#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hky h LYS 1 N 0.00 0.58 0.00 2.12 6.56 -2.02 -3.44 116.57 120.38 2hky h LYS 1 Ca 0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 2hky h LYS 1 Cb 0.00 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.55 2hky h LYS 1 CO 0.00 0.48 0.00 -2.30 -2.06 0.00 0.00 179.45 175.57 2hky n PRO 2 N -4.71 0.38 -3.60 3.15 -0.02 -1.26 -5.07 135.00 123.86 2hky n PRO 2 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2hky n PRO 2 Cb 0.09 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.51 2hky n PRO 2 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2hky s LYS 3 N -1.06 0.26 0.00 -0.52 -2.85 -1.26 -4.90 119.74 109.41 2hky s LYS 3 Ca 0.00 0.47 0.00 0.00 -1.00 0.00 0.00 55.97 55.44 2hky s LYS 3 Cb 0.00 0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.86 2hky s LYS 3 CO 0.00 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.80 2hky n GLY 4 N 3.69 0.36 2.34 0.59 0.00 -1.26 -4.88 105.19 106.03 2hky n GLY 4 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 2hky n GLY 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2hky n MET 5 N -1.72 0.83 -0.89 1.61 2.81 -1.26 -4.95 117.12 113.54 2hky n MET 5 Ca 0.00 -2.88 -0.36 0.00 -1.81 0.00 0.00 57.70 52.65 2hky n MET 5 Cb 0.15 -1.38 0.08 0.00 -0.71 0.00 0.00 33.22 31.37 2hky n MET 5 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2hky n THR 6 N 1.02 0.00 0.05 2.03 -1.04 -1.26 -4.02 114.28 111.05 2hky n THR 6 Ca 0.19 -0.24 -0.14 0.00 -2.04 0.00 0.00 64.05 61.81 2hky n THR 6 Cb 0.60 -0.24 -0.08 0.00 -1.82 0.00 0.00 70.33 68.79 2hky n THR 6 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2hky h SER 7 N -1.33 -1.49 -0.96 8.00 0.02 -1.97 0.11 113.55 115.94 2hky h SER 7 Ca -0.44 0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.70 2hky h SER 7 Cb 1.34 0.58 -0.05 0.00 0.14 0.00 0.00 62.40 64.41 2hky h SER 7 CO 0.28 -0.49 0.63 -1.28 -1.14 0.00 0.00 176.83 174.83 2hky h SER 8 N -0.61 1.08 -0.21 3.07 0.87 -1.85 -2.29 113.55 113.61 2hky h SER 8 Ca 0.04 -0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2hky h SER 8 Cb 0.69 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 2hky h SER 8 CO -0.36 0.77 -0.13 1.56 -0.53 0.00 0.00 176.83 178.15 2hky h GLN 9 N 1.27 -0.11 -0.70 2.24 1.08 -1.38 0.37 115.11 117.88 2hky h GLN 9 Ca 0.36 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.65 2hky h GLN 9 Cb -0.11 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 2hky h GLN 9 CO -0.09 -0.07 0.46 2.35 -0.95 0.00 0.00 178.83 180.53 2hky h TRP 10 N -0.11 0.65 0.00 2.96 -0.00 -0.35 0.14 115.95 119.23 2hky h TRP 10 Ca 0.12 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.03 2hky h TRP 10 Cb 0.29 -0.21 0.00 0.00 -0.00 0.00 0.00 29.16 29.24 2hky h TRP 10 CO -0.29 0.32 -0.03 1.19 -0.00 0.00 0.00 178.44 179.63 2hky n PHE 11 N -4.49 0.06 0.03 2.65 3.01 0.44 -2.05 117.46 117.12 2hky n PHE 11 Ca 0.11 0.02 -0.03 0.00 1.01 0.00 0.00 57.45 58.56 2hky n PHE 11 Cb 0.31 -0.51 -0.09 0.00 -0.01 0.00 0.00 39.48 39.17 2hky n PHE 11 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2hky h LYS 12 N 0.00 0.00 0.00 -1.08 5.09 0.24 0.50 116.57 121.32 2hky h LYS 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2hky h LYS 12 Cb 0.52 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.85 2hky h LYS 12 CO 0.00 0.46 -0.32 -0.84 -2.09 0.00 0.00 179.45 176.66 2hky h ILE 13 N 0.00 0.00 0.00 0.07 3.07 -1.35 0.23 117.51 119.52 2hky h ILE 13 Ca -0.16 -0.94 0.00 0.00 1.55 0.00 0.00 64.86 65.31 2hky h ILE 13 Cb 1.71 1.78 0.00 0.00 -0.27 0.00 0.00 36.82 40.04 2hky h ILE 13 CO 0.07 0.00 -1.11 0.00 -1.05 0.00 0.00 178.15 176.06 2hky n GLN 14 N -2.88 0.72 -0.68 0.16 10.64 -0.87 -4.66 117.38 119.81 2hky n GLN 14 Ca 0.03 -0.04 -0.00 0.00 -1.83 0.00 0.00 57.00 55.16 2hky n GLN 14 Cb 0.53 -1.41 -0.01 0.00 -0.86 0.00 0.00 30.24 28.49 2hky n GLN 14 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2hky n HIS 15 N -1.61 0.00 -3.51 2.61 8.25 0.18 -4.62 115.22 116.52 2hky n HIS 15 Ca 0.02 -0.13 -0.37 0.00 -0.26 0.00 0.00 57.72 56.98 2hky n HIS 15 Cb 0.34 0.14 -0.08 0.00 1.12 0.00 0.00 29.99 31.50 2hky n HIS 15 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hky