO 0.52 -0.66 1.92 -0.09 0.98 0.00 0.00 173.24 175.92 3hk9 h ARG 6 N 3.06 0.76 -0.45 4.02 2.43 -1.98 -1.12 114.38 121.10 3hk9 h ARG 6 Ca -0.33 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3hk9 h ARG 6 Cb 1.20 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 3hk9 h ARG 6 CO 0.50 0.61 0.30 0.93 -1.51 0.00 0.00 179.97 180.80 3hk9 h GLU 7 N 0.76 0.60 -0.43 0.20 3.07 -1.99 0.23 114.58 117.01 3hk9 h GLU 7 Ca 0.18 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 58.87 3hk9 h GLU 7 Cb 0.12 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 3hk9 h GLU 7 CO -0.02 0.39 -0.27 0.28 -1.40 0.00 0.00 179.01 177.99 3hk9 h VAL 8 N 0.61 1.27 -0.42 3.13 2.07 -1.89 -2.43 116.25 118.60 3hk9 h VAL 8 Ca 0.17 -1.44 0.04 0.00 0.82 0.00 0.00 66.70 66.29 3hk9 h VAL 8 Cb -0.07 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3hk9 h VAL 8 CO -0.04 0.49 0.19 0.25 0.02 0.00 0.00 177.57 178.48 3hk9 h LEU 9 N 0.79 0.25 -0.10 2.57 5.85 -0.66 -0.22 115.31 123.79 3hk9 h LEU 9 Ca 0.09 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3hk9 h LEU 9 Cb 0.85 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3hk9 h LEU 9 CO 0.07 0.19 -0.08 0.00 -0.34 0.00 0.00 178.44 178.28 3hk9 h ALA 10 N 1.24 -0.00 -0.33 1.25 0.00 -0.38 0.28 119.26 121.31 3hk9 h ALA 10 Ca 0.18 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3hk9 h ALA 10 Cb 0.12 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3hk9 h ALA 10 CO -0.15 -0.54 -0.07 1.49 0.00 0.00 0.00 179.25 179.98 3hk9 h GLU 11 N -0.10 0.01 -0.37 0.00 4.81 -0.98 0.11 114.58 118.06 3hk9 h GLU 11 Ca 0.07 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 3hk9 h GLU 11 Cb 0.20 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3hk9 h GLU 11 CO -0.16 0.01 -0.21 0.87 -0.73 0.00 0.00 179.01 178.79 3hk9 h LYS 12 N 0.01 0.72 -0.20 1.92 1.57 -0.54 -1.91 116.57 118.15 3hk9 h LYS 12 Ca 0.16 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 3hk9 h LYS 12 Cb 0.24 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3hk9 h LYS 12 CO -0.33 0.87 -0.10 0.28 -0.57 0.00 0.00 179.45 179.60 3hk9 h VAL 13 N 0.64 1.31 -0.87 0.50 2.07 0.01 -2.16 116.25 117.74 3hk9 h VAL 13 Ca 0.09 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3hk9 h VAL 13 Cb 0.70 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 3hk9 h VAL 13 CO 0.05 0.36 0.55 0.11 0.02 0.00 0.00 177.57 178.66 3hk9 h LYS 14 N 0.12 1.16 -0.63 1.57 1.57 -0.74 -0.49 116.57 119.13 3hk9 h LYS 14 Ca 0.04 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3hk9 h LYS 14 Cb 0.60 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3hk9 h LYS 14 CO 0.03 0.80 0.11 -0.91 -0.57 0.00 0.00 179.45 178.91 3hk9 h ASN 15 N 1.19 0.99 -0.00 0.86 2.35 -1.29 -0.02 115.58 119.66 3hk9 h ASN 15 Ca 0.32 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3hk9 h ASN 15 Cb -0.09 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.02 3hk9 h ASN 15 CO -0.06 1.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.71 3hk9 h ALA 16 N 1.03 0.00 -0.19 -0.83 0.00 -1.01 -0.39 119.26 117.88 3hk9 h ALA 16 Ca 0.19 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3hk9 h ALA 16 Cb 0.42 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3hk9 h ALA 16 CO 0.01 -0.35 0.01 0.28 0.00 0.00 0.00 179.25 179.20 3hk9 h VAL 17 N -0.29 0.88 -0.67 0.00 2.07 -1.02 -0.75 116.25 116.48 3hk9 h VAL 17 Ca 0.00 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 3hk9 h VAL 17 Cb 0.30 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3hk9 h VAL 17 CO 0.00 0.01 0.24 0.78 0.02 0.00 0.00 177.57 178.63 3hk9 h ASN 18 N 0.08 0.92 1.79 0.57 -0.26 -0.95 -2.98 115.58 114.74 3hk9 h ASN 18 Ca 0.09 -0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 3hk9 h ASN 18 Cb 0.10 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 3hk9 h ASN 18 CO -0.14 0.84 0.00 0.78 -1.06 0.00 0.00 177.43 177.85 3hk9 h ASN 19 N 0.97 0.00 -2.73 5.81 2.35 -0.78 -3.45 115.58 117.75 3hk9 h ASN 19 Ca 0.22 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.42 3hk9 h ASN 19 Cb 0.22 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3hk9 h ASN 19 CO -0.02 0.00 1.03 -1.58 -1.65 0.00 0.00 177.43 175.22 3hk9 s GLN 20 N -3.24 4.15 0.28 0.81 2.00 -0.31 -4.97 119.66 118.38 3hk9 s GLN 20 Ca 0.07 1.96 -0.29 0.00 -2.00 0.00 0.00 55.36 55.09 3hk9 s GLN 20 Cb 0.07 -3.92 -0.10 0.00 0.80 0.00 0.00 33.01 29.86 3hk9 s GLN 20 CO 0.64 -0.85 1.38 -1.25 -0.50 0.00 0.00 175.29 174.71 3hk9 s PRO 21 N 3.94 4.30 -0.03 1.67 0.04 -1.26 -4.95 135.00 138.71 3hk9 s PRO 21 Ca 0.67 2.27 -0.10 0.00 0.04 0.00 0.00 61.00 63.88 3hk9 s PRO 21 Cb -0.29 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 3hk9 s PRO 21 CO 0.25 -0.33 0.29 0.08 0.04 0.00 0.00 177.00 177.33 3hk9 s VAL 22 N -0.48 5.26 -0.34 -0.36 1.01 0.09 -4.68 120.40 120.90 3hk9 s VAL 22 Ca 0.55 0.45 -0.06 0.00 0.00 0.00 0.00 61.98 62.91 3hk9 s VAL 22 Cb -0.41 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.44 3hk9 s VAL 22 CO 0.48 0.52 0.11 -0.89 0.00 0.00 0.00 175.10 175.31 3hk9 s THR 23 N -1.14 3.80 -0.71 3.92 2.01 -0.50 -0.92 115.64 122.10 3hk9 s THR 23 Ca 0.22 -1.12 -0.21 0.00 0.31 0.00 0.00 61.69 60.90 3hk9 s THR 23 Cb -0.14 -3.15 0.09 0.00 0.01 0.00 0.00 72.50 69.32 3hk9 s THR 23 CO 0.11 -0.17 0.95 -0.62 -0.69 0.00 0.00 174.62 174.20 3hk9 s ASP 24 N 1.41 6.29 0.00 3.53 -1.08 0.29 -4.73 116.67 122.38 3hk9 s ASP 24 Ca -0.02 -1.35 0.11 0.00 -0.52 0.00 0.00 52.55 50.77 3hk9 s ASP 24 Cb -0.19 -2.39 0.63 0.00 -1.46 0.00 0.00 42.92 39.51 3hk9 s ASP 24 CO 0.03 -1.28 1.26 1.15 0.52 0.00 0.00 175.17 176.85 3hk9 n MET 25 N 7.13 0.82 -3.20 4.34 0.00 -1.26 -0.58 117.12 124.38 3hk9 n MET 25 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.76 3hk9 n MET 25 Cb 0.46 -1.20 -0.01 0.00 0.00 0.00 0.00 33.22 32.46 3hk9 n MET 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3hk9 s HIS 26 N -2.00 -1.43 0.30 3.17 5.65 -1.26 -4.75 115.29 114.97 3hk9 s HIS 26 Ca 0.16 1.61 -0.01 0.00 0.25 0.00 0.00 55.06 57.07 3hk9 s HIS 26 Cb 0.07 0.54 -0.02 0.00 -1.18 0.00 0.00 32.58 31.99 3hk9 s HIS 26 CO 0.12 -0.77 0.35 0.95 -0.65 0.00 0.00 174.74 174.74 3hk9 s THR 27 N 2.87 0.00 -0.23 0.89 -4.23 -0.44 -1.13 115.64 113.37 3hk9 s THR 27 Ca 0.15 -1.77 0.10 0.00 -1.18 0.00 0.00 61.69 59.00 3hk9 s THR 27 Cb -0.14 -2.52 0.43 0.00 1.34 0.00 0.00 72.50 71.61 3hk9 s THR 27 CO -0.19 0.00 1.21 1.41 -0.54 0.00 0.00 174.62 176.51 3hk9 n HIS 28 N -0.50 0.63 -3.23 3.99 8.25 0.19 -3.07 115.22 121.49 3hk9 n HIS 28 Ca 0.03 -1.65 -0.19 0.00 -0.26 0.00 0.00 57.72 55.64 3hk9 n HIS 28 Cb 0.63 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.47 3hk9 n HIS 28 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hk9 s LEU 29 N -3.28 3.80 0.03 2.41 1.43 -1.18 -4.64 118.68 117.24 3hk9 s LEU 29 Ca 0.41 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 3hk9 s LEU 29 Cb 0.38 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 3hk9 s LEU 29 CO -0.05 -0.60 -0.05 -0.36 0.23 0.00 0.00 176.35 175.52 3hk9 s PHE 30 N -2.32 0.43 0.31 0.29 0.08 -1.26 -4.41 117.98 111.09 3hk9 s PHE 30 Ca 0.49 -0.52 -0.29 0.00 0.12 0.00 0.00 56.93 56.72 3hk9 s PHE 30 Cb -0.10 -0.28 -0.13 0.00 -0.57 0.00 0.00 43.02 41.95 3hk9 s PHE 30 CO 0.33 -0.15 1.26 0.45 -0.10 0.00 0.00 175.22 177.01 3hk9 n SER 31 N 1.53 2.46 -0.06 1.36 2.88 -1.26 -4.78 113.62 115.74 3hk9 n SER 31 Ca -0.23 1.19 0.24 0.00 -1.33 0.00 0.00 58.87 58.74 3hk9 n SER 31 Cb 0.55 -1.43 0.72 0.00 -0.75 0.00 0.00 64.21 63.30 3hk9 n SER 31 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hk9 h PRO 32 N 2.80 0.00 0.00 -1.46 0.13 -1.93 -1.60 132.00 129.94 3hk9 h PRO 32 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3hk9 h PRO 32 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3hk9 h PRO 32 CO 0.65 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.69 3hk9 n ASN 33 N -4.14 0.31 0.06 1.44 6.94 -1.26 -2.10 115.26 116.50 3hk9 n ASN 33 Ca 0.13 0.58 0.13 0.00 -0.02 0.00 0.00 54.58 55.40 3hk9 n ASN 33 Cb 0.78 -0.65 0.49 0.00 -2.36 0.00 0.00 39.78 38.05 3hk9 n ASN 33 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 3hk9 n PHE 34 N -1.85 0.50 -1.26 -2.53 3.01 -0.60 -5.02 117.46 109.71 3hk9 n PHE 34 Ca 0.02 0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.64 3hk9 n PHE 34 Cb 0.18 -0.75 0.00 0.00 -0.01 0.00 0.00 39.48 38.90 3hk9 n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hk9 n GLY 35 N 1.23 -0.34 0.54 1.37 0.00 -0.89 -4.48 105.19 102.61 3hk9 n GLY 35 Ca 0.06 -1.62 0.34 0.00 0.00 0.00 0.00 46.02 44.80 3hk9 n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hk9 h GLU 36 N 0.00 0.00 -0.22 1.61 4.39 -1.95 -1.10 114.58 117.31 3hk9 h GLU 36 Ca 0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 3hk9 h GLU 36 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3hk9 h GLU 36 CO 0.00 0.00 0.20 0.97 -1.16 0.00 0.00 179.01 179.02 3hk9 h ILE 37 N 0.00 0.62 -3.67 3.13 2.10 -1.97 -3.36 117.51 114.36 3hk9 h ILE 37 Ca 0.55 0.00 -0.56 0.00 1.08 0.00 0.00 64.86 65.93 3hk9 h ILE 37 Cb 2.46 0.85 -0.07 0.00 -1.09 0.00 0.00 36.82 38.97 3hk9 h ILE 37 CO -0.01 0.00 0.93 -0.22 -1.08 0.00 0.00 178.15 177.77 3hk9 s LEU 38 N -8.11 3.65 0.06 2.19 2.96 -0.42 -4.81 118.68 114.20 3hk9 s LEU 38 Ca -0.05 0.52 -0.20 0.00 -0.22 0.00 0.00 54.13 54.18 3hk9 s LEU 38 Cb 0.17 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 43.24 3hk9 s LEU 38 CO 0.61 -1.23 0.59 -0.76 -1.32 0.00 0.00 176.35 174.24 3hk9 s LEU 39 N 4.44 4.50 0.15 -0.68 1.43 -1.26 -5.00 118.68 122.26 3hk9 s LEU 39 Ca 0.48 1.26 -0.24 0.00 -1.03 0.00 0.00 54.13 54.61 3hk9 s LEU 39 Cb -0.08 -2.93 0.07 0.00 0.03 0.00 0.00 46.19 43.28 3hk9 s LEU 39 CO 0.31 0.23 0.65 -1.66 0.23 0.00 0.00 176.35 176.10 3hk9 s TRP 40 N -0.87 -0.48 0.00 0.29 1.48 -1.26 -0.56 118.94 117.53 3hk9 s TRP 40 Ca 0.30 0.26 0.00 0.00 -1.06 0.00 0.00 56.10 55.60 3hk9 s TRP 40 Cb -0.19 0.57 0.00 0.00 -1.16 0.00 0.00 33.47 32.69 3hk9 s TRP 40 CO 0.19 -0.84 0.00 -0.40 -4.06 0.00 0.00 176.95 171.84 3hk9 n ASP 41 N -0.37 0.00 -0.21 -2.66 5.68 -1.26 -4.54 116.55 113.19 3hk9 n ASP 41 Ca -0.15 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.25 3hk9 n ASP 41 Cb 0.64 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 41.02 3hk9 n ASP 41 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3hk9 h ILE 42 N 0.00 0.89 0.00 2.12 6.09 -1.96 -1.42 117.51 123.23 3hk9 h ILE 42 Ca 0.00 -0.22 -0.10 0.00 -1.37 0.00 0.00 64.86 63.17 3hk9 h ILE 42 Cb 0.00 0.18 -0.01 0.00 0.47 0.00 0.00 36.82 37.46 3hk9 h ILE 42 CO 0.00 0.12 -0.49 0.44 -3.07 0.00 0.00 178.15 175.15 3hk9 h ASP 43 N 0.64 0.00 0.01 2.19 3.32 -1.95 -1.48 116.42 119.15 3hk9 h ASP 43 Ca 0.38 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.20 3hk9 h ASP 43 Cb 0.60 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.16 3hk9 h ASP 43 CO -0.15 0.49 -0.89 -0.33 -1.72 0.00 0.00 179.24 176.64 3hk9 h GLU 44 N 0.00 0.67 -0.35 3.56 4.39 -1.53 -2.70 114.58 118.61 3hk9 h GLU 44 Ca -0.00 -0.63 -0.01 0.00 0.34 0.00 0.00 59.36 59.06 3hk9 h GLU 44 Cb 0.92 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 3hk9 h GLU 44 CO 0.06 1.23 0.20 -0.07 -1.16 0.00 0.00 179.01 179.28 3hk9 h LEU 45 N 0.42 0.44 -1.40 1.33 3.38 -1.09 -2.26 115.31 116.14 3hk9 h LEU 45 Ca -0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3hk9 h LEU 45 Cb 1.52 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 3hk9 h LEU 45 CO 0.17 0.39 -0.07 -0.07 0.09 0.00 0.00 178.44 178.95 3hk9 h LEU 46 N 0.45 0.00 -2.82 1.67 3.38 -1.31 -2.95 115.31 113.73 3hk9 h LEU 46 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hk9 h LEU 46 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hk9 h LEU 46 CO -0.02 0.07 0.00 0.35 0.09 0.00 0.00 178.44 178.93 3hk9 n THR 47 N -3.21 1.09 -1.64 0.22 -2.24 -1.02 -4.74 114.28 102.74 3hk9 n THR 47 Ca 0.00 -1.03 -0.45 0.00 -2.27 0.00 0.00 64.05 60.31 3hk9 n THR 47 Cb 0.34 0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 69.00 3hk9 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hk9 n TYR 48 N 1.35 1.87 0.23 4.78 9.36 -0.88 -4.73 117.16 129.14 3hk9 n TYR 48 Ca 0.22 0.55 0.18 0.00 3.32 0.00 0.00 57.90 62.16 3hk9 n TYR 48 Cb 0.61 -2.38 0.86 0.00 -0.63 0.00 0.00 39.34 37.80 3hk9 n TYR 48 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 3hk9 h HIS 49 N 3.36 0.00 -0.86 2.98 2.07 -1.92 -0.01 115.15 120.77 3hk9 h HIS 49 Ca -0.44 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.13 3hk9 h HIS 49 Cb 1.30 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.22 3hk9 h HIS 49 CO 0.53 0.00 0.54 1.88 -3.07 0.00 0.00 177.93 177.82 3hk9 h TYR 50 N 0.00 1.01 0.00 6.12 -1.99 -1.94 -0.64 116.97 119.54 3hk9 h TYR 50 Ca 0.08 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.77 3hk9 h TYR 50 Cb 0.51 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.90 3hk9 h TYR 50 CO 0.00 0.55 -0.29 -0.07 -0.00 0.00 0.00 178.16 178.35 3hk9 h LEU 51 N 1.02 0.00 -0.25 3.88 4.07 -1.31 -2.49 115.31 120.24 3hk9 h LEU 51 Ca 0.36 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.27 3hk9 h LEU 51 Cb 0.09 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3hk9 h LEU 51 CO -0.15 0.29 -0.03 0.58 -1.08 0.00 0.00 178.44 178.05 3hk9 h VAL 52 N 0.00 1.27 -0.13 1.22 2.07 -0.93 0.79 116.25 120.55 3hk9 h VAL 52 Ca -0.00 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3hk9 h VAL 52 Cb 1.06 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 3hk9 h VAL 52 CO 0.04 0.31 0.07 0.00 0.02 0.00 0.00 177.57 178.01 3hk9 h ALA 53 N 0.78 0.17 -0.64 1.67 0.00 -1.10 -2.66 119.26 117.48 3hk9 h ALA 53 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3hk9 h ALA 53 Cb 0.48 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3hk9 h ALA 53 CO 0.02 -0.30 0.23 0.93 0.00 0.00 0.00 179.25 180.13 3hk9 h GLU 54 N 0.12 0.95 -0.12 0.00 5.08 -1.34 -2.95 114.58 116.31 3hk9 h GLU 54 Ca 0.05 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 3hk9 h GLU 54 Cb 0.07 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3hk9 h GLU 54 CO -0.01 0.79 -0.44 -0.24 -1.00 0.00 0.00 179.01 178.12 3hk9 h VAL 55 N 0.92 1.32 0.00 3.13 3.04 -0.73 -2.61 116.25 121.32 3hk9 h VAL 55 Ca 0.21 -1.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.31 3hk9 h VAL 55 Cb 0.22 1.