#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hky s LYS 1 N 0.00 3.14 0.40 3.17 0.00 -1.26 -5.01 119.74 120.18 2hky s LYS 1 Ca 0.00 1.16 -0.03 0.00 0.00 0.00 0.00 55.97 57.09 2hky s LYS 1 Cb 0.00 -2.01 0.05 0.00 0.00 0.00 0.00 37.83 35.87 2hky s LYS 1 CO 0.00 -0.95 0.12 -2.30 0.00 0.00 0.00 175.35 172.22 2hky n PRO 2 N -2.38 0.57 -3.59 1.78 -0.02 -1.26 -5.05 135.00 125.06 2hky n PRO 2 Ca 0.09 -0.20 -0.02 0.00 -2.02 0.00 0.00 63.50 61.35 2hky n PRO 2 Cb 0.53 -0.66 -0.06 0.00 -0.02 0.00 0.00 33.50 33.30 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 -1.84 0.40 -0.10 -0.52 -2.85 -1.26 -4.89 119.74 108.69 2hky s LYS 3 Ca 0.09 0.78 0.00 0.00 -1.00 0.00 0.00 55.97 55.84 2hky s LYS 3 Cb -0.02 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 2hky s LYS 3 CO 0.08 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.84 2hky n GLY 4 N 4.15 0.42 2.47 0.59 0.00 -1.26 -4.87 105.19 106.70 2hky n GLY 4 Ca -0.16 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.90 1.06 -0.90 1.61 2.81 -1.26 -4.89 117.12 113.65 2hky n MET 5 Ca -0.01 -2.99 -0.35 0.00 -1.81 0.00 0.00 57.70 52.54 2hky n MET 5 Cb 0.17 -1.30 0.08 0.00 -0.71 0.00 0.00 33.22 31.46 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 0.09 0.00 -0.10 2.03 -1.04 -1.26 -3.84 114.28 110.16 2hky n THR 6 Ca 0.14 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.05 61.72 2hky n THR 6 Cb 0.74 -0.26 -0.07 0.00 -1.82 0.00 0.00 70.33 68.91 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 -1.29 -1.62 0.16 8.00 0.02 -1.96 0.29 113.55 117.15 2hky h SER 7 Ca -0.44 0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 2hky h SER 7 Cb 1.31 0.67 -0.01 0.00 0.14 0.00 0.00 62.40 64.52 2hky h SER 7 CO 0.28 -0.41 -0.17 0.28 -1.14 0.00 0.00 176.83 175.67 2hky h SER 8 N -0.42 0.02 0.08 3.07 0.02 -1.86 -1.90 113.55 112.57 2hky h SER 8 Ca 0.09 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2hky h SER 8 Cb 0.61 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2hky h SER 8 CO -0.54 0.20 -0.04 1.56 -1.14 0.00 0.00 176.83 176.87 2hky h GLN 9 N 0.02 -0.11 -0.47 3.45 1.08 -0.85 0.23 115.11 118.45 2hky h GLN 9 Ca 0.00 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2hky h GLN 9 Cb 0.32 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 2hky h GLN 9 CO 0.02 0.18 0.31 2.35 -0.95 0.00 0.00 178.83 180.75 2hky h TRP 10 N -0.40 0.58 0.00 2.96 -0.00 -0.36 0.16 115.95 118.89 2hky h TRP 10 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2hky h TRP 10 Cb 0.34 -0.19 0.00 0.00 -0.00 0.00 0.00 29.16 29.30 2hky h TRP 10 CO 0.02 0.36 -0.01 1.19 -0.00 0.00 0.00 178.44 180.00 2hky n PHE 11 N -4.47 0.30 0.04 2.65 3.01 -0.74 -2.10 117.46 116.16 2hky n PHE 11 Ca 0.04 0.09 -0.02 0.00 1.01 0.00 0.00 57.45 58.57 2hky n PHE 11 Cb 0.08 -0.64 -0.08 0.00 -0.01 0.00 0.00 39.48 38.83 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 0.15 0.43 116.57 121.16 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 0.58 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.91 2hky h LYS 12 CO 0.00 0.46 -0.28 -0.84 -2.09 0.00 0.00 179.45 176.70 2hky h ILE 13 N 0.00 0.00 0.00 0.07 3.07 -1.34 0.21 117.51 119.52 2hky h ILE 13 Ca -0.14 -0.91 0.00 0.00 1.55 0.00 0.00 64.86 65.35 2hky h ILE 13 Cb 1.67 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 39.99 2hky h ILE 13 CO 0.07 0.00 -1.15 0.00 -1.05 0.00 0.00 178.15 176.02 2hky n GLN 14 N -2.85 0.63 -0.74 0.16 10.64 -0.89 -4.67 117.38 119.66 2hky n GLN 14 Ca 0.03 -0.04 -0.01 0.00 -1.83 0.00 0.00 57.00 55.15 2hky n GLN 14 Cb 0.52 -1.42 -0.01 0.00 -0.86 0.00 0.00 30.24 28.46 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 -1.63 0.00 -3.66 2.61 8.25 0.15 -4.69 115.22 116.25 2hky n HIS 15 Ca 0.02 -0.17 -0.36 0.00 -0.26 0.00 0.00 57.72 56.95 2hky n HIS 15 Cb 0.35 0.17 -0.08 0.00 1.12 0.00 0.00 29.99 31.55 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 4.18 -0.01 -0.41 0.23 0.73 -1.88 119.30 122.14 2hky s MET 16 Ca 0.05 -0.15 0.15 