s MET 16 N 0.00 4.14 -0.01 -0.41 0.23 0.80 -1.37 119.30 122.68 2hky s MET 16 Ca 0.04 0.00 0.16 0.00 -1.03 0.00 0.00 55.69 54.86 2hky s MET 16 Cb 0.04 -3.53 -0.19 0.00 -1.53 0.00 0.00 34.83 29.63 2hky s MET 16 CO -0.02 0.03 0.60 0.94 -2.03 0.00 0.00 175.02 174.54 2hky n GLN 17 N 4.31 1.46 -0.21 3.16 7.27 0.11 -4.15 117.38 129.33 2hky n GLN 17 Ca -0.11 -0.03 0.30 0.00 0.07 0.00 0.00 57.00 57.22 2hky n GLN 17 Cb 0.51 -1.28 0.57 0.00 2.41 0.00 0.00 30.24 32.45 2hky n GLN 17 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 2hky h PRO 18 N 0.00 0.00 0.00 3.69 0.11 -1.90 -3.37 132.00 130.53 2hky h PRO 18 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2hky h PRO 18 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2hky h PRO 18 CO 0.00 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.66 2hky n SER 19 N -3.48 0.00 0.17 -2.05 3.41 -1.26 -5.05 113.62 105.36 2hky n SER 19 Ca 0.23 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.92 2hky n SER 19 Cb 1.38 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 65.41 2hky n SER 19 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2hky h PRO 20 N 0.00 0.00 -0.19 4.33 0.13 -1.73 -3.48 132.00 131.06 2hky h PRO 20 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2hky h PRO 20 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2hky h PRO 20 CO 0.00 0.14 0.00 1.04 -0.23 0.00 0.00 178.00 178.95 2hky n GLN 21 N -3.04 0.00 -0.49 0.86 6.02 -1.26 -4.40 117.38 115.07 2hky n GLN 21 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2hky n GLN 21 Cb 0.60 -0.17 0.00 0.00 1.02 0.00 0.00 30.24 31.69 2hky n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hky n ALA 22 N -0.09 -2.48 0.10 -1.58 0.00 -1.26 -3.69 120.51 111.50 2hky n ALA 22 Ca 0.00 0.13 0.17 0.00 0.00 0.00 0.00 53.44 53.74 2hky n ALA 22 Cb 0.04 -0.76 0.70 0.00 0.00 0.00 0.00 19.45 19.43 2hky n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hky h ASN 24 N 0.00 -0.40 0.49 0.00 2.35 -1.82 0.57 115.58 116.77 2hky h ASN 24 Ca 0.17 0.11 -0.30 0.00 -0.55 0.00 0.00 56.30 55.73 2hky h ASN 24 Cb 0.70 0.24 0.01 0.00 0.05 0.00 0.00 38.32 39.32 2hky h ASN 24 CO -0.00 -0.14 -1.39 0.77 -1.65 0.00 0.00 177.43 175.01 2hky h SER 25 N -0.05 0.51 -0.90 5.81 4.64 -0.99 -2.38 113.55 120.20 2hky h SER 25 Ca 0.16 -0.59 0.05 0.00 -0.47 0.00 0.00 61.79 60.94 2hky h SER 25 Cb 0.29 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.16 2hky h SER 25 CO -0.36 1.47 0.59 0.00 -0.87 0.00 0.00 176.83 177.66 2hky h ALA 26 N 0.45 1.48 0.00 5.18 0.00 0.14 0.66 119.26 127.16 2hky h ALA 26 Ca -0.20 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 2hky h ALA 26 Cb 2.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 2hky h ALA 26 CO 0.21 0.41 -0.63 1.98 0.00 0.00 0.00 179.25 181.21 2hky h MET 27 N 1.07 0.00 -0.22 0.00 -1.53 0.08 -3.16 114.93 111.17 2hky h MET 27 Ca 0.37 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.63 2hky h MET 27 Cb 0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.16 2hky h MET 27 CO -0.13 0.63 0.11 0.87 0.14 0.00 0.00 176.91 178.53 2hky h LYS 28 N 0.00 0.29 0.00 0.39 1.79 -0.32 0.20 116.57 118.92 2hky h LYS 28 Ca -0.01 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2hky h LYS 28 Cb 1.43 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 2hky h LYS 28 CO 0.08 0.23 0.00 -0.97 -1.08 0.00 0.00 179.45 177.71 2hky h ASN 29 N 0.30 0.00 0.51 0.86 -0.73 -1.41 -2.74 115.58 112.37 2hky h ASN 29 Ca 0.08 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 57.96 2hky h ASN 29 Cb 0.03 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.58 2hky h ASN 29 CO -0.01 0.00 -1.61 0.40 -0.37 0.00 0.00 177.43 175.83 2hky h ILE 30 N 0.00 0.99 0.00 2.57 1.08 -0.79 -2.83 117.51 118.53 2hky h ILE 30 Ca 0.00 -2.78 -0.02 0.00 -0.39 0.00 0.00 64.86 61.67 2hky h ILE 30 Cb 0.59 2.55 -0.00 0.00 -3.07 0.00 0.00 36.82 36.89 2hky h ILE 30 CO 0.00 0.66 -0.11 -0.55 -0.69 0.00 0.00 178.15 177.47 2hky h ASN 31 N 0.02 0.00 0.48 1.72 -1.07 -0.87 0.27 115.58 116.13 2hky h ASN 31 Ca -0.26 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 55.81 2hky h ASN 31 Cb 1.98 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 