#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 5.01 -0.20 -1.33 1.01 -0.42 -4.95 121.20 120.32 3hk9 s ILE 3 Ca 0.00 1.42 0.05 0.00 0.00 0.00 0.00 60.65 62.12 3hk9 s ILE 3 Cb 0.00 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 3hk9 s ILE 3 CO 0.00 0.17 0.19 -0.46 0.00 0.00 0.00 174.94 174.85 3hk9 n ASN 4 N 4.38 0.78 -4.70 3.58 6.94 -1.26 -4.37 115.26 120.62 3hk9 n ASN 4 Ca -0.00 -0.52 -0.32 0.00 -0.02 0.00 0.00 54.58 53.72 3hk9 n ASN 4 Cb 0.50 1.04 -0.08 0.00 -2.36 0.00 0.00 39.78 38.88 3hk9 n ASN 4 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3hk9 s SER 5 N -1.64 5.19 0.29 0.53 1.04 -1.26 -5.02 113.70 112.83 3hk9 s SER 5 Ca 0.01 -0.02 0.06 0.00 0.48 0.00 0.00 55.95 56.48 3hk9 s SER 5 Cb 0.04 -1.35 0.44 0.00 0.10 0.00 0.00 66.02 65.24 3hk9 s SER 5 CO 0.20 0.25 1.70 -0.09 0.98 0.00 0.00 173.24 176.29 3hk9 h ARG 6 N 4.08 0.29 -0.49 4.02 2.43 -1.99 -2.61 114.38 120.10 3hk9 h ARG 6 Ca -0.49 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 58.43 3hk9 h ARG 6 Cb 1.17 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 3hk9 h ARG 6 CO 0.59 0.64 -0.16 1.05 -1.51 0.00 0.00 179.97 180.57 3hk9 h GLU 7 N 0.25 0.96 -0.31 0.20 4.11 -2.00 -1.92 114.58 115.87 3hk9 h GLU 7 Ca 0.03 -0.37 -0.16 0.00 0.07 0.00 0.00 59.36 58.93 3hk9 h GLU 7 Cb 0.79 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3hk9 h GLU 7 CO 0.06 1.04 -0.43 0.28 0.07 0.00 0.00 179.01 180.03 3hk9 h VAL 8 N 0.84 1.29 0.02 -1.06 2.07 -1.98 -2.17 116.25 115.25 3hk9 h VAL 8 Ca 0.12 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3hk9 h VAL 8 Cb 0.72 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3hk9 h VAL 8 CO 0.06 0.53 -0.03 0.25 0.02 0.00 0.00 177.57 178.39 3hk9 h LEU 9 N 0.63 -0.09 -1.18 2.57 5.85 -1.33 0.11 115.31 121.87 3hk9 h LEU 9 Ca 0.04 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3hk9 h LEU 9 Cb 1.00 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3hk9 h LEU 9 CO 0.10 -0.05 0.56 0.00 -0.34 0.00 0.00 178.44 178.70 3hk9 h ALA 10 N 0.91 1.42 0.15 1.25 0.00 -1.31 -0.50 119.26 121.18 3hk9 h ALA 10 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hk9 h ALA 10 Cb 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3hk9 h ALA 10 CO -0.02 0.52 -0.07 1.49 0.00 0.00 0.00 179.25 181.16 3hk9 h GLU 11 N 1.12 -0.20 -0.50 0.00 4.81 -0.74 -1.76 114.58 117.31 3hk9 h GLU 11 Ca 0.32 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.46 3hk9 h GLU 11 Cb -0.08 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3hk9 h GLU 11 CO -0.08 -0.06 -0.11 0.87 -0.73 0.00 0.00 179.01 178.90 3hk9 h LYS 12 N -0.28 0.92 0.49 1.92 1.79 -0.63 -1.72 116.57 119.05 3hk9 h LYS 12 Ca -0.02 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 58.10 3hk9 h LYS 12 Cb 0.22 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3hk9 h LYS 12 CO 0.03 0.97 -0.24 0.28 -1.08 0.00 0.00 179.45 179.42 3hk9 h VAL 13 N 0.82 0.48 -0.59 0.50 2.07 -1.07 0.12 116.25 118.58 3hk9 h VAL 13 Ca 0.13 -0.24 0.08 0.00 0.82 0.00 0.00 66.70 67.50 3hk9 h VAL 13 Cb 0.63 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3hk9 h VAL 13 CO 0.04 0.04 0.39 0.11 0.02 0.00 0.00 177.57 178.18 3hk9 h LYS 14 N -0.81 0.47 -0.17 1.57 1.57 -1.31 0.27 116.57 118.16 3hk9 h LYS 14 Ca -0.07 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 3hk9 h LYS 14 Cb 0.57 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 3hk9 h LYS 14 CO 0.11 0.31 -0.12 -0.91 -0.57 0.00 0.00 179.45 178.27 3hk9 h ASN 15 N 0.49 0.40 -0.40 0.86 4.21 -1.01 -1.38 115.58 118.75 3hk9 h ASN 15 Ca 0.26 -0.45 0.00 0.00 1.21 0.00 0.00 56.30 57.33 3hk9 h ASN 15 Cb 0.40 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.47 3hk9 h ASN 15 CO -0.08 0.76 0.26 0.00 -1.29 0.00 0.00 177.43 177.09 3hk9 h ALA 16 N 0.65 0.51 -0.52 -0.83 0.00 0.11 -0.98 119.26 118.18 3hk9 h ALA 16 Ca 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hk9 h ALA 16 Cb 0.63 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3hk9 h ALA 16 CO 0.03 -0.04 0.32 0.28 0.00 0.00 0.00 179.25 179.84 3hk9 h VAL 17 N 0.54 1.16 -0.00 0.00 2.07 -0.95 -0.79 116.25 118.27 3hk9 h VAL 17 Ca 0.15 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 3hk9 h VAL 17 Cb -0.06 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3hk9 h VAL 17 CO -0.03 0.16 -0.54 0.78 0.02 0.00 0.00 177.57 177.96 3hk9 h ASN 18 N 0.70 0.01 1.25 0.57 -0.26 -1.06 -3.22 115.58 113.58 3hk9 h ASN 18 Ca 0.19 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.88 3hk9 h ASN 18 Cb -0.02 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 3hk9 h ASN 18 CO -0.04 0.55 -0.77 0.78 -1.06 0.00 0.00 177.43 176.89 3hk9 h ASN 19 N 0.01 0.00 -2.50 5.81 2.35 -0.94 -3.46 115.58 116.84 3hk9 h ASN 19 Ca -0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 3hk9 h ASN 19 Cb 0.95 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 3hk9 h ASN 19 CO 0.07 0.14 1.25 -1.58 -1.65 0.00 0.00 177.43 175.66 3hk9 s GLN 20 N -3.22 3.65 0.22 0.81 2.00 -0.32 -4.94 119.66 117.86 3hk9 s GLN 20 Ca 0.01 1.89 -0.32 0.00 -2.00 0.00 0.00 55.36 54.95 3hk9 s GLN 20 Cb 0.08 -4.16 -0.12 0.00 0.80 0.00 0.00 33.01 29.62 3hk9 s GLN 20 CO 0.76 -1.49 1.71 -2.30 -0.50 0.00 0.00 175.29 173.47 3hk9 n PRO 21 N 7.98 2.79 -3.62 1.67 -0.02 -1.26 -4.94 135.00 137.61 3hk9 n PRO 21 Ca 0.22 1.01 -0.37 0.00 -2.02 0.00 0.00 63.50 62.33 3hk9 n PRO 21 Cb 0.45 -2.85 -0.06 0.00 -0.02 0.00 0.00 33.50 31.02 3hk9 n PRO 21 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hk9 s VAL 22 N 1.01 5.17 -0.30 -1.45 1.01 -0.04 -4.70 120.40 121.10 3hk9 s VAL 22 Ca 0.73 0.60 -0.06 0.00 0.00 0.00 0.00 61.98 63.25 3hk9 s VAL 22 Cb -0.50 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.28 3hk9 s VAL 22 CO 0.34 0.55 0.07 -0.89 0.00 0.00 0.00 175.10 175.17 3hk9 s THR 23 N -1.12 3.83 -0.75 3.92 2.01 -0.76 -0.36 115.64 122.42 3hk9 s THR 23 Ca 0.23 -0.82 -0.18 0.00 0.31 0.00 0.00 61.69 61.23 3hk9 s THR 23 Cb -0.15 -3.01 0.14 0.00 0.01 0.00 0.00 72.50 69.48 3hk9 s THR 23 CO 0.12 0.03 0.85 -0.62 -0.69 0.00 0.00 174.62 174.31 3hk9 s ASP 24 N 1.46 6.45 0.00 3.53 -1.08 0.52 -4.75 116.67 122.81 3hk9 s ASP 24 Ca 0.01 -1.89 0.00 0.00 -0.52 0.00 0.00 52.55 50.15 3hk9 s ASP 24 Cb -0.18 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 3hk9 s ASP 24 CO 0.02 -0.99 0.67 1.15 0.52 0.00 0.00 175.17 176.54 3hk9 n MET 25 N 5.89 0.76 -3.15 4.34 0.00 -1.26 -1.22 117.12 122.49 3hk9 n MET 25 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.80 3hk9 n MET 25 Cb 0.46 -1.09 -0.01 0.00 0.00 0.00 0.00 33.22 32.57 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 -1.75 -1.27 0.29 3.17 5.65 -1.26 -4.79 115.29 115.34 3hk9 s HIS 26 Ca 0.00 1.27 0.01 0.00 0.25 0.00 0.00 55.06 56.59 3hk9 s HIS 26 Cb 0.00 0.42 -0.02 0.00 -1.18 0.00 0.00 32.58 31.80 3hk9 s HIS 26 CO 0.00 -0.70 0.31 0.95 -0.65 0.00 0.00 174.74 174.65 3hk9 s THR 27 N 2.89 0.00 -0.22 0.89 -4.23 -0.42 -0.88 115.64 113.67 3hk9 s THR 27 Ca 0.14 -1.85 0.12 0.00 -1.18 0.00 0.00 61.69 58.92 3hk9 s THR 27 Cb -0.13 -2.51 0.44 0.00 1.34 0.00 0.00 72.50 71.64 3hk9 s THR 27 CO -0.18 0.00 1.20 1.41 -0.54 0.00 0.00 174.62 176.50 3hk9 n HIS 28 N -0.50 1.03 -3.65 3.99 8.25 0.18 -2.96 115.22 121.56 3hk9 n HIS 28 Ca 0.04 -1.70 -0.20 0.00 -0.26 0.00 0.00 57.72 55.60 3hk9 n HIS 28 Cb 0.63 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 31.45 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 -3.13 3.94 0.03 2.41 1.43 -1.18 -4.61 118.68 117.57 3hk9 s LEU 29 Ca 0.42 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 3hk9 s LEU 29 Cb 0.38 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 3hk9 s LEU 29 CO -0.04 -0.34 -0.04 -0.36 0.23 0.00 0.00 176.35 175.80 3hk9 s PHE 30 N -2.17 0.41 0.29 0.29 0.08 -1.26 -4.40 117.98 111.22 3hk9 s PHE 30 Ca 0.42 -0.62 -0.29 0.00 0.12 0.00 0.00 56.93 56.56 3hk9 s PHE 30 Cb -0.09 -0.28 -0.13 0.00 -0.57 0.00 0.00 43.02 41.95 3hk9 s PHE 30 CO 0.30 -0.19 1.25 0.45 -0.10 0.00 0.00 175.22 176.92 3hk9 n SER 31 N 1.28 2.32 -0.15 1.36 2.88 -1.26 -4.80 113.62 115.25 3hk9 n SER 31 Ca -0.22 1.18 0.21 0.00 -1.33 0.00 0.00 58.87 58.71 3hk9 n SER 31 Cb 0.56 -1.40 0.60 0.00 -0.75 0.00 0.00 64.21 63.22 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 3.00 0.21 0.00 -1.46 0.13 -1.93 -0.84 132.00 131.11 3hk9 h PRO 32 Ca -0.44 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3hk9 h PRO 32 Cb 1.30 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3hk9 h PRO 32 CO 0.67 0.14 0.00 0.27 -0.23 0.00 0.00 178.00 178.85 3hk9 n ASN 33 N -4.41 0.49 0.00 1.44 6.94 -1.26 -1.97 115.26 116.49 3hk9 n ASN 33 Ca 0.16 0.66 0.10 0.00 -0.02 0.00 0.00 54.58 55.48 3hk9 n ASN 33 Cb 0.70 -0.75 0.51 0.00 -2.36 0.00 0.00 39.78 37.88 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 -2.08 0.00 -1.55 -2.53 3.01 -0.32 -5.00 117.46 108.98 3hk9 n PHE 34 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3hk9 n PHE 34 Cb 0.15 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 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 0.57 -1.73 0.38 1.37 0.00 -0.83 -4.38 105.19 100.55 3hk9 n GLY 35 Ca 0.08 -1.74 0.14 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.05 1.61 4.39 -1.94 -0.98 114.58 117.61 3hk9 h GLU 36 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3hk9 h GLU 36 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3hk9 h GLU 36 CO 0.00 0.00 0.16 0.97 -1.16 0.00 0.00 179.01 178.98 3hk9 h ILE 37 N 0.00 0.14 -3.59 3.13 6.09 -1.96 -3.37 117.51 117.94 3hk9 h ILE 37 Ca 0.12 0.00 -0.63 0.00 -1.37 0.00 0.00 64.86 62.97 3hk9 h ILE 37 Cb 1.53 0.85 -0.13 0.00 0.47 0.00 0.00 36.82 39.54 3hk9 h ILE 37 CO -0.00 0.00 0.26 -0.22 -3.07 0.00 0.00 178.15 175.12 3hk9 s LEU 38 N -6.45 4.30 0.02 2.19 2.96 -0.37 -4.77 118.68 116.55 3hk9 s LEU 38 Ca -0.04 -0.06 -0.21 0.00 -0.22 0.00 0.00 54.13 53.59 3hk9 s LEU 38 Cb 0.12 -2.88 -0.06 0.00 0.50 0.00 0.00 46.19 43.88 3hk9 s LEU 38 CO 0.41 -0.80 0.63 -0.76 -1.32 0.00 0.00 176.35 174.51 3hk9 s LEU 39 N 3.04 4.45 0.11 -0.68 1.43 -1.26 -5.00 118.68 120.77 3hk9 s LEU 39 Ca 0.27 1.25 -0.22 0.00 -1.03 0.00 0.00 54.13 54.39 3hk9 s LEU 39 Cb -0.13 -2.99 0.06 0.00 0.03 0.00 0.00 46.19 43.16 3hk9 s LEU 39 CO 0.20 0.12 0.56 -1.66 0.23 0.00 0.00 176.35 175.79 3hk9 s TRP 40 N -0.34 -0.47 0.00 0.29 1.48 -1.26 -0.35 118.94 118.29 3hk9 s TRP 40 Ca 0.32 0.36 0.00 0.00 -1.06 0.00 0.00 56.10 55.72 3hk9 s TRP 40 Cb -0.19 0.45 0.00 0.00 -1.16 0.00 0.00 33.47 32.57 3hk9 s TRP 40 CO 0.19 -0.76 0.00 -0.40 -4.06 0.00 0.00 176.95 171.92 3hk9 n ASP 41 N -0.06 0.00 -0.21 -2.66 5.68 -1.26 -4.54 116.55 113.51 3hk9 n ASP 41 Ca -0.17 0.00 0.17 0.00 -0.50 0.00 0.00 54.79 54.28 3hk9 n ASP 41 Cb 0.63 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.11 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 0.75 -0.41 2.12 6.09 -1.95 0.16 117.51 124.26 3hk9 h ILE 42 Ca 0.00 -0.15 -0.09 0.00 -1.37 0.00 0.00 64.86 63.25 3hk9 h ILE 42 Cb 0.00 0.28 -0.02 0.00 0.47 0.00 0.00 36.82 37.55 3hk9 h ILE 42 CO 0.00 0.08 -0.12 0.44 -3.07 0.00 0.00 178.15 175.48 3hk9 h ASP 43 N 0.44 0.73 -0.24 2.19 3.45 -1.96 -0.56 116.42 120.46 3hk9 h ASP 43 Ca 0.42 -0.22 -0.16 0.00 0.43 0.00 0.00 57.03 57.49 3hk9 h ASP 43 Cb 0.97 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.54 3hk9 h ASP 43 CO -0.15 0.88 -0.49 -0.33 -1.57 0.00 0.00 179.24 177.58 3hk9 h GLU 44 N 0.67 0.76 -0.55 3.56 4.39 -1.27 -2.59 114.58 119.55 3hk9 h GLU 44 Ca 0.11 -0.49 -0.02 0.00 0.34 0.00 0.00 59.36 59.30 3hk9 h GLU 44 Cb 0.59 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 3hk9 h GLU 44 CO 0.04 1.12 0.28 -0.07 -1.16 0.00 0.00 179.01 179.22 3hk9 h LEU 45 N 0.49 0.71 -1.19 1.33 3.38 -0.97 -2.26 115.31 116.80 3hk9 h LEU 45 Ca 0.01 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3hk9 h LEU 45 Cb 1.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3hk9 h LEU 45 CO 0.11 0.62 -0.18 -0.07 0.09 0.00 0.00 178.44 179.01 3hk9 h LEU 46 N 0.74 0.00 -2.63 1.67 3.38 -1.11 -3.04 115.31 114.32 3hk9 h LEU 46 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3hk9 h LEU 46 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3hk9 h LEU 46 CO -0.03 0.18 0.00 0.35 0.09 0.00 0.00 178.44 179.04 3hk9 n THR 47 N -3.35 0.85 -1.56 0.22 -2.24 -0.98 -4.72 114.28 102.50 3hk9 n THR 47 Ca 0.00 -0.93 -0.43 0.00 -2.27 0.00 0.00 64.05 60.43 3hk9 n THR 47 Cb 0.40 0.65 -0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 1.53 0.78 0.31 4.78 9.36 -0.88 -4.70 117.16 128.35 3hk9 n TYR 48 Ca 0.22 0.65 0.19 0.00 3.32 0.00 0.00 57.90 62.28 3hk9 n TYR 48 Cb 0.60 -2.17 1.03 0.00 -0.63 0.00 0.00 39.34 38.17 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 1.54 0.00 -0.84 2.98 2.07 -1.92 -1.13 115.15 117.86 3hk9 h HIS 49 Ca -0.41 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.11 3hk9 h HIS 49 Cb 1.36 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.30 3hk9 h HIS 49 CO 0.44 0.02 0.52 1.88 -3.07 0.00 0.00 177.93 177.71 3hk9 h TYR 50 N 0.00 1.09 0.00 6.12 -1.99 -1.95 -1.50 116.97 118.75 3hk9 h TYR 50 Ca -0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3hk9 h TYR 50 Cb 0.11 -0.36 -0.00 0.00 2.00 0.00 0.00 36.73 38.47 3hk9 h TYR 50 CO 0.00 0.72 -0.04 -0.07 -0.00 0.00 0.00 178.16 178.77 3hk9 h LEU 51 N 1.15 0.00 -0.01 3.88 4.07 -1.51 -2.86 115.31 120.03 3hk9 h LEU 51 Ca 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.26 3hk9 h LEU 51 Cb -0.07 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 3hk9 h LEU 51 CO -0.06 0.04 -0.00 0.58 -1.08 0.00 0.00 178.44 177.92 3hk9 h VAL 52 N 0.00 1.32 -0.77 1.22 2.07 -0.99 -0.45 116.25 118.64 3hk9 h VAL 52 Ca -0.00 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.64 3hk9 h VAL 52 Cb 0.94 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 32.59 3hk9 h VAL 52 CO 0.01 0.25 0.46 0.00 0.02 0.00 0.00 177.57 178.30 3hk9 h ALA 53 N 0.61 1.06 -0.40 1.67 0.00 -1.31 -2.51 119.26 118.37 3hk9 h ALA 53 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3hk9 h ALA 53 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hk9 h ALA 53 CO 0.00 0.17 -0.29 0.93 0.00 0.00 0.00 179.25 180.06 3hk9 h GLU 54 N 0.84 0.91 -0.16 0.00 5.08 -1.40 -3.15 114.58 116.69 3hk9 h GLU 54 Ca 0.34 -0.44 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 