0.00 -1.03 0.00 0.00 55.69 54.71 2hky s MET 16 Cb 0.05 -3.45 -0.20 0.00 -1.53 0.00 0.00 34.83 29.70 2hky s MET 16 CO -0.02 0.22 0.54 0.94 -2.03 0.00 0.00 175.02 174.66 2hky n GLN 17 N 3.74 1.40 -0.14 3.16 7.27 0.52 -4.12 117.38 129.20 2hky n GLN 17 Ca -0.15 -0.05 0.27 0.00 0.07 0.00 0.00 57.00 57.14 2hky n GLN 17 Cb 0.52 -1.28 0.53 0.00 2.41 0.00 0.00 30.24 32.42 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 -1.89 -3.37 132.00 130.54 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 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 2hky h PRO 18 CO 0.00 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.24 2hky n SER 19 N -3.37 0.00 0.16 -2.05 2.88 -1.26 -5.05 113.62 104.93 2hky n SER 19 Ca 0.19 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.82 2hky n SER 19 Cb 1.30 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.84 2hky n SER 19 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2hky h PRO 20 N 0.00 0.00 -0.04 -1.46 0.13 -1.73 -3.48 132.00 125.41 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 0.13 0.00 1.04 -0.23 0.00 0.00 178.00 178.94 2hky n GLN 21 N -3.01 0.00 -0.37 0.86 6.02 -1.26 -4.37 117.38 115.25 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 -0.05 0.00 0.00 1.02 0.00 0.00 30.24 31.82 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 -0.02 -2.69 -0.10 -1.58 0.00 -1.26 -3.61 120.51 111.24 2hky n ALA 22 Ca 0.00 0.10 0.24 0.00 0.00 0.00 0.00 53.44 53.77 2hky n ALA 22 Cb 0.01 -0.69 0.69 0.00 0.00 0.00 0.00 19.45 19.46 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 0.04 -0.65 0.49 0.00 -1.24 -1.81 0.59 115.58 112.99 2hky h ASN 24 Ca 0.35 0.14 -0.30 0.00 0.71 0.00 0.00 56.30 57.20 2hky h ASN 24 Cb 1.34 0.33 0.02 0.00 0.73 0.00 0.00 38.32 40.74 2hky h ASN 24 CO -0.02 -0.23 -1.34 -1.28 -1.29 0.00 0.00 177.43 173.27 2hky h SER 25 N -0.16 0.59 -1.01 1.15 0.87 -0.68 -2.34 113.55 111.97 2hky h SER 25 Ca 0.16 -0.63 0.08 0.00 -1.23 0.00 0.00 61.79 60.17 2hky h SER 25 Cb 0.41 -0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 62.11 2hky h SER 25 CO -0.41 1.49 0.65 0.00 -0.53 0.00 0.00 176.83 178.03 2hky h ALA 26 N 0.42 1.44 0.00 6.23 0.00 0.01 0.24 119.26 127.59 2hky h ALA 26 Ca -0.18 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2hky h ALA 26 Cb 2.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 2hky h ALA 26 CO 0.23 0.38 -0.56 1.98 0.00 0.00 0.00 179.25 181.28 2hky h MET 27 N 1.13 0.00 0.00 0.00 -1.53 0.15 -3.03 114.93 111.65 2hky h MET 27 Ca 0.45 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.71 2hky h MET 27 Cb 0.27 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.32 2hky h MET 27 CO -0.20 0.56 -0.02 0.87 0.14 0.00 0.00 176.91 178.26 2hky h LYS 28 N 0.00 0.00 -0.22 0.39 1.79 0.04 0.22 116.57 118.79 2hky h LYS 28 Ca -0.01 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 2hky h LYS 28 Cb 1.24 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.87 2hky h LYS 28 CO 0.07 0.02 -0.40 -0.97 -1.08 0.00 0.00 179.45 177.09 2hky h ASN 29 N 0.00 0.53 0.43 0.86 -0.00 -1.33 -2.06 115.58 114.02 2hky h ASN 29 Ca -0.00 -0.23 -0.22 0.00 -0.00 0.00 0.00 56.30 55.85 2hky h ASN 29 Cb 0.03 -0.15 -0.00 0.00 -0.00 0.00 0.00 38.32 38.20 2hky h ASN 29 CO 0.00 0.88 -0.93 0.40 -0.00 0.00 0.00 177.43 177.78 2hky h ILE 30 N 0.42 1.44 0.00 2.57 2.04 -1.22 -2.88 117.51 119.87 2hky h ILE 30 Ca 0.04 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.37 2hky h ILE 30 Cb 0.88 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 2hky h ILE 30 CO 0.08 0.75 0.00 -0.55 0.00 0.00 0.00 178.15 178.42 2hky h ASN 31 N 0.18 0.00 0.40 1.72 -0.00 -0.86 0.16 115.58 117.18 2hky h ASN 31 Ca -0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 56.30 55.92 2hky h ASN 31 Cb 1.57 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.89 2hky h ASN 31 CO 0.15 0.00 -1.55 0.07 -0.00 0.00 0.00 177.43 176.10 2hky h LYS 32 N 0.00 0.29 0.00 4.14 5.09 -1.21 -1.33 116.57 123.55 2hky h LYS 32 Ca 0.00 -0.50 -0.00 0.00 0.09 0.00 0.00 60.65 60.24 2hky h LYS 32 Cb 0.52 0.19 -0.00 0.00 0.10 0.00 0.00 32.23 33.04 2hky h LYS 32 CO 0.00 1.17 -0.90 1.12 -2.09 0.00 0.00 179.45 178.75 2hky h HIS 33 N 0.08 0.00 0.00 0.07 2.07 -1.30 -3.33 115.15 112.74 2hky h HIS 33 Ca -0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 2hky h HIS 33 Cb 2.