#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hky n LYS 1 N 0.00 -1.43 0.00 0.03 4.01 -1.26 -4.95 118.16 114.57 2hky n LYS 1 Ca 0.00 1.07 0.00 0.00 -0.51 0.00 0.00 58.31 58.87 2hky n LYS 1 Cb 0.00 -3.92 0.00 0.00 -0.51 0.00 0.00 35.03 30.60 2hky n LYS 1 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2hky n PRO 2 N -2.32 1.60 -3.60 1.97 -0.02 -1.26 -5.07 135.00 126.30 2hky n PRO 2 Ca -0.17 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.30 2hky n PRO 2 Cb 0.60 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.02 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 -0.20 0.33 -0.09 -0.52 -2.85 -1.26 -4.89 119.74 110.25 2hky s LYS 3 Ca 0.00 0.61 0.00 0.00 -1.00 0.00 0.00 55.97 55.58 2hky s LYS 3 Cb 0.00 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.91 2hky s LYS 3 CO 0.00 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.78 2hky n GLY 4 N 3.89 0.41 2.39 0.59 0.00 -1.26 -4.89 105.19 106.33 2hky n GLY 4 Ca -0.17 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.83 0.77 -0.93 1.61 2.81 -1.26 -4.94 117.12 113.34 2hky n MET 5 Ca -0.01 -2.70 -0.35 0.00 -1.81 0.00 0.00 57.70 52.83 2hky n MET 5 Cb 0.17 -1.33 0.07 0.00 -0.71 0.00 0.00 33.22 31.42 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 1.33 0.00 -0.09 2.03 -1.04 -1.26 -3.81 114.28 111.44 2hky n THR 6 Ca 0.17 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.05 61.69 2hky n THR 6 Cb 0.58 -0.18 -0.07 0.00 -1.82 0.00 0.00 70.33 68.84 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 -1.19 -1.59 0.03 8.00 0.02 -1.96 0.35 113.55 117.22 2hky h SER 7 Ca -0.44 0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 2hky h SER 7 Cb 1.31 0.66 -0.01 0.00 0.14 0.00 0.00 62.40 64.50 2hky h SER 7 CO 0.26 -0.41 -0.07 0.28 -1.14 0.00 0.00 176.83 175.75 2hky h SER 8 N -0.42 0.09 0.14 3.07 0.02 -1.84 -1.75 113.55 112.87 2hky h SER 8 Ca 0.09 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2hky h SER 8 Cb 0.62 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2hky h SER 8 CO -0.53 0.18 -0.07 1.56 -1.14 0.00 0.00 176.83 176.83 2hky h GLN 9 N 0.10 -0.19 -0.57 3.45 1.08 -0.73 0.28 115.11 118.54 2hky h GLN 9 Ca 0.02 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.27 2hky h GLN 9 Cb 0.19 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 2hky h GLN 9 CO 0.01 0.11 0.38 2.35 -0.95 0.00 0.00 178.83 180.72 2hky h TRP 10 N -0.48 0.62 -0.00 2.96 -0.00 -0.36 0.20 115.95 118.90 2hky h TRP 10 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2hky h TRP 10 Cb 0.38 -0.21 0.00 0.00 -0.00 0.00 0.00 29.16 29.33 2hky h TRP 10 CO 0.02 0.36 -0.04 1.19 -0.00 0.00 0.00 178.44 179.97 2hky n PHE 11 N -4.47 0.00 0.04 2.65 3.01 -0.68 -1.96 117.46 116.05 2hky n PHE 11 Ca 0.07 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.50 2hky n PHE 11 Cb 0.16 -0.35 -0.09 0.00 -0.01 0.00 0.00 39.48 39.19 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 0.06 0.00 0.00 -1.08 5.09 0.28 0.38 116.57 121.30 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 0.38 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.71 2hky h LYS 12 CO 0.00 0.47 -0.79 -0.84 -2.09 0.00 0.00 179.45 176.20 2hky h ILE 13 N 0.00 0.00 0.00 0.07 3.07 -1.37 -1.64 117.51 117.64 2hky h ILE 13 Ca -0.15 -0.92 0.00 0.00 1.55 0.00 0.00 64.86 65.34 2hky h ILE 13 Cb 1.70 1.51 0.00 0.00 -0.27 0.00 0.00 36.82 39.76 2hky h ILE 13 CO 0.07 0.00 -1.40 0.00 -1.05 0.00 0.00 178.15 175.77 2hky n GLN 14 N -2.66 0.87 -0.26 0.16 10.64 -0.83 -4.71 117.38 120.60 2hky n GLN 14 Ca 0.01 -0.10 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 2hky n GLN 14 Cb 0.53 -1.37 0.00 0.00 -0.86 0.00 0.00 30.24 28.54 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 -1.82 0.00 -5.02 2.61 8.25 0.13 -4.69 115.22 114.68 2hky n HIS 15 Ca -0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.13 2hky