3hk9 h GLU 54 Cb 0.19 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3hk9 h GLU 54 CO -0.18 1.09 -0.29 -0.24 -1.00 0.00 0.00 179.01 178.39 3hk9 h VAL 55 N 0.73 1.26 0.00 3.13 3.04 -0.87 -2.76 116.25 120.78 3hk9 h VAL 55 Ca 0.08 -1.25 -0.00 0.00 -1.01 0.00 0.00 66.70 64.51 3hk9 h VAL 55 Cb 0.87 1.46 -0.00 0.00 -2.01 0.00 0.00 31.29 31.61 3hk9 h VAL 55 CO 0.08 0.38 -0.02 0.24 -1.01 0.00 0.00 177.57 177.24 3hk9 h MET 56 N 0.28 0.00 0.00 4.17 2.86 -1.41 0.55 114.93 121.37 3hk9 h MET 56 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3hk9 h MET 56 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3hk9 h MET 56 CO 0.05 0.02 0.00 0.54 1.06 0.00 0.00 176.91 178.58 3hk9 n ARG 57 N -3.19 0.20 -0.04 1.72 1.74 -1.04 -4.32 116.66 111.73 3hk9 n ARG 57 Ca -0.02 0.20 -0.09 0.00 -0.77 0.00 0.00 57.85 57.18 3hk9 n ARG 57 Cb 0.17 -1.75 -0.03 0.00 -1.02 0.00 0.00 32.46 29.84 3hk9 n ARG 57 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3hk9 n TRP 58 N -2.10 0.00 -1.97 -1.55 5.03 -0.15 -5.06 117.44 111.64 3hk9 n TRP 58 Ca 0.05 0.00 -0.39 0.00 3.03 0.00 0.00 57.50 60.19 3hk9 n TRP 58 Cb 0.38 -0.34 0.00 0.00 -1.03 0.00 0.00 31.31 30.33 3hk9 n TRP 58 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 3hk9 s THR 59 N -2.34 2.45 -2.22 -0.99 -1.32 0.00 -4.92 115.64 106.29 3hk9 s THR 59 Ca -0.16 0.40 0.29 0.00 -1.21 0.00 0.00 61.69 61.01 3hk9 s THR 59 Cb 0.04 -3.23 0.57 0.00 -1.51 0.00 0.00 72.50 68.37 3hk9 s THR 59 CO 0.21 0.06 1.82 -0.90 -2.21 0.00 0.00 174.62 173.60 3hk9 n ASP 60 N -0.01 1.05 -4.70 8.08 3.85 -1.26 -4.82 116.55 118.75 3hk9 n ASP 60 Ca 0.04 -1.22 -0.42 0.00 -0.71 0.00 0.00 54.79 52.48 3hk9 n ASP 60 Cb 0.43 0.01 -0.03 0.00 -1.35 0.00 0.00 41.12 40.18 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 -2.12 4.03 0.67 2.12 1.01 -1.26 -4.99 120.40 119.86 3hk9 s VAL 61 Ca 0.37 1.42 -0.16 0.00 0.00 0.00 0.00 61.98 63.61 3hk9 s VAL 61 Cb 0.21 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.69 3hk9 s VAL 61 CO 0.38 0.05 1.15 -0.94 0.00 0.00 0.00 175.10 175.75 3hk9 s SER 62 N 1.34 4.82 0.23 3.32 1.04 -1.26 -4.82 113.70 118.37 3hk9 s SER 62 Ca 0.59 2.18 -0.07 0.00 0.48 0.00 0.00 55.95 59.12 3hk9 s SER 62 Cb -0.28 -2.57 0.29 0.00 0.10 0.00 0.00 66.02 63.55 3hk9 s SER 62 CO 0.26 -1.83 1.84 -0.29 0.98 0.00 0.00 173.24 174.20 3hk9 h ILE 63 N 0.07 1.04 -0.82 -1.02 6.09 -1.96 -0.08 117.51 120.82 3hk9 h ILE 63 Ca -0.48 -0.31 -0.02 0.00 -1.37 0.00 0.00 64.86 62.69 3hk9 h ILE 63 Cb 1.27 0.07 -0.04 0.00 0.47 0.00 0.00 36.82 38.59 3hk9 h ILE 63 CO 0.53 0.16 0.44 -0.33 -3.07 0.00 0.00 178.15 175.88 3hk9 h GLU 64 N 0.89 1.14 -0.49 2.19 3.07 -1.92 -0.26 114.58 119.20 3hk9 h GLU 64 Ca 0.34 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 58.97 3hk9 h GLU 64 Cb 0.15 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 3hk9 h GLU 64 CO -0.16 0.84 -0.07 0.00 -1.40 0.00 0.00 179.01 178.22 3hk9 h ALA 65 N 1.34 0.95 0.40 3.43 0.00 -1.66 -0.94 119.26 122.77 3hk9 h ALA 65 Ca 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hk9 h ALA 65 Cb 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3hk9 h ALA 65 CO -0.04 0.62 -0.24 0.35 0.00 0.00 0.00 179.25 179.94 3hk9 h PHE 66 N 0.79 -0.63 0.00 0.00 3.57 -0.02 -1.62 116.94 119.04 3hk9 h PHE 66 Ca 0.14 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3hk9 h PHE 66 Cb 0.57 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 3hk9 h PHE 66 CO 0.03 -0.37 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.21 3hk9 h TRP 67 N -0.61 0.00 0.00 0.41 -0.00 -0.95 -2.18 115.95 112.62 3hk9 h TRP 67 Ca -0.05 0.00 -0.17 0.00 -0.00 0.00 0.00 58.89 58.67 3hk9 h TRP 67 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.63 3hk9 h TRP 67 CO -0.09 0.04 -0.82 0.00 -0.00 0.00 0.00 178.44 177.58 3hk9 h ALA 68 N 1.96 0.64 -2.33 1.49 0.00 -0.37 -3.46 119.26 117.18 3hk9 h ALA 68 Ca -0.00 -0.74 -0.50 0.00 0.00 0.00 0.00 54.91 53.66 3hk9 h ALA 68 Cb 0.13 -0.13 0.06 0.00 0.00 0.00 0.00 17.79 17.84 3hk9 h ALA 68 CO 0.01 1.02 0.40 0.00 0.00 0.00 0.00 179.25 180.68 3hk9 s MET 69 N -3.11 3.57 0.99 0.00 0.23 -0.68 -5.04 119.30 115.25 3hk9 s MET 69 Ca 0.00 0.82 -0.12 0.00 -1.03 0.00 0.00 55.69 55.37 3hk9 s MET 69 Cb 0.11 -2.08 0.19 0.00 -1.53 0.00 0.00 34.83 31.52 3hk9 s MET 69 CO 0.79 -0.59 1.08 -1.54 -2.03 0.00 0.00 175.02 172.73 3hk9 s SER 70 N -3.90 2.50 0.18 -1.18 1.04 -1.26 -4.75 113.70 106.33 3hk9 s SER 70 Ca 0.56 1.57 -0.13 0.00 0.48 0.00 0.00 55.95 58.44 3hk9 s SER 70 Cb -0.11 -2.24 0.08 0.00 0.10 0.00 0.00 66.02 63.85 3hk9 s SER 70 CO 0.50 -3.26 1.82 0.50 0.98 0.00 0.00 173.24 173.78 3hk9 h LYS 71 N -1.98 0.78 -0.03 4.02 3.64 -1.96 -0.22 116.57 120.83 3hk9 h LYS 71 Ca -0.53 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 58.73 3hk9 h LYS 71 Cb 1.30 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 3hk9 h LYS 71 CO 0.51 0.55 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.88 3hk9 h ARG 72 N 0.79 0.05 -0.09 1.90 2.43 -1.94 -0.93 114.38 116.59 3hk9 h ARG 72 Ca 0.21 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.20 3hk9 h ARG 72 Cb -0.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3hk9 h ARG 72 CO -0.04 0.33 -0.66 0.93 -1.51 0.00 0.00 179.97 179.02 3hk9 h GLU 73 N 0.05 0.37 -0.20 0.20 5.08 -1.71 -1.92 114.58 116.46 3hk9 h GLU 73 Ca 0.01 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 3hk9 h GLU 73 Cb 0.52 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 3hk9 h GLU 73 CO 0.04 0.90 -0.23 1.96 -1.00 0.00 0.00 179.01 180.68 3hk9 h GLN 74 N 0.27 0.50 -0.90 2.33 4.20 -0.54 -2.47 115.11 118.50 3hk9 h GLN 74 Ca -0.02 -0.28 0.03 0.00 0.06 0.00 0.00 58.65 58.44 3hk9 h GLN 74 Cb 1.21 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.95 3hk9 h GLN 74 CO 0.11 0.87 0.59 0.00 -0.67 0.00 0.00 178.83 179.73 3hk9 h ALA 75 N 0.63 1.18 -0.68 3.87 0.00 -1.15 -0.87 119.26 122.23 3hk9 h ALA 75 Ca 0.03 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3hk9 h ALA 75 Cb 0.79 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3hk9 h ALA 75 CO 0.06 0.47 0.16 -0.44 0.00 0.00 0.00 179.25 179.50 3hk9 h ASP 76 N 1.16 1.03 -0.18 0.00 3.32 -1.27 -0.34 116.42 120.15 3hk9 h ASP 76 Ca 0.35 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3hk9 h ASP 76 Cb -0.04 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 3hk9 h ASP 76 CO -0.11 1.00 -0.04 0.25 -1.72 0.00 0.00 179.24 178.62 3hk9 h LEU 77 N 1.04 0.34 -0.26 1.55 5.85 -0.92 -1.99 115.31 120.92 3hk9 h LEU 77 Ca 0.21 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3hk9 h LEU 77 Cb 0.37 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3hk9 h LEU 77 CO 0.00 0.62 0.15 0.40 -0.34 0.00 0.00 178.44 179.27 3hk9 h ILE 78 N 0.06 1.12 -0.52 4.05 2.04 -1.06 0.24 117.51 123.43 3hk9 h ILE 78 Ca 0.05 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.66 3hk9 h ILE 78 Cb 0.47 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 3hk9 h ILE 78 CO 0.02 0.12 0.23 -0.25 0.00 0.00 0.00 178.15 178.26 3hk9 h TRP 79 N 0.32 0.42 -0.09 1.37 2.91 -1.05 0.28 115.95 120.10 3hk9 h TRP 79 Ca 0.09 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.11 3hk9 h TRP 79 Cb 0.06 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 28.59 3hk9 h TRP 79 CO -0.04 0.18 -0.04 1.49 -1.03 0.00 0.00 178.44 179.00 3hk9 h GLU 80 N 0.45 0.19 -0.39 2.65 4.57 -1.06 -1.14 114.58 119.84 3hk9 h GLU 80 Ca 0.24 -0.08 -0.15 0.00 -1.18 0.00 0.00 59.36 58.19 3hk9 h GLU 80 Cb 0.20 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3hk9 h GLU 80 CO -0.20 0.53 -0.36 0.93 -1.18 0.00 0.00 179.01 178.72 3hk9 h GLU 81 N -0.16 0.93 0.00 1.92 4.39 -0.29 -0.02 114.58 121.34 3hk9 h GLU 81 Ca 0.02 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3hk9 h GLU 81 Cb 0.47 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3hk9 h GLU 81 CO 0.01 1.14 -1.77 1.28 -1.16 0.00 0.00 179.01 178.51 3hk9 n LEU 82 N -4.08 0.20 -0.05 1.33 4.77 0.98 -3.97 117.00 116.17 3hk9 n LEU 82 Ca -0.02 -0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 55.79 3hk9 n LEU 82 Cb 0.53 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 3hk9 n LEU 82 CO 0.48 0.05 -0.86 0.49 -1.33 0.00 0.00 177.39 176.22 3hk9 n PHE 83 N -2.09 0.00 -0.09 -1.77 3.72 -0.47 -3.25 117.46 113.51 3hk9 n PHE 83 Ca -0.02 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.15 3hk9 n PHE 83 Cb 0.51 -0.46 -0.12 0.00 -0.94 0.00 0.00 39.48 38.47 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 -2.68 1.59 0.18 4.37 2.08 -0.95 -4.33 119.36 119.62 3hk9 n ILE 84 Ca -0.19 -0.33 0.06 0.00 0.56 0.00 0.00 62.75 62.86 3hk9 n ILE 84 Cb 0.75 -1.86 0.23 0.00 -0.75 0.00 0.00 39.64 38.01 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 -0.61 0.00 -3.73 0.38 1.57 -1.18 -3.45 116.57 109.56 3hk9 h LYS 85 Ca -0.47 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.15 3hk9 h LYS 85 Cb 1.63 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.72 3hk9 h LYS 85 CO -0.17 0.35 -0.60 1.03 -0.57 0.00 0.00 179.45 179.49 3hk9 s ARG 86 N -3.30 0.36 0.26 3.15 3.00 -1.25 -5.06 118.95 116.10 3hk9 s ARG 86 Ca 0.03 -0.44 -0.30 0.00 0.00 0.00 0.00 55.73 55.01 3hk9 s ARG 86 Cb 0.09 0.14 -0.10 0.00 0.00 0.00 0.00 34.95 35.08 3hk9 s ARG 86 CO 0.69 -0.07 1.46 -1.12 0.00 0.00 0.00 175.30 176.26 3hk9 s SER 87 N -1.27 6.61 -1.14 0.23 0.01 -1.26 -3.56 113.70 113.32 3hk9 s SER 87 Ca -0.14 2.71 -0.09 0.00 1.31 0.00 0.00 55.95 59.74 3hk9 s SER 87 Cb -0.08 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.46 3hk9 s SER 87 CO 0.00 -0.73 2.34 -0.81 0.41 0.00 0.00 173.24 174.45 3hk9 n PRO 88 N 2.27 2.54 0.05 12.44 -0.04 -1.20 -4.60 135.00 146.46 3hk9 n PRO 88 Ca 0.07 -1.80 0.13 0.00 -0.04 0.00 0.00 63.50 61.86 3hk9 n PRO 88 Cb 0.40 -2.67 0.31 0.00 -0.04 0.00 0.00 33.50 31.50 3hk9 n PRO 88 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3hk9 n VAL 89 N 4.30 0.27 -1.40 0.52 0.24 -1.26 -3.61 118.33 117.39 3hk9 n VAL 89 Ca 0.55 -0.17 -0.32 0.00 -2.04 0.00 0.00 64.34 62.36 3hk9 n VAL 89 Cb 0.21 -0.20 0.09 0.00 -1.47 0.00 0.00 33.84 32.47 3hk9 n VAL 89 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3hk9 s SER 90 N -3.82 4.44 0.23 -1.34 1.04 -1.26 -4.75 113.70 108.24 3hk9 s SER 90 Ca 0.09 2.05 -0.07 0.00 0.48 0.00 0.00 55.95 58.51 3hk9 s SER 90 Cb 0.15 -2.55 0.27 0.00 0.10 0.00 0.00 66.02 63.99 3hk9 s SER 90 CO 0.66 -2.09 1.87 -0.08 0.98 0.00 0.00 173.24 174.58 3hk9 h GLU 91 N -0.63 0.99 -0.57 4.02 4.57 -1.97 0.14 114.58 121.13 3hk9 h GLU 91 Ca -0.45 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 57.56 3hk9 h GLU 91 Cb 1.26 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 3hk9 h GLU 91 CO 0.51 0.66 -0.04 0.00 -1.18 0.00 0.00 179.01 178.95 3hk9 h ALA 92 N 1.36 0.77 -0.35 2.92 0.00 -1.95 -0.62 119.26 121.39 3hk9 h ALA 92 Ca 0.34 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3hk9 h ALA 92 Cb 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hk9 h ALA 92 CO -0.13 0.64 -0.42 0.00 0.00 0.00 0.00 179.25 179.34 3hk9 h ARG 94 N 0.70 1.08 -0.21 0.00 2.43 -0.59 -2.60 114.38 115.19 3hk9 h ARG 94 Ca 0.05 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3hk9 h ARG 94 Cb 1.01 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 3hk9 h ARG 94 CO 0.10 0.71 0.10 0.78 -1.51 0.00 0.00 179.97 180.15 3hk9 h GLY 95 N 1.11 0.27 0.37 2.80 0.00 -0.80 -1.30 103.07 105.51 3hk9 h GLY 95 Ca 0.38 -0.07 0.11 0.00 0.00 0.00 0.00 47.33 47.75 3hk9 h GLY 95 CO -0.13 0.05 0.31 -2.08 0.00 0.00 0.00 176.54 174.70 3hk9 h VAL 96 N 0.21 0.78 -0.21 4.60 2.07 -1.24 -1.11 116.25 121.35 3hk9 h VAL 96 Ca 0.09 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3hk9 h VAL 96 Cb 0.03 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3hk9 h VAL 96 CO -0.07 0.09 0.11 -0.07 0.02 0.00 0.00 177.57 177.66 3hk9 h LEU 97 N 0.52 0.26 -1.17 2.57 3.38 -1.29 -1.83 115.31 117.76 3hk9 h LEU 97 Ca 0.36 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.34 3hk9 h LEU 97 Cb 0.44 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 3hk9 h LEU 97 CO -0.31 0.28 0.59 0.74 0.09 0.00 0.00 178.44 179.82 3hk9 h THR 98 N 0.23 0.97 0.35 0.22 2.02 -0.54 -0.88 112.91 115.29 3hk9 h THR 98 Ca 0.07 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 3hk9 h THR 98 Cb 0.07 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 3hk9 h THR 98 CO -0.01 0.17 -0.17 0.00 0.37 0.00 0.00 175.52 175.88 3hk9 h LEU 100 N -0.66 0.36 -0.45 0.00 3.38 -0.87 -1.81 115.31 115.25 3hk9 h LEU 100 Ca -0.05 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hk9 h LEU 100 Cb 0.47 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3hk9 h LEU 100 CO 0.08 0.22 0.16 -0.61 0.09 0.00 0.00 178.44 178.37 3hk9 h GLN 101 N 0.51 0.68 -0.25 1.13 4.15 -1.13 -0.43 115.11 119.77 3hk9 h GLN 101 Ca 0.31 -0.14 0.01 0.00 0.77 0.00 0.00 58.65 59.60 3hk9 h GLN 101 Cb 0.32 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 3hk9 h GLN 101 CO -0.26 0.64 0.17 0.78 -1.93 0.00 0.00 178.83 178.23 3hk9 h GLY 102 N 0.58 0.34 1.34 2.39 0.00 -0.42 -1.23 103.07 106.07 3hk9 h GLY 102 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3hk9 h GLY 102 CO -0.01 0.12 0.00 1.04 0.00 0.00 0.00 176.54 177.69 3hk9 n LEU 103 N -4.50 0.00 0.00 3.11 4.77 -0.75 -4.86 117.00 114.77 3hk9 n LEU 103 Ca 0.01 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3hk9 n LEU 103 Cb 0.08 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3hk9 n LEU 103 CO 0.35 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3hk9 n GLY 104 N 1.09 0.64 3.90 -0.72 0.00 -0.47 -5.07 105.19 104.56 3hk9 n GLY 104 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 3.09 -0.32 0.99 1.43 -0.19 -5.00 118.68 118.69 3hk9 s LEU 105 Ca 0.00 0.98 0.03 0.00 -1.03 0.00 0.00 54.13 54.11 3hk9 s LEU 105 Cb 0.00 -3.82 0.09 0.00 0.03 0.00 0.00 46.19 42.49 3hk9 s LEU 105 CO 0.00 -1.16 0.03 -0.62 0.23 0.00 0.00 176.35 174.83 3hk9 s ASP 106 N -4.31 4.55 0.64 2.29 2.15 -1.26 -3.91 116.67 116.82 3hk9 s ASP 106 Ca 0.56 -1.90 0.37 0.00 0.43 0.00 0.00 52.55 52.00 3hk9 s ASP 106 Cb -0.11 -1.48 2.06 0.00 -0.30 0.00 0.00 42.92 43.09 3hk9 s ASP 106 CO 0.49 -0.35 2.22 -0.65 -0.17 0.00 0.00 175.17 176.71 3hk9 h PRO 107 N 7.73 0.00 -0.69 4.34 0.11 -1.91 -2.79 132.00 138.79 3hk9 h PRO 107 Ca -0.09 