38.21 2hky h ASN 31 CO 0.10 0.11 -1.58 0.07 0.07 0.00 0.00 177.43 176.20 2hky h LYS 32 N 0.00 0.16 0.00 4.14 5.09 -1.55 0.34 116.57 124.76 2hky h LYS 32 Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 60.65 60.46 2hky h LYS 32 Cb 0.65 0.10 0.00 0.00 0.10 0.00 0.00 32.23 33.08 2hky h LYS 32 CO 0.01 0.95 -0.38 0.72 -2.09 0.00 0.00 179.45 178.66 2hky n HIS 33 N -3.34 0.40 0.08 0.07 8.25 -1.06 -3.72 115.22 115.90 2hky n HIS 33 Ca -0.17 0.12 0.01 0.00 -0.26 0.00 0.00 57.72 57.42 2hky n HIS 33 Cb 1.04 -0.58 -0.00 0.00 1.12 0.00 0.00 29.99 31.56 2hky n HIS 33 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2hky n THR 34 N -1.89 0.00 -2.15 1.59 -2.24 0.93 -4.98 114.28 105.54 2hky n THR 34 Ca 0.05 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.21 2hky n THR 34 Cb 0.40 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 2hky n THR 34 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2hky n LYS 35 N -0.49 -1.92 -3.56 -0.78 4.76 0.12 -4.88 118.16 111.42 2hky n LYS 35 Ca 0.01 0.70 -0.11 0.00 -2.87 0.00 0.00 58.31 56.03 2hky n LYS 35 Cb 0.04 -5.21 -0.05 0.00 -1.84 0.00 0.00 35.03 27.98 2hky n LYS 35 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2hky s ARG 36 N -4.52 0.69 -0.68 1.97 6.06 -1.05 -5.01 118.95 116.41 2hky s ARG 36 Ca 0.00 0.07 -0.20 0.00 -2.50 0.00 0.00 55.73 53.11 2hky s ARG 36 Cb 0.00 0.32 0.11 0.00 0.06 0.00 0.00 34.95 35.44 2hky s ARG 36 CO 0.00 -0.24 0.86 0.00 -2.50 0.00 0.00 175.30 173.42 2hky n LYS 38 N 6.63 0.02 0.00 0.00 4.76 -1.26 -4.60 118.16 123.70 2hky n LYS 38 Ca -0.01 0.48 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 2hky n LYS 38 Cb 0.45 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 2hky n LYS 38 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2hky n ASP 39 N -1.60 0.00 -3.70 4.39 5.68 -1.26 -4.89 116.55 115.17 2hky n ASP 39 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.18 2hky n ASP 39 Cb 0.63 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.52 2hky n ASP 39 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2hky s LEU 40 N 0.00 -0.06 -0.13 -2.12 1.98 -1.26 -0.88 118.68 116.22 2hky s LEU 40 Ca 0.00 0.99 -0.07 0.00 -2.89 0.00 0.00 54.13 52.16 2hky s LEU 40 Cb 0.00 1.59 0.05 0.00 0.66 0.00 0.00 46.19 48.49 2hky s LEU 40 CO 0.00 -0.19 0.30 0.20 -1.89 0.00 0.00 176.35 174.77 2hky s ASN 41 N 0.91 -0.35 0.14 3.68 -0.87 -1.00 -4.98 114.94 112.48 2hky s ASN 41 Ca -0.05 0.64 0.05 0.00 -1.57 0.00 0.00 52.86 51.93 2hky s ASN 41 Cb -0.06 0.53 -0.04 0.00 -0.02 0.00 0.00 41.25 41.66 2hky s ASN 41 CO -0.07 -0.17 0.06 0.42 -2.57 0.00 0.00 177.10 174.76 2hky s THR 42 N 1.30 4.17 0.08 1.60 -4.23 -1.26 -1.12 115.64 116.17 2hky s THR 42 Ca -0.09 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 2hky s THR 42 Cb -0.10 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 2hky s THR 42 CO -0.10 -0.03 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.53 2hky s PHE 43 N -1.61 0.78 0.16 3.99 0.40 0.70 -4.34 117.98 118.06 2hky s PHE 43 Ca 0.29 -0.87 0.11 0.00 -0.60 0.00 0.00 56.93 55.86 2hky s PHE 43 Cb -0.10 -0.47 -0.04 0.00 0.51 0.00 0.00 43.02 42.92 2hky s PHE 43 CO 0.21 -0.18 -0.24 -0.51 0.70 0.00 0.00 175.22 175.19 2hky s LEU 44 N -2.76 2.42 -0.87 -0.37 1.43 -0.47 -0.03 118.68 118.02 2hky s LEU 44 Ca 0.07 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 2hky s LEU 44 Cb 0.03 -1.23 0.29 0.00 0.03 0.00 0.00 46.19 45.31 2hky s LEU 44 CO -0.05 0.15 1.19 1.57 0.23 0.00 0.00 176.35 179.45 2hky n HIS 45 N 0.58 2.96 -3.70 0.29 -0.00 -0.81 0.06 115.22 114.61 2hky n HIS 45 Ca -0.15 -3.29 -0.11 0.00 0.46 0.00 0.00 57.72 54.63 2hky n HIS 45 Cb 0.54 -0.92 -0.12 0.00 -0.12 0.00 0.00 29.99 29.38 2hky n HIS 45 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 2hky s GLU 46 N -2.88 0.32 0.05 1.57 2.56 -1.26 -4.65 118.70 114.42 2hky s GLU 46 Ca 0.37 0.72 -0.36 0.00 0.00 0.00 0.00 54.97 55.69 2hky s GLU 46 Cb 0.12 -0.04 -0.15 0.00 2.00 0.00 0.00 34.13 36.06 2hky s GLU 46 CO 0.02 -0.17 1.49 -2.30 -0.56 0.00 0.00 175.26 173.75 2hky n PRO 47 N 4.35 1.51 0.31 4.30 -0.02 -1.26 -4.39 135.00 139.81 2hky n PRO 47 Ca -0.23 0.55 0.03 0.00 -2.02 0.00 0.00 63.50 61.83 