n HIS 15 Cb 0.38 0.07 -0.14 0.00 1.12 0.00 0.00 29.99 31.41 2hky n HIS 15 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2hky s MET 16 N 0.00 2.37 -0.01 -0.41 -1.94 -0.62 -0.56 119.30 118.13 2hky s MET 16 Ca 0.00 -0.78 0.09 0.00 -1.71 0.00 0.00 55.69 53.30 2hky s MET 16 Cb 0.00 -2.27 0.26 0.00 2.01 0.00 0.00 34.83 34.84 2hky s MET 16 CO 0.00 0.60 1.22 0.94 -0.01 0.00 0.00 175.02 177.77 2hky n GLN 17 N 2.33 2.88 0.02 2.03 7.27 1.06 -4.50 117.38 128.46 2hky n GLN 17 Ca -0.17 -2.01 0.23 0.00 0.07 0.00 0.00 57.00 55.12 2hky n GLN 17 Cb 0.52 -1.26 0.71 0.00 2.41 0.00 0.00 30.24 32.62 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 1.63 0.00 0.00 3.69 0.11 -1.90 -3.39 132.00 132.14 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 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2hky h PRO 18 CO 0.01 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.67 2hky n SER 19 N -3.75 0.00 0.20 -2.05 3.41 -1.26 -5.04 113.62 105.13 2hky n SER 19 Ca 0.11 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.84 2hky n SER 19 Cb 0.77 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.86 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 -0.24 4.33 0.13 -1.79 -3.48 132.00 130.96 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 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 178.81 2hky n GLN 21 N -3.04 0.00 -0.45 0.86 1.13 -1.26 -4.29 117.38 110.34 2hky n GLN 21 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2hky n GLN 21 Cb 0.53 -0.26 0.00 0.00 0.11 0.00 0.00 30.24 30.62 2hky n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hky n ALA 22 N -0.12 -2.68 -0.10 -1.58 0.00 -1.26 -3.58 120.51 111.19 2hky n ALA 22 Ca 0.00 0.12 0.23 0.00 0.00 0.00 0.00 53.44 53.79 2hky n ALA 22 Cb 0.06 -0.73 0.68 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 0.05 -0.42 0.36 0.00 -1.24 -1.81 0.44 115.58 112.96 2hky h ASN 24 Ca 0.34 0.12 -0.32 0.00 0.71 0.00 0.00 56.30 57.16 2hky h ASN 24 Cb 1.29 0.26 0.02 0.00 0.73 0.00 0.00 38.32 40.63 2hky h ASN 24 CO -0.02 -0.15 -1.49 -1.28 -1.29 0.00 0.00 177.43 173.20 2hky h SER 25 N -0.02 0.65 -0.87 1.15 0.87 -0.53 -2.37 113.55 112.42 2hky h SER 25 Ca 0.19 -0.76 0.13 0.00 -1.23 0.00 0.00 61.79 60.12 2hky h SER 25 Cb 0.31 -0.21 -0.09 0.00 -0.44 0.00 0.00 62.40 61.97 2hky h SER 25 CO -0.42 1.61 0.48 0.00 -0.53 0.00 0.00 176.83 177.97 2hky h ALA 26 N 0.29 1.30 0.00 6.23 0.00 0.27 0.43 119.26 127.79 2hky h ALA 26 Ca -0.24 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2hky h ALA 26 Cb 2.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 2hky h ALA 26 CO 0.23 0.00 -0.65 1.98 0.00 0.00 0.00 179.25 180.81 2hky h MET 27 N 0.72 0.00 -0.29 0.00 -1.53 -0.19 -2.99 114.93 110.66 2hky h MET 27 Ca 0.45 0.00 0.08 0.00 -3.44 0.00 0.00 59.70 56.80 2hky h MET 27 Cb 0.56 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.60 2hky h MET 27 CO -0.32 0.65 0.22 0.87 0.14 0.00 0.00 176.91 178.47 2hky h LYS 28 N 0.00 0.00 -0.00 0.39 1.79 0.41 0.40 116.57 119.57 2hky h LYS 28 Ca -0.01 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 2hky h LYS 28 Cb 1.30 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.93 2hky h LYS 28 CO 0.08 0.00 -0.78 -0.97 -1.08 0.00 0.00 179.45 176.70 2hky h ASN 29 N 0.00 0.04 0.89 0.86 -0.00 -1.28 -2.63 115.58 113.45 2hky h ASN 29 Ca 0.14 -0.03 -0.20 0.00 -0.00 0.00 0.00 56.30 56.21 2hky h ASN 29 Cb 0.58 -0.01 -0.03 0.00 -0.00 0.00 0.00 38.32 38.86 2hky h ASN 29 CO -0.00 0.80 -0.92 0.40 -0.00 0.00 0.00 177.43 177.71 2hky h ILE 30 N 0.02 1.64 0.00 2.57 2.04 -0.42 -2.86 117.51 120.50 2hky h ILE 30 Ca -0.01 -3.11 0.00 0.00 1.00 0.00 0.00 64.86 62.74 2hky h ILE 30 Cb 1.38 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 40.15 2hky h ILE 30 CO 0.10 0.89 0.00 -0.55 0.00 0.00 0.00 178.15 178.59 2hky h ASN 31 N 0.01 0.00 0.50 1.72 -1.07 -0.61 -0.59 115.58 115.53 2hky h ASN 31 Ca -0.02 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.06 2hky h ASN 31 Cb 1.63 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.87 2hky h ASN 31 CO 0.12 0.00 -1.49 0.07 0.07 0.00 0.00 177.43 176.21 2hky h LYS 32 N 0.00 0.22 0.00 4.14 5.09 -1.34 -0.16 116.57 124.52 2hky h LYS 32 Ca 0.00 -0.38 0.00 0.00 0.09 0.00 0.00 60.65 60.36 2hky h LYS 32 Cb 0.74 0.14 0.00 0.00 0.10 0.00 0.00 32.23 33.22 2hky h LYS 32 CO 0.00 1.09 -0.82 1.12 -2.09 0.00 0.00 179.45 178.75 2hky h HIS 33 N 0.06 0.00 -0.00 0.07 2.07 -1.44 -3.32 115.15 112.59 2hky h HIS 33 Ca -0.22 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.30 2hky h HIS 33 Cb 2.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.98 2hky h HIS 33 CO 0.06 0.00 -0.67 0.25 -3.07 0.00 0.00 177.93 174.49 2hky n THR 34 N -2.69 0.00 -2.09 6.12 -2.24 -0.24 -4.95 114.28 108.20 2hky n THR 34 Ca 0.01 -0.16 -0.17 0.00 -2.27 0.00 0.00 64.05 61.45 2hky n THR 34 Cb 0.54 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.79 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 -1.03 -1.72 -3.54 -0.78 4.76 -0.08 -4.90 118.16 110.87 2hky n LYS 35 Ca 0.04 0.90 -0.11 0.00 -2.87 0.00 0.00 58.31 56.27 2hky n LYS 35 Cb 0.29 -5.42 -0.04 0.00 -1.84 0.00 0.00 35.03 28.02 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 -4.47 0.74 -0.67 1.97 6.06 -1.15 -5.01 118.95 116.42 2hky s ARG 36 Ca 0.00 0.02 -0.19 0.00 -2.50 0.00 0.00 55.73 53.06 2hky s ARG 36 Cb 0.00 0.35 0.12 0.00 0.06 0.00 0.00 34.95 35.47 2hky s ARG 36 CO 0.00 -0.27 0.80 0.00 -2.50 0.00 0.00 175.30 173.34 2hky n LYS 38 N 6.29 0.02 0.00 0.00 4.76 -1.26 -4.60 118.16 123.37 2hky n LYS 38 Ca -0.02 0.54 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 2hky n LYS 38 Cb 0.44 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 2hky n LYS 38 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2hky n ASP 39 N -1.66 0.00 -3.77 4.39 -0.08 -1.26 -4.91 116.55 109.25 2hky n ASP 39 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 2hky n ASP 39 Cb 0.63 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.98 2hky n ASP 39 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2hky s LEU 40 N 0.00 0.89 -0.22 -2.67 1.98 -1.26 -0.32 118.68 117.08 2hky s LEU 40 Ca 0.00 0.54 -0.08 0.00 -2.89 0.00 0.00 54.13 51.70 2hky s LEU 40 Cb 0.00 1.01 0.10 0.00 0.66 0.00 0.00 46.19 47.96 2hky s LEU 40 CO 0.00 -0.13 0.49 0.20 -1.89 0.00 0.00 176.35 175.02 2hky s ASN 41 N 0.03 -0.53 0.09 3.68 -0.87 -1.02 -4.96 114.94 111.37 2hky s ASN 41 Ca -0.01 1.15 0.02 0.00 -1.57 0.00 0.00 52.86 52.44 2hky s ASN 41 Cb -0.02 1.52 -0.04 0.00 -0.02 0.00 0.00 41.25 42.69 2hky s ASN 41 CO 0.01 -0.23 0.19 0.42 -2.57 0.00 0.00 177.10 174.92 2hky s THR 42 N 2.51 5.10 0.17 1.60 -4.23 -1.26 -1.47 115.64 118.06 2hky s THR 42 Ca -0.04 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 2hky s THR 42 Cb -0.11 -3.52 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 2hky s THR 42 CO -0.15 0.07 0.01 -0.36 -0.54 0.00 0.00 174.62 173.64 2hky s PHE 43 N -1.55 1.19 0.17 3.99 0.40 0.10 -4.39 117.98 117.88 2hky s PHE 43 Ca 0.33 -1.03 0.11 0.00 -0.60 0.00 0.00 56.93 55.74 2hky s PHE 43 Cb -0.12 -0.68 -0.04 0.00 0.51 0.00 0.00 43.02 42.69 2hky s PHE 43 CO 0.26 -0.23 -0.25 -0.51 0.70 0.00 0.00 175.22 175.20 2hky s LEU 44 N -3.16 2.40 -0.78 -0.37 1.43 0.28 -0.13 118.68 118.35 2hky s LEU 44 Ca 0.24 -0.83 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 2hky s LEU 44 Cb 0.06 -1.16 0.29 0.00 0.03 0.00 0.00 46.19 45.41 2hky s LEU 44 CO 0.04 0.13 1.07 1.57 0.23 0.00 0.00 176.35 179.39 2hky n HIS 45 N 0.49 3.29 -3.72 0.29 -0.00 -0.67 0.34 115.22 115.23 2hky n HIS 45 Ca -0.14 -3.59 -0.12 0.00 0.46 0.00 0.00 57.72 54.33 2hky n HIS 45 Cb 0.55 -0.78 -0.11 0.00 -0.12 0.00 0.00 29.99 29.53 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 -2.91 0.33 0.01 1.57 2.56 -1.26 -4.64 118.70 114.35 2hky s GLU 46 Ca 0.39 0.61 -0.37 0.00 0.00 0.00 0.00 54.97 55.61 2hky s GLU 46 Cb 0.15 0.01 -0.15 0.00 2.00 0.00 0.00 34.13 36.14 2hky s GLU 46 CO -0.01 -0.13 1.54 -2.30 -0.56 0.00 0.00 175.26 173.80 2hky n PRO 47 N 3.85 1.48 0.29 4.30 -0.02 -1.26 -4.44 135.00 139.19 2hky n PRO 47 Ca -0.21 0.54 0.04 0.00 -2.02 0.00 0.00 63.50 61.85 2hky n PRO 47 Cb 0.55 -2.24 0.21 0.00 -0.02 0.00 0.00 33.50 32.00 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 5.92 0.00 0.00 6.00 0.04 -1.99 2.37 116.94 129.28 2hky h PHE 48 Ca -0.47 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.07 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 0.67 0.00 -0.96 1.03 -0.60 0.00 0.00 178.31 178.45 2hky h SER 49 N 0.00 0.59 0.15 2.17 0.87 -1.97 0.46 113.55 115.81 2hky h SER 49 Ca 0.00 -0.47 -0.30 0.00 -1.23 0.00 0.00 61.79 59.79 2hky h SER 49 Cb 1.49 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 63.28 2hky h SER 49 CO 0.00 1.27 -1.50 0.28 -0.53 0.00 0.00 176.83 176.35 2hky h SER 50 N 0.25 0.51 0.12 6.23 0.02 0.36 -2.89 113.55 118.14 2hky h SER 50 Ca -0.09 -0.90 -0.06 0.00 -0.84 0.00 0.00 61.79 59.91 2hky h SER 50 Cb 1.60 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 2hky h SER 50 CO 0.17 1.67 -0.20 0.58 -1.14 0.00 0.00 176.83 177.91 2hky h VAL 51 N -0.13 1.20 0.43 2.27 2.07 -0.97 0.26 116.25 121.38 2hky h VAL 51 Ca -0.30 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 2hky h VAL 51 Cb 1.90 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 2hky h VAL 51 CO 0.12 0.27 -0.29 0.00 0.02 0.00 0.00 177.57 177.70 2hky h ALA 52 N 1.64 -0.70 -0.15 1.67 0.00 -0.10 0.16 119.26 121.78 2hky h ALA 52 Ca 0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2hky h ALA 52 Cb 0.45 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2hky h ALA 52 CO 0.03 -0.91 -0.14 0.00 0.00 0.00 0.00 179.25 178.23 2hky h ALA 53 N -0.19 1.49 -0.48 0.00 0.00 -1.22 -1.16 119.26 117.71 2hky h ALA 53 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2hky h ALA 53 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2hky h ALA 53 CO 0.03 0.36 0.31 1.15 0.00 0.00 0.00 179.25 181.10 2hky h THR 54 N 0.23 1.13 0.00 0.00 2.02 0.65 0.14 112.91 117.08 2hky h THR 54 Ca 0.05 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2hky h THR 54 Cb 0.39 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2hky h THR 54 CO 0.02 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.04 2hky n GLN 56 N 0.25 4.10 -1.38 0.00 7.27 0.48 -4.77 117.38 123.34 2hky n GLN 56 Ca 0.00 -0.01 -0.31 0.00 0.07 0.00 0.00 57.00 56.74 2hky n GLN 56 Cb 0.31 -0.83 0.08 0.00 2.41 0.00 0.00 30.24 32.20 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 -1.70 3.34 -0.39 1.69 -1.32 -1.11 -4.82 115.64 111.33 2hky s THR 57 Ca 0.01 0.47 -0.37 0.00 -1.21 0.00 0.00 61.69 60.59 2hky s THR 57 Cb 0.04 -2.98 -0.16 0.00 -1.51 0.00 0.00 72.50 67.90 2hky s THR 57 CO 0.22 -0.53 1.26 -2.65 -2.21 0.00 0.00 174.62 170.70 2hky n PRO 58 N -3.28 0.00 0.00 7.08 -0.02 -1.26 -4.73 135.00 132.79 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 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 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 3.17 1.38 -3.62 -0.52 0.00 -1.26 -4.42 118.16 112.89 2hky n LYS 59 Ca 0.25 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.40 2hky n LYS 59 Cb -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 34.91 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 0.35 0.02 -0.65 0.58 -4.36 -1.23 -4.96 121.20 110.95 2hky s ILE 60 Ca 0.00 -0.14 -0.13 0.00 -0.26 0.00 0.00 60.65 60.11 2hky s ILE 60 Cb 0.00 -0.84 -0.17 0.00 1.25 0.00 0.00 42.46 42.70 2hky s ILE 60 CO 0.00 -0.08 1.80 0.00 0.24 0.00 0.00 174.94 176.90 2hky n ALA 61 N 1.39 0.54 -1.00 2.27 0.00 -1.26 -3.13 120.51 119.33 2hky n ALA 61 Ca -0.19 