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.02 2hky h HIS 33 CO 0.07 0.01 -1.05 0.25 -3.07 0.00 0.00 177.93 174.14 2hky n THR 34 N -2.73 0.00 -2.40 6.12 -2.24 0.52 -4.95 114.28 108.60 2hky n THR 34 Ca 0.00 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.56 2hky n THR 34 Cb 0.55 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.71 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 -1.54 -1.80 -3.58 -0.78 4.76 -0.51 -4.91 118.16 109.79 2hky n LYS 35 Ca 0.03 0.92 -0.07 0.00 -2.87 0.00 0.00 58.31 56.33 2hky n LYS 35 Cb 0.34 -5.58 -0.04 0.00 -1.84 0.00 0.00 35.03 27.92 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 -5.03 0.49 -0.66 1.97 6.06 -1.17 -5.02 118.95 115.59 2hky s ARG 36 Ca 0.00 -0.01 -0.20 0.00 -2.50 0.00 0.00 55.73 53.02 2hky s ARG 36 Cb 0.00 0.23 0.10 0.00 0.06 0.00 0.00 34.95 35.34 2hky s ARG 36 CO 0.00 -0.18 0.84 0.00 -2.50 0.00 0.00 175.30 173.46 2hky n LYS 38 N 6.71 0.02 0.00 0.00 4.76 -1.26 -4.61 118.16 123.78 2hky n LYS 38 Ca -0.03 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 2hky n LYS 38 Cb 0.44 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 2hky n LYS 38 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2hky n ASP 39 N -1.61 0.00 -3.77 4.39 8.00 -1.26 -4.90 116.55 117.39 2hky n ASP 39 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 2hky n ASP 39 Cb 0.63 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.62 2hky n ASP 39 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2hky s LEU 40 N 0.00 0.90 -0.20 0.64 1.98 -1.26 -0.34 118.68 120.41 2hky s LEU 40 Ca 0.00 0.54 -0.12 0.00 -2.89 0.00 0.00 54.13 51.65 2hky s LEU 40 Cb 0.00 1.01 0.06 0.00 0.66 0.00 0.00 46.19 47.92 2hky s LEU 40 CO 0.00 -0.13 0.48 0.20 -1.89 0.00 0.00 176.35 175.02 2hky s ASN 41 N 0.03 -0.60 0.14 3.68 -0.87 -1.02 -4.97 114.94 111.33 2hky s ASN 41 Ca -0.01 1.04 0.06 0.00 -1.57 0.00 0.00 52.86 52.38 2hky s ASN 41 Cb -0.02 0.95 -0.04 0.00 -0.02 0.00 0.00 41.25 42.11 2hky s ASN 41 CO 0.01 -0.20 0.02 0.42 -2.57 0.00 0.00 177.10 174.78 2hky s THR 42 N 1.19 3.94 0.07 1.60 -4.23 -1.26 -0.96 115.64 116.00 2hky s THR 42 Ca -0.08 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 2hky s THR 42 Cb -0.07 -2.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 2hky s THR 42 CO -0.11 -0.01 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.55 2hky s PHE 43 N -1.55 0.71 0.16 3.99 0.40 0.66 -4.41 117.98 117.94 2hky s PHE 43 Ca 0.27 -0.98 0.11 0.00 -0.60 0.00 0.00 56.93 55.74 2hky s PHE 43 Cb -0.10 -0.45 -0.04 0.00 0.51 0.00 0.00 43.02 42.93 2hky s PHE 43 CO 0.19 -0.26 -0.24 -0.51 0.70 0.00 0.00 175.22 175.10 2hky s LEU 44 N -2.94 2.42 -0.89 -0.37 1.43 -0.79 -0.07 118.68 117.48 2hky s LEU 44 Ca 0.09 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 2hky s LEU 44 Cb 0.06 -1.23 0.31 0.00 0.03 0.00 0.00 46.19 45.36 2hky s LEU 44 CO -0.07 0.15 1.36 1.57 0.23 0.00 0.00 176.35 179.59 2hky n HIS 45 N 0.55 3.00 -3.73 0.29 -0.00 -0.77 -0.36 115.22 114.20 2hky n HIS 45 Ca -0.15 -3.12 -0.12 0.00 0.46 0.00 0.00 57.72 54.78 2hky n HIS 45 Cb 0.55 -0.96 -0.12 0.00 -0.12 0.00 0.00 29.99 29.33 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 -3.36 0.25 0.16 1.57 2.56 -1.26 -4.69 118.70 113.93 2hky s GLU 46 Ca 0.39 0.53 -0.33 0.00 0.00 0.00 0.00 54.97 55.56 2hky s GLU 46 Cb 0.16 -0.05 -0.12 0.00 2.00 0.00 0.00 34.13 36.11 2hky s GLU 46 CO -0.03 -0.14 1.70 -0.35 -0.56 0.00 0.00 175.26 175.88 2hky n PRO 47 N 3.97 2.52 0.33 4.30 -0.04 -1.26 -4.44 135.00 140.38 2hky n PRO 47 Ca -0.23 0.91 0.02 0.00 -0.04 0.00 0.00 63.50 64.17 2hky n PRO 47 Cb 0.54 -2.74 0.10 