#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hk5 h ARG 6 N 0.00 0.45 0.00 4.33 2.43 -2.00 -2.90 114.38 116.69 3hk5 h ARG 6 Ca 0.00 -0.36 -0.10 0.00 -0.81 0.00 0.00 59.98 58.70 3hk5 h ARG 6 Cb 0.00 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3hk5 h ARG 6 CO 0.00 1.00 -0.49 0.93 -1.51 0.00 0.00 179.97 179.90 3hk5 h GLU 7 N 0.31 0.00 -0.25 0.20 4.39 -2.02 0.31 114.58 117.53 3hk5 h GLU 7 Ca -0.03 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 3hk5 h GLU 7 Cb 1.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3hk5 h GLU 7 CO 0.13 0.49 -0.30 0.28 -1.16 0.00 0.00 179.01 178.44 3hk5 h VAL 8 N 0.00 1.31 -0.29 3.13 2.07 -2.00 -2.50 116.25 117.97 3hk5 h VAL 8 Ca -0.00 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 3hk5 h VAL 8 Cb 0.87 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3hk5 h VAL 8 CO 0.06 0.47 0.11 0.25 0.02 0.00 0.00 177.57 178.48 3hk5 h LEU 9 N 0.35 0.41 -0.49 2.57 5.85 -1.28 -2.79 115.31 119.93 3hk5 h LEU 9 Ca 0.03 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.67 3hk5 h LEU 9 Cb 0.88 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 3hk5 h LEU 9 CO 0.07 0.48 -0.03 0.00 -0.34 0.00 0.00 178.44 178.63 3hk5 h ALA 10 N 0.95 0.43 -0.84 1.25 0.00 -0.32 0.27 119.26 121.00 3hk5 h ALA 10 Ca 0.10 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3hk5 h ALA 10 Cb 0.21 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3hk5 h ALA 10 CO -0.01 -0.40 0.41 0.93 0.00 0.00 0.00 179.25 180.18 3hk5 h GLU 11 N 0.09 1.21 -0.46 0.00 4.39 -1.34 0.32 114.58 118.78 3hk5 h GLU 11 Ca 0.25 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 3hk5 h GLU 11 Cb 0.37 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3hk5 h GLU 11 CO -0.43 0.92 -0.02 0.87 -1.16 0.00 0.00 179.01 179.19 3hk5 h LYS 12 N 1.19 0.83 -0.05 2.33 1.57 -1.06 -0.41 116.57 120.98 3hk5 h LYS 12 Ca 0.29 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3hk5 h LYS 12 Cb 0.11 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3hk5 h LYS 12 CO -0.04 0.90 0.00 0.28 -0.57 0.00 0.00 179.45 180.02 3hk5 h VAL 13 N 0.68 1.23 -0.80 0.50 2.07 -0.70 -0.53 116.25 118.70 3hk5 h VAL 13 Ca 0.13 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3hk5 h VAL 13 Cb 0.54 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 3hk5 h VAL 13 CO 0.03 0.19 0.53 0.11 0.02 0.00 0.00 177.57 178.44 3hk5 h LYS 14 N -0.19 1.04 -0.12 1.57 1.57 -0.91 0.58 116.57 120.10 3hk5 h LYS 14 Ca 0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3hk5 h LYS 14 Cb 0.30 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3hk5 h LYS 14 CO 0.00 0.69 0.05 -0.91 -0.57 0.00 0.00 179.45 178.71 3hk5 h ASN 15 N 1.07 0.16 -0.43 0.86 -0.26 -0.98 -0.19 115.58 115.81 3hk5 h ASN 15 Ca 0.29 -0.16 0.01 0.00 -0.56 0.00 0.00 56.30 55.89 3hk5 h ASN 15 Cb -0.11 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.09 3hk5 h ASN 15 CO -0.07 0.27 0.28 0.00 -1.06 0.00 0.00 177.43 176.85 3hk5 h ALA 16 N 0.89 0.55 -0.25 -0.83 0.00 -0.74 -0.97 119.26 117.91 3hk5 h ALA 16 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hk5 h ALA 16 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hk5 h ALA 16 CO -0.00 -0.02 0.11 0.28 0.00 0.00 0.00 179.25 179.62 3hk5 h VAL 17 N 0.56 1.15 -0.27 0.00 2.07 -0.77 -1.12 116.25 117.88 3hk5 h VAL 17 Ca 0.16 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 3hk5 h VAL 17 Cb -0.05 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3hk5 h VAL 17 CO -0.05 0.15 -0.21 0.78 0.02 0.00 0.00 177.57 178.27 3hk5 h ASN 18 N 0.26 0.50 1.55 0.57 2.35 -0.86 -3.12 115.58 116.83 3hk5 h ASN 18 Ca 0.08 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3hk5 h ASN 18 Cb 0.14 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3hk5 h ASN 18 CO -0.01 0.72 -0.41 0.78 -1.65 0.00 0.00 177.43 176.85 3hk5 h ASN 19 N 0.45 0.00 -2.52 5.81 2.35 -1.08 -3.46 115.58 117.13 3hk5 h ASN 19 Ca 0.07 -0.01 -0.55 0.00 -0.55 0.00 0.00 56.30 55.26 3hk5 h ASN 19 Cb 0.62 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 3hk5 h ASN 19 CO 0.04 0.00 1.17 -1.58 -1.65 0.00 0.00 177.43 175.42 3hk5 s GLN 20 N -3.26 4.00 0.25 0.81 2.00 -0.43 -4.94 119.66 118.07 3hk5 s GLN 20 Ca 0.04 2.18 -0.30 0.00 -2.00 0.00 0.00 55.36 55.28 3hk5 s GLN 20 Cb 0.07 -4.08 -0.10 0.00 0.80 0.00 0.00 33.01 29.70 3hk5 s GLN 20 CO 0.72 -1.08 1.46 -2.14 -0.50 0.00 0.00 175.29 173.75 3hk5 s PRO 21 N 4.49 4.25 -0.10 1.67 0.02 -1.26 -4.94 135.00 139.12 3hk5 s PRO 21 Ca 0.80 2.33 -0.09 0.00 0.02 0.00 0.00 61.00 64.06 3hk5 s PRO 21 Cb -0.34 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.03 3hk5 s PRO 21 CO 0.33 -0.46 0.21 0.08 -0.33 0.00 0.00 177.00 176.83 3hk5 s VAL 22 N 0.09 5.39 -0.37 3.83 1.01 0.30 -4.70 120.40 125.94 3hk5 s VAL 22 Ca 0.61 0.37 -0.09 0.00 0.00 0.00 0.00 61.98 62.86 3hk5 s VAL 22 Cb -0.43 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.51 3hk5 s VAL 22 CO 0.43 0.59 0.17 -0.89 0.00 0.00 0.00 175.10 175.40 3hk5 s THR 23 N -0.87 4.25 -0.76 3.92 2.01 -0.77 -0.45 115.64 122.96 3hk5 s THR 23 Ca 0.17 -1.02 -0.23 0.00 0.31 0.00 0.00 61.69 60.91 3hk5 s THR 23 Cb -0.13 -3.41 0.07 0.00 0.01 0.00 0.00 72.50 69.04 3hk5 s THR 23 CO 0.06 -0.25 1.13 -0.62 -0.69 0.00 0.00 174.62 174.25 3hk5 s ASP 24 N 1.55 6.27 0.00 3.53 -1.08 0.43 -4.75 116.67 122.62 3hk5 s ASP 24 Ca 0.01 -1.05 0.11 0.00 -0.52 0.00 0.00 52.55 51.10 3hk5 s ASP 24 Cb -0.20 -2.47 0.63 0.00 -1.46 0.00 0.00 42.92 39.43 3hk5 s ASP 24 CO 0.05 -1.50 1.22 1.15 0.52 0.00 0.00 175.17 176.60 3hk5 n MET 25 N 8.13 0.76 -3.21 4.34 0.00 -1.26 -1.04 117.12 124.83 3hk5 n MET 25 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.80 3hk5 n MET 25 Cb 0.47 -1.22 -0.02 0.00 0.00 0.00 0.00 33.22 32.46 3hk5 n MET 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3hk5 s HIS 26 N -2.00 -1.34 0.29 3.17 5.65 -1.26 -4.76 115.29 115.05 3hk5 s HIS 26 Ca 0.16 1.54 -0.01 0.00 0.25 0.00 0.00 55.06 57.00 3hk5 s HIS 26 Cb 0.07 0.51 -0.02 0.00 -1.18 0.00 0.00 32.58 31.97 3hk5 s HIS 26 CO 0.12 -0.72 0.35 0.95 -0.65 0.00 0.00 174.74 174.79 3hk5 s THR 27 N 2.86 0.00 -0.29 0.89 -4.23 -0.59 -1.22 115.64 113.07 3hk5 s THR 27 Ca 0.13 -1.76 0.09 0.00 -1.18 0.00 0.00 61.69 58.97 3hk5 s THR 27 Cb -0.13 -2.51 0.46 0.00 1.34 0.00 0.00 72.50 71.66 3hk5 s THR 27 CO -0.19 0.00 1.18 1.41 -0.54 0.00 0.00 174.62 176.48 3hk5 n HIS 28 N -0.49 2.55 -3.73 3.99 8.25 0.16 -2.92 115.22 123.02 3hk5 n HIS 28 Ca 0.02 -2.20 -0.20 0.00 -0.26 0.00 0.00 57.72 55.08 3hk5 n HIS 28 Cb 0.63 -0.33 -0.02 0.00 1.12 0.00 0.00 29.99 31.39 3hk5 n HIS 28 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hk5 s LEU 29 N -3.61 3.81 0.03 2.41 1.43 -1.19 -4.53 118.68 117.03 3hk5 s LEU 29 Ca 0.48 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 3hk5 s LEU 29 Cb 0.40 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 3hk5 s LEU 29 CO 0.03 -0.33 -0.06 -0.36 0.23 0.00 0.00 176.35 175.86 3hk5 s PHE 30 N -2.22 0.55 0.29 0.29 0.08 -1.26 -4.44 117.98 111.28 3hk5 s PHE 30 Ca 0.41 -0.49 -0.29 0.00 0.12 0.00 0.00 56.93 56.68 3hk5 s PHE 30 Cb -0.08 -0.34 -0.13 0.00 -0.57 0.00 0.00 43.02 41.90 3hk5 s PHE 30 CO 0.28 -0.11 1.27 0.45 -0.10 0.00 0.00 175.22 177.02 3hk5 n SER 31 N 1.56 2.44 -0.26 1.36 2.88 -1.26 -4.77 113.62 115.57 3hk5 n SER 31 Ca -0.23 1.18 0.08 0.00 -1.33 0.00 0.00 58.87 58.57 3hk5 n SER 31 Cb 0.55 -1.42 0.21 0.00 -0.75 0.00 0.00 64.21 62.80 3hk5 n SER 31 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3hk5 h PRO 32 N 3.03 0.23 0.00 -1.46 0.11 -1.94 0.65 132.00 132.62 3hk5 h PRO 32 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hk5 h PRO 32 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hk5 h PRO 32 CO 0.67 0.15 0.00 0.27 -0.21 0.00 0.00 178.00 178.88 3hk5 n ASN 33 N -5.20 0.03 0.07 -2.05 6.94 -1.26 -1.83 115.26 111.96 3hk5 n ASN 33 Ca 0.16 0.51 0.12 0.00 -0.02 0.00 0.00 54.58 55.35 3hk5 n ASN 33 Cb 0.52 -0.52 0.46 0.00 -2.36 0.00 0.00 39.78 37.88 3hk5 n ASN 33 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 3hk5 n PHE 34 N -1.54 0.52 0.00 -2.53 3.01 0.22 -5.01 117.46 112.13 3hk5 n PHE 34 Ca 0.01 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.65 3hk5 n PHE 34 Cb 0.05 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 38.74 3hk5 n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hk5 n GLY 35 N 0.68 -0.38 0.07 1.37 0.00 -0.76 -4.59 105.19 101.58 3hk5 n GLY 35 Ca 0.04 -2.01 0.10 0.00 0.00 0.00 0.00 46.02 44.15 3hk5 n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hk5 n GLU 36 N 0.00 0.10 0.28 1.61 -0.58 -1.26 -2.65 120.64 118.15 3hk5 n GLU 36 Ca 0.00 0.35 0.13 0.00 -0.42 0.00 0.00 57.16 57.22 3hk5 n GLU 36 Cb 0.00 -1.70 0.83 0.00 -0.57 0.00 0.00 31.44 30.00 3hk5 n GLU 36 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 3hk5 h ILE 37 N 0.00 0.67 -2.72 -3.67 3.07 -1.96 -3.36 117.51 109.54 3hk5 h ILE 37 Ca 0.00 0.00 -0.55 0.00 1.55 0.00 0.00 64.86 65.86 3hk5 h ILE 37 Cb 0.31 0.99 -0.05 0.00 -0.27 0.00 0.00 36.82 37.80 3hk5 h ILE 37 CO 0.00 0.00 1.18 -0.22 -1.05 0.00 0.00 178.15 178.06 3hk5 s LEU 38 N -8.11 3.44 0.08 0.16 2.96 -1.08 -4.82 118.68 111.30 3hk5 s LEU 38 Ca -0.05 0.63 -0.20 0.00 -0.22 0.00 0.00 54.13 54.29 3hk5 s LEU 38 Cb 0.16 -3.15 -0.07 0.00 0.50 0.00 0.00 46.19 43.63 3hk5 s LEU 38 CO 0.59 -1.78 0.59 -0.76 -1.32 0.00 0.00 176.35 173.66 3hk5 s LEU 39 N 6.70 4.53 -0.12 -0.68 1.43 -1.26 -5.00 118.68 124.27 3hk5 s LEU 39 Ca 0.63 1.30 -0.30 0.00 -1.03 0.00 0.00 54.13 54.73 3hk5 s LEU 39 Cb -0.14 -2.94 0.10 0.00 0.03 0.00 0.00 46.19 43.24 3hk5 s LEU 39 CO 0.28 0.26 0.86 -1.66 0.23 0.00 0.00 176.35 176.32 3hk5 s TRP 40 N -1.07 -0.50 0.00 0.29 1.48 -1.26 -0.50 118.94 117.37 3hk5 s TRP 40 Ca 0.30 0.88 0.00 0.00 -1.06 0.00 0.00 56.10 56.22 3hk5 s TRP 40 Cb -0.20 0.43 0.00 0.00 -1.16 0.00 0.00 33.47 32.54 3hk5 s TRP 40 CO 0.20 -0.45 0.00 -0.25 -4.06 0.00 0.00 176.95 172.39 3hk5 n ASP 41 N 0.91 0.00 0.18 -2.66 8.00 -1.26 -4.65 116.55 117.06 3hk5 n ASP 41 Ca -0.14 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.41 3hk5 n ASP 41 Cb 0.57 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.94 3hk5 n ASP 41 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3hk5 h ILE 42 N 1.51 0.89 -0.37 0.53 6.09 -1.95 -1.81 117.51 122.40 3hk5 h ILE 42 Ca 0.00 -1.70 -0.14 0.00 -1.37 0.00 0.00 64.86 61.65 3hk5 h ILE 42 Cb 0.00 2.05 -0.01 0.00 0.47 0.00 0.00 36.82 39.33 3hk5 h ILE 42 CO 0.00 0.40 -0.31 0.44 -3.07 0.00 0.00 178.15 175.61 3hk5 h ASP 43 N 0.00 0.91 -0.44 2.19 3.32 -1.94 -1.85 116.42 118.61 3hk5 h ASP 43 Ca -0.00 -0.45 -0.11 0.00 0.02 0.00 0.00 57.03 56.49 3hk5 h ASP 43 Cb 1.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 3hk5 h ASP 43 CO 0.05 1.17 -0.14 -0.33 -1.72 0.00 0.00 179.24 178.27 3hk5 h GLU 44 N 0.66 0.88 -0.69 3.56 4.39 -1.78 -1.78 114.58 119.82 3hk5 h GLU 44 Ca 0.07 -0.35 0.03 0.00 0.34 0.00 0.00 59.36 59.44 3hk5 h GLU 44 Cb 0.89 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.46 3hk5 h GLU 44 CO 0.08 1.00 0.43 -0.07 -1.16 0.00 0.00 179.01 179.29 3hk5 h LEU 45 N 0.71 0.71 -0.69 1.33 3.38 -1.23 -2.23 115.31 117.29 3hk5 h LEU 45 Ca 0.11 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3hk5 h LEU 45 Cb 0.70 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3hk5 h LEU 45 CO 0.05 0.49 -0.37 -0.07 0.09 0.00 0.00 178.44 178.63 3hk5 h LEU 46 N 0.84 0.00 -2.30 1.67 3.38 -1.21 -3.09 115.31 114.59 3hk5 h LEU 46 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3hk5 h LEU 46 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hk5 h LEU 46 CO -0.11 0.37 0.00 0.35 0.09 0.00 0.00 178.44 179.14 3hk5 n THR 47 N -3.40 1.00 -1.64 0.22 -2.24 -0.68 -4.70 114.28 102.84 3hk5 n THR 47 Ca 0.01 -0.84 -0.44 0.00 -2.27 0.00 0.00 64.05 60.50 3hk5 n THR 47 Cb 0.56 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 69.06 3hk5 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hk5 n TYR 48 N 1.13 1.84 0.29 4.78 9.36 -0.88 -4.74 117.16 128.93 3hk5 n TYR 48 Ca 0.20 0.58 0.16 0.00 3.32 0.00 0.00 57.90 62.16 3hk5 n TYR 48 Cb 0.57 -2.36 0.93 0.00 -0.63 0.00 0.00 39.34 37.85 3hk5 n TYR 48 CO 0.00 0.00 0.00 1.12 0.22 0.00 0.00 176.86 178.20 3hk5 h HIS 49 N 2.97 0.00 -0.74 2.98 2.07 -1.91 -0.52 115.15 120.00 3hk5 h HIS 49 Ca -0.44 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.10 3hk5 h HIS 49 Cb 1.30 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.25 3hk5 h HIS 49 CO 0.52 0.00 0.49 1.88 -3.07 0.00 0.00 177.93 177.75 3hk5 h TYR 50 N 0.00 0.91 0.00 6.12 -1.99 -1.94 -1.81 116.97 118.25 3hk5 h TYR 50 Ca 0.02 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.67 3hk5 h TYR 50 Cb 0.10 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.51 3hk5 h TYR 50 CO 0.00 0.56 -0.61 -0.07 -0.00 0.00 0.00 178.16 178.04 3hk5 h LEU 51 N 0.97 0.00 -0.17 3.88 3.38 -1.40 -2.98 115.31 118.99 3hk5 h LEU 51 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 3hk5 h LEU 51 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3hk5 h LEU 51 CO -0.07 0.43 0.05 0.58 0.09 0.00 0.00 178.44 179.52 3hk5 h VAL 52 N 0.00 1.19 -0.64 1.22 2.07 -1.02 0.15 116.25 119.22 3hk5 h VAL 52 Ca -0.03 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 66.94 3hk5 h VAL 52 Cb 1.35 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 3hk5 h VAL 52 CO 0.05 0.18 0.40 0.00 0.02 0.00 0.00 177.57 178.22 3hk5 h ALA 53 N 0.87 0.83 -0.58 1.67 0.00 -1.44 -1.76 119.26 118.85 3hk5 h ALA 53 Ca 0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3hk5 h ALA 53 Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hk5 h ALA 53 CO -0.00 0.16 0.07 0.93 0.00 0.00 0.00 179.25 180.41 3hk5 h GLU 54 N 0.79 0.98 -0.07 0.00 5.08 -1.31 -2.95 114.58 117.09 3hk5 h GLU 54 Ca 0.25 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 3hk5 h GLU 54 Cb 0.01 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3hk5 h GLU 54 CO -0.10 0.94 -0.43 -0.24 -1.00 0.00 0.00 179.01 178.18 3hk5 h VAL 55 N 0.88 1.32 0.00 3.13 3.04 -0.40 -2.55 116.25 121.67 3hk5 h VAL 55 Ca 0.17 -1.55 0.00 0.00 -1.01 0.00 0.00 66.70 64.31 3hk5 h VAL 55 Cb 0.45 1.