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 51.92 2hky n ALA 61 Cb 0.56 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 0.00 0.00 -1.04 0.00 5.02 -1.26 -4.66 118.16 116.21 2hky n LYS 63 Ca 0.00 0.28 -0.02 0.00 -2.02 0.00 0.00 58.31 56.55 2hky n LYS 63 Cb 0.00 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 2hky n LYS 63 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hky n ASN 64 N -1.21 -0.15 0.00 4.39 3.02 -1.26 -4.89 115.26 115.16 2hky n ASN 64 Ca 0.00 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.68 2hky n ASN 64 Cb 0.00 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 2hky n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hky n GLY 65 N 0.16 -0.68 0.28 7.41 0.00 -1.26 -5.02 105.19 106.09 2hky n GLY 65 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 1.02 -5.64 1.61 5.19 -1.85 -3.46 116.42 113.29 2hky h ASP 66 Ca 0.00 -0.39 -0.35 0.00 -0.62 0.00 0.00 57.03 55.68 2hky h ASP 66 Cb 0.00 -0.28 0.16 0.00 0.18 0.00 0.00 39.33 39.39 2hky h ASP 66 CO 0.00 1.19 -0.72 0.29 -3.12 0.00 0.00 179.24 176.87 2hky n LYS 67 N -4.11 -6.97 -0.02 3.56 5.02 -1.18 -4.77 118.16 109.69 2hky n LYS 67 Ca 0.00 0.83 0.01 0.00 -2.02 0.00 0.00 58.31 57.13 2hky n LYS 67 Cb 0.46 -5.81 0.02 0.00 -0.02 0.00 0.00 35.03 29.68 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 -3.03 1.83 -4.99 4.39 2.85 -1.25 -4.65 115.26 110.41 2hky n ASN 68 Ca -0.18 -1.70 -0.19 0.00 -0.11 0.00 0.00 54.58 52.39 2hky n ASN 68 Cb 0.63 -0.03 -0.00 0.00 1.24 0.00 0.00 39.78 41.62 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 -2.18 -0.69 -0.09 0.00 3.76 0.08 -3.51 115.29 112.66 2hky s HIS 70 Ca 0.44 1.32 -0.16 0.00 -0.15 0.00 0.00 55.06 56.51 2hky s HIS 70 Cb -0.10 0.19 -0.05 0.00 1.11 0.00 0.00 32.58 33.73 2hky s HIS 70 CO 0.31 -0.46 0.40 -1.14 -0.85 0.00 0.00 174.74 173.00 2hky s GLN 71 N 2.55 4.15 0.37 1.40 -0.44 -1.25 -0.70 119.66 125.73 2hky s GLN 71 Ca 0.00 0.33 -0.27 0.00 -2.50 0.00 0.00 55.36 52.93 2hky s GLN 71 Cb -0.12 -3.35 -0.12 0.00 -1.64 0.00 0.00 33.01 27.78 2hky s GLN 71 CO -0.12 0.38 1.14 0.45 0.50 0.00 0.00 175.29 177.65 2hky n SER 72 N 2.95 1.97 -0.67 6.67 2.88 0.59 -4.78 113.62 123.23 2hky n SER 72 Ca -0.11 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2hky n SER 72 Cb 0.52 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 2hky n SER 72 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2hky n HIS 73 N -0.02 0.00 -1.41 0.66 -0.00 -1.26 -4.75 115.22 108.44 2hky n HIS 73 Ca 0.07 -0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.13 2hky n HIS 73 Cb 0.37 -0.12 0.00 0.00 -0.12 0.00 0.00 29.99 30.11 2hky n HIS 73 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2hky n GLY 74 N 0.29 -1.55 3.67 1.57 0.00 -1.26 -5.12 105.19 102.79 2hky n GLY 74 Ca 0.00 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.45 4.31 -0.08 1.61 0.04 -1.26 -3.17 135.00 135.00 2hky s PRO 75 Ca 0.00 1.50 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 2hky s PRO 75 Cb 0.00 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 2hky s PRO 75 CO 0.00 -0.53 -0.01 0.54 0.04 0.00 0.00 177.00 177.03 2hky s VAL 76 N 2.78 4.17 -0.98 -0.36 0.11 -0.45 -4.68 120.40 120.99 2hky s VAL 76 Ca 0.50 -0.32 -0.25 0.00 -2.93 0.00 0.00 61.98 58.98 2hky s VAL 76 Cb -0.19 -2.75 -0.13 0.00 -1.53 0.00 0.00 36.38 31.77 2hky s VAL 76 CO 0.14 0.59 2.13 -0.44 -3.33 0.00 0.00 175.10 174.18 2hky s SER 77 N -0.92 4.25 0.74 3.54 0.01 -1.26 -2.32 113.70 117.74 2hky s SER 77 Ca 0.14 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2hky s SER 77 Cb -0.11 -2.57 0.15 0.00 0.21 0.00 0.00 66.02 63.69 2hky s SER 77 CO 0.03 -3.75 1.02 -1.48 0.41 0.00 0.00 173.24 169.47 2hky s LEU 78 N 13.71 2.92 -0.21 2.44 0.05 0.14 -1.68 118.68 136.06 2hky s LEU 78 Ca 0.79 -0.54 -0.05 0.00 0.05 0.00 0.00 54.13 54.39 2hky s LEU 78 Cb -0.07 -1.68 0.07 0.00 -2.05 0.00 0.00 46.19 42.47 2hky s LEU 78 CO 0.10 -1.97 0.11 -0.89 -0.55 0.00 0.00 176.35 173.15 2hky s THR 79 N -3.17 -0.10 -0.48 5.48 2.01 0.81 -0.69 115.64 119.51 2hky s THR 79 Ca 0.68 -0.34 -0.24 0.00 0.31 0.00 0.00 61.69 62.10 2hky s THR 79 Cb -0.04 -0.70 0.03 0.00 0.01 0.00 0.00 72.50 71.80 2hky s THR 79 CO 0.45 -0.41 0.84 -0.04 -0.69 0.00 0.00 174.62 174.77 2hky s MET 80 N 2.14 3.40 0.13 4.92 -1.94 0.85 0.01 119.30 128.81 2hky s MET 80 Ca 0.04 -0.13 -0.03 0.00 -1.71 0.00 0.00 55.69 53.86 2hky s MET 80 Cb -0.16 -3.97 -0.05 0.00 2.01 0.00 0.00 34.83 32.66 2hky s MET 80 CO -0.18 -1.23 0.34 0.00 -0.01 0.00 0.00 175.02 173.95 2hky s LYS 82 N -2.69 0.66 -0.42 0.00 -2.85 -1.06 -2.43 119.74 110.95 2hky s LYS 82 Ca 0.40 -1.02 -0.29 0.00 -1.00 0.00 0.00 55.97 54.06 2hky s LYS 82 Cb -0.12 -0.25 0.01 0.00 -2.06 0.00 0.00 37.83 35.41 2hky s LYS 82 CO 0.26 0.02 1.44 -1.17 0.10 0.00 0.00 175.35 175.99 2hky s LEU 83 N -2.24 3.56 0.01 2.77 2.96 0.57 -2.23 118.68 124.09 2hky s LEU 83 Ca -0.00 0.81 -0.25 0.00 -0.22 0.00 0.00 54.13 54.47 2hky s LEU 83 Cb -0.03 -3.50 -0.18 0.00 0.50 0.00 0.00 46.19 42.97 2hky s LEU 83 CO -0.02 -1.48 1.41 0.71 -1.32 0.00 0.00 176.35 175.66 2hky h THR 84 N 6.49 1.27 0.00 3.68 1.35 -0.92 -3.48 112.91 121.30 2hky h THR 84 Ca -0.28 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 2hky h THR 84 Cb 1.11 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 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 -4.92 0.00 0.00 5.36 3.41 -1.11 -4.99 113.62 111.37 2hky n SER 85 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2hky n SER 85 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.80 1.53 0.00 5.00 0.00 -1.26 -2.24 105.19 107.42 2hky n GLY 86 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.69 118.16 118.51 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 1.28 2.13 9.36 -1.26 -3.91 117.16 124.77 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 -0.51 0.43 0.00 -0.63 0.00 0.00 39.34 38.63 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 0.85 -1.35 2.98 -0.04 -1.26 -4.09 135.00 128.98 2hky n PRO 89 Ca -0.25 -0.47 0.03 0.00 -0.04 0.00 0.00 63.50 62.77 2hky n PRO 89 Cb 0.73 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.66 0.77 -4.69 3.54 2.85 -1.26 -5.08 115.26 110.72 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 0.34 -0.25 -0.03 0.00 1.24 0.00 0.00 39.78 41.07 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 1.58 3.13 0.31 0.00 1.70 -0.95 -4.93 118.95 119.79 2hky s ARG 92 Ca 0.46 -0.56 0.09 0.00 -0.47 0.00 0.00 55.73 55.24 2hky s ARG 92 Cb -0.19 -2.69 -0.04 0.00 -0.57 0.00 0.00 34.95 31.46 2hky s ARG 92 CO 0.20 0.46 0.10 0.71 -1.08 0.00 0.00 175.30 175.69 2hky s TYR 93 N -0.26 2.73 -0.05 5.89 1.51 -1.26 -0.22 117.35 125.69 2hky s TYR 93 Ca 0.04 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 2hky s TYR 93 Cb -0.13 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 2hky s TYR 93 CO 0.03 0.45 -0.24 0.15 -1.11 0.00 0.00 175.55 174.83 2hky s LYS 94 N -3.79 2.42 -0.16 -0.62 -0.14 -0.95 -3.83 119.74 112.67 2hky s LYS 94 Ca 0.35 -0.88 -0.18 0.00 -1.36 0.00 0.00 55.97 53.90 2hky s LYS 94 Cb -0.04 -2.16 -0.04 0.00 -1.68 0.00 0.00 37.83 33.91 2hky s LYS 94 CO 0.22 0.47 0.48 -1.83 -0.76 0.00 0.00 175.35 173.93 2hky s GLU 95 N -0.37 4.26 -0.33 1.68 -1.05 -1.26 -2.57 118.70 119.06 2hky s GLU 95 Ca 0.03 0.39 -0.03 0.00 -0.15 0.00 0.00 54.97 55.21 2hky s GLU 95 Cb -0.12 -3.50 0.06 0.00 -0.44 0.00 0.00 34.13 30.13 2hky s GLU 95 CO 0.02 0.01 0.06 0.21 0.95 0.00 0.00 175.26 176.51 2hky s LYS 96 N 1.12 2.39 -0.40 -4.83 2.20 -0.80 -4.97 119.74 114.45 2hky s LYS 96 Ca 0.24 -1.35 -0.29 0.00 -0.36 0.00 0.00 55.97 54.21 2hky s LYS 96 Cb -0.15 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.85 2hky s LYS 96 CO 0.09 -0.72 1.44 0.50 -0.36 0.00 