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.06 3hk9 h PRO 107 Cb 1.03 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 3hk9 h PRO 107 CO 0.50 0.00 0.45 0.00 -0.21 0.00 0.00 178.00 178.74 3hk9 h ALA 108 N 1.82 1.62 0.00 -0.75 0.00 -2.01 -2.00 119.26 117.94 3hk9 h ALA 108 Ca 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3hk9 h ALA 108 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hk9 h ALA 108 CO -0.00 0.30 -0.24 1.79 0.00 0.00 0.00 179.25 181.10 3hk9 h THR 109 N 0.81 0.46 -2.74 0.00 1.35 -1.94 -3.47 112.91 107.38 3hk9 h THR 109 Ca 0.28 -1.45 -0.37 0.00 -0.55 0.00 0.00 66.41 64.32 3hk9 h THR 109 Cb 0.09 2.06 -0.05 0.00 -1.73 0.00 0.00 68.15 68.52 3hk9 h THR 109 CO -0.08 0.24 -0.45 0.54 -0.25 0.00 0.00 175.52 175.52 3hk9 n ARG 110 N -3.22 -1.74 -2.87 4.72 1.74 -0.75 -4.89 116.66 109.65 3hk9 n ARG 110 Ca 0.02 0.94 -0.44 0.00 -0.77 0.00 0.00 57.85 57.61 3hk9 n ARG 110 Cb 0.56 -5.52 -0.01 0.00 -1.02 0.00 0.00 32.46 26.47 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 -2.17 6.84 0.34 0.55 -1.08 -1.26 -4.85 116.67 115.03 3hk9 s ASP 111 Ca 0.00 -2.46 0.02 0.00 -0.52 0.00 0.00 52.55 49.59 3hk9 s ASP 111 Cb 0.00 -2.43 0.60 0.00 -1.46 0.00 0.00 42.92 39.62 3hk9 s ASP 111 CO 0.00 -0.97 1.98 0.25 0.52 0.00 0.00 175.17 176.95 3hk9 h LEU 112 N 10.53 0.79 -0.83 -1.34 5.85 -1.98 -2.06 115.31 126.27 3hk9 h LEU 112 Ca 0.26 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 3hk9 h LEU 112 Cb 0.94 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3hk9 h LEU 112 CO 1.23 0.56 -0.04 1.56 -0.34 0.00 0.00 178.44 181.41 3hk9 h GLN 113 N 0.92 0.83 -0.42 1.25 1.08 -2.00 -0.89 115.11 115.89 3hk9 h GLN 113 Ca 0.28 -0.25 -0.13 0.00 -1.45 0.00 0.00 58.65 57.09 3hk9 h GLN 113 Cb -0.02 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 3hk9 h GLN 113 CO -0.07 0.86 -0.27 0.28 -0.95 0.00 0.00 178.83 178.68 3hk9 h VAL 114 N 0.77 1.27 -0.38 -0.54 2.07 -1.84 -2.38 116.25 115.22 3hk9 h VAL 114 Ca 0.14 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 3hk9 h VAL 114 Cb 0.52 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3hk9 h VAL 114 CO 0.03 0.48 0.23 1.88 0.02 0.00 0.00 177.57 180.22 3hk9 h TYR 115 N 0.76 0.49 -0.88 1.57 0.05 -1.01 -2.38 116.97 115.57 3hk9 h TYR 115 Ca 0.09 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.95 3hk9 h TYR 115 Cb 0.83 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 38.35 3hk9 h TYR 115 CO 0.05 0.34 0.57 0.00 -1.05 0.00 0.00 178.16 178.07 3hk9 h ARG 116 N 0.50 0.92 0.00 4.88 3.08 -0.99 -1.94 114.38 120.83 3hk9 h ARG 116 Ca 0.14 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3hk9 h ARG 116 Cb -0.01 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 3hk9 h ARG 116 CO -0.03 0.61 -0.03 0.93 -1.07 0.00 0.00 179.97 180.38 3hk9 h GLU 117 N 0.95 0.00 -0.42 0.04 5.08 -0.90 -2.61 114.58 116.72 3hk9 h GLU 117 Ca 0.39 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 3hk9 h GLU 117 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3hk9 h GLU 117 CO -0.15 0.03 0.23 -0.92 -1.00 0.00 0.00 179.01 177.20 3hk9 h TYR 118 N 0.00 0.59 -0.07 4.33 3.20 -1.27 -3.05 116.97 120.69 3hk9 h TYR 118 Ca -0.00 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.70 3hk9 h TYR 118 Cb 0.05 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3hk9 h TYR 118 CO 0.00 0.45 -0.63 0.74 -1.64 0.00 0.00 178.16 177.08 3hk9 h PHE 119 N 0.55 0.35 0.00 -3.82 0.04 -1.55 -3.19 116.94 109.31 3hk9 h PHE 119 Ca 0.15 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 3hk9 h PHE 119 Cb 0.06 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3hk9 h PHE 119 CO -0.02 0.82 -0.01 0.00 -0.60 0.00 0.00 178.31 178.50 3hk9 h ALA 120 N 1.15 1.05 -0.67 2.45 0.00 -1.38 -2.62 119.26 119.23 3hk9 h ALA 120 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hk9 h ALA 120 Cb 1.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3hk9 h ALA 120 CO 0.10 0.02 0.00 0.36 0.00 0.00 0.00 179.25 179.73 3hk9 n LYS 121 N -3.18 3.20 -4.34 0.00 2.85 -1.20 -4.95 118.16 110.54 3hk9 n LYS 121 Ca -0.02 -2.69 -0.18 0.00 -1.05 0.00 0.00 58.31 54.37 3hk9 n LYS 121 Cb 0.16 -1.73 -0.10 0.00 -0.65 0.00 0.00 35.03 32.71 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 -1.47 1.31 0.55 -1.58 1.02 -0.99 -5.14 119.74 113.43 3hk9 s LYS 122 Ca 0.49 -1.58 0.07 0.00 0.02 0.00 0.00 55.97 54.96 3hk9 s LYS 122 Cb 0.29 -1.05 0.06 0.00 -0.52 0.00 0.00 37.83 36.61 3hk9 s LYS 122 CO 0.28 0.16 0.76 0.95 -0.92 0.00 0.00 175.35 176.58 3hk9 s THR 123 N -3.03 2.46 0.11 2.17 -4.23 -1.26 -4.97 115.64 106.89 3hk9 s THR 123 Ca 0.22 -0.90 -0.14 0.00 -1.18 0.00 0.00 61.69 59.69 3hk9 s THR 123 Cb -0.00 -2.56 -0.06 0.00 1.34 0.00 0.00 72.50 71.21 3hk9 s THR 123 CO 0.06 0.00 1.46 0.28 -0.54 0.00 0.00 174.62 175.88 3hk9 h SER 124 N 0.19 0.78 -0.36 3.99 0.02 -1.97 -2.38 113.55 113.82 3hk9 h SER 124 Ca -0.35 -0.44 -0.04 0.00 -0.84 0.00 0.00 61.79 60.12 3hk9 h SER 124 Cb 1.28 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 3hk9 h SER 124 CO 0.43 1.06 0.11 -0.33 -1.14 0.00 0.00 176.83 176.96 3hk9 h GLU 125 N 0.51 0.64 -0.20 3.45 3.07 -1.95 -2.22 114.58 117.88 3hk9 h GLU 125 Ca 0.06 -0.11 -0.16 0.00 -0.50 0.00 0.00 59.36 58.66 3hk9 h GLU 125 Cb 0.80 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 3hk9 h GLU 125 CO 0.06 0.58 -0.49 0.93 -1.40 0.00 0.00 179.01 178.69 3hk9 h GLU 126 N 0.62 0.68 -0.16 2.33 5.08 -1.93 -2.85 114.58 118.35 3hk9 h GLU 126 Ca 0.14 -0.47 -0.09 0.00 -1.00 0.00 0.00 59.36 57.95 3hk9 h GLU 126 Cb 0.22 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3hk9 h GLU 126 CO -0.00 1.09 -0.29 0.37 -1.00 0.00 0.00 179.01 179.18 3hk9 h GLN 127 N 0.38 0.30 -0.05 2.33 5.75 -1.23 -0.61 115.11 121.98 3hk9 h GLN 127 Ca -0.00 -0.11 -0.14 0.00 -0.15 0.00 0.00 58.65 58.24 3hk9 h GLN 127 Cb 1.10 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 3hk9 h GLN 127 CO 0.11 0.57 -0.61 -0.39 -2.65 0.00 0.00 178.83 175.86 3hk9 h VAL 128 N 0.27 1.40 -0.05 2.39 -1.51 -1.43 0.18 116.25 117.50 3hk9 h VAL 128 Ca 0.04 -2.01 -0.01 0.00 -1.23 0.00 0.00 66.70 63.49 3hk9 h VAL 128 Cb 0.65 2.04 -0.00 0.00 -2.13 0.00 0.00 31.29 31.85 3hk9 h VAL 128 CO 0.05 0.59 0.00 0.44 -1.23 0.00 0.00 177.57 177.42 3hk9 h ASP 129 N 0.12 0.08 0.16 4.19 3.32 -1.18 -0.16 116.42 122.95 3hk9 h ASP 129 Ca -0.01 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3hk9 h ASP 129 Cb 1.10 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 3hk9 h ASP 129 CO 0.09 0.34 -0.13 0.74 -1.72 0.00 0.00 179.24 178.56 3hk9 h THR 130 N -0.19 0.71 -0.52 0.35 2.02 -0.92 -2.29 112.91 112.07 3hk9 h THR 130 Ca 0.01 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 3hk9 h THR 130 Cb 0.30 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3hk9 h THR 130 CO 0.00 0.00 0.06 0.58 0.37 0.00 0.00 175.52 176.53 3hk9 h VAL 131 N -0.30 1.26 -0.13 3.16 2.07 -0.65 -1.24 116.25 120.41 3hk9 h VAL 131 Ca -0.00 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 3hk9 h VAL 131 Cb 0.28 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3hk9 h VAL 131 CO -0.02 0.36 -0.17 -0.07 0.02 0.00 0.00 177.57 177.69 3hk9 h LEU 132 N 0.76 0.19 -0.05 2.57 3.38 -1.00 -0.64 115.31 120.52 3hk9 h LEU 132 Ca 0.15 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3hk9 h LEU 132 Cb 0.45 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.15 3hk9 h LEU 132 CO 0.02 0.39 -0.37 -0.61 0.09 0.00 0.00 178.44 177.96 3hk9 h GLN 133 N 0.19 0.34 -0.19 1.13 4.15 -1.18 -1.52 115.11 118.03 3hk9 h GLN 133 Ca 0.04 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 3hk9 h GLN 133 Cb 0.42 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 3hk9 h GLN 133 CO 0.03 0.95 0.07 -0.07 -1.93 0.00 0.00 178.83 177.88 3hk9 h LEU 134 N -0.18 0.26 -0.01 -2.39 3.38 -1.01 -2.50 115.31 112.87 3hk9 h LEU 134 Ca -0.03 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3hk9 h LEU 134 Cb 1.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3hk9 h LEU 134 CO 0.07 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.96 3hk9 n ALA 135 N -2.23 2.67 -4.09 1.53 0.00 -0.27 -4.91 120.51 113.21 3hk9 n ALA 135 Ca -0.04 -0.18 -0.28 0.00 0.00 0.00 0.00 53.44 52.94 3hk9 n ALA 135 Cb 0.12 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.05 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 -0.95 0.06 -4.53 0.00 5.15 -0.84 -4.79 115.26 109.35 3hk9 n ASN 136 Ca 0.22 -1.10 -0.35 0.00 -0.60 0.00 0.00 54.58 52.74 3hk9 n ASN 136 Cb 0.10 -2.53 -0.11 0.00 -0.53 0.00 0.00 39.78 36.71 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 -4.09 4.49 -0.16 3.44 1.01 -0.63 -0.86 120.40 123.59 3hk9 s VAL 137 Ca 0.03 -0.13 0.17 0.00 0.00 0.00 0.00 61.98 62.05 3hk9 s VAL 137 Cb -0.01 -3.05 -0.25 0.00 0.00 0.00 0.00 36.38 33.07 3hk9 s VAL 137 CO 0.93 0.40 0.22 -1.54 0.00 0.00 0.00 175.10 175.11 3hk9 n SER 138 N 4.19 0.21 -3.82 3.32 3.41 0.51 -4.73 113.62 116.71 3hk9 n SER 138 Ca -0.16 0.10 -0.17 0.00 -0.26 0.00 0.00 58.87 58.37 3hk9 n SER 138 Cb 0.52 0.77 -0.16 0.00 -0.26 0.00 0.00 64.21 65.08 3hk9 n SER 138 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hk9 s ASP 139 N -5.61 0.47 -0.15 4.04 1.01 -1.06 -4.72 116.67 110.65 3hk9 s ASP 139 Ca -0.09 -0.03 -0.00 0.00 0.71 0.00 0.00 52.55 53.14 3hk9 s ASP 139 Cb 0.07 -0.23 -0.00 0.00 1.01 0.00 0.00 42.92 43.76 3hk9 s ASP 139 CO 0.83 -0.10 -0.14 -0.69 0.21 0.00 0.00 175.17 175.28 3hk9 s VAL 140 N 1.03 2.76 -0.27 -1.27 1.01 -0.04 -0.35 120.40 123.26 3hk9 s VAL 140 Ca -0.10 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 3hk9 s VAL 140 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3hk9 s VAL 140 CO -0.02 0.51 0.28 -0.69 0.00 0.00 0.00 175.10 175.19 3hk9 s VAL 141 N 0.77 5.25 0.86 2.92 1.01 -0.36 0.18 120.40 131.03 3hk9 s VAL 141 Ca -0.06 0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 3hk9 s VAL 141 Cb -0.15 -3.61 0.16 0.00 0.00 0.00 0.00 36.38 32.77 3hk9 s VAL 141 CO 0.01 0.21 1.19 -0.04 0.00 0.00 0.00 175.10 176.48 3hk9 s MET 142 N 1.83 1.15 -0.29 2.72 -1.94 0.15 -1.29 119.30 121.63 3hk9 s MET 142 Ca 0.11 -0.56 0.03 0.00 -1.71 0.00 0.00 55.69 53.56 3hk9 s MET 142 Cb -0.16 -2.02 0.07 0.00 2.01 0.00 0.00 34.83 34.74 3hk9 s MET 142 CO 0.10 -1.99 -0.05 0.99 -0.01 0.00 0.00 175.02 174.06 3hk9 s THR 143 N -3.60 2.29 -0.33 2.05 2.01 -1.16 -3.50 115.64 113.40 3hk9 s THR 143 Ca 0.70 -1.83 -0.06 0.00 0.31 0.00 0.00 61.69 60.80 3hk9 s THR 143 Cb -0.05 -2.45 0.03 0.00 0.01 0.00 0.00 72.50 70.04 3hk9 s THR 143 CO 0.50 -0.22 0.09 0.20 -0.69 0.00 0.00 174.62 174.50 3hk9 s ASN 144 N 1.07 5.25 -0.48 3.53 -0.87 0.82 -4.95 114.94 119.31 3hk9 s ASN 144 Ca -0.03 -1.06 -0.13 0.00 -1.57 0.00 0.00 52.86 50.07 3hk9 s ASN 144 Cb -0.20 -1.86 0.10 0.00 -0.02 0.00 0.00 41.25 39.27 3hk9 s ASN 144 CO -0.06 -0.30 0.38 -0.62 -2.57 0.00 0.00 177.10 173.94 3hk9 s ASP 145 N 1.41 5.95 0.15 -1.22 2.15 -1.26 -1.66 116.67 122.19 3hk9 s ASP 145 Ca -0.01 -1.60 0.14 0.00 0.43 0.00 0.00 52.55 51.51 3hk9 s ASP 145 Cb -0.19 -2.11 0.67 0.00 -0.30 0.00 0.00 42.92 40.99 3hk9 s ASP 145 CO 0.02 -0.68 1.43 -0.81 -0.17 0.00 0.00 175.17 174.96 3hk9 n PRO 146 N 5.09 0.08 0.04 4.34 -0.04 -1.26 -1.82 135.00 141.43 3hk9 n PRO 146 Ca -0.11 0.49 0.13 0.00 -0.04 0.00 0.00 63.50 63.96 3hk9 n PRO 146 Cb 0.42 -1.72 0.31 0.00 -0.04 0.00 0.00 33.50 32.47 3hk9 n PRO 146 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hk9 n PHE 147 N -1.88 0.35 -2.97 0.54 3.72 -1.26 -4.52 117.46 111.43 3hk9 n PHE 147 Ca 0.01 0.10 -0.41 0.00 -0.05 0.00 0.00 57.45 57.10 3hk9 n PHE 147 Cb 0.08 -0.55 -0.05 0.00 -0.94 0.00 0.00 39.48 38.02 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 -3.69 6.76 0.14 4.37 2.15 -0.76 -4.96 116.67 120.69 3hk9 s ASP 148 Ca 0.10 0.94 -0.28 0.00 0.43 0.00 0.00 52.55 53.74 3hk9 s ASP 148 Cb 0.15 -2.40 -0.03 0.00 -0.30 0.00 0.00 42.92 40.34 3hk9 s ASP 148 CO 0.66 -0.44 1.57 0.44 -0.17 0.00 0.00 175.17 177.24 3hk9 h ASP 149 N 7.68 -1.42 -0.27 -0.34 3.32 -1.87 0.40 116.42 123.92 3hk9 h ASP 149 Ca -0.26 0.20 0.06 0.00 0.02 0.00 0.00 57.03 57.06 3hk9 h ASP 149 Cb 1.11 0.60 -0.08 0.00 0.22 0.00 0.00 39.33 41.19 3hk9 h ASP 149 CO 0.83 -0.39 -0.33 0.78 -1.72 0.00 0.00 179.24 178.41 3hk9 h ASN 150 N -0.39 -1.05 -0.72 6.45 2.35 -1.95 -1.24 115.58 119.03 3hk9 h ASN 150 Ca 0.11 0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 3hk9 h ASN 150 Cb 0.60 0.47 -0.03 0.00 0.05 0.00 0.00 38.32 39.41 3hk9 h ASN 150 CO -0.51 -0.34 0.34 -0.33 -1.65 0.00 0.00 177.43 174.94 3hk9 h GLU 151 N -0.32 1.05 -0.38 0.81 5.08 -1.75 -3.06 114.58 115.99 3hk9 h GLU 151 Ca 0.13 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3hk9 h GLU 151 Cb 0.54 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3hk9 h GLU 151 CO -0.45 0.83 0.20 -0.09 -1.00 0.00 0.00 179.01 178.49 3hk9 h ARG 152 N 1.01 0.54 -1.00 2.33 2.43 -0.34 -2.70 114.38 116.65 3hk9 h ARG 152 Ca 0.25 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.41 3hk9 h ARG 152 Cb 0.13 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.51 3hk9 h ARG 152 CO -0.03 0.46 0.65 0.82 -1.51 0.00 0.00 179.97 180.36 3hk9 h ILE 153 N 0.48 1.11 -0.36 1.20 1.08 -1.18 -1.22 117.51 118.62 3hk9 h ILE 153 Ca 0.13 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 64.19 3hk9 h ILE 153 Cb 0.08 -0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 33.62 3hk9 h ILE 153 CO -0.02 0.22 0.21 0.28 -0.69 0.00 0.00 178.15 178.15 3hk9 h SER 154 N 1.19 0.44 0.36 1.72 0.02 -1.40 0.85 113.55 116.73 3hk9 h SER 154 Ca 0.43 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.25 3hk9 h SER 154 Cb 0.13 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3hk9 h SER 154 CO -0.16 0.37 -0.28 -0.50 -1.14 0.00 0.00 176.83 175.13 3hk9 h TRP 155 N 0.47 0.00 0.13 3.45 4.06 -1.13 -2.45 115.95 120.47 3hk9 h TRP 155 Ca 0.13 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.78 3hk9 h TRP 155 Cb 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.18 3hk9 h TRP 155 CO -0.03 0.28 -1.44 -0.07 -3.56 0.00 0.00 178.44 173.61 3hk9 h LEU 156 N 0.00 0.42 -2.68 -4.49 3.38 -0.62 -3.31 115.31 108.01 3hk9 h LEU 156 Ca -0.00 -0.53 -0.10 0.00 0.09 0.00 0.00 57.88 57.34 3hk9 h LEU 156 Cb 0.53 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3hk9 h LEU 156 CO 0.04 1.43 0.13 -0.62 0.09 0.00 0.00 178.44 179.51 3hk9 n GLU 157 N -3.49 1.24 0.00 1.13 1.02 0.29 -4.87 120.64 115.96 3hk9 n GLU 157 Ca -0.14 -0.53 0.00 0.00 -0.02 0.00 0.00 57.16 56.47 3hk9 n GLU 157 Cb 1.04 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 31.25 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 0.57 1.62 0.70 0.62 0.00 -1.21 -4.97 105.19 102.52 3hk9 n GLY 158 Ca 0.10 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.00 -3.92 1.61 4.76 -0.95 -4.94 118.16 114.72 3hk9 n LYS 159 Ca 0.00 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 3hk9 n LYS 159 Cb 0.00 -0.29 -0.15 0.00 -1.84 0.00 0.00 35.03 32.76 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 -0.02 0.11 0.57 1.97 -1.52 -1.26 -4.64 119.66 114.86 3hk9 s GLN 160 Ca 0.18 -0.01 -0.17 0.00 -1.95 0.00 0.00 55.36 53.41 3hk9 s GLN 160 Cb -0.25 -0.16 -0.05 0.00 -0.22 0.00 0.00 33.01 32.34 3hk9 s GLN 160 CO 0.11 -0.01 1.05 -1.25 -0.25 0.00 0.00 175.29 174.94 3hk9 s PRO 161 N 0.21 3.46 0.97 2.91 0.04 -1.26 -4.95 135.00 136.38 3hk9 s PRO 161 Ca -0.02 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 3hk9 s PRO 161 Cb -0.03 -2.05 0.17 0.00 0.04 0.00 0.00 34.50 32.63 3hk9 s PRO 161 CO -0.01 -0.70 1.10 0.16 0.04 0.00 0.00 177.00 177.60 3hk9 s ASP 162 N -2.65 2.86 0.55 6.66 1.47 -1.26 -4.86 116.67 119.44 3hk9 s ASP 162 Ca 0.64 1.16 0.23 0.00 1.18 0.00 0.00 52.55 55.76 3hk9 s ASP 162 Cb -0.16 -1.81 1.27 0.00 -0.34 0.00 0.00 42.92 41.88 3hk9 s ASP 162 CO 0.33 -2.98 1.68 0.77 0.68 0.00 0.00 175.17 175.65 3hk9 h SER 163 N -1.79 0.00 1.46 2.11 4.64 -2.01 -1.66 113.55 116.31 3hk9 h SER 163 Ca -0.53 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.70 3hk9 h SER 163 Cb 1.