0.00 -0.04 0.00 0.00 33.50 31.37 2hky n PRO 47 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2hky h PHE 48 N 6.86 0.00 -0.04 0.54 0.04 -1.99 3.04 116.94 125.39 2hky h PHE 48 Ca -0.44 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.11 2hky h PHE 48 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 2hky h PHE 48 CO 0.67 0.00 -0.86 0.77 -0.60 0.00 0.00 178.31 178.29 2hky h SER 49 N 0.00 0.57 0.05 2.17 0.02 -1.97 0.36 113.55 114.74 2hky h SER 49 Ca 0.00 -0.42 -0.21 0.00 -0.84 0.00 0.00 61.79 60.32 2hky h SER 49 Cb 1.83 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 64.18 2hky h SER 49 CO 0.00 1.20 -1.08 -1.28 -1.14 0.00 0.00 176.83 174.53 2hky h SER 50 N 0.28 0.16 -0.22 3.07 0.87 0.50 -2.88 113.55 115.33 2hky h SER 50 Ca -0.06 -0.75 0.04 0.00 -1.23 0.00 0.00 61.79 59.78 2hky h SER 50 Cb 1.48 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.38 2hky h SER 50 CO 0.15 1.45 0.15 0.58 -0.53 0.00 0.00 176.83 178.64 2hky h VAL 51 N -0.70 0.95 0.53 2.23 2.07 -0.88 0.57 116.25 121.02 2hky h VAL 51 Ca -0.26 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2hky h VAL 51 Cb 1.44 0.82 0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2hky h VAL 51 CO -0.05 0.02 -0.25 0.00 0.02 0.00 0.00 177.57 177.30 2hky h ALA 52 N 1.88 -0.71 0.00 1.67 0.00 -0.31 -1.60 119.26 120.19 2hky h ALA 52 Ca 0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2hky h ALA 52 Cb 0.25 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2hky h ALA 52 CO -0.01 -0.88 -0.17 0.00 0.00 0.00 0.00 179.25 178.19 2hky h ALA 53 N -0.31 1.29 -0.80 0.00 0.00 -0.95 -2.14 119.26 116.35 2hky h ALA 53 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2hky h ALA 53 Cb 0.57 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2hky h ALA 53 CO 0.12 0.21 0.52 1.15 0.00 0.00 0.00 179.25 181.25 2hky h THR 54 N 0.00 1.21 0.00 0.00 2.02 0.93 0.12 112.91 117.20 2hky h THR 54 Ca -0.00 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2hky h THR 54 Cb 0.42 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 2hky h THR 54 CO 0.02 0.21 0.00 0.00 0.37 0.00 0.00 175.52 176.12 2hky n GLN 56 N 0.43 0.88 -1.61 0.00 0.00 0.43 -4.86 117.38 112.65 2hky n GLN 56 Ca 0.00 -0.08 -0.33 0.00 -0.00 0.00 0.00 57.00 56.58 2hky n GLN 56 Cb 0.29 -1.45 0.07 0.00 0.00 0.00 0.00 30.24 29.15 2hky n GLN 56 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2hky s THR 57 N -2.83 2.92 0.01 1.69 -1.32 -1.08 -4.85 115.64 110.18 2hky s THR 57 Ca -0.08 0.43 -0.33 0.00 -1.21 0.00 0.00 61.69 60.50 2hky s THR 57 Cb 0.08 -2.95 -0.17 0.00 -1.51 0.00 0.00 72.50 67.96 2hky s THR 57 CO 0.75 -0.27 0.88 -2.65 -2.21 0.00 0.00 174.62 171.12 2hky n PRO 58 N -2.59 0.00 0.00 7.08 -0.02 -1.26 -4.87 135.00 133.34 2hky n PRO 58 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2hky n PRO 58 Cb 0.51 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 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 1.24 1.93 -3.71 -0.52 -0.00 -1.26 -4.59 118.16 111.26 2hky n LYS 59 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.35 2hky n LYS 59 Cb 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.03 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 0.61 0.06 -0.90 0.58 -4.36 0.15 -4.85 121.20 112.48 2hky s ILE 60 Ca 0.00 -0.49 -0.23 0.00 -0.26 0.00 0.00 60.65 59.67 2hky s ILE 60 Cb 0.00 -0.84 -0.20 0.00 1.25 0.00 0.00 42.46 42.67 2hky s ILE 60 CO 0.00 -0.27 2.03 0.00 0.24 0.00 0.00 174.94 176.94 2hky n ALA 61 N 0.80 0.28 -0.38 2.27 0.00 -1.26 -2.62 120.51 119.60 2hky n ALA 61 Ca -0.20 -1.89 0.00 0.00 0.00 0.00 0.00 53.44 51.36 2hky n ALA 61 Cb 0.58 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 17.08 2hky n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hky h LYS 63 N 0.00 -0.05 0.00 0.00 1.57 -1.94 -3.45 116.57 112.69 2hky h LYS 63 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2hky h LYS 63 Cb 0.00 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2hky h LYS 63 CO 