#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lky s ILE 16 N 0.00 5.06 -0.29 0.44 -1.09 -1.26 -5.02 121.20 119.04 1lky s ILE 16 Ca 0.00 -2.13 -0.03 0.00 -2.23 0.00 0.00 60.65 56.26 1lky s ILE 16 Cb 0.00 -4.20 0.04 0.00 -1.58 0.00 0.00 42.46 36.72 1lky s ILE 16 CO 0.00 -0.93 0.00 -0.60 -1.23 0.00 0.00 174.94 172.19 1lky s ARG 17 N 0.75 2.59 0.33 2.79 3.52 -1.26 -5.10 118.95 122.57 1lky s ARG 17 Ca 0.11 -1.16 -0.13 0.00 -0.13 0.00 0.00 55.73 54.42 1lky s ARG 17 Cb -0.20 -3.18 -0.08 0.00 -1.56 0.00 0.00 34.95 29.93 1lky s ARG 17 CO -0.03 -0.56 0.72 -0.51 -0.81 0.00 0.00 175.30 174.11 1lky s LEU 18 N 1.31 4.01 0.41 -0.88 1.43 -1.26 -5.01 118.68 118.69 1lky s LEU 18 Ca -0.03 1.20 -0.25 0.00 -1.03 0.00 0.00 54.13 54.02 1lky s LEU 18 Cb -0.19 -4.02 -0.10 0.00 0.03 0.00 0.00 46.19 41.91 1lky s LEU 18 CO -0.01 -0.24 1.23 -2.65 0.23 0.00 0.00 176.35 174.91 1lky n PRO 19 N -0.59 1.84 -0.33 1.29 -0.02 -1.26 -4.80 135.00 131.14 1lky n PRO 19 Ca 0.03 0.65 0.18 0.00 -2.02 0.00 0.00 63.50 62.34 1lky n PRO 19 Cb 0.53 -2.32 0.38 0.00 -0.02 0.00 0.00 33.50 32.07 1lky n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lky h ALA 20 N 2.03 1.67 -0.06 3.55 0.00 -2.00 -0.14 119.26 124.31 1lky h ALA 20 Ca -0.47 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1lky h ALA 20 Cb 1.30 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1lky h ALA 20 CO 0.60 -0.40 0.04 1.25 0.00 0.00 0.00 179.25 180.74 1lky h HIS 21 N 0.41 0.07 -0.51 0.00 -0.00 -2.03 -1.83 115.15 111.26 1lky h HIS 21 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 61.01 1lky h HIS 21 Cb 1.29 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.68 1lky h HIS 21 CO -0.07 0.04 0.00 1.28 -0.00 0.00 0.00 177.93 179.18 1lky n LEU 22 N -4.53 5.29 -0.59 0.26 4.77 -0.08 -4.46 117.00 117.66 1lky n LEU 22 Ca -0.02 -2.93 0.04 0.00 -0.03 0.00 0.00 56.01 53.08 1lky n LEU 22 Cb 0.09 -0.65 0.13 0.00 -2.33 0.00 0.00 43.42 40.67 1lky n LEU 22 CO 0.34 0.65 0.60 0.54 -1.33 0.00 0.00 177.39 178.19 1lky n ARG 23 N 0.40 1.77 -2.48 3.23 1.74 -0.69 -4.86 116.66 115.77 1lky n ARG 23 Ca 0.26 -1.07 -0.23 0.00 -0.77 0.00 0.00 57.85 56.04 1lky n ARG 23 Cb 1.12 -1.29 0.07 0.00 -1.02 0.00 0.00 32.46 31.34 1lky n ARG 23 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1lky s LEU 24 N -1.01 3.06 0.14 0.55 2.34 -1.26 -4.99 118.68 117.50 1lky s LEU 24 Ca 0.20 0.06 -0.31 0.00 0.06 0.00 0.00 54.13 54.13 1lky s LEU 24 Cb 0.11 -2.73 -0.11 0.00 -0.56 0.00 0.00 46.19 42.90 1lky s LEU 24 CO 0.13 -1.48 1.82 0.00 -1.06 0.00 0.00 176.35 175.75 1lky n GLN 25 N -2.66 2.81 -0.32 1.48 6.02 -1.26 -4.85 117.38 118.59 1lky n GLN 25 Ca 0.10 1.02 0.21 0.00 -0.01 0.00 0.00 57.00 58.32 1lky n GLN 25 Cb 0.60 -2.91 0.42 0.00 1.02 0.00 0.00 30.24 29.37 1lky n GLN 25 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1lky h PRO 26 N 8.23 0.20 -0.73 -1.09 0.11 -1.94 0.61 132.00 137.39 1lky h PRO 26 Ca -0.46 -0.01 0.21 0.00 0.11 0.00 0.00 66.00 65.85 1lky h PRO 26 Cb 1.22 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1lky h PRO 26 