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 3hk9 h VAL 55 CO -0.01 0.48 0.00 0.24 -1.01 0.00 0.00 177.57 177.26 3hk9 h MET 56 N 0.22 0.00 0.00 4.17 2.86 -1.30 -0.27 114.93 120.62 3hk9 h MET 56 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3hk9 h MET 56 Cb 0.87 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.53 3hk9 h MET 56 CO 0.07 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.04 3hk9 h ARG 57 N 0.00 0.00 0.00 1.72 3.08 -1.48 -3.38 114.38 114.32 3hk9 h ARG 57 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 3hk9 h ARG 57 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3hk9 h ARG 57 CO 0.00 0.00 -1.52 0.91 -1.07 0.00 0.00 179.97 178.29 3hk9 n TRP 58 N -2.88 0.00 -2.15 3.04 7.02 -0.42 -5.07 117.44 116.99 3hk9 n TRP 58 Ca 0.03 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.13 3hk9 n TRP 58 Cb 0.41 -0.34 -0.00 0.00 -2.42 0.00 0.00 31.31 28.96 3hk9 n TRP 58 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 3hk9 s THR 59 N -2.17 2.86 -1.66 -0.99 -1.32 -0.25 -4.93 115.64 107.18 3hk9 s THR 59 Ca -0.13 0.68 0.27 0.00 -1.21 0.00 0.00 61.69 61.30 3hk9 s THR 59 Cb 0.04 -3.36 0.29 0.00 -1.51 0.00 0.00 72.50 67.97 3hk9 s THR 59 CO 0.18 0.02 1.63 -0.90 -2.21 0.00 0.00 174.62 173.34 3hk9 n ASP 60 N -0.42 0.84 -4.74 8.08 3.85 -1.26 -4.84 116.55 118.06 3hk9 n ASP 60 Ca 0.07 -0.74 -0.41 0.00 -0.71 0.00 0.00 54.79 52.99 3hk9 n ASP 60 Cb 0.47 0.08 -0.03 0.00 -1.35 0.00 0.00 41.12 40.29 3hk9 n ASP 60 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3hk9 s VAL 61 N -2.54 3.11 0.66 2.12 1.01 -1.26 -4.99 120.40 118.51 3hk9 s VAL 61 Ca 0.24 0.92 -0.13 0.00 0.00 0.00 0.00 61.98 63.01 3hk9 s VAL 61 Cb 0.19 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 3hk9 s VAL 61 CO 0.52 0.14 1.07 -0.94 0.00 0.00 0.00 175.10 175.89 3hk9 s SER 62 N 0.31 5.40 0.37 3.32 1.04 -1.26 -4.87 113.70 118.00 3hk9 s SER 62 Ca 0.57 1.77 0.09 0.00 0.48 0.00 0.00 55.95 58.86 3hk9 s SER 62 Cb -0.37 -2.52 0.72 0.00 0.10 0.00 0.00 66.02 63.94 3hk9 s SER 62 CO 0.39 -1.43 1.87 -0.29 0.98 0.00 0.00 173.24 174.76 3hk9 h ILE 63 N -0.22 1.21 -0.42 -1.02 6.09 -1.96 -0.22 117.51 120.98 3hk9 h ILE 63 Ca -0.45 -0.96 -0.11 0.00 -1.37 0.00 0.00 64.86 61.96 3hk9 h ILE 63 Cb 1.22 1.34 -0.01 0.00 0.47 0.00 0.00 36.82 39.84 3hk9 h ILE 63 CO 0.56 0.29 -0.18 -0.33 -3.07 0.00 0.00 178.15 175.42 3hk9 h GLU 64 N 0.20 0.86 -0.48 2.19 3.07 -1.92 -1.84 114.58 116.66 3hk9 h GLU 64 Ca 0.04 -0.37 -0.06 0.00 -0.50 0.00 0.00 59.36 58.47 3hk9 h GLU 64 Cb 0.48 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 3hk9 h GLU 64 CO 0.03 1.01 0.06 0.00 -1.40 0.00 0.00 179.01 178.71 3hk9 h ALA 65 N 0.83 0.64 -0.23 3.43 0.00 -1.81 -2.09 119.26 120.03 3hk9 h ALA 65 Ca 0.10 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.82 3hk9 h ALA 65 Cb 0.74 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 3hk9 h ALA 65 CO 0.06 0.39 -0.14 0.35 0.00 0.00 0.00 179.25 179.90 3hk9 h PHE 66 N 0.67 -0.36 0.00 0.00 3.57 -0.85 -0.56 116.94 119.41 3hk9 h PHE 66 Ca 0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3hk9 h PHE 66 Cb 0.42 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 3hk9 h PHE 66 CO 0.03 -0.21 -0.16 -1.49 -2.23 0.00 0.00 178.31 174.25 3hk9 h TRP 67 N -0.13 0.00 0.00 0.41 -0.00 -1.18 -1.45 115.95 113.60 3hk9 h TRP 67 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.02 3hk9 h TRP 67 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.48 3hk9 h TRP 67 CO -0.31 0.16 0.00 0.00 -0.00 0.00 0.00 178.44 178.29 3hk9 h ALA 68 N 1.84 1.00 -2.34 1.49 0.00 -0.43 -3.45 119.26 117.38 3hk9 h ALA 68 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3hk9 h ALA 68 Cb 0.28 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.15 3hk9 h ALA 68 CO 0.02 0.00 0.38 -1.64 0.00 0.00 0.00 179.25 178.01 3hk9 s MET 69 N -3.35 3.11 0.73 0.00 -1.94 -0.55 -5.05 119.30 112.25 3hk9 s MET 69 Ca 0.05 0.93 -0.11 0.00 -1.71 0.00 0.00 55.69 54.85 3hk9 s MET 69 Cb 0.09 -2.01 0.03 0.00 2.01 0.00 0.00 34.83 34.94 3hk9 s MET 69 CO 0.54 -0.96 1.09 -1.54 -0.01 0.00 0.00 175.02 174.14 3hk9 s SER 70 N -3.80 5.21 0.23 3.03 1.04 -1.26 -4.83 113.70 113.32 3hk9 s SER 70 Ca 0.58 1.22 -0.06 0.00 0.48 0.00 0.00 55.95 58.16 3hk9 s SER 70 Cb -0.13 -2.01 0.39 0.00 0.10 0.00 0.00 66.02 64.37 3hk9 s SER 70 CO 0.53 -1.50 1.73 0.50 0.98 0.00 0.00 173.24 175.49 3hk9 h LYS 71 N -0.77 0.42 -0.30 4.02 1.63 -1.96 -0.98 116.57 118.64 3hk9 h LYS 71 Ca -0.45 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.22 3hk9 h LYS 71 Cb 1.25 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 3hk9 h LYS 71 CO 0.62 0.28 -0.25 -0.09 -3.45 0.00 0.00 179.45 176.56 3hk9 h ARG 72 N 0.43 0.59 -0.08 1.90 2.43 -1.93 -1.84 114.38 115.88 3hk9 h ARG 72 Ca 0.38 -0.23 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 3hk9 h ARG 72 Cb 0.53 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3hk9 h ARG 72 CO -0.37 0.79 -0.52 0.93 -1.51 0.00 0.00 179.97 179.29 3hk9 h GLU 73 N 0.51 0.22 -0.32 0.20 5.08 -1.69 -0.77 114.58 117.82 3hk9 h GLU 73 Ca 0.07 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 3hk9 h GLU 73 Cb 0.71 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3hk9 h GLU 73 CO 0.05 0.69 -0.22 1.96 -1.00 0.00 0.00 179.01 180.49 3hk9 h GLN 74 N 0.18 0.71 -0.22 2.33 4.20 -0.99 -1.31 115.11 120.00 3hk9 h GLN 74 Ca 0.01 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 3hk9 h GLN 74 Cb 0.97 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 3hk9 h GLN 74 CO 0.08 0.95 0.12 0.00 -0.67 0.00 0.00 178.83 179.31 3hk9 h ALA 75 N 0.75 0.29 -0.97 3.87 0.00 -1.18 -0.86 119.26 121.15 3hk9 h ALA 75 Ca 0.06 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3hk9 h ALA 75 Cb 0.77 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 3hk9 h ALA 75 CO 0.06 -0.17 0.63 -0.44 0.00 0.00 0.00 179.25 179.33 3hk9 h ASP 76 N 0.25 1.02 0.03 0.00 3.32 -1.04 0.64 116.42 120.63 3hk9 h ASP 76 Ca 0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3hk9 h ASP 76 Cb 0.08 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3hk9 h ASP 76 CO -0.01 0.67 -0.02 0.25 -1.72 0.00 0.00 179.24 178.41 3hk9 h LEU 77 N 1.17 -0.04 -0.83 1.55 5.85 -0.81 -1.75 115.31 120.44 3hk9 h LEU 77 Ca 0.41 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3hk9 h LEU 77 Cb 0.11 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3hk9 h LEU 77 CO -0.16 0.26 0.47 0.40 -0.34 0.00 0.00 178.44 179.08 3hk9 h ILE 78 N -0.34 1.24 -0.05 4.05 2.04 -0.86 0.75 117.51 124.34 3hk9 h ILE 78 Ca -0.00 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3hk9 h ILE 78 Cb 0.32 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3hk9 h ILE 78 CO 0.01 0.26 0.02 -0.25 0.00 0.00 0.00 178.15 178.19 3hk9 h TRP 79 N 1.15 0.03 0.16 1.37 2.91 -0.83 0.16 115.95 120.90 3hk9 h TRP 79 Ca 0.30 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.31 3hk9 h TRP 79 Cb 0.00 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 3hk9 h TRP 79 CO 0.00 0.02 -0.08 1.49 -1.03 0.00 0.00 178.44 178.84 3hk9 h GLU 80 N 0.04 -0.21 -0.36 2.65 4.57 -0.91 -0.67 114.58 119.70 3hk9 h GLU 80 Ca 0.02 0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.05 3hk9 h GLU 80 Cb 0.01 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 3hk9 h GLU 80 CO -0.02 -0.05 -0.43 0.93 -1.18 0.00 0.00 179.01 178.25 3hk9 h GLU 81 N -0.32 0.92 0.00 1.92 4.39 -0.80 0.49 114.58 121.18 3hk9 h GLU 81 Ca -0.02 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3hk9 h GLU 81 Cb 0.25 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3hk9 h GLU 81 CO 0.04 1.16 -1.54 1.28 -1.16 0.00 0.00 179.01 178.79 3hk9 n LEU 82 N -4.05 0.38 -0.04 1.33 4.77 0.56 -3.92 117.00 116.03 3hk9 n LEU 82 Ca -0.03 -0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 55.83 3hk9 n LEU 82 Cb 0.57 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 3hk9 n LEU 82 CO 0.49 0.04 -0.74 0.49 -1.33 0.00 0.00 177.39 176.34 3hk9 n PHE 83 N -2.09 0.00 -0.10 -1.77 3.72 -0.30 -3.41 117.46 113.50 3hk9 n PHE 83 Ca -0.01 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.15 3hk9 n PHE 83 Cb 0.50 -0.31 -0.11 0.00 -0.94 0.00 0.00 39.48 38.61 3hk9 n PHE 83 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hk9 n ILE 84 N -2.53 1.56 0.35 4.37 2.08 -0.94 -4.35 119.36 119.90 3hk9 n ILE 84 Ca -0.13 -0.24 0.14 0.00 0.56 0.00 0.00 62.75 63.08 3hk9 n ILE 84 Cb 0.67 -1.92 0.45 0.00 -0.75 0.00 0.00 39.64 38.09 3hk9 n ILE 84 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3hk9 h LYS 85 N -0.82 0.00 -3.30 0.38 1.57 -1.07 -3.44 116.57 109.89 3hk9 h LYS 85 Ca -0.48 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.19 3hk9 h LYS 85 Cb 1.52 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.65 3hk9 h LYS 85 CO -0.24 0.00 -0.31 1.03 -0.57 0.00 0.00 179.45 179.37 3hk9 s ARG 86 N -3.36 0.71 0.25 3.15 3.00 -1.25 -5.05 118.95 116.39 3hk9 s ARG 86 Ca 0.05 -0.43 -0.30 0.00 0.00 0.00 0.00 55.73 55.05 3hk9 s ARG 86 Cb 0.09 0.31 -0.09 0.00 0.00 0.00 0.00 34.95 35.25 3hk9 s ARG 86 CO 0.56 -0.21 1.30 -1.12 0.00 0.00 0.00 175.30 175.83 3hk9 s SER 87 N -1.80 6.88 -1.08 0.23 0.01 -1.26 -3.66 113.70 113.02 3hk9 s SER 87 Ca -0.08 2.49 -0.07 0.00 1.31 0.00 0.00 55.95 59.60 3hk9 s SER 87 Cb -0.03 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.50 3hk9 s SER 87 CO -0.01 -0.51 2.50 -0.81 0.41 0.00 0.00 173.24 174.83 3hk9 n PRO 88 N 1.96 2.62 0.14 12.44 -0.04 -1.22 -4.62 135.00 146.28 3hk9 n PRO 88 Ca 0.04 -1.65 0.12 0.00 -0.04 0.00 0.00 63.50 61.97 3hk9 n PRO 88 Cb 0.42 -2.52 0.24 0.00 -0.04 0.00 0.00 33.50 31.60 3hk9 n PRO 88 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3hk9 h VAL 89 N 3.15 0.00 -4.07 0.52 -1.51 -1.90 -3.23 116.25 109.20 3hk9 h VAL 89 Ca 0.60 -0.74 -0.50 0.00 -1.23 0.00 0.00 66.70 64.83 3hk9 h VAL 89 Cb 0.31 1.62 0.19 0.00 -2.13 0.00 0.00 31.29 31.27 3hk9 h VAL 89 CO 1.45 0.00 0.20 -0.94 -1.23 0.00 0.00 177.57 177.05 3hk9 s SER 90 N -5.22 2.82 0.16 4.19 1.04 -1.26 -4.73 113.70 110.70 3hk9 s SER 90 Ca 0.07 1.95 -0.15 0.00 0.48 0.00 0.00 55.95 58.31 3hk9 s SER 90 Cb 0.09 -2.48 0.05 0.00 0.10 0.00 0.00 66.02 63.78 3hk9 s SER 90 CO 0.66 -3.13 1.80 -0.08 0.98 0.00 0.00 173.24 173.48 3hk9 h GLU 91 N -1.89 0.66 -0.43 4.02 4.57 -1.97 -0.83 114.58 118.72 3hk9 h GLU 91 Ca -0.47 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 57.63 3hk9 h GLU 91 Cb 1.28 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.71 3hk9 h GLU 91 CO 0.46 0.47 0.18 0.00 -1.18 0.00 0.00 179.01 178.94 3hk9 h ALA 92 N 1.15 0.55 -0.54 2.92 0.00 -1.95 -0.52 119.26 120.87 3hk9 h ALA 92 Ca 0.18 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3hk9 h ALA 92 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3hk9 h ALA 92 CO -0.03 0.15 -0.12 0.00 0.00 0.00 0.00 179.25 179.25 3hk9 h ARG 94 N 0.92 1.30 -0.95 0.00 2.43 -0.98 -2.18 114.38 114.92 3hk9 h ARG 94 Ca 0.14 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3hk9 h ARG 94 Cb 0.69 -0.28 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 3hk9 h ARG 94 CO 0.05 0.88 0.63 0.78 -1.51 0.00 0.00 179.97 180.80 3hk9 h GLY 95 N 1.33 1.35 0.93 2.80 0.00 -0.71 -1.64 103.07 107.13 3hk9 h GLY 95 Ca 0.35 -0.49 0.02 0.00 0.00 0.00 0.00 47.33 47.21 3hk9 h GLY 95 CO -0.07 0.46 0.49 -2.08 0.00 0.00 0.00 176.54 175.35 3hk9 h VAL 96 N 1.26 1.15 -0.49 4.60 2.07 -1.07 -1.85 116.25 121.92 3hk9 h VAL 96 Ca 0.36 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 3hk9 h VAL 96 Cb -0.10 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.73 3hk9 h VAL 96 CO -0.09 0.18 -0.03 -0.07 0.02 0.00 0.00 177.57 177.58 3hk9 h LEU 97 N 0.98 0.87 -1.15 2.57 3.38 -1.24 -1.93 115.31 118.79 3hk9 h LEU 97 Ca 0.29 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3hk9 h LEU 97 Cb -0.05 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 3hk9 h LEU 97 CO -0.09 0.99 0.58 0.74 0.09 0.00 0.00 178.44 180.75 3hk9 h THR 98 N 0.74 1.10 0.26 0.22 2.02 -0.93 0.16 112.91 116.48 3hk9 h THR 98 Ca 0.13 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3hk9 h THR 98 Cb 0.56 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3hk9 h THR 98 CO 0.03 0.19 -0.13 0.00 0.37 0.00 0.00 175.52 175.99 3hk9 h LEU 100 N -0.59 -0.23 -0.55 0.00 3.38 -0.85 -1.27 115.31 115.20 3hk9 h LEU 100 Ca -0.04 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3hk9 h LEU 100 Cb 0.43 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3hk9 h LEU 100 CO 0.06 -0.07 0.23 -0.61 0.09 0.00 0.00 178.44 178.13 3hk9 h GLN 101 N 0.09 0.82 -0.01 1.13 4.15 -0.93 -0.41 115.11 119.94 3hk9 h GLN 101 Ca 0.22 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 3hk9 h GLN 101 Cb 0.33 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 3hk9 h GLN 101 CO -0.39 0.70 -0.05 0.78 -1.93 0.00 0.00 178.83 177.95 3hk9 h GLY 102 N 0.75 0.01 0.29 2.39 0.00 -0.09 -0.56 103.07 105.86 3hk9 h GLY 102 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3hk9 h GLY 102 CO -0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.57 3hk9 n LEU 103 N -4.48 0.41 0.00 3.11 4.77 -0.56 -4.86 117.00 115.39 3hk9 n LEU 103 Ca -0.03 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3hk9 n LEU 103 Cb 0.13 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3hk9 n LEU 103 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3hk9 n GLY 104 N 0.90 0.71 3.91 -0.72 0.00 -0.22 -5.06 105.19 104.72 3hk9 n GLY 104 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3hk9 n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hk9 s LEU 105 N 0.00 3.10 -0.38 0.99 1.43 -0.20 -5.00 118.68 118.62 3hk9 s LEU 105 Ca 0.00 0.78 -0.00 0.00 -1.03 0.00 0.00 54.13 53.88 3hk9 s LEU 105 Cb 0.00 -3.58 0.11 0.00 0.03 0.00 0.00 46.19 42.75 3hk9 s LEU 105 CO 0.00 -1.20 0.15 -0.62 0.23 0.00 0.00 176.35 174.90 3hk9 s ASP 106 N -4.35 5.06 0.61 2.29 2.15 -1.26 -4.07 116.67 117.10 3hk9 s ASP 106 Ca 0.56 -2.10 0.33 0.00 0.43 0.00 0.00 52.55 51.77 3hk9 s ASP 106 Cb -0.11 -1.75 1.96 0.00 -0.30 0.00 0.00 42.92 42.73 3hk9 s ASP 106 CO 0.47 -0.48 2.28 -0.65 -0.17 0.00 0.00 175.17 176.62 3hk9 h PRO 107 N 7.86 0.00 -0.53 4.34 0.11 -1.91 -2.61 132.00 139.26 3hk9 h PRO 107 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3hk9 h PRO 107 Cb 1.03 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3hk9 h PRO 107 CO 0.63 0.00 0.34 0.00 -0.21 0.00 0.00 178.00 178.76 3hk9 h ALA 108 N 2.00 1.60 0.00 -0.75 0.00 -2.01 -2.69 119.26 117.40 3hk9 h ALA 108 Ca -0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3hk9 h ALA 108 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3hk9 h ALA 108 CO 0.00 0.36 -0.69 1.79 0.00 0.00 0.00 179.25 180.72 3hk9 h THR 109 N 0.72 1.42 -1.86 0.00 1.35 -1.91 -3.47 112.91 109.16 3hk9 h THR 109 Ca 0.19 -2.41 -0.39 0.00 -0.55 0.00 0.00 66.41 63.26 3hk9 h THR 109 Cb -0.06 2.32 -0.08 0.00 -1.73 0.00 0.00 68.15 68.60 3hk9 h THR 109 CO -0.04 0.67 -0.43 0.54 -0.25 0.00 0.00 175.52 176.02 3hk9 n ARG 110 N -3.61 -1.43 -2.85 4.72 1.74 -1.02 -4.90 116.66 109.30 3hk9 n ARG 110 Ca -0.01 1.04 -0.44 0.00 -0.77 0.00 0.00 57.85 57.68 3hk9 n ARG 110 Cb 0.70 -5.48 -0.00 0.00 -1.02 0.00 0.00 32.46 26.65 3hk9 n ARG 110 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hk9 s ASP 111 N -2.45 6.96 0.40 0.55 -1.08 -1.26 -4.83 116.67 114.94 3hk9 s ASP 111 Ca 0.00 -2.72 0.10 0.00 -0.52 0.00 0.00 52.55 49.40 3hk9 s ASP 111 Cb 0.00 -2.44 0.89 0.00 -1.46 0.00 0.00 42.92 39.90 3hk9 s ASP 111 CO 0.00 -0.90 1.97 0.25 0.52 0.00 0.00 175.17 177.01 3hk9 h LEU 112 N 10.50 0.51 -0.93 -1.34 5.85 -1.98 -1.09 115.31 126.84 3hk9 h LEU 112 Ca 0.32 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.98 3hk9 h LEU 112 Cb 0.89 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3hk9 h LEU 112 CO 1.28 0.32 0.05 1.56 -0.34 0.00 0.00 178.44 181.32 3hk9 h GLN 113 N 0.58 0.84 -0.27 1.25 1.08 -2.00 -1.25 115.11 115.35 3hk9 h GLN 113 Ca 0.29 -0.21 -0.13 0.00 -1.45 0.00 0.00 58.65 57.15 3hk9 h GLN 113 Cb 0.39 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 3hk9 h GLN 113 CO -0.09 0.81 -0.38 0.28 -0.95 0.00 0.00 178.83 178.49 3hk9 h VAL 114 N 0.79 1.29 -0.70 -0.54 2.07 -1.63 -2.64 116.25 114.89 3hk9 h VAL 114 Ca 0.16 -1.