0.00 -0.03 -0.15 0.09 -0.57 0.00 0.00 179.45 178.78 2hky n ASN 64 N -2.72 -0.18 0.00 0.86 4.13 -1.25 -4.89 115.26 111.21 2hky n ASN 64 Ca -0.01 -1.36 0.00 0.00 1.68 0.00 0.00 54.58 54.89 2hky n ASN 64 Cb 0.02 0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 2hky n ASN 64 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2hky n GLY 65 N 0.02 -0.37 0.36 7.41 0.00 -1.26 -4.99 105.19 106.36 2hky n GLY 65 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 0.81 -6.17 1.61 5.19 -1.83 -3.45 116.42 112.57 2hky h ASP 66 Ca 0.00 0.08 -0.43 0.00 -0.62 0.00 0.00 57.03 56.06 2hky h ASP 66 Cb 0.00 -0.07 0.05 0.00 0.18 0.00 0.00 39.33 39.49 2hky h ASP 66 CO 0.00 0.33 -0.87 0.29 -3.12 0.00 0.00 179.24 175.87 2hky n LYS 67 N -4.71 -3.48 0.00 3.56 5.02 -1.08 -4.78 118.16 112.69 2hky n LYS 67 Ca 0.22 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 2hky n LYS 67 Cb 0.52 -4.82 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 -2.96 0.02 -4.58 4.39 4.05 -1.23 -4.72 115.26 110.22 2hky n ASN 68 Ca -0.24 -0.37 -0.23 0.00 0.45 0.00 0.00 54.58 54.19 2hky n ASN 68 Cb 0.66 0.69 -0.08 0.00 1.23 0.00 0.00 39.78 42.27 2hky n ASN 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2hky s HIS 70 N -2.40 -0.46 -0.20 0.00 -3.43 -1.02 0.30 115.29 108.07 2hky s HIS 70 Ca 0.31 0.70 -0.07 0.00 -0.80 0.00 0.00 55.06 55.20 2hky s HIS 70 Cb -0.05 0.31 -0.03 0.00 -1.43 0.00 0.00 32.58 31.37 2hky s HIS 70 CO 0.18 -0.56 0.05 1.14 -2.00 0.00 0.00 174.74 173.55 2hky s GLN 71 N -1.62 3.81 0.26 -0.38 0.00 -1.25 -1.70 119.66 118.79 2hky s GLN 71 Ca -0.10 -0.42 -0.13 0.00 -0.00 0.00 0.00 55.36 54.71 2hky s GLN 71 Cb -0.02 -3.20 -0.10 0.00 0.00 0.00 0.00 33.01 29.69 2hky s GLN 71 CO 0.05 0.10 0.04 0.43 0.00 0.00 0.00 175.29 175.91 2hky n SER 72 N 4.05 -1.86 -1.01 12.60 7.64 -0.46 -4.63 113.62 129.94 2hky n SER 72 Ca -0.16 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2hky n SER 72 Cb 0.52 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 -0.67 0.00 -2.21 1.43 -0.00 -1.26 -4.78 115.22 107.73 2hky n HIS 73 Ca 0.07 -0.39 0.00 0.00 -0.00 0.00 0.00 57.72 57.40 2hky n HIS 73 Cb 0.26 -0.22 0.00 0.00 -0.00 0.00 0.00 29.99 30.03 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 0.64 -1.78 3.67 -1.41 0.00 -1.26 -5.11 105.19 99.94 2hky n GLY 74 Ca 0.00 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.66 4.33 -0.08 1.61 0.04 -1.26 -3.11 135.00 134.86 2hky s PRO 75 Ca 0.00 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 62.42 2hky s PRO 75 Cb 0.00 -3.60 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 2hky s PRO 75 CO 0.00 -0.50 -0.00 0.54 0.04 0.00 0.00 177.00 177.07 2hky s VAL 76 N 2.72 4.29 -1.03 -0.36 0.11 -0.64 -4.66 120.40 120.82 2hky s VAL 76 Ca 0.47 -0.26 -0.25 0.00 -2.93 0.00 0.00 61.98 59.00 2hky s VAL 76 Cb -0.17 -2.80 -0.16 0.00 -1.53 0.00 0.00 36.38 31.72 2hky s VAL 76 CO 0.12 0.61 2.12 -0.44 -3.33 0.00 0.00 175.10 174.17 2hky s SER 77 N -0.88 4.03 0.73 3.54 0.01 -1.26 -2.33 113.70 117.54 2hky s SER 77 Ca 0.13 -0.89 0.01 0.00 1.31 0.00 0.00 55.95 56.51 2hky s SER 77 Cb -0.11 -2.58 0.14 0.00 0.21 0.00 0.00 66.02 63.68 2hky s SER 77 CO 0.02 -4.04 1.00 0.00 0.41 0.00 0.00 173.24 170.64 2hky n LEU 78 N 17.82 0.00 -3.60 2.44 -0.00 0.14 -1.85 117.00 131.94 2hky n LEU 78 Ca 0.43 -2.18 -0.26 0.00 -0.00 0.00 0.00 56.01 54.00 2hky n LEU 78 Cb 0.46 -0.64 -0.17 0.00 -0.00 0.00 0.00 43.42 43.07 2hky n LEU 78 CO 0.60 -0.97 -0.32 -0.89 -0.00 0.00 0.00 177.39 175.80 2hky s THR 79 N -3.11 -0.10 -0.47 1.47 2.01 0.90 -0.42 115.64 115.92 2hky s THR 79 Ca 0.67 -0.21 -0.23 0.00 0.31 0.00 0.00 61.69 62.23 2hky s THR 79 Cb -0.04 -0.61 0.03 0.00 0.01 0.00 0.00 72.50 71.89 2hky s THR 79 CO 0.44 -0.32 0.78 -0.04 -0.69 0.00 0.00 174.62 174.79 2hky s MET 80 N 2.15 3.35 0.17 4.92 -1.94 0.80 -0.25 119.30 128.51 2hky s MET 80 Ca 0.03 -0.23 -0.07 0.00 -1.71 0.00 0.00 55.69 53.72 2hky s MET 80 Cb -0.16 -3.97 -0.06 0.00 2.01 0.00 0.00 34.83 32.65 2hky s