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 3hk9 h SER 163 CO 0.58 0.00 -0.56 0.03 -0.87 0.00 0.00 176.83 176.01 3hk9 h ARG 164 N 0.00 0.00 -5.79 4.77 3.08 -1.89 -3.46 114.38 111.09 3hk9 h ARG 164 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 3hk9 h ARG 164 Cb 0.67 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.60 3hk9 h ARG 164 CO 0.00 0.33 -0.57 -0.06 -1.07 0.00 0.00 179.97 178.61 3hk9 s PHE 165 N -3.04 3.32 0.09 3.04 0.08 -0.62 -0.86 117.98 119.99 3hk9 s PHE 165 Ca 0.03 0.30 0.08 0.00 0.12 0.00 0.00 56.93 57.47 3hk9 s PHE 165 Cb 0.07 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 3hk9 s PHE 165 CO 0.74 0.53 -0.22 -1.01 -0.10 0.00 0.00 175.22 175.16 3hk9 s HIS 166 N -0.81 1.90 0.24 0.36 3.76 0.13 -4.67 115.29 116.20 3hk9 s HIS 166 Ca 0.13 -0.40 -0.09 0.00 -0.15 0.00 0.00 55.06 54.55 3hk9 s HIS 166 Cb -0.12 -1.06 -0.07 0.00 1.11 0.00 0.00 32.58 32.44 3hk9 s HIS 166 CO 0.03 0.19 0.55 0.00 -0.85 0.00 0.00 174.74 174.66 3hk9 s ALA 167 N -1.04 3.58 -0.04 -1.40 0.00 -1.26 0.33 121.76 121.94 3hk9 s ALA 167 Ca 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 3hk9 s ALA 167 Cb -0.10 -2.40 0.03 0.00 0.00 0.00 0.00 23.12 20.65 3hk9 s ALA 167 CO 0.04 0.46 0.04 0.00 0.00 0.00 0.00 175.76 176.29 3hk9 s ALA 168 N -1.87 0.30 -0.67 0.00 0.00 -1.23 -1.09 121.76 117.20 3hk9 s ALA 168 Ca 0.47 0.15 -0.27 0.00 0.00 0.00 0.00 51.96 52.31 3hk9 s ALA 168 Cb -0.11 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.48 3hk9 s ALA 168 CO 0.23 -0.39 1.21 -1.17 0.00 0.00 0.00 175.76 175.64 3hk9 s LEU 169 N 1.87 3.41 -0.18 0.00 2.96 -0.83 -0.13 118.68 125.77 3hk9 s LEU 169 Ca 0.02 -0.30 -0.24 0.00 -0.22 0.00 0.00 54.13 53.39 3hk9 s LEU 169 Cb -0.12 -2.77 -0.02 0.00 0.50 0.00 0.00 46.19 43.78 3hk9 s LEU 169 CO -0.03 -1.65 0.77 -0.60 -1.32 0.00 0.00 176.35 173.51 3hk9 s ARG 170 N 5.24 4.26 -0.22 1.98 6.06 -0.67 -0.55 118.95 135.06 3hk9 s ARG 170 Ca 0.36 0.89 0.12 0.00 -2.50 0.00 0.00 55.73 54.60 3hk9 s ARG 170 Cb -0.09 -3.58 0.43 0.00 0.06 0.00 0.00 34.95 31.78 3hk9 s ARG 170 CO 0.18 -0.31 1.31 1.28 -2.50 0.00 0.00 175.30 175.26 3hk9 n LEU 171 N 5.21 3.22 -0.14 -0.88 4.77 0.55 -4.47 117.00 125.25 3hk9 n LEU 171 Ca 0.03 -3.62 -0.04 0.00 -0.03 0.00 0.00 56.01 52.35 3hk9 n LEU 171 Cb 0.49 -0.55 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3hk9 n LEU 171 CO 0.47 1.15 0.77 0.44 -1.33 0.00 0.00 177.39 178.89 3hk9 h ASP 172 N 0.89 -0.43 -0.70 -1.43 5.19 -1.93 -1.60 116.42 116.41 3hk9 h ASP 172 Ca 0.07 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 3hk9 h ASP 172 Cb 1.26 0.29 -0.03 0.00 0.18 0.00 0.00 39.33 41.02 3hk9 h ASP 172 CO 0.15 -0.15 0.41 -0.65 -3.12 0.00 0.00 179.24 175.87 3hk9 h PRO 173 N -0.00 0.97 -0.17 3.56 0.11 -1.95 0.22 132.00 134.73 3hk9 h PRO 173 Ca 0.22 -0.09 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 3hk9 h PRO 173 Cb 0.34 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 3hk9 h PRO 173 CO -0.47 0.69 -0.18 1.25 -0.21 0.00 0.00 178.00 179.08 3hk9 h LEU 174 N 0.98 0.46 0.09 2.35 5.85 -1.75 -0.60 115.31 122.68 3hk9 h LEU 174 Ca 0.25 -0.49 -0.28 0.00 0.84 0.00 0.00 57.88 58.21 3hk9 h LEU 174 Cb -0.01 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3hk9 h LEU 174 CO -0.04 0.85 -1.40 -0.07 -0.34 0.00 0.00 178.44 177.44 3hk9 h LEU 175 N 0.07 0.31 0.00 2.25 4.07 -1.23 -3.24 115.31 117.54 3hk9 h LEU 175 Ca 0.03 -0.39 0.00 0.00 0.08 0.00 0.00 57.88 57.59 3hk9 h LEU 175 Cb 0.72 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.37 3hk9 h LEU 175 CO 0.04 1.32 -1.81 0.59 -1.08 0.00 0.00 178.44 177.51 3hk9 n ASN 176 N -3.42 0.25 -2.08 -0.43 3.02 0.75 -3.77 115.26 109.58 3hk9 n ASN 176 Ca -0.12 -0.17 -0.03 0.00 -0.03 0.00 0.00 54.58 54.23 3hk9 n ASN 176 Cb 1.02 1.81 0.05 0.00 -0.61 0.00 0.00 39.78 42.06 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 -2.11 1.65 -0.25 3.52 1.02 -0.25 -4.94 120.64 119.27 3hk9 n GLU 177 Ca -0.03 -3.23 0.05 0.00 -0.02 0.00 0.00 57.16 53.93 3hk9 n GLU 177 Cb 0.52 -1.34 0.16 0.00 -0.02 0.00 0.00 31.44 30.77 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 1.93 0.01 -0.89 -0.32 3.20 -1.54 0.12 116.97 119.49 3hk9 h TYR 178 Ca -0.05 0.05 0.19 0.00 3.14 0.00 0.00 58.73 62.07 3hk9 h TYR 178 Cb 1.45 0.12 -0.11 0.00 1.54 0.00 0.00 36.73 39.73 3hk9 h TYR 178 CO 0.52 -0.22 0.43 0.93 -1.64 0.00 0.00 178.16 178.18 3hk9 h GLU 179 N 0.13 0.50 0.00 1.82 4.39 -1.90 0.60 114.58 120.11 3hk9 h GLU 179 Ca 0.41 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.96 3hk9 h GLU 179 Cb 0.73 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 3hk9 h GLU 179 CO -0.64 0.33 -1.14 1.96 -1.16 0.00 0.00 179.01 178.37 3hk9 h GLN 180 N 0.52 0.00 0.03 2.33 7.50 -1.58 -3.38 115.11 120.53 3hk9 h GLN 180 Ca 0.52 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 59.43 3hk9 h GLN 180 Cb 0.89 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.39 3hk9 h GLN 180 CO -0.45 0.27 -1.25 1.15 -1.50 0.00 0.00 178.83 177.05 3hk9 h THR 181 N 0.00 1.43 -0.03 -0.54 2.02 0.86 -3.32 112.91 113.33 3hk9 h THR 181 Ca -0.10 -3.15 0.01 0.00 0.77 0.00 0.00 66.41 63.94 3hk9 h THR 181 Cb 1.43 2.76 -0.00 0.00 -1.74 0.00 0.00 68.15 70.60 3hk9 h THR 181 CO 0.04 0.84 0.05 0.07 0.37 0.00 0.00 175.52 176.89 3hk9 h LYS 182 N 0.02 0.00 -0.14 6.66 2.10 -0.05 -0.01 116.57 125.14 3hk9 h LYS 182 Ca -0.11 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.40 3hk9 h LYS 182 Cb 1.88 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.20 3hk9 h LYS 182 CO 0.13 0.00 -0.49 0.45 -2.00 0.00 0.00 179.45 177.54 3hk9 h HIS 183 N 0.00 0.47 0.01 0.07 3.86 -1.79 -1.99 115.15 115.78 3hk9 h HIS 183 Ca 0.02 -0.15 -0.20 0.00 -1.16 0.00 0.00 60.37 58.88 3hk9 h HIS 183 Cb 0.11 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 3hk9 h HIS 183 CO 0.00 0.80 -0.90 0.00 0.86 0.00 0.00 177.93 178.69 3hk9 h ARG 184 N 0.30 0.14 -0.89 2.45 3.08 -1.21 -2.59 114.38 115.67 3hk9 h ARG 184 Ca 0.01 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 3hk9 h ARG 184 Cb 0.98 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 3hk9 h ARG 184 CO 0.08 0.94 0.47 1.25 -1.07 0.00 0.00 179.97 181.65 3hk9 h LEU 185 N 0.07 1.12 -0.71 3.04 5.85 -1.08 -1.79 115.31 121.81 3hk9 h LEU 185 Ca -0.04 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 3hk9 h LEU 185 Cb 1.54 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 3hk9 h LEU 185 CO 0.13 0.91 -0.00 0.03 -0.34 0.00 0.00 178.44 179.17 3hk9 h ARG 186 N 1.25 0.99 0.00 1.25 3.08 -1.20 0.16 114.38 119.90 3hk9 h ARG 186 Ca 0.31 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3hk9 h ARG 186 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3hk9 h ARG 186 CO -0.05 0.97 0.00 -0.44 -1.07 0.00 0.00 179.97 179.39 3hk9 h ASP 187 N 0.91 0.00 -0.61 7.04 3.45 -0.95 -1.98 116.42 124.28 3hk9 h ASP 187 Ca 0.16 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.62 3hk9 h ASP 187 Cb 0.53 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 3hk9 h ASP 187 CO 0.03 0.00 0.00 0.79 -1.57 0.00 0.00 179.24 178.49 3hk9 n TRP 188 N -2.68 1.03 -0.47 4.55 8.01 -0.63 -4.94 117.44 122.31 3hk9 n TRP 188 Ca -0.00 -0.55 0.00 0.00 -1.31 0.00 0.00 57.50 55.64 3hk9 n TRP 188 Cb 0.16 -0.09 0.00 0.00 -2.01 0.00 0.00 31.31 29.37 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 1.17 0.76 3.23 6.99 0.00 -0.74 -5.02 105.19 111.59 3hk9 n GLY 189 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.03 3.57 -1.21 1.61 2.02 0.45 -4.98 117.35 116.78 3hk9 s TYR 190 Ca 0.00 -2.20 -0.18 0.00 -0.37 0.00 0.00 57.07 54.32 3hk9 s TYR 190 Cb 0.00 -3.56 -0.02 0.00 -0.40 0.00 0.00 41.96 37.98 3hk9 s TYR 190 CO 0.00 -0.94 2.02 1.63 -1.57 0.00 0.00 175.55 176.69 3hk9 n LYS 191 N 3.99 2.42 -2.29 -0.62 4.01 -1.26 -2.82 118.16 121.59 3hk9 n LYS 191 Ca 0.07 -2.52 -0.35 0.00 -0.51 0.00 0.00 58.31 55.00 3hk9 n LYS 191 Cb 0.43 -3.28 -0.00 0.00 -0.51 0.00 0.00 35.03 31.66 3hk9 n LYS 191 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 3hk9 s VAL 192 N 4.76 3.32 0.42 -0.18 -7.23 -1.26 -4.71 120.40 115.52 3hk9 s VAL 192 Ca 0.54 0.80 -0.03 0.00 -1.81 0.00 0.00 61.98 61.48 3hk9 s VAL 192 Cb 0.10 -3.32 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 3hk9 s VAL 192 CO 0.02 -0.19 0.69 0.20 -0.31 0.00 0.00 175.10 175.51 3hk9 s ASN 193 N -1.88 6.28 0.25 4.85 0.01 -1.26 -4.95 114.94 118.24 3hk9 s ASN 193 Ca 0.71 0.73 -0.03 0.00 -0.71 0.00 0.00 52.86 53.57 3hk9 s ASN 193 Cb -0.22 -2.16 0.43 0.00 0.41 0.00 0.00 41.25 39.71 3hk9 s ASN 193 CO 0.26 -0.46 1.83 0.44 -1.51 0.00 0.00 177.10 177.67 3hk9 h ASP 194 N 0.47 0.79 -2.13 -1.22 3.32 -2.03 -3.42 116.42 112.20 3hk9 h ASP 194 Ca -0.48 0.04 -0.46 0.00 0.02 0.00 0.00 57.03 56.15 3hk9 h ASP 194 Cb 1.21 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 3hk9 h ASP 194 CO 0.62 0.45 -0.43 -1.83 -1.72 0.00 0.00 179.24 176.33 3hk9 s GLU 195 N -6.02 3.33 -0.76 3.56 -1.05 -1.26 -5.05 118.70 111.46 3hk9 s GLU 195 Ca -0.12 -0.84 -0.23 0.00 -0.15 0.00 0.00 54.97 53.63 3hk9 s GLU 195 Cb 0.20 -2.84 0.07 0.00 -0.44 0.00 0.00 34.13 31.12 3hk9 s GLU 195 CO 0.79 0.37 1.10 -0.46 0.95 0.00 0.00 175.26 178.01 3hk9 s TRP 196 N -2.03 2.66 0.00 4.83 -0.11 -1.26 -4.72 118.94 118.31 3hk9 s TRP 196 Ca 0.35 -0.63 0.00 0.00 1.22 0.00 0.00 56.10 57.05 3hk9 s TRP 196 Cb -0.09 -4.40 0.00 0.00 -1.50 0.00 0.00 33.47 27.49 3hk9 s TRP 196 CO 0.29 -1.73 0.00 0.27 -4.62 0.00 0.00 176.95 171.15 3hk9 n ASN 197 N 7.95 0.82 -0.29 5.86 0.23 -1.26 -5.00 115.26 123.57 3hk9 n ASN 197 Ca 0.06 -0.73 0.02 0.00 -0.53 0.00 0.00 54.58 53.40 3hk9 n ASN 197 Cb 0.47 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.33 3hk9 n ASN 197 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3hk9 h GLU 198 N 0.00 0.77 -0.57 -3.83 4.57 -1.99 -1.09 114.58 112.44 3hk9 h GLU 198 Ca 0.00 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 3hk9 h GLU 198 Cb 0.00 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.39 3hk9 h GLU 198 CO 0.00 0.51 0.27 0.78 -1.18 0.00 0.00 179.01 179.39 3hk9 h GLY 199 N 0.79 0.88 0.97 1.92 0.00 -1.95 -1.84 103.07 103.85 3hk9 h GLY 199 Ca 0.39 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 3hk9 h GLY 199 CO -0.24 0.42 0.07 1.76 0.00 0.00 0.00 176.54 178.56 3hk9 h SER 200 N 0.77 0.75 -0.73 0.19 0.02 -1.70 -2.11 113.55 110.74 3hk9 h SER 200 Ca 0.20 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3hk9 h SER 200 Cb 0.13 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 3hk9 h SER 200 CO -0.02 0.82 0.47 0.40 -1.14 0.00 0.00 176.83 177.35 3hk9 h ILE 201 N 0.65 1.13 -0.11 3.27 2.04 -1.02 -1.73 117.51 121.73 3hk9 h ILE 201 Ca 0.14 -0.32 -0.17 0.00 1.00 0.00 0.00 64.86 65.51 3hk9 h ILE 201 Cb 0.39 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3hk9 h ILE 201 CO 0.01 0.17 -0.65 1.56 0.00 0.00 0.00 178.15 179.24 3hk9 h GLN 202 N 0.93 0.43 -0.09 2.37 1.08 -1.19 -1.77 115.11 116.87 3hk9 h GLN 202 Ca 0.28 -0.31 -0.15 0.00 -1.45 0.00 0.00 58.65 57.02 3hk9 h GLN 202 Cb -0.02 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 3hk9 h GLN 202 CO -0.09 0.94 -0.59 0.93 -0.95 0.00 0.00 178.83 179.06 3hk9 h GLU 203 N 0.31 0.30 -0.18 1.46 4.39 -1.16 0.49 114.58 120.19 3hk9 h GLU 203 Ca -0.01 -0.20 -0.14 0.00 0.34 0.00 0.00 59.36 59.34 3hk9 h GLU 203 Cb 1.20 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3hk9 h GLU 203 CO 0.11 0.80 -0.43 0.28 -1.16 0.00 0.00 179.01 178.62 3hk9 h VAL 204 N 0.23 1.33 -0.16 3.13 2.07 -1.30 -1.67 116.25 119.88 3hk9 h VAL 204 Ca -0.00 -1.67 0.02 0.00 0.82 0.00 0.00 66.70 65.86 3hk9 h VAL 204 Cb 1.10 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 3hk9 h VAL 204 CO 0.10 0.52 0.04 0.11 0.02 0.00 0.00 177.57 178.35 3hk9 h LYS 205 N 0.29 0.11 -0.76 1.57 1.57 -1.21 -1.36 116.57 116.77 3hk9 h LYS 205 Ca -0.00 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 3hk9 h LYS 205 Cb 1.04 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.24 3hk9 h LYS 205 CO 0.09 0.07 0.35 -0.09 -0.57 0.00 0.00 179.45 179.31 3hk9 h ARG 206 N 0.11 0.53 -0.39 3.15 2.43 -0.84 0.18 114.38 119.55 3hk9 h ARG 206 Ca 0.07 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3hk9 h ARG 206 Cb 0.05 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3hk9 h ARG 206 CO -0.08 0.35 0.24 0.35 -1.51 0.00 0.00 179.97 179.31 3hk9 h PHE 207 N 0.55 0.45 -0.03 2.20 3.57 -0.53 0.20 116.94 123.33 3hk9 h PHE 207 Ca 0.40 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 3hk9 h PHE 207 Cb 0.53 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 3hk9 h PHE 207 CO -0.13 0.27 0.01 -0.07 -2.23 0.00 0.00 