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.07 3hk9 h VAL 114 Cb 0.40 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3hk9 h VAL 114 CO 0.01 0.49 0.16 1.88 0.02 0.00 0.00 177.57 180.13 3hk9 h TYR 115 N 0.51 1.19 -0.13 1.57 0.05 -0.91 -2.52 116.97 116.74 3hk9 h TYR 115 Ca 0.05 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.65 3hk9 h TYR 115 Cb 0.89 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 3hk9 h TYR 115 CO 0.04 0.97 -0.07 0.00 -1.05 0.00 0.00 178.16 178.05 3hk9 h ARG 116 N 1.07 0.19 -0.60 4.88 3.08 -1.04 -2.56 114.38 119.40 3hk9 h ARG 116 Ca 0.22 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 3hk9 h ARG 116 Cb 0.39 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3hk9 h ARG 116 CO 0.00 0.28 0.20 0.93 -1.07 0.00 0.00 179.97 180.31 3hk9 h GLU 117 N 0.19 0.89 -0.28 0.04 5.08 -1.09 -2.09 114.58 117.32 3hk9 h GLU 117 Ca 0.04 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3hk9 h GLU 117 Cb 0.26 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 3hk9 h GLU 117 CO 0.01 0.76 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.86 3hk9 h TYR 118 N 0.87 -0.02 -0.15 4.33 3.20 -1.39 -2.90 116.97 120.91 3hk9 h TYR 118 Ca 0.20 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.91 3hk9 h TYR 118 Cb 0.23 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 3hk9 h TYR 118 CO 0.02 -0.05 -0.65 0.74 -1.64 0.00 0.00 178.16 176.57 3hk9 h PHE 119 N 0.08 0.73 0.00 -3.82 0.04 -1.59 -3.20 116.94 109.17 3hk9 h PHE 119 Ca 0.13 -0.29 0.00 0.00 2.80 0.00 0.00 57.97 60.61 3hk9 h PHE 119 Cb 0.18 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.21 3hk9 h PHE 119 CO -0.22 1.06 0.01 0.00 -0.60 0.00 0.00 178.31 178.56 3hk9 h ALA 120 N 0.87 1.01 -0.57 2.45 0.00 -1.18 -2.38 119.26 119.46 3hk9 h ALA 120 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3hk9 h ALA 120 Cb 1.23 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 3hk9 h ALA 120 CO 0.12 -0.01 0.13 0.36 0.00 0.00 0.00 179.25 179.85 3hk9 n LYS 121 N -3.08 3.67 -4.14 0.00 2.85 -1.16 -4.97 118.16 111.33 3hk9 n LYS 121 Ca -0.03 -3.07 -0.11 0.00 -1.05 0.00 0.00 58.31 54.05 3hk9 n LYS 121 Cb 0.08 -2.12 -0.10 0.00 -0.65 0.00 0.00 35.03 32.23 3hk9 n LYS 121 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3hk9 s LYS 122 N -2.94 0.76 0.32 -1.58 1.02 -0.90 -5.11 119.74 111.31 3hk9 s LYS 122 Ca 0.52 -1.21 0.06 0.00 0.02 0.00 0.00 55.97 55.35 3hk9 s LYS 122 Cb 0.41 -0.19 -0.01 0.00 -0.52 0.00 0.00 37.83 37.52 3hk9 s LYS 122 CO 0.12 -0.01 0.46 0.95 -0.92 0.00 0.00 175.35 175.94 3hk9 s THR 123 N -3.20 4.34 0.23 2.17 -4.23 -1.26 -4.96 115.64 108.73 3hk9 s THR 123 Ca 0.07 -0.97 -0.06 0.00 -1.18 0.00 0.00 61.69 59.55 3hk9 s THR 123 Cb 0.02 -3.51 0.19 0.00 1.34 0.00 0.00 72.50 70.55 3hk9 s THR 123 CO -0.04 -0.21 1.83 0.28 -0.54 0.00 0.00 174.62 175.95 3hk9 h SER 124 N 0.93 0.74 -0.56 3.99 0.02 -1.97 -1.23 113.55 115.47 3hk9 h SER 124 Ca -0.47 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3hk9 h SER 124 Cb 1.25 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 3hk9 h SER 124 CO 0.55 0.47 0.36 -0.33 -1.14 0.00 0.00 176.83 176.74 3hk9 h GLU 125 N 0.87 0.74 -0.69 3.45 3.07 -1.95 -0.42 114.58 119.65 3hk9 h GLU 125 Ca 0.36 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.09 3hk9 h GLU 125 Cb 0.20 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 3hk9 h GLU 125 CO -0.18 0.50 0.14 0.93 -1.40 0.00 0.00 179.01 178.99 3hk9 h GLU 126 N 0.75 1.12 -0.35 2.33 5.08 -1.76 -2.28 114.58 119.47 3hk9 h GLU 126 Ca 0.20 -0.29 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 3hk9 h GLU 126 Cb -0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3hk9 h GLU 126 CO -0.04 1.01 -0.39 0.37 -1.00 0.00 0.00 179.01 178.95 3hk9 h GLN 127 N 1.05 0.84 -0.51 2.33 5.75 -0.86 -0.81 115.11 122.90 3hk9 h GLN 127 Ca 0.21 -0.44 -0.06 0.00 -0.15 0.00 0.00 58.65 58.21 3hk9 h GLN 127 Cb 0.41 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 3hk9 h GLN 127 CO 0.01 1.07 0.06 -0.24 -2.65 0.00 0.00 178.83 177.08 3hk9 h VAL 128 N 0.68 1.24 -0.39 2.39 3.04 -0.99 0.21 116.25 122.43 3hk9 h VAL 128 Ca 0.06 -0.92 -0.06 0.00 -1.01 0.00 0.00 66.70 64.76 3hk9 h VAL 128 Cb 0.96 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.00 3hk9 h VAL 128 CO 0.09 0.33 -0.00 0.44 -1.01 0.00 0.00 177.57 177.42 3hk9 h ASP 129 N 0.78 0.67 0.25 3.17 3.45 -1.21 -0.98 116.42 122.55 3hk9 h ASP 129 Ca 0.16 -0.31 -0.01 0.00 0.43 0.00 0.00 57.03 57.30 3hk9 h ASP 129 Cb 0.38 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 3hk9 h ASP 129 CO 0.01 0.82 -0.12 0.74 -1.57 0.00 0.00 179.24 179.12 3hk9 h THR 130 N 0.51 0.80 -0.32 0.35 2.02 -0.75 -2.79 112.91 112.72 3hk9 h THR 130 Ca 0.11 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3hk9 h THR 130 Cb 0.48 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3hk9 h THR 130 CO 0.02 0.08 0.17 0.58 0.37 0.00 0.00 175.52 176.74 3hk9 h VAL 131 N -0.54 1.14 0.00 3.16 2.07 -0.60 -0.71 116.25 120.78 3hk9 h VAL 131 Ca -0.03 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3hk9 h VAL 131 Cb 0.40 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3hk9 h VAL 131 CO 0.06 0.14 -0.10 -0.07 0.02 0.00 0.00 177.57 177.62 3hk9 h LEU 132 N 0.40 0.00 0.07 2.57 3.38 -1.25 0.34 115.31 120.82 3hk9 h LEU 132 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hk9 h LEU 132 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hk9 h LEU 132 CO -0.02 0.10 -0.03 -0.61 0.09 0.00 0.00 178.44 177.97 3hk9 h GLN 133 N 0.00 -0.09 -0.89 1.13 -0.00 -1.18 -0.95 115.11 113.13 3hk9 h GLN 133 Ca -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 3hk9 h GLN 133 Cb 0.20 0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.65 3hk9 h GLN 133 CO 0.01 0.48 0.53 -0.07 0.00 0.00 0.00 178.83 179.78 3hk9 h LEU 134 N -0.77 1.07 -0.23 -2.39 3.38 -0.70 -2.04 115.31 113.64 3hk9 h LEU 134 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hk9 h LEU 134 Cb 0.61 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hk9 h LEU 134 CO 0.02 0.83 -0.20 0.00 0.09 0.00 0.00 178.44 179.18 3hk9 n ALA 135 N -2.40 2.92 -3.88 1.53 0.00 0.12 -4.93 120.51 113.86 3hk9 n ALA 135 Ca 0.10 -0.29 -0.27 0.00 0.00 0.00 0.00 53.44 52.98 3hk9 n ALA 135 Cb 0.07 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.26 3hk9 n ALA 135 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hk9 n ASN 136 N -1.03 -2.27 -4.44 0.00 5.15 -0.48 -4.79 115.26 107.39 3hk9 n ASN 136 Ca 0.12 -0.87 -0.37 0.00 -0.60 0.00 0.00 54.58 52.85 3hk9 n ASN 136 Cb 0.31 -3.63 -0.12 0.00 -0.53 0.00 0.00 39.78 35.81 3hk9 n ASN 136 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hk9 s VAL 137 N -3.59 4.40 -0.07 3.44 1.01 -0.52 -0.73 120.40 124.33 3hk9 s VAL 137 Ca 0.28 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 3hk9 s VAL 137 Cb -0.14 -3.12 -0.27 0.00 0.00 0.00 0.00 36.38 32.84 3hk9 s VAL 137 CO 0.85 0.25 0.57 0.77 0.00 0.00 0.00 175.10 177.54 3hk9 h SER 138 N 8.27 0.42 -3.72 3.32 4.64 -1.31 -3.44 113.55 121.73 3hk9 h SER 138 Ca -0.36 -0.77 -0.44 0.00 -0.47 0.00 0.00 61.79 59.75 3hk9 h SER 138 Cb 1.16 -0.14 -0.32 0.00 -0.31 0.00 0.00 62.40 62.80 3hk9 h SER 138 CO 0.59 1.67 -0.79 -1.81 -0.87 0.00 0.00 176.83 175.62 3hk9 s ASP 139 N -6.99 1.29 -0.10 4.97 1.01 -1.11 -4.72 116.67 111.02 3hk9 s ASP 139 Ca -0.16 -0.20 0.03 0.00 0.71 0.00 0.00 52.55 52.93 3hk9 s ASP 139 Cb 0.06 -0.42 -0.01 0.00 1.01 0.00 0.00 42.92 43.57 3hk9 s ASP 139 CO 0.81 0.05 -0.20 -0.69 0.21 0.00 0.00 175.17 175.35 3hk9 s VAL 140 N 0.35 2.46 -0.23 -1.27 1.01 -0.08 -0.55 120.40 122.08 3hk9 s VAL 140 Ca -0.06 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 3hk9 s VAL 140 Cb -0.10 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3hk9 s VAL 140 CO 0.01 0.55 0.11 -0.69 0.00 0.00 0.00 175.10 175.08 3hk9 s VAL 141 N 0.15 4.83 0.81 2.92 1.01 0.26 -0.35 120.40 130.03 3hk9 s VAL 141 Ca -0.11 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 3hk9 s VAL 141 Cb -0.16 -3.24 0.16 0.00 0.00 0.00 0.00 36.38 33.14 3hk9 s VAL 141 CO 0.06 0.36 1.12 -0.04 0.00 0.00 0.00 175.10 176.60 3hk9 s MET 142 N 1.17 1.27 -0.29 2.72 -1.94 0.82 -1.33 119.30 121.73 3hk9 s MET 142 Ca 0.06 -0.87 0.02 0.00 -1.71 0.00 0.00 55.69 53.18 3hk9 s MET 142 Cb -0.14 -2.15 0.08 0.00 2.01 0.00 0.00 34.83 34.63 3hk9 s MET 142 CO 0.04 -1.82 0.00 0.99 -0.01 0.00 0.00 175.02 174.22 3hk9 s THR 143 N -3.42 1.74 -0.33 2.05 2.01 -1.17 -3.57 115.64 112.94 3hk9 s THR 143 Ca 0.69 -1.68 -0.05 0.00 0.31 0.00 0.00 61.69 60.96 3hk9 s THR 143 Cb -0.05 -2.13 0.04 0.00 0.01 0.00 0.00 72.50 70.37 3hk9 s THR 143 CO 0.48 -0.36 0.08 0.20 -0.69 0.00 0.00 174.62 174.33 3hk9 s ASN 144 N 1.23 5.23 -0.48 3.53 -0.87 -0.50 -4.96 114.94 118.12 3hk9 s ASN 144 Ca 0.02 -1.16 -0.13 0.00 -1.57 0.00 0.00 52.86 50.02 3hk9 s ASN 144 Cb -0.19 -1.84 0.10 0.00 -0.02 0.00 0.00 41.25 39.31 3hk9 s ASN 144 CO -0.10 -0.31 0.39 -0.62 -2.57 0.00 0.00 177.10 173.89 3hk9 s ASP 145 N 1.37 5.97 0.59 -1.22 2.15 -1.26 -1.93 116.67 122.35 3hk9 s ASP 145 Ca -0.02 -1.61 0.40 0.00 0.43 0.00 0.00 52.55 51.75 3hk9 s ASP 145 Cb -0.20 -2.12 2.13 0.00 -0.30 0.00 0.00 42.92 42.44 3hk9 s ASP 145 CO 0.02 -0.70 2.22 1.55 -0.17 0.00 0.00 175.17 178.09 3hk9 h PRO 146 N 8.66 0.00 0.00 4.34 0.13 -1.95 -1.47 132.00 141.72 3hk9 h PRO 146 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3hk9 h PRO 146 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3hk9 h PRO 146 CO 0.90 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.86 3hk9 n PHE 147 N -2.92 0.46 -2.90 1.56 3.72 -1.26 -4.39 117.46 111.72 3hk9 n PHE 147 Ca -0.02 0.14 -0.41 0.00 -0.05 0.00 0.00 57.45 57.10 3hk9 n PHE 147 Cb 0.08 -0.73 -0.04 0.00 -0.94 0.00 0.00 39.48 37.86 3hk9 n PHE 147 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3hk9 s ASP 148 N -3.74 7.03 0.15 4.37 2.15 -0.55 -4.96 116.67 121.12 3hk9 s ASP 148 Ca 0.11 1.25 -0.16 0.00 0.43 0.00 0.00 52.55 54.18 3hk9 s ASP 148 Cb 0.15 -2.46 0.03 0.00 -0.30 0.00 0.00 42.92 40.34 3hk9 s ASP 148 CO 0.53 -0.30 1.78 0.44 -0.17 0.00 0.00 175.17 177.45 3hk9 h ASP 149 N 7.10 0.29 -0.49 -0.34 3.32 -1.87 0.95 116.42 125.36 3hk9 h ASP 149 Ca -0.34 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 3hk9 h ASP 149 Cb 1.16 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 3hk9 h ASP 149 CO 0.80 0.21 0.15 0.78 -1.72 0.00 0.00 179.24 179.46 3hk9 h ASN 150 N 0.39 0.76 0.01 6.45 2.35 -1.95 -2.28 115.58 121.31 3hk9 h ASN 150 Ca 0.15 -0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 3hk9 h ASN 150 Cb 0.05 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.23 3hk9 h ASN 150 CO -0.10 0.74 -0.47 -0.33 -1.65 0.00 0.00 177.43 175.62 3hk9 h GLU 151 N 0.80 0.31 0.03 0.81 5.08 -1.76 -3.25 114.58 116.59 3hk9 h GLU 151 Ca 0.18 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3hk9 h GLU 151 Cb 0.26 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3hk9 h GLU 151 CO -0.01 1.04 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.80 3hk9 h ARG 152 N -0.28 -0.26 -0.96 2.33 2.43 -0.76 -2.40 114.38 114.49 3hk9 h ARG 152 Ca -0.06 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.31 3hk9 h ARG 152 Cb 1.21 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.73 3hk9 h ARG 152 CO 0.09 -0.17 0.61 0.82 -1.51 0.00 0.00 179.97 179.81 3hk9 h ILE 153 N -0.26 0.74 -0.32 1.20 2.04 -1.54 -0.37 117.51 119.00 3hk9 h ILE 153 Ca 0.04 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3hk9 h ILE 153 Cb 0.31 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3hk9 h ILE 153 CO -0.12 0.12 0.14 0.28 0.00 0.00 0.00 178.15 178.56 3hk9 h SER 154 N 0.67 0.43 -0.35 1.72 0.02 -1.47 -1.71 113.55 112.85 3hk9 h SER 154 Ca 0.51 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 61.21 3hk9 h SER 154 Cb 0.92 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 3hk9 h SER 154 CO -0.27 0.47 -0.17 -0.50 -1.14 0.00 0.00 176.83 175.21 3hk9 h TRP 155 N 0.37 0.86 0.00 3.45 4.06 -1.01 -1.74 115.95 121.94 3hk9 h TRP 155 Ca 0.11 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 60.84 3hk9 h TRP 155 Cb 0.16 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 28.13 3hk9 h TRP 155 CO -0.01 0.94 -0.04 -0.07 -3.56 0.00 0.00 178.44 175.70 3hk9 h LEU 156 N 0.53 0.00 -4.00 -4.49 3.38 -1.05 -2.71 115.31 106.96 3hk9 h LEU 156 Ca 0.08 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.46 3hk9 h LEU 156 Cb 0.72 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.16 3hk9 h LEU 156 CO 0.05 0.04 0.75 -0.62 0.09 0.00 0.00 178.44 178.75 3hk9 n GLU 157 N -3.22 2.43 0.00 1.13 1.02 -0.65 -4.92 120.64 116.43 3hk9 n GLU 157 Ca -0.01 -3.13 0.00 0.00 -0.02 0.00 0.00 57.16 54.00 3hk9 n GLU 157 Cb 0.23 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 3hk9 n GLU 157 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hk9 n GLY 158 N -1.05 2.63 3.68 0.62 0.00 -1.02 -5.01 105.19 105.04 3hk9 n GLY 158 Ca 0.61 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 46.18 3hk9 n GLY 158 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hk9 n LYS 159 N -2.00 2.36 -4.03 1.61 4.76 -0.67 -4.99 118.16 115.19 3hk9 n LYS 159 Ca 0.00 0.85 -0.15 0.00 -2.87 0.00 0.00 58.31 56.14 3hk9 n LYS 159 Cb 0.00 -2.65 -0.15 0.00 -1.84 0.00 0.00 35.03 30.39 3hk9 n LYS 159 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3hk9 s GLN 160 N 1.15 0.31 0.60 1.97 -1.52 -1.26 -4.59 119.66 116.33 3hk9 s GLN 160 Ca 0.78 -0.08 -0.17 0.00 -1.95 0.00 0.00 55.36 53.94 3hk9 s GLN 160 Cb -0.62 -0.35 -0.03 0.00 -0.22 0.00 0.00 33.01 31.79 3hk9 s GLN 160 CO 0.37 0.02 1.13 -1.25 -0.25 0.00 0.00 175.29 175.30 3hk9 s PRO 161 N 0.23 3.04 0.93 2.91 0.04 -1.26 -4.95 135.00 135.93 3hk9 s PRO 161 Ca -0.02 1.54 -0.13 0.00 0.04 0.00 0.00 61.00 62.43 3hk9 s PRO 161 Cb -0.05 -1.97 0.15 0.00 0.04 0.00 0.00 34.50 32.67 3hk9 s PRO 161 CO -0.00 -1.09 1.14 0.16 0.04 0.00 0.00 177.00 177.25 3hk9 s ASP 162 N -2.11 3.36 0.64 6.66 1.47 -1.26 -4.86 116.67 120.56 3hk9 s ASP 162 Ca 0.71 0.92 0.23 0.00 1.18 0.00 0.00 52.55 55.59 3hk9 s ASP 162 Cb -0.23 -1.45 1.20 0.00 -0.34 0.00 0.00 42.92 42.10 3hk9 s ASP 162 CO 0.34 -2.64 1.67 -1.28 0.68 0.00 0.00 175.17 173.94 3hk9 h SER 163 N -1.56 0.00 1.28 2.11 0.87 -2.01 -0.88 113.55 113.36 3hk9 h SER 163 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 3hk9 h SER 163 Cb 1.