0.00 175.35 176.30 2hky s ARG 97 N 1.27 3.57 0.35 4.03 3.52 -1.26 -0.10 118.95 130.33 2hky s ARG 97 Ca -0.02 0.99 0.09 0.00 -0.13 0.00 0.00 55.73 56.66 2hky s ARG 97 Cb -0.20 -4.03 -0.07 0.00 -1.56 0.00 0.00 34.95 29.09 2hky s ARG 97 CO -0.01 -1.57 -0.08 -1.14 -0.81 0.00 0.00 175.30 171.69 2hky s GLN 98 N 4.96 1.84 -0.23 5.12 -0.44 0.13 -4.95 119.66 126.09 2hky s GLN 98 Ca 0.62 -1.97 -0.01 0.00 -2.50 0.00 0.00 55.36 51.51 2hky s GLN 98 Cb -0.14 -1.69 0.07 0.00 -1.64 0.00 0.00 33.01 29.60 2hky s GLN 98 CO 0.32 0.11 -0.00 -0.80 0.50 0.00 0.00 175.29 175.42 2hky s ASN 99 N -3.62 3.53 0.17 6.67 0.02 -1.26 0.26 114.94 120.71 2hky s ASN 99 Ca 0.33 -1.11 -0.21 0.00 -1.02 0.00 0.00 52.86 50.84 2hky s ASN 99 Cb 0.04 -0.93 0.06 0.00 0.02 0.00 0.00 41.25 40.43 2hky s ASN 99 CO 0.17 -0.28 0.57 -0.54 0.02 0.00 0.00 177.10 177.04 2hky s LYS 100 N 1.58 1.31 -0.31 -0.60 1.02 -0.98 -4.73 119.74 117.03 2hky s LYS 100 Ca -0.02 -0.59 -0.25 0.00 0.02 0.00 0.00 55.97 55.13 2hky s LYS 100 Cb -0.18 0.57 0.01 0.00 -0.52 0.00 0.00 37.83 37.70 2hky s LYS 100 CO -0.09 -0.57 0.87 -1.12 -0.92 0.00 0.00 175.35 173.53 2hky s SER 101 N -2.79 6.74 0.24 2.83 0.01 0.55 -1.34 113.70 119.94 2hky s SER 101 Ca 0.03 0.77 0.04 0.00 1.31 0.00 0.00 55.95 58.10 2hky s SER 101 Cb -0.01 -2.45 0.04 0.00 0.21 0.00 0.00 66.02 63.81 2hky s SER 101 CO -0.10 -0.69 0.32 0.00 0.41 0.00 0.00 173.24 173.18 2hky n TYR 102 N 6.39 -2.56 -3.86 2.43 0.18 -1.26 -0.24 117.16 118.24 2hky n TYR 102 Ca 0.06 -0.90 -0.29 0.00 1.88 0.00 0.00 57.90 58.65 2hky n TYR 102 Cb 0.48 -0.23 -0.16 0.00 -0.38 0.00 0.00 39.34 39.05 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 -0.57 1.13 0.05 -3.48 1.01 0.10 -0.30 120.40 118.34 2hky s VAL 103 Ca 0.25 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.38 2hky s VAL 103 Cb -0.02 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2hky s VAL 103 CO 0.16 -0.10 -0.11 0.54 0.00 0.00 0.00 175.10 175.59 2hky s VAL 104 N 1.59 3.31 0.53 2.92 0.11 0.12 0.30 120.40 129.28 2hky s VAL 104 Ca -0.03 -1.08 -0.01 0.00 -2.93 0.00 0.00 61.98 57.93 2hky s VAL 104 Cb -0.18 -2.47 0.01 0.00 -1.53 0.00 0.00 36.38 32.22 2hky s VAL 104 CO -0.07 0.27 0.77 0.00 -3.33 0.00 0.00 175.10 172.74 2hky s ALA 105 N -1.06 3.66 0.12 1.54 0.00 0.12 -0.74 121.76 125.40 2hky s ALA 105 Ca 0.18 -1.06 0.06 0.00 0.00 0.00 0.00 51.96 51.14 2hky s ALA 105 Cb -0.11 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 2hky s ALA 105 CO 0.09 -0.64 -0.14 0.00 0.00 0.00 0.00 175.76 175.08 2hky s LYS 107 N -2.69 0.98 0.25 0.00 1.02 -0.82 -4.87 119.74 113.61 2hky s LYS 107 Ca 0.09 -0.82 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 2hky s LYS 107 Cb -0.05 0.42 -0.10 0.00 -0.52 0.00 0.00 37.83 37.58 2hky s LYS 107 CO 0.03 -0.36 1.43 -1.25 -0.92 0.00 0.00 175.35 174.28 2hky s PRO 108 N -3.83 4.27 -0.53 -1.68 0.04 -1.26 -0.32 135.00 131.69 2hky s PRO 108 Ca 0.04 2.29 -0.35 0.00 0.04 0.00 0.00 61.00 63.03 2hky s PRO 108 Cb 0.03 -3.11 -0.14 0.00 0.04 0.00 0.00 34.50 31.32 2hky s PRO 108 CO -0.11 -0.41 2.32 -2.30 0.04 0.00 0.00 177.00 176.53 2hky n PRO 109 N 2.26 0.64 0.00 0.56 -0.02 -1.26 -4.85 135.00 132.33 2hky n PRO 109 Ca 0.06 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2hky n PRO 109 Cb 0.40 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 8.23 0.00 0.00 -0.52 1.13 -1.26 -4.68 117.38 120.28 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 0.18 -0.13 0.00 0.00 0.11 0.00 0.00 30.24 30.40 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 3.68 0.07 -1.09 0.00 -1.26 -4.73 118.16 114.83 2hky n LYS 111 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 2hky n LYS 111 Cb 0.00 -0.66 -0.12 0.00 -0.00 0.00 0.00 35.03 34.25 2hky n LYS 111 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2hky h LYS 112 N 0.00 0.05 -0.20 -1.58 3.11 -1.94 -3.48 116.57 112.53 