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 3hk5 h VAL 55 CO 0.02 0.46 0.00 0.23 -1.01 0.00 0.00 177.57 177.26 3hk5 n MET 56 N -4.01 0.10 0.05 4.17 2.81 -0.69 -1.11 117.12 118.44 3hk5 n MET 56 Ca -0.02 0.44 0.13 0.00 -1.81 0.00 0.00 57.70 56.44 3hk5 n MET 56 Cb 0.48 -1.73 0.35 0.00 -0.71 0.00 0.00 33.22 31.62 3hk5 n MET 56 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3hk5 n ARG 57 N -1.93 0.17 -0.03 0.03 1.74 -0.96 -4.47 116.66 111.20 3hk5 n ARG 57 Ca 0.01 0.09 -0.07 0.00 -0.77 0.00 0.00 57.85 57.11 3hk5 n ARG 57 Cb 0.13 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 3hk5 n ARG 57 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3hk5 n TRP 58 N -1.93 0.00 -2.06 -1.55 7.02 -0.27 -5.08 117.44 113.57 3hk5 n TRP 58 Ca 0.05 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.18 3hk5 n TRP 58 Cb 0.40 -0.25 0.03 0.00 -2.42 0.00 0.00 31.31 29.07 3hk5 n TRP 58 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 3hk5 s THR 59 N -2.13 2.76 -2.15 -0.99 -1.32 -0.32 -4.95 115.64 106.56 3hk5 s THR 59 Ca -0.10 0.47 0.26 0.00 -1.21 0.00 0.00 61.69 61.12 3hk5 s THR 59 Cb 0.04 -3.18 0.32 0.00 -1.51 0.00 0.00 72.50 68.17 3hk5 s THR 59 CO 0.12 -0.11 1.54 0.47 -2.21 0.00 0.00 174.62 174.43 3hk5 n ASP 60 N -1.55 1.48 -4.71 8.08 8.00 -1.26 -4.87 116.55 121.72 3hk5 n ASP 60 Ca 0.13 -1.27 -0.42 0.00 0.71 0.00 0.00 54.79 53.94 3hk5 n ASP 60 Cb 0.50 0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 3hk5 n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hk5 s VAL 61 N -2.29 3.89 0.81 2.53 1.01 -1.26 -5.00 120.40 120.09 3hk5 s VAL 61 Ca 0.28 1.34 -0.12 0.00 0.00 0.00 0.00 61.98 63.49 3hk5 s VAL 61 Cb 0.20 -3.86 0.08 0.00 0.00 0.00 0.00 36.38 32.80 3hk5 s VAL 61 CO 0.45 0.08 1.14 -0.94 0.00 0.00 0.00 175.10 175.83 3hk5 s SER 62 N 1.19 3.87 0.31 3.32 1.04 -1.26 -4.83 113.70 117.33 3hk5 s SER 62 Ca 0.60 2.12 0.03 0.00 0.48 0.00 0.00 55.95 59.18 3hk5 s SER 62 Cb -0.30 -2.56 0.50 0.00 0.10 0.00 0.00 66.02 63.76 3hk5 s SER 62 CO 0.28 -2.47 1.81 -0.29 0.98 0.00 0.00 173.24 173.55 3hk5 h ILE 63 N -1.09 1.22 -0.04 -1.02 6.09 -1.97 -1.38 117.51 119.32 3hk5 h ILE 63 Ca -0.45 -0.96 -0.00 0.00 -1.37 0.00 0.00 64.86 62.08 3hk5 h ILE 63 Cb 1.26 1.05 -0.00 0.00 0.47 0.00 0.00 36.82 39.60 3hk5 h ILE 63 CO 0.47 0.32 0.02 -0.33 -3.07 0.00 0.00 178.15 175.56 3hk5 h GLU 64 N 0.52 0.06 -0.90 2.19 3.07 -1.93 -1.43 114.58 116.16 3hk5 h GLU 64 Ca 0.10 -0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.01 3hk5 h GLU 64 Cb 0.45 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.29 3hk5 h GLU 64 CO 0.02 0.16 0.57 0.00 -1.40 0.00 0.00 179.01 178.36 3hk5 h ALA 65 N 0.90 1.23 -0.36 3.43 0.00 -1.86 -1.49 119.26 121.11 3hk5 h ALA 65 Ca 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hk5 h ALA 65 Cb 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3hk5 h ALA 65 CO -0.00 0.37 0.23 0.35 0.00 0.00 0.00 179.25 180.20 3hk5 h PHE 66 N 1.07 0.44 0.00 0.00 3.57 -0.89 -1.35 116.94 119.78 3hk5 h PHE 66 Ca 0.38 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3hk5 h PHE 66 Cb 0.11 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3hk5 h PHE 66 CO -0.02 0.28 0.00 -1.49 -2.23 0.00 0.00 178.31 174.85 3hk5 h TRP 67 N 0.48 0.00 0.00 0.41 -0.00 -0.68 -2.38 115.95 113.78 3hk5 h TRP 67 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.02 3hk5 h TRP 67 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.11 3hk5 h TRP 67 CO -0.05 0.00 -0.58 0.00 -0.00 0.00 0.00 178.44 177.81 3hk5 h ALA 68 N 2.11 0.65 -2.36 1.49 0.00 -0.25 -3.47 119.26 117.43 3hk5 h ALA 68 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3hk5 h ALA 68 Cb 0.42 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.32 3hk5 h ALA 68 CO 0.00 0.00 0.33 -1.64 0.00 0.00 0.00 179.25 177.94 3hk5 s MET 69 N -3.20 2.28 0.72 0.00 -1.94 -0.75 -5.04 119.30 111.37 3hk5 s MET 69 Ca 0.05 0.86 -0.12 0.00 -1.71 0.00 0.00 55.69 54.78 3hk5 s MET 69 Cb 0.12 -1.92 0.02 0.00 2.01 0.00 0.00 34.83 35.06 3hk5 s MET 69 CO 0.72 -1.54 1.11 -1.54 -0.01 0.00 0.00 175.02 173.75 3hk5 s SER 70 N -3.72 5.28 0.47 3.03 1.04 -1.26 -4.82 113.70 113.72 3hk5 s SER 70 Ca 0.60 1.11 0.17 0.00 0.48 0.00 0.00 55.95 58.32 3hk5 s SER 70 Cb -0.15 -1.88 1.12 0.00 0.10 0.00 0.00 66.02 65.21 3hk5 s SER 70 CO 0.55 -1.44 2.02 0.50 0.98 0.00 0.00 173.24 175.85 3hk5 h LYS 71 N -0.73 0.00 -0.36 4.02 3.64 -1.96 -0.37 116.57 120.81 3hk5 h LYS 71 Ca -0.45 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.84 3hk5 h LYS 71 Cb 1.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 3hk5 h LYS 71 CO 0.64 0.16 -0.11 -0.09 -2.27 0.00 0.00 179.45 177.77 3hk5 h ARG 72 N 0.00 0.71 -0.34 1.90 2.43 -1.95 -1.69 114.38 115.44 3hk5 h ARG 72 Ca -0.00 -0.28 -0.15 0.00 -0.81 0.00 0.00 59.98 58.74 3hk5 h ARG 72 Cb 0.29 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3hk5 h ARG 72 CO 0.02 0.88 -0.39 0.93 -1.51 0.00 0.00 179.97 179.90 3hk5 h GLU 73 N 0.50 0.83 -0.39 0.20 5.08 -1.73 -1.24 114.58 117.83 3hk5 h GLU 73 Ca 0.09 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3hk5 h GLU 73 Cb 0.63 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3hk5 h GLU 73 CO 0.04 1.06 0.20 1.96 -1.00 0.00 0.00 179.01 181.28 3hk5 h GLN 74 N 0.68 0.55 -0.80 2.33 4.20 -1.04 -0.66 115.11 120.37 3hk5 h GLN 74 Ca 0.06 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3hk5 h GLN 74 Cb 0.95 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 3hk5 h GLN 74 CO 0.09 0.46 0.43 0.00 -0.67 0.00 0.00 178.83 179.14 3hk5 h ALA 75 N 1.06 1.03 -0.60 3.87 0.00 -1.18 -0.84 119.26 122.59 3hk5 h ALA 75 Ca 0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hk5 h ALA 75 Cb 0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3hk5 h ALA 75 CO -0.02 0.55 0.21 -0.44 0.00 0.00 0.00 179.25 179.55 3hk5 h ASP 76 N 1.12 0.85 -0.03 0.00 3.32 -0.85 -0.97 116.42 119.87 3hk5 h ASP 76 Ca 0.28 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3hk5 h ASP 76 Cb 0.05 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3hk5 h ASP 76 CO -0.04 0.81 0.01 0.25 -1.72 0.00 0.00 179.24 178.55 3hk5 h LEU 77 N 0.84 0.04 -1.18 1.55 5.85 -0.69 -1.27 115.31 120.45 3hk5 h LEU 77 Ca 0.20 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3hk5 h LEU 77 Cb 0.25 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3hk5 h LEU 77 CO -0.01 0.16 0.31 0.40 -0.34 0.00 0.00 178.44 178.96 3hk5 h ILE 78 N -0.09 1.20 -0.20 4.05 2.04 -1.06 0.12 117.51 123.58 3hk5 h ILE 78 Ca 0.01 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 3hk5 h ILE 78 Cb 0.14 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3hk5 h ILE 78 CO -0.00 0.24 -0.01 -0.25 0.00 0.00 0.00 178.15 178.13 3hk5 h TRP 79 N 0.88 0.38 -0.00 1.37 2.91 -1.02 -0.65 115.95 119.83 3hk5 h TRP 79 Ca 0.22 -0.07 -0.00 0.00 1.13 0.00 0.00 58.89 60.17 3hk5 h TRP 79 Cb 0.08 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 28.63 3hk5 h TRP 79 CO 0.01 0.55 0.00 1.49 -1.03 0.00 0.00 178.44 179.46 3hk5 h GLU 80 N 0.10 0.00 -0.30 2.65 4.57 -0.87 -0.38 114.58 120.35 3hk5 h GLU 80 Ca 0.05 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 3hk5 h GLU 80 Cb 0.40 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3hk5 h GLU 80 CO 0.01 0.17 -0.13 0.93 -1.18 0.00 0.00 179.01 178.81 3hk5 h GLU 81 N -0.16 0.61 0.00 1.92 4.39 -0.78 0.99 114.58 121.55 3hk5 h GLU 81 Ca 0.00 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.44 3hk5 h GLU 81 Cb 0.17 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3hk5 h GLU 81 CO -0.00 0.84 -1.51 1.28 -1.16 0.00 0.00 179.01 178.45 3hk5 n LEU 82 N -4.42 0.40 -0.04 1.33 4.77 -0.25 -3.81 117.00 114.98 3hk5 n LEU 82 Ca -0.03 -0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 55.82 3hk5 n LEU 82 Cb 0.36 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.38 3hk5 n LEU 82 CO 0.42 0.04 -0.78 0.49 -1.33 0.00 0.00 177.39 176.23 3hk5 n PHE 83 N -2.08 0.00 -0.12 -1.77 3.72 -0.21 -3.25 117.46 113.75 3hk5 n PHE 83 Ca -0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.14 3hk5 n PHE 83 Cb 0.49 -0.37 -0.11 0.00 -0.94 0.00 0.00 39.48 38.56 3hk5 n PHE 83 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hk5 n ILE 84 N -2.52 1.54 0.20 4.37 2.08 -0.86 -4.35 119.36 119.82 3hk5 n ILE 84 Ca -0.14 -0.20 0.07 0.00 0.56 0.00 0.00 62.75 63.04 3hk5 n ILE 84 Cb 0.71 -1.96 0.40 0.00 -0.75 0.00 0.00 39.64 38.05 3hk5 n ILE 84 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3hk5 h LYS 85 N -0.97 0.00 -3.77 0.38 1.57 -0.96 -3.44 116.57 109.38 3hk5 h LYS 85 Ca -0.51 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.12 3hk5 h LYS 85 Cb 1.46 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.57 3hk5 h LYS 85 CO -0.30 0.32 -0.58 1.03 -0.57 0.00 0.00 179.45 179.35 3hk5 s ARG 86 N -3.72 0.45 0.24 3.15 3.00 -1.25 -5.06 118.95 115.77 3hk5 s ARG 86 Ca -0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 55.73 54.83 3hk5 s ARG 86 Cb 0.11 0.18 -0.10 0.00 0.00 0.00 0.00 34.95 35.14 3hk5 s ARG 86 CO 0.67 -0.10 1.40 -1.12 0.00 0.00 0.00 175.30 176.15 3hk5 s SER 87 N -1.65 6.72 -1.06 0.23 0.01 -1.26 -3.59 113.70 113.09 3hk5 s SER 87 Ca -0.12 2.61 -0.11 0.00 1.31 0.00 0.00 55.95 59.64 3hk5 s SER 87 Cb -0.06 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.47 3hk5 s SER 87 CO -0.01 -0.65 2.23 -0.81 0.41 0.00 0.00 173.24 174.42 3hk5 n PRO 88 N 2.28 2.32 0.14 12.44 -0.04 -1.20 -4.63 135.00 146.31 3hk5 n PRO 88 Ca 0.06 -1.77 0.12 0.00 -0.04 0.00 0.00 63.50 61.87 3hk5 n PRO 88 Cb 0.41 -2.68 0.15 0.00 -0.04 0.00 0.00 33.50 31.34 3hk5 n PRO 88 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3hk5 h VAL 89 N 3.62 0.00 -4.24 0.52 -1.51 -1.89 -3.28 116.25 109.47 3hk5 h VAL 89 Ca 0.56 -0.84 -0.51 0.00 -1.23 0.00 0.00 66.70 64.67 3hk5 h VAL 89 Cb 0.33 1.62 0.18 0.00 -2.13 0.00 0.00 31.29 31.28 3hk5 h VAL 89 CO 1.65 0.00 0.24 -0.94 -1.23 0.00 0.00 177.57 177.29 3hk5 s SER 90 N -5.38 3.27 0.20 4.19 1.04 -1.26 -4.72 113.70 111.04 3hk5 s SER 90 Ca 0.05 2.05 -0.11 0.00 0.48 0.00 0.00 55.95 58.42 3hk5 s SER 90 Cb 0.09 -2.53 0.17 0.00 0.10 0.00 0.00 66.02 63.84 3hk5 s SER 90 CO 0.70 -2.86 1.84 -0.08 0.98 0.00 0.00 173.24 173.83 3hk5 h GLU 91 N -1.70 0.78 -0.59 4.02 4.57 -1.97 0.26 114.58 119.95 3hk5 h GLU 91 Ca -0.44 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 57.59 3hk5 h GLU 91 Cb 1.26 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 3hk5 h GLU 91 CO 0.45 0.52 -0.01 0.00 -1.18 0.00 0.00 179.01 178.78 3hk5 h ALA 92 N 1.28 0.80 -0.40 2.92 0.00 -1.95 -0.43 119.26 121.49 3hk5 h ALA 92 Ca 0.26 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3hk5 h ALA 92 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hk5 h ALA 92 CO -0.10 0.65 -0.35 0.00 0.00 0.00 0.00 179.25 179.45 3hk5 h ARG 94 N 0.76 1.30 -0.81 0.00 2.43 -0.77 -2.30 114.38 114.99 3hk5 h ARG 94 Ca 0.07 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3hk5 h ARG 94 Cb 0.94 -0.29 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 3hk5 h ARG 94 CO 0.09 0.86 0.52 0.78 -1.51 0.00 0.00 179.97 180.71 3hk5 h GLY 95 N 1.34 1.18 0.84 2.80 0.00 -0.69 -1.55 103.07 106.99 3hk5 h GLY 95 Ca 0.37 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.33 3hk5 h GLY 95 CO -0.09 0.33 0.07 -2.08 0.00 0.00 0.00 176.54 174.77 3hk5 h VAL 96 N 1.00 0.95 -0.90 4.60 2.07 -1.08 -1.50 116.25 121.39 3hk5 h VAL 96 Ca 0.33 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.80 3hk5 h VAL 96 Cb 0.03 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3hk5 h VAL 96 CO -0.12 0.03 0.59 -0.07 0.02 0.00 0.00 177.57 178.02 3hk5 h LEU 97 N 0.17 1.04 -0.99 2.57 3.38 -1.30 -1.70 115.31 118.47 3hk5 h LEU 97 Ca 0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hk5 h LEU 97 Cb 0.06 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3hk5 h LEU 97 CO -0.09 0.76 0.55 0.74 0.09 0.00 0.00 178.44 180.49 3hk5 h THR 98 N 1.22 1.25 -0.49 0.22 2.02 -0.82 -1.40 112.91 114.92 3hk5 h THR 98 Ca 0.33 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 3hk5 h THR 98 Cb -0.13 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.21 3hk5 h THR 98 CO -0.07 0.27 0.12 0.00 0.37 0.00 0.00 175.52 176.20 3hk5 h LEU 100 N 0.67 -0.94 -0.79 0.00 3.38 -0.81 -1.65 115.31 115.17 3hk5 h LEU 100 Ca 0.15 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.27 3hk5 h LEU 100 Cb 0.33 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 3hk5 h LEU 100 CO 0.00 -0.63 0.43 -0.61 0.09 0.00 0.00 178.44 177.72 3hk5 h GLN 101 N -1.02 0.68 -0.31 1.13 4.15 -1.26 -0.76 115.11 117.71 3hk5 h GLN 101 Ca -0.10 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 3hk5 h GLN 101 Cb 0.80 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.32 3hk5 h GLN 101 CO 0.13 0.45 0.15 0.78 -1.93 0.00 0.00 178.83 178.41 3hk5 h GLY 102 N 0.70 0.46 1.39 2.39 0.00 -0.98 -0.47 103.07 106.55 3hk5 h GLY 102 Ca 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3hk5 h GLY 102 CO -0.27 0.19 -0.00 1.04 0.00 0.00 0.00 176.54 177.49 3hk5 n LEU 103 N -4.43 0.02 0.00 3.11 4.77 -0.40 -4.88 117.00 115.20 3hk5 n LEU 103 Ca 0.02 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3hk5 n LEU 103 Cb 0.11 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3hk5 n LEU 103 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3hk5 n GLY 104 N 1.21 0.50 3.84 -0.72 0.00 -0.19 -5.07 105.19 104.76 3hk5 n GLY 104 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3hk5 n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hk5 s LEU 105 N 0.00 2.86 -0.38 0.99 1.43 -0.58 -4.96 118.68 118.04 3hk5 s LEU 105 Ca 0.00 1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 54.39 3hk5 s LEU 105 Cb 0.00 -4.08 0.10 0.00 0.03 0.00 0.00 46.19 42.24 3hk5 s LEU 105 CO 0.00 -1.53 0.15 -0.62 0.23 0.00 0.00 176.35 174.57 3hk5 s ASP 106 N -4.08 5.11 0.67 2.29 2.15 -1.26 -3.74 116.67 117.81 3hk5 s ASP 106 Ca 0.59 -1.96 0.39 0.00 0.43 0.00 0.00 52.55 52.00 3hk5 s ASP 106 Cb -0.13 -1.77 2.15 0.00 -0.30 0.00 0.00 42.92 42.87 3hk5 s ASP 106 CO 0.53 -0.48 2.22 -0.65 -0.17 0.00 0.00 175.17 176.63 3hk5 h PRO 107 N 7.96 0.00 -0.41 4.34 0.11 -1.92 -2.09 132.00 139.99 3hk5 h PRO 107 Ca -0.12 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.95 3hk5 h PRO 107 Cb 1.04 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3hk5 h PRO 107 CO 0.64 0.00 0.11 0.00 -0.21 0.00 0.00 178.00 178.54 3hk5 h ALA 108 N 1.77 1.43 0.00 -0.75 0.00 -2.01 -2.58 119.26 117.12 3hk5 h ALA 108 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3hk5 h ALA 108 Cb 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hk5 h ALA 108 CO -0.00 0.42 -0.05 1.79 0.00 0.00 0.00 179.25 181.41 3hk5 h THR 109 N 0.59 0.08 -3.02 0.00 1.35 -1.82 -3.46 112.91 106.63 3hk5 h THR 109 Ca 0.14 -1.03 -0.28 0.00 -0.55 0.00 0.00 66.41 64.68 3hk5 h THR 109 Cb 0.21 1.96 -0.04 0.00 -1.73 0.00 0.00 68.15 68.55 3hk5 h THR 109 CO -0.01 0.04 -0.33 0.54 -0.25 0.00 0.00 175.52 