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 3hk9 h SER 163 CO 0.59 0.00 -0.45 0.03 -0.53 0.00 0.00 176.83 176.48 3hk9 h ARG 164 N 0.00 0.00 -5.76 2.24 3.08 -1.90 -3.46 114.38 108.58 3hk9 h ARG 164 Ca 0.09 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.47 3hk9 h ARG 164 Cb 1.25 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 31.09 3hk9 h ARG 164 CO -0.00 0.00 -0.69 -0.06 -1.07 0.00 0.00 179.97 178.15 3hk9 s PHE 165 N -3.21 2.95 0.06 3.04 0.08 -0.34 -0.91 117.98 119.66 3hk9 s PHE 165 Ca 0.06 -0.16 0.09 0.00 0.12 0.00 0.00 56.93 57.03 3hk9 s PHE 165 Cb 0.10 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 3hk9 s PHE 165 CO 0.70 0.15 -0.24 -1.01 -0.10 0.00 0.00 175.22 174.72 3hk9 s HIS 166 N -0.28 2.11 0.36 0.36 3.76 0.53 -4.61 115.29 117.53 3hk9 s HIS 166 Ca 0.04 -0.40 -0.10 0.00 -0.15 0.00 0.00 55.06 54.46 3hk9 s HIS 166 Cb -0.13 -1.24 -0.06 0.00 1.11 0.00 0.00 32.58 32.26 3hk9 s HIS 166 CO 0.02 0.15 0.71 0.00 -0.85 0.00 0.00 174.74 174.77 3hk9 s ALA 167 N -0.86 3.42 -0.04 -1.40 0.00 -1.26 -0.12 121.76 121.49 3hk9 s ALA 167 Ca 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 3hk9 s ALA 167 Cb -0.10 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.45 3hk9 s ALA 167 CO 0.03 0.09 0.06 0.00 0.00 0.00 0.00 175.76 175.94 3hk9 s ALA 168 N -2.25 0.22 -0.66 0.00 0.00 -1.23 -1.11 121.76 116.72 3hk9 s ALA 168 Ca 0.50 0.20 -0.27 0.00 0.00 0.00 0.00 51.96 52.38 3hk9 s ALA 168 Cb -0.10 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.43 3hk9 s ALA 168 CO 0.29 -0.47 1.42 -1.17 0.00 0.00 0.00 175.76 175.83 3hk9 s LEU 169 N 2.11 3.26 -0.17 0.00 2.96 -0.67 -1.41 118.68 124.75 3hk9 s LEU 169 Ca 0.04 -0.09 -0.24 0.00 -0.22 0.00 0.00 54.13 53.62 3hk9 s LEU 169 Cb -0.12 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 3hk9 s LEU 169 CO -0.03 -1.89 0.76 -0.60 -1.32 0.00 0.00 176.35 173.27 3hk9 s ARG 170 N 5.88 4.28 -0.21 1.98 6.06 -0.81 -0.38 118.95 135.76 3hk9 s ARG 170 Ca 0.46 0.89 0.11 0.00 -2.50 0.00 0.00 55.73 54.69 3hk9 s ARG 170 Cb -0.09 -3.57 0.42 0.00 0.06 0.00 0.00 34.95 31.76 3hk9 s ARG 170 CO 0.19 -0.27 1.22 1.28 -2.50 0.00 0.00 175.30 175.21 3hk9 n LEU 171 N 5.07 2.69 -0.16 -0.88 4.77 0.48 -4.42 117.00 124.55 3hk9 n LEU 171 Ca 0.02 -3.87 -0.02 0.00 -0.03 0.00 0.00 56.01 52.11 3hk9 n LEU 171 Cb 0.49 -0.52 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 3hk9 n LEU 171 CO 0.47 1.38 0.87 0.44 -1.33 0.00 0.00 177.39 179.22 3hk9 h ASP 172 N 0.97 -0.12 -0.93 -1.43 5.19 -1.93 -1.72 116.42 116.45 3hk9 h ASP 172 Ca -0.00 0.11 0.01 0.00 -0.62 0.00 0.00 57.03 56.52 3hk9 h ASP 172 Cb 1.01 0.17 -0.05 0.00 0.18 0.00 0.00 39.33 40.64 3hk9 h ASP 172 CO 0.00 -0.03 0.60 -0.65 -3.12 0.00 0.00 179.24 176.04 3hk9 h PRO 173 N 0.16 1.23 -0.06 3.56 0.11 -1.95 0.44 132.00 135.49 3hk9 h PRO 173 Ca 0.25 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 3hk9 h PRO 173 Cb 0.37 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 3hk9 h PRO 173 CO -0.38 0.83 -0.05 1.25 -0.21 0.00 0.00 178.00 179.44 3hk9 h LEU 174 N 1.26 0.15 -0.14 2.35 5.85 -1.79 -1.59 115.31 121.41 3hk9 h LEU 174 Ca 0.34 -0.45 -0.22 0.00 0.84 0.00 0.00 57.88 58.39 3hk9 h LEU 174 Cb -0.12 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3hk9 h LEU 174 CO -0.07 0.57 -0.98 -0.07 -0.34 0.00 0.00 178.44 177.55 3hk9 h LEU 175 N -0.26 0.25 0.00 2.25 4.07 -1.28 -3.22 115.31 117.11 3hk9 h LEU 175 Ca 0.01 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.75 3hk9 h LEU 175 Cb 0.52 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.18 3hk9 h LEU 175 CO 0.01 1.09 -1.53 0.59 -1.08 0.00 0.00 178.44 177.52 3hk9 n ASN 176 N -3.57 0.95 -2.64 -0.43 3.02 0.14 -3.75 115.26 108.97 3hk9 n ASN 176 Ca -0.04 -0.24 -0.09 0.00 -0.03 0.00 0.00 54.58 54.18 3hk9 n ASN 176 Cb 0.88 1.59 0.03 0.00 -0.61 0.00 0.00 39.78 41.67 3hk9 n ASN 176 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hk9 n GLU 177 N -1.92 1.93 -0.23 3.52 1.02 -0.60 -4.94 120.64 119.42 3hk9 n GLU 177 Ca -0.01 -3.60 0.02 0.00 -0.02 0.00 0.00 57.16 53.54 3hk9 n GLU 177 Cb 0.40 -1.63 0.14 0.00 -0.02 0.00 0.00 31.44 30.33 3hk9 n GLU 177 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3hk9 h TYR 178 N 2.68 0.49 -1.01 -0.32 3.20 -1.55 0.45 116.97 120.90 3hk9 h TYR 178 Ca -0.02 0.03 0.28 0.00 3.14 0.00 0.00 58.73 62.16 3hk9 h TYR 178 Cb 1.24 -0.12 -0.13 0.00 1.54 0.00 0.00 36.73 39.26 3hk9 h TYR 178 CO 0.57 0.12 0.60 0.93 -1.64 0.00 0.00 178.16 178.74 3hk9 h GLU 179 N 0.47 0.46 0.06 1.82 4.39 -1.91 0.45 114.58 120.33 3hk9 h GLU 179 Ca 0.35 -0.03 -0.28 0.00 0.34 0.00 0.00 59.36 59.74 3hk9 h GLU 179 Cb 0.46 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3hk9 h GLU 179 CO -0.33 0.30 -1.53 1.96 -1.16 0.00 0.00 179.01 178.26 3hk9 h GLN 180 N 0.47 0.14 0.00 2.33 4.20 -1.76 -3.39 115.11 117.10 3hk9 h GLN 180 Ca 0.68 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 59.14 3hk9 h GLN 180 Cb 1.43 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.29 3hk9 h GLN 180 CO -0.50 1.11 -0.08 1.15 -0.67 0.00 0.00 178.83 179.84 3hk9 h THR 181 N -0.51 1.01 -0.19 -0.54 2.02 -0.22 -2.59 112.91 111.88 3hk9 h THR 181 Ca -0.36 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 66.57 3hk9 h THR 181 Cb 1.63 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 3hk9 h THR 181 CO -0.06 0.08 0.13 0.07 0.37 0.00 0.00 175.52 176.11 3hk9 h LYS 182 N 0.00 0.13 -0.33 6.66 2.10 -0.31 -0.49 116.57 124.34 3hk9 h LYS 182 Ca -0.00 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.55 3hk9 h LYS 182 Cb 0.14 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.43 3hk9 h LYS 182 CO 0.01 0.08 -0.18 0.45 -2.00 0.00 0.00 179.45 177.81 3hk9 h HIS 183 N 0.13 0.67 -0.25 0.07 3.86 -1.70 -2.38 115.15 115.55 3hk9 h HIS 183 Ca 0.08 -0.13 -0.17 0.00 -1.16 0.00 0.00 60.37 59.00 3hk9 h HIS 183 Cb 0.17 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 3hk9 h HIS 183 CO -0.00 0.75 -0.52 0.00 0.86 0.00 0.00 177.93 179.02 3hk9 h ARG 184 N 0.54 0.72 -0.50 2.45 3.08 -1.25 -1.60 114.38 117.82 3hk9 h ARG 184 Ca 0.09 -0.44 0.06 0.00 0.07 0.00 0.00 59.98 59.76 3hk9 h ARG 184 Cb 0.62 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.66 3hk9 h ARG 184 CO 0.04 1.06 0.19 -0.07 -1.07 0.00 0.00 179.97 180.13 3hk9 h LEU 185 N 0.56 0.21 -0.89 3.04 3.38 -0.90 -0.18 115.31 120.53 3hk9 h LEU 185 Ca 0.02 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3hk9 h LEU 185 Cb 1.09 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 3hk9 h LEU 185 CO 0.11 0.15 -0.56 0.08 0.09 0.00 0.00 178.44 178.31 3hk9 h ARG 186 N 0.38 0.00 0.00 1.13 0.11 -1.31 0.11 114.38 114.79 3hk9 h ARG 186 Ca 0.24 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.30 3hk9 h ARG 186 Cb 0.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.31 3hk9 h ARG 186 CO -0.23 0.56 -0.10 -0.44 0.10 0.00 0.00 179.97 179.86 3hk9 h ASP 187 N 0.00 0.00 -0.72 0.08 3.32 -0.13 -2.39 116.42 116.58 3hk9 h ASP 187 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hk9 h ASP 187 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3hk9 h ASP 187 CO 0.07 0.10 0.00 0.79 -1.72 0.00 0.00 179.24 178.48 3hk9 n TRP 188 N -3.42 0.96 -0.18 4.55 8.01 -0.23 -4.94 117.44 122.20 3hk9 n TRP 188 Ca -0.01 -0.48 0.00 0.00 -1.31 0.00 0.00 57.50 55.70 3hk9 n TRP 188 Cb 0.26 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.56 3hk9 n TRP 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hk9 n GLY 189 N 1.68 0.80 3.47 6.99 0.00 -0.90 -5.05 105.19 112.18 3hk9 n GLY 189 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 3hk9 n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hk9 s TYR 190 N -2.12 3.13 -0.51 1.61 2.02 0.29 -4.96 117.35 116.81 3hk9 s TYR 190 Ca 0.00 -0.41 -0.05 0.00 -0.37 0.00 0.00 57.07 56.24 3hk9 s TYR 190 Cb 0.00 -3.15 -0.10 0.00 -0.40 0.00 0.00 41.96 38.31 3hk9 s TYR 190 CO 0.00 -0.82 2.19 1.63 -1.57 0.00 0.00 175.55 176.98 3hk9 n LYS 191 N 5.82 1.67 -2.45 -0.62 4.76 -1.26 -2.91 118.16 123.16 3hk9 n LYS 191 Ca -0.07 -1.06 -0.41 0.00 -2.87 0.00 0.00 58.31 53.90 3hk9 n LYS 191 Cb 0.47 -2.15 -0.03 0.00 -1.84 0.00 0.00 35.03 31.47 3hk9 n LYS 191 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3hk9 s VAL 192 N 2.71 3.91 0.63 -0.18 -7.23 -1.26 -4.50 120.40 114.47 3hk9 s VAL 192 Ca 0.39 1.50 -0.01 0.00 -1.81 0.00 0.00 61.98 62.05 3hk9 s VAL 192 Cb 0.14 -3.96 0.06 0.00 0.56 0.00 0.00 36.38 33.18 3hk9 s VAL 192 CO -0.02 0.19 0.89 0.20 -0.31 0.00 0.00 175.10 176.05 3hk9 s ASN 193 N 0.48 4.92 0.15 4.85 0.01 -1.26 -4.93 114.94 119.16 3hk9 s ASN 193 Ca 0.54 -0.00 -0.12 0.00 -0.71 0.00 0.00 52.86 52.57 3hk9 s ASN 193 Cb -0.30 -0.70 0.03 0.00 0.41 0.00 0.00 41.25 40.69 3hk9 s ASN 193 CO 0.33 -1.44 1.62 0.44 -1.51 0.00 0.00 177.10 176.54 3hk9 h ASP 194 N -0.24 0.83 -2.81 -1.22 5.19 -2.02 -3.43 116.42 112.71 3hk9 h ASP 194 Ca -0.41 -0.28 -0.56 0.00 -0.62 0.00 0.00 57.03 55.16 3hk9 h ASP 194 Cb 1.29 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.55 3hk9 h ASP 194 CO 0.51 0.90 -0.40 -1.83 -3.12 0.00 0.00 179.24 175.30 3hk9 s GLU 195 N -5.12 3.49 -1.14 3.56 -1.05 -1.26 -5.00 118.70 112.18 3hk9 s GLU 195 Ca -0.13 -0.40 -0.21 0.00 -0.15 0.00 0.00 54.97 54.08 3hk9 s GLU 195 Cb 0.12 -2.91 0.01 0.00 -0.44 0.00 0.00 34.13 30.91 3hk9 s GLU 195 CO 0.81 0.48 1.73 -0.46 0.95 0.00 0.00 175.26 178.77 3hk9 s TRP 196 N -1.74 2.39 0.56 4.83 -0.00 -1.26 -4.74 118.94 118.97 3hk9 s TRP 196 Ca 0.37 -0.63 0.05 0.00 -0.00 0.00 0.00 56.10 55.90 3hk9 s TRP 196 Cb -0.11 -4.47 0.05 0.00 -0.00 0.00 0.00 33.47 28.93 3hk9 s TRP 196 CO 0.28 -1.71 0.42 0.54 -0.00 0.00 0.00 176.95 176.48 3hk9 s ASN 197 N 5.49 4.61 0.57 5.86 2.20 -1.26 -4.98 114.94 127.43 3hk9 s ASN 197 Ca 0.57 -1.29 0.25 0.00 -0.94 0.00 0.00 52.86 51.45 3hk9 s ASN 197 Cb 0.00 0.54 1.61 0.00 -2.00 0.00 0.00 41.25 41.40 3hk9 s ASN 197 CO 0.03 -1.17 2.18 -0.08 -2.94 0.00 0.00 177.10 175.12 3hk9 h GLU 198 N 0.69 0.00 -0.18 3.55 4.57 -2.00 -2.01 114.58 119.21 3hk9 h GLU 198 Ca -0.36 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.67 3hk9 h GLU 198 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3hk9 h GLU 198 CO 0.56 0.00 -0.47 0.78 -1.18 0.00 0.00 179.01 178.71 3hk9 h GLY 199 N 0.00 0.69 0.90 1.92 0.00 -1.94 -2.40 103.07 102.25 3hk9 h GLY 199 Ca 0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 3hk9 h GLY 199 CO -0.00 0.78 0.09 1.76 0.00 0.00 0.00 176.54 179.16 3hk9 h SER 200 N 0.30 0.27 -0.41 0.19 0.02 -1.62 -1.68 113.55 110.63 3hk9 h SER 200 Ca -0.01 -0.14 0.06 0.00 -0.84 0.00 0.00 61.79 60.86 3hk9 h SER 200 Cb 1.08 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 3hk9 h SER 200 CO 0.10 0.34 0.10 0.40 -1.14 0.00 0.00 176.83 176.63 3hk9 h ILE 201 N 0.19 0.81 -0.44 3.27 2.04 -1.44 0.18 117.51 122.12 3hk9 h ILE 201 Ca 0.07 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 3hk9 h ILE 201 Cb 0.15 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3hk9 h ILE 201 CO -0.01 0.04 -0.10 1.56 0.00 0.00 0.00 178.15 179.65 3hk9 h GLN 202 N 0.24 0.79 -0.08 2.37 1.08 -1.30 -1.61 115.11 116.59 3hk9 h GLN 202 Ca 0.20 -0.26 -0.15 0.00 -1.45 0.00 0.00 58.65 56.99 3hk9 h GLN 202 Cb 0.22 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3hk9 h GLN 202 CO -0.24 0.86 -0.62 0.93 -0.95 0.00 0.00 178.83 178.81 3hk9 h GLU 203 N 0.71 0.30 -0.44 1.46 4.39 -0.81 -0.73 114.58 119.47 3hk9 h GLU 203 Ca 0.12 -0.21 -0.13 0.00 0.34 0.00 0.00 59.36 59.48 3hk9 h GLU 203 Cb 0.57 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3hk9 h GLU 203 CO 0.04 0.83 -0.23 0.28 -1.16 0.00 0.00 179.01 178.76 3hk9 h VAL 204 N 0.22 1.27 -0.61 3.13 2.07 -0.79 -1.48 116.25 120.06 3hk9 h VAL 204 Ca -0.01 -1.