MET 80 CO -0.12 -1.17 0.44 0.00 -0.01 0.00 0.00 175.02 174.16 2hky s LYS 82 N -2.71 0.63 -0.42 0.00 -2.85 -1.06 -2.42 119.74 110.90 2hky s LYS 82 Ca 0.43 -1.00 -0.29 0.00 -1.00 0.00 0.00 55.97 54.12 2hky s LYS 82 Cb -0.12 -0.19 0.01 0.00 -2.06 0.00 0.00 37.83 35.47 2hky s LYS 82 CO 0.23 0.00 1.45 -1.17 0.10 0.00 0.00 175.35 175.96 2hky s LEU 83 N -2.22 3.56 0.02 2.77 2.96 0.54 -2.28 118.68 124.03 2hky s LEU 83 Ca -0.01 0.80 -0.24 0.00 -0.22 0.00 0.00 54.13 54.46 2hky s LEU 83 Cb -0.03 -3.48 -0.17 0.00 0.50 0.00 0.00 46.19 43.00 2hky s LEU 83 CO -0.02 -1.49 1.44 0.71 -1.32 0.00 0.00 176.35 175.66 2hky h THR 84 N 6.49 1.26 0.00 3.68 1.35 -0.94 -3.48 112.91 121.26 2hky h THR 84 Ca -0.28 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 2hky h THR 84 Cb 1.11 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2hky h THR 84 CO 1.09 0.21 0.00 -1.54 -0.25 0.00 0.00 175.52 175.03 2hky n SER 85 N -4.90 0.00 0.00 5.36 3.41 -1.11 -5.00 113.62 111.39 2hky n SER 85 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2hky n SER 85 Cb 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2hky n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hky n GLY 86 N -0.89 -0.56 0.00 5.00 0.00 -1.26 -2.63 105.19 104.85 2hky n GLY 86 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2hky n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hky n LYS 87 N 0.00 0.00 -0.06 1.61 2.85 -1.25 -4.81 118.16 116.49 2hky n LYS 87 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 2hky n LYS 87 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 2hky n LYS 87 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 2hky n TYR 88 N 0.00 0.00 1.84 5.58 9.36 -1.26 -3.93 117.16 128.75 2hky n TYR 88 Ca 0.00 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.36 2hky n TYR 88 Cb 0.00 -0.48 0.76 0.00 -0.63 0.00 0.00 39.34 38.99 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 -3.71 1.19 -1.54 2.98 -0.04 -1.26 -3.90 135.00 128.72 2hky n PRO 89 Ca -0.25 -0.28 -0.01 0.00 -0.04 0.00 0.00 63.50 62.92 2hky n PRO 89 Cb 0.63 -1.46 -0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.62 0.16 -4.69 3.54 5.15 -1.26 -5.09 115.26 112.44 2hky n ASN 90 Ca 0.21 -2.02 -0.41 0.00 -0.60 0.00 0.00 54.58 51.76 2hky n ASN 90 Cb 0.17 -0.03 -0.04 0.00 -0.53 0.00 0.00 39.78 39.35 2hky n ASN 90 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2hky s ARG 92 N 1.52 3.48 0.31 0.00 1.70 -1.08 -4.91 118.95 119.97 2hky s ARG 92 Ca 0.42 -0.37 0.09 0.00 -0.47 0.00 0.00 55.73 55.39 2hky s ARG 92 Cb -0.18 -3.00 -0.04 0.00 -0.57 0.00 0.00 34.95 31.16 2hky s ARG 92 CO 0.18 0.50 0.10 0.71 -1.08 0.00 0.00 175.30 175.70 2hky s TYR 93 N -0.29 2.72 -0.04 5.89 1.51 -1.26 -0.26 117.35 125.62 2hky s TYR 93 Ca 0.07 -0.32 0.07 0.00 -1.01 0.00 0.00 57.07 55.88 2hky s TYR 93 Cb -0.12 -1.48 -0.01 0.00 -0.11 0.00 0.00 41.96 40.23 2hky s TYR 93 CO 0.02 0.44 -0.25 0.15 -1.11 0.00 0.00 175.55 174.80 2hky s LYS 94 N -3.79 2.34 -0.21 -0.62 -0.14 -0.96 -3.98 119.74 112.38 2hky s LYS 94 Ca 0.35 -0.91 -0.18 0.00 -1.36 0.00 0.00 55.97 53.87 2hky s LYS 94 Cb -0.04 -2.09 -0.03 0.00 -1.68 0.00 0.00 37.83 33.98 2hky s LYS 94 CO 0.22 0.46 0.50 -1.83 -0.76 0.00 0.00 175.35 173.94 2hky s GLU 95 N -0.35 4.17 -0.36 1.68 -1.05 -1.26 -2.57 118.70 118.96 2hky s GLU 95 Ca 0.02 0.37 -0.06 0.00 -0.15 0.00 0.00 54.97 55.16 2hky s GLU 95 Cb -0.12 -3.57 0.06 0.00 -0.44 0.00 0.00 34.13 30.06 2hky s GLU 95 CO 0.02 -0.16 0.13 0.21 0.95 0.00 0.00 175.26 176.41 2hky s LYS 96 N 1.68 2.52 -0.43 -4.83 2.20 -0.89 -4.97 119.74 115.02 2hky s LYS 96 Ca 0.23 -1.32 -0.29 0.00 -0.36 0.00 0.00 55.97 54.23 2hky s LYS 96 Cb -0.15 -3.49 0.01 0.00 -1.51 0.00 0.00 37.83 32.69 2hky s LYS 96 CO 0.09 -0.76 1.39 0.50 -0.36 0.00 0.00 175.35 176.21 2hky s ARG 97 N 1.35 3.57 0.38 4.03 3.52 -1.26 -0.14 118.95 130.40 2hky s ARG 97 Ca -0.00 0.87 0.08 0.00 -0.13 0.00 0.00 55.73 56.55 2hky s ARG 97 Cb -0.21 -4.02 -0.07 0.00 -1.56 0.00 0.00 34.95 