175.52 3hk5 n ARG 110 N -3.12 -1.89 -3.01 4.72 1.74 -0.97 -4.88 116.66 109.25 3hk5 n ARG 110 Ca 0.03 0.71 -0.45 0.00 -0.77 0.00 0.00 57.85 57.38 3hk5 n ARG 110 Cb 0.51 -5.23 -0.02 0.00 -1.02 0.00 0.00 32.46 26.70 3hk5 n ARG 110 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hk5 s ASP 111 N -2.07 6.66 0.37 0.55 -1.08 -1.26 -4.88 116.67 114.96 3hk5 s ASP 111 Ca 0.00 -2.20 0.04 0.00 -0.52 0.00 0.00 52.55 49.88 3hk5 s ASP 111 Cb 0.00 -2.36 0.70 0.00 -1.46 0.00 0.00 42.92 39.80 3hk5 s ASP 111 CO 0.00 -0.95 1.99 0.25 0.52 0.00 0.00 175.17 176.98 3hk5 h LEU 112 N 9.83 0.58 -0.72 -1.34 5.85 -1.99 -1.91 115.31 125.62 3hk5 h LEU 112 Ca 0.15 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 3hk5 h LEU 112 Cb 1.03 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 3hk5 h LEU 112 CO 1.03 0.48 0.16 1.56 -0.34 0.00 0.00 178.44 181.33 3hk5 h GLN 113 N 0.66 1.14 -0.48 1.25 1.08 -2.00 -1.07 115.11 115.68 3hk5 h GLN 113 Ca 0.17 -0.28 -0.11 0.00 -1.45 0.00 0.00 58.65 56.97 3hk5 h GLN 113 Cb 0.03 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 3hk5 h GLN 113 CO -0.03 1.01 -0.14 0.28 -0.95 0.00 0.00 178.83 179.00 3hk5 h VAL 114 N 1.07 1.27 -0.71 -0.54 2.07 -1.85 -2.80 116.25 114.76 3hk5 h VAL 114 Ca 0.22 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 3hk5 h VAL 114 Cb 0.39 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3hk5 h VAL 114 CO 0.00 0.45 0.44 1.88 0.02 0.00 0.00 177.57 180.36 3hk5 h TYR 115 N 0.81 0.93 -0.58 1.57 0.05 -1.00 -2.16 116.97 116.58 3hk5 h TYR 115 Ca 0.12 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.94 3hk5 h TYR 115 Cb 0.71 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 38.11 3hk5 h TYR 115 CO 0.05 0.61 0.38 0.00 -1.05 0.00 0.00 178.16 178.16 3hk5 h ARG 116 N 0.97 0.66 -0.80 4.88 3.08 -1.05 -2.22 114.38 119.90 3hk5 h ARG 116 Ca 0.26 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.36 3hk5 h ARG 116 Cb -0.06 -0.15 -0.07 0.00 0.08 0.00 0.00 29.97 29.77 3hk5 h ARG 116 CO -0.05 0.44 0.46 0.93 -1.07 0.00 0.00 179.97 180.67 3hk5 h GLU 117 N 0.68 0.76 -0.75 0.04 4.39 -1.12 -2.33 114.58 116.24 3hk5 h GLU 117 Ca 0.23 -0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.99 3hk5 h GLU 117 Cb 0.07 -0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 28.48 3hk5 h GLU 117 CO -0.06 0.50 0.38 -0.92 -1.16 0.00 0.00 179.01 177.74 3hk5 h TYR 118 N 0.78 0.67 0.07 4.33 3.20 -1.41 -3.04 116.97 121.57 3hk5 h TYR 118 Ca 0.38 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 62.03 3hk5 h TYR 118 Cb 0.33 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3hk5 h TYR 118 CO -0.06 0.22 -1.10 0.74 -1.64 0.00 0.00 178.16 176.32 3hk5 h PHE 119 N 0.62 0.56 0.00 -3.82 0.04 -1.51 -3.33 116.94 109.50 3hk5 h PHE 119 Ca 0.38 -0.35 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3hk5 h PHE 119 Cb 0.43 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.53 3hk5 h PHE 119 CO -0.10 1.22 0.00 0.00 -0.60 0.00 0.00 178.31 178.83 3hk5 n ALA 120 N -2.54 1.41 -0.46 2.45 0.00 -0.96 -2.67 120.51 117.74 3hk5 n ALA 120 Ca -0.08 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.54 3hk5 n ALA 120 Cb 0.93 -1.31 0.27 0.00 0.00 0.00 0.00 19.45 19.33 3hk5 n ALA 120 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3hk5 n LYS 121 N -2.08 3.12 -4.52 0.00 2.85 -1.23 -4.99 118.16 111.31 3hk5 n LYS 121 Ca 0.01 -2.54 -0.25 0.00 -1.05 0.00 0.00 58.31 54.48 3hk5 n LYS 121 Cb 0.14 -1.60 -0.10 0.00 -0.65 0.00 0.00 35.03 32.82 3hk5 n LYS 121 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3hk5 s LYS 122 N -1.50 1.75 0.33 -1.58 1.02 -1.09 -5.15 119.74 113.52 3hk5 s LYS 122 Ca 0.40 -1.90 0.07 0.00 0.02 0.00 0.00 55.97 54.55 3hk5 s LYS 122 Cb 0.24 -1.56 -0.03 0.00 -0.52 0.00 0.00 37.83 35.96 3hk5 s LYS 122 CO 0.21 0.11 0.30 0.95 -0.92 0.00 0.00 175.35 176.00 3hk5 s THR 123 N -2.72 3.68 0.13 2.17 -4.23 -1.26 -4.97 115.64 108.44 3hk5 s THR 123 Ca 0.32 -1.34 -0.23 0.00 -1.18 0.00 0.00 61.69 59.25 3hk5 s THR 123 Cb 0.03 -3.23 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 3hk5 s THR 123 CO 0.15 -0.19 1.65 0.28 -0.54 0.00 0.00 174.62 175.98 3hk5 h SER 124 N 1.25 -0.58 -0.88 3.99 0.02 -1.98 -0.37 113.55 115.00 3hk5 h SER 124 Ca -0.45 0.09 0.12 0.00 -0.84 0.00 0.00 61.79 60.72 3hk5 h SER 124 Cb 1.25 0.26 -0.08 0.00 0.14 0.00 0.00 62.40 63.97 3hk5 h SER 124 CO 0.58 -0.25 0.49 -0.33 -1.14 0.00 0.00 176.83 176.19 3hk5 h GLU 125 N -0.27 0.74 -0.19 3.45 3.07 -1.96 0.41 114.58 119.83 3hk5 h GLU 125 Ca 0.08 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.86 3hk5 h GLU 125 Cb 0.39 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 3hk5 h GLU 125 CO -0.24 0.49 -0.05 0.93 -1.40 0.00 0.00 179.01 178.74 3hk5 h GLU 126 N 0.76 0.37 -0.20 2.33 5.08 -1.75 -2.06 114.58 119.11 3hk5 h GLU 126 Ca 0.45 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.60 3hk5 h GLU 126 Cb 0.53 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3hk5 h GLU 126 CO -0.30 0.63 -0.16 0.37 -1.00 0.00 0.00 179.01 178.55 3hk5 h GLN 127 N 0.09 0.33 -0.18 2.33 5.75 -0.54 -0.62 115.11 122.27 3hk5 h GLN 127 Ca 0.05 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3hk5 h GLN 127 Cb 0.49 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 3hk5 h GLN 127 CO 0.02 0.49 0.03 0.28 -2.65 0.00 0.00 178.83 177.00 3hk5 h VAL 128 N 0.31 1.22 -0.53 2.39 2.07 -0.81 0.11 116.25 121.01 3hk5 h VAL 128 Ca 0.06 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 66.90 3hk5 h VAL 128 Cb 0.46 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3hk5 h VAL 128 CO 0.03 0.22 0.29 0.44 0.02 0.00 0.00 177.57 178.57 3hk5 h ASP 129 N 0.08 0.45 0.37 0.57 3.32 -0.95 -1.26 116.42 119.00 3hk5 h ASP 129 Ca 0.05 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3hk5 h ASP 129 Cb 0.30 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3hk5 h ASP 129 CO 0.00 0.31 -0.18 0.74 -1.72 0.00 0.00 179.24 178.39 3hk5 h THR 130 N 0.57 0.64 -0.18 0.35 2.02 -0.83 -2.51 112.91 112.96 3hk5 h THR 130 Ca 0.22 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 3hk5 h THR 130 Cb 0.09 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3hk5 h THR 130 CO -0.13 0.00 0.07 0.58 0.37 0.00 0.00 175.52 176.41 3hk5 h VAL 131 N -0.50 1.16 -0.02 3.16 2.07 -0.60 -0.84 116.25 120.68 3hk5 h VAL 131 Ca -0.05 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3hk5 h VAL 131 Cb 0.38 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3hk5 h VAL 131 CO 0.08 0.15 -0.11 -0.07 0.02 0.00 0.00 177.57 177.65 3hk5 h LEU 132 N 0.14 0.03 -0.02 2.57 3.38 -1.29 0.45 115.31 120.58 3hk5 h LEU 132 Ca 0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hk5 h LEU 132 Cb 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hk5 h LEU 132 CO -0.00 0.15 -0.03 -0.61 0.09 0.00 0.00 178.44 178.04 3hk5 h GLN 133 N 0.03 0.05 -0.38 1.13 -0.00 -1.17 0.65 115.11 115.42 3hk5 h GLN 133 Ca 0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 3hk5 h GLN 133 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.68 3hk5 h GLN 133 CO 0.01 0.58 0.21 -0.07 0.00 0.00 0.00 178.83 179.57 3hk5 h LEU 134 N -0.49 0.47 0.00 -2.39 3.38 -0.50 -2.46 115.31 113.33 3hk5 h LEU 134 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hk5 h LEU 134 Cb 0.58 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3hk5 h LEU 134 CO 0.01 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.96 3hk5 n ALA 135 N -2.24 2.34 -3.72 1.53 0.00 0.15 -4.91 120.51 113.65 3hk5 n ALA 135 Ca -0.00 -0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 3hk5 n ALA 135 Cb 0.08 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.10 3hk5 n ALA 135 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hk5 n ASN 136 N -1.42 -2.33 -4.43 0.00 5.15 0.10 -4.79 115.26 107.54 3hk5 n ASN 136 Ca 0.09 -0.78 -0.37 0.00 -0.60 0.00 0.00 54.58 52.92 3hk5 n ASN 136 Cb 0.29 -4.15 -0.12 0.00 -0.53 0.00 0.00 39.78 35.27 3hk5 n ASN 136 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hk5 s VAL 137 N -3.54 4.41 -0.00 3.44 1.01 -0.49 -0.54 120.40 124.68 3hk5 s VAL 137 Ca 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 3hk5 s VAL 137 Cb -0.09 -3.17 -0.27 0.00 0.00 0.00 0.00 36.38 32.85 3hk5 s VAL 137 CO 0.81 0.18 0.82 0.77 0.00 0.00 0.00 175.10 177.68 3hk5 h SER 138 N 8.29 0.33 -3.76 3.32 4.64 -1.06 -3.45 113.55 121.86 3hk5 h SER 138 Ca -0.35 -0.49 -0.34 0.00 -0.47 0.00 0.00 61.79 60.15 3hk5 h SER 138 Cb 1.16 -0.11 -0.30 0.00 -0.31 0.00 0.00 62.40 62.84 3hk5 h SER 138 CO 0.60 1.41 -0.75 -1.81 -0.87 0.00 0.00 176.83 175.40 3hk5 s ASP 139 N -6.88 0.59 -0.12 4.97 1.01 -1.08 -4.76 116.67 110.40 3hk5 s ASP 139 Ca -0.09 -0.08 0.03 0.00 0.71 0.00 0.00 52.55 53.12 3hk5 s ASP 139 Cb 0.07 -0.15 0.00 0.00 1.01 0.00 0.00 42.92 43.85 3hk5 s ASP 139 CO 0.84 0.02 -0.22 -0.69 0.21 0.00 0.00 175.17 175.33 3hk5 s VAL 140 N 0.23 2.20 -0.25 -1.27 1.01 0.41 -0.43 120.40 122.29 3hk5 s VAL 140 Ca -0.02 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 3hk5 s VAL 140 Cb -0.06 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 3hk5 s VAL 140 CO -0.00 0.55 0.22 -0.69 0.00 0.00 0.00 175.10 175.18 3hk5 s VAL 141 N 0.52 5.30 0.77 2.92 1.01 -0.20 -0.11 120.40 130.60 3hk5 s VAL 141 Ca -0.14 0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 3hk5 s VAL 141 Cb -0.17 -3.56 0.10 0.00 0.00 0.00 0.00 36.38 32.76 3hk5 s VAL 141 CO 0.05 0.28 1.08 -0.04 0.00 0.00 0.00 175.10 176.47 3hk5 s MET 142 N 1.43 1.75 -0.26 2.72 -1.94 0.21 -1.54 119.30 121.68 3hk5 s MET 142 Ca 0.10 -0.43 0.03 0.00 -1.71 0.00 0.00 55.69 53.67 3hk5 s MET 142 Cb -0.15 -2.12 0.06 0.00 2.01 0.00 0.00 34.83 34.63 3hk5 s MET 142 CO 0.08 -1.55 -0.09 0.99 -0.01 0.00 0.00 175.02 174.43 3hk5 s THR 143 N -3.38 2.06 -0.31 2.05 2.01 -1.15 -3.49 115.64 113.43 3hk5 s THR 143 Ca 0.64 -1.60 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 3hk5 s THR 143 Cb -0.08 -2.21 0.06 0.00 0.01 0.00 0.00 72.50 70.27 3hk5 s THR 143 CO 0.47 -0.06 0.03 0.20 -0.69 0.00 0.00 174.62 174.56 3hk5 s ASN 144 N 1.14 4.94 -0.51 3.53 0.01 -0.10 -4.95 114.94 119.00 3hk5 s ASN 144 Ca -0.08 -1.38 -0.17 0.00 -0.71 0.00 0.00 52.86 50.52 3hk5 s ASN 144 Cb -0.20 -1.73 0.08 0.00 0.41 0.00 0.00 41.25 39.82 3hk5 s ASN 144 CO -0.05 -0.30 0.52 -0.62 -1.51 0.00 0.00 177.10 175.14 3hk5 s ASP 145 N 1.31 6.18 0.00 -1.22 -1.08 -1.26 -1.68 116.67 118.92 3hk5 s ASP 145 Ca -0.03 -1.32 0.07 0.00 -0.52 0.00 0.00 52.55 50.74 3hk5 s ASP 145 Cb -0.20 -2.23 0.33 0.00 -1.46 0.00 0.00 42.92 39.36 3hk5 s ASP 145 CO -0.01 -0.82 1.08 -0.81 0.52 0.00 0.00 175.17 175.13 3hk5 n PRO 146 N 5.63 0.09 0.00 4.34 -0.04 -1.26 -1.47 135.00 142.28 3hk5 n PRO 146 Ca -0.11 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 3hk5 n PRO 146 Cb 0.43 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.67 3hk5 n PRO 146 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hk5 n PHE 147 N -1.31 0.00 -3.26 0.54 3.72 -1.26 -4.68 117.46 111.21 3hk5 n PHE 147 Ca 0.03 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.04 3hk5 n PHE 147 Cb 0.06 -0.10 -0.07 0.00 -0.94 0.00 0.00 39.48 38.42 3hk5 n PHE 147 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3hk5 s ASP 148 N -2.55 6.55 0.16 4.37 2.15 -0.54 -4.98 116.67 121.82 3hk5 s ASP 148 Ca 0.22 0.65 -0.17 0.00 0.43 0.00 0.00 52.55 53.68 3hk5 s ASP 148 Cb 0.19 -2.29 0.09 0.00 -0.30 0.00 0.00 42.92 40.62 3hk5 s ASP 148 CO 0.55 -0.17 1.68 0.44 -0.17 0.00 0.00 175.17 177.50 3hk5 h ASP 149 N 7.47 -0.29 -0.22 -0.34 3.32 -1.88 0.20 116.42 124.68 3hk5 h ASP 149 Ca -0.34 0.11 0.02 0.00 0.02 0.00 0.00 57.03 56.84 3hk5 h ASP 149 Cb 1.15 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.89 3hk5 h ASP 149 CO 0.74 -0.10 0.08 0.78 -1.72 0.00 0.00 179.24 179.01 3hk5 h ASN 150 N 0.04 0.09 -0.37 6.45 2.35 -1.95 -3.04 115.58 119.13 3hk5 h ASN 150 Ca 0.19 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.88 3hk5 h ASN 150 Cb 0.28 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3hk5 h ASN 150 CO -0.37 0.08 -0.10 -0.33 -1.65 0.00 0.00 177.43 175.06 3hk5 h GLU 151 N 0.18 0.73 -0.91 0.81 5.08 -1.78 -3.02 114.58 115.67 3hk5 h GLU 151 Ca 0.10 -0.28 0.24 0.00 -1.00 0.00 0.00 59.36 58.42 3hk5 h GLU 151 Cb 0.06 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 3hk5 h GLU 151 CO -0.10 0.88 0.63 0.00 -1.00 0.00 0.00 179.01 179.42 3hk5 h ARG 152 N 0.53 0.16 0.38 2.33 3.08 -0.86 -2.95 114.38 117.05 3hk5 h ARG 152 Ca 0.09 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 3hk5 h ARG 152 Cb 0.62 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 3hk5 h ARG 152 CO 0.04 0.11 -0.48 0.82 -1.07 0.00 0.00 179.97 179.39 3hk5 h ILE 153 N 0.17 0.06 -0.79 2.04 2.04 -1.43 -0.42 117.51 119.18 3hk5 h ILE 153 Ca 0.46 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.36 3hk5 h ILE 153 Cb 1.52 0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 3hk5 h ILE 153 CO -0.09 0.00 0.49 0.77 0.00 0.00 0.00 178.15 179.32 3hk5 h SER 154 N -0.90 0.79 -0.43 1.72 4.64 -1.68 0.25 113.55 117.94 3hk5 h SER 154 Ca -0.04 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 3hk5 h SER 154 Cb 0.81 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 3hk5 h SER 154 CO -0.12 0.53 0.15 -0.50 -0.87 0.00 0.00 176.83 176.02 3hk5 h TRP 155 N 0.93 0.69 0.00 4.77 4.06 -1.58 -0.76 115.95 124.06 3hk5 h TRP 155 Ca 0.33 -0.06 -0.08 0.00 2.06 0.00 0.00 58.89 61.13 3hk5 h TRP 155 Cb 0.09 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 3hk5 h TRP 155 CO -0.04 0.62 -0.40 -0.07 -3.56 0.00 0.00 178.44 174.99 3hk5 h LEU 156 N 0.56 0.00 0.00 -4.49 3.38 -0.63 -2.14 115.31 111.99 3hk5 h LEU 156 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hk5 h LEU 156 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hk5 h LEU 156 CO -0.01 0.40 0.00 -0.62 0.09 0.00 0.00 178.44 178.30 3hk5 n GLU 157 N -3.76 0.15 -0.63 1.13 1.02 0.04 -4.88 120.64 113.71 3hk5 n GLU 157 Ca -0.01 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3hk5 n GLU 157 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 3hk5 n GLU 157 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hk5 n GLY 158 N 0.85 0.68 3.71 0.62 0.00 -0.80 -5.02 105.19 105.23 3hk5 n GLY 158 Ca 0.08 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3hk5 n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hk5 s LYS 159 N -0.37 4.29 -0.10 1.61 1.02 -0.32 -5.01 119.74 120.86 3hk5 s LYS 159 Ca 0.00 2.16 -0.05 0.00 0.02 0.00 0.00 55.97 58.10 3hk5 s LYS 159 Cb 0.00 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 