178.31 176.16 3hk9 h LEU 208 N 0.48 0.05 -1.20 0.59 3.38 -0.11 -2.41 115.31 116.10 3hk9 h LEU 208 Ca 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hk9 h LEU 208 Cb -0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3hk9 h LEU 208 CO -0.06 0.23 0.46 0.74 0.09 0.00 0.00 178.44 179.90 3hk9 h THR 209 N -0.13 1.21 -0.42 0.22 2.02 -0.50 0.96 112.91 116.26 3hk9 h THR 209 Ca 0.01 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 3hk9 h THR 209 Cb 0.20 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 3hk9 h THR 209 CO -0.00 0.21 0.14 0.44 0.37 0.00 0.00 175.52 176.68 3hk9 h ASP 210 N 1.03 0.61 0.64 4.18 3.32 -0.50 -2.10 116.42 123.60 3hk9 h ASP 210 Ca 0.27 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 3hk9 h ASP 210 Cb -0.06 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3hk9 h ASP 210 CO -0.05 0.64 -0.60 -0.50 -1.72 0.00 0.00 179.24 177.01 3hk9 h TRP 211 N 0.54 0.00 -0.62 4.55 4.06 -0.95 -2.24 115.95 121.29 3hk9 h TRP 211 Ca 0.14 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.99 3hk9 h TRP 211 Cb 0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 3hk9 h TRP 211 CO 0.01 0.60 0.02 0.82 -3.56 0.00 0.00 178.44 176.33 3hk9 h ILE 212 N 0.00 1.27 -0.01 1.49 2.04 -0.60 0.46 117.51 122.16 3hk9 h ILE 212 Ca -0.01 -1.13 -0.13 0.00 1.00 0.00 0.00 64.86 64.59 3hk9 h ILE 212 Cb 1.08 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3hk9 h ILE 212 CO 0.08 0.42 -0.61 -0.33 0.00 0.00 0.00 178.15 177.71 3hk9 h GLU 213 N 0.99 0.04 0.13 2.37 5.08 -1.26 0.37 114.58 122.30 3hk9 h GLU 213 Ca 0.18 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.26 3hk9 h GLU 213 Cb 0.54 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.82 3hk9 h GLU 213 CO 0.03 0.63 -1.09 -0.09 -1.00 0.00 0.00 179.01 177.49 3hk9 h ARG 214 N 0.03 0.50 0.00 2.33 2.43 -1.10 -3.37 114.38 115.21 3hk9 h ARG 214 Ca -0.01 -0.72 -0.25 0.00 -0.81 0.00 0.00 59.98 58.20 3hk9 h ARG 214 Cb 1.08 0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 30.83 3hk9 h ARG 214 CO 0.08 1.32 -1.83 -1.33 -1.51 0.00 0.00 179.97 176.70 3hk9 n MET 215 N -3.92 0.65 -3.68 0.20 2.81 0.13 -5.00 117.12 108.30 3hk9 n MET 215 Ca -0.14 0.14 -0.24 0.00 -1.81 0.00 0.00 57.70 55.66 3hk9 n MET 215 Cb 0.92 -1.70 0.03 0.00 -0.71 0.00 0.00 33.22 31.77 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 -2.84 -2.68 -4.76 7.83 2.03 0.13 -4.63 116.55 111.62 3hk9 n ASP 216 Ca -0.18 -0.88 -0.34 0.00 0.52 0.00 0.00 54.79 53.90 3hk9 n ASP 216 Cb 0.97 -3.87 0.04 0.00 -0.72 0.00 0.00 41.12 37.54 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 -5.89 2.86 0.30 -0.67 0.04 -1.26 -4.66 135.00 125.71 3hk9 s PRO 217 Ca 0.17 1.57 0.24 0.00 0.04 0.00 0.00 61.00 63.02 3hk9 s PRO 217 Cb -0.05 -1.94 0.46 0.00 0.04 0.00 0.00 34.50 33.00 3hk9 s PRO 217 CO 0.83 -1.24 1.56 -0.39 0.04 0.00 0.00 177.00 177.80 3hk9 h VAL 218 N 0.40 0.00 -2.03 -0.36 -1.51 -1.46 -3.48 116.25 107.81 3hk9 h VAL 218 Ca -0.48 -0.76 0.17 0.00 -1.23 0.00 0.00 66.70 64.40 3hk9 h VAL 218 Cb 1.27 1.65 -0.15 0.00 -2.13 0.00 0.00 31.29 31.93 3hk9 h VAL 218 CO 0.54 0.00 0.59 -0.72 -1.23 0.00 0.00 177.57 176.76 3hk9 s TYR 219 N -3.19 -0.24 -0.12 5.19 -0.85 -1.26 -4.21 117.35 112.67 3hk9 s TYR 219 Ca 0.07 0.10 -0.04 0.00 -0.52 0.00 0.00 57.07 56.68 3hk9 s TYR 219 Cb 0.09 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.94 3hk9 s TYR 219 CO 0.67 -0.49 0.04 -1.64 -1.52 0.00 0.00 175.55 172.62 3hk9 s MET 220 N -2.93 3.33 0.17 -3.49 -1.94 -0.65 -1.97 119.30 111.83 3hk9 s MET 220 Ca 0.08 -0.33 0.05 0.00 -1.71 0.00 0.00 55.69 53.77 3hk9 s MET 220 Cb -0.01 -2.98 -0.05 0.00 2.01 0.00 0.00 34.83 33.81 3hk9 s MET 220 CO -0.06 0.61 -0.09 0.00 -0.01 0.00 0.00 175.02 175.47 3hk9 s ALA 221 N -0.59 1.61 -0.18 3.03 0.00 0.29 0.20 121.76 126.12 3hk9 s ALA 221 Ca 0.11 -1.58 -0.28 0.00 0.00 0.00 0.00 51.96 50.21 3hk9 s ALA 221 Cb -0.12 0.12 0.08 0.00 0.00 0.00 0.00 23.12 23.21 3hk9 s ALA 221 CO 0.02 -0.11 0.78 0.54 0.00 0.00 0.00 175.76 177.00 3hk9 s VAL 222 N -3.30 0.00 -0.13 0.00 0.11 -0.60 -0.33 120.40 116.16 3hk9 s VAL 222 Ca 0.20 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.20 3hk9 s VAL 222 Cb 0.03 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 3hk9 s VAL 222 CO 0.03 0.00 0.04 -0.94 -3.33 0.00 0.00 175.10 170.90 3hk9 s SER 223 N -0.42 5.48 0.20 3.54 1.04 -1.26 -1.21 113.70 121.07 3hk9 s SER 223 Ca -0.04 0.14 0.11 0.00 0.48 0.00 0.00 55.95 56.65 3hk9 s SER 223 Cb -0.03 -1.75 -0.04 0.00 0.10 0.00 0.00 66.02 64.30 3hk9 s SER 223 CO 0.03 0.29 -0.24 -0.76 0.98 0.00 0.00 173.24 173.55 3hk9 s LEU 224 N -0.36 2.44 0.72 2.42 1.43 0.98 -4.91 118.68 121.40 3hk9 s LEU 224 Ca 0.08 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 3hk9 s LEU 224 Cb -0.12 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 44.96 3hk9 s LEU 224 CO 0.02 0.11 1.10 -2.16 0.23 0.00 0.00 176.35 175.66 3hk9 s PRO 225 N -2.73 2.72 0.54 1.29 0.04 -1.25 -0.12 135.00 135.49 3hk9 s PRO 225 Ca 0.21 0.45 0.23 0.00 0.04 0.00 0.00 61.00 61.93 3hk9 s PRO 225 Cb -0.08 -2.01 1.42 0.00 0.04 0.00 0.00 34.50 33.87 3hk9 s PRO 225 CO 0.10 -1.13 2.07 -1.35 0.04 0.00 0.00 177.00 176.73 3hk9 h PRO 226 N -0.72 0.00 0.00 0.56 0.11 -1.76 -1.05 132.00 129.14 3hk9 h PRO 226 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hk9 h PRO 226 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3hk9 h PRO 226 CO 0.64 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.68 3hk9 n THR 227 N -4.30 0.00 -1.62 -1.15 -2.24 -1.26 -4.01 114.28 99.71 3hk9 n THR 227 Ca 0.04 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.30 3hk9 n THR 227 Cb 0.38 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.10 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 -0.92 1.71 -4.12 4.78 7.35 -0.40 -4.98 117.46 120.88 3hk9 n PHE 228 Ca 0.19 0.55 -0.12 0.00 -0.76 0.00 0.00 57.45 57.31 3hk9 n PHE 228 Cb 0.09 -2.39 -0.11 0.00 0.35 0.00 0.00 39.48 37.42 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 0.90 1.06 -0.29 -2.13 0.01 -1.26 -4.69 113.70 107.31 3hk9 s SER 229 Ca 0.85 -0.77 -0.19 0.00 1.31 0.00 0.00 55.95 57.15 3hk9 s SER 229 Cb -0.91 0.06 0.13 0.00 0.21 0.00 0.00 66.02 65.50 3hk9 s SER 229 CO 0.47 -0.32 0.96 0.12 0.41 0.00 0.00 173.24 174.89 3hk9 s PHE 230 N -2.43 -0.59 0.96 2.43 2.19 -1.26 -4.48 117.98 114.80 3hk9 s PHE 230 Ca 0.01 1.26 -0.11 0.00 0.33 0.00 0.00 56.93 58.42 3hk9 s PHE 230 Cb -0.03 0.38 0.17 0.00 -1.31 0.00 0.00 43.02 42.23 3hk9 s PHE 230 CO -0.02 -0.29 1.10 -2.14 1.83 0.00 0.00 175.22 175.70 3hk9 s PRO 231 N 1.00 0.67 -0.27 10.12 0.02 -1.26 -3.99 135.00 141.29 3hk9 s PRO 231 Ca -0.05 1.22 -0.18 0.00 0.02 0.00 0.00 61.00 62.01 3hk9 s PRO 231 Cb -0.04 -1.71 0.07 0.00 0.02 0.00 0.00 34.50 32.84 3hk9 s PRO 231 CO -0.12 -2.76 0.68 -2.00 -0.33 0.00 0.00 177.00 172.46 3hk9 s GLU 232 N -4.67 0.73 -1.22 5.54 2.12 -1.26 -5.07 118.70 114.87 3hk9 s GLU 232 Ca 0.66 1.12 -0.15 0.00 0.36 0.00 0.00 54.97 56.95 3hk9 s GLU 232 Cb -0.22 0.22 0.14 0.00 0.26 0.00 0.00 34.13 34.53 3hk9 s GLU 232 CO 0.59 -0.13 1.50 -1.21 -0.54 0.00 0.00 175.26 175.47 3hk9 s GLU 233 N 1.19 4.03 0.26 4.30 0.41 -1.26 -3.85 118.70 123.78 3hk9 s GLU 233 Ca -0.07 -2.36 -0.09 0.00 -0.41 0.00 0.00 54.97 52.04 3hk9 s GLU 233 Cb -0.05 -5.19 -0.01 0.00 -1.78 0.00 0.00 34.13 27.10 3hk9 s GLU 233 CO -0.12 -1.91 0.41 -1.54 -0.49 0.00 0.00 175.26 171.61 3hk9 s SER 234 N 3.28 0.13 0.18 -0.19 1.04 -1.26 -5.00 113.70 111.88 3hk9 s SER 234 Ca 0.45 -1.12 -0.14 0.00 0.48 0.00 0.00 55.95 55.63 3hk9 s SER 234 Cb -0.01 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.74 3hk9 s SER 234 CO 0.02 -1.12 1.84 0.78 0.98 0.00 0.00 173.24 175.74 3hk9 h ASN 235 N 2.30 0.63 -0.17 7.02 2.35 -1.91 -0.31 115.58 125.49 3hk9 h ASN 235 Ca -0.28 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3hk9 h ASN 235 Cb 1.25 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 3hk9 h ASN 235 CO 0.39 0.46 0.10 -0.09 -1.65 0.00 0.00 177.43 176.65 3hk9 h ARG 236 N 0.74 0.23 -0.49 0.81 2.43 -1.90 0.61 114.38 116.80 3hk9 h ARG 236 Ca 0.20 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3hk9 h ARG 236 Cb -0.07 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 3hk9 h ARG 236 CO -0.04 0.18 0.30 0.78 -1.51 0.00 0.00 179.97 179.68 3hk9 h GLY 237 N 0.20 0.69 0.86 2.80 0.00 -1.61 -1.34 103.07 104.67 3hk9 h GLY 237 Ca 0.06 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 3hk9 h GLY 237 CO -0.01 0.20 -0.09 3.21 0.00 0.00 0.00 176.54 179.84 3hk9 h ARG 238 N 0.60 0.52 -0.18 4.80 3.08 -0.86 -1.86 114.38 120.48 3hk9 h ARG 238 Ca 0.19 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hk9 h ARG 238 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3hk9 h ARG 238 CO -0.08 0.76 0.11 0.82 -1.07 0.00 0.00 179.97 180.50 3hk9 h ILE 239 N 0.26 1.08 -0.15 2.04 2.04 -0.79 0.14 117.51 122.13 3hk9 h ILE 239 Ca 0.06 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3hk9 h ILE 239 Cb 0.58 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3hk9 h ILE 239 CO 0.03 0.08 0.08 0.40 0.00 0.00 0.00 178.15 178.74 3hk9 h ILE 240 N 0.21 1.01 0.12 -0.67 2.04 -1.26 0.29 117.51 119.25 3hk9 h ILE 240 Ca 0.06 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3hk9 h ILE 240 Cb 0.03 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3hk9 h ILE 240 CO -0.01 0.03 -0.06 -0.09 0.00 0.00 0.00 178.15 178.02 3hk9 h ARG 241 N 0.17 -0.16 0.00 2.37 2.43 -1.17 -1.56 114.38 116.45 3hk9 h ARG 241 Ca 0.06 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 3hk9 h ARG 241 Cb 0.00 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3hk9 h ARG 241 CO -0.03 0.12 -1.11 -0.44 -1.51 0.00 0.00 179.97 177.00 3hk9 h ASP 242 N -0.44 0.00 0.00 -3.80 3.32 -0.75 -3.41 116.42 111.34 3hk9 h ASP 242 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3hk9 h ASP 242 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3hk9 h ASP 242 CO 0.03 0.62 -0.25 0.00 -1.72 0.00 0.00 179.24 177.92 3hk9 h LEU 244 N -0.25 -1.48 -0.07 0.00 7.12 -1.23 -2.28 115.31 117.12 3hk9 h LEU 244 Ca 0.00 0.14 0.02 0.00 0.13 0.00 0.00 57.88 58.18 3hk9 h LEU 244 Cb 0.25 0.52 -0.03 0.00 -0.53 0.00 0.00 40.66 40.87 3hk9 h LEU 244 CO 0.00 -0.60 -0.08 -0.07 -0.13 0.00 0.00 178.44 177.55 3hk9 h LEU 245 N -0.86 -0.25 -0.85 2.25 3.38 -1.53 0.14 115.31 117.58 3hk9 h LEU 245 Ca -0.03 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3hk9 h LEU 245 Cb 0.81 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 3hk9 h LEU 245 CO -0.19 -0.12 0.54 -0.65 0.09 0.00 0.00 178.44 178.12 3hk9 h PRO 246 N -0.11 1.00 -0.36 1.13 0.11 -1.78 -0.31 132.00 131.67 3hk9 h PRO 246 Ca 0.06 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 3hk9 h PRO 246 Cb 0.19 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 3hk9 h PRO 246 CO -0.14 0.66 -0.21 0.28 -0.21 0.00 0.00 178.00 178.38 3hk9 h VAL 247 N 1.03 1.29 -0.89 3.15 2.07 -1.12 -1.99 116.25 119.78 3hk9 h VAL 247 Ca 0.35 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3hk9 h VAL 247 Cb 0.07 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3hk9 h VAL 247 CO -0.14 0.44 0.57 0.00 0.02 0.00 0.00 177.57 178.46 3hk9 h ALA 248 N 0.78 1.31 -0.17 1.67 0.00 -0.22 -2.02 119.26 120.62 3hk9 h ALA 248 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3hk9 h ALA 248 Cb 0.76 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hk9 h ALA 248 CO 0.06 0.61 -0.14 1.49 0.00 0.00 0.00 179.25 181.27 3hk9 h GLU 249 N 1.22 0.40 -0.99 0.00 4.81 -0.94 0.55 114.58 119.63 3hk9 h GLU 249 Ca 0.32 -0.20 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3hk9 h GLU 249 Cb -0.10 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.22 3hk9 h GLU 249 CO -0.07 0.75 0.64 -0.22 -0.73 0.00 0.00 179.01 179.38 3hk9 h LYS 250 N 0.06 1.17 -0.12 1.92 3.64 -1.14 -1.12 116.57 120.99 3hk9 h LYS 250 Ca 0.03 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3hk9 h LYS 250 Cb 0.66 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3hk9 h LYS 250 CO 0.04 0.78 0.00 0.72 -2.27 0.00 0.00 179.45 178.71 3hk9 n HIS 251 N -4.48 0.14 -3.94 1.91 8.25 -0.78 -4.95 115.22 111.37 3hk9 n HIS 251 Ca 0.14 -0.07 -0.29 0.00 -0.26 0.00 0.00 57.72 57.24 3hk9 n HIS 251 Cb 0.13 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.26 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 0.69 -3.41 -4.58 0.41 4.05 0.49 -4.96 115.26 107.95 3hk9 n ASN 252 Ca 0.17 -0.85 -0.34 0.00 0.45 0.00 0.00 54.58 54.00 3hk9 n ASN 252 Cb 0.44 -3.61 -0.11 0.00 1.23 0.00 0.00 39.78 37.73 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 -3.44 4.51 0.69 -1.44 1.01 0.16 -4.83 121.20 117.87 3hk9 s ILE 253 Ca 0.49 -0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.87 3hk9 s ILE 253 Cb -0.25 -3.03 0.02 0.00 0.01 0.00 0.00 42.46 39.21 3hk9 s ILE 253 CO 0.85 0.46 1.14 -2.84 0.00 0.00 0.00 174.94 174.54 3hk9 s PRO 254 N 0.49 2.55 -0.27 2.79 0.02 -1.26 -4.57 135.00 134.76 3hk9 s PRO 254 Ca 0.01 1.49 -0.06 0.00 0.02 0.00 0.00 61.00 62.46 3hk9 s PRO 254 Cb -0.13 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 3hk9 s PRO 254 CO 0.01 -1.46 0.05 0.12 -0.33 0.00 0.00 177.00 175.39 3hk9 s PHE 255 N -2.27 3.09 -0.27 6.54 5.36 0.95 -1.64 117.98 129.74 3hk9 s PHE 255 Ca 0.69 -0.81 -0.11 0.00 -0.96 0.00 0.00 56.93 55.74 3hk9 s PHE 255 Cb -0.23 -2.22 -0.05 0.00 -0.34 0.00 0.00 43.02 40.19 3hk9 s PHE 255 CO 0.43 -0.51 0.18 0.00 -1.46 0.00 0.00 175.22 173.86 3hk9 s ALA 256 N 1.53 3.53 -0.18 11.12 0.00 0.13 -0.63 121.76 137.27 3hk9 s ALA 256 Ca 0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 3hk9 s ALA 256 Cb -0.16 -2.42 -0.00 0.00 0.00 0.00 0.00 23.12 20.54 3hk9 s ALA 256 CO 0.02 -0.45 -0.12 -1.64 0.00 0.00 0.00 175.76 173.57 3hk9 s MET 257 N 1.56 3.24 -0.50 0.00 1.00 0.39 -1.55 119.30 123.44 3hk9 s MET 257 Ca 0.07 -0.72 -0.04 0.00 0.00 0.00 0.00 55.69 55.00 3hk9 s MET 257 Cb -0.15 -2.75 0.13 0.00 0.00 0.00 0.00 34.83 32.06 3hk9 s MET 257 CO 0.09 -0.08 0.32 -1.64 0.00 0.00 0.00 175.02 173.71 3hk9 s MET 258 N 1.09 2.32 -0.05 2.03 -1.94 -0.35 -2.62 119.30 119.78 3hk9 s MET 258 Ca 0.00 -2.06 -0.12 0.00 -1.71 0.00 0.00 55.69 51.80 3hk9 s MET 258 Cb -0.14 -3.72 -0.05 0.00 2.01 0.00 0.00 34.83 32.92 3hk9 s MET 258 CO -0.03 -1.14 0.32 0.42 -0.01 0.00 0.00 175.02 