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.09 3hk9 h VAL 204 Cb 1.14 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 3hk9 h VAL 204 CO 0.10 0.47 0.24 0.11 0.02 0.00 0.00 177.57 178.52 3hk9 h LYS 205 N 0.78 0.91 -0.37 1.57 1.57 -1.07 -2.06 116.57 117.91 3hk9 h LYS 205 Ca 0.10 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3hk9 h LYS 205 Cb 0.79 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 3hk9 h LYS 205 CO 0.07 0.78 0.13 0.00 -0.57 0.00 0.00 179.45 179.85 3hk9 h ARG 206 N 0.85 0.28 -0.33 3.15 3.08 -0.83 0.18 114.38 120.75 3hk9 h ARG 206 Ca 0.20 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.31 3hk9 h ARG 206 Cb 0.20 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 3hk9 h ARG 206 CO -0.02 0.18 -0.10 0.35 -1.07 0.00 0.00 179.97 179.31 3hk9 h PHE 207 N 0.28 -0.23 0.08 3.04 3.57 -0.91 0.66 116.94 123.44 3hk9 h PHE 207 Ca 0.17 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3hk9 h PHE 207 Cb 0.14 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.03 3hk9 h PHE 207 CO -0.14 -0.17 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.66 3hk9 h LEU 208 N -0.03 -0.10 -0.85 0.59 3.38 -0.72 -2.13 115.31 115.45 3hk9 h LEU 208 Ca 0.16 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3hk9 h LEU 208 Cb 0.27 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3hk9 h LEU 208 CO -0.36 0.04 0.56 0.74 0.09 0.00 0.00 178.44 179.51 3hk9 h THR 209 N -0.22 1.22 -0.16 0.22 2.02 -0.28 0.14 112.91 115.84 3hk9 h THR 209 Ca -0.01 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 66.78 3hk9 h THR 209 Cb 0.19 -0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.54 3hk9 h THR 209 CO 0.02 0.22 -0.06 0.44 0.37 0.00 0.00 175.52 176.50 3hk9 h ASP 210 N 1.16 -0.22 0.59 4.18 3.32 0.50 -1.16 116.42 124.78 3hk9 h ASP 210 Ca 0.31 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.32 3hk9 h ASP 210 Cb -0.12 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3hk9 h ASP 210 CO -0.07 -0.09 -0.48 -0.50 -1.72 0.00 0.00 179.24 176.39 3hk9 h TRP 211 N -0.04 0.00 -0.70 4.55 4.06 -0.92 -1.72 115.95 121.18 3hk9 h TRP 211 Ca 0.09 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.97 3hk9 h TRP 211 Cb 0.17 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.30 3hk9 h TRP 211 CO -0.21 0.48 0.18 0.82 -3.56 0.00 0.00 178.44 176.15 3hk9 h ILE 212 N 0.00 1.26 -0.23 1.49 2.04 -0.27 0.79 117.51 122.59 3hk9 h ILE 212 Ca -0.00 -0.95 -0.14 0.00 1.00 0.00 0.00 64.86 64.76 3hk9 h ILE 212 Cb 0.90 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3hk9 h ILE 212 CO 0.06 0.37 -0.45 -0.33 0.00 0.00 0.00 178.15 177.80 3hk9 h GLU 213 N 1.05 0.57 0.01 2.37 5.08 -0.89 0.71 114.58 123.48 3hk9 h GLU 213 Ca 0.22 -0.32 -0.20 0.00 -1.00 0.00 0.00 59.36 58.07 3hk9 h GLU 213 Cb 0.36 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3hk9 h GLU 213 CO 0.00 0.91 -0.95 -0.09 -1.00 0.00 0.00 179.01 177.89 3hk9 h ARG 214 N 0.46 0.02 0.00 2.33 2.43 -1.04 -3.36 114.38 115.21 3hk9 h ARG 214 Ca 0.03 -0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 58.91 3hk9 h ARG 214 Cb 0.97 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.48 3hk9 h ARG 214 CO 0.09 0.95 -2.15 -1.33 -1.51 0.00 0.00 179.97 176.01 3hk9 n MET 215 N -3.44 1.01 -3.71 0.20 2.81 0.25 -5.01 117.12 109.22 3hk9 n MET 215 Ca -0.01 -0.04 -0.25 0.00 -1.81 0.00 0.00 57.70 55.59 3hk9 n MET 215 Cb 0.89 -1.45 0.03 0.00 -0.71 0.00 0.00 33.22 31.97 3hk9 n MET 215 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3hk9 n ASP 216 N -2.56 -2.95 -4.76 7.83 2.03 0.25 -4.59 116.55 111.80 3hk9 n ASP 216 Ca -0.24 -0.93 -0.36 0.00 0.52 0.00 0.00 54.79 53.78 3hk9 n ASP 216 Cb 0.97 -3.68 0.03 0.00 -0.72 0.00 0.00 41.12 37.72 3hk9 n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3hk9 s PRO 217 N -5.98 3.14 0.34 -0.67 0.04 -1.26 -4.65 135.00 125.96 3hk9 s PRO 217 Ca 0.21 1.87 0.18 0.00 0.04 0.00 0.00 61.00 63.30 3hk9 s PRO 217 Cb -0.07 -2.05 0.23 0.00 0.04 0.00 0.00 34.50 32.64 3hk9 s PRO 217 CO 0.84 -1.08 1.53 -0.39 0.04 0.00 0.00 177.00 177.94 3hk9 h VAL 218 N 1.14 0.60 -2.34 -0.36 -1.51 -1.47 -3.47 116.25 108.83 3hk9 h VAL 218 Ca -0.50 -1.78 0.12 0.00 -1.23 0.00 0.00 66.70 63.31 3hk9 h VAL 218 Cb 1.29 2.25 -0.13 0.00 -2.13 0.00 0.00 31.29 32.57 3hk9 h VAL 218 CO 0.56 0.33 0.47 -0.72 -1.23 0.00 0.00 177.57 176.99 3hk9 s TYR 219 N -3.09 -0.28 -0.11 5.19 -0.85 -1.26 -4.22 117.35 112.72 3hk9 s TYR 219 Ca 0.04 0.09 -0.04 0.00 -0.52 0.00 0.00 57.07 56.64 3hk9 s TYR 219 Cb 0.07 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.95 3hk9 s TYR 219 CO 0.71 -0.66 0.07 -1.64 -1.52 0.00 0.00 175.55 172.51 3hk9 s MET 220 N -3.21 3.25 0.12 -3.49 -1.94 -0.61 -1.67 119.30 111.73 3hk9 s MET 220 Ca 0.07 -0.28 0.01 0.00 -1.71 0.00 0.00 55.69 53.78 3hk9 s MET 220 Cb -0.01 -3.00 -0.04 0.00 2.01 0.00 0.00 34.83 33.79 3hk9 s MET 220 CO -0.05 0.72 -0.02 0.00 -0.01 0.00 0.00 175.02 175.65 3hk9 s ALA 221 N -0.88 1.00 -0.08 3.03 0.00 0.49 0.92 121.76 126.24 3hk9 s ALA 221 Ca 0.14 -1.42 -0.30 0.00 0.00 0.00 0.00 51.96 50.37 3hk9 s ALA 221 Cb -0.12 0.39 0.07 0.00 0.00 0.00 0.00 23.12 23.47 3hk9 s ALA 221 CO 0.03 -0.32 0.71 0.54 0.00 0.00 0.00 175.76 176.72 3hk9 s VAL 222 N -3.74 0.00 -0.11 0.00 0.11 -0.80 -0.38 120.40 115.47 3hk9 s VAL 222 Ca 0.16 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.18 3hk9 s VAL 222 Cb 0.06 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 3hk9 s VAL 222 CO -0.02 0.00 0.02 -0.94 -3.33 0.00 0.00 175.10 170.83 3hk9 s SER 223 N -1.06 5.36 0.18 3.54 1.04 -1.26 -1.39 113.70 120.11 3hk9 s SER 223 Ca -0.09 0.14 0.09 0.00 0.48 0.00 0.00 55.95 56.57 3hk9 s SER 223 Cb -0.00 -1.62 -0.04 0.00 0.10 0.00 0.00 66.02 64.45 3hk9 s SER 223 CO 0.09 0.34 -0.19 -0.76 0.98 0.00 0.00 173.24 173.69 3hk9 s LEU 224 N -0.63 2.45 0.68 2.42 1.43 0.12 -4.93 118.68 120.22 3hk9 s LEU 224 Ca 0.11 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 3hk9 s LEU 224 Cb -0.12 -0.89 -0.00 0.00 0.03 0.00 0.00 46.19 45.21 3hk9 s LEU 224 CO 0.02 -0.01 1.08 -2.16 0.23 0.00 0.00 176.35 175.51 3hk9 s PRO 225 N -2.83 3.06 0.51 1.29 0.04 -1.25 -0.98 135.00 134.84 3hk9 s PRO 225 Ca 0.17 0.56 0.34 0.00 0.04 0.00 0.00 61.00 62.12 3hk9 s PRO 225 Cb -0.06 -2.03 1.83 0.00 0.04 0.00 0.00 34.50 34.27 3hk9 s PRO 225 CO 0.07 -0.92 2.05 -1.00 0.04 0.00 0.00 177.00 177.25 3hk9 h PRO 226 N -0.57 0.00 -0.06 0.56 0.13 -1.76 -0.29 132.00 130.01 3hk9 h PRO 226 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3hk9 h PRO 226 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3hk9 h PRO 226 CO 0.63 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.65 3hk9 n THR 227 N -2.73 0.08 -1.61 1.56 -2.24 -1.26 -3.94 114.28 104.14 3hk9 n THR 227 Ca -0.02 -0.16 -0.48 0.00 -2.27 0.00 0.00 64.05 61.12 3hk9 n THR 227 Cb 0.08 0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 3hk9 n THR 227 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3hk9 n PHE 228 N -0.27 1.60 -3.94 4.78 7.35 -0.12 -4.99 117.46 121.87 3hk9 n PHE 228 Ca 0.17 0.59 -0.09 0.00 -0.76 0.00 0.00 57.45 57.36 3hk9 n PHE 228 Cb 0.21 -2.35 -0.10 0.00 0.35 0.00 0.00 39.48 37.60 3hk9 n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 3hk9 s SER 229 N 0.18 0.20 -0.29 -2.13 0.01 -1.26 -4.67 113.70 105.74 3hk9 s SER 229 Ca 0.74 -0.55 -0.20 0.00 1.31 0.00 0.00 55.95 57.24 3hk9 s SER 229 Cb -0.80 0.21 0.13 0.00 0.21 0.00 0.00 66.02 65.77 3hk9 s SER 229 CO 0.50 -0.49 1.00 0.12 0.41 0.00 0.00 173.24 174.78 3hk9 s PHE 230 N -2.54 -0.53 1.07 2.43 2.19 -1.26 -4.53 117.98 114.80 3hk9 s PHE 230 Ca -0.06 1.16 -0.12 0.00 0.33 0.00 0.00 56.93 58.24 3hk9 s PHE 230 Cb -0.02 0.37 0.23 0.00 -1.31 0.00 0.00 43.02 42.29 3hk9 s PHE 230 CO -0.04 -0.26 1.07 -1.25 1.83 0.00 0.00 175.22 176.56 3hk9 s PRO 231 N 0.84 -0.17 -0.28 10.12 0.04 -1.26 -4.22 135.00 140.07 3hk9 s PRO 231 Ca -0.03 1.02 -0.20 0.00 0.04 0.00 0.00 61.00 61.83 3hk9 s PRO 231 Cb -0.04 -1.63 0.10 0.00 0.04 0.00 0.00 34.50 32.97 3hk9 s PRO 231 CO -0.11 -3.27 0.82 -2.00 0.04 0.00 0.00 177.00 172.47 3hk9 s GLU 232 N -4.57 0.63 -1.27 4.56 2.12 -1.26 -5.07 118.70 113.84 3hk9 s GLU 232 Ca 0.67 0.95 -0.17 0.00 0.36 0.00 0.00 54.97 56.79 3hk9 s GLU 232 Cb -0.24 0.21 0.10 0.00 0.26 0.00 0.00 34.13 34.46 3hk9 s GLU 232 CO 0.62 -0.11 1.64 -1.21 -0.54 0.00 0.00 175.26 175.66 3hk9 s GLU 233 N 1.05 4.02 0.28 4.30 0.41 -1.26 -3.98 118.70 123.52 3hk9 s GLU 233 Ca -0.05 -2.17 -0.12 0.00 -0.41 0.00 0.00 54.97 52.22 3hk9 s GLU 233 Cb -0.05 -5.38 0.00 0.00 -1.78 0.00 0.00 34.13 26.92 3hk9 s GLU 233 CO -0.12 -2.10 0.51 -1.54 -0.49 0.00 0.00 175.26 171.52 3hk9 s SER 234 N 3.79 0.09 0.14 -0.19 1.04 -1.26 -5.01 113.70 112.30 3hk9 s SER 234 Ca 0.50 -1.03 -0.15 0.00 0.48 0.00 0.00 55.95 55.75 3hk9 s SER 234 Cb 0.02 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.78 3hk9 s SER 234 CO 0.05 -1.22 1.69 0.78 0.98 0.00 0.00 173.24 175.52 3hk9 h ASN 235 N 2.20 0.61 -0.53 7.02 2.35 -1.92 -1.55 115.58 123.77 3hk9 h ASN 235 Ca -0.27 -0.17 0.04 0.00 -0.55 0.00 0.00 56.30 55.35 3hk9 h ASN 235 Cb 1.25 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.42 3hk9 h ASN 235 CO 0.36 0.62 0.29 -0.09 -1.65 0.00 0.00 177.43 176.96 3hk9 h ARG 236 N 0.57 0.55 -0.62 0.81 2.43 -1.90 0.69 114.38 116.91 3hk9 h ARG 236 Ca 0.15 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3hk9 h ARG 236 Cb 0.20 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3hk9 h ARG 236 CO -0.01 0.36 0.21 0.78 -1.51 0.00 0.00 179.97 179.80 3hk9 h GLY 237 N 0.57 1.03 1.43 2.80 0.00 -1.65 -2.10 103.07 105.15 3hk9 h GLY 237 Ca 0.23 -0.60 -0.19 0.00 0.00 0.00 0.00 47.33 46.76 3hk9 h GLY 237 CO -0.13 0.56 -0.71 3.21 0.00 0.00 0.00 176.54 179.47 3hk9 h ARG 238 N 0.89 0.57 -0.66 4.80 3.08 -0.97 -2.38 114.38 119.72 3hk9 h ARG 238 Ca 0.20 -0.44 -0.09 0.00 0.07 0.00 0.00 59.98 59.73 3hk9 h ARG 238 Cb 0.27 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3hk9 h ARG 238 CO -0.01 1.07 0.08 0.82 -1.07 0.00 0.00 179.97 180.85 3hk9 h ILE 239 N 0.40 1.27 -0.19 2.04 2.04 -0.79 0.14 117.51 122.41 3hk9 h ILE 239 Ca -0.03 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 64.69 3hk9 h ILE 239 Cb 1.30 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3hk9 h ILE 239 CO 0.13 0.40 -0.10 0.40 0.00 0.00 0.00 178.15 178.99 3hk9 h ILE 240 N 1.03 1.31 0.08 -0.67 2.04 -1.40 0.41 117.51 120.31 3hk9 h ILE 240 Ca 0.20 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 3hk9 h ILE 240 Cb 0.48 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3hk9 h ILE 240 CO 0.02 0.35 -0.04 -0.09 0.00 0.00 0.00 178.15 178.39 3hk9 h ARG 241 N 0.08 -0.11 0.00 2.37 2.43 -1.31 -1.51 114.38 116.34 3hk9 h ARG 241 Ca 0.04 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3hk9 h ARG 241 Cb 0.59 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3hk9 h ARG 241 CO 0.03 0.25 -0.81 -0.44 -1.51 0.00 0.00 179.97 177.48 3hk9 h ASP 242 N -0.47 0.00 0.00 -3.80 3.32 -0.83 -3.41 116.42 111.23 3hk9 h ASP 242 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hk9 h ASP 242 Cb 0.40 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3hk9 h ASP 242 CO 0.02 0.13 -0.10 0.00 -1.72 0.00 0.00 179.24 177.57 3hk9 h LEU 244 N -0.01 -0.84 -0.32 0.00 7.12 -1.01 -2.38 115.31 117.86 3hk9 h LEU 244 Ca -0.00 0.07 0.06 0.00 0.13 0.00 0.00 57.88 58.14 3hk9 h LEU 244 Cb 0.10 0.28 -0.06 0.00 -0.53 0.00 0.00 40.66 40.45 3hk9 h LEU 244 CO -0.00 -0.40 -0.03 -0.07 -0.13 0.00 0.00 178.44 177.81 3hk9 h LEU 245 N -0.61 -0.20 -0.25 2.25 3.38 -1.53 0.13 115.31 118.49 3hk9 h LEU 245 Ca -0.04 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3hk9 h LEU 245 Cb 0.53 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3hk9 h LEU 245 CO -0.04 -0.06 0.06 -0.65 0.09 0.00 0.00 178.44 177.84 3hk9 h PRO 246 N 0.05 0.16 -0.21 1.13 0.11 -1.79 0.20 132.00 131.65 3hk9 h PRO 246 Ca 0.16 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 3hk9 h PRO 246 Cb 0.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3hk9 h PRO 246 CO -0.29 0.10 0.11 0.28 -0.21 0.00 0.00 178.00 177.99 3hk9 h VAL 247 N 0.16 1.12 -0.76 3.15 2.07 -1.13 -0.10 116.25 120.76 3hk9 h VAL 247 Ca 0.11 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.35 3hk9 h VAL 247 Cb 0.11 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3hk9 h VAL 247 CO -0.14 0.12 0.45 0.00 0.02 0.00 0.00 177.57 178.02 3hk9 h ALA 248 N 0.98 1.03 0.01 1.67 0.00 -0.40 -1.04 119.26 121.51 3hk9 h ALA 248 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hk9 h ALA 248 Cb 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hk9 h ALA 248 CO -0.01 0.16 -0.01 1.49 0.00 0.00 0.00 179.25 180.88 3hk9 h GLU 249 N 0.82 -0.02 -0.54 0.00 4.81 -0.30 0.44 114.58 119.79 3hk9 h GLU 249 Ca 0.33 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.66 3hk9 h GLU 249 Cb 0.17 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.48 3hk9 h GLU 249 CO -0.17 0.20 0.12 -0.22 -0.73 0.00 0.00 179.01 178.21 3hk9 h LYS 250 N -0.23 0.25 -0.31 1.92 3.64 -0.53 0.12 116.57 121.43 3hk9 h LYS 250 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3hk9 h LYS 250 Cb 0.22 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3hk9 h LYS 250 CO 0.00 0.17 0.00 0.72 -2.27 0.00 0.00 179.45 178.07 3hk9 n HIS 251 N -5.11 0.41 -4.16 1.91 8.25 -0.44 -4.93 115.22 111.15 3hk9 n HIS 251 Ca 0.07 -0.20 -0.32 0.00 -0.26 0.00 0.00 57.72 57.00 3hk9 n HIS 251 Cb 0.27 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.34 3hk9 n HIS 251 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3hk9 n ASN 252 N 0.67 -1.57 -4.60 0.41 4.05 0.89 -4.95 115.26 110.17 3hk9 n ASN 252 Ca 0.16 -1.06 -0.34 0.00 0.45 0.00 0.00 54.58 53.79 3hk9 n ASN 252 Cb 0.38 -2.64 -0.10 0.00 1.23 0.00 0.00 39.78 38.65 3hk9 n ASN 252 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3hk9 s ILE 253 N -3.68 4.45 0.73 -1.44 1.01 0.12 -4.85 121.20 117.54 3hk9 s ILE 253 Ca 0.38 -0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.74 3hk9 s ILE 253 Cb -0.21 -2.97 0.04 0.00 0.01 0.00 0.00 42.46 39.33 3hk9 s ILE 253 CO 0.93 0.49 1.12 -2.16 0.00 0.00 0.00 174.94 175.33 3hk9 s PRO 254 N 0.17 2.35 -0.27 2.79 0.04 -1.26 -4.57 135.00 134.25 3hk9 s PRO 254 Ca 0.02 1.40 -0.05 0.00 0.04 0.00 0.00 61.00 62.41 3hk9 s PRO 254 Cb -0.13 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.53 3hk9 s PRO 254 CO 0.01 -1.60 0.03 0.12 0.04 0.00 0.00 177.00 175.60 3hk9 s PHE 255 N -2.49 3.10 -0.21 0.56 5.36 -0.49 -1.58 117.98 122.24 3hk9 s PHE 255 Ca 0.66 -1.08 -0.16 0.00 -0.96 0.00 0.00 56.93 55.39 3hk9 s PHE 255 Cb -0.21 -2.18 -0.04 0.00 -0.34 0.00 0.00 43.02 40.25 3hk9 s PHE 255 CO 0.48 -0.60 0.39 0.00 -1.46 0.00 0.00 175.22 174.04 3hk9 s ALA 256 N 1.46 3.56 -0.19 11.12 0.00 0.26 -1.40 121.76 136.56 3hk9 s ALA 256 Ca 0.03 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 3hk9 s ALA 256 Cb -0.16 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.33 3hk9 s ALA 256 CO -0.00 -0.32 -0.13 -1.64 0.00 0.00 0.00 175.76 173.66 3hk9 s MET 257 N 1.36 3.17 -0.47 0.00 1.00 0.11 -1.91 119.30 122.55 3hk9 s MET 257 Ca 0.19 -0.74 -0.05 0.00 0.00 0.00 0.00 55.69 55.08 3hk9 s MET 257 Cb -0.15 -2.76 0.12 0.00 0.00 0.00 0.00 34.83 32.05 3hk9 s MET 257 CO 0.08 -0.19 0.30 -1.64 0.00 0.00 0.00 175.02 173.57 3hk9 s MET 258 N 1.33 2.29 -0.03 2.03 -1.94 -0.49 -2.38 119.30 120.12 3hk9 s MET 258 Ca 0.05 -1.92 -0.03 0.00 -1.71 0.00 0.00 55.69 52.08 3hk9 s MET 258 Cb -0.14 -3.75 -0.04 0.00 2.01 0.00 0.00 34.83 32.91 3hk9 s MET 258 CO -0.08 -1.14 0.16 0.42 -0.01 0.00 0.00 175.02 174.37 3hk9 s ILE 259 N 1.03 5.30 0.00 2.53 1.01 -0.84 0.12 121.20 130.35 3hk9 s ILE 259 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.59 3hk9 s ILE 259 Cb -0.23 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3hk9 s ILE 259 CO -0.03 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.90 3hk9 n GLY 260 N 1.15 1.40 3.73 6.18 0.00 -0.15 -0.50 105.19 117.01 3hk9 n GLY 260 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3hk9 n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hk9 s VAL 261 N -2.00 4.72 -0.42 1.61 0.11 -1.03 -1.63 120.40 121.75 3hk9 s VAL 261 Ca 0.00 1.83 -0.06 0.00 -2.93 0.00 0.00 61.98 60.82 3hk9 s VAL 261 Cb 0.00 -4.21 0.10 0.00 -1.53 0.00 0.00 36.38 30.74 3hk9 s VAL 261 CO 0.00 0.30 0.24 -0.75 -3.33 0.00 0.00 175.10 171.56 3hk9 s LYS 262 N 0.24 2.29 0.33 1.54 2.20 -0.01 -3.85 119.74 122.48 3hk9 s LYS 262 Ca 0.43 -1.69 -0.29 0.00 -0.36 0.00 0.00 55.97 54.06 3hk9 s LYS 262 Cb -0.21 -3.69 -0.10 0.00 -1.51 0.00 0.00 37.83 32.31 3hk9 s LYS 262 CO 0.26 -1.05 1.36 0.15 -0.36 0.00 0.00 175.35 175.71 3hk9 s LYS 263 N 1.27 4.29 -1.26 4.03 -0.14 -1.26 -0.60 119.74 126.07 3hk9 s LYS 263 Ca 0.06 2.31 -0.14 0.00 -1.36 0.00 0.00 55.97 56.83 3hk9 s LYS 263 Cb -0.24 -3.05 0.00 0.00 -1.68 0.00 0.00 37.83 32.86 3hk9 s LYS 263 CO -0.02 -0.29 0.62 0.54 -0.76 0.00 0.00 175.35 175.44 3hk9 n ARG 264 N 0.91 -1.89 0.24 1.68 1.74 -1.23 -4.88 116.66 113.22 3hk9 n ARG 264 Ca 0.01 0.38 0.14 0.00 -0.77 0.00 0.00 57.85 57.61 3hk9 n ARG 264 Cb 0.41 -4.08 0.33 0.00 -1.02 0.00 0.00 32.46 28.10 3hk9 n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3hk9 h VAL 265 N -1.96 0.01 -2.32 1.55 -1.51 -0.89 -3.33 116.25 107.80 3hk9 h VAL 265 Ca -0.66 -0.86 -0.59 0.00 -1.23 0.00 0.00 66.70 63.36 3hk9 h VAL 265 Cb 1.37 1.86 -0.39 0.00 -2.13 0.00 0.00 31.29 32.00 3hk9 h VAL 265 CO 0.54 0.00 -0.97 1.57 -1.23 0.00 0.00 177.57 177.49 3hk9 n HIS 266 N -3.10 -0.38 -0.27 5.19 -0.00 -0.95 -5.01 115.22 110.71 3hk9 n HIS 266 Ca 0.03 -3.46 0.20 0.00 -0.00 0.00 0.00 57.72 54.48 3hk9 n HIS 266 Cb 0.46 0.03 0.50 0.00 -0.00 0.00 0.00 29.99 30.98 3hk9 n HIS 266 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3hk9 h PRO 267 N 5.17 0.42 -0.03 1.57 0.13 -1.83 -1.18 132.00 136.25 3hk9 h PRO 267 Ca 0.21 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.32 3hk9 h PRO 267 Cb 0.88 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 3hk9 h PRO 267 CO 0.43 0.27 0.06 0.00 -0.23 0.00 0.00 178.00 178.53 3hk9 h ALA 268 N 1.61 1.38 -0.00 -0.56 0.00 -1.95 -0.07 119.26 119.66 3hk9 h ALA 268 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3hk9 h ALA 268 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3hk9 h ALA 268 CO -0.21 -0.08 -0.05 1.28 0.00 0.00 0.00 179.25 180.20 3hk9 n LEU 269 N -3.50 0.47 0.00 0.00 4.77 -0.44 -4.93 117.00 113.36 3hk9 n LEU 269 Ca -0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3hk9 n LEU 269 Cb 0.14 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3hk9 n LEU 269 CO 0.24 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3hk9 n GLY 270 N 1.18 3.52 0.00 -0.72 0.00 -0.04 -1.43 105.19 107.70 3hk9 n GLY 270 Ca 0.18 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3hk9 n GLY 270 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hk9 n ASP 271 N 4.99 0.00 -1.12 1.61 8.00 -1.26 -1.02 116.55 127.74 3hk9 n ASP 271 Ca 0.00 0.49 0.11 0.00 0.71 0.00 0.00 54.79 56.10 3hk9 n ASP 271 Cb 0.00 -0.49 0.27 0.00 -0.02 0.00 0.00 41.12 40.88 3hk9 n ASP 271 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hk9 n ALA 272 N -1.49 2.42 -0.56 2.24 0.00 -0.51 -4.39 120.51 118.21 3hk9 n ALA 272 Ca 0.01 -1.02 0.10 0.00 0.00 0.00 0.00 53.44 52.53 3hk9 n ALA 272 Cb 0.05 -0.93 0.35 0.00 0.00 0.00 0.00 19.45 18.91 3hk9 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hk9 n GLY 273 N 1.49 2.71 3.84 0.00 0.00 -0.19 -4.85 105.19 108.19 3hk9 n GLY 273 Ca 0.20 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 3hk9 n GLY 273 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hk9 s ASP 274 N -0.95 6.84 0.07 1.61 1.01 -1.26 -0.40 116.67 123.59 3hk9 s ASP 274 Ca 0.50 1.13 0.00 0.00 0.71 0.00 0.00 52.55 54.90 3hk9 s ASP 274 Cb 0.31 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.93 3hk9 s ASP 274 CO 0.27 0.06 0.01 0.33 0.21 0.00 0.00 175.17 176.05 3hk9 n PHE 275 N 0.63 -0.26 -4.12 4.23 7.35 0.24 -4.92 117.46 120.62 3hk9 n PHE 275 Ca -0.04 -0.31 -0.09 0.00 -0.76 0.00 0.00 57.45 56.25 3hk9 n PHE 275 Cb 0.52 -0.05 -0.10 0.00 0.35 0.00 0.00 39.48 40.20 3hk9 n PHE 275 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3hk9 s VAL 276 N -1.00 0.47 0.01 -2.13 0.11 -1.26 -0.83 120.40 115.77 3hk9 s VAL 276 Ca 0.01 -1.72 -0.23 0.00 -2.93 0.00 0.00 61.98 57.11 3hk9 s VAL 276 Cb -0.00 -1.40 0.05 0.00 -1.53 0.00 0.00 36.38 33.50 3hk9 s VAL 276 CO 0.01 -0.83 0.52 -0.83 -3.33 0.00 0.00 175.10 170.63 3hk9 s GLY 277 N -2.72 -0.41 0.24 6.54 0.00 -0.65 -4.85 107.32 105.47 3hk9 s GLY 277 Ca 0.06 0.72 -0.30 0.00 0.00 0.00 0.00 44.72 45.20 3hk9 s GLY 277 CO -0.06 0.43 1.05 1.25 0.00 0.00 0.00 173.10 175.77 3hk9 s LYS 278 N -1.92 4.69 0.28 2.90 2.20 -1.26 -4.41 119.74 122.21 3hk9 s LYS 278 Ca -0.08 1.69 0.08 0.00 -0.36 0.00 0.00 55.97 57.30 3hk9 s LYS 278 Cb -0.01 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 3hk9 s LYS 278 CO 0.02 0.26 0.10 0.00 -0.36 0.00 0.00 175.35 175.37 3hk9 s ALA 279 N -0.90 3.38 0.45 3.13 0.00 -1.26 -4.76 121.76 121.80 3hk9 s ALA 279 Ca 0.45 -1.62 -0.20 0.00 0.00 0.00 0.00 51.96 50.59 3hk9 s ALA 279 Cb -0.30 -0.93 -0.10 0.00 0.00 0.00 0.00 23.12 21.79 3hk9 s ALA 279 CO 0.37 0.20 0.95 0.45 0.00 0.00 0.00 175.76 177.73 3hk9 s SER 280 N -3.77 6.86 0.00 0.00 0.15 -1.25 -4.97 113.70 110.71 3hk9 s SER 280 Ca 0.34 1.64 0.24 0.00 0.70 0.00 0.00 55.95 58.87 3hk9 s SER 280 Cb -0.06 -2.53 0.28 0.00 -1.71 0.00 0.00 66.02 62.01 3hk9 s SER 280 CO 0.22 -0.41 1.26 0.23 1.20 0.00 0.00 173.24 175.74 3hk9 n MET 281 N -0.86 0.38 -0.22 5.44 2.81 -1.26 -4.43 117.12 118.99 3hk9 n MET 281 Ca 0.07 -0.27 0.02 0.00 -1.81 0.00 0.00 57.70 55.71 3hk9 n MET 281 Cb 0.54 -1.49 0.13 0.00 -0.71 0.00 0.00 33.22 31.69 3hk9 n MET 281 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3hk9 h ASP 282 N 0.66 0.04 -0.70 7.83 3.32 -1.94 0.99 116.42 126.63 3hk9 h ASP 282 Ca 0.00 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3hk9 h ASP 282 Cb 0.54 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3hk9 h ASP 282 CO 0.00 0.02 0.42 1.23 -1.72 0.00 0.00 179.24 179.18 3hk9 h GLY 283 N 0.29 1.02 1.34 2.75 0.00 -1.77 0.14 103.07 106.84 3hk9 h GLY 283 Ca 0.35 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 47.07 3hk9 h GLY 283 CO -0.42 0.42 -0.55 -2.08 0.00 0.00 0.00 176.54 173.91 3hk9 h VAL 284 N 0.95 1.30 -0.18 4.60 2.07 -1.66 -2.14 116.25 121.20 3hk9 h VAL 284 Ca 0.25 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 3hk9 h VAL 284 Cb -0.02 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3hk9 h VAL 284 CO -0.05 0.56 0.09 -0.08 0.02 0.00 0.00 177.57 178.11 3hk9 h GLU 285 N 0.53 0.25 -0.38 1.57 4.81 -0.48 -1.52 114.58 119.35 3hk9 h GLU 285 Ca 0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3hk9 h GLU 285 Cb 1.12 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 3hk9 h GLU 285 CO 0.11 0.27 0.23 1.25 -0.73 0.00 0.00 179.01 180.14 3hk9 h HIS 286 N 0.17 0.51 -0.68 0.92 2.76 -0.68 -1.92 115.15 116.23 3hk9 h HIS 286 Ca 0.06 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3hk9 h HIS 286 Cb 0.10 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 3hk9 h HIS 286 CO -0.03 0.37 0.43 -0.07 -1.30 0.00 0.00 177.93 177.33 3hk9 h LEU 287 N 0.50 0.80 -0.29 0.26 3.38 -1.24 -0.09 115.31 118.63 3hk9 h LEU 287 Ca 0.14 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3hk9 h LEU 287 Cb 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3hk9 h LEU 287 CO -0.03 0.60 0.03 -0.07 0.09 0.00 0.00 178.44 179.06 3hk9 h LEU 288 N 0.92 0.48 -0.13 1.67 3.38 -1.12 -2.53 115.31 117.97 3hk9 h LEU 288 Ca 0.25 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3hk9 h LEU 288 Cb -0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3hk9 h LEU 288 CO -0.05 0.64 -0.25 -0.09 0.09 0.00 0.00 178.44 178.78 3hk9 h ARG 289 N 0.30 0.40 0.00 1.13 2.43 -1.21 -3.30 114.38 114.13 3hk9 h ARG 289 Ca 0.09 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3hk9 h ARG 289 Cb 0.38 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3hk9 h ARG 289 CO 0.01 0.85 0.00 0.39 -1.51 0.00 0.00 179.97 179.71 3hk9 n GLU 290 N -4.45 0.15 -3.16 0.20 -0.58 -0.06 -4.11 120.64 108.62 3hk9 n GLU 290 Ca -0.07 0.14 -0.24 0.00 -0.42 0.00 0.00 57.16 56.58 3hk9 n GLU 290 Cb 0.44 -1.68 -0.05 0.00 -0.57 0.00 0.00 31.44 29.58 3hk9 n GLU 290 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3hk9 n TYR 291 N -1.94 1.95 0.17 -0.32 4.01 -0.95 -4.93 117.16 115.15 3hk9 n TYR 291 Ca 0.06 -3.89 0.11 0.00 -0.16 0.00 0.00 57.90 54.02 3hk9 n TYR 291 Cb 0.38 -0.46 0.60 0.00 -0.31 0.00 0.00 39.34 39.55 3hk9 n TYR 291 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3hk9 n PRO 292 N 0.47 0.14 0.00 -0.72 -0.04 -1.25 -1.39 135.00 132.21 3hk9 n PRO 292 Ca 0.27 0.64 0.12 0.00 -0.04 0.00 0.00 63.50 64.49 3hk9 n PRO 292 Cb 0.50 -1.97 0.14 0.00 -0.04 0.00 0.00 33.50 32.13 3hk9 n PRO 292 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hk9 n ASN 293 N -2.28 1.60 -4.91 3.54 5.03 -1.26 -4.90 115.26 112.08 3hk9 n ASN 293 Ca -0.01 -1.25 -0.32 0.00 0.87 0.00 0.00 54.58 53.87 3hk9 n ASN 293 Cb 0.04 0.36 -0.04 0.00 -1.02 0.00 0.00 39.78 39.11 3hk9 n ASN 293 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3hk9 s ASN 294 N -2.51 6.37 -0.06 6.41 -0.87 -0.49 -4.84 114.94 118.95 3hk9 s ASN 294 Ca 0.20 0.31 -0.04 0.00 -1.57 0.00 0.00 52.86 51.76 3hk9 s ASN 294 Cb 0.18 -1.98 -0.04 0.00 -0.02 0.00 0.00 41.25 39.40 3hk9 s ASN 294 CO 0.56 0.21 0.12 -0.54 -2.57 0.00 0.00 177.10 174.88 3hk9 s LYS 295 N -2.25 3.29 -0.06 -0.60 1.02 -1.26 -4.85 119.74 115.03 3hk9 s LYS 295 Ca 0.31 -0.29 0.01 0.00 0.02 0.00 0.00 55.97 56.02 3hk9 s LYS 295 Cb -0.13 -3.04 0.02 0.00 -0.52 0.00 0.00 37.83 34.16 3hk9 s LYS 295 CO 0.24 0.72 -0.07 -0.06 -0.92 0.00 0.00 175.35 175.25 3hk9 s PHE 296 N -1.11 1.03 -0.22 3.18 0.08 -0.35 -1.39 117.98 119.19 3hk9 s PHE 296 Ca 0.19 -0.35 -0.05 0.00 0.12 0.00 0.00 56.93 56.84 3hk9 s PHE 296 Cb -0.12 -0.85 -0.02 0.00 -0.57 0.00 0.00 43.02 41.46 3hk9 s PHE 296 CO 0.09 -0.26 0.01 -0.51 -0.10 0.00 0.00 175.22 174.45 3hk9 s LEU 297 N 0.98 3.18 0.01 -0.37 1.43 -0.50 -0.58 118.68 122.84 3hk9 s LEU 297 Ca -0.10 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3hk9 s LEU 297 Cb -0.14 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 3hk9 s LEU 297 CO 0.00 -0.00 -0.13 -0.69 0.23 0.00 0.00 176.35 175.76 3hk9 s VAL 298 N 1.40 1.04 -0.06 -1.59 1.01 -0.80 0.07 120.40 121.47 3hk9 s VAL 298 Ca 0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 3hk9 s VAL 298 Cb -0.15 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.34 3hk9 s VAL 298 CO 0.00 0.14 0.15 0.28 0.00 0.00 0.00 175.10 175.67 3hk9 s THR 299 N -0.58 -0.00 0.13 3.92 -1.32 -1.00 -1.68 115.64 115.10 3hk9 s THR 299 Ca 0.03 0.01 0.10 0.00 -1.21 0.00 0.00 61.69 60.62 3hk9 s THR 299 Cb -0.06 -0.22 -0.04 0.00 -1.51 0.00 0.00 72.50 70.67 3hk9 s THR 299 CO 0.00 0.00 -0.25 -0.04 -2.21 0.00 0.00 174.62 172.12 3hk9 s MET 300 N 0.14 1.35 0.04 7.08 -1.94 -1.26 -1.98 119.30 122.73 3hk9 s MET 300 Ca -0.01 -1.33 0.06 0.00 -1.71 0.00 0.00 55.69 52.71 3hk9 s MET 300 Cb -0.02 -1.78 -0.23 0.00 2.01 0.00 0.00 34.83 34.81 3hk9 s MET 300 CO -0.00 0.42 0.99 1.25 -0.01 0.00 0.00 175.02 177.67 3hk9 h LEU 301 N 3.85 0.10 -9.72 -0.03 5.85 -1.10 -3.42 115.31 110.83 3hk9 h LEU 301 Ca -0.49 -0.13 -0.50 0.00 0.84 0.00 0.00 57.88 57.60 3hk9 h LEU 301 Cb 1.18 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3hk9 h LEU 301 CO 0.40 1.11 0.36 -0.55 -0.34 0.00 0.00 178.44 179.42 3hk9 s SER 302 N -6.59 7.60 0.23 1.25 0.15 -1.26 -4.58 113.70 110.50 3hk9 s SER 302 Ca -0.03 1.94 -0.06 0.00 0.70 0.00 0.00 55.95 58.50 3hk9 s SER 302 Cb 0.09 -2.61 0.22 0.00 -1.71 0.00 0.00 66.02 62.00 3hk9 s SER 302 CO 0.83 0.10 1.79 -0.09 1.20 0.00 0.00 173.24 177.07 3hk9 h ARG 303 N 4.37 1.12 0.00 5.44 2.43 -1.95 -2.65 114.38 123.13 3hk9 h ARG 303 Ca -0.45 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 3hk9 h ARG 303 Cb 1.20 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3hk9 h ARG 303 CO 0.69 0.92 0.00 0.39 -1.51 0.00 0.00 179.97 180.46 3hk9 n GLU 304 N -4.27 0.27 -0.01 0.20 4.71 -1.26 -2.61 120.64 117.66 3hk9 n GLU 304 Ca 0.06 0.11 0.10 0.00 -0.01 0.00 0.00 57.16 57.43 3hk9 n GLU 304 Cb 0.20 -1.50 -0.15 0.00 -1.01 0.00 0.00 31.44 28.98 3hk9 n GLU 304 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3hk9 n ASN 305 N -1.20 0.50 -0.13 1.62 5.03 -1.00 -4.70 115.26 115.39 3hk9 n ASN 305 Ca 0.08 -0.14 -0.05 0.00 0.87 0.00 0.00 54.58 55.34 3hk9 n ASN 305 Cb 0.09 1.78 0.04 0.00 -1.02 0.00 0.00 39.78 40.67 3hk9 n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 3hk9 h GLN 306 N 0.00 0.24 0.14 3.52 1.08 -1.57 -2.00 115.11 116.53 3hk9 h GLN 306 Ca 0.00 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3hk9 h GLN 306 Cb 0.85 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 3hk9 h GLN 306 CO 0.00 0.16 -0.07 1.25 -0.95 0.00 0.00 178.83 179.22 3hk9 h HIS 307 N 0.25 -0.18 0.00 2.96 2.76 -1.84 -2.50 115.15 116.61 3hk9 h HIS 307 Ca 0.20 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.34 3hk9 h HIS 307 Cb 0.22 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.24 3hk9 h HIS 307 CO -0.18 0.06 -0.13 1.05 -1.30 0.00 0.00 177.93 177.43 3hk9 h GLU 308 N -0.40 0.00 -0.57 5.26 4.11 -1.86 -0.93 114.58 120.19 3hk9 h GLU 308 Ca -0.02 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.32 3hk9 h GLU 308 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3hk9 h GLU 308 CO 0.03 0.13 0.00 1.25 0.07 0.00 0.00 179.01 180.50 3hk9 h LEU 309 N 0.00 0.99 -0.37 3.06 5.85 -1.17 0.16 115.31 123.83 3hk9 h LEU 309 Ca -0.00 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 3hk9 h LEU 309 Cb 0.31 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3hk9 h LEU 309 CO 0.02 1.05 0.19 0.58 -0.34 0.00 0.00 178.44 179.94 3hk9 h VAL 310 N 0.90 1.15 -0.78 1.05 2.07 -0.75 -1.49 116.25 118.39 3hk9 h VAL 310 Ca 0.16 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3hk9 h VAL 310 Cb 0.54 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3hk9 h VAL 310 CO 0.03 0.16 0.47 0.58 0.02 0.00 0.00 177.57 178.83 3hk9 h VAL 311 N 0.46 1.22 -0.21 2.57 2.07 -0.98 -1.39 116.25 120.00 3hk9 h VAL 311 Ca 0.13 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 3hk9 h VAL 311 Cb 0.09 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3hk9 h VAL 311 CO -0.02 0.23 -0.14 0.25 0.02 0.00 0.00 177.57 177.92 3hk9 h LEU 312 N 1.08 0.32 -1.38 2.57 5.85 -0.48 -1.44 115.31 121.83 3hk9 h LEU 312 Ca 0.28 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3hk9 h LEU 312 Cb -0.04 