CO 0.95 0.13 0.66 0.97 -0.21 0.00 0.00 178.00 180.50 1lky h ILE 27 N 0.20 0.37 0.00 4.15 6.09 -1.89 0.41 117.51 126.85 1lky h ILE 27 Ca 0.69 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.18 1lky h ILE 27 Cb 1.56 0.50 0.00 0.00 0.47 0.00 0.00 36.82 39.35 1lky h ILE 27 CO -0.68 0.00 -0.70 -1.22 -3.07 0.00 0.00 178.15 172.47 1lky n TYR 28 N -3.86 0.52 -1.64 2.19 0.53 0.21 -3.70 117.16 111.40 1lky n TYR 28 Ca 0.15 0.15 -0.45 0.00 -1.02 0.00 0.00 57.90 56.73 1lky n TYR 28 Cb 0.92 -0.63 -0.02 0.00 -1.03 0.00 0.00 39.34 38.58 1lky n TYR 28 CO 0.00 0.00 0.00 0.91 -1.02 0.00 0.00 176.86 176.75 1lky n TRP 29 N -2.10 1.84 -2.69 -0.72 8.01 0.14 -4.82 117.44 117.11 1lky n TRP 29 Ca 0.03 0.57 -0.22 0.00 -1.31 0.00 0.00 57.50 56.57 1lky n TRP 29 Cb 0.44 -2.37 0.08 0.00 -2.01 0.00 0.00 31.31 27.45 1lky n TRP 29 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1lky s SER 30 N -0.13 4.79 0.21 -0.99 1.04 -1.26 0.22 113.70 117.57 1lky s SER 30 Ca 0.63 -0.35 -0.10 0.00 0.48 0.00 0.00 55.95 56.61 1lky s SER 30 Cb -0.67 -0.23 0.28 0.00 0.10 0.00 0.00 66.02 65.49 1lky s SER 30 CO 0.56 -1.53 1.71 0.03 0.98 0.00 0.00 173.24 174.99 1lky h ARG 31 N -0.19 0.26 -0.60 4.02 -0.00 -1.92 -0.53 114.38 115.42 1lky h ARG 31 Ca -0.37 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.98 58.99 1lky h ARG 31 Cb 1.28 -0.06 -0.02 0.00 0.00 0.00 0.00 29.97 31.17 1lky h ARG 31 CO 0.44 0.17 -0.02 0.22 0.00 0.00 0.00 179.97 180.78 1lky h ASP 32 N 0.27 1.05 -0.77 7.04 3.58 -1.94 -1.85 116.42 123.81 1lky h ASP 32 Ca 0.30 -0.31 0.04 0.00 0.42 0.00 0.00 57.03 57.48 1lky h ASP 32 Cb 0.44 -0.28 -0.05 0.00 1.72 0.00 0.00 39.33 41.15 1lky h ASP 32 CO -0.38 1.11 0.48 0.44 -2.88 0.00 0.00 179.24 178.01 1lky h ASP 33 N 0.97 0.77 -0.52 2.28 3.32 -1.65 0.44 116.42 122.02 1lky h ASP 33 Ca 0.17 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1lky h ASP 33 Cb 0.58 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1lky h ASP 33 CO 0.03 0.51 0.21 0.58 -1.72 0.00 0.00 179.24 178.86 1lky h VAL 34 N 0.91 1.22 -0.88 -1.35 2.07 -0.82 0.18 116.25 117.57 1lky h VAL 34 Ca 0.32 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1lky h VAL 34 Cb 0.08 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1lky h VAL 34 CO -0.14 0.25 0.58 0.00 0.02 0.00 0.00 177.57 178.28 1lky h ALA 35 N 1.06 1.14 -0.19 1.67 0.00 -0.75 -0.49 119.26 121.70 1lky h ALA 35 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1lky h ALA 35 Cb 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1lky h ALA 35 CO -0.01 0.47 0.03 1.96 0.00 0.00 0.00 179.25 181.70 1lky h GLN 36 N 1.15 0.31 -0.80 0.00 4.20 -0.28 -2.87 115.11 116.83 1lky h GLN 36 Ca 0.34 -0.08 0.11 0.00 0.06 0.00 0.00 58.65 59.07 1lky h GLN 36 Cb -0.07 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.62 1lky h GLN 36 CO -0.09 0.47 0.52 2.35 -0.67 0.00 0.00 178.83 181.41 1lky h TRP 37 N 0.10 0.75 -0.32 2.96 7.01 -0.09 -0.46 115.95 125.90 1lky h TRP 37 Ca 0.06 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 60.98 1lky h TRP 37 Cb 0.31 