2hky n PRO 47 Cb 0.54 -2.25 0.14 0.00 -0.02 0.00 0.00 33.50 31.91 2hky n PRO 47 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2hky h PHE 48 N 5.59 0.00 0.01 6.00 0.04 -1.99 2.49 116.94 129.08 2hky h PHE 48 Ca -0.47 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.06 2hky h PHE 48 Cb 1.31 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.46 2hky h PHE 48 CO 0.65 0.00 -0.99 0.77 -0.60 0.00 0.00 178.31 178.14 2hky h SER 49 N 0.00 0.63 0.17 2.17 0.02 -1.97 0.42 113.55 114.99 2hky h SER 49 Ca 0.00 -0.51 -0.34 0.00 -0.84 0.00 0.00 61.79 60.10 2hky h SER 49 Cb 1.70 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 64.05 2hky h SER 49 CO 0.00 1.32 -1.69 0.28 -1.14 0.00 0.00 176.83 175.60 2hky h SER 50 N 0.27 0.58 -0.02 3.07 0.02 0.38 -2.87 113.55 114.98 2hky h SER 50 Ca -0.10 -0.93 -0.06 0.00 -0.84 0.00 0.00 61.79 59.87 2hky h SER 50 Cb 1.63 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 2hky h SER 50 CO 0.18 1.76 -0.14 0.58 -1.14 0.00 0.00 176.83 178.06 2hky h VAL 51 N 0.03 1.20 0.30 2.27 2.07 -0.94 0.33 116.25 121.52 2hky h VAL 51 Ca -0.34 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 2hky h VAL 51 Cb 2.03 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 2hky h VAL 51 CO 0.16 0.29 -0.28 0.00 0.02 0.00 0.00 177.57 177.75 2hky h ALA 52 N 1.56 -0.60 -0.14 1.67 0.00 -0.18 0.17 119.26 121.73 2hky h ALA 52 Ca 0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2hky h ALA 52 Cb 0.44 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2hky h ALA 52 CO 0.03 -0.87 -0.20 0.00 0.00 0.00 0.00 179.25 178.21 2hky h ALA 53 N -0.02 1.40 -0.50 0.00 0.00 -1.19 -1.46 119.26 117.49 2hky h ALA 53 Ca -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2hky h ALA 53 Cb 0.55 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2hky h ALA 53 CO -0.04 0.41 0.33 1.15 0.00 0.00 0.00 179.25 181.10 2hky h THR 54 N 0.22 1.11 0.00 0.00 2.02 0.91 0.16 112.91 117.34 2hky h THR 54 Ca 0.04 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2hky h THR 54 Cb 0.48 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2hky h THR 54 CO 0.03 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.04 2hky n GLN 56 N 0.29 5.63 -1.48 0.00 7.27 0.57 -4.75 117.38 124.92 2hky n GLN 56 Ca 0.00 -0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.75 2hky n GLN 56 Cb 0.35 -0.66 0.07 0.00 2.41 0.00 0.00 30.24 32.42 2hky n GLN 56 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2hky s THR 57 N -1.32 3.42 -0.37 1.69 -1.32 -1.11 -4.80 115.64 111.82 2hky s THR 57 Ca 0.01 0.52 -0.34 0.00 -1.21 0.00 0.00 61.69 60.67 2hky s THR 57 Cb 0.02 -3.05 -0.14 0.00 -1.51 0.00 0.00 72.50 67.81 2hky s THR 57 CO 0.10 -0.54 1.47 -2.65 -2.21 0.00 0.00 174.62 170.79 2hky n PRO 58 N -3.09 0.00 0.00 7.08 -0.02 -1.26 -4.75 135.00 132.95 2hky n PRO 58 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2hky n PRO 58 Cb 0.53 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 2hky n PRO 58 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2hky n LYS 59 N 4.78 0.73 -3.60 -0.52 -0.00 -1.26 -4.53 118.16 113.76 2hky n LYS 59 Ca 0.35 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.56 2hky n LYS 59 Cb -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 34.95 2hky n LYS 59 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2hky s ILE 60 N -0.17 0.06 -0.83 0.58 -4.36 -1.22 -4.96 121.20 110.29 2hky s ILE 60 Ca 0.00 -0.47 -0.21 0.00 -0.26 0.00 0.00 60.65 59.71 2hky s ILE 60 Cb 0.00 -1.13 -0.18 0.00 1.25 0.00 0.00 42.46 42.40 2hky s ILE 60 CO 0.00 -0.26 1.96 0.00 0.24 0.00 0.00 174.94 176.88 2hky n ALA 61 N -0.20 0.31 -0.47 2.27 0.00 -1.26 -2.73 120.51 118.42 2hky n ALA 61 Ca -0.16 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.47 2hky n ALA 61 Cb 0.64 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.33 2hky n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hky n LYS 63 N -1.92 0.00 -0.63 0.00 4.76 -1.26 -4.80 118.16 114.31 2hky n LYS 63 Ca 0.00 0.50 -0.00 0.00 -2.87 0.00 0.00 58.31 55.94 2hky n LYS 63 Cb 0.00 -1.03 -0.00 0.00 -1.84 0.00 0.00 35.03 32.16 2hky n LYS 63 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2hky n ASN 64 N -1.99 