3hk5 s LYS 159 CO 0.00 -0.50 0.11 -0.65 -0.92 0.00 0.00 175.35 173.39 3hk5 s GLN 160 N 1.18 3.31 0.72 1.68 -1.52 -1.26 -4.60 119.66 119.17 3hk5 s GLN 160 Ca 0.66 -0.23 -0.11 0.00 -1.95 0.00 0.00 55.36 53.73 3hk5 s GLN 160 Cb -0.39 -3.07 0.02 0.00 -0.22 0.00 0.00 33.01 29.35 3hk5 s GLN 160 CO 0.30 0.75 1.07 -1.25 -0.25 0.00 0.00 175.29 175.91 3hk5 s PRO 161 N -1.12 2.77 0.58 2.91 0.04 -1.26 -4.98 135.00 133.93 3hk5 s PRO 161 Ca 0.16 0.78 -0.19 0.00 0.04 0.00 0.00 61.00 61.80 3hk5 s PRO 161 Cb -0.12 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 3hk5 s PRO 161 CO 0.05 -1.17 0.85 -3.47 0.04 0.00 0.00 177.00 173.30 3hk5 n ASP 162 N -3.15 0.33 0.25 6.66 -0.08 -1.26 -4.85 116.55 114.45 3hk5 n ASP 162 Ca 0.07 0.81 0.17 0.00 -1.51 0.00 0.00 54.79 54.33 3hk5 n ASP 162 Cb 0.55 -1.33 0.86 0.00 2.34 0.00 0.00 41.12 43.54 3hk5 n ASP 162 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3hk5 h SER 163 N 0.51 0.00 0.46 1.67 4.64 -2.01 -0.92 113.55 117.90 3hk5 h SER 163 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3hk5 h SER 163 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3hk5 h SER 163 CO 0.50 0.00 -0.20 0.54 -0.87 0.00 0.00 176.83 176.80 3hk5 n ARG 164 N -2.75 0.46 -4.58 4.77 1.74 -1.26 -4.82 116.66 110.21 3hk5 n ARG 164 Ca -0.01 -0.19 -0.33 0.00 -0.77 0.00 0.00 57.85 56.54 3hk5 n ARG 164 Cb 0.13 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.94 3hk5 n ARG 164 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hk5 s PHE 165 N -2.67 2.91 0.06 -1.55 0.08 -0.35 -0.44 117.98 116.01 3hk5 s PHE 165 Ca 0.22 -0.51 0.07 0.00 0.12 0.00 0.00 56.93 56.83 3hk5 s PHE 165 Cb 0.19 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 3hk5 s PHE 165 CO 0.54 -0.15 -0.15 -1.01 -0.10 0.00 0.00 175.22 174.35 3hk5 s HIS 166 N 0.40 2.63 0.28 0.36 3.76 0.85 -4.65 115.29 118.91 3hk5 s HIS 166 Ca -0.07 -0.21 -0.12 0.00 -0.15 0.00 0.00 55.06 54.50 3hk5 s HIS 166 Cb -0.15 -1.45 -0.08 0.00 1.11 0.00 0.00 32.58 32.01 3hk5 s HIS 166 CO 0.04 0.32 0.64 0.00 -0.85 0.00 0.00 174.74 174.90 3hk5 s ALA 167 N -1.03 3.45 -0.05 -1.40 0.00 -1.26 0.67 121.76 122.15 3hk5 s ALA 167 Ca 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 3hk5 s ALA 167 Cb -0.11 -2.59 0.03 0.00 0.00 0.00 0.00 23.12 20.46 3hk5 s ALA 167 CO 0.08 0.40 0.08 0.00 0.00 0.00 0.00 175.76 176.31 3hk5 s ALA 168 N -1.93 0.11 -0.68 0.00 0.00 -1.23 -0.73 121.76 117.30 3hk5 s ALA 168 Ca 0.50 0.30 -0.27 0.00 0.00 0.00 0.00 51.96 52.50 3hk5 s ALA 168 Cb -0.11 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.45 3hk5 s ALA 168 CO 0.20 -0.42 1.31 -1.17 0.00 0.00 0.00 175.76 175.68 3hk5 s LEU 169 N 1.95 3.26 0.00 0.00 2.96 -0.78 -0.92 118.68 125.15 3hk5 s LEU 169 Ca 0.02 -0.21 -0.27 0.00 -0.22 0.00 0.00 54.13 53.45 3hk5 s LEU 169 Cb -0.12 -2.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 3hk5 s LEU 169 CO -0.04 -1.78 0.86 -0.60 -1.32 0.00 0.00 176.35 173.47 3hk5 s ARG 170 N 5.62 4.53 -0.10 1.98 6.06 -0.68 -0.48 118.95 135.88 3hk5 s ARG 170 Ca 0.40 1.21 0.14 0.00 -2.50 0.00 0.00 55.73 54.98 3hk5 s ARG 170 Cb -0.08 -3.43 0.22 0.00 0.06 0.00 0.00 34.95 31.72 3hk5 s ARG 170 CO 0.19 0.08 1.10 1.28 -2.50 0.00 0.00 175.30 175.45 3hk5 n LEU 171 N 3.52 2.08 -0.25 -0.88 4.77 0.47 -4.37 117.00 122.34 3hk5 n LEU 171 Ca 0.02 -2.71 -0.02 0.00 -0.03 0.00 0.00 56.01 53.27 3hk5 n LEU 171 Cb 0.51 -0.32 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 3hk5 n LEU 171 CO 0.50 0.63 0.66 0.44 -1.33 0.00 0.00 177.39 178.29 3hk5 h ASP 172 N 0.00 -0.98 -0.76 -1.43 5.19 -1.92 -0.46 116.42 116.07 3hk5 h ASP 172 Ca 0.00 0.23 0.04 0.00 -0.62 0.00 0.00 57.03 56.68 3hk5 h ASP 172 Cb 0.95 0.54 -0.04 0.00 0.18 0.00 0.00 39.33 40.96 3hk5 h ASP 172 CO 0.00 -0.28 0.50 -0.65 -3.12 0.00 0.00 179.24 175.69 3hk5 h PRO 173 N -0.07 0.88 -0.08 3.56 0.11 -1.94 0.18 132.00 134.63 3hk5 h PRO 173 Ca 0.30 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.32 3hk5 h PRO 173 Cb 0.56 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 3hk5 h PRO 173 CO -0.75 0.58 -0.10 1.25 -0.21 0.00 0.00 178.00 178.76 3hk5 h LEU 174 N 0.90 0.24 0.15 2.35 5.85 -1.44 -2.26 115.31 121.10 3hk5 h LEU 174 Ca 0.31 -0.51 -0.29 0.00 0.84 0.00 0.00 57.88 58.22 3hk5 h LEU 174 Cb 0.08 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.05 3hk5 h LEU 174 CO -0.09 0.70 -1.36 -0.07 -0.34 0.00 0.00 178.44 177.28 3hk5 h LEU 175 N -0.22 0.49 -0.61 2.25 4.07 -1.07 -3.24 115.31 116.98 3hk5 h LEU 175 Ca 0.01 -0.56 0.00 0.00 0.08 0.00 0.00 57.88 57.41 3hk5 h LEU 175 Cb 0.64 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.22 3hk5 h LEU 175 CO 0.02 1.44 -0.61 0.59 -1.08 0.00 0.00 178.44 178.81 3hk5 n ASN 176 N -3.55 1.54 -2.78 -0.43 3.02 0.63 -3.83 115.26 109.86 3hk5 n ASN 176 Ca -0.12 -1.27 -0.00 0.00 -0.03 0.00 0.00 54.58 53.16 3hk5 n ASN 176 Cb 1.04 0.67 0.05 0.00 -0.61 0.00 0.00 39.78 40.94 3hk5 n ASN 176 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hk5 n GLU 177 N -0.56 1.65 -0.34 3.52 1.02 -0.85 -4.94 120.64 120.13 3hk5 n GLU 177 Ca 0.07 -3.29 0.05 0.00 -0.02 0.00 0.00 57.16 53.97 3hk5 n GLU 177 Cb 0.38 -1.40 0.21 0.00 -0.02 0.00 0.00 31.44 30.60 3hk5 n GLU 177 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3hk5 h TYR 178 N 2.43 1.06 -0.67 -0.32 3.20 -1.57 0.11 116.97 121.22 3hk5 h TYR 178 Ca -0.17 0.03 0.14 0.00 3.14 0.00 0.00 58.73 61.87 3hk5 h TYR 178 Cb 1.29 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 3hk5 h TYR 178 CO 0.45 0.44 0.45 0.93 -1.64 0.00 0.00 178.16 178.79 3hk5 h GLU 179 N 0.96 0.30 0.08 1.82 4.39 -1.90 0.33 114.58 120.56 3hk5 h GLU 179 Ca 0.46 -0.02 -0.36 0.00 0.34 0.00 0.00 59.36 59.77 3hk5 h GLU 179 Cb 0.40 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 3hk5 h GLU 179 CO -0.25 0.20 -2.07 1.04 -1.16 0.00 0.00 179.01 176.77 3hk5 n GLN 180 N -4.45 0.71 0.12 2.33 3.00 -0.64 -4.40 117.38 114.05 3hk5 n GLN 180 Ca 0.12 0.26 0.02 0.00 -0.01 0.00 0.00 57.00 57.39 3hk5 n GLN 180 Cb 0.51 -1.66 0.37 0.00 0.00 0.00 0.00 30.24 29.47 3hk5 n GLN 180 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 3hk5 h THR 181 N -0.07 1.19 -0.89 5.09 2.02 -0.30 -2.98 112.91 116.98 3hk5 h THR 181 Ca -0.46 -0.88 0.13 0.00 0.77 0.00 0.00 66.41 65.97 3hk5 h THR 181 Cb 1.93 1.28 -0.07 0.00 -1.74 0.00 0.00 68.15 69.56 3hk5 h THR 181 CO 0.01 0.27 0.57 0.07 0.37 0.00 0.00 175.52 176.81 3hk5 h LYS 182 N 0.21 0.73 -0.50 6.66 2.10 -0.56 -0.50 116.57 124.71 3hk5 h LYS 182 Ca 0.04 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.58 3hk5 h LYS 182 Cb 0.43 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 3hk5 h LYS 182 CO 0.03 0.48 0.05 0.45 -2.00 0.00 0.00 179.45 178.45 3hk5 h HIS 183 N 0.75 0.84 -0.21 0.07 3.86 -1.77 -1.51 115.15 117.18 3hk5 h HIS 183 Ca 0.44 -0.10 -0.16 0.00 -1.16 0.00 0.00 60.37 59.39 3hk5 h HIS 183 Cb 0.63 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 3hk5 h HIS 183 CO -0.00 0.75 -0.51 0.00 0.86 0.00 0.00 177.93 179.03 3hk5 h ARG 184 N 0.75 0.59 -0.69 2.45 3.08 -1.26 -2.07 114.38 117.24 3hk5 h ARG 184 Ca 0.15 -0.35 0.01 0.00 0.07 0.00 0.00 59.98 59.86 3hk5 h ARG 184 Cb 0.39 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 3hk5 h ARG 184 CO 0.01 0.96 0.45 -0.07 -1.07 0.00 0.00 179.97 180.26 3hk5 h LEU 185 N 0.47 0.80 -0.17 3.04 3.38 -0.74 -0.97 115.31 121.12 3hk5 h LEU 185 Ca 0.02 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hk5 h LEU 185 Cb 1.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3hk5 h LEU 185 CO 0.10 0.59 0.09 0.03 0.09 0.00 0.00 178.44 179.34 3hk5 h ARG 186 N 0.94 0.23 -0.15 1.13 3.08 -1.07 0.13 114.38 118.68 3hk5 h ARG 186 Ca 0.25 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.32 3hk5 h ARG 186 Cb -0.10 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3hk5 h ARG 186 CO -0.05 0.23 0.13 -0.44 -1.07 0.00 0.00 179.97 178.76 3hk5 h ASP 187 N 0.18 0.00 -0.05 7.04 3.32 -0.86 0.13 116.42 126.17 3hk5 h ASP 187 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3hk5 h ASP 187 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3hk5 h ASP 187 CO -0.01 0.00 0.00 0.79 -1.72 0.00 0.00 179.24 178.30 3hk5 n TRP 188 N -4.14 0.06 0.00 4.55 8.01 -0.41 -4.91 117.44 120.60 3hk5 n TRP 188 Ca 0.01 -0.03 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 3hk5 n TRP 188 Cb 0.25 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.55 3hk5 n TRP 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hk5 n GLY 189 N 1.11 0.45 3.42 6.99 0.00 0.45 -5.04 105.19 112.58 3hk5 n GLY 189 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 3hk5 n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hk5 s TYR 190 N -2.00 2.84 -0.67 1.61 2.02 0.38 -4.95 117.35 116.58 3hk5 s TYR 190 Ca 0.00 -0.68 -0.16 0.00 -0.37 0.00 0.00 57.07 55.86 3hk5 s TYR 190 Cb 0.00 -4.10 -0.13 0.00 -0.40 0.00 0.00 41.96 37.33 3hk5 s TYR 190 CO 0.00 -1.44 1.86 1.63 -1.57 0.00 0.00 175.55 176.04 3hk5 n LYS 191 N 7.01 1.40 -2.84 -0.62 5.02 -1.26 -3.15 118.16 123.72 3hk5 n LYS 191 Ca -0.06 -1.51 -0.40 0.00 -2.02 0.00 0.00 58.31 54.33 3hk5 n LYS 191 Cb 0.44 -2.64 -0.06 0.00 -0.02 0.00 0.00 35.03 32.76 3hk5 n LYS 191 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3hk5 s VAL 192 N 4.68 4.21 0.73 -0.18 -7.23 -1.26 -4.54 120.40 116.81 3hk5 s VAL 192 Ca 0.47 1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 62.55 3hk5 s VAL 192 Cb 0.12 -4.26 0.11 0.00 0.56 0.00 0.00 36.38 32.91 3hk5 s VAL 192 CO 0.08 0.50 1.01 0.20 -0.31 0.00 0.00 175.10 176.58 3hk5 s ASN 193 N -1.09 4.41 0.29 4.85 0.01 -1.26 -4.95 114.94 117.20 3hk5 s ASN 193 Ca 0.39 -0.05 0.05 0.00 -0.71 0.00 0.00 52.86 52.54 3hk5 s ASN 193 Cb -0.25 -0.41 0.46 0.00 0.41 0.00 0.00 41.25 41.46 3hk5 s ASN 193 CO 0.30 -1.82 1.72 0.44 -1.51 0.00 0.00 177.10 176.22 3hk5 h ASP 194 N -0.61 0.32 -3.00 -1.22 3.32 -2.03 -3.44 116.42 109.77 3hk5 h ASP 194 Ca -0.40 -0.12 -0.61 0.00 0.02 0.00 0.00 57.03 55.91 3hk5 h ASP 194 Cb 1.28 -0.09 -0.09 0.00 0.22 0.00 0.00 39.33 40.64 3hk5 h ASP 194 CO 0.46 0.66 -0.62 -1.83 -1.72 0.00 0.00 179.24 176.19 3hk5 s GLU 195 N -4.28 2.71 -0.93 3.56 1.03 -1.26 -5.04 118.70 114.48 3hk5 s GLU 195 Ca -0.05 -0.87 -0.24 0.00 0.03 0.00 0.00 54.97 53.83 3hk5 s GLU 195 Cb 0.14 -2.58 0.03 0.00 -0.80 0.00 0.00 34.13 30.91 3hk5 s GLU 195 CO 0.78 0.51 1.53 -0.46 -1.33 0.00 0.00 175.26 176.28 3hk5 s TRP 196 N -1.56 2.31 0.40 4.83 -0.11 -1.26 -4.67 118.94 118.88 3hk5 s TRP 196 Ca 0.29 -0.35 0.02 0.00 1.22 0.00 0.00 56.10 57.27 3hk5 s TRP 196 Cb -0.11 -4.54 -0.01 0.00 -1.50 0.00 0.00 33.47 27.32 3hk5 s TRP 196 CO 0.21 -1.95 0.07 0.27 -4.62 0.00 0.00 176.95 170.92 3hk5 n ASN 197 N 10.09 2.19 -0.33 5.86 0.23 -1.26 -4.98 115.26 127.05 3hk5 n ASN 197 Ca 0.28 -2.95 0.19 0.00 -0.53 0.00 0.00 54.58 51.58 3hk5 n ASN 197 Cb 0.50 0.62 0.44 0.00 -2.08 0.00 0.00 39.78 39.26 3hk5 n ASN 197 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3hk5 h GLU 198 N 0.00 0.51 -0.05 -3.83 4.57 -1.99 -0.59 114.58 113.20 3hk5 h GLU 198 Ca -0.33 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.82 3hk5 h GLU 198 Cb 1.10 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 3hk5 h GLU 198 CO 0.53 0.33 0.01 0.78 -1.18 0.00 0.00 179.01 179.49 3hk5 h GLY 199 N 0.52 0.08 0.99 1.92 0.00 -1.94 -0.79 103.07 103.86 3hk5 h GLY 199 Ca 0.59 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.85 3hk5 h GLY 199 CO -0.35 0.04 0.28 1.76 0.00 0.00 0.00 176.54 178.27 3hk5 h SER 200 N -0.12 0.80 0.06 0.19 0.02 -1.48 -1.73 113.55 111.28 3hk5 h SER 200 Ca 0.02 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3hk5 h SER 200 Cb 0.22 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3hk5 h SER 200 CO -0.00 0.72 -0.08 0.40 -1.14 0.00 0.00 176.83 176.72 3hk5 h ILE 201 N 0.83 0.80 -0.76 3.27 2.04 -1.05 -1.13 117.51 121.50 3hk5 h ILE 201 Ca 0.21 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.02 3hk5 h ILE 201 Cb 0.14 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3hk5 h ILE 201 CO -0.02 0.00 0.31 1.56 0.00 0.00 0.00 178.15 180.00 3hk5 h GLN 202 N -0.18 1.13 -0.09 2.37 1.08 -1.03 -1.56 115.11 116.84 3hk5 h GLN 202 Ca 0.01 -0.20 -0.12 0.00 -1.45 0.00 0.00 58.65 56.90 3hk5 h GLN 202 Cb 0.19 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 3hk5 h GLN 202 CO -0.05 0.91 -0.49 0.93 -0.95 0.00 0.00 178.83 179.19 3hk5 h GLU 203 N 1.11 0.22 -0.24 1.46 4.39 -1.12 0.06 114.58 120.45 3hk5 h GLU 203 Ca 0.26 -0.12 -0.17 0.00 0.34 0.00 0.00 59.36 59.66 3hk5 h GLU 203 Cb 0.20 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3hk5 h GLU 203 CO -0.02 0.66 -0.54 0.28 -1.16 0.00 0.00 179.01 178.23 3hk5 h VAL 204 N 0.18 1.30 -0.35 3.13 2.07 -0.92 -1.63 116.25 120.03 3hk5 h VAL 204 Ca 0.01 -1.75 -0.03 0.00 0.82 0.00 0.00 66.70 65.75 3hk5 h VAL 204 Cb 0.93 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3hk5 h VAL 204 CO 0.07 0.56 0.12 0.11 0.02 0.00 0.00 177.57 178.45 3hk5 h LYS 205 N 0.56 0.53 -0.98 1.57 1.57 -1.03 -1.61 116.57 117.18 3hk5 h LYS 205 Ca 0.01 -0.11 0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3hk5 h LYS 205 Cb 1.12 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.28 3hk5 h LYS 205 CO 0.11 0.55 0.63 -0.09 -0.57 0.00 0.00 179.45 180.08 3hk5 h ARG 206 N 0.41 1.10 -0.30 3.15 2.43 -0.87 0.24 114.38 120.53 3hk5 h ARG 206 Ca 0.11 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3hk5 h ARG 206 Cb 0.23 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3hk5 h ARG 206 CO -0.01 0.73 0.14 0.35 -1.51 0.00 0.00 179.97 179.67 3hk5 h PHE 207 N 1.13 0.43 -0.20 2.20 3.57 -0.87 0.81 116.94 124.01 3hk5 h PHE 207 Ca 0.43 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.88 3hk5 h PHE 207 Cb 0.19 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3hk5 h PHE 207 CO -0.01 0.39 0.03 -0.07 -2.23 0.00 0.00 178.31 176.43 3hk5 h LEU 208 N 0.34 0.31 -0.79 0.59 3.38 -0.50 -2.69 115.31 115.96 3hk5 h LEU 208 Ca 0.10 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3hk5 h LEU 208 Cb 0.13 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3hk5 h LEU 208 CO -0.01 0.49 0.50 0.74 0.09 0.00 0.00 178.44 180.25 3hk5 h THR 209 N 0.12 1.12 -0.56 0.22 2.02 -0.43 -0.40 112.91 115.00 3hk5 h THR 209 Ca 0.06 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 3hk5 h THR 209 Cb 0.31 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 3hk5 h THR 209 CO 0.00 0.18 0.33 0.44 0.37 0.00 0.00 175.52 176.85 3hk5 h ASP 210 N 0.98 0.67 0.73 4.18 3.32 -0.73 -0.66 116.42 124.90 3hk5 h ASP 210 