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 1lky h TRP 37 CO 0.02 0.33 -0.22 -0.07 -2.79 0.00 0.00 178.44 175.72 1lky h LEU 38 N 0.68 0.61 -0.12 0.65 3.38 -0.90 -0.58 115.31 119.04 1lky h LEU 38 Ca 0.38 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1lky h LEU 38 Cb 0.53 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1lky h LEU 38 CO -0.15 0.82 -0.18 0.11 0.09 0.00 0.00 178.44 179.14 1lky h LYS 39 N 0.54 0.33 -0.39 1.13 1.79 -0.96 -1.91 116.57 117.09 1lky h LYS 39 Ca 0.08 -0.20 0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1lky h LYS 39 Cb 0.67 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.30 1lky h LYS 39 CO 0.05 0.77 0.19 2.35 -1.08 0.00 0.00 179.45 181.74 1lky h TRP 40 N -0.08 0.36 -0.39 -1.35 7.01 -1.07 -2.11 115.95 118.32 1lky h TRP 40 Ca 0.01 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1lky h TRP 40 Cb 0.74 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.68 1lky h TRP 40 CO 0.10 0.19 0.25 0.00 -2.79 0.00 0.00 178.44 176.19 1lky h ALA 41 N 1.21 0.49 -0.67 2.65 0.00 -1.07 0.62 119.26 122.49 1lky h ALA 41 Ca 0.17 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1lky h ALA 41 Cb 0.08 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1lky h ALA 41 CO -0.12 -0.05 0.40 1.49 0.00 0.00 0.00 179.25 180.98 1lky h GLU 42 N 0.52 0.75 0.21 0.00 4.81 -1.12 0.21 114.58 119.97 1lky h GLU 42 Ca 0.14 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1lky h GLU 42 Cb -0.05 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1lky h GLU 42 CO -0.03 0.50 -0.10 -0.97 -0.73 0.00 0.00 179.01 177.67 1lky h ASN 43 N 0.77 -0.24 -0.75 1.04 -1.24 -0.96 0.12 115.58 114.32 1lky h ASN 43 Ca 0.28 -0.28 0.11 0.00 0.71 0.00 0.00 56.30 57.11 1lky h ASN 43 Cb 0.07 0.06 -0.05 0.00 0.73 0.00 0.00 38.32 39.13 1lky h ASN 43 CO -0.13 0.21 0.49 -0.08 -1.29 0.00 0.00 177.43 176.64 1lky h GLU 44 N -0.77 0.59 -0.29 6.67 4.57 0.38 -2.87 114.58 122.86 1lky h GLU 44 Ca -0.03 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1lky h GLU 44 Cb 0.51 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1lky h GLU 44 CO 0.05 0.39 0.00 1.19 -1.18 0.00 0.00 179.01 179.46 1lky n PHE 45 N -4.50 0.68 -3.94 0.92 3.01 0.73 -4.97 117.46 109.39 1lky n PHE 45 Ca 0.13 -0.69 -0.29 0.00 1.01 0.00 0.00 57.45 57.61 1lky n PHE 45 Cb 0.38 -0.17 0.01 0.00 -0.01 0.00 0.00 39.48 39.69 1lky n PHE 45 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1lky n SER 46 N -0.05 -2.90 -4.90 4.37 7.64 -0.02 -4.95 113.62 112.81 1lky n SER 46 Ca 0.16 -0.88 -0.28 0.00 1.01 0.00 0.00 58.87 58.89 1lky n SER 46 Cb 0.66 -3.55 0.02 0.00 -1.01 0.00 0.00 64.21 60.33 1lky n SER 46 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1lky s LEU 47 N -7.09 3.26 0.82 -3.43 1.43 0.23 -5.03 118.68 108.87 1lky s LEU 47 Ca 0.41 0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 54.34 1lky s LEU 47 Cb -0.21 -3.82 0.08 0.00 0.03 0.00 0.00 46.19 42.27 1lky s LEU 47 CO 0.86 -0.98 1.09 -0.60 0.23 0.00 0.00 176.35 176.95 1lky s ARG 48 N -5.03 1.87 0.31 1.70 3.52 -1.26 -4.85 118.95 