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3hk9 h LEU 312 CO -0.05 0.49 -0.28 0.00 -0.34 0.00 0.00 178.44 178.25 3hk9 h ALA 313 N 1.55 1.24 -0.02 1.25 0.00 -0.23 -1.71 119.26 121.34 3hk9 h ALA 313 Ca 0.06 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 3hk9 h ALA 313 Cb 0.43 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3hk9 h ALA 313 CO 0.03 0.35 -0.56 0.00 0.00 0.00 0.00 179.25 179.07 3hk9 h ARG 314 N 0.00 0.05 0.02 0.00 3.08 -0.76 -3.25 114.38 113.52 3hk9 h ARG 314 Ca -0.00 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.80 3hk9 h ARG 314 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3hk9 h ARG 314 CO 0.04 0.60 -0.99 0.87 -1.07 0.00 0.00 179.97 179.42 3hk9 h LYS 315 N 0.04 0.06 -3.92 0.04 1.79 -1.07 -3.45 116.57 110.05 3hk9 h LYS 315 Ca -0.00 -0.09 -0.45 0.00 -2.18 0.00 0.00 60.65 57.93 3hk9 h LYS 315 Cb 1.00 0.03 -0.37 0.00 -1.58 0.00 0.00 32.23 31.32 3hk9 h LYS 315 CO 0.08 0.99 -0.78 -0.06 -1.08 0.00 0.00 179.45 178.60 3hk9 s PHE 316 N -2.84 0.87 -0.35 -1.35 0.08 -0.95 -5.00 117.98 108.45 3hk9 s PHE 316 Ca -0.00 -0.30 0.27 0.00 0.12 0.00 0.00 56.93 57.02 3hk9 s PHE 316 Cb 0.10 -0.85 0.94 0.00 -0.57 0.00 0.00 43.02 42.63 3hk9 s PHE 316 CO 0.82 -0.32 1.79 0.66 -0.10 0.00 0.00 175.22 178.07 3hk9 h SER 317 N 7.93 0.00 -0.21 1.36 4.64 -1.89 -2.62 113.55 122.76 3hk9 h SER 317 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3hk9 h SER 317 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3hk9 h SER 317 CO 0.36 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.86 3hk9 n ASN 318 N -2.67 1.41 -4.35 4.97 6.94 -1.26 -4.71 115.26 115.59 3hk9 n ASN 318 Ca 0.03 -2.05 -0.34 0.00 -0.02 0.00 0.00 54.58 52.20 3hk9 n ASN 318 Cb 0.35 -0.23 -0.14 0.00 -2.36 0.00 0.00 39.78 37.41 3hk9 n ASN 318 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3hk9 s LEU 319 N -0.96 2.79 -0.24 -4.53 2.96 -0.99 -1.22 118.68 116.49 3hk9 s LEU 319 Ca 0.15 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3hk9 s LEU 319 Cb 0.09 -1.66 0.06 0.00 0.50 0.00 0.00 46.19 45.17 3hk9 s LEU 319 CO 0.09 0.09 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.82 3hk9 s MET 320 N 0.79 1.86 0.26 1.98 -2.45 0.25 -4.93 119.30 117.05 3hk9 s MET 320 Ca -0.04 -1.10 -0.16 0.00 -1.25 0.00 0.00 55.69 53.15 3hk9 s MET 320 Cb -0.15 -2.68 -0.08 0.00 1.25 0.00 0.00 34.83 33.17 3hk9 s MET 320 CO 0.01 -0.58 0.68 0.96 1.05 0.00 0.00 175.02 177.15 3hk9 s ILE 321 N 1.30 4.70 -0.03 10.11 -4.36 -1.26 -1.91 121.20 129.75 3hk9 s ILE 321 Ca -0.07 0.97 -0.08 0.00 -0.26 0.00 0.00 60.65 61.21 3hk9 s ILE 321 Cb -0.19 -3.70 0.01 0.00 1.25 0.00 0.00 42.46 39.83 3hk9 s ILE 321 CO -0.06 0.01 0.19 0.72 0.24 0.00 0.00 174.94 176.03 3hk9 s PHE 322 N -1.75 -0.08 0.36 1.37 -0.12 -0.68 -1.98 117.98 115.10 3hk9 s PHE 322 Ca 0.48 0.16 0.00 0.00 -0.05 0.00 0.00 56.93 57.51 3hk9 s PHE 322 Cb -0.13 0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.28 3hk9 s PHE 322 CO 0.19 -0.24 0.00 0.41 -0.05 0.00 0.00 175.22 175.53 3hk9 n GLY 323 N 1.92 -1.97 2.84 1.99 0.00 0.46 -4.43 105.19 106.01 3hk9 n GLY 323 Ca -0.19 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 3hk9 n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hk9 s TRP 325 N -0.40 3.19 0.00 0.00 -0.00 -1.26 -2.81 118.94 117.65 3hk9 s TRP 325 Ca 0.20 1.03 0.00 0.00 -0.00 0.00 0.00 56.10 57.33 3hk9 s TRP 325 Cb -0.18 -3.58 0.00 0.00 -0.00 0.00 0.00 33.47 29.70 3hk9 s TRP 325 CO -0.05 -2.01 0.00 1.87 -0.00 0.00 0.00 176.95 176.76 3hk9 n TRP 326 N 4.43 0.00 0.72 5.86 -0.00 -1.26 -0.59 117.44 126.59 3hk9 n TRP 326 Ca 0.11 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.69 3hk9 n TRP 326 Cb 0.44 0.00 0.39 0.00 -0.00 0.00 0.00 31.31 32.14 3hk9 n TRP 326 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 3hk9 n PHE 327 N 0.00 0.00 0.30 5.87 3.72 -1.26 -1.37 117.46 124.72 3hk9 n PHE 327 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3hk9 n PHE 327 Cb 0.00 -0.31 -0.05 0.00 -0.94 0.00 0.00 39.48 38.19 3hk9 n PHE 327 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3hk9 n MET 328 N -1.31 0.46 -0.98 -1.08 2.81 0.24 -4.56 117.12 112.71 3hk9 n MET 328 Ca 0.07 -0.03 -0.17 0.00 -1.81 0.00 0.00 57.70 55.76 3hk9 n MET 328 Cb 0.13 -1.63 -0.12 0.00 -0.71 0.00 0.00 33.22 30.90 3hk9 n MET 328 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3hk9 n ASN 329 N -2.21 5.60 -4.09 7.83 5.15 -0.47 -3.59 115.26 123.48 3hk9 n ASN 329 Ca -0.00 -2.42 -0.23 0.00 -0.60 0.00 0.00 54.58 51.33 3hk9 n ASN 329 Cb 0.50 -1.33 -0.16 0.00 -0.53 0.00 0.00 39.78 38.26 3hk9 n ASN 329 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3hk9 s ASN 330 N 2.19 1.70 0.21 1.20 0.01 -1.26 -4.98 114.94 114.01 3hk9 s ASN 330 Ca 0.61 -0.27 -0.11 0.00 -0.71 0.00 0.00 52.86 52.39 3hk9 s ASN 330 Cb 0.25 -0.37 0.29 0.00 0.41 0.00 0.00 41.25 41.83 3hk9 s ASN 330 CO -0.01 0.13 1.29 -2.65 -1.51 0.00 0.00 177.10 174.35 3hk9 n PRO 331 N 3.05 -0.14 -0.26 -0.60 -0.02 -1.26 -0.32 135.00 135.45 3hk9 n PRO 331 Ca -0.17 1.29 0.01 0.00 -2.02 0.00 0.00 63.50 62.61 3hk9 n PRO 331 Cb 0.54 -1.92 0.23 0.00 -0.02 0.00 0.00 33.50 32.34 3hk9 n PRO 331 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hk9 h GLU 332 N 0.00 1.02 0.15 -0.52 4.57 -1.97 -0.98 114.58 116.85 3hk9 h GLU 332 Ca 0.34 -0.06 -0.23 0.00 -1.18 0.00 0.00 59.36 58.23 3hk9 h GLU 332 Cb 0.55 -0.23 0.02 0.00 -0.16 0.00 0.00 28.75 28.93 3hk9 h GLU 332 CO -0.84 0.68 -1.07 0.82 -1.18 0.00 0.00 179.01 177.42 3hk9 h ILE 333 N 1.05 1.35 -0.98 2.32 1.08 -0.97 -3.10 117.51 118.26 3hk9 h ILE 333 Ca 0.32 -2.52 0.09 0.00 -0.39 0.00 0.00 64.86 62.36 3hk9 h ILE 333 Cb -0.02 3.05 -0.07 0.00 -3.07 0.00 0.00 36.82 36.70 3hk9 h ILE 333 CO -0.09 0.73 0.63 0.40 -0.69 0.00 0.00 178.15 179.13 3hk9 h ILE 334 N -0.29 1.00 0.33 -0.67 2.04 -0.55 -0.62 117.51 118.75 3hk9 h ILE 334 Ca -0.20 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 3hk9 h ILE 334 Cb 1.74 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3hk9 h ILE 334 CO 0.14 0.19 -0.16 -1.13 0.00 0.00 0.00 178.15 177.19 3hk9 h ASN 335 N 1.05 -0.37 -0.28 1.72 -1.24 -1.26 -1.38 115.58 113.82 3hk9 h ASN 335 Ca 0.45 -0.09 -0.06 0.00 0.71 0.00 0.00 56.30 57.31 3hk9 h ASN 335 Cb 0.34 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 3hk9 h ASN 335 CO -0.21 -0.13 -0.01 1.05 -1.29 0.00 0.00 177.43 176.85 3hk9 h GLU 336 N -0.62 0.61 -0.14 6.67 4.11 -1.40 -1.80 114.58 122.01 3hk9 h GLU 336 Ca -0.05 -0.15 -0.04 0.00 0.07 0.00 0.00 59.36 59.20 3hk9 h GLU 336 Cb 0.45 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3hk9 h GLU 336 CO 0.07 0.64 -0.05 0.52 0.07 0.00 0.00 179.01 180.26 3hk9 h MET 337 N 0.58 0.28 -0.31 1.06 2.86 -1.10 -1.50 114.93 116.81 3hk9 h MET 337 Ca 0.12 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3hk9 h MET 337 Cb 0.38 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 3hk9 h MET 337 CO 0.01 0.60 0.01 1.15 1.06 0.00 0.00 176.91 179.74 3hk9 h THR 338 N -0.04 1.18 -0.10 2.22 2.02 -1.13 -0.15 112.91 116.91 3hk9 h THR 338 Ca 0.03 -0.69 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 3hk9 h THR 338 Cb 0.50 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3hk9 h THR 338 CO 0.02 0.24 -0.30 0.03 0.37 0.00 0.00 175.52 175.88 3hk9 h ARG 339 N 0.45 0.38 -0.62 6.66 3.08 -1.23 -1.91 114.38 121.19 3hk9 h ARG 339 Ca 0.10 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 3hk9 h ARG 339 Cb 0.28 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3hk9 h ARG 339 CO 0.01 0.89 0.30 0.52 -1.07 0.00 0.00 179.97 180.62 3hk9 h MET 340 N -0.06 0.88 0.26 0.04 2.86 -1.09 -1.38 114.93 116.44 3hk9 h MET 340 Ca -0.01 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3hk9 h MET 340 Cb 0.91 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.42 3hk9 h MET 340 CO 0.06 0.71 -0.13 0.00 1.06 0.00 0.00 176.91 178.62 3hk9 h ARG 341 N 0.84 -0.34 -0.13 1.72 3.08 -1.04 -2.55 114.38 115.97 3hk9 h ARG 341 Ca 0.21 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 3hk9 h ARG 341 Cb 0.11 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3hk9 h ARG 341 CO -0.03 -0.20 -0.22 1.98 -1.07 0.00 0.00 179.97 180.44 3hk9 h MET 342 N -0.39 0.22 -0.02 0.04 4.05 -1.29 0.25 114.93 117.79 3hk9 h MET 342 Ca -0.04 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.23 3hk9 h MET 342 Cb 0.30 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 3hk9 h MET 342 CO 0.06 0.43 -0.42 0.93 0.23 0.00 0.00 176.91 178.15 3hk9 h GLU 343 N 0.20 0.04 -0.00 0.39 5.08 -1.11 -0.20 114.58 118.98 3hk9 h GLU 343 Ca 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3hk9 h GLU 343 Cb 0.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3hk9 h GLU 343 CO 0.03 0.45 -0.51 -1.33 -1.00 0.00 0.00 179.01 176.65 3hk9 n MET 344 N -4.04 3.22 0.00 2.33 2.81 -0.97 -4.66 117.12 115.81 3hk9 n MET 344 Ca -0.02 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 3hk9 n MET 344 Cb 0.45 -1.03 0.00 0.00 -0.71 0.00 0.00 33.22 31.93 3hk9 n MET 344 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hk9 n LEU 345 N -1.19 0.73 0.00 4.03 4.77 0.87 -4.89 117.00 121.32 3hk9 n LEU 345 Ca 0.02 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 3hk9 n LEU 345 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3hk9 n LEU 345 CO 0.22 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3hk9 n GLY 346 N -0.01 3.85 0.82 -0.72 0.00 -0.09 -1.49 105.19 107.55 3hk9 n GLY 346 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3hk9 n GLY 346 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hk9 n THR 347 N 0.00 1.76 -1.52 2.61 -2.24 -1.26 -4.31 114.28 109.32 3hk9 n THR 347 Ca 0.00 -1.50 -0.31 0.00 -2.27 0.00 0.00 64.05 59.97 3hk9 n THR 347 Cb 0.00 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 3hk9 n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hk9 n SER 348 N -0.04 7.19 -3.80 3.42 3.41 -0.55 -4.70 113.62 118.54 3hk9 n SER 348 Ca 0.18 -2.92 -0.07 0.00 -0.26 0.00 0.00 58.87 55.79 3hk9 n SER 348 Cb 0.71 -1.37 -0.02 0.00 -0.26 0.00 0.00 64.21 63.26 3hk9 n SER 348 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hk9 s PHE 349 N -0.24 -0.10 -0.41 7.33 -0.12 -1.26 -4.82 117.98 118.36 3hk9 s PHE 349 Ca 0.61 -0.36 -0.04 0.00 -0.05 0.00 0.00 56.93 57.09 3hk9 s PHE 349 Cb 0.27 0.66 0.11 0.00 -0.63 0.00 0.00 43.02 43.43 3hk9 s PHE 349 CO -0.11 -1.24 0.21 0.42 -0.05 0.00 0.00 175.22 174.46 3hk9 s ILE 350 N -3.80 3.39 0.28 -4.49 1.01 -0.84 -4.65 121.20 112.10 3hk9 s ILE 350 Ca 0.13 -2.00 0.02 0.00 0.00 0.00 0.00 60.65 58.80 3hk9 s ILE 350 Cb -0.05 -3.30 0.28 0.00 0.01 0.00 0.00 42.46 39.40 3hk9 s ILE 350 CO 0.08 -0.68 1.82 1.55 0.00 0.00 0.00 174.94 177.71 3hk9 h PRO 351 N 8.09 0.91 -3.66 2.79 0.13 -1.85 0.13 132.00 138.55 3hk9 h PRO 351 Ca -0.14 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.86 3hk9 h PRO 351 Cb 1.05 -0.21 -0.12 0.00 0.13 0.00 0.00 31.00 31.86 3hk9 h PRO 351 CO 0.71 0.60 -0.20 -1.14 -0.23 0.00 0.00 178.00 177.75 3hk9 s GLN 352 N -5.95 1.19 0.05 0.86 2.00 -1.26 -3.18 119.66 113.38 3hk9 s GLN 352 Ca -0.12 -1.03 -0.12 0.00 -2.00 0.00 0.00 55.36 52.10 3hk9 s GLN 352 Cb 0.22 0.43 0.01 0.00 0.80 0.00 0.00 33.01 34.47 3hk9 s GLN 352 CO 0.81 -0.46 0.25 -3.38 -0.50 0.00 0.00 175.29 172.01 3hk9 s HIS 353 N -3.92 -0.02 -0.05 1.67 -3.43 -1.26 -4.56 115.29 103.73 3hk9 s HIS 353 Ca 0.13 -0.19 -0.05 0.00 -0.80 0.00 0.00 55.06 54.15 3hk9 s HIS 353 Cb 0.02 0.03 -0.28 0.00 -1.43 0.00 0.00 32.58 30.92 3hk9 s HIS 353 CO -0.03 -0.48 0.66 0.66 -2.00 0.00 0.00 174.74 173.55 3hk9 h SER 354 N 3.25 0.44 -1.61 7.38 4.64 -1.93 -3.44 113.55 122.27 3hk9 h SER 354 Ca -0.32 -0.73 -0.30 0.00 -0.47 0.00 0.00 61.79 59.98 3hk9 h SER 354 Cb 1.20 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 63.09 3hk9 h SER 354 CO 0.48 1.62 -0.34 -0.67 -0.87 0.00 0.00 176.83 177.05 3hk9 n ASP 355 N -3.47 -4.57 -4.71 4.97 -0.08 -0.28 -4.92 116.55 103.49 3hk9 n ASP 355 Ca -0.23 0.12 -0.43 0.00 -1.51 0.00 0.00 54.79 52.74 3hk9 n ASP 355 Cb 1.06 -3.60 -0.03 0.00 2.34 0.00 0.00 41.12 40.89 3hk9 n ASP 355 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hk9 n ALA 356 N -0.68 2.60 -0.02 -1.67 0.00 -1.26 -4.46 120.51 115.03 3hk9 n ALA 356 Ca -0.17 0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.73 3hk9 n ALA 356 Cb 0.58 -2.49 -0.12 0.00 0.00 0.00 0.00 19.45 17.42 3hk9 n ALA 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hk9 n ARG 357 N 3.72 0.66 -5.10 0.00 1.74 -1.26 0.53 116.66 116.95 3hk9 n ARG 357 Ca 0.15 -0.12 -0.30 0.00 -0.77 0.00 0.00 57.85 56.81 3hk9 n ARG 357 Cb 0.34 -1.36 -0.17 0.00 -1.02 0.00 0.00 32.46 30.25 3hk9 n ARG 357 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hk9 s VAL 358 N -2.94 1.87 0.14 1.55 1.01 -1.26 -4.35 120.40 116.41 3hk9 s VAL 358 Ca -0.06 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 3hk9 s VAL 358 Cb 0.09 -1.61 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 3hk9 s VAL 358 CO 0.62 0.52 1.50 0.25 0.00 0.00 0.00 175.10 177.99 3hk9 h LEU 359 N 6.55 -1.95 -1.86 3.92 5.85 -1.18 -1.28 115.31 125.37 3hk9 h LEU 359 Ca -0.25 0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3hk9 h LEU 359 Cb 1.21 0.85 -0.01 0.00 0.37 0.00 0.00 40.66 43.08 3hk9 h LEU 359 CO 0.47 -0.25 0.44 -0.33 -0.34 0.00 0.00 178.44 178.43 3hk9 h GLU 360 N -0.09 0.00 -0.01 1.25 3.07 -1.94 -2.19 114.58 114.68 3hk9 h GLU 360 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3hk9 h GLU 360 Cb 0.42 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3hk9 h GLU 360 CO -0.80 0.00 0.02 1.96 -1.40 0.00 0.00 179.01 178.79 3hk9 h GLN 361 N 0.00 0.00 -0.43 2.33 4.20 -1.63 -0.73 115.11 118.85 3hk9 h GLN 361 Ca 0.10 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.90 3hk9 h GLN 361 Cb 0.99 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 3hk9 h GLN 361 CO -0.00 0.00 0.29 -0.07 -0.67 0.00 0.00 178.83 178.38 3hk9 h LEU 362 N 0.00 0.17 0.44 1.46 3.38 -1.57 0.68 115.31 119.88 3hk9 h LEU 362 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3hk9 h LEU 362 Cb 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hk9 h LEU 362 CO -0.00 0.11 -0.21 0.40 0.09 0.00 0.00 178.44 178.83 3hk9 h ILE 363 N 0.19 0.54 0.02 1.22 2.04 -1.37 -3.02 117.51 117.14 3hk9 h ILE 363 Ca 0.20 -0.30 -0.26 0.00 1.00 0.00 0.00 64.86 65.50 3hk9 h ILE 363 Cb 0.52 0.67 0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3hk9 h ILE 363 CO -0.03 0.05 -1.04 0.10 0.00 0.00 0.00 178.15 177.23 3hk9 h TYR 364 N -0.78 0.88 -0.52 1.37 -0.00 -1.55 -2.16 116.97 114.20 3hk9 