Ca 0.31 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.18 3hk5 h ASP 210 Cb 0.00 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3hk5 h ASP 210 CO -0.11 0.53 -0.61 -0.50 -1.72 0.00 0.00 179.24 176.84 3hk5 h TRP 211 N 0.75 0.00 -0.54 4.55 4.06 -1.12 -0.92 115.95 122.72 3hk5 h TRP 211 Ca 0.20 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.07 3hk5 h TRP 211 Cb -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.13 3hk5 h TRP 211 CO -0.02 0.61 0.04 0.82 -3.56 0.00 0.00 178.44 176.32 3hk5 h ILE 212 N 0.00 1.26 -0.64 1.49 2.04 -0.77 0.25 117.51 121.14 3hk5 h ILE 212 Ca -0.01 -1.05 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 3hk5 h ILE 212 Cb 1.13 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3hk5 h ILE 212 CO 0.08 0.38 0.15 -0.08 0.00 0.00 0.00 178.15 178.67 3hk5 h GLU 213 N 0.82 1.03 -0.02 2.37 4.81 -0.85 0.50 114.58 123.25 3hk5 h GLU 213 Ca 0.16 -0.25 -0.26 0.00 -0.13 0.00 0.00 59.36 58.87 3hk5 h GLU 213 Cb 0.48 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.75 3hk5 h GLU 213 CO 0.02 0.93 -1.02 -0.09 -0.73 0.00 0.00 179.01 178.13 3hk5 h ARG 214 N 0.95 0.71 0.00 1.92 2.43 -0.90 -3.37 114.38 116.12 3hk5 h ARG 214 Ca 0.20 -0.74 -0.30 0.00 -0.81 0.00 0.00 59.98 58.33 3hk5 h ARG 214 Cb 0.37 0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 3hk5 h ARG 214 CO 0.00 1.32 -1.91 -1.33 -1.51 0.00 0.00 179.97 176.54 3hk5 n MET 215 N -3.86 0.65 -3.57 0.20 2.81 0.86 -5.01 117.12 109.21 3hk5 n MET 215 Ca -0.11 0.17 -0.25 0.00 -1.81 0.00 0.00 57.70 55.71 3hk5 n MET 215 Cb 0.87 -1.70 0.05 0.00 -0.71 0.00 0.00 33.22 31.73 3hk5 n MET 215 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3hk5 n ASP 216 N -2.91 -4.95 -4.78 7.83 2.03 0.18 -4.62 116.55 109.33 3hk5 n ASP 216 Ca -0.21 -0.90 -0.36 0.00 0.52 0.00 0.00 54.79 53.84 3hk5 n ASP 216 Cb 1.05 -4.00 -0.00 0.00 -0.72 0.00 0.00 41.12 37.44 3hk5 n ASP 216 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3hk5 s PRO 217 N -5.54 3.52 0.47 -0.67 0.04 -1.26 -4.60 135.00 126.96 3hk5 s PRO 217 Ca 0.39 1.63 0.26 0.00 0.04 0.00 0.00 61.00 63.32 3hk5 s PRO 217 Cb -0.11 -2.13 0.63 0.00 0.04 0.00 0.00 34.50 32.94 3hk5 s PRO 217 CO 0.82 -0.72 1.72 -0.39 0.04 0.00 0.00 177.00 178.47 3hk5 h VAL 218 N 1.43 0.02 -1.86 -0.36 -1.51 -1.29 -3.47 116.25 109.21 3hk5 h VAL 218 Ca -0.50 -0.88 0.20 0.00 -1.23 0.00 0.00 66.70 64.28 3hk5 h VAL 218 Cb 1.25 1.87 -0.16 0.00 -2.13 0.00 0.00 31.29 32.12 3hk5 h VAL 218 CO 0.58 0.01 0.66 -0.72 -1.23 0.00 0.00 177.57 176.87 3hk5 s TYR 219 N -3.34 -0.21 -0.08 5.19 -0.85 -1.26 -4.27 117.35 112.53 3hk5 s TYR 219 Ca 0.05 0.10 -0.04 0.00 -0.52 0.00 0.00 57.07 56.66 3hk5 s TYR 219 Cb 0.06 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.90 3hk5 s TYR 219 CO 0.63 -0.39 0.10 -1.64 -1.52 0.00 0.00 175.55 172.73 3hk5 s MET 220 N -2.77 3.26 0.09 -3.49 -1.94 -0.85 -1.87 119.30 111.75 3hk5 s MET 220 Ca 0.08 -0.28 0.01 0.00 -1.71 0.00 0.00 55.69 53.80 3hk5 s MET 220 Cb -0.01 -3.03 -0.04 0.00 2.01 0.00 0.00 34.83 33.77 3hk5 s MET 220 CO -0.06 0.73 -0.06 0.00 -0.01 0.00 0.00 175.02 175.62 3hk5 s ALA 221 N -1.06 0.93 -0.15 3.03 0.00 0.36 -0.40 121.76 124.48 3hk5 s ALA 221 Ca 0.17 -1.34 -0.25 0.00 0.00 0.00 0.00 51.96 50.54 3hk5 s ALA 221 Cb -0.12 0.18 0.06 0.00 0.00 0.00 0.00 23.12 23.25 3hk5 s ALA 221 CO 0.07 -0.25 0.63 0.54 0.00 0.00 0.00 175.76 176.75 3hk5 s VAL 222 N -3.66 0.00 -0.13 0.00 0.11 -0.72 -0.40 120.40 115.61 3hk5 s VAL 222 Ca 0.12 -0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 59.06 3hk5 s VAL 222 Cb 0.06 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 3hk5 s VAL 222 CO -0.05 -0.02 0.12 -0.94 -3.33 0.00 0.00 175.10 170.88 3hk5 s SER 223 N -0.35 6.24 0.16 3.54 1.04 -1.26 -1.13 113.70 121.94 3hk5 s SER 223 Ca -0.05 0.40 0.08 0.00 0.48 0.00 0.00 55.95 56.86 3hk5 s SER 223 Cb -0.03 -2.02 -0.04 0.00 0.10 0.00 0.00 66.02 64.03 3hk5 s SER 223 CO 0.04 0.37 -0.18 -0.76 0.98 0.00 0.00 173.24 173.69 3hk5 s LEU 224 N -0.78 2.43 0.81 2.42 1.43 0.14 -4.91 118.68 120.20 3hk5 s LEU 224 Ca 0.13 -0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 52.27 3hk5 s LEU 224 Cb -0.12 -0.80 0.08 0.00 0.03 0.00 0.00 46.19 45.38 3hk5 s LEU 224 CO 0.03 -0.04 1.12 -2.16 0.23 0.00 0.00 176.35 175.53 3hk5 s PRO 225 N -2.73 2.01 0.54 1.29 0.04 -1.25 -0.88 135.00 134.02 3hk5 s PRO 225 Ca 0.14 0.42 0.20 0.00 0.04 0.00 0.00 61.00 61.80 3hk5 s PRO 225 Cb -0.06 -1.93 1.43 0.00 0.04 0.00 0.00 34.50 33.98 3hk5 s PRO 225 CO 0.06 -1.62 2.18 -1.35 0.04 0.00 0.00 177.00 176.30 3hk5 h PRO 226 N -1.08 0.00 -0.08 0.56 0.11 -1.77 -1.66 132.00 128.07 3hk5 h PRO 226 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hk5 h PRO 226 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3hk5 h PRO 226 CO 0.62 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.67 3hk5 n THR 227 N -4.31 0.11 -1.65 -1.15 -2.24 -1.26 -4.04 114.28 99.73 3hk5 n THR 227 Ca -0.03 -0.13 -0.46 0.00 -2.27 0.00 0.00 64.05 61.15 3hk5 n THR 227 Cb 0.09 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.29 3hk5 n THR 227 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3hk5 n PHE 228 N -0.30 2.07 -3.88 4.78 7.35 -0.62 -4.99 117.46 121.88 3hk5 n PHE 228 Ca 0.09 0.41 -0.10 0.00 -0.76 0.00 0.00 57.45 57.09 3hk5 n PHE 228 Cb 0.13 -2.47 -0.09 0.00 0.35 0.00 0.00 39.48 37.40 3hk5 n PHE 228 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3hk5 s SER 229 N 0.54 0.10 -0.27 -2.13 1.04 -1.26 -4.67 113.70 107.04 3hk5 s SER 229 Ca 0.75 -0.46 -0.24 0.00 0.48 0.00 0.00 55.95 56.48 3hk5 s SER 229 Cb -0.71 0.27 0.09 0.00 0.10 0.00 0.00 66.02 65.77 3hk5 s SER 229 CO 0.45 -0.56 0.80 0.12 0.98 0.00 0.00 173.24 175.03 3hk5 s PHE 230 N -2.75 -0.74 0.94 5.02 2.19 -1.26 -4.51 117.98 116.88 3hk5 s PHE 230 Ca -0.04 1.73 -0.12 0.00 0.33 0.00 0.00 56.93 58.84 3hk5 s PHE 230 Cb -0.00 0.34 0.16 0.00 -1.31 0.00 0.00 43.02 42.20 3hk5 s PHE 230 CO -0.05 -0.36 1.09 -1.25 1.83 0.00 0.00 175.22 176.48 3hk5 s PRO 231 N 0.52 0.86 -0.28 10.12 0.04 -1.26 -4.16 135.00 140.84 3hk5 s PRO 231 Ca -0.01 0.84 -0.17 0.00 0.04 0.00 0.00 61.00 61.71 3hk5 s PRO 231 Cb -0.05 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 32.82 3hk5 s PRO 231 CO -0.04 -2.52 0.74 -2.00 0.04 0.00 0.00 177.00 173.22 3hk5 s GLU 232 N -4.86 0.67 -1.43 4.56 2.12 -1.26 -5.06 118.70 113.45 3hk5 s GLU 232 Ca 0.65 1.11 -0.13 0.00 0.36 0.00 0.00 54.97 56.96 3hk5 s GLU 232 Cb -0.19 0.16 0.06 0.00 0.26 0.00 0.00 34.13 34.42 3hk5 s GLU 232 CO 0.58 -0.13 2.16 0.39 -0.54 0.00 0.00 175.26 177.72 3hk5 n GLU 233 N 4.03 3.00 -4.25 4.30 -0.58 -1.26 -3.64 120.64 122.24 3hk5 n GLU 233 Ca -0.19 -2.78 -0.15 0.00 -0.42 0.00 0.00 57.16 53.62 3hk5 n GLU 233 Cb 0.58 -3.22 -0.10 0.00 -0.57 0.00 0.00 31.44 28.14 3hk5 n GLU 233 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3hk5 s SER 234 N 2.75 0.72 0.14 1.62 1.04 -1.26 -5.00 113.70 113.71 3hk5 s SER 234 Ca 0.46 -1.46 -0.18 0.00 0.48 0.00 0.00 55.95 55.25 3hk5 s SER 234 Cb 0.13 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3hk5 s SER 234 CO -0.07 -0.85 1.75 0.78 0.98 0.00 0.00 173.24 175.82 3hk5 h ASN 235 N 2.46 0.08 0.19 7.02 -0.26 -1.92 0.44 115.58 123.59 3hk5 h ASN 235 Ca -0.35 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.42 3hk5 h ASN 235 Cb 1.25 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.53 3hk5 h ASN 235 CO 0.52 0.08 -0.10 -0.09 -1.06 0.00 0.00 177.43 176.79 3hk5 h ARG 236 N 0.20 -0.25 -0.82 0.81 2.43 -1.91 0.13 114.38 114.97 3hk5 h ARG 236 Ca 0.12 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.38 3hk5 h ARG 236 Cb 0.10 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 3hk5 h ARG 236 CO -0.13 -0.17 0.49 0.78 -1.51 0.00 0.00 179.97 179.43 3hk5 h GLY 237 N -0.26 1.24 1.12 2.80 0.00 -1.63 -0.58 103.07 105.75 3hk5 h GLY 237 Ca -0.02 -0.35 -0.19 0.00 0.00 0.00 0.00 47.33 46.77 3hk5 h GLY 237 CO 0.04 0.21 -0.60 3.21 0.00 0.00 0.00 176.54 179.40 3hk5 h ARG 238 N 0.87 0.82 -0.54 4.80 3.08 -0.65 -1.90 114.38 120.86 3hk5 h ARG 238 Ca 0.37 -0.57 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 3hk5 h ARG 238 Cb 0.23 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3hk5 h ARG 238 CO -0.19 1.19 0.12 0.82 -1.07 0.00 0.00 179.97 180.83 3hk5 h ILE 239 N 0.57 1.25 -0.01 2.04 2.04 -0.36 0.17 117.51 123.20 3hk5 h ILE 239 Ca -0.01 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 3hk5 h ILE 239 Cb 1.21 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3hk5 h ILE 239 CO 0.13 0.33 0.00 0.40 0.00 0.00 0.00 178.15 179.01 3hk5 h ILE 240 N 0.77 1.16 -0.07 -0.67 2.04 -1.13 -0.02 117.51 119.59 3hk5 h ILE 240 Ca 0.17 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3hk5 h ILE 240 Cb 0.36 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3hk5 h ILE 240 CO 0.00 0.12 0.00 -0.09 0.00 0.00 0.00 178.15 178.19 3hk5 h ARG 241 N -0.18 0.12 0.00 2.37 2.43 -1.24 -1.15 114.38 116.73 3hk5 h ARG 241 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hk5 h ARG 241 Cb 0.20 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3hk5 h ARG 241 CO -0.00 0.39 -0.67 -0.44 -1.51 0.00 0.00 179.97 177.73 3hk5 h ASP 242 N -0.16 0.00 0.00 -3.80 3.32 -0.72 -3.41 116.42 111.65 3hk5 h ASP 242 Ca 0.02 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3hk5 h ASP 242 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3hk5 h ASP 242 CO 0.00 0.08 -0.05 0.00 -1.72 0.00 0.00 179.24 177.55 3hk5 h LEU 244 N 0.00 -1.14 -0.14 0.00 7.12 -1.22 -1.54 115.31 118.39 3hk5 h LEU 244 Ca 0.00 0.08 0.05 0.00 0.13 0.00 0.00 57.88 58.14 3hk5 h LEU 244 Cb 0.05 0.36 -0.06 0.00 -0.53 0.00 0.00 40.66 40.48 3hk5 h LEU 244 CO 0.00 -0.61 -0.23 -0.07 -0.13 0.00 0.00 178.44 177.41 3hk5 h LEU 245 N -0.94 -0.71 -0.28 2.25 3.38 -1.46 0.10 115.31 117.65 3hk5 h LEU 245 Ca -0.07 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3hk5 h LEU 245 Cb 0.78 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 3hk5 h LEU 245 CO 0.01 -0.28 0.06 -0.65 0.09 0.00 0.00 178.44 177.67 3hk5 h PRO 246 N -0.28 0.17 -0.86 1.13 0.11 -1.78 -0.80 132.00 129.69 3hk5 h PRO 246 Ca 0.10 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 3hk5 h PRO 246 Cb 0.44 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.47 3hk5 h PRO 246 CO -0.31 0.11 0.47 0.28 -0.21 0.00 0.00 178.00 178.34 3hk5 h VAL 247 N 0.17 1.25 -0.27 3.15 2.07 -0.96 -1.77 116.25 119.89 3hk5 h VAL 247 Ca 0.13 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 3hk5 h VAL 247 Cb 0.13 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 3hk5 h VAL 247 CO -0.16 0.28 -0.13 0.00 0.02 0.00 0.00 177.57 177.57 3hk5 h ALA 248 N 1.25 1.27 -0.11 1.67 0.00 -0.33 -2.39 119.26 120.62 3hk5 h ALA 248 Ca 0.30 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3hk5 h ALA 248 Cb 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hk5 h ALA 248 CO -0.05 0.48 -0.13 1.49 0.00 0.00 0.00 179.25 181.04 3hk5 h GLU 249 N 0.42 0.28 -0.54 0.00 4.81 -0.78 0.34 114.58 119.11 3hk5 h GLU 249 Ca 0.08 -0.16 0.08 0.00 -0.13 0.00 0.00 59.36 59.24 3hk5 h GLU 249 Cb 0.49 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.81 3hk5 h GLU 249 CO 0.03 0.71 0.16 -0.22 -0.73 0.00 0.00 179.01 178.96 3hk5 h LYS 250 N -0.14 0.31 -0.28 1.92 3.64 -1.15 -1.12 116.57 119.75 3hk5 h LYS 250 Ca 0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hk5 h LYS 250 Cb 0.67 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3hk5 h LYS 250 CO 0.03 0.20 0.00 0.72 -2.27 0.00 0.00 179.45 178.13 3hk5 n HIS 251 N -5.05 0.36 -3.89 1.91 8.25 -0.92 -4.94 115.22 110.94 3hk5 n HIS 251 Ca 0.07 -0.18 -0.27 0.00 -0.26 0.00 0.00 57.72 57.08 3hk5 n HIS 251 Cb 0.25 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.37 3hk5 n HIS 251 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3hk5 n ASN 252 N 0.71 -2.36 -4.58 0.41 4.05 -0.21 -4.97 115.26 108.31 3hk5 n ASN 252 Ca 0.17 -0.87 -0.34 0.00 0.45 0.00 0.00 54.58 53.98 3hk5 n ASN 252 Cb 0.41 -3.61 -0.11 0.00 1.23 0.00 0.00 39.78 37.70 3hk5 n ASN 252 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3hk5 s ILE 253 N -3.58 4.48 0.65 -1.44 -1.09 0.10 -4.82 121.20 115.50 3hk5 s ILE 253 Ca 0.30 -0.14 -0.13 0.00 -2.23 0.00 0.00 60.65 58.44 3hk5 s ILE 253 Cb -0.15 -3.01 -0.01 0.00 -1.58 0.00 0.00 42.46 37.71 3hk5 s ILE 253 CO 0.85 0.47 1.06 -2.16 -1.23 0.00 0.00 174.94 173.93 3hk5 s PRO 254 N 0.42 3.06 -0.26 2.79 0.04 -1.26 -4.59 135.00 135.20 3hk5 s PRO 254 Ca 0.01 1.10 -0.06 0.00 0.04 0.00 0.00 61.00 62.08 3hk5 s PRO 254 Cb -0.13 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 3hk5 s PRO 254 CO 0.01 -1.01 0.05 0.12 0.04 0.00 0.00 177.00 176.21 3hk5 s PHE 255 N -2.74 3.07 -0.20 0.56 5.36 0.21 -2.00 117.98 122.24 3hk5 s PHE 255 Ca 0.61 -0.69 -0.12 0.00 -0.96 0.00 0.00 56.93 55.77 3hk5 s PHE 255 Cb -0.15 -2.21 -0.05 0.00 -0.34 0.00 0.00 43.02 40.26 3hk5 s PHE 255 CO 0.46 -0.46 0.21 0.00 -1.46 0.00 0.00 175.22 173.97 3hk5 s ALA 256 N 1.55 3.63 -0.17 11.12 0.00 0.46 -0.97 121.76 137.39 3hk5 s ALA 256 Ca 0.05 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.35 3hk5 s ALA 256 Cb -0.15 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 20.67 3hk5 s ALA 256 CO 0.02 -0.00 -0.18 -1.64 0.00 0.00 0.00 175.76 173.96 3hk5 s MET 257 N 0.67 2.76 -0.51 0.00 -1.94 0.17 -1.75 119.30 118.70 3hk5 s MET 257 Ca 0.11 -0.74 -0.07 0.00 -1.71 0.00 0.00 55.69 53.28 3hk5 s MET 257 Cb -0.13 -2.41 0.13 0.00 2.01 0.00 0.00 34.83 34.44 3hk5 s MET 257 CO 0.02 -0.21 0.37 -1.64 -0.01 0.00 0.00 175.02 173.54 3hk5 s MET 258 N 1.34 2.48 -0.04 2.03 -1.94 -0.28 -2.44 119.30 120.46 3hk5 s MET 258 Ca 0.05 -1.97 -0.07 0.00 -1.71 0.00 0.00 55.69 51.99 3hk5 s MET 258 Cb -0.13 -3.86 -0.05 0.00 2.01 0.00 0.00 34.83 32.80 3hk5 s MET 258 CO -0.12 -1.18 0.24 0.42 -0.01 0.00 0.00 175.02 174.37 3hk5 s ILE 259 N 0.97 5.35 0.00 2.53 1.01 -0.77 0.23 121.20 130.53 3hk5 s ILE 259 Ca 0.09 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3hk5 s ILE 259 Cb -0.23 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.71 3hk5 s ILE 259 CO -0.03 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.99 3hk5 n GLY 260 N 1.46 0.92 3.66 6.18 0.00 -0.06 -0.39 105.19 116.97 3hk5 n GLY 260 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3hk5 n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hk5 s VAL 261 N -2.00 4.99 -0.47 1.61 0.11 -0.85 -1.38 120.40 122.40 3hk5 s VAL 261 Ca 0.00 1.31 -0.14 0.00 -2.93 0.00 0.00 61.98 60.22 3hk5 s VAL 261 Cb 0.00 -4.00 0.09 0.00 -1.53 0.00 0.00 36.38 30.94 3hk5 s VAL 261 CO 0.00 0.09 0.38 -0.75 -3.33 0.00 0.00 175.10 171.50 3hk5 s LYS 262 N 1.92 2.86 0.47 1.54 2.20 -0.26 -3.87 119.74 124.61 3hk5 s LYS 262 Ca 0.31 -1.48 -0.23 0.00 -0.36 0.00 0.00 55.97 54.21 3hk5 s LYS 262 Cb -0.16 -4.07 -0.07 0.00 -1.51 0.00 0.00 37.83 32.02 3hk5 s LYS 262 CO 0.11 -1.09 1.23 0.15 -0.36 0.00 0.00 175.35 175.39 3hk5 s LYS 263 N 1.56 3.65 -1.41 4.03 -0.14 -1.26 -0.61 119.74 125.56 3hk5 s LYS 263 Ca 0.04 1.93 -0.06 0.00 -1.36 0.00 0.00 55.97 56.52 3hk5 s LYS 263 Cb -0.25 -2.43 0.00 0.00 -1.68 0.00 0.00 37.83 33.47 3hk5 s LYS 263 CO 0.04 -0.68 0.33 0.54 -0.76 0.00 0.00 175.35 174.82 3hk5 n ARG 264 N -0.51 -1.96 0.20 1.68 1.74 -1.23 -4.87 116.66 111.72 3hk5 n ARG 264 Ca 0.07 0.26 0.08 0.00 -0.77 0.00 0.00 57.85 57.50 3hk5 n ARG 264 Cb 0.47 -3.94 0.31 0.00 -1.02 0.00 0.00 32.46 28.27 3hk5 n ARG 264 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3hk5 h VAL 265 N -1.91 0.56 -2.46 1.55 -1.51 -0.99 -3.32 116.25 108.16 3hk5 h VAL 265 Ca -0.65 -1.40 -0.59 0.00 -1.23 0.00 0.00 66.70 62.82 3hk5 h VAL 265 Cb 1.39 1.97 -0.40 0.00 -2.13 0.00 0.00 31.29 32.12 3hk5 h VAL 265 CO 0.63 0.26 -0.84 1.57 -1.23 0.00 0.00 177.57 177.96 3hk5 n HIS 266 N -3.30 0.90 -0.30 5.19 -0.00 -0.94 -5.01 115.22 111.76 3hk5 n HIS 266 Ca 0.01 -3.74 0.08 0.00 -0.00 0.00 0.00 57.72 54.07 3hk5 n HIS 266 Cb 0.52 -0.20 0.19 0.00 -0.00 0.00 0.00 29.99 30.51 3hk5 n HIS 266 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3hk5 h PRO 267 N 5.06 0.05 -0.12 1.57 0.11 -1.82 -0.81 132.00 136.03 3hk5 h PRO 267 Ca 0.19 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.33 3hk5 h PRO 267 Cb 0.83 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 3hk5 h PRO 267 CO 0.54 0.03 0.20 0.00 -0.21 0.00 0.00 178.00 178.56 3hk5 h ALA 268 N 1.84 1.59 0.00 -0.75 0.00 -1.95 -0.01 119.26 119.97 3hk5 h ALA 268 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3hk5 h ALA 268 Cb 0.