174.58 3hk9 s ILE 259 N 0.77 5.20 0.00 2.53 1.01 -0.80 -0.01 121.20 129.89 3hk9 s ILE 259 Ca 0.11 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.39 3hk9 s ILE 259 Cb -0.22 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3hk9 s ILE 259 CO -0.03 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.08 3hk9 n GLY 260 N 2.05 1.15 3.73 6.18 0.00 0.83 -0.53 105.19 118.60 3hk9 n GLY 260 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.71 4.66 -0.46 1.61 0.11 -0.90 -1.66 120.40 122.05 3hk9 s VAL 261 Ca 0.00 1.85 -0.09 0.00 -2.93 0.00 0.00 61.98 60.82 3hk9 s VAL 261 Cb 0.00 -4.22 0.12 0.00 -1.53 0.00 0.00 36.38 30.75 3hk9 s VAL 261 CO 0.00 0.32 0.33 -0.75 -3.33 0.00 0.00 175.10 171.67 3hk9 s LYS 262 N 0.10 2.43 0.32 1.54 2.20 0.12 -3.93 119.74 122.52 3hk9 s LYS 262 Ca 0.43 -1.77 -0.29 0.00 -0.36 0.00 0.00 55.97 53.98 3hk9 s LYS 262 Cb -0.22 -3.89 -0.11 0.00 -1.51 0.00 0.00 37.83 32.10 3hk9 s LYS 262 CO 0.26 -1.18 1.53 0.15 -0.36 0.00 0.00 175.35 175.75 3hk9 s LYS 263 N 1.34 4.14 -1.26 4.03 -0.14 -1.26 -0.24 119.74 126.35 3hk9 s LYS 263 Ca 0.06 2.53 -0.30 0.00 -1.36 0.00 0.00 55.97 56.89 3hk9 s LYS 263 Cb -0.26 -3.02 0.04 0.00 -1.68 0.00 0.00 37.83 32.92 3hk9 s LYS 263 CO -0.01 -0.55 0.60 0.54 -0.76 0.00 0.00 175.35 175.16 3hk9 n ARG 264 N 1.52 -0.36 0.13 1.68 1.74 -1.24 -4.85 116.66 115.28 3hk9 n ARG 264 Ca 0.05 0.08 0.13 0.00 -0.77 0.00 0.00 57.85 57.34 3hk9 n ARG 264 Cb 0.39 -2.69 0.41 0.00 -1.02 0.00 0.00 32.46 29.55 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 -2.53 0.00 -2.37 1.55 -1.51 -1.16 -3.33 116.25 106.90 3hk9 h VAL 265 Ca -0.71 -0.47 -0.59 0.00 -1.23 0.00 0.00 66.70 63.70 3hk9 h VAL 265 Cb 1.41 1.42 -0.38 0.00 -2.13 0.00 0.00 31.29 31.60 3hk9 h VAL 265 CO 0.54 0.00 -0.97 -2.28 -1.23 0.00 0.00 177.57 173.63 3hk9 s HIS 266 N -3.18 1.11 0.34 5.19 5.65 -0.94 -5.03 115.29 118.43 3hk9 s HIS 266 Ca 0.09 -2.33 0.12 0.00 0.25 0.00 0.00 55.06 53.18 3hk9 s HIS 266 Cb 0.11 -0.93 0.93 0.00 -1.18 0.00 0.00 32.58 31.50 3hk9 s HIS 266 CO 0.56 -0.83 1.75 -1.00 -0.65 0.00 0.00 174.74 174.57 3hk9 h PRO 267 N 5.64 0.54 0.00 2.88 0.13 -1.83 -2.08 132.00 137.29 3hk9 h PRO 267 Ca 0.27 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.36 3hk9 h PRO 267 Cb 0.91 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 3hk9 h PRO 267 CO 0.37 0.36 -0.01 0.00 -0.23 0.00 0.00 178.00 178.49 3hk9 h ALA 268 N 1.68 1.15 -0.00 -0.56 0.00 -1.95 -1.30 119.26 118.28 3hk9 h ALA 268 Ca 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3hk9 h ALA 268 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hk9 h ALA 268 CO -0.40 0.02 -0.05 1.28 0.00 0.00 0.00 179.25 180.09 3hk9 n LEU 269 N -3.32 0.24 0.00 0.00 4.77 -0.78 -4.95 117.00 112.95 3hk9 n LEU 269 Ca -0.03 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3hk9 n LEU 269 Cb 0.12 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3hk9 n LEU 269 CO 0.24 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3hk9 n GLY 270 N 1.25 3.07 0.25 -0.72 0.00 -0.49 -1.87 105.19 106.68 3hk9 n GLY 270 Ca 0.15 -0.25 0.16 0.00 0.00 0.00 0.00 46.02 46.09 3hk9 n GLY 270 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hk9 h ASP 271 N 3.03 0.00 -0.47 1.61 3.32 -1.94 0.34 116.42 122.31 3hk9 h ASP 271 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hk9 h ASP 271 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hk9 h ASP 271 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3hk9 n ALA 272 N -1.91 3.03 -0.52 3.45 0.00 -0.78 -4.26 120.51 119.53 3hk9 n ALA 272 Ca -0.02 -1.18 0.08 0.00 0.00 0.00 0.00 53.44 52.32 3hk9 n ALA 272 Cb 0.08 -1.03 0.25 0.00 0.00 0.00 0.00 19.45 18.75 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 0.84 3.03 3.84 0.00 0.00 0.11 -4.82 105.19 108.19 3hk9 n GLY 273 Ca 0.19 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.18 6.85 0.07 1.61 1.01 -1.26 -0.86 116.67 122.90 3hk9 s ASP 274 Ca 0.38 1.07 0.00 0.00 0.71 0.00 0.00 52.55 54.72 3hk9 s ASP 274 Cb 0.25 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.89 3hk9 s ASP 274 CO 0.18 0.17 0.04 0.33 0.21 0.00 0.00 175.17 176.10 3hk9 n PHE 275 N 1.11 -1.06 -4.09 4.23 7.35 0.66 -4.92 117.46 120.74 3hk9 n PHE 275 Ca -0.08 -0.30 -0.11 0.00 -0.76 0.00 0.00 57.45 56.20 3hk9 n PHE 275 Cb 0.52 -0.05 -0.11 0.00 0.35 0.00 0.00 39.48 40.19 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 -0.53 0.51 -0.06 -2.13 0.11 -1.26 -0.70 120.40 116.34 3hk9 s VAL 276 Ca 0.03 -1.41 -0.19 0.00 -2.93 0.00 0.00 61.98 57.48 3hk9 s VAL 276 Cb -0.00 -1.01 0.04 0.00 -1.53 0.00 0.00 36.38 33.87 3hk9 s VAL 276 CO 0.02 -0.62 0.42 -0.83 -3.33 0.00 0.00 175.10 170.76 3hk9 s GLY 277 N -2.18 -0.29 0.30 6.54 0.00 -0.66 -4.84 107.32 106.19 3hk9 s GLY 277 Ca -0.02 0.75 -0.29 0.00 0.00 0.00 0.00 44.72 45.16 3hk9 s GLY 277 CO -0.02 0.52 1.16 1.25 0.00 0.00 0.00 173.10 176.01 3hk9 s LYS 278 N -0.96 4.55 0.29 2.90 2.20 -1.26 -4.50 119.74 122.96 3hk9 s LYS 278 Ca -0.10 1.93 0.08 0.00 -0.36 0.00 0.00 55.97 57.52 3hk9 s LYS 278 Cb -0.04 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 3hk9 s LYS 278 CO 0.05 0.08 0.16 0.00 -0.36 0.00 0.00 175.35 175.28 3hk9 s ALA 279 N -1.16 3.52 0.36 3.13 0.00 -1.26 -4.75 121.76 121.59 3hk9 s ALA 279 Ca 0.46 -1.61 -0.19 0.00 0.00 0.00 0.00 51.96 50.62 3hk9 s ALA 279 Cb -0.34 -1.02 -0.10 0.00 0.00 0.00 0.00 23.12 21.66 3hk9 s ALA 279 CO 0.45 0.16 0.84 0.45 0.00 0.00 0.00 175.76 177.66 3hk9 s SER 280 N -3.83 6.92 0.00 0.00 0.15 -1.26 -4.95 113.70 110.73 3hk9 s SER 280 Ca 0.35 1.51 0.26 0.00 0.70 0.00 0.00 55.95 58.77 3hk9 s SER 280 Cb -0.06 -2.47 0.60 0.00 -1.71 0.00 0.00 66.02 62.38 3hk9 s SER 280 CO 0.24 -0.23 1.47 0.23 1.20 0.00 0.00 173.24 176.14 3hk9 n MET 281 N -0.29 0.93 -0.20 5.44 2.81 -1.26 -4.43 117.12 120.13 3hk9 n MET 281 Ca 0.04 -0.61 0.00 0.00 -1.81 0.00 0.00 57.70 55.33 3hk9 n MET 281 Cb 0.53 -1.49 0.10 0.00 -0.71 0.00 0.00 33.22 31.65 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 1.48 -0.22 -0.42 7.83 5.19 -1.93 0.37 116.42 128.71 3hk9 h ASP 282 Ca 0.00 0.14 -0.10 0.00 -0.62 0.00 0.00 57.03 56.45 3hk9 h ASP 282 Cb 0.56 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.29 3hk9 h ASP 282 CO 0.00 -0.09 -0.09 1.23 -3.12 0.00 0.00 179.24 177.17 3hk9 h GLY 283 N 0.14 0.95 1.48 2.75 0.00 -1.77 -1.50 103.07 105.11 3hk9 h GLY 283 Ca 0.31 -0.72 -0.16 0.00 0.00 0.00 0.00 47.33 46.76 3hk9 h GLY 283 CO -0.49 0.66 -0.57 -2.08 0.00 0.00 0.00 176.54 174.06 3hk9 h VAL 284 N 0.79 1.33 -0.24 4.60 2.07 -1.70 -2.08 116.25 121.02 3hk9 h VAL 284 Ca 0.13 -1.83 -0.03 0.00 0.82 0.00 0.00 66.70 65.80 3hk9 h VAL 284 Cb 0.60 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 3hk9 h VAL 284 CO 0.04 0.57 0.04 -0.08 0.02 0.00 0.00 177.57 178.15 3hk9 h GLU 285 N 0.41 0.39 -0.36 1.57 4.81 -0.78 -2.15 114.58 118.47 3hk9 h GLU 285 Ca 0.00 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3hk9 h GLU 285 Cb 1.11 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 3hk9 h GLU 285 CO 0.11 0.53 0.22 1.25 -0.73 0.00 0.00 179.01 180.38 3hk9 h HIS 286 N 0.19 0.47 -0.42 0.92 2.76 -1.24 -1.40 115.15 116.43 3hk9 h HIS 286 Ca 0.07 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 3hk9 h HIS 286 Cb 0.33 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.10 3hk9 h HIS 286 CO 0.02 0.34 0.20 -0.07 -1.30 0.00 0.00 177.93 177.12 3hk9 h LEU 287 N 0.47 0.27 -0.35 0.26 3.38 -1.28 0.14 115.31 118.20 3hk9 h LEU 287 Ca 0.13 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3hk9 h LEU 287 Cb 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hk9 h LEU 287 CO -0.02 0.20 0.06 -0.07 0.09 0.00 0.00 178.44 178.69 3hk9 h LEU 288 N 0.40 0.56 -0.11 1.67 3.38 -1.25 -1.92 115.31 118.04 3hk9 h LEU 288 Ca 0.18 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3hk9 h LEU 288 Cb 0.11 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3hk9 h LEU 288 CO -0.14 0.68 -0.11 -0.09 0.09 0.00 0.00 178.44 178.87 3hk9 h ARG 289 N 0.42 0.26 0.00 1.13 2.43 -1.05 -3.32 114.38 114.26 3hk9 h ARG 289 Ca 0.11 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hk9 h ARG 289 Cb 0.36 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3hk9 h ARG 289 CO 0.01 0.68 0.00 0.93 -1.51 0.00 0.00 179.97 180.08 3hk9 h GLU 290 N -0.15 0.00 -2.12 0.20 4.39 -0.77 -3.36 114.58 112.77 3hk9 h GLU 290 Ca 0.02 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.15 3hk9 h GLU 290 Cb 0.63 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.88 3hk9 h GLU 290 CO 0.03 0.00 -0.85 0.66 -1.16 0.00 0.00 179.01 177.68 3hk9 n TYR 291 N -2.36 1.94 0.22 4.33 4.01 -0.72 -4.93 117.16 119.65 3hk9 n TYR 291 Ca 0.05 -3.89 0.09 0.00 -0.16 0.00 0.00 57.90 53.99 3hk9 n TYR 291 Cb 0.41 -0.46 0.45 0.00 -0.31 0.00 0.00 39.34 39.43 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 0.75 0.12 -0.10 -0.72 -0.04 -1.25 -1.73 135.00 132.03 3hk9 n PRO 292 Ca 0.27 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.38 3hk9 n PRO 292 Cb 0.48 -1.83 0.23 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.07 2.89 -4.74 3.54 5.03 -1.26 -4.90 115.26 113.75 3hk9 n ASN 293 Ca 0.00 -1.91 -0.29 0.00 0.87 0.00 0.00 54.58 53.24 3hk9 n ASN 293 Cb 0.09 -0.14 -0.07 0.00 -1.02 0.00 0.00 39.78 38.64 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 -1.69 5.29 -0.12 6.41 -0.87 -0.71 -4.80 114.94 118.46 3hk9 s ASN 294 Ca 0.35 -0.12 -0.02 0.00 -1.57 0.00 0.00 52.86 51.50 3hk9 s ASN 294 Cb 0.21 -1.34 -0.03 0.00 -0.02 0.00 0.00 41.25 40.07 3hk9 s ASN 294 CO 0.31 0.15 -0.03 -0.54 -2.57 0.00 0.00 177.10 174.41 3hk9 s LYS 295 N -2.52 3.28 -0.07 -0.60 1.02 -1.26 -4.84 119.74 114.75 3hk9 s LYS 295 Ca 0.28 -0.50 0.04 0.00 0.02 0.00 0.00 55.97 55.82 3hk9 s LYS 295 Cb -0.11 -2.81 -0.00 0.00 -0.52 0.00 0.00 37.83 34.39 3hk9 s LYS 295 CO 0.21 0.46 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.83 3hk9 s PHE 296 N -0.23 2.15 -0.21 3.18 0.08 -0.53 -0.03 117.98 122.38 3hk9 s PHE 296 Ca 0.04 -0.77 -0.05 0.00 0.12 0.00 0.00 56.93 56.27 3hk9 s PHE 296 Cb -0.13 -1.45 -0.02 0.00 -0.57 0.00 0.00 43.02 40.85 3hk9 s PHE 296 CO 0.02 -0.30 0.00 -0.51 -0.10 0.00 0.00 175.22 174.34 3hk9 s LEU 297 N 0.23 3.19 0.01 -0.37 1.43 0.20 -1.34 118.68 122.03 3hk9 s LEU 297 Ca -0.12 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3hk9 s LEU 297 Cb -0.15 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 3hk9 s LEU 297 CO 0.05 0.03 -0.14 -0.69 0.23 0.00 0.00 176.35 175.83 3hk9 s VAL 298 N 1.23 1.09 -0.04 -1.59 1.01 -0.56 -0.46 120.40 121.08 3hk9 s VAL 298 Ca 0.03 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 3hk9 s VAL 298 Cb -0.15 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.31 3hk9 s VAL 298 CO 0.01 0.19 0.13 0.28 0.00 0.00 0.00 175.10 175.72 3hk9 s THR 299 N -0.51 0.02 0.18 3.92 -1.32 -1.08 -1.16 115.64 115.70 3hk9 s THR 299 Ca 0.04 -0.20 0.10 0.00 -1.21 0.00 0.00 61.69 60.41 3hk9 s THR 299 Cb -0.06 -0.26 -0.04 0.00 -1.51 0.00 0.00 72.50 70.62 3hk9 s THR 299 CO 0.00 -0.11 -0.20 -0.04 -2.21 0.00 0.00 174.62 172.05 3hk9 s MET 300 N -0.34 1.37 0.08 7.08 -1.94 -1.26 -1.90 119.30 122.39 3hk9 s MET 300 Ca -0.04 -1.46 0.19 0.00 -1.71 0.00 0.00 55.69 52.67 3hk9 s MET 300 Cb -0.03 -1.53 -0.13 0.00 2.01 0.00 0.00 34.83 35.15 3hk9 s MET 300 CO 0.00 0.32 0.80 -0.11 -0.01 0.00 0.00 175.02 176.03 3hk9 n LEU 301 N 0.27 0.72 -4.74 -0.03 7.94 0.31 -4.59 117.00 116.88 3hk9 n LEU 301 Ca -0.13 0.30 -0.40 0.00 -1.11 0.00 0.00 56.01 54.68 3hk9 n LEU 301 Cb 0.57 0.05 -0.05 0.00 0.53 0.00 0.00 43.42 44.52 3hk9 n LEU 301 CO 0.29 0.06 0.40 -0.55 -1.11 0.00 0.00 177.39 176.48 3hk9 s SER 302 N -5.51 7.07 0.28 1.96 0.15 -1.26 -4.61 113.70 111.78 3hk9 s SER 302 Ca -0.03 1.28 0.00 0.00 0.70 0.00 0.00 55.95 57.90 3hk9 s SER 302 Cb 0.09 -2.42 0.52 0.00 -1.71 0.00 0.00 66.02 62.50 3hk9 s SER 302 CO 0.82 -0.02 1.86 -0.09 1.20 0.00 0.00 173.24 177.01 3hk9 h ARG 303 N 6.10 1.02 0.00 5.44 2.43 -1.94 -1.82 114.38 125.60 3hk9 h ARG 303 Ca -0.43 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3hk9 h ARG 303 Cb 1.20 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3hk9 h ARG 303 CO 0.72 0.67 0.00 0.39 -1.51 0.00 0.00 179.97 180.25 3hk9 n GLU 304 N -4.57 0.21 -0.01 0.20 4.71 -1.26 -2.75 120.64 117.17 3hk9 n GLU 304 Ca 0.17 0.15 0.10 0.00 -0.01 0.00 0.00 57.16 57.57 3hk9 n GLU 304 Cb 0.29 -1.50 -0.15 0.00 -1.01 0.00 0.00 31.44 29.07 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 -1.28 0.08 -0.14 1.62 5.03 -0.69 -4.65 115.26 115.24 3hk9 n ASN 305 Ca 0.07 0.03 -0.03 0.00 0.87 0.00 0.00 54.58 55.52 3hk9 n ASN 305 Cb 0.11 1.78 0.04 0.00 -1.02 0.00 0.00 39.78 40.70 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 0.11 0.16 3.52 1.08 -1.55 -1.26 115.11 117.17 3hk9 h GLN 306 Ca -0.04 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3hk9 h GLN 306 Cb 1.09 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 3hk9 h GLN 306 CO 0.00 0.07 -0.08 1.25 -0.95 0.00 0.00 178.83 179.13 3hk9 h HIS 307 N 0.11 -0.20 0.00 2.96 2.76 -1.83 -2.43 115.15 116.53 3hk9 h HIS 307 Ca 0.22 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.36 3hk9 h HIS 307 Cb 0.32 0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.34 3hk9 h HIS 307 CO -0.29 0.00 -0.14 1.05 -1.30 0.00 0.00 177.93 177.25 3hk9 h GLU 308 N -0.37 0.00 -0.46 5.26 4.11 -1.83 -1.26 114.58 120.04 3hk9 h GLU 308 Ca -0.02 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.31 3hk9 h GLU 308 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3hk9 h GLU 308 CO 0.04 0.14 -0.13 1.25 0.07 0.00 0.00 179.01 180.38 3hk9 h LEU 309 N 0.00 0.84 -0.43 3.06 5.85 -1.08 -0.42 115.31 123.13 3hk9 h LEU 309 Ca -0.00 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3hk9 h LEU 309 Cb 0.27 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3hk9 h LEU 309 CO 0.02 0.98 0.11 0.58 -0.34 0.00 0.00 178.44 179.78 3hk9 h VAL 310 N 0.76 1.23 -0.44 1.05 2.07 -0.76 -2.18 116.25 117.98 3hk9 h VAL 310 Ca 0.12 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3hk9 h VAL 310 Cb 0.63 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3hk9 h VAL 310 CO 0.04 0.28 0.14 0.58 0.02 0.00 0.00 177.57 178.64 3hk9 h VAL 311 N 0.57 1.18 -0.33 2.57 2.07 -0.89 -1.91 116.25 119.50 3hk9 h VAL 311 Ca 0.14 