29.09 2hky s ARG 97 CO 0.01 -1.58 -0.03 -0.65 -0.81 0.00 0.00 175.30 172.25 2hky s GLN 98 N 4.93 1.91 -0.24 5.12 1.11 0.44 -4.96 119.66 127.98 2hky s GLN 98 Ca 0.60 -2.03 -0.01 0.00 0.01 0.00 0.00 55.36 53.93 2hky s GLN 98 Cb -0.13 -1.67 0.07 0.00 -1.01 0.00 0.00 33.01 30.27 2hky s GLN 98 CO 0.32 0.03 0.00 0.54 0.01 0.00 0.00 175.29 176.19 2hky s ASN 99 N -3.67 3.60 0.12 5.90 2.20 -1.26 0.24 114.94 122.07 2hky s ASN 99 Ca 0.34 -1.17 -0.21 0.00 -0.94 0.00 0.00 52.86 50.88 2hky s ASN 99 Cb 0.07 -0.95 0.06 0.00 -2.00 0.00 0.00 41.25 38.43 2hky s ASN 99 CO 0.17 -0.29 0.54 -0.54 -2.94 0.00 0.00 177.10 174.04 2hky s LYS 100 N 1.57 1.18 -0.23 3.55 1.02 -0.98 -4.72 119.74 121.12 2hky s LYS 100 Ca -0.01 -0.46 -0.27 0.00 0.02 0.00 0.00 55.97 55.25 2hky s LYS 100 Cb -0.18 0.54 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 2hky s LYS 100 CO -0.10 -0.48 0.94 -1.12 -0.92 0.00 0.00 175.35 173.67 2hky s SER 101 N -2.58 6.97 0.03 2.83 0.01 -1.18 -1.63 113.70 118.15 2hky s SER 101 Ca 0.00 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.48 2hky s SER 101 Cb -0.00 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2hky s SER 101 CO -0.10 -0.59 0.03 0.00 0.41 0.00 0.00 173.24 172.99 2hky n TYR 102 N 6.15 -2.78 -3.79 2.43 0.18 -1.26 -0.14 117.16 117.94 2hky n TYR 102 Ca 0.09 -0.10 -0.28 0.00 1.88 0.00 0.00 57.90 59.49 2hky n TYR 102 Cb 0.47 -0.02 -0.16 0.00 -0.38 0.00 0.00 39.34 39.24 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 0.72 0.80 0.06 -3.48 1.01 0.13 -1.35 120.40 118.28 2hky s VAL 103 Ca 0.03 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.35 2hky s VAL 103 Cb -0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2hky s VAL 103 CO 0.02 -0.15 -0.09 0.54 0.00 0.00 0.00 175.10 175.42 2hky s VAL 104 N 1.74 3.48 0.40 2.92 0.11 -0.69 0.41 120.40 128.77 2hky s VAL 104 Ca -0.02 -1.05 0.04 0.00 -2.93 0.00 0.00 61.98 58.02 2hky s VAL 104 Cb -0.17 -2.57 -0.00 0.00 -1.53 0.00 0.00 36.38 32.10 2hky s VAL 104 CO -0.07 0.24 0.57 0.00 -3.33 0.00 0.00 175.10 172.50 2hky s ALA 105 N -1.11 4.06 0.09 1.54 0.00 0.15 -2.44 121.76 124.05 2hky s ALA 105 Ca 0.20 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 50.87 2hky s ALA 105 Cb -0.11 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 2hky s ALA 105 CO 0.11 -0.22 -0.11 0.00 0.00 0.00 0.00 175.76 175.54 2hky s LYS 107 N -2.47 0.91 0.24 0.00 1.02 -0.74 -4.89 119.74 113.81 2hky s LYS 107 Ca 0.02 -0.91 -0.30 0.00 0.02 0.00 0.00 55.97 54.81 2hky s LYS 107 Cb -0.05 0.37 -0.10 0.00 -0.52 0.00 0.00 37.83 37.53 2hky s LYS 107 CO 0.01 -0.31 1.45 -1.25 -0.92 0.00 0.00 175.35 174.33 2hky s PRO 108 N -3.85 4.26 -0.41 -1.68 0.04 -1.26 -0.36 135.00 131.74 2hky s PRO 108 Ca 0.05 2.30 -0.38 0.00 0.04 0.00 0.00 61.00 63.01 2hky s PRO 108 Cb 0.04 -3.12 -0.14 0.00 0.04 0.00 0.00 34.50 31.33 2hky s PRO 108 CO -0.11 -0.44 2.19 -2.30 0.04 0.00 0.00 177.00 176.38 2hky n PRO 109 N 2.50 0.72 0.00 0.56 -0.02 -1.26 -4.87 135.00 132.63 2hky n PRO 109 Ca 0.07 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2hky n PRO 109 Cb 0.40 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 8.00 0.00 0.00 -0.52 1.13 -1.26 -4.72 117.38 120.01 2hky n GLN 110 Ca 0.46 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.64 2hky n GLN 110 Cb 0.14 -0.71 0.00 0.00 0.11 0.00 0.00 30.24 29.79 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 -0.33 0.07 -0.28 -1.09 2.85 -1.26 -4.81 118.16 113.31 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 -0.52 0.19 0.00 -0.65 0.00 0.00 35.03 34.05 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 1.12 -2.09 -1.58 3.11 -1.95 -3.47 116.57 111.71 2hky h LYS 112 Ca 0.00 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 2hky h LYS 112 Cb 0.04 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 31.02 2hky h LYS 112 CO 0.00 0.75 -0.16 -3.47 -2.81 0.00 0.00 179.45 173.76 2hky n ASP 113 N -4.40 -1.81 -0.14 4.20 -0.08 -1.26 -4.61 116.55 108.45 2hky n ASP 113 