2hky h LYS 112 Ca 0.00 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 2hky h LYS 112 Cb 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 2hky h LYS 112 CO 0.00 1.04 0.00 -0.40 -2.81 0.00 0.00 179.45 177.28 2hky n ASP 113 N -3.39 0.00 0.00 4.20 5.75 -1.26 -4.61 116.55 117.24 2hky n ASP 113 Ca -0.02 0.00 0.22 0.00 -0.01 0.00 0.00 54.79 54.99 2hky n ASP 113 Cb 0.96 0.00 0.73 0.00 -1.03 0.00 0.00 41.12 41.77 2hky n ASP 113 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2hky h SER 114 N 1.56 0.00 0.00 -1.12 0.02 -1.98 -3.39 113.55 108.63 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 -4.02 0.00 0.00 3.45 6.02 -1.26 -5.05 117.38 116.51 2hky n GLN 115 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2hky n GLN 115 Cb 0.70 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.96 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 -2.92 0.00 0.00 -1.09 10.64 -1.26 -5.06 117.38 117.68 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 0.00 2.61 3.01 -1.26 -4.57 117.46 117.25 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 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2hky n PHE 117 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2hky n HIS 118 N 0.00 0.00 0.00 1.38 -0.00 -1.26 -4.86 115.22 110.48 2hky n HIS 118 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2hky n HIS 118 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 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 -3.72 0.27 -0.00 -1.15 -4.53 117.00 107.87 2hky n LEU 119 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.67 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 -0.89 1.33 -0.00 0.00 0.00 177.39 177.83 2hky n VAL 120 N 0.00 0.00 -2.42 1.47 0.24 0.56 -3.81 118.33 114.37 2hky n VAL 120 Ca 0.00 -0.45 -0.39 0.00 -2.04 0.00 0.00 64.34 61.46 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 -1.34 3.17 0.00 7.34 0.04 -1.26 -1.95 135.00 140.99 2hky s PRO 121 Ca 0.44 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.07 2hky s PRO 121 Cb -0.31 -4.70 0.00 0.00 0.04 0.00 0.00 34.50 29.53 2hky s PRO 121 CO 0.67 -2.40 0.00 1.55 0.04 0.00 0.00 177.00 176.86 2hky n VAL 122 N 6.84 0.00 -2.67 -0.36 3.14 -0.85 -4.00 118.33 120.43 2hky n VAL 122 Ca 0.20 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.35 2hky n VAL 122 Cb 0.50 -0.57 0.03 0.00 -1.06 0.00 0.00 33.84 32.74 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 2.99 -0.27 1.45 2.46 -1.23 -4.59 115.29 116.10 2hky s HIS 123 Ca 0.00 0.14 0.01 0.00 0.47 0.00 0.00 55.06 55.68 2hky s HIS 123 Cb 0.00 -2.68 0.05 0.00 -0.13 0.00 0.00 32.58 29.82 2hky s HIS 123 CO 0.00 -0.79 -0.07 -1.17 -2.47 0.00 0.00 174.74 170.24 2hky s LEU 124 N -4.77 3.46 -0.05 8.88 0.20 -1.26 0.11 118.68 125.24 2hky s LEU 124 Ca 0.55 -1.23 -0.10 0.00 0.69 0.00 0.00 54.13 54.04 2hky s LEU 124 Cb -0.10 -1.61 -0.05 0.00 -0.43 0.00 0.00 46.19 43.99 2hky s LEU 124 CO 0.39 -0.19 0.43 0.44 -0.29 0.00 0.00 176.35 177.14 2hky h ASP 125 N 7.89 -0.30 -5.06 3.68 5.19 0.43 -3.47 116.42 124.77 2hky h ASP 125 Ca -0.24 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.13 2hky h ASP 125 Cb 1.06 0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.65 2hky h ASP 125 CO 0.51 0.11 0.23 0.00 -3.12 0.00 0.00 179.24 176.97 2hky s ARG 126 N -2.71 2.25 -0.08 3.56 1.70 -0.90 -4.96 118.95 117.81 2hky s ARG 126 Ca -0.05 -1.52 0.05 0.00 -0.47 0.00 0.00 55.73 53.73 2hky s ARG 126 Cb 0.01 0.61 -0.01 0.00 -0.57 0.00 0.00 34.95 34.98 2hky s ARG 126 CO 0.16 -1.04 -0.22 0.08 -1.08 0.00 0.00 175.30 173.19 2hky s VAL 127 N -2.23 2.26 0.00 4.99 1.01 -1.26 0.01 120.40 125.18 2hky s VAL 127 Ca 0.18 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2hky s VAL 127 Cb -0.05 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.48 2hky s VAL 127 CO 0.13 0.56 0.40 -0.11 0.00 0.00 0.00 175.10 176.08