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 3hk9 h VAL 311 Cb 0.32 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3hk9 h VAL 311 CO 0.00 0.23 -0.12 0.25 0.02 0.00 0.00 177.57 177.95 3hk9 h LEU 312 N 0.63 0.55 -1.39 2.57 5.85 -0.75 -1.82 115.31 120.95 3hk9 h LEU 312 Ca 0.15 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3hk9 h LEU 312 Cb 0.18 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3hk9 h LEU 312 CO -0.01 0.70 -0.01 0.00 -0.34 0.00 0.00 178.44 178.79 3hk9 h ALA 313 N 1.36 1.51 0.00 1.25 0.00 -0.73 -0.84 119.26 121.80 3hk9 h ALA 313 Ca 0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3hk9 h ALA 313 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hk9 h ALA 313 CO 0.03 0.36 -0.25 0.00 0.00 0.00 0.00 179.25 179.39 3hk9 h ARG 314 N 0.38 0.00 0.16 0.00 3.08 -1.00 -3.16 114.38 113.85 3hk9 h ARG 314 Ca 0.09 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.83 3hk9 h ARG 314 Cb 0.27 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.33 3hk9 h ARG 314 CO 0.01 0.25 -1.46 0.87 -1.07 0.00 0.00 179.97 178.57 3hk9 h LYS 315 N 0.00 0.35 -4.39 0.04 1.79 -1.01 -3.46 116.57 109.88 3hk9 h LYS 315 Ca -0.00 -0.59 -0.56 0.00 -2.18 0.00 0.00 60.65 57.31 3hk9 h LYS 315 Cb 0.48 0.22 -0.37 0.00 -1.58 0.00 0.00 32.23 30.98 3hk9 h LYS 315 CO 0.03 1.25 -0.81 -0.06 -1.08 0.00 0.00 179.45 178.78 3hk9 s PHE 316 N -2.62 1.80 -0.50 -1.35 0.08 -0.81 -4.99 117.98 109.59 3hk9 s PHE 316 Ca -0.08 -0.99 0.24 0.00 0.12 0.00 0.00 56.93 56.22 3hk9 s PHE 316 Cb 0.06 -1.39 0.97 0.00 -0.57 0.00 0.00 43.02 42.08 3hk9 s PHE 316 CO 0.89 -0.59 1.73 -1.13 -0.10 0.00 0.00 175.22 176.01 3hk9 n SER 317 N 4.86 0.70 -0.31 1.36 3.41 -1.26 -1.89 113.62 120.49 3hk9 n SER 317 Ca -0.14 0.66 0.03 0.00 -0.26 0.00 0.00 58.87 59.16 3hk9 n SER 317 Cb 0.50 -0.81 0.11 0.00 -0.26 0.00 0.00 64.21 63.74 3hk9 n SER 317 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hk9 n ASN 318 N -2.26 0.91 -4.38 4.04 6.94 -1.26 -4.71 115.26 114.53 3hk9 n ASN 318 Ca 0.03 -1.96 -0.33 0.00 -0.02 0.00 0.00 54.58 52.29 3hk9 n ASN 318 Cb 0.26 -0.11 -0.14 0.00 -2.36 0.00 0.00 39.78 37.43 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 -1.05 2.84 -0.19 -4.53 2.96 -0.79 -1.45 118.68 116.47 3hk9 s LEU 319 Ca 0.13 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3hk9 s LEU 319 Cb 0.07 -1.67 0.04 0.00 0.50 0.00 0.00 46.19 45.13 3hk9 s LEU 319 CO 0.09 0.13 -0.12 -0.32 -1.32 0.00 0.00 176.35 174.82 3hk9 s MET 320 N 0.56 2.16 0.15 1.98 -2.45 -0.45 -4.93 119.30 116.32 3hk9 s MET 320 Ca -0.06 -0.80 -0.13 0.00 -1.25 0.00 0.00 55.69 53.45 3hk9 s MET 320 Cb -0.15 -2.38 -0.07 0.00 1.25 0.00 0.00 34.83 33.48 3hk9 s MET 320 CO 0.03 -0.38 0.52 0.96 1.05 0.00 0.00 175.02 177.21 3hk9 s ILE 321 N 1.40 4.91 0.02 10.11 -4.36 -1.26 -1.50 121.20 130.52 3hk9 s ILE 321 Ca 0.00 0.70 -0.05 0.00 -0.26 0.00 0.00 60.65 61.04 3hk9 s ILE 321 Cb -0.15 -3.70 -0.01 0.00 1.25 0.00 0.00 42.46 39.85 3hk9 s ILE 321 CO -0.09 0.20 0.07 0.72 0.24 0.00 0.00 174.94 176.09 3hk9 s PHE 322 N -1.51 0.16 0.22 1.37 -0.12 -0.31 -2.18 117.98 115.61 3hk9 s PHE 322 Ca 0.38 -0.37 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 3hk9 s PHE 322 Cb -0.14 -0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.13 3hk9 s PHE 322 CO 0.19 -0.28 0.00 0.41 -0.05 0.00 0.00 175.22 175.49 3hk9 n GLY 323 N 1.30 -1.21 2.91 1.99 0.00 -0.07 -4.41 105.19 105.69 3hk9 n GLY 323 Ca -0.22 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.51 3.34 0.00 0.00 -0.00 -1.26 -3.00 118.94 117.51 3hk9 s TRP 325 Ca 0.19 1.13 0.00 0.00 -0.00 0.00 0.00 56.10 57.42 3hk9 s TRP 325 Cb -0.20 -3.55 0.00 0.00 -0.00 0.00 0.00 33.47 29.72 3hk9 s TRP 325 CO -0.04 -1.82 0.00 1.87 -0.00 0.00 0.00 176.95 176.96 3hk9 n TRP 326 N 3.90 0.00 0.78 5.86 -0.00 -1.26 0.14 117.44 126.86 3hk9 n TRP 326 Ca 0.10 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.68 3hk9 n TRP 326 Cb 0.44 0.00 0.41 0.00 -0.00 0.00 0.00 31.31 32.16 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 0.66 5.87 3.72 -1.26 -1.30 117.46 125.15 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 -0.26 -0.03 0.00 -0.94 0.00 0.00 39.48 38.24 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 -1.26 0.23 -1.28 -1.08 2.81 0.12 -4.60 117.12 112.06 3hk9 n MET 328 Ca 0.08 -0.03 -0.25 0.00 -1.81 0.00 0.00 57.70 55.69 3hk9 n MET 328 Cb 0.12 -1.55 -0.09 0.00 -0.71 0.00 0.00 33.22 30.99 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 -1.82 6.74 -4.07 7.83 5.15 -0.42 -3.56 115.26 125.11 3hk9 n ASN 329 Ca 0.02 -2.70 -0.23 0.00 -0.60 0.00 0.00 54.58 51.07 3hk9 n ASN 329 Cb 0.41 -1.42 -0.16 0.00 -0.53 0.00 0.00 39.78 38.09 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 1.59 1.70 0.22 1.20 0.01 -1.26 -4.99 114.94 113.41 3hk9 s ASN 330 Ca 0.65 -0.27 -0.07 0.00 -0.71 0.00 0.00 52.86 52.46 3hk9 s ASN 330 Cb 0.28 -0.43 0.36 0.00 0.41 0.00 0.00 41.25 41.87 3hk9 s ASN 330 CO -0.07 0.12 1.25 -2.65 -1.51 0.00 0.00 177.10 174.24 3hk9 n PRO 331 N 3.16 -0.07 -0.34 -0.60 -0.02 -1.26 -0.35 135.00 135.51 3hk9 n PRO 331 Ca -0.18 1.25 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 3hk9 n PRO 331 Cb 0.54 -1.86 0.14 0.00 -0.02 0.00 0.00 33.50 32.30 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 1.10 0.08 -0.52 4.57 -1.97 -1.12 114.58 116.72 3hk9 h GLU 332 Ca 0.38 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.38 3hk9 h GLU 332 Cb 0.58 -0.25 0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3hk9 h GLU 332 CO -0.82 0.73 -0.51 0.82 -1.18 0.00 0.00 179.01 178.05 3hk9 h ILE 333 N 1.14 1.61 -0.93 2.32 1.08 -0.95 -3.02 117.51 118.75 3hk9 h ILE 333 Ca 0.39 -2.43 0.16 0.00 -0.39 0.00 0.00 64.86 62.59 3hk9 h ILE 333 Cb 0.08 3.23 -0.10 0.00 -3.07 0.00 0.00 36.82 36.96 3hk9 h ILE 333 CO -0.15 0.67 0.53 0.40 -0.69 0.00 0.00 178.15 178.91 3hk9 h ILE 334 N -0.58 0.74 0.19 -0.67 2.04 -0.72 0.66 117.51 119.17 3hk9 h ILE 334 Ca -0.09 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 3hk9 h ILE 334 Cb 1.38 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3hk9 h ILE 334 CO 0.10 0.13 -0.09 -1.13 0.00 0.00 0.00 178.15 177.16 3hk9 h ASN 335 N 0.73 -0.22 -0.28 1.72 -1.24 -1.28 -0.75 115.58 114.26 3hk9 h ASN 335 Ca 0.51 -0.16 -0.08 0.00 0.71 0.00 0.00 56.30 57.28 3hk9 h ASN 335 Cb 0.73 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.82 3hk9 h ASN 335 CO -0.36 0.04 -0.10 1.05 -1.29 0.00 0.00 177.43 176.77 3hk9 h GLU 336 N -0.48 0.68 -0.00 6.67 4.11 -1.32 -1.97 114.58 122.27 3hk9 h GLU 336 Ca -0.03 -0.21 -0.00 0.00 0.07 0.00 0.00 59.36 59.19 3hk9 h GLU 336 Cb 0.36 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3hk9 h GLU 336 CO 0.04 0.77 -0.00 0.52 0.07 0.00 0.00 179.01 180.41 3hk9 h MET 337 N 0.63 0.01 -0.66 1.06 2.86 -0.85 -1.48 114.93 116.50 3hk9 h MET 337 Ca 0.11 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3hk9 h MET 337 Cb 0.54 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 3hk9 h MET 337 CO 0.03 0.32 0.30 1.15 1.06 0.00 0.00 176.91 179.78 3hk9 h THR 338 N -0.30 1.22 -0.13 2.22 2.02 -1.07 -0.64 112.91 116.23 3hk9 h THR 338 Ca 0.00 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 3hk9 h THR 338 Cb 0.32 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3hk9 h THR 338 CO 0.00 0.26 -0.14 0.03 0.37 0.00 0.00 175.52 176.05 3hk9 h ARG 339 N 0.94 0.32 -0.87 6.66 3.08 -1.33 -0.71 114.38 122.47 3hk9 h ARG 339 Ca 0.23 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.13 3hk9 h ARG 339 Cb 0.12 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 3hk9 h ARG 339 CO -0.03 0.72 0.57 0.52 -1.07 0.00 0.00 179.97 180.69 3hk9 h MET 340 N -0.07 1.11 0.27 0.04 2.86 -1.08 -0.13 114.93 117.93 3hk9 h MET 340 Ca 0.02 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3hk9 h MET 340 Cb 0.67 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3hk9 h MET 340 CO 0.03 0.73 -0.13 0.00 1.06 0.00 0.00 176.91 178.61 3hk9 h ARG 341 N 1.14 -0.34 -0.30 1.72 3.08 -1.05 -2.40 114.38 116.22 3hk9 h ARG 341 Ca 0.33 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.37 3hk9 h ARG 341 Cb -0.07 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3hk9 h ARG 341 CO -0.09 -0.08 0.04 1.98 -1.07 0.00 0.00 179.97 180.76 3hk9 h MET 342 N -0.59 0.43 -0.31 0.04 4.05 -0.95 0.66 114.93 118.26 3hk9 h MET 342 Ca -0.04 -0.07 -0.10 0.00 -0.28 0.00 0.00 59.70 59.22 3hk9 h MET 342 Cb 0.43 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 3hk9 h MET 342 CO 0.06 0.43 -0.22 0.93 0.23 0.00 0.00 176.91 178.34 3hk9 h GLU 343 N 0.42 0.59 0.00 0.39 5.08 -0.96 -0.18 114.58 119.92 3hk9 h GLU 343 Ca 0.10 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3hk9 h GLU 343 Cb 0.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3hk9 h GLU 343 CO 0.00 0.77 -1.32 -1.33 -1.00 0.00 0.00 179.01 176.13 3hk9 n MET 344 N -4.13 0.82 0.00 2.33 2.81 -0.91 -4.63 117.12 113.41 3hk9 n MET 344 Ca 0.00 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 3hk9 n MET 344 Cb 0.40 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 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 -1.76 0.96 0.00 4.03 4.77 0.22 -4.90 117.00 120.32 3hk9 n LEU 345 Ca 0.00 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 3hk9 n LEU 345 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3hk9 n LEU 345 CO 0.38 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3hk9 n GLY 346 N -0.09 4.09 0.65 -0.72 0.00 -0.08 -1.28 105.19 107.76 3hk9 n GLY 346 Ca 0.00 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.23 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 1.63 -1.35 2.61 -2.24 -1.26 -4.33 114.28 109.34 3hk9 n THR 347 Ca 0.00 -1.48 -0.24 0.00 -2.27 0.00 0.00 64.05 60.06 3hk9 n THR 347 Cb 0.00 0.11 -0.09 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.18 6.41 -3.56 3.42 3.41 -0.40 -4.70 113.62 118.02 3hk9 n SER 348 Ca 0.15 -2.87 -0.09 0.00 -0.26 0.00 0.00 58.87 55.80 3hk9 n SER 348 Cb 0.63 -1.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.21 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 -0.30 0.20 -0.37 7.33 -0.12 -1.26 -4.80 117.98 118.66 3hk9 s PHE 349 Ca 0.62 -0.67 -0.01 0.00 -0.05 0.00 0.00 56.93 56.83 3hk9 s PHE 349 Cb 0.32 0.51 0.09 0.00 -0.63 0.00 0.00 43.02 43.31 3hk9 s PHE 349 CO -0.11 -1.26 0.12 0.42 -0.05 0.00 0.00 175.22 174.34 3hk9 s ILE 350 N -3.38 2.96 0.36 -4.49 1.01 -0.93 -4.64 121.20 112.09 3hk9 s ILE 350 Ca 0.18 -1.97 0.08 0.00 0.00 0.00 0.00 60.65 58.93 3hk9 s ILE 350 Cb -0.04 -2.98 0.31 0.00 0.01 0.00 0.00 42.46 39.76 3hk9 s ILE 350 CO 0.10 -0.53 1.92 1.55 0.00 0.00 0.00 174.94 177.98 3hk9 h PRO 351 N 7.93 0.70 -3.27 2.79 0.13 -1.85 -0.15 132.00 138.27 3hk9 h PRO 351 Ca -0.13 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.94 3hk9 h PRO 351 Cb 1.04 -0.16 -0.10 0.00 0.13 0.00 0.00 31.00 31.92 3hk9 h PRO 351 CO 0.62 0.46 0.05 -1.14 -0.23 0.00 0.00 178.00 177.75 3hk9 s GLN 352 N -5.67 1.39 0.04 0.86 2.00 -1.26 -3.41 119.66 113.61 3hk9 s GLN 352 Ca -0.10 -0.84 -0.12 0.00 -2.00 0.00 0.00 55.36 52.30 3hk9 s GLN 352 Cb 0.20 0.53 0.01 0.00 0.80 0.00 0.00 33.01 34.56 3hk9 s GLN 352 CO 0.78 -0.59 0.26 -3.38 -0.50 0.00 0.00 175.29 171.86 3hk9 s HIS 353 N -3.87 -0.05 -0.02 1.67 -3.43 -1.26 -4.58 115.29 103.76 3hk9 s HIS 353 Ca 0.09 -0.11 0.12 0.00 -0.80 0.00 0.00 55.06 54.36 3hk9 s HIS 353 Cb -0.01 0.05 -0.22 0.00 -1.43 0.00 0.00 32.58 30.97 3hk9 s HIS 353 CO -0.03 -0.47 0.78 0.66 -2.00 0.00 0.00 174.74 173.68 3hk9 h SER 354 N 3.34 0.00 -1.59 7.38 4.64 -1.92 -3.44 113.55 121.96 3hk9 h SER 354 Ca -0.32 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.64 3hk9 h SER 354 Cb 1.20 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.19 3hk9 h SER 354 CO 0.46 0.98 -0.39 -0.67 -0.87 0.00 0.00 176.83 176.35 3hk9 n ASP 355 N -3.09 -5.21 -4.67 4.97 -0.08 -0.06 -4.89 116.55 103.51 3hk9 n ASP 355 Ca -0.13 0.25 -0.47 0.00 -1.51 0.00 0.00 54.79 52.93 3hk9 n ASP 355 Cb 1.02 -4.30 -0.04 0.00 2.34 0.00 0.00 41.12 40.14 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 -0.03 1.19 -0.02 -1.67 0.00 -1.26 -4.43 120.51 114.29 3hk9 n ALA 356 Ca -0.20 0.42 0.05 0.00 0.00 0.00 0.00 53.44 53.72 3hk9 n ALA 356 Cb 0.62 -2.36 -0.12 0.00 0.00 0.00 0.00 19.45 17.59 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 3.90 0.67 -5.10 0.00 1.74 -1.26 0.48 116.66 117.09 3hk9 n ARG 357 Ca 0.18 -0.12 -0.30 0.00 -0.77 0.00 0.00 57.85 56.85 3hk9 n ARG 357 Cb 0.28 -1.36 -0.17 0.00 -1.02 0.00 0.00 32.46 30.20 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 -2.92 1.84 0.20 1.55 1.01 -1.26 -4.39 120.40 116.43 3hk9 s VAL 358 Ca -0.06 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 3hk9 s VAL 358 Cb 0.09 -1.58 0.17 0.00 0.00 0.00 0.00 36.38 35.06 3hk9 s VAL 358 CO 0.61 0.51 1.57 0.25 0.00 0.00 0.00 175.10 178.05 3hk9 h LEU 359 N 6.40 -1.26 -2.81 3.92 5.85 -1.04 -1.67 115.31 124.70 3hk9 h LEU 359 Ca -0.28 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3hk9 h LEU 359 Cb 1.20 0.64 -0.00 0.00 0.37 0.00 0.00 40.66 42.87 3hk9 h LEU 359 CO 0.47 -0.30 0.06 -0.33 -0.34 0.00 0.00 178.44 178.00 3hk9 h GLU 360 N -0.10 0.00 0.00 1.25 3.07 -1.94 -2.72 114.58 114.13 3hk9 h GLU 360 Ca 0.28 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3hk9 h GLU 360 Cb 0.57 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3hk9 h GLU 360 CO -0.80 0.00 -0.01 1.96 -1.40 0.00 0.00 179.01 178.76 3hk9 h GLN 361 N 0.00 0.00 -0.38 2.33 4.20 -1.71 -1.73 115.11 117.82 3hk9 h GLN 361 Ca 0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 3hk9 h GLN 361 Cb 0.