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3hk5 h ALA 268 CO -0.81 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 179.46 3hk5 n LEU 269 N -3.50 0.00 0.00 0.00 4.77 -0.31 -4.98 117.00 112.98 3hk5 n LEU 269 Ca 0.00 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3hk5 n LEU 269 Cb 0.30 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3hk5 n LEU 269 CO 0.24 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3hk5 n GLY 270 N 1.37 2.52 0.28 -0.72 0.00 -0.02 -2.28 105.19 106.34 3hk5 n GLY 270 Ca 0.09 -0.33 0.19 0.00 0.00 0.00 0.00 46.02 45.97 3hk5 n GLY 270 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hk5 h ASP 271 N 1.97 0.00 -0.45 1.61 3.32 -1.94 0.65 116.42 121.58 3hk5 h ASP 271 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hk5 h ASP 271 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hk5 h ASP 271 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3hk5 n ALA 272 N -1.97 2.51 -0.60 3.45 0.00 -0.97 -4.29 120.51 118.64 3hk5 n ALA 272 Ca -0.02 -0.83 0.10 0.00 0.00 0.00 0.00 53.44 52.69 3hk5 n ALA 272 Cb 0.07 -0.97 0.36 0.00 0.00 0.00 0.00 19.45 18.91 3hk5 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hk5 n GLY 273 N 1.15 2.72 3.86 0.00 0.00 0.22 -4.88 105.19 108.25 3hk5 n GLY 273 Ca 0.15 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 3hk5 n GLY 273 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hk5 s ASP 274 N -0.92 6.69 0.27 1.61 1.01 -1.26 -0.52 116.67 123.55 3hk5 s ASP 274 Ca 0.52 0.87 0.01 0.00 0.71 0.00 0.00 52.55 54.67 3hk5 s ASP 274 Cb 0.32 -2.21 0.01 0.00 1.01 0.00 0.00 42.92 42.06 3hk5 s ASP 274 CO 0.26 0.15 0.12 0.33 0.21 0.00 0.00 175.17 176.24 3hk5 n PHE 275 N 0.87 -0.32 -4.20 4.23 7.35 0.22 -4.92 117.46 120.68 3hk5 n PHE 275 Ca -0.07 -1.22 -0.14 0.00 -0.76 0.00 0.00 57.45 55.26 3hk5 n PHE 275 Cb 0.52 -0.20 -0.10 0.00 0.35 0.00 0.00 39.48 40.04 3hk5 n PHE 275 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3hk5 s VAL 276 N -1.62 1.00 -0.04 -2.13 0.11 -1.26 -1.10 120.40 115.37 3hk5 s VAL 276 Ca 0.09 -1.84 -0.20 0.00 -2.93 0.00 0.00 61.98 57.09 3hk5 s VAL 276 Cb -0.01 -1.60 0.04 0.00 -1.53 0.00 0.00 36.38 33.29 3hk5 s VAL 276 CO 0.06 -0.67 0.44 -0.83 -3.33 0.00 0.00 175.10 170.77 3hk5 s GLY 277 N -2.81 -0.31 0.22 6.54 0.00 -0.48 -4.83 107.32 105.66 3hk5 s GLY 277 Ca 0.11 0.72 -0.30 0.00 0.00 0.00 0.00 44.72 45.25 3hk5 s GLY 277 CO -0.00 0.47 1.09 1.25 0.00 0.00 0.00 173.10 175.90 3hk5 s LYS 278 N -1.17 4.63 0.32 2.90 2.20 -1.26 -4.40 119.74 122.95 3hk5 s LYS 278 Ca -0.12 1.74 0.08 0.00 -0.36 0.00 0.00 55.97 57.31 3hk5 s LYS 278 Cb -0.03 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 3hk5 s LYS 278 CO 0.06 0.15 0.24 0.00 -0.36 0.00 0.00 175.35 175.44 3hk5 s ALA 279 N -0.64 3.70 0.31 3.13 0.00 -1.26 -4.78 121.76 122.23 3hk5 s ALA 279 Ca 0.47 -1.64 -0.20 0.00 0.00 0.00 0.00 51.96 50.59 3hk5 s ALA 279 Cb -0.30 -1.10 -0.09 0.00 0.00 0.00 0.00 23.12 21.62 3hk5 s ALA 279 CO 0.37 0.07 0.83 0.45 0.00 0.00 0.00 175.76 177.48 3hk5 s SER 280 N -3.93 7.03 0.00 0.00 0.15 -1.26 -4.96 113.70 110.74 3hk5 s SER 280 Ca 0.38 1.54 0.26 0.00 0.70 0.00 0.00 55.95 58.84 3hk5 s SER 280 Cb -0.06 -2.47 0.69 0.00 -1.71 0.00 0.00 66.02 62.47 3hk5 s SER 280 CO 0.25 -0.13 1.53 0.23 1.20 0.00 0.00 173.24 176.32 3hk5 n MET 281 N 0.14 0.45 -0.17 5.44 2.81 -1.26 -4.43 117.12 120.11 3hk5 n MET 281 Ca 0.02 -0.26 -0.02 0.00 -1.81 0.00 0.00 57.70 55.64 3hk5 n MET 281 Cb 0.52 -1.49 0.06 0.00 -0.71 0.00 0.00 33.22 31.60 3hk5 n MET 281 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3hk5 h ASP 282 N 0.62 -0.26 -0.38 7.83 5.19 -1.93 0.09 116.42 127.59 3hk5 h ASP 282 Ca 0.00 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 3hk5 h ASP 282 Cb 0.49 0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.22 3hk5 h ASP 282 CO 0.00 -0.09 0.21 1.23 -3.12 0.00 0.00 179.24 177.47 3hk5 h GLY 283 N 0.10 0.57 0.99 2.75 0.00 -1.77 -0.16 103.07 105.54 3hk5 h GLY 283 Ca 0.26 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3hk5 h GLY 283 CO -0.45 0.25 0.13 -2.08 0.00 0.00 0.00 176.54 174.39 3hk5 h VAL 284 N 0.49 1.24 -0.31 4.60 2.07 -1.76 -0.93 116.25 121.66 3hk5 h VAL 284 Ca 0.13 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3hk5 h VAL 284 Cb 0.06 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3hk5 h VAL 284 CO -0.02 0.32 0.13 -0.08 0.02 0.00 0.00 177.57 177.94 3hk5 h GLU 285 N 0.75 0.28 -0.20 1.57 4.81 -0.77 -0.93 114.58 120.09 3hk5 h GLU 285 Ca 0.17 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3hk5 h GLU 285 Cb 0.34 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3hk5 h GLU 285 CO 0.00 0.18 0.12 1.25 -0.73 0.00 0.00 179.01 179.83 3hk5 h HIS 286 N 0.29 0.26 -0.58 0.92 2.76 -0.79 -2.16 115.15 115.85 3hk5 h HIS 286 Ca 0.13 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.32 3hk5 h HIS 286 Cb 0.07 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 3hk5 h HIS 286 CO -0.11 0.21 0.37 -0.07 -1.30 0.00 0.00 177.93 177.02 3hk5 h LEU 287 N 0.23 0.61 -0.34 0.26 3.38 -0.84 0.42 115.31 119.03 3hk5 h LEU 287 Ca 0.07 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3hk5 h LEU 287 Cb 0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3hk5 h LEU 287 CO -0.01 0.43 0.14 -0.07 0.09 0.00 0.00 178.44 179.02 3hk5 h LEU 288 N 0.73 0.46 -0.07 1.67 3.38 -1.05 -1.80 115.31 118.63 3hk5 h LEU 288 Ca 0.23 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3hk5 h LEU 288 Cb -0.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3hk5 h LEU 288 CO -0.08 0.49 -0.25 -0.09 0.09 0.00 0.00 178.44 178.59 3hk5 h ARG 289 N 0.40 0.29 0.00 1.13 2.43 -1.24 -3.32 114.38 114.08 3hk5 h ARG 289 Ca 0.11 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3hk5 h ARG 289 Cb 0.17 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3hk5 h ARG 289 CO -0.01 0.86 0.00 0.39 -1.51 0.00 0.00 179.97 179.70 3hk5 n GLU 290 N -4.49 0.05 -3.15 0.20 -0.58 0.13 -4.05 120.64 108.74 3hk5 n GLU 290 Ca -0.08 0.04 -0.24 0.00 -0.42 0.00 0.00 57.16 56.46 3hk5 n GLU 290 Cb 0.46 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.72 3hk5 n GLU 290 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3hk5 n TYR 291 N -1.64 2.09 0.32 -0.32 4.01 -0.68 -4.93 117.16 116.01 3hk5 n TYR 291 Ca 0.07 -3.90 0.20 0.00 -0.16 0.00 0.00 57.90 54.10 3hk5 n TYR 291 Cb 0.35 -0.46 1.08 0.00 -0.31 0.00 0.00 39.34 40.01 3hk5 n TYR 291 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3hk5 h PRO 292 N 3.39 0.00 -0.15 -0.72 0.13 -1.70 -0.76 132.00 132.19 3hk5 h PRO 292 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3hk5 h PRO 292 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3hk5 h PRO 292 CO 0.67 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.53 3hk5 n ASN 293 N -3.34 1.95 -4.71 1.44 5.03 -1.26 -4.85 115.26 109.52 3hk5 n ASN 293 Ca -0.03 -1.72 -0.31 0.00 0.87 0.00 0.00 54.58 53.40 3hk5 n ASN 293 Cb 0.11 -0.09 -0.08 0.00 -1.02 0.00 0.00 39.78 38.70 3hk5 n ASN 293 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3hk5 s ASN 294 N -1.68 5.16 -0.07 6.41 0.01 -0.29 -4.79 114.94 119.69 3hk5 s ASN 294 Ca 0.34 -0.10 -0.00 0.00 -0.71 0.00 0.00 52.86 52.38 3hk5 s ASN 294 Cb 0.19 -1.29 -0.03 0.00 0.41 0.00 0.00 41.25 40.53 3hk5 s ASN 294 CO 0.29 0.20 -0.03 -0.54 -1.51 0.00 0.00 177.10 175.50 3hk5 s LYS 295 N -2.17 2.85 -0.07 -0.60 1.02 -1.26 -4.84 119.74 114.66 3hk5 s LYS 295 Ca 0.25 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.76 3hk5 s LYS 295 Cb -0.12 -2.69 0.02 0.00 -0.52 0.00 0.00 37.83 34.52 3hk5 s LYS 295 CO 0.17 0.68 -0.10 -0.06 -0.92 0.00 0.00 175.35 175.12 3hk5 s PHE 296 N -0.88 1.39 -0.23 3.18 0.08 0.29 -0.62 117.98 121.18 3hk5 s PHE 296 Ca 0.14 -0.55 -0.08 0.00 0.12 0.00 0.00 56.93 56.56 3hk5 s PHE 296 Cb -0.11 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.24 3hk5 s PHE 296 CO 0.03 -0.32 0.08 -0.51 -0.10 0.00 0.00 175.22 174.40 3hk5 s LEU 297 N 0.92 3.65 0.00 -0.37 1.43 -0.14 -0.56 118.68 123.60 3hk5 s LEU 297 Ca -0.10 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3hk5 s LEU 297 Cb -0.15 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 3hk5 s LEU 297 CO 0.01 0.04 -0.11 -0.69 0.23 0.00 0.00 176.35 175.83 3hk5 s VAL 298 N 1.19 0.85 -0.05 -1.59 1.01 -0.51 -0.66 120.40 120.64 3hk5 s VAL 298 Ca 0.05 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3hk5 s VAL 298 Cb -0.14 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.52 3hk5 s VAL 298 CO 0.04 0.18 0.13 0.28 0.00 0.00 0.00 175.10 175.73 3hk5 s THR 299 N -0.37 -0.01 0.12 3.92 -1.32 -1.02 -1.99 115.64 114.97 3hk5 s THR 299 Ca 0.03 0.02 0.10 0.00 -1.21 0.00 0.00 61.69 60.63 3hk5 s THR 299 Cb -0.05 -0.19 -0.04 0.00 -1.51 0.00 0.00 72.50 70.71 3hk5 s THR 299 CO -0.00 0.01 -0.26 -0.04 -2.21 0.00 0.00 174.62 172.12 3hk5 s MET 300 N 0.18 1.35 0.07 7.08 -1.94 -1.26 -1.85 119.30 122.94 3hk5 s MET 300 Ca -0.01 -1.30 0.09 0.00 -1.71 0.00 0.00 55.69 52.76 3hk5 s MET 300 Cb -0.02 -1.80 -0.20 0.00 2.01 0.00 0.00 34.83 34.82 3hk5 s MET 300 CO -0.00 0.43 1.08 1.25 -0.01 0.00 0.00 175.02 177.76 3hk5 h LEU 301 N 3.94 0.00 -9.52 -0.03 5.85 -1.03 -3.42 115.31 111.10 3hk5 h LEU 301 Ca -0.50 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 57.69 3hk5 h LEU 301 Cb 1.17 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3hk5 h LEU 301 CO 0.39 0.97 0.29 -0.55 -0.34 0.00 0.00 178.44 179.20 3hk5 s SER 302 N -6.48 7.36 0.45 1.25 0.15 -1.26 -4.59 113.70 110.58 3hk5 s SER 302 Ca -0.01 1.63 0.12 0.00 0.70 0.00 0.00 55.95 58.39 3hk5 s SER 302 Cb 0.09 -2.54 1.03 0.00 -1.71 0.00 0.00 66.02 62.89 3hk5 s SER 302 CO 0.82 -0.08 2.07 -0.09 1.20 0.00 0.00 173.24 177.16 3hk5 h ARG 303 N 5.89 0.34 0.00 5.44 2.43 -1.95 -1.81 114.38 124.73 3hk5 h ARG 303 Ca -0.43 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3hk5 h ARG 303 Cb 1.21 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3hk5 h ARG 303 CO 0.72 0.23 0.00 0.39 -1.51 0.00 0.00 179.97 179.80 3hk5 n GLU 304 N -4.49 0.53 -0.00 0.20 4.71 -1.26 -2.91 120.64 117.42 3hk5 n GLU 304 Ca 0.03 0.02 0.10 0.00 -0.01 0.00 0.00 57.16 57.30 3hk5 n GLU 304 Cb 0.15 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 28.94 3hk5 n GLU 304 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3hk5 n ASN 305 N -1.20 0.66 0.19 1.62 5.03 -0.68 -4.69 115.26 116.19 3hk5 n ASN 305 Ca 0.15 -0.55 -0.14 0.00 0.87 0.00 0.00 54.58 54.91 3hk5 n ASN 305 Cb 0.18 1.41 -0.07 0.00 -1.02 0.00 0.00 39.78 40.28 3hk5 n ASN 305 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 3hk5 h GLN 306 N 0.00 -0.55 -0.10 3.52 1.08 -1.54 -1.78 115.11 115.75 3hk5 h GLN 306 Ca 0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3hk5 h GLN 306 Cb 0.68 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.23 3hk5 h GLN 306 CO 0.00 -0.37 0.06 1.25 -0.95 0.00 0.00 178.83 178.83 3hk5 h HIS 307 N -0.57 0.13 0.00 2.96 2.76 -1.84 -2.25 115.15 116.34 3hk5 h HIS 307 Ca -0.01 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 3hk5 h HIS 307 Cb 0.51 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.43 3hk5 h HIS 307 CO -0.16 0.10 -0.14 1.05 -1.30 0.00 0.00 177.93 177.48 3hk5 h GLU 308 N 0.11 0.00 -0.64 5.26 4.11 -1.84 -1.34 114.58 120.24 3hk5 h GLU 308 Ca 0.04 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.39 3hk5 h GLU 308 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3hk5 h GLU 308 CO -0.01 0.14 0.11 1.25 0.07 0.00 0.00 179.01 180.58 3hk5 h LEU 309 N 0.00 0.99 -0.58 3.06 5.85 -0.93 -0.45 115.31 123.26 3hk5 h LEU 309 Ca -0.00 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 3hk5 h LEU 309 Cb 0.26 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3hk5 h LEU 309 CO 0.02 0.98 0.17 0.58 -0.34 0.00 0.00 178.44 179.85 3hk5 h VAL 310 N 0.98 1.24 -0.62 1.05 2.07 -0.70 -2.23 116.25 118.04 3hk5 h VAL 310 Ca 0.20 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 3hk5 h VAL 310 Cb 0.41 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3hk5 h VAL 310 CO 0.01 0.31 0.21 0.58 0.02 0.00 0.00 177.57 178.70 3hk5 h VAL 311 N 0.81 1.23 -0.21 2.57 2.07 -0.89 -2.22 116.25 119.61 3hk5 h VAL 311 Ca 0.18 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 3hk5 h VAL 311 Cb 0.30 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3hk5 h VAL 311 CO -0.00 0.30 -0.14 0.25 0.02 0.00 0.00 177.57 178.00 3hk5 h LEU 312 N 0.91 0.34 -1.44 2.57 5.85 -0.75 -1.58 115.31 121.21 3hk5 h LEU 312 Ca 0.21 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 3hk5 h LEU 312 Cb 0.23 