0.01 0.00 4.39 2.85 -1.26 -4.90 115.26 114.36 2hky n ASN 64 Ca 0.00 -1.60 0.00 0.00 -0.11 0.00 0.00 54.58 52.87 2hky n ASN 64 Cb 0.00 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 40.93 2hky n ASN 64 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2hky n GLY 65 N 0.05 -0.38 0.25 8.20 0.00 -1.26 -4.98 105.19 107.06 2hky n GLY 65 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2hky n GLY 65 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2hky h ASP 66 N 0.00 0.80 -4.17 1.61 3.32 -1.82 -3.46 116.42 112.70 2hky h ASP 66 Ca 0.00 -0.27 -0.21 0.00 0.02 0.00 0.00 57.03 56.57 2hky h ASP 66 Cb 0.00 -0.21 0.10 0.00 0.22 0.00 0.00 39.33 39.44 2hky h ASP 66 CO 0.00 0.87 -0.46 0.29 -1.72 0.00 0.00 179.24 178.22 2hky n LYS 67 N -4.40 -4.25 0.00 3.56 5.02 -1.11 -4.82 118.16 112.17 2hky n LYS 67 Ca 0.01 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2hky n LYS 67 Cb 0.26 -4.57 0.00 0.00 -0.02 0.00 0.00 35.03 30.71 2hky n LYS 67 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2hky n ASN 68 N -2.07 0.97 -4.97 4.39 2.85 -1.24 -4.71 115.26 110.47 2hky n ASN 68 Ca -0.14 -1.05 -0.21 0.00 -0.11 0.00 0.00 54.58 53.07 2hky n ASN 68 Cb 0.59 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.60 2hky n ASN 68 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2hky s HIS 70 N -2.22 -0.61 -0.15 0.00 3.76 0.03 -3.43 115.29 112.68 2hky s HIS 70 Ca 0.42 1.22 -0.15 0.00 -0.15 0.00 0.00 55.06 56.40 2hky s HIS 70 Cb -0.09 0.12 -0.04 0.00 1.11 0.00 0.00 32.58 33.67 2hky s HIS 70 CO 0.32 -0.43 0.34 -1.14 -0.85 0.00 0.00 174.74 172.99 2hky s GLN 71 N 2.51 4.28 0.29 1.40 0.74 -1.25 -0.72 119.66 126.91 2hky s GLN 71 Ca 0.00 0.19 -0.28 0.00 0.05 0.00 0.00 55.36 55.32 2hky s GLN 71 Cb -0.12 -3.43 -0.14 0.00 1.10 0.00 0.00 33.01 30.41 2hky s GLN 71 CO -0.11 0.21 0.96 0.43 -0.55 0.00 0.00 175.29 176.23 2hky n SER 72 N 3.63 1.05 -0.85 6.67 7.64 0.31 -4.75 113.62 127.33 2hky n SER 72 Ca -0.10 1.17 0.00 0.00 1.01 0.00 0.00 58.87 60.94 2hky n SER 72 Cb 0.52 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2hky n SER 72 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2hky n HIS 73 N 0.17 0.00 -1.22 1.43 -0.00 -1.26 -4.75 115.22 109.59 2hky n HIS 73 Ca 0.10 -0.25 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 2hky n HIS 73 Cb 0.32 -0.17 0.00 0.00 -0.00 0.00 0.00 29.99 30.14 2hky n HIS 73 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2hky n GLY 74 N 0.49 -1.72 3.67 -1.41 0.00 -1.26 -5.12 105.19 99.84 2hky n GLY 74 Ca 0.00 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 2hky n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hky s PRO 75 N -1.62 4.33 -0.08 1.61 0.04 -1.26 -3.20 135.00 134.82 2hky s PRO 75 Ca 0.00 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 2hky s PRO 75 Cb 0.00 -3.61 -0.03 0.00 0.04 0.00 0.00 34.50 30.89 2hky s PRO 75 CO 0.00 -0.51 -0.03 0.54 0.04 0.00 0.00 177.00 177.04 2hky s VAL 76 N 2.66 4.02 -0.99 -0.36 0.11 -0.45 -4.68 120.40 120.71 2hky s VAL 76 Ca 0.50 -0.36 -0.25 0.00 -2.93 0.00 0.00 61.98 58.94 2hky s VAL 76 Cb -0.20 -2.67 -0.13 0.00 -1.53 0.00 0.00 36.38 31.85 2hky s VAL 76 CO 0.15 0.60 2.12 -0.94 -3.33 0.00 0.00 175.10 173.70 2hky s SER 77 N -0.85 4.30 0.74 3.54 1.04 -1.26 -2.31 113.70 118.89 2hky s SER 77 Ca 0.13 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.78 2hky s SER 77 Cb -0.11 -2.57 0.14 0.00 0.10 0.00 0.00 66.02 63.58 2hky s SER 77 CO 0.02 -3.69 1.01 0.00 0.98 0.00 0.00 173.24 171.56 2hky n LEU 78 N 16.94 0.00 -3.57 2.42 -0.00 0.12 -1.92 117.00 131.00 2hky n LEU 78 Ca 0.43 -2.21 -0.24 0.00 -0.00 0.00 0.00 56.01 53.99 2hky n LEU 78 Cb 0.46 -0.65 -0.16 0.00 -0.00 0.00 0.00 43.42 43.08 2hky n LEU 78 CO 0.60 -0.98 -0.29 -0.89 -0.00 0.00 0.00 177.39 175.83 2hky s THR 79 N -3.15 -0.16 -0.48 1.47 2.01 0.95 -0.82 115.64 115.47 2hky s THR 79 Ca 0.68 -0.21 -0.23 0.00 0.31 0.00 0.00 61.69 62.24 2hky s THR 79 Cb -0.04 -0.65 0.03 0.00 0.01 0.00 0.00 72.50 71.86 2hky s THR 79 CO 0.45 -0.30 0.80 -0.04 -0.69 0.00 0.00 174.62 174.83 2hky s MET 80 N 2.19 3.35 0.13 4.92 -1.94 0.78 -0.21 119.30 128.52 2hky s MET 80 Ca 0.04 -0.25 -0.08 0.00 -1.71 0.00 0.00 55.69 53.69 2hky