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3hk9 h GLN 361 CO -0.00 0.01 0.26 -0.07 -0.67 0.00 0.00 178.83 178.36 3hk9 h LEU 362 N 0.00 0.17 0.78 1.46 3.38 -1.67 0.77 115.31 120.21 3hk9 h LEU 362 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3hk9 h LEU 362 Cb 0.03 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.75 3hk9 h LEU 362 CO 0.00 0.11 -0.37 0.40 0.09 0.00 0.00 178.44 178.67 3hk9 h ILE 363 N 0.20 0.06 -0.26 1.22 2.04 -1.56 -2.87 117.51 116.33 3hk9 h ILE 363 Ca 0.17 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 65.70 3hk9 h ILE 363 Cb 0.43 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3hk9 h ILE 363 CO -0.03 0.01 -0.30 0.10 0.00 0.00 0.00 178.15 177.93 3hk9 h TYR 364 N -1.24 0.81 -0.41 1.37 -0.00 -1.63 -1.00 116.97 114.87 3hk9 h TYR 364 Ca -0.11 -0.25 0.08 0.00 0.00 0.00 0.00 58.73 58.45 3hk9 h TYR 364 Cb 0.81 -0.17 -0.08 0.00 0.00 0.00 0.00 36.73 37.30 3hk9 h TYR 364 CO -0.00 0.99 -0.10 0.87 -0.00 0.00 0.00 178.16 179.93 3hk9 h LYS 365 N 0.39 0.01 0.01 0.10 1.79 -0.97 0.18 116.57 118.08 3hk9 h LYS 365 Ca 0.04 -0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.31 3hk9 h LYS 365 Cb 0.87 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.50 3hk9 h LYS 365 CO 0.07 0.00 -0.93 -1.49 -1.08 0.00 0.00 179.45 176.03 3hk9 h TRP 366 N 0.01 0.05 -0.26 -1.35 4.06 -1.52 -2.60 115.95 114.34 3hk9 h TRP 366 Ca 0.20 -0.03 -0.14 0.00 2.06 0.00 0.00 58.89 60.97 3hk9 h TRP 366 Cb 0.30 -0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.46 3hk9 h TRP 366 CO -0.36 0.94 -0.39 1.25 -3.56 0.00 0.00 178.44 176.33 3hk9 h HIS 367 N 0.01 0.90 -0.49 0.49 2.76 -0.64 -0.66 115.15 117.52 3hk9 h HIS 367 Ca -0.02 -0.30 -0.10 0.00 -2.20 0.00 0.00 60.37 57.75 3hk9 h HIS 367 Cb 1.63 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 30.40 3hk9 h HIS 367 CO 0.01 1.07 -0.10 0.45 -1.30 0.00 0.00 177.93 178.06 3hk9 h HIS 368 N 0.46 1.04 -0.03 5.26 3.86 -0.73 -2.98 115.15 122.02 3hk9 h HIS 368 Ca 0.03 -0.22 -0.21 0.00 -1.16 0.00 0.00 60.37 58.81 3hk9 h HIS 368 Cb 0.98 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 29.21 3hk9 h HIS 368 CO 0.08 1.00 -0.78 0.77 0.86 0.00 0.00 177.93 179.85 3hk9 h SER 369 N 0.78 0.74 -0.96 2.45 0.02 -1.49 -3.24 113.55 111.86 3hk9 h SER 369 Ca 0.13 -0.72 0.04 0.00 -0.84 0.00 0.00 61.79 60.40 3hk9 h SER 369 Cb 0.65 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.91 3hk9 h SER 369 CO 0.04 1.36 0.63 0.11 -1.14 0.00 0.00 176.83 177.83 3hk9 h LYS 370 N 0.20 1.16 -0.52 3.45 1.57 -1.16 -0.14 116.57 121.13 3hk9 h LYS 370 Ca -0.09 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 3hk9 h LYS 370 Cb 1.45 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 3hk9 h LYS 370 CO 0.16 0.77 0.17 0.66 -0.57 0.00 0.00 179.45 180.64 3hk9 h SER 371 N 1.20 0.70 -0.15 0.86 4.64 -1.59 0.41 113.55 119.62 3hk9 h SER 371 Ca 0.39 -0.10 -0.21 0.00 -0.47 0.00 0.00 61.79 61.40 3hk9 h SER 371 Cb 0.03 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 61.95 3hk9 h SER 371 CO -0.13 0.66 -0.74 0.40 -0.87 0.00 0.00 176.83 176.15 3hk9 h ILE 372 N 0.75 1.29 -0.33 0.95 2.04 -1.38 -2.33 117.51 118.50 3hk9 h ILE 372 Ca 0.18 -1.94 -0.10 0.00 1.00 0.00 0.00 64.86 63.99 3hk9 h ILE 372 Cb 0.20 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3hk9 h ILE 372 CO -0.01 0.61 -0.21 0.40 0.00 0.00 0.00 178.15 178.95 3hk9 h ILE 373 N 0.48 1.26 -0.52 -0.67 2.04 -0.77 -2.10 117.51 117.23 3hk9 h ILE 373 Ca -0.05 -1.26 -0.06 0.00 1.00 0.00 0.00 64.86 64.50 3hk9 h ILE 373 Cb 1.37 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 3hk9 h ILE 373 CO 0.15 0.41 0.10 0.00 0.00 0.00 0.00 178.15 178.82 3hk9 h ALA 374 N 1.21 0.69 -0.50 1.87 0.00 -0.91 -1.32 119.26 120.29 3hk9 h ALA 374 Ca 0.08 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3hk9 h ALA 374 Cb 0.66 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3hk9 h ALA 374 CO 0.05 0.41 0.28 0.93 0.00 0.00 0.00 179.25 180.91 3hk9 h GLU 375 N 0.74 0.53 -0.33 0.00 5.08 -1.08 0.28 114.58 119.79 3hk9 h GLU 375 Ca 0.16 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3hk9 h GLU 375 Cb 0.37 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3hk9 h GLU 375 CO 0.01 0.35 0.07 0.28 -1.00 0.00 0.00 179.01 178.72 3hk9 h VAL 376 N 0.54 1.23 -0.20 3.13 2.07 -1.20 -1.98 116.25 119.84 3hk9 h VAL 376 Ca 0.21 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3hk9 h VAL 376 Cb 0.08 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3hk9 h VAL 376 CO -0.13 0.26 0.06 -0.07 0.02 0.00 0.00 177.57 177.71 3hk9 h LEU 377 N 0.39 0.06 -0.22 2.57 3.38 -0.92 -0.59 115.31 119.98 3hk9 h LEU 377 Ca 0.10 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3hk9 h LEU 377 Cb 0.32 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3hk9 h LEU 377 CO 0.00 0.06 -0.11 0.40 0.09 0.00 0.00 178.44 178.88 3hk9 h ILE 378 N 0.15 0.65 -0.63 1.22 2.04 -0.83 0.44 117.51 120.56 3hk9 h ILE 378 Ca 0.09 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.98 3hk9 h ILE 378 Cb 0.06 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3hk9 h ILE 378 CO -0.10 0.00 0.39 0.44 0.00 0.00 0.00 178.15 178.88 3hk9 h ASP 379 N -0.09 0.63 -0.33 1.72 3.32 -1.03 0.25 116.42 120.88 3hk9 h ASP 379 Ca 0.12 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.00 3hk9 h ASP 379 Cb 0.26 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3hk9 h ASP 379 CO -0.27 0.43 -0.45 0.11 -1.72 0.00 0.00 179.24 177.34 3hk9 h LYS 380 N 0.76 0.89 -0.49 3.56 6.56 -0.49 -0.49 116.57 126.88 3hk9 h LYS 380 Ca 0.26 -0.51 -0.10 0.00 -1.06 0.00 0.00 60.65 59.24 3hk9 h LYS 380 Cb 0.03 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 3hk9 h LYS 380 CO -0.11 1.16 -0.08 1.88 -2.06 0.00 0.00 179.45 180.23 3hk9 h TYR 381 N 0.68 0.96 -0.64 -1.35 0.05 0.10 -2.73 116.97 114.05 3hk9 h TYR 381 Ca 0.04 -0.17 -0.07 0.00 0.05 0.00 0.00 58.73 58.57 3hk9 h TYR 381 Cb 1.05 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 38.52 3hk9 h TYR 381 CO 0.07 0.91 0.10 0.22 -1.05 0.00 0.00 178.16 178.42 3hk9 h ASP 382 N 0.79 0.99 -0.82 3.88 3.58 -0.35 -0.67 116.42 123.81 3hk9 h ASP 382 Ca 0.13 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 3hk9 h ASP 382 Cb 0.59 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.34 3hk9 h ASP 382 CO 0.04 0.98 0.47 0.44 -2.88 0.00 0.00 179.24 178.29 3hk9 h ASP 383 N 0.97 1.02 1.46 2.28 3.32 -0.79 -0.20 116.42 124.48 3hk9 h ASP 383 Ca 0.20 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 3hk9 h ASP 383 Cb 0.42 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3hk9 h ASP 383 CO 0.01 0.81 -0.54 0.16 -1.72 0.00 0.00 179.24 177.96 3hk9 h ILE 384 N 1.16 0.91 -0.71 0.35 3.07 -1.26 -2.93 117.51 118.10 3hk9 h ILE 384 Ca 0.29 -2.29 -0.03 0.00 1.55 0.00 0.00 64.86 64.38 3hk9 h ILE 384 Cb 0.01 2.45 -0.03 0.00 -0.27 0.00 0.00 36.82 38.97 3hk9 h ILE 384 CO -0.05 0.52 0.31 0.25 -1.05 0.00 0.00 178.15 178.13 3hk9 h LEU 385 N 0.00 0.94 -1.30 0.16 5.85 -0.36 -0.27 115.31 120.34 3hk9 h LEU 385 Ca -0.01 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 3hk9 h LEU 385 Cb 1.41 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3hk9 h LEU 385 CO 0.07 0.83 -0.22 1.56 -0.34 0.00 0.00 178.44 180.34 3hk9 h GLN 386 N 1.02 0.20 0.00 1.25 1.08 -0.89 -0.86 115.11 116.91 3hk9 h GLN 386 Ca 0.24 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3hk9 h GLN 386 Cb 0.16 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3hk9 h GLN 386 CO -0.02 0.42 0.00 0.00 -0.95 0.00 0.00 178.83 178.27 3hk9 n ALA 387 N -2.48 2.34 0.00 3.87 0.00 -0.59 -4.88 120.51 118.77 3hk9 n ALA 387 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3hk9 n ALA 387 Cb 0.33 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.05 0.67 3.74 0.00 0.00 -0.33 -5.09 105.19 105.23 3hk9 n GLY 388 Ca 0.12 0.00 -0.40 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 -2.00 3.81 -0.19 1.61 -0.11 -0.21 -4.97 118.94 116.88 3hk9 s TRP 389 Ca 0.00 1.70 0.01 0.00 1.22 0.00 0.00 56.10 59.04 3hk9 s TRP 389 Cb 0.00 -2.96 0.03 0.00 -1.50 0.00 0.00 33.47 29.04 3hk9 s TRP 389 CO 0.00 0.27 -0.17 -1.21 -4.62 0.00 0.00 176.95 171.22 3hk9 s GLU 390 N -0.21 2.74 0.45 5.86 2.02 -1.26 -3.54 118.70 124.76 3hk9 s GLU 390 Ca 0.43 -0.89 -0.04 0.00 0.02 0.00 0.00 54.97 54.48 3hk9 s GLU 390 Cb -0.23 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 3hk9 s GLU 390 CO 0.28 -0.29 0.73 0.14 0.02 0.00 0.00 175.26 176.14 3hk9 s VAL 391 N 1.28 4.95 0.26 2.63 -7.23 -1.26 -4.62 120.40 116.41 3hk9 s VAL 391 Ca 0.02 0.07 0.07 0.00 -1.81 0.00 0.00 61.98 60.33 3hk9 s VAL 391 Cb -0.14 -3.86 -0.04 0.00 0.56 0.00 0.00 36.38 32.90 3hk9 s VAL 391 CO -0.11 -0.78 0.20 0.42 -0.31 0.00 0.00 175.10 174.52 3hk9 s THR 392 N -2.64 4.38 0.49 5.32 -4.23 -1.26 -1.30 115.64 116.41 3hk9 s THR 392 Ca 0.46 -1.41 0.21 0.00 -1.18 0.00 0.00 61.69 59.77 3hk9 s THR 392 Cb -0.10 -3.38 0.27 0.00 1.34 0.00 0.00 72.50 70.62 3hk9 s THR 392 CO 0.43 -0.34 2.11 -0.08 -0.54 0.00 0.00 174.62 176.19 3hk9 h GLU 393 N 1.49 0.00 -0.25 3.99 4.81 -1.98 -2.26 114.58 120.38 3hk9 h GLU 393 Ca -0.48 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.60 3hk9 h GLU 393 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 3hk9 h GLU 393 CO 0.61 0.08 -0.46 1.49 -0.73 0.00 0.00 179.01 180.00 3hk9 h GLU 394 N 0.00 0.66 -0.24 1.92 4.57 -2.00 -2.35 114.58 117.14 3hk9 h GLU 394 Ca -0.00 -0.37 -0.13 0.00 -1.18 0.00 0.00 59.36 57.68 3hk9 h GLU 394 Cb 0.17 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3hk9 h GLU 394 CO 0.01 0.98 -0.41 0.93 -1.18 0.00 0.00 179.01 179.34 3hk9 h GLU 395 N 0.52 0.57 -0.47 1.92 5.08 -1.82 -1.82 114.58 118.56 3hk9 h GLU 395 Ca 0.03 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 3hk9 h GLU 395 Cb 1.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3hk9 h GLU 395 CO 0.09 0.87 0.19 0.82 -1.00 0.00 0.00 179.01 179.99 3hk9 h ILE 396 N 0.47 1.20 -0.25 3.13 2.04 -1.32 0.93 117.51 123.70 3hk9 h ILE 396 Ca 0.04 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 3hk9 h ILE 396 Cb 0.91 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3hk9 h ILE 396 CO 0.08 0.23 -0.15 0.11 0.00 0.00 0.00 178.15 178.42 3hk9 h LYS 397 N 0.61 0.43 -0.03 2.37 1.57 -1.30 0.77 116.57 121.00 3hk9 h LYS 397 Ca 0.16 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3hk9 h LYS 397 Cb 0.18 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3hk9 h LYS 397 CO -0.01 0.58 0.00 -0.09 -0.57 0.00 0.00 179.45 179.36 3hk9 h ARG 398 N 0.40 0.05 -0.33 3.15 2.43 -0.84 -0.46 114.38 118.78 3hk9 h ARG 398 Ca 0.07 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3hk9 h ARG 398 Cb 0.51 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3hk9 h ARG 398 CO 0.03 0.30 0.17 -0.44 -1.51 0.00 0.00 179.97 178.52 3hk9 h ASP 399 N -0.22 0.42 -0.80 -3.80 3.32 -0.52 -2.09 116.42 112.74 3hk9 h ASP 399 Ca 0.01 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3hk9 h ASP 399 Cb 0.28 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 3hk9 h ASP 399 CO 0.00 0.41 0.46 0.58 -1.72 0.00 0.00 179.24 178.96 3hk9 h VAL 400 N 0.40 1.23 -0.86 -1.35 2.07 -0.81 -2.18 116.25 114.75 3hk9 h VAL 400 Ca 0.11 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3hk9 h VAL 400 Cb 0.09 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 3hk9 h VAL 400 CO -0.02 0.25 0.47 0.00 0.02 0.00 0.00 177.57 178.29 3hk9 h ALA 401 N 1.24 1.21 -0.08 1.67 0.00 -0.87 -1.56 119.26 120.87 3hk9 h ALA 401 Ca 0.28 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hk9 h ALA 401 Cb -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3hk9 h ALA 401 CO -0.05 0.64 0.05 -0.44 0.00 0.00 0.00 179.25 179.44 3hk9 h ASP 402 N 1.20 0.10 -0.59 0.00 3.32 -0.82 0.21 116.42 119.84 3hk9 h ASP 402 Ca 0.30 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 3hk9 h ASP 402 Cb 0.03 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3hk9 h ASP 402 CO -0.05 0.13 0.22 -0.07 -1.72 0.00 0.00 179.24 177.76 3hk9 h LEU 403 N 0.05 0.82 -0.33 1.55 3.38 -1.14 0.95 115.31 120.59 3hk9 h LEU 403 Ca 0.03 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3hk9 h LEU 403 Cb 0.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hk9 h LEU 403 CO -0.00 0.77 -0.54 0.49 0.09 0.00 0.00 178.44 179.25 3hk9 n PHE 404 N -4.46 0.00 0.08 1.13 3.72 -0.61 -4.22 117.46 113.09 3hk9 n PHE 404 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3hk9 n PHE 404 Cb 0.17 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.97 -1.23 -0.05 4.37 2.88 0.31 -1.83 113.62 117.10 3hk9 n SER 405 Ca 0.08 0.29 -0.02 0.00 -1.33 0.00 0.00 58.87 57.88 3hk9 n SER 405 Cb 0.36 1.44 0.23 0.00 -0.75 0.00 0.00 64.21 65.49 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 0.65 -0.66 -1.46 3.08 -0.73 -2.90 114.38 112.35 3hk9 h ARG 406 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3hk9 h ARG 406 Cb 0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3hk9 h ARG 406 CO 0.00 0.66 0.41 -0.91 -1.07 0.00 0.00 179.97 179.07 3hk9 h ASN 407 N 0.62 0.78 0.63 7.04 2.35 -1.02 0.30 115.58 126.28 3hk9 h ASN 407 Ca 0.13 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3hk9 h ASN 407 Cb 0.38 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.56 3hk9 h ASN 407 CO 0.01 0.59 -0.30 0.15 -1.65 0.00 0.00 177.43 176.24 3hk9 h PHE 408 N 0.90 -0.78 -0.88 1.19 3.57 -1.75 -1.52 116.94 117.67 3hk9 h PHE 408 Ca 0.24 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.75 3hk9 h PHE 408 Cb -0.06 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 3hk9 h PHE 408 CO -0.02 -0.44 0.58 -1.49 -2.23 0.00 0.00 178.31 174.70 3hk9 h TRP 409 N -1.01 1.06 -0.10 0.41 4.06 -1.48 -0.62 115.95 118.28 3hk9 h TRP 409 Ca -0.09 0.03 -0.08 0.00 2.06 0.00 0.00 58.89 60.81 3hk9 h TRP 409 Cb 0.69 -0.35 -0.01 0.00 -1.00 0.00 0.00 29.16 28.48 3hk9 h TRP 409 CO -0.01 0.62 -0.30 -0.09 -3.56 0.00 0.00 178.44 175.10 3hk9 h ARG 410 N 1.10 0.18 -0.02 0.49 2.43 -0.92 -1.23 114.38 116.41 3hk9 h ARG 410 Ca 0.35 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.30 3hk9 h ARG 410 Cb 0.01 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3hk9 h ARG 410 CO -0.10 0.47 -0.56 0.35 -1.51 0.00 0.00 179.97 178.62 3hk9 h PHE 411 N 0.16 0.61 0.00 2.20 3.57 -0.08 -3.21 116.94 120.19 3hk9 h PHE 411 Ca 0.02 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.21 3hk9 h PHE 411 Cb 0.62 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.29 3hk9 h PHE 411 CO 0.01 1.12 0.00 -0.39 -2.23 0.00 0.00 178.31 176.82 3hk9 h VAL 412 N -0.07 0.00 -2.02 1.41 -1.51 -1.15 -3.47 116.25 109.44 3hk9 h VAL 412 Ca -0.06 -0.65 -0.04 0.00 -1.23 0.00 0.00 66.70 64.72 3hk9 h VAL 412 Cb 1.26 1.62 0.02 0.00 -2.13 0.00 0.00 31.29 32.06 3hk9 h VAL 412 CO 0.11 0.00 -0.09 0.61 -1.23 0.00 0.00 177.57 176.98 3hk9 n GLY 413 N 0.49 0.56 0.00 5.19 0.00 -0.50 -4.81 105.19 106.11 3hk9 n GLY 413 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3hk9 n GLY 413 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86