Ca 0.09 0.16 0.28 0.00 -1.51 0.00 0.00 54.79 53.81 2hky n ASP 113 Cb 0.03 -0.40 0.72 0.00 2.34 0.00 0.00 41.12 43.81 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 2.10 0.00 0.00 1.67 0.02 -1.99 -3.40 113.55 111.94 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 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 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 -4.09 0.00 0.00 3.45 6.02 -1.26 -5.07 117.38 116.43 2hky n GLN 115 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2hky n GLN 115 Cb 0.95 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.21 2hky n GLN 115 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hky n GLN 116 N -3.28 0.00 0.10 -1.09 10.64 -1.26 -5.09 117.38 117.40 2hky n GLN 116 Ca 0.00 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.13 2hky n GLN 116 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.36 2hky n GLN 116 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.06 175.97 2hky h PHE 117 N 0.00 -0.25 0.00 2.61 -1.00 -1.97 -3.48 116.94 112.85 2hky h PHE 117 Ca 0.00 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2hky h PHE 117 Cb 0.00 0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.64 2hky h PHE 117 CO 0.00 -0.16 0.00 1.58 -1.61 0.00 0.00 178.31 178.12 2hky n HIS 118 N -3.00 0.00 0.00 -0.55 -0.00 -1.26 -4.84 115.22 105.57 2hky n HIS 118 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 2hky n HIS 118 Cb 0.11 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 2hky n HIS 118 CO 0.00 0.00 0.00 1.47 0.46 0.00 0.00 176.34 178.27 2hky n LEU 119 N 0.00 0.00 -3.68 0.27 -0.00 -1.13 -4.46 117.00 108.00 2hky n LEU 119 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.68 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 -0.94 1.33 -0.00 0.00 0.00 177.39 177.78 2hky n VAL 120 N 0.00 0.00 -2.54 1.47 0.24 0.51 -3.74 118.33 114.27 2hky n VAL 120 Ca 0.00 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.44 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 -1.41 3.19 0.00 7.34 0.04 -1.26 -1.79 135.00 141.11 2hky s PRO 121 Ca 0.42 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.27 2hky s PRO 121 Cb -0.28 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.08 2hky s PRO 121 CO 0.68 -2.14 0.00 1.55 0.04 0.00 0.00 177.00 177.13 2hky n VAL 122 N 6.42 0.00 -3.52 -0.36 3.14 -0.66 -4.13 118.33 119.22 2hky n VAL 122 Ca 0.04 0.09 -0.41 0.00 -2.96 0.00 0.00 64.34 61.10 2hky n VAL 122 Cb 0.49 -1.08 -0.10 0.00 -1.06 0.00 0.00 33.84 32.09 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 -0.18 3.23 -0.15 1.45 2.46 -1.24 -4.64 115.29 116.23 2hky s HIS 123 Ca 0.00 -0.24 -0.29 0.00 0.47 0.00 0.00 55.06 55.00 2hky s HIS 123 Cb 0.00 -2.49 -0.05 0.00 -0.13 0.00 0.00 32.58 29.91 2hky s HIS 123 CO 0.00 -0.38 1.78 -1.17 -2.47 0.00 0.00 174.74 172.50 2hky s LEU 124 N 1.73 3.98 0.01 8.88 0.20 -1.26 0.34 118.68 132.55 2hky s LEU 124 Ca 0.06 1.95 -0.21 0.00 0.69 0.00 0.00 54.13 56.62 2hky s LEU 124 Cb -0.18 -3.53 -0.19 0.00 -0.43 0.00 0.00 46.19 41.86 2hky s LEU 124 CO 0.11 -1.29 1.18 0.44 -0.29 0.00 0.00 176.35 176.50 2hky h ASP 125 N 11.24 0.39 -2.19 3.68 5.19 0.79 -3.47 116.42 132.05 2hky h ASP 125 Ca -0.39 -0.65 0.27 0.00 -0.62 0.00 0.00 57.03 55.65 2hky h ASP 125 Cb 1.19 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.53 2hky h ASP 125 CO 0.98 0.98 0.76 -2.11 -3.12 0.00 0.00 179.24 176.72 2hky n ARG 126 N -4.43 0.33 -5.03 3.56 1.85 -0.79 -4.95 116.66 107.20 2hky n ARG 126 Ca -0.08 -0.97 -0.32 0.00 -1.00 0.00 0.00 57.85 55.48 2hky n ARG 126 Cb 0.50 1.46 -0.14 0.00 -1.05 0.00 0.00 32.46 33.23 2hky n ARG 126 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2hky s VAL 127 N -2.04 2.64 0.00 8.89 1.01 -1.26 0.19 120.40 129.83 2hky s VAL 127 Ca 0.26 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2hky s VAL 127 Cb -0.01 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.36 2hky s VAL 127 CO 0.01 0.56 0.23 -0.11 0.00 0.00 0.00 175.10 175.79