s MET 80 Cb -0.16 -3.99 -0.06 0.00 2.01 0.00 0.00 34.83 32.63 2hky s MET 80 CO -0.13 -1.22 0.43 0.00 -0.01 0.00 0.00 175.02 174.09 2hky s LYS 82 N -2.34 0.80 -0.44 0.00 -2.85 -1.06 -2.37 119.74 111.48 2hky s LYS 82 Ca 0.39 -1.10 -0.29 0.00 -1.00 0.00 0.00 55.97 53.97 2hky s LYS 82 Cb -0.13 -0.49 0.01 0.00 -2.06 0.00 0.00 37.83 35.16 2hky s LYS 82 CO 0.21 0.08 1.40 -1.17 0.10 0.00 0.00 175.35 175.97 2hky s LEU 83 N -2.32 3.56 0.03 2.77 2.96 -0.06 -2.30 118.68 123.32 2hky s LEU 83 Ca 0.03 0.74 -0.23 0.00 -0.22 0.00 0.00 54.13 54.45 2hky s LEU 83 Cb -0.04 -3.48 -0.16 0.00 0.50 0.00 0.00 46.19 43.01 2hky s LEU 83 CO -0.00 -1.47 1.41 0.71 -1.32 0.00 0.00 176.35 175.69 2hky h THR 84 N 6.45 1.29 0.00 3.68 1.35 -0.94 -3.48 112.91 121.26 2hky h THR 84 Ca -0.27 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 2hky h THR 84 Cb 1.10 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 2hky h THR 84 CO 1.10 0.26 0.00 -1.20 -0.25 0.00 0.00 175.52 175.43 2hky n SER 85 N -4.81 0.00 0.00 5.36 7.64 -1.11 -4.99 113.62 115.71 2hky n SER 85 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2hky n SER 85 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2hky n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hky n GLY 86 N -0.83 2.52 0.00 0.23 0.00 -1.26 -1.62 105.19 104.23 2hky n GLY 86 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2hky n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hky n LYS 87 N 0.00 0.00 -0.07 1.61 4.76 -1.26 -4.68 118.16 118.53 2hky n LYS 87 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 2hky n LYS 87 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 2hky n LYS 87 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 2hky n TYR 88 N 0.00 0.00 1.27 2.13 9.36 -1.26 -3.92 117.16 124.74 2hky n TYR 88 Ca 0.00 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.35 2hky n TYR 88 Cb 0.00 -0.52 0.43 0.00 -0.63 0.00 0.00 39.34 38.61 2hky n TYR 88 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2hky n PRO 89 N -3.12 0.80 -1.33 2.98 -0.04 -1.26 -4.11 135.00 128.91 2hky n PRO 89 Ca -0.25 -0.44 0.03 0.00 -0.04 0.00 0.00 63.50 62.80 2hky n PRO 89 Cb 0.74 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.72 2hky n PRO 89 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2hky n ASN 90 N -0.72 0.73 -4.70 3.54 2.85 -1.26 -5.08 115.26 110.62 2hky n ASN 90 Ca 0.13 -1.99 -0.42 0.00 -0.11 0.00 0.00 54.58 52.19 2hky n ASN 90 Cb 0.33 -0.24 -0.03 0.00 1.24 0.00 0.00 39.78 41.08 2hky n ASN 90 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2hky s ARG 92 N 1.56 2.90 0.31 0.00 1.70 -0.64 -4.93 118.95 119.85 2hky s ARG 92 Ca 0.46 -0.54 0.09 0.00 -0.47 0.00 0.00 55.73 55.27 2hky s ARG 92 Cb -0.19 -2.65 -0.05 0.00 -0.57 0.00 0.00 34.95 31.50 2hky s ARG 92 CO 0.20 0.60 0.05 0.71 -1.08 0.00 0.00 175.30 175.78 2hky s TYR 93 N -0.64 2.66 -0.04 5.89 1.51 -1.26 -0.25 117.35 125.22 2hky s TYR 93 Ca 0.10 -0.34 0.07 0.00 -1.01 0.00 0.00 57.07 55.89 2hky s TYR 93 Cb -0.12 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.28 2hky s TYR 93 CO 0.02 0.48 -0.25 0.15 -1.11 0.00 0.00 175.55 174.84 2hky s LYS 94 N -3.75 2.34 -0.19 -0.62 -0.14 -0.97 -3.80 119.74 112.60 2hky s LYS 94 Ca 0.35 -0.90 -0.18 0.00 -1.36 0.00 0.00 55.97 53.87 2hky s LYS 94 Cb -0.03 -2.12 -0.03 0.00 -1.68 0.00 0.00 37.83 33.96 2hky s LYS 94 CO 0.21 0.48 0.50 -1.83 -0.76 0.00 0.00 175.35 173.94 2hky s GLU 95 N -0.41 4.20 -0.36 1.68 -1.05 -1.26 -2.58 118.70 118.93 2hky s GLU 95 Ca 0.04 0.38 -0.06 0.00 -0.15 0.00 0.00 54.97 55.18 2hky s GLU 95 Cb -0.12 -3.55 0.05 0.00 -0.44 0.00 0.00 34.13 30.08 2hky s GLU 95 CO 0.01 -0.11 0.14 0.21 0.95 0.00 0.00 175.26 176.46 2hky s LYS 96 N 1.50 2.54 -0.46 -4.83 2.20 -0.85 -4.97 119.74 114.88 2hky s LYS 96 Ca 0.23 -1.30 -0.29 0.00 -0.36 0.00 0.00 55.97 54.25 2hky s LYS 96 Cb -0.15 -3.51 0.02 0.00 -1.51 0.00 0.00 37.83 32.67 2hky s LYS 96 CO 0.09 -0.76 1.31 0.50 -0.36 0.00 0.00 175.35 176.14 2hky s ARG 97 N 1.37 3.59 0.34 4.03 3.52 -1.26 -0.15 118.95 130.39 2hky s ARG 97 Ca -0.00 0.74 0.09 0.00 -0.13 0.00 0.00 55.73 56.43 2hky s ARG 97 Cb -0.21 -4.00 -0.06 0.00 -1.56 0.00 0.00 34.95 29.13 2hky s ARG 97 CO 