h TYR 364 Ca -0.06 -0.49 0.06 0.00 0.00 0.00 0.00 58.73 58.24 3hk9 h TYR 364 Cb 0.54 -0.09 -0.05 0.00 0.00 0.00 0.00 36.73 37.12 3hk9 h TYR 364 CO -0.01 1.32 0.23 0.87 -0.00 0.00 0.00 178.16 180.57 3hk9 h LYS 365 N 0.32 0.43 0.03 0.10 1.79 -0.99 0.13 116.57 118.37 3hk9 h LYS 365 Ca -0.12 -0.03 -0.22 0.00 -2.18 0.00 0.00 60.65 58.11 3hk9 h LYS 365 Cb 1.69 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 32.22 3hk9 h LYS 365 CO 0.19 0.29 -1.01 -1.49 -1.08 0.00 0.00 179.45 176.34 3hk9 h TRP 366 N 0.44 0.18 -0.16 -1.35 4.06 -1.60 -2.35 115.95 115.18 3hk9 h TRP 366 Ca 0.24 -0.12 -0.05 0.00 2.06 0.00 0.00 58.89 61.02 3hk9 h TRP 366 Cb 0.21 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.35 3hk9 h TRP 366 CO -0.13 1.04 -0.11 1.25 -3.56 0.00 0.00 178.44 176.94 3hk9 h HIS 367 N 0.04 0.41 -0.48 0.49 2.76 -1.09 0.16 115.15 117.44 3hk9 h HIS 367 Ca -0.05 -0.11 -0.05 0.00 -2.20 0.00 0.00 60.37 57.96 3hk9 h HIS 367 Cb 1.73 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 30.58 3hk9 h HIS 367 CO 0.02 0.70 0.11 0.45 -1.30 0.00 0.00 177.93 177.91 3hk9 h HIS 368 N 0.01 0.81 -0.09 5.26 3.86 -0.84 -2.84 115.15 121.33 3hk9 h HIS 368 Ca 0.03 -0.10 -0.24 0.00 -1.16 0.00 0.00 60.37 58.90 3hk9 h HIS 368 Cb 0.61 -0.23 0.01 0.00 1.06 0.00 0.00 27.41 28.86 3hk9 h HIS 368 CO 0.07 0.74 -0.87 0.77 0.86 0.00 0.00 177.93 179.50 3hk9 h SER 369 N 0.65 0.92 -0.92 2.45 0.02 -1.42 -3.20 113.55 112.06 3hk9 h SER 369 Ca 0.15 -0.67 0.02 0.00 -0.84 0.00 0.00 61.79 60.45 3hk9 h SER 369 Cb 0.34 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 3hk9 h SER 369 CO 0.00 1.46 0.61 0.11 -1.14 0.00 0.00 176.83 177.87 3hk9 h LYS 370 N 0.46 1.17 -0.50 3.45 1.57 -0.69 0.62 116.57 122.66 3hk9 h LYS 370 Ca -0.08 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.55 3hk9 h LYS 370 Cb 1.52 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 3hk9 h LYS 370 CO 0.18 0.78 -0.01 0.66 -0.57 0.00 0.00 179.45 180.49 3hk9 h SER 371 N 1.21 0.81 -0.11 0.86 4.64 -1.55 0.99 113.55 120.40 3hk9 h SER 371 Ca 0.35 -0.20 -0.07 0.00 -0.47 0.00 0.00 61.79 61.40 3hk9 h SER 371 Cb -0.08 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.80 3hk9 h SER 371 CO -0.09 0.88 -0.19 0.40 -0.87 0.00 0.00 176.83 176.96 3hk9 h ILE 372 N 0.78 1.38 -0.73 0.95 2.04 -1.40 -2.64 117.51 117.90 3hk9 h ILE 372 Ca 0.15 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 3hk9 h ILE 372 Cb 0.48 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 3hk9 h ILE 372 CO 0.02 0.42 0.42 0.40 0.00 0.00 0.00 178.15 179.40 3hk9 h ILE 373 N -0.09 1.21 -0.64 -0.67 2.04 -0.75 -2.15 117.51 116.46 3hk9 h ILE 373 Ca 0.01 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 3hk9 h ILE 373 Cb 0.76 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3hk9 h ILE 373 CO 0.04 0.23 0.28 0.00 0.00 0.00 0.00 178.15 178.70 3hk9 h ALA 374 N 1.45 0.83 -0.53 1.87 0.00 -0.75 -1.47 119.26 120.68 3hk9 h ALA 374 Ca 0.26 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3hk9 h ALA 374 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3hk9 h ALA 374 CO -0.05 0.43 0.09 0.93 0.00 0.00 0.00 179.25 180.65 3hk9 h GLU 375 N 0.89 0.83 -0.19 0.00 4.39 -1.06 -0.22 114.58 119.23 3hk9 h GLU 375 Ca 0.22 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 3hk9 h GLU 375 Cb 0.17 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3hk9 h GLU 375 CO -0.02 0.77 -0.01 0.28 -1.16 0.00 0.00 179.01 178.87 3hk9 h VAL 376 N 0.79 1.26 -0.74 3.13 2.07 -1.11 -2.09 116.25 119.56 3hk9 h VAL 376 Ca 0.17 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.82 3hk9 h VAL 376 Cb 0.34 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 3hk9 h VAL 376 CO 0.00 0.27 0.47 -0.07 0.02 0.00 0.00 177.57 178.26 3hk9 h LEU 377 N 0.08 0.76 -0.34 2.57 3.38 -0.99 -1.35 115.31 119.42 3hk9 h LEU 377 Ca 0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3hk9 h LEU 377 Cb 0.42 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3hk9 h LEU 377 CO 0.01 0.52 0.20 0.40 0.09 0.00 0.00 178.44 179.67 3hk9 h ILE 378 N 0.91 1.04 -0.28 1.22 2.04 -0.90 0.14 117.51 121.67 3hk9 h ILE 378 Ca 0.30 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 66.02 3hk9 h ILE 378 Cb 0.03 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3hk9 h ILE 378 CO -0.12 0.07 0.19 0.44 0.00 0.00 0.00 178.15 178.73 3hk9 h ASP 379 N 0.41 0.32 -0.71 1.72 3.32 -0.91 0.48 116.42 121.05 3hk9 h ASP 379 Ca 0.13 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 3hk9 h ASP 379 Cb -0.00 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3hk9 h ASP 379 CO -0.06 0.23 0.16 0.11 -1.72 0.00 0.00 179.24 177.96 3hk9 h LYS 380 N 0.38 1.14 -0.22 3.56 6.56 -0.86 -0.87 116.57 126.27 3hk9 h LYS 380 Ca 0.10 -0.28 -0.15 0.00 -1.06 0.00 0.00 60.65 59.26 3hk9 h LYS 380 Cb -0.04 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.46 3hk9 h LYS 380 CO -0.02 1.01 -0.49 1.88 -2.06 0.00 0.00 179.45 179.76 3hk9 h TYR 381 N 1.08 0.75 -0.49 -1.35 0.05 -0.61 -2.83 116.97 113.57 3hk9 h TYR 381 Ca 0.22 -0.25 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 3hk9 h TYR 381 Cb 0.39 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 3hk9 h TYR 381 CO 0.03 0.98 0.12 0.22 -1.05 0.00 0.00 178.16 178.46 3hk9 h ASP 382 N 0.48 0.69 -0.34 3.88 3.58 -0.60 -0.32 116.42 123.78 3hk9 h ASP 382 Ca 0.02 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 3hk9 h ASP 382 Cb 1.03 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.89 3hk9 h ASP 382 CO 0.10 0.68 0.14 0.44 -2.88 0.00 0.00 179.24 177.71 3hk9 h ASP 383 N 0.72 0.48 1.56 2.28 3.32 -0.94 -0.11 116.42 123.73 3hk9 h ASP 383 Ca 0.16 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3hk9 h ASP 383 Cb 0.27 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3hk9 h ASP 383 CO -0.00 0.51 -0.20 0.16 -1.72 0.00 0.00 179.24 177.99 3hk9 h ILE 384 N 0.41 0.37 -0.44 0.35 3.07 -1.27 -2.12 117.51 117.88 3hk9 h ILE 384 Ca 0.11 -1.36 -0.09 0.00 1.55 0.00 0.00 64.86 65.08 3hk9 h ILE 384 Cb 0.19 2.05 -0.01 0.00 -0.27 0.00 0.00 36.82 38.77 3hk9 h ILE 384 CO -0.01 0.19 -0.08 0.25 -1.05 0.00 0.00 178.15 177.46 3hk9 h LEU 385 N 0.00 0.82 -1.76 0.16 5.85 -0.79 0.44 115.31 120.04 3hk9 h LEU 385 Ca -0.00 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 3hk9 h LEU 385 Cb 1.03 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3hk9 h LEU 385 CO 0.03 0.98 -0.16 1.56 -0.34 0.00 0.00 178.44 180.51 3hk9 h GLN 386 N 0.66 0.00 -0.11 1.25 1.08 -0.67 -1.13 115.11 116.19 3hk9 h GLN 386 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3hk9 h GLN 386 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3hk9 h GLN 386 CO 0.04 0.16 0.00 0.00 -0.95 0.00 0.00 178.83 178.08 3hk9 n ALA 387 N -2.32 2.54 -0.15 3.87 0.00 -0.81 -4.89 120.51 118.75 3hk9 n ALA 387 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3hk9 n ALA 387 Cb 0.27 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3hk9 n ALA 387 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hk9 n GLY 388 N 0.92 0.63 3.74 0.00 0.00 -0.43 -5.06 105.19 104.99 3hk9 n GLY 388 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3hk9 n GLY 388 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hk9 s TRP 389 N -2.38 3.48 -0.77 1.61 -0.11 0.08 -4.98 118.94 115.87 3hk9 s TRP 389 Ca 0.00 1.47 -0.15 0.00 1.22 0.00 0.00 56.10 58.64 3hk9 s TRP 389 Cb 0.00 -3.38 0.18 0.00 -1.50 0.00 0.00 33.47 28.77 3hk9 s TRP 389 CO 0.00 -1.01 0.76 -2.00 -4.62 0.00 0.00 176.95 170.08 3hk9 s GLU 390 N -0.22 3.45 0.30 5.86 2.12 -1.26 -4.14 118.70 124.81 3hk9 s GLU 390 Ca 0.52 -2.15 -0.28 0.00 0.36 0.00 0.00 54.97 53.43 3hk9 s GLU 390 Cb -0.31 -4.45 -0.09 0.00 0.26 0.00 0.00 34.13 29.53 3hk9 s GLU 390 CO 0.36 -1.38 0.98 0.14 -0.54 0.00 0.00 175.26 174.81 3hk9 s VAL 391 N 0.95 4.00 0.20 3.70 -7.23 -1.26 -5.05 120.40 115.71 3hk9 s VAL 391 Ca 0.17 1.80 0.07 0.00 -1.81 0.00 0.00 61.98 62.21 3hk9 s VAL 391 Cb -0.14 -4.06 -0.04 0.00 0.56 0.00 0.00 36.38 32.69 3hk9 s VAL 391 CO -0.06 0.27 0.04 0.42 -0.31 0.00 0.00 175.10 175.46 3hk9 s THR 392 N -1.42 3.84 0.47 5.32 -4.23 -1.26 -4.50 115.64 113.86 3hk9 s THR 392 Ca 0.47 -1.48 0.15 0.00 -1.18 0.00 0.00 61.69 59.65 3hk9 s THR 392 Cb -0.23 -2.98 0.21 0.00 1.34 0.00 0.00 72.50 70.84 3hk9 s THR 392 CO 0.29 -0.19 2.04 -0.08 -0.54 0.00 0.00 174.62 176.14 3hk9 h GLU 393 N 2.36 0.00 -0.13 3.99 4.81 -1.99 -1.53 114.58 122.10 3hk9 h GLU 393 Ca -0.47 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.60 3hk9 h GLU 393 Cb 1.22 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 3hk9 h GLU 393 CO 0.59 0.12 -0.62 1.49 -0.73 0.00 0.00 179.01 179.87 3hk9 h GLU 394 N 0.00 0.45 -0.17 1.92 4.57 -1.99 -1.56 114.58 117.81 3hk9 h GLU 394 Ca -0.00 -0.31 -0.15 0.00 -1.18 0.00 0.00 59.36 57.72 3hk9 h GLU 394 Cb 0.21 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 3hk9 h GLU 394 CO 0.02 0.93 -0.52 0.93 -1.18 0.00 0.00 179.01 179.18 3hk9 h GLU 395 N 0.33 0.48 -0.39 1.92 5.08 -1.75 -1.88 114.58 118.37 3hk9 h GLU 395 Ca -0.01 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 3hk9 h GLU 395 Cb 1.16 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3hk9 h GLU 395 CO 0.11 0.89 0.12 0.82 -1.00 0.00 0.00 179.01 179.94 3hk9 h ILE 396 N 0.38 1.22 -0.83 3.13 2.04 -1.12 -0.88 117.51 121.44 3hk9 h ILE 396 Ca 0.01 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3hk9 h ILE 396 Cb 1.04 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 3hk9 h ILE 396 CO 0.09 0.25 0.53 0.11 0.00 0.00 0.00 178.15 179.14 3hk9 h LYS 397 N 0.49 1.11 0.56 2.37 1.57 -1.16 -0.90 116.57 120.60 3hk9 h LYS 397 Ca 0.13 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3hk9 h LYS 397 Cb 0.27 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3hk9 h LYS 397 CO -0.00 0.75 -0.38 -0.09 -0.57 0.00 0.00 179.45 179.16 3hk9 h ARG 398 N 1.13 -0.87 -0.42 3.15 2.43 -0.95 -0.76 114.38 118.09 3hk9 h ARG 398 Ca 0.30 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.61 3hk9 h ARG 398 Cb -0.10 0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 3hk9 h ARG 398 CO -0.06 -0.58 0.03 -0.44 -1.51 0.00 0.00 179.97 177.41 3hk9 h ASP 399 N -0.90 -0.10 -0.36 -3.80 3.32 -0.93 -0.53 116.42 113.12 3hk9 h ASP 399 Ca -0.06 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3hk9 h ASP 399 Cb 0.75 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 3hk9 h ASP 399 CO 0.04 -0.02 0.24 0.58 -1.72 0.00 0.00 179.24 178.36 3hk9 h VAL 400 N 0.15 1.10 -0.45 -1.35 2.07 -1.06 -1.22 116.25 115.49 3hk9 h VAL 400 Ca 0.21 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.42 3hk9 h VAL 400 Cb 0.28 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3hk9 h VAL 400 CO -0.32 0.09 -0.20 0.00 0.02 0.00 0.00 177.57 177.17 3hk9 h ALA 401 N 1.77 0.80 0.23 1.67 0.00 0.42 -2.58 119.26 121.56 3hk9 h ALA 401 Ca 0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3hk9 h ALA 401 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hk9 h ALA 401 CO -0.03 0.65 -0.11 -0.44 0.00 0.00 0.00 179.25 179.32 3hk9 h ASP 402 N 0.78 -0.27 -0.98 0.00 3.32 -0.30 -0.06 116.42 118.91 3hk9 h ASP 402 Ca 0.11 -0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.08 3hk9 h ASP 402 Cb 0.74 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.30 3hk9 h ASP 402 CO 0.06 -0.03 0.64 -0.07 -1.72 0.00 0.00 179.24 178.12 3hk9 h LEU 403 N -0.50 1.05 -0.54 1.55 3.38 -1.34 0.17 115.31 119.08 3hk9 h LEU 403 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hk9 h LEU 403 Cb 0.37 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hk9 h LEU 403 CO 0.05 0.69 -0.56 0.49 0.09 0.00 0.00 178.44 179.21 3hk9 n PHE 404 N -4.48 0.00 0.13 1.13 3.72 -0.98 -4.19 117.46 112.78 3hk9 n PHE 404 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 3hk9 n PHE 404 Cb 0.13 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3hk9 n PHE 404 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3hk9 n SER 405 N -0.67 -2.20 -0.32 4.37 2.88 -0.66 -1.41 113.62 115.61 3hk9 n SER 405 Ca 0.08 0.49 -0.02 0.00 -1.33 0.00 0.00 58.87 58.09 3hk9 n SER 405 Cb 0.39 2.25 0.11 0.00 -0.75 0.00 0.00 64.21 66.22 3hk9 n SER 405 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3hk9 h ARG 406 N 0.00 1.08 -0.70 -1.46 3.08 -1.02 -2.81 114.38 112.55 3hk9 h ARG 406 Ca 0.00 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3hk9 h ARG 406 Cb 0.00 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.77 3hk9 h ARG 406 CO 0.00 0.72 0.46 -0.91 -1.07 0.00 0.00 179.97 179.17 3hk9 h ASN 407 N 1.12 0.78 0.32 7.04 2.35 -1.18 0.64 115.58 126.64 3hk9 h ASN 407 Ca 0.34 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 56.06 3hk9 h ASN 407 Cb -0.02 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.16 3hk9 h ASN 407 CO -0.11 0.56 -0.15 0.15 -1.65 0.00 0.00 177.43 176.23 3hk9 h PHE 408 N 0.92 -0.39 -0.66 1.19 3.57 -1.73 -1.46 116.94 118.37 3hk9 h PHE 408 Ca 0.26 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3hk9 h PHE 408 Cb -0.07 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3hk9 h PHE 408 CO -0.00 -0.05 0.38 -1.49 -2.23 0.00 0.00 178.31 174.92 3hk9 h TRP 409 N -0.87 0.88 -0.65 0.41 4.06 -1.43 -0.67 115.95 117.69 3hk9 h TRP 409 Ca -0.04 -0.01 -0.05 0.00 2.06 0.00 0.00 58.89 60.85 3hk9 h TRP 409 Cb 0.52 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 28.37 3hk9 h TRP 409 CO 0.03 0.60 0.19 -0.09 -3.56 0.00 0.00 178.44 175.62 3hk9 h ARG 410 N 0.92 0.99 -0.02 0.49 2.43 -0.90 -0.27 114.38 118.01 3hk9 h ARG 410 Ca 0.24 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3hk9 h ARG 410 Cb -0.01 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3hk9 h ARG 410 CO -0.04 0.86 -0.07 0.35 -1.51 0.00 0.00 179.97 179.55 3hk9 h PHE 411 N 0.96 0.12 0.00 2.20 3.57 -0.15 -3.22 116.94 120.42 3hk9 h PHE 411 Ca 0.21 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3hk9 h PHE 411 Cb 0.28 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.00 3hk9 h PHE 411 CO 0.02 0.69 0.00 -0.39 -2.23 0.00 0.00 178.31 176.40 3hk9 h VAL 412 N -0.49 0.00 -1.21 1.41 -1.51 -1.17 -3.47 116.25 109.81 3hk9 h VAL 412 Ca -0.00 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 3hk9 h VAL 412 Cb 0.69 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 3hk9 h VAL 412 CO 0.02 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 3hk9 n GLY 413 N -0.32 0.50 0.00 5.19 0.00 -0.83 -4.71 105.19 105.02 3hk9 n GLY 413 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3hk9 n GLY 413 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86