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3hk5 h LEU 312 CO -0.01 0.51 -0.25 0.00 -0.34 0.00 0.00 178.44 178.34 3hk5 h ALA 313 N 1.53 1.24 0.00 1.25 0.00 -0.81 -1.04 119.26 121.43 3hk5 h ALA 313 Ca 0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3hk5 h ALA 313 Cb 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hk5 h ALA 313 CO 0.03 0.32 -0.21 0.00 0.00 0.00 0.00 179.25 179.39 3hk5 h ARG 314 N 0.00 0.00 0.12 0.00 3.08 -1.03 -3.24 114.38 113.31 3hk5 h ARG 314 Ca -0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 3hk5 h ARG 314 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3hk5 h ARG 314 CO 0.03 0.21 -1.25 0.87 -1.07 0.00 0.00 179.97 178.76 3hk5 h LYS 315 N 0.00 0.26 -5.13 0.04 1.79 -1.06 -3.46 116.57 109.00 3hk5 h LYS 315 Ca -0.00 -0.44 -0.67 0.00 -2.18 0.00 0.00 60.65 57.36 3hk5 h LYS 315 Cb 0.74 0.16 -0.34 0.00 -1.58 0.00 0.00 32.23 31.21 3hk5 h LYS 315 CO 0.03 1.21 -0.87 -0.06 -1.08 0.00 0.00 179.45 178.68 3hk5 s PHE 316 N -2.46 2.62 -0.68 -1.35 0.08 -0.78 -4.99 117.98 110.41 3hk5 s PHE 316 Ca -0.18 -1.35 0.25 0.00 0.12 0.00 0.00 56.93 55.77 3hk5 s PHE 316 Cb 0.03 -1.79 0.90 0.00 -0.57 0.00 0.00 43.02 41.59 3hk5 s PHE 316 CO 0.78 -0.63 1.76 -1.13 -0.10 0.00 0.00 175.22 175.90 3hk5 n SER 317 N 4.17 0.66 -0.46 1.36 3.41 -1.26 -2.64 113.62 118.87 3hk5 n SER 317 Ca -0.20 0.60 0.03 0.00 -0.26 0.00 0.00 58.87 59.04 3hk5 n SER 317 Cb 0.51 -0.76 0.10 0.00 -0.26 0.00 0.00 64.21 63.80 3hk5 n SER 317 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hk5 n ASN 318 N -2.16 1.30 -4.36 4.04 6.94 -1.26 -4.73 115.26 115.02 3hk5 n ASN 318 Ca 0.04 -2.03 -0.34 0.00 -0.02 0.00 0.00 54.58 52.24 3hk5 n ASN 318 Cb 0.35 -0.19 -0.14 0.00 -2.36 0.00 0.00 39.78 37.44 3hk5 n ASN 318 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3hk5 s LEU 319 N -0.98 2.85 -0.20 -4.53 2.96 -1.08 -0.55 118.68 117.15 3hk5 s LEU 319 Ca 0.15 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 3hk5 s LEU 319 Cb 0.08 -1.68 0.04 0.00 0.50 0.00 0.00 46.19 45.13 3hk5 s LEU 319 CO 0.10 0.10 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.76 3hk5 s MET 320 N 0.77 2.43 0.30 1.98 -2.45 0.28 -4.93 119.30 117.67 3hk5 s MET 320 Ca -0.03 -0.93 -0.22 0.00 -1.25 0.00 0.00 55.69 53.25 3hk5 s MET 320 Cb -0.15 -2.55 -0.09 0.00 1.25 0.00 0.00 34.83 33.29 3hk5 s MET 320 CO 0.01 -0.37 0.85 0.42 1.05 0.00 0.00 175.02 176.99 3hk5 s ILE 321 N 1.30 4.39 -0.02 10.11 1.01 -1.26 -1.43 121.20 135.30 3hk5 s ILE 321 Ca -0.00 1.53 -0.12 0.00 0.00 0.00 0.00 60.65 62.06 3hk5 s ILE 321 Cb -0.16 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.45 3hk5 s ILE 321 CO -0.09 0.08 0.25 0.72 0.00 0.00 0.00 174.94 175.90 3hk5 s PHE 322 N -1.69 -0.12 0.25 3.97 -0.12 -0.84 -1.59 117.98 117.85 3hk5 s PHE 322 Ca 0.50 0.18 0.00 0.00 -0.05 0.00 0.00 56.93 57.56 3hk5 s PHE 322 Cb -0.16 0.05 0.00 0.00 -0.63 0.00 0.00 43.02 42.28 3hk5 s PHE 322 CO 0.21 -0.33 0.00 0.41 -0.05 0.00 0.00 175.22 175.46 3hk5 n GLY 323 N 1.49 -1.37 2.93 1.99 0.00 0.10 -4.45 105.19 105.89 3hk5 n GLY 323 Ca -0.21 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 3hk5 n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hk5 s TRP 325 N -0.34 3.06 0.00 0.00 -0.00 -1.26 -3.03 118.94 117.36 3hk5 s TRP 325 Ca 0.18 1.01 0.00 0.00 -0.00 0.00 0.00 56.10 57.28 3hk5 s TRP 325 Cb -0.24 -3.56 0.00 0.00 -0.00 0.00 0.00 33.47 29.66 3hk5 s TRP 325 CO -0.01 -1.96 0.00 1.87 -0.00 0.00 0.00 176.95 176.85 3hk5 n TRP 326 N 5.02 0.00 0.53 5.86 -0.00 -1.26 -0.54 117.44 127.05 3hk5 n TRP 326 Ca 0.12 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.70 3hk5 n TRP 326 Cb 0.45 0.00 0.34 0.00 -0.00 0.00 0.00 31.31 32.10 3hk5 n TRP 326 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 3hk5 n PHE 327 N 0.00 0.05 0.37 5.87 3.72 -1.26 -1.54 117.46 124.67 3hk5 n PHE 327 Ca 0.00 0.02 0.12 0.00 -0.05 0.00 0.00 57.45 57.54 3hk5 n PHE 327 Cb 0.00 -0.53 0.07 0.00 -0.94 0.00 0.00 39.48 38.08 3hk5 n PHE 327 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3hk5 n MET 328 N -1.55 0.43 -1.04 -1.08 2.81 0.30 -4.57 117.12 112.42 3hk5 n MET 328 Ca 0.04 0.08 -0.26 0.00 -1.81 0.00 0.00 57.70 55.75 3hk5 n MET 328 Cb 0.19 -1.73 -0.06 0.00 -0.71 0.00 0.00 33.22 30.91 3hk5 n MET 328 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3hk5 n ASN 329 N -2.32 6.58 -3.97 7.83 5.15 -0.59 -3.75 115.26 124.19 3hk5 n ASN 329 Ca 0.02 -2.44 -0.19 0.00 -0.60 0.00 0.00 54.58 51.36 3hk5 n ASN 329 Cb 0.49 -1.35 -0.15 0.00 -0.53 0.00 0.00 39.78 38.23 3hk5 n ASN 329 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3hk5 s ASN 330 N 2.43 0.96 0.13 1.20 0.01 -1.26 -4.98 114.94 113.42 3hk5 s ASN 330 Ca 0.59 -0.14 -0.16 0.00 -0.71 0.00 0.00 52.86 52.44 3hk5 s ASN 330 Cb 0.19 -0.25 0.06 0.00 0.41 0.00 0.00 41.25 41.66 3hk5 s ASN 330 CO -0.03 0.04 1.04 -2.65 -1.51 0.00 0.00 177.10 173.99 3hk5 n PRO 331 N 3.32 -0.22 -0.29 -0.60 -0.02 -1.26 -0.21 135.00 135.72 3hk5 n PRO 331 Ca -0.18 1.03 0.04 0.00 -2.02 0.00 0.00 63.50 62.37 3hk5 n PRO 331 Cb 0.55 -1.52 0.18 0.00 -0.02 0.00 0.00 33.50 32.69 3hk5 n PRO 331 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hk5 h GLU 332 N 0.00 0.68 0.13 -0.52 4.57 -1.98 -0.20 114.58 117.27 3hk5 h GLU 332 Ca 0.17 -0.04 -0.22 0.00 -1.18 0.00 0.00 59.36 58.09 3hk5 h GLU 332 Cb 0.34 -0.15 0.02 0.00 -0.16 0.00 0.00 28.75 28.80 3hk5 h GLU 332 CO -0.65 0.45 -0.94 0.82 -1.18 0.00 0.00 179.01 177.51 3hk5 h ILE 333 N 0.70 1.43 -0.90 2.32 1.08 -0.85 -2.97 117.51 118.33 3hk5 h ILE 333 Ca 0.41 -2.47 0.08 0.00 -0.39 0.00 0.00 64.86 62.49 3hk5 h ILE 333 Cb 0.46 3.01 -0.07 0.00 -3.07 0.00 0.00 36.82 37.15 3hk5 h ILE 333 CO -0.29 0.72 0.56 0.40 -0.69 0.00 0.00 178.15 178.84 3hk5 h ILE 334 N -0.16 1.00 0.29 -0.67 2.04 -0.43 0.65 117.51 120.23 3hk5 h ILE 334 Ca -0.16 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3hk5 h ILE 334 Cb 1.71 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3hk5 h ILE 334 CO 0.18 0.18 -0.14 -1.13 0.00 0.00 0.00 178.15 177.24 3hk5 h ASN 335 N 0.97 -0.33 -0.68 1.72 -0.73 -1.10 -0.62 115.58 114.82 3hk5 h ASN 335 Ca 0.41 -0.08 -0.05 0.00 1.87 0.00 0.00 56.30 58.45 3hk5 h ASN 335 Cb 0.27 0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.91 3hk5 h ASN 335 CO -0.21 -0.11 0.23 1.05 -0.37 0.00 0.00 177.43 178.02 3hk5 h GLU 336 N -0.53 1.05 -0.09 6.67 4.11 -1.29 -1.97 114.58 122.53 3hk5 h GLU 336 Ca -0.04 -0.21 -0.00 0.00 0.07 0.00 0.00 59.36 59.17 3hk5 h GLU 336 Cb 0.39 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3hk5 h GLU 336 CO 0.06 0.90 0.04 0.52 0.07 0.00 0.00 179.01 180.60 3hk5 h MET 337 N 0.99 0.13 -0.64 1.06 2.86 -0.84 -1.43 114.93 117.07 3hk5 h MET 337 Ca 0.22 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 3hk5 h MET 337 Cb 0.27 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 3hk5 h MET 337 CO -0.01 0.24 0.30 1.15 1.06 0.00 0.00 176.91 179.65 3hk5 h THR 338 N -0.01 1.21 -0.18 2.22 2.02 -1.01 -0.39 112.91 116.78 3hk5 h THR 338 Ca 0.03 -0.60 -0.10 0.00 0.77 0.00 0.00 66.41 66.51 3hk5 h THR 338 Cb 0.16 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3hk5 h THR 338 CO -0.00 0.25 -0.29 0.03 0.37 0.00 0.00 175.52 175.87 3hk5 h ARG 339 N 0.90 0.51 -0.91 6.66 3.08 -1.25 -1.18 114.38 122.20 3hk5 h ARG 339 Ca 0.22 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3hk5 h ARG 339 Cb 0.11 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3hk5 h ARG 339 CO -0.03 0.91 0.53 0.52 -1.07 0.00 0.00 179.97 180.83 3hk5 h MET 340 N 0.16 1.25 -0.00 0.04 2.86 -1.02 -1.35 114.93 116.86 3hk5 h MET 340 Ca 0.01 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3hk5 h MET 340 Cb 0.88 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 3hk5 h MET 340 CO 0.07 0.89 0.00 0.00 1.06 0.00 0.00 176.91 178.93 3hk5 h ARG 341 N 1.26 0.01 -0.53 1.72 3.08 -0.97 -2.36 114.38 116.58 3hk5 h ARG 341 Ca 0.32 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.31 3hk5 h ARG 341 Cb -0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3hk5 h ARG 341 CO -0.06 0.25 0.08 1.98 -1.07 0.00 0.00 179.97 181.15 3hk5 h MET 342 N -0.24 0.83 -0.57 0.04 4.05 -1.11 0.33 114.93 118.26 3hk5 h MET 342 Ca 0.00 -0.19 -0.03 0.00 -0.28 0.00 0.00 59.70 59.20 3hk5 h MET 342 Cb 0.25 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 3hk5 h MET 342 CO 0.00 0.79 0.23 0.93 0.23 0.00 0.00 176.91 179.08 3hk5 h GLU 343 N 0.79 0.83 0.00 0.39 5.08 -1.15 0.32 114.58 120.84 3hk5 h GLU 343 Ca 0.17 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hk5 h GLU 343 Cb 0.37 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hk5 h GLU 343 CO 0.01 0.68 -1.35 -1.33 -1.00 0.00 0.00 179.01 176.01 3hk5 n MET 344 N -4.33 0.53 0.00 2.33 2.81 -0.90 -4.61 117.12 112.96 3hk5 n MET 344 Ca 0.05 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 3hk5 n MET 344 Cb 0.16 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 3hk5 n MET 344 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hk5 n LEU 345 N -1.78 0.59 0.00 4.03 4.77 0.11 -4.92 117.00 119.81 3hk5 n LEU 345 Ca 0.01 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3hk5 n LEU 345 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3hk5 n LEU 345 CO 0.41 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3hk5 n GLY 346 N 0.06 3.94 0.70 -0.72 0.00 0.11 -1.74 105.19 107.55 3hk5 n GLY 346 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.13 3hk5 n GLY 346 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hk5 n THR 347 N 0.00 1.54 -1.72 2.61 -2.24 -1.26 -4.27 114.28 108.93 3hk5 n THR 347 Ca 0.00 -1.39 -0.35 0.00 -2.27 0.00 0.00 64.05 60.05 3hk5 n THR 347 Cb 0.00 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 3hk5 n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hk5 n SER 348 N 0.01 7.57 -3.57 3.42 3.41 -0.71 -4.70 113.62 119.05 3hk5 n SER 348 Ca 0.15 -3.05 -0.10 0.00 -0.26 0.00 0.00 58.87 55.62 3hk5 n SER 348 Cb 0.61 -1.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.19 3hk5 n SER 348 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hk5 s PHE 349 N -0.77 -0.40 -0.46 7.33 -0.12 -1.26 -4.78 117.98 117.53 3hk5 s PHE 349 Ca 0.58 0.13 -0.09 0.00 -0.05 0.00 0.00 56.93 57.50 3hk5 s PHE 349 Cb 0.24 0.60 0.11 0.00 -0.63 0.00 0.00 43.02 43.35 3hk5 s PHE 349 CO -0.12 -0.92 0.32 0.42 -0.05 0.00 0.00 175.22 174.87 3hk5 s ILE 350 N -3.69 4.14 0.42 -4.49 1.01 -0.62 -4.69 121.20 113.27 3hk5 s ILE 350 Ca 0.05 -1.73 0.15 0.00 0.00 0.00 0.00 60.65 59.12 3hk5 s ILE 350 Cb -0.02 -3.70 0.36 0.00 0.01 0.00 0.00 42.46 39.10 3hk5 s ILE 350 CO -0.06 -0.72 1.91 1.55 0.00 0.00 0.00 174.94 177.62 3hk5 h PRO 351 N 8.41 0.43 -3.16 2.79 0.13 -1.84 0.33 132.00 139.08 3hk5 h PRO 351 Ca -0.21 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 3hk5 h PRO 351 Cb 1.07 -0.10 -0.11 0.00 0.13 0.00 0.00 31.00 31.99 3hk5 h PRO 351 CO 0.83 0.28 0.10 -1.14 -0.23 0.00 0.00 178.00 177.85 3hk5 s GLN 352 N -5.44 1.28 0.07 0.86 2.00 -1.26 -3.49 119.66 113.69 3hk5 s GLN 352 Ca -0.08 -0.65 -0.08 0.00 -2.00 0.00 0.00 55.36 52.55 3hk5 s GLN 352 Cb 0.21 0.55 -0.00 0.00 0.80 0.00 0.00 33.01 34.57 3hk5 s GLN 352 CO 0.77 -0.55 0.17 -3.38 -0.50 0.00 0.00 175.29 171.80 3hk5 s HIS 353 N -3.80 0.15 -0.07 1.67 -3.43 -1.26 -4.60 115.29 103.95 3hk5 s HIS 353 Ca 0.04 -0.51 0.03 0.00 -0.80 0.00 0.00 55.06 53.82 3hk5 s HIS 353 Cb -0.01 -0.08 -0.25 0.00 -1.43 0.00 0.00 32.58 30.82 3hk5 s HIS 353 CO -0.09 -0.48 0.56 0.66 -2.00 0.00 0.00 174.74 173.39 3hk5 h SER 354 N 3.08 0.21 -1.24 7.38 4.64 -1.93 -3.44 113.55 122.24 3hk5 h SER 354 Ca -0.33 -0.45 -0.33 0.00 -0.47 0.00 0.00 61.79 60.20 3hk5 h SER 354 Cb 1.19 -0.07 -0.10 0.00 -0.31 0.00 0.00 62.40 63.12 3hk5 h SER 354 CO 0.54 1.40 -0.34 -0.67 -0.87 0.00 0.00 176.83 176.90 3hk5 n ASP 355 N -3.27 -4.93 -4.67 4.97 -0.08 -0.36 -4.89 116.55 103.32 3hk5 n ASP 355 Ca -0.23 0.28 -0.45 0.00 -1.51 0.00 0.00 54.79 52.87 3hk5 n ASP 355 Cb 1.05 -3.92 -0.04 0.00 2.34 0.00 0.00 41.12 40.55 3hk5 n ASP 355 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hk5 n ALA 356 N 0.38 1.51 -0.04 -1.67 0.00 -1.26 -4.39 120.51 115.03 3hk5 n ALA 356 Ca -0.17 0.44 -0.00 0.00 0.00 0.00 0.00 53.44 53.71 3hk5 n ALA 356 Cb 0.57 -2.36 -0.13 0.00 0.00 0.00 0.00 19.45 17.53 3hk5 n ALA 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hk5 n ARG 357 N 3.39 1.03 -4.70 0.00 1.74 -1.26 0.35 116.66 117.20 3hk5 n ARG 357 Ca 0.17 -0.07 -0.32 0.00 -0.77 0.00 0.00 57.85 56.85 3hk5 n ARG 357 Cb 0.30 -1.40 -0.17 0.00 -1.02 0.00 0.00 32.46 30.17 3hk5 n ARG 357 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hk5 s VAL 358 N -2.74 2.00 0.16 1.55 1.01 -1.26 -4.37 120.40 116.76 3hk5 s VAL 358 Ca -0.07 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.80 3hk5 s VAL 358 Cb 0.07 -1.77 0.12 0.00 0.00 0.00 0.00 36.38 34.80 3hk5 s VAL 358 CO 0.66 0.54 1.19 -0.11 0.00 0.00 0.00 175.10 177.38 3hk5 n LEU 359 N 4.04 -0.59 0.34 3.92 7.94 0.35 -0.59 117.00 132.39 3hk5 n LEU 359 Ca -0.20 1.35 0.22 0.00 -1.11 0.00 0.00 56.01 56.27 3hk5 n LEU 359 Cb 0.52 -0.27 1.16 0.00 0.53 0.00 0.00 43.42 45.35 3hk5 n LEU 359 CO 0.27 -1.18 1.18 -0.33 -1.11 0.00 0.00 177.39 176.22 3hk5 h GLU 360 N 0.00 0.00 0.00 1.96 3.07 -1.93 -2.63 114.58 115.05 3hk5 h GLU 360 Ca 0.23 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.08 3hk5 h GLU 360 Cb 0.42 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3hk5 h GLU 360 CO -0.75 0.00 -0.02 1.96 -1.40 0.00 0.00 179.01 178.80 3hk5 h GLN 361 N 0.00 0.00 -0.55 2.33 4.20 -1.26 -1.38 115.11 118.46 3hk5 h GLN 361 Ca 0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.85 3hk5 h GLN 361 Cb 0.10 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3hk5 h GLN 361 CO -0.00 0.02 0.38 -0.07 -0.67 0.00 0.00 178.83 178.49 3hk5 h LEU 362 N 0.00 0.12 0.58 1.46 3.38 -1.64 0.13 115.31 119.34 3hk5 h LEU 362 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hk5 h LEU 362 Cb 0.08 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hk5 h LEU 362 CO 0.00 0.06 -0.28 0.40 0.09 0.00 0.00 178.44 178.72 3hk5 h ILE 363 N 0.12 0.25 -0.11 1.22 2.04 -1.49 -2.70 117.51 116.84 3hk5 h ILE 363 Ca 0.26 -0.36 -0.21 0.00 1.00 0.00 0.00 64.86 65.55 3hk5 h ILE 363 Cb 0.86 0.34 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3hk5 h ILE 363 CO -0.03 0.03 -0.79 0.10 0.00 0.00 0.00 178.15 177.46 3hk5 h TYR 364 N -1.07 0.86 -0.18 1.37 -0.00 -1.60 -1.32 116.97 115.03 3hk5 h TYR 364 Ca -0.08 -0.39 0.04 0.00 0.00 0.00 0.00 58.73 58.30 3hk5 h TYR 364 Cb 0.66 -0.13 -0.04 