0.02 -1.55 -0.07 -1.14 -0.81 0.00 0.00 175.30 171.75 2hky s GLN 98 N 4.84 1.89 -0.23 5.12 2.00 0.00 -4.96 119.66 128.32 2hky s GLN 98 Ca 0.55 -1.88 -0.01 0.00 -2.00 0.00 0.00 55.36 52.02 2hky s GLN 98 Cb -0.11 -1.77 0.07 0.00 0.80 0.00 0.00 33.01 32.00 2hky s GLN 98 CO 0.32 0.14 0.00 -0.80 -0.50 0.00 0.00 175.29 174.45 2hky s ASN 99 N -3.64 3.55 0.17 6.67 0.02 -1.26 0.16 114.94 120.61 2hky s ASN 99 Ca 0.33 -1.13 -0.21 0.00 -1.02 0.00 0.00 52.86 50.83 2hky s ASN 99 Cb 0.02 -0.93 0.06 0.00 0.02 0.00 0.00 41.25 40.41 2hky s ASN 99 CO 0.17 -0.29 0.58 -0.54 0.02 0.00 0.00 177.10 177.04 2hky s LYS 100 N 1.58 1.31 -0.29 -0.60 1.02 -0.98 -4.73 119.74 117.06 2hky s LYS 100 Ca -0.02 -0.60 -0.26 0.00 0.02 0.00 0.00 55.97 55.12 2hky s LYS 100 Cb -0.18 0.57 0.00 0.00 -0.52 0.00 0.00 37.83 37.70 2hky s LYS 100 CO -0.09 -0.57 0.90 -1.12 -0.92 0.00 0.00 175.35 173.54 2hky s SER 101 N -2.79 6.81 0.30 2.83 0.01 -1.19 -1.35 113.70 118.32 2hky s SER 101 Ca 0.03 0.91 0.05 0.00 1.31 0.00 0.00 55.95 58.25 2hky s SER 101 Cb -0.01 -2.46 0.05 0.00 0.21 0.00 0.00 66.02 63.81 2hky s SER 101 CO -0.10 -0.67 0.40 0.00 0.41 0.00 0.00 173.24 173.29 2hky n TYR 102 N 6.35 -2.51 -3.85 2.43 0.18 -1.26 -0.26 117.16 118.23 2hky n TYR 102 Ca 0.07 -1.11 -0.29 0.00 1.88 0.00 0.00 57.90 58.45 2hky n TYR 102 Cb 0.47 -0.28 -0.16 0.00 -0.38 0.00 0.00 39.34 38.99 2hky n TYR 102 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 2hky s VAL 103 N -0.91 1.06 0.05 -3.48 1.01 0.10 -0.53 120.40 117.70 2hky s VAL 103 Ca 0.31 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.46 2hky s VAL 103 Cb -0.02 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2hky s VAL 103 CO 0.19 -0.12 -0.09 0.54 0.00 0.00 0.00 175.10 175.62 2hky s VAL 104 N 1.62 3.45 0.52 2.92 0.11 0.10 0.32 120.40 129.44 2hky s VAL 104 Ca -0.03 -1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.01 2hky s VAL 104 Cb -0.18 -2.54 0.02 0.00 -1.53 0.00 0.00 36.38 32.15 2hky s VAL 104 CO -0.07 0.28 0.76 0.00 -3.33 0.00 0.00 175.10 172.74 2hky s ALA 105 N -1.07 3.71 0.13 1.54 0.00 0.10 -0.79 121.76 125.38 2hky s ALA 105 Ca 0.19 -1.10 0.06 0.00 0.00 0.00 0.00 51.96 51.11 2hky s ALA 105 Cb -0.11 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 2hky s ALA 105 CO 0.10 -0.62 -0.14 0.00 0.00 0.00 0.00 175.76 175.09 2hky s LYS 107 N -2.73 0.95 0.22 0.00 1.02 -0.91 -4.88 119.74 113.41 2hky s LYS 107 Ca 0.10 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 2hky s LYS 107 Cb -0.05 0.40 -0.09 0.00 -0.52 0.00 0.00 37.83 37.57 2hky s LYS 107 CO 0.03 -0.34 1.38 -1.25 -0.92 0.00 0.00 175.35 174.26 2hky s PRO 108 N -3.84 4.32 -0.53 -1.68 0.04 -1.26 -0.42 135.00 131.64 2hky s PRO 108 Ca 0.04 2.18 -0.35 0.00 0.04 0.00 0.00 61.00 62.91 2hky s PRO 108 Cb 0.04 -3.16 -0.15 0.00 0.04 0.00 0.00 34.50 31.27 2hky s PRO 108 CO -0.11 -0.35 2.31 -2.30 0.04 0.00 0.00 177.00 176.58 2hky n PRO 109 N 2.62 0.62 0.00 0.56 -0.02 -1.26 -4.87 135.00 132.65 2hky n PRO 109 Ca 0.07 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2hky n PRO 109 Cb 0.41 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2hky n PRO 109 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2hky n GLN 110 N 8.21 0.00 0.00 -0.52 1.13 -1.26 -4.70 117.38 120.23 2hky n GLN 110 Ca 0.49 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 2hky n GLN 110 Cb 0.17 -0.42 0.00 0.00 0.11 0.00 0.00 30.24 30.10 2hky n GLN 110 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 2hky n LYS 111 N 0.00 0.80 0.01 -1.09 2.85 -1.26 -4.78 118.16 114.69 2hky n LYS 111 Ca 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.25 2hky n LYS 111 Cb 0.00 -0.63 0.27 0.00 -0.65 0.00 0.00 35.03 34.02 2hky n LYS 111 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2hky h LYS 112 N 0.00 0.50 0.00 -1.58 3.11 -1.94 -3.47 116.57 113.19 2hky h LYS 112 Ca 0.00 -0.13 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 2hky h LYS 112 Cb 0.25 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.42 2hky h LYS 112 CO 0.00 0.59 0.00 -3.47 -2.81 0.00 0.00 179.45 173.76 2hky n ASP 113 N -4.23 0.00 0.21 4.20 -0.08 -1.26 -4.62 116.55 110.77 2hky n ASP 113 Ca 0.01 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.43 