0.00 0.00 0.00 0.00 36.73 37.23 3hk5 h TYR 364 CO 0.00 1.20 -0.05 0.87 -0.00 0.00 0.00 178.16 180.18 3hk5 h LYS 365 N 0.42 -0.01 -0.00 0.10 1.79 -0.86 0.95 116.57 118.96 3hk5 h LYS 365 Ca -0.05 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.23 3hk5 h LYS 365 Cb 1.40 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.04 3hk5 h LYS 365 CO 0.15 -0.01 -0.83 -1.49 -1.08 0.00 0.00 179.45 176.19 3hk5 h TRP 366 N -0.01 0.20 0.06 -1.35 4.06 -1.52 -2.45 115.95 114.94 3hk5 h TRP 366 Ca 0.09 -0.11 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 3hk5 h TRP 366 Cb 0.14 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.28 3hk5 h TRP 366 CO -0.21 0.90 -0.03 1.25 -3.56 0.00 0.00 178.44 176.79 3hk5 h HIS 367 N 0.08 -0.08 -0.60 0.49 2.76 -0.95 0.74 115.15 117.59 3hk5 h HIS 367 Ca -0.03 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 3hk5 h HIS 367 Cb 1.45 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 30.41 3hk5 h HIS 367 CO 0.02 0.22 0.30 0.45 -1.30 0.00 0.00 177.93 177.62 3hk5 h HIS 368 N -0.38 0.85 -0.11 5.26 3.86 -0.88 -2.82 115.15 120.93 3hk5 h HIS 368 Ca -0.01 -0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 58.98 3hk5 h HIS 368 Cb 0.33 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 3hk5 h HIS 368 CO 0.02 0.63 -0.71 0.77 0.86 0.00 0.00 177.93 179.51 3hk5 h SER 369 N 0.82 0.59 -0.65 2.45 0.02 -1.44 -3.23 113.55 112.12 3hk5 h SER 369 Ca 0.21 -0.38 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 3hk5 h SER 369 Cb 0.09 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 3hk5 h SER 369 CO -0.03 1.12 0.22 0.11 -1.14 0.00 0.00 176.83 177.11 3hk5 h LYS 370 N 0.35 0.99 -0.32 3.45 1.57 -0.75 -1.02 116.57 120.85 3hk5 h LYS 370 Ca -0.03 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 3hk5 h LYS 370 Cb 1.29 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 3hk5 h LYS 370 CO 0.13 0.86 0.05 0.66 -0.57 0.00 0.00 179.45 180.58 3hk5 h SER 371 N 0.93 0.43 -0.03 0.86 4.64 -1.56 0.16 113.55 118.98 3hk5 h SER 371 Ca 0.21 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.40 3hk5 h SER 371 Cb 0.27 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3hk5 h SER 371 CO -0.01 0.46 -0.24 0.40 -0.87 0.00 0.00 176.83 176.57 3hk5 h ILE 372 N 0.46 1.48 -0.66 0.95 2.04 -1.50 -2.43 117.51 117.84 3hk5 h ILE 372 Ca 0.11 -1.77 -0.01 0.00 1.00 0.00 0.00 64.86 64.19 3hk5 h ILE 372 Cb 0.23 2.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 3hk5 h ILE 372 CO 0.00 0.49 0.36 0.40 0.00 0.00 0.00 178.15 179.40 3hk5 h ILE 373 N -0.36 1.20 -0.41 -0.67 2.04 -0.94 -1.57 117.51 116.81 3hk5 h ILE 373 Ca -0.02 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3hk5 h ILE 373 Cb 0.93 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3hk5 h ILE 373 CO 0.05 0.22 0.20 0.00 0.00 0.00 0.00 178.15 178.62 3hk5 h ALA 374 N 1.48 0.53 -0.53 1.87 0.00 -0.68 0.04 119.26 121.97 3hk5 h ALA 374 Ca 0.23 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3hk5 h ALA 374 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hk5 h ALA 374 CO -0.04 0.09 0.14 0.93 0.00 0.00 0.00 179.25 180.37 3hk5 h GLU 375 N 0.52 0.80 -0.42 0.00 4.39 -0.90 -0.27 114.58 118.70 3hk5 h GLU 375 Ca 0.14 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 3hk5 h GLU 375 Cb 0.11 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3hk5 h GLU 375 CO -0.02 0.71 -0.22 0.28 -1.16 0.00 0.00 179.01 178.60 3hk5 h VAL 376 N 0.78 1.28 -0.64 3.13 2.07 -0.94 -2.17 116.25 119.75 3hk5 h VAL 376 Ca 0.17 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 3hk5 h VAL 376 Cb 0.27 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3hk5 h VAL 376 CO -0.00 0.46 0.26 -0.07 0.02 0.00 0.00 177.57 178.24 3hk5 h LEU 377 N 0.71 0.88 -0.65 2.57 3.38 -0.52 -1.93 115.31 119.74 3hk5 h LEU 377 Ca 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hk5 h LEU 377 Cb 0.79 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3hk5 h LEU 377 CO 0.07 0.81 0.41 0.40 0.09 0.00 0.00 178.44 180.21 3hk5 h ILE 378 N 0.90 1.18 -0.11 1.22 2.04 -0.95 0.76 117.51 122.54 3hk5 h ILE 378 Ca 0.21 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3hk5 h ILE 378 Cb 0.20 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3hk5 h ILE 378 CO -0.02 0.18 0.06 0.44 0.00 0.00 0.00 178.15 178.81 3hk5 h ASP 379 N 0.88 0.14 -0.51 1.72 3.32 -1.11 -0.75 116.42 120.12 3hk5 h ASP 379 Ca 0.24 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3hk5 h ASP 379 Cb -0.06 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3hk5 h ASP 379 CO -0.05 0.21 0.00 0.11 -1.72 0.00 0.00 179.24 177.80 3hk5 h LYS 380 N 0.06 0.94 -0.46 3.56 6.56 -1.09 -0.74 116.57 125.40 3hk5 h LYS 380 Ca 0.04 -0.28 -0.13 0.00 -1.06 0.00 0.00 60.65 59.23 3hk5 h LYS 380 Cb 0.11 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 3hk5 h LYS 380 CO -0.01 0.93 -0.20 1.88 -2.06 0.00 0.00 179.45 179.99 3hk5 h TYR 381 N 0.87 1.10 -0.86 -1.35 0.05 -0.79 -2.96 116.97 113.03 3hk5 h TYR 381 Ca 0.16 -0.27 -0.02 0.00 0.05 0.00 0.00 58.73 58.66 3hk5 h TYR 381 Cb 0.51 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.95 3hk5 h TYR 381 CO 0.03 1.08 0.45 0.22 -1.05 0.00 0.00 178.16 178.89 3hk5 h ASP 382 N 0.80 1.08 -0.85 3.88 3.58 -0.83 0.01 116.42 124.10 3hk5 h ASP 382 Ca 0.11 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 3hk5 h ASP 382 Cb 0.78 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.51 3hk5 h ASP 382 CO 0.06 0.88 0.51 0.44 -2.88 0.00 0.00 179.24 178.26 3hk5 h ASP 383 N 1.21 1.02 1.43 2.28 3.32 -0.98 0.07 116.42 124.76 3hk5 h ASP 383 Ca 0.30 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 3hk5 h ASP 383 Cb 0.05 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3hk5 h ASP 383 CO -0.05 0.78 -0.38 0.16 -1.72 0.00 0.00 179.24 178.03 3hk5 h ILE 384 N 1.16 0.70 -0.52 0.35 3.07 -1.32 -2.86 117.51 118.10 3hk5 h ILE 384 Ca 0.30 -1.84 -0.11 0.00 1.55 0.00 0.00 64.86 64.76 3hk5 h ILE 384 Cb -0.05 2.23 -0.02 0.00 -0.27 0.00 0.00 36.82 38.72 3hk5 h ILE 384 CO -0.06 0.38 -0.10 -0.07 -1.05 0.00 0.00 178.15 177.24 3hk5 h LEU 385 N 0.00 0.99 -0.92 0.16 4.07 -0.29 -0.64 115.31 118.68 3hk5 h LEU 385 Ca -0.00 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.60 3hk5 h LEU 385 Cb 1.20 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.67 3hk5 h LEU 385 CO 0.05 1.11 0.00 1.56 -1.08 0.00 0.00 178.44 180.08 3hk5 h GLN 386 N 0.85 0.00 -0.05 1.13 4.20 -0.89 -1.22 115.11 119.13 3hk5 h GLN 386 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3hk5 h GLN 386 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 3hk5 h GLN 386 CO 0.05 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.21 3hk5 n ALA 387 N -1.86 2.58 -0.05 3.87 0.00 -0.69 -4.90 120.51 119.46 3hk5 n ALA 387 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3hk5 n ALA 387 Cb 0.25 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3hk5 n ALA 387 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hk5 n GLY 388 N 1.12 0.47 3.79 0.00 0.00 -0.46 -5.07 105.19 105.03 3hk5 n GLY 388 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3hk5 n GLY 388 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hk5 s TRP 389 N -2.12 3.49 -0.19 1.61 -0.11 -0.33 -5.00 118.94 116.29 3hk5 s TRP 389 Ca 0.00 1.71 -0.00 0.00 1.22 0.00 0.00 56.10 59.03 3hk5 s TRP 389 Cb 0.00 -2.97 0.01 0.00 -1.50 0.00 0.00 33.47 29.01 3hk5 s TRP 389 CO 0.00 -0.10 -0.16 -1.21 -4.62 0.00 0.00 176.95 170.86 3hk5 s GLU 390 N -2.40 3.11 -0.18 5.86 2.02 -1.26 -4.11 118.70 121.73 3hk5 s GLU 390 Ca 0.55 -0.77 -0.07 0.00 0.02 0.00 0.00 54.97 54.70 3hk5 s GLU 390 Cb -0.18 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 3hk5 s GLU 390 CO 0.23 -0.18 0.04 0.54 0.02 0.00 0.00 175.26 175.91 3hk5 s VAL 391 N 1.29 4.58 0.50 2.63 0.11 -1.26 -5.10 120.40 123.15 3hk5 s VAL 391 Ca 0.04 -0.11 -0.08 0.00 -2.93 0.00 0.00 61.98 58.90 3hk5 s VAL 391 Cb -0.14 -3.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.61 3hk5 s VAL 391 CO -0.09 0.46 0.85 0.42 -3.33 0.00 0.00 175.10 173.41 3hk5 s THR 392 N 0.44 4.83 0.37 5.04 -4.23 -1.26 -4.96 115.64 115.87 3hk5 s THR 392 Ca 0.02 0.46 0.06 0.00 -1.18 0.00 0.00 61.69 61.05 3hk5 s THR 392 Cb -0.13 -3.84 0.19 0.00 1.34 0.00 0.00 72.50 70.07 3hk5 s THR 392 CO 0.01 -0.86 1.94 -0.08 -0.54 0.00 0.00 174.62 175.09 3hk5 h GLU 393 N 0.29 0.50 -0.21 3.99 4.81 -1.99 -1.76 114.58 120.19 3hk5 h GLU 393 Ca -0.46 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 58.59 3hk5 h GLU 393 Cb 1.20 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3hk5 h GLU 393 CO 0.62 0.47 -0.28 0.93 -0.73 0.00 0.00 179.01 180.02 3hk5 h GLU 394 N 0.49 0.42 -0.21 1.92 4.39 -1.99 -1.18 114.58 118.42 3hk5 h GLU 394 Ca 0.12 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.52 3hk5 h GLU 394 Cb 0.20 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3hk5 h GLU 394 CO -0.00 0.66 -0.43 0.93 -1.16 0.00 0.00 179.01 179.00 3hk5 h GLU 395 N 0.37 0.50 -0.22 2.33 5.08 -1.73 -1.08 114.58 119.82 3hk5 h GLU 395 Ca 0.05 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3hk5 h GLU 395 Cb 0.68 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3hk5 h GLU 395 CO 0.05 0.84 0.05 0.82 -1.00 0.00 0.00 179.01 179.77 3hk5 h ILE 396 N 0.41 1.22 -0.46 3.13 2.04 -0.91 -0.49 117.51 122.44 3hk5 h ILE 396 Ca 0.03 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 3hk5 h ILE 396 Cb 0.93 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3hk5 h ILE 396 CO 0.08 0.22 0.12 0.11 0.00 0.00 0.00 178.15 178.68 3hk5 h LYS 397 N 0.18 0.69 0.02 2.37 1.57 -1.10 -0.11 116.57 120.18 3hk5 h LYS 397 Ca 0.07 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hk5 h LYS 397 Cb 0.29 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3hk5 h LYS 397 CO 0.00 0.62 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.40 3hk5 h ARG 398 N 0.67 -0.02 -0.49 3.15 2.43 -0.92 -0.21 114.38 118.99 3hk5 h ARG 398 Ca 0.15 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3hk5 h ARG 398 Cb 0.24 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 3hk5 h ARG 398 CO -0.00 0.20 0.32 -0.44 -1.51 0.00 0.00 179.97 178.53 3hk5 h ASP 399 N -0.25 0.54 -0.73 -3.80 3.32 -0.74 -1.51 116.42 113.24 3hk5 h ASP 399 Ca -0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3hk5 h ASP 399 Cb 0.24 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3hk5 h ASP 399 CO 0.00 0.39 0.34 0.58 -1.72 0.00 0.00 179.24 178.83 3hk5 h VAL 400 N 0.64 1.24 -0.46 -1.35 2.07 -0.96 -1.99 116.25 115.43 3hk5 h VAL 400 Ca 0.19 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 3hk5 h VAL 400 Cb -0.05 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3hk5 h VAL 400 CO -0.05 0.29 -0.02 0.00 0.02 0.00 0.00 177.57 177.80 3hk5 h ALA 401 N 1.32 1.09 -0.14 1.67 0.00 -0.48 -1.45 119.26 121.27 3hk5 h ALA 401 Ca 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hk5 h ALA 401 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hk5 h ALA 401 CO -0.03 0.57 0.02 -0.44 0.00 0.00 0.00 179.25 179.37 3hk5 h ASP 402 N 0.73 0.23 0.14 0.00 3.32 -0.80 0.19 116.42 120.22 3hk5 h ASP 402 Ca 0.14 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3hk5 h ASP 402 Cb 0.47 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3hk5 h ASP 402 CO 0.02 0.44 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.85 3hk5 h LEU 403 N 0.00 -0.16 -0.11 1.55 3.38 -1.18 -0.66 115.31 118.12 3hk5 h LEU 403 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hk5 h LEU 403 Cb 0.32 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3hk5 h LEU 403 CO 0.00 -0.11 -0.27 0.49 0.09 0.00 0.00 178.44 178.64 3hk5 n PHE 404 N -5.17 0.00 0.09 1.13 3.72 -0.56 -4.34 117.46 112.32 3hk5 n PHE 404 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3hk5 n PHE 404 Cb 0.10 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 3hk5 n PHE 404 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3hk5 n SER 405 N -1.27 -1.37 -0.02 4.37 2.88 -0.43 -1.85 113.62 115.93 3hk5 n SER 405 Ca 0.09 0.32 -0.01 0.00 -1.33 0.00 0.00 58.87 57.94 3hk5 n SER 405 Cb 0.33 1.54 0.28 0.00 -0.75 0.00 0.00 64.21 65.60 3hk5 n SER 405 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3hk5 h ARG 406 N 0.00 0.57 -0.72 -1.46 3.08 -0.71 -2.88 114.38 112.26 3hk5 h ARG 406 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3hk5 h ARG 406 Cb 0.00 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 3hk5 h ARG 406 CO 0.00 0.58 0.46 -0.91 -1.07 0.00 0.00 179.97 179.03 3hk5 h ASN 407 N 0.55 0.85 0.68 7.04 2.35 -1.33 0.39 115.58 126.11 3hk5 h ASN 407 Ca 0.12 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3hk5 h ASN 407 Cb 0.33 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.49 3hk5 h ASN 407 CO 0.01 0.64 -0.33 0.15 -1.65 0.00 0.00 177.43 176.25 3hk5 h PHE 408 N 0.98 -0.85 -0.63 1.19 3.57 -1.74 -0.87 116.94 118.58 3hk5 h PHE 408 Ca 0.26 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.78 3hk5 h PHE 408 Cb -0.08 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3hk5 h PHE 408 CO -0.02 -0.50 0.42 -1.49 -2.23 0.00 0.00 178.31 174.49 3hk5 h TRP 409 N -1.05 0.71 -0.29 0.41 4.06 -1.45 -0.97 115.95 117.37 3hk5 h TRP 409 Ca -0.09 0.02 -0.15 0.00 2.06 0.00 0.00 58.89 60.73 3hk5 h TRP 409 Cb 0.73 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.65 3hk5 h TRP 409 CO -0.01 0.41 -0.42 -0.09 -3.56 0.00 0.00 178.44 174.77 3hk5 h ARG 410 N 0.73 0.70 -0.31 0.49 2.43 -0.84 -0.03 114.38 117.55 3hk5 h ARG 410 Ca 0.26 -0.37 -0.16 0.00 -0.81 0.00 0.00 59.98 58.89 3hk5 h ARG 410 Cb 0.12 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3hk5 h ARG 410 CO -0.07 0.99 -0.44 0.35 -1.51 0.00 0.00 179.97 179.29 3hk5 h PHE 411 N 0.57 1.04 0.00 2.20 3.57 -0.12 -3.10 116.94 121.10 3hk5 h PHE 411 Ca 0.04 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.20 3hk5 h PHE 411 Cb 0.96 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.49 3hk5 h PHE 411 CO 0.05 1.15 0.00 -0.39 -2.23 0.00 0.00 178.31 176.89 3hk5 h VAL 412 N 0.63 0.00 -0.39 1.41 -1.51 -1.23 -3.47 116.25 111.69 3hk5 h VAL 412 Ca 0.03 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3hk5 h VAL 412 Cb 1.04 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 3hk5 h VAL 412 CO 0.10 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.05 3hk5 n GLY 413 N 0.69 1.02 0.00 5.19 0.00 -0.92 -4.76 105.19 106.41 3hk5 n GLY 413 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3hk5 n GLY 413 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86