2hky n ASP 113 Cb 0.29 0.00 0.74 0.00 2.34 0.00 0.00 41.12 44.49 2hky n ASP 113 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2hky h SER 114 N 2.25 0.00 0.00 1.67 0.02 -1.99 -3.42 113.55 112.09 2hky h SER 114 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hky h SER 114 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2hky h SER 114 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2hky n GLN 115 N -2.47 0.00 0.00 3.45 10.64 -1.26 -5.04 117.38 122.70 2hky n GLN 115 Ca -0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 2hky n GLN 115 Cb 0.06 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.44 2hky n GLN 115 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2hky n GLN 116 N -2.77 0.00 0.00 2.61 10.64 -1.26 -5.08 117.38 121.52 2hky n GLN 116 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2hky n GLN 116 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2hky n GLN 116 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2hky n PHE 117 N 0.00 0.00 -0.10 2.61 3.01 -1.26 -4.87 117.46 116.85 2hky n PHE 117 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2hky n PHE 117 Cb 0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.01 2hky n PHE 117 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 2hky n HIS 118 N -2.61 0.00 0.00 1.38 8.25 -1.26 -4.83 115.22 116.15 2hky n HIS 118 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2hky n HIS 118 Cb 0.00 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.07 2hky n HIS 118 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 2hky n LEU 119 N 0.00 0.00 -3.48 2.41 -0.00 -1.14 -4.55 117.00 110.25 2hky n LEU 119 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.69 2hky n LEU 119 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 2hky n LEU 119 CO 0.00 0.00 -0.86 1.33 -0.00 0.00 0.00 177.39 177.86 2hky n VAL 120 N 0.00 0.00 -2.45 1.47 0.24 0.44 -3.82 118.33 114.20 2hky n VAL 120 Ca 0.00 -0.42 -0.40 0.00 -2.04 0.00 0.00 64.34 61.48 2hky n VAL 120 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 2hky n VAL 120 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2hky s PRO 121 N -1.31 3.20 0.00 7.34 0.04 -1.26 -2.13 135.00 140.88 2hky s PRO 121 Ca 0.40 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.02 2hky s PRO 121 Cb -0.27 -4.66 0.00 0.00 0.04 0.00 0.00 34.50 29.61 2hky s PRO 121 CO 0.64 -2.34 0.00 1.55 0.04 0.00 0.00 177.00 176.89 2hky n VAL 122 N 6.77 0.00 -2.70 -0.36 3.14 -0.88 -4.17 118.33 120.13 2hky n VAL 122 Ca 0.18 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.34 2hky n VAL 122 Cb 0.50 -0.59 0.07 0.00 -1.06 0.00 0.00 33.84 32.75 2hky n VAL 122 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 2hky s HIS 123 N 0.00 2.14 -0.26 1.45 5.65 -1.22 -4.59 115.29 118.46 2hky s HIS 123 Ca 0.00 -0.24 0.02 0.00 0.25 0.00 0.00 55.06 55.08 2hky s HIS 123 Cb 0.00 -2.75 0.06 0.00 -1.18 0.00 0.00 32.58 28.71 2hky s HIS 123 CO 0.00 -1.22 -0.06 -1.17 -0.65 0.00 0.00 174.74 171.64 2hky s LEU 124 N -4.88 3.07 0.04 8.88 2.96 -1.26 0.01 118.68 127.51 2hky s LEU 124 Ca 0.61 -1.36 -0.20 0.00 -0.22 0.00 0.00 54.13 52.96 2hky s LEU 124 Cb -0.08 -1.34 -0.14 0.00 0.50 0.00 0.00 46.19 45.13 2hky s LEU 124 CO 0.41 -0.24 1.35 -0.78 -1.32 0.00 0.00 176.35 175.77 2hky h ASP 125 N 7.86 0.39 -5.71 3.68 3.58 0.47 -3.47 116.42 123.22 2hky h ASP 125 Ca -0.17 -0.48 0.29 0.00 0.42 0.00 0.00 57.03 57.09 2hky h ASP 125 Cb 1.05 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.94 2hky h ASP 125 CO 0.44 0.79 0.82 0.00 -2.88 0.00 0.00 179.24 178.41 2hky s ARG 126 N -4.31 0.65 -0.04 0.28 1.70 -0.85 -4.96 118.95 111.42 2hky s ARG 126 Ca -0.14 -0.43 0.06 0.00 -0.47 0.00 0.00 55.73 54.75 2hky s ARG 126 Cb 0.05 0.18 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 2hky s ARG 126 CO 0.76 -0.31 -0.22 0.08 -1.08 0.00 0.00 175.30 174.53 2hky s VAL 127 N -2.03 2.40 0.00 4.99 1.01 -1.26 0.03 120.40 125.54 2hky s VAL 127 Ca 0.28 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2hky s VAL 127 Cb -0.01 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.48 2hky s VAL 127 CO 0.01 0.58 0.28 -0.11 0.00 0.00 0.00 175.10 175.87