115.22 1lky s ARG 48 Ca 0.53 1.02 -0.29 0.00 -0.13 0.00 0.00 55.73 56.86 1lky s ARG 48 Cb -0.11 -1.86 -0.12 0.00 -1.56 0.00 0.00 34.95 31.30 1lky s ARG 48 CO 0.47 -1.87 1.56 -2.30 -0.81 0.00 0.00 175.30 172.35 1lky n PRO 49 N -3.66 2.67 -4.27 5.12 -0.02 -1.26 -4.93 135.00 128.65 1lky n PRO 49 Ca 0.08 0.95 -0.34 0.00 -2.02 0.00 0.00 63.50 62.17 1lky n PRO 49 Cb 0.54 -2.71 -0.13 0.00 -0.02 0.00 0.00 33.50 31.18 1lky n PRO 49 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1lky s ILE 50 N -0.31 3.79 -0.08 4.25 1.01 -1.26 -5.09 121.20 123.51 1lky s ILE 50 Ca 0.61 -0.38 -0.26 0.00 0.00 0.00 0.00 60.65 60.62 1lky s ILE 50 Cb -0.50 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 1lky s ILE 50 CO 0.53 0.47 0.82 -0.62 0.00 0.00 0.00 174.94 176.14 1lky s ASP 51 N 0.69 7.09 0.52 3.58 -1.08 -1.26 -4.94 116.67 121.27 1lky s ASP 51 Ca -0.02 1.32 0.34 0.00 -0.52 0.00 0.00 52.55 53.67 1lky s ASP 51 Cb -0.14 -2.47 1.57 0.00 -1.46 0.00 0.00 42.92 40.42 1lky s ASP 51 CO 0.02 -0.25 2.02 0.77 0.52 0.00 0.00 175.17 178.25 1lky h SER 52 N 6.96 0.00 0.86 -0.34 4.64 -1.96 -2.86 113.55 120.85 1lky h SER 52 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1lky h SER 52 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1lky h SER 52 CO 0.78 0.00 0.00 -0.55 -0.87 0.00 0.00 176.83 176.19 1lky h ASN 53 N 0.00 0.00 1.04 4.97 -1.07 -2.01 -1.92 115.58 116.59 1lky h ASN 53 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1lky h ASN 53 Cb 0.32 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.57 1lky h ASN 53 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.43 177.85 1lky n THR 54 N -2.74 0.21 -2.84 6.14 -2.24 -1.08 -3.74 114.28 107.99 1lky n THR 54 Ca 0.01 -0.03 -0.17 0.00 -2.27 0.00 0.00 64.05 61.59 1lky n THR 54 Cb 0.26 -0.57 -0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1lky n THR 54 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1lky n PHE 55 N -1.66 1.61 -1.82 4.78 3.01 -0.72 -4.93 117.46 117.74 1lky n PHE 55 Ca 0.06 -3.35 -0.42 0.00 1.01 0.00 0.00 57.45 54.76 1lky n PHE 55 Cb 0.34 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 1lky n PHE 55 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1lky n GLU 56 N -0.04 2.92 -3.81 -1.08 0.00 -1.21 -4.81 120.64 112.61 1lky n GLU 56 Ca 0.22 -2.70 -0.09 0.00 0.00 0.00 0.00 57.16 54.59 1lky n GLU 56 Cb 0.68 -3.28 -0.04 0.00 0.00 0.00 0.00 31.44 28.81 1lky n GLU 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1lky s MET 57 N 3.06 1.45 0.51 5.31 0.23 -1.26 -5.09 119.30 123.51 1lky s MET 57 Ca 0.47 -0.96 0.05 0.00 -1.03 0.00 0.00 55.69 54.22 1lky s MET 57 Cb 0.13 0.52 0.09 0.00 -1.53 0.00 0.00 34.83 34.04 1lky s MET 57 CO -0.07 -0.62 0.70 0.27 -2.03 0.00 0.00 175.02 173.26 1lky n ASN 58 N -0.36 1.44 -0.18 -1.18 0.23 -1.26 -4.14 115.26 109.80 1lky n ASN 58 Ca -0.08 -2.10 0.01 0.00 -0.53 0.00 0.00 54.58 51.88 1lky n ASN 58 Cb 0.62 -0.41 0.26 0.00 -2.08 0.00 0.00 39.78 38.18 1lky n ASN 58 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1lky h GLY 59 N -0.14 0.98 0.69 4.83 0.00 -0.40 -1.48 103.07 107.56 1lky h GLY 59 Ca -0.23 -0.38 0.07 0.00 0.00 0.00 0.00 47.33 46.78 1lky h GLY 59 CO 0.30 0.38 0.51 0.50 0.00 0.00 0.00 176.54 178.23 1lky h LYS 60 N 0.94 0.90 0.11 4.80 1.57 -1.78 0.04 116.57 123.16 1lky h LYS 60 Ca 0.25 -0.05 -0.27 0.00 -1.87 0.00 0.00 60.65 58.71 1lky h LYS 60 Cb -0.07 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.04 1lky h LYS 60 CO -0.05 0.60 -1.23 -0.44 -0.57 0.00 0.00 179.45 177.76 1lky h ASP 61 N 0.93 0.37 -0.78 0.86 5.19 -1.88 -3.31 116.42 117.78 1lky h ASP 61 Ca 0.37 -0.40 -0.02 0.00 -0.62 0.00 0.00 57.03 56.37 1lky h ASP 61 Cb 0.20 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 39.56 1lky h ASP 61 CO -0.18 1.31 0.41 0.25 -3.12 0.00 0.00 179.24 177.90 1lky h LEU 62 N 0.06 1.00 0.00 1.55 5.85 -0.76 -2.17 115.31 120.84 1lky h LEU 62 Ca -0.12 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1lky h LEU 62 Cb 1.95 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.72 1lky h LEU 62 CO 0.19 0.83 0.00 0.18 -0.34 0.00 0.00 178.44 179.30 1lky n LEU 63 N -4.40 0.00 -0.05 2.25 7.99 -0.04 -2.73 117.00 120.01 1lky n LEU 63 Ca 0.07 0.06 0.01 0.00 -0.01 0.00 0.00 56.01 56.14 1lky n LEU 63 Cb 0.11 -0.06 -0.16 0.00 -0.11 0.00 0.00 43.42 43.21 1lky n LEU 63 CO 0.39 -0.03 -0.92 0.18 -1.51 0.00 0.00 177.39 175.50 1lky n LEU 64 N -1.06 0.00 -4.73 2.23 4.77 -0.82 -5.00 117.00 112.40 1lky n LEU 64 Ca 0.11 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.74 1lky n LEU 64 Cb 0.07 0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1lky n LEU 64 CO 0.10 0.21 0.83 -0.76 -1.33 0.00 0.00 177.39 176.44 1lky s LEU 65 N -4.87 3.41 0.30 2.23 1.43 -1.11 -5.04 118.68 115.03 1lky s LEU 65 Ca -0.08 2.42 0.07 0.00 -1.03 0.00 0.00 54.13 55.51 1lky s LEU 65 Cb 0.10 -4.60 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 1lky s LEU 65 CO 0.82 -2.15 0.32 0.42 0.23 0.00 0.00 176.35 175.99 1lky s THR 66 N -1.81 4.15 0.39 5.49 -4.23 -1.26 -4.97 115.64 113.40 1lky s THR 66 Ca 0.77 -1.24 0.14 0.00 -1.18 0.00 0.00 61.69 60.18 1lky s THR 66 Cb -0.31 -3.39 0.36 0.00 1.34 0.00 0.00 72.50 70.49 1lky s THR 66 CO 0.43 -0.24 1.84 0.50 -0.54 0.00 0.00 174.62 176.61 1lky h LYS 67 N 1.22 0.51 0.00 3.99 3.64 -1.96 0.42 116.57 124.39 1lky h LYS 67 Ca -0.47 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.81 1lky h LYS 67 Cb 1.25 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1lky h LYS 67 CO 0.58 0.33 -0.34 1.49 -2.27 0.00 0.00 179.45 179.24 1lky h GLU 68 N 0.52 0.00 -0.11 1.90 4.57 -1.96 -0.30 114.58 119.19 1lky h GLU 68 Ca 0.49 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.46 1lky h GLU 68 Cb 1.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1lky h GLU 68 CO -0.22 0.34 -0.76 -0.44 -1.18 0.00 0.00 179.01 176.75 1lky h ASP 69 N 0.00 0.70 -0.41 1.04 3.32 -0.56 -1.87 116.42 118.63 1lky h ASP 69 Ca -0.00 -0.46 -0.10 0.00 0.02 0.00 0.00 57.03 56.48 1lky h ASP 69 Cb 0.75 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1lky h ASP 69 CO 0.04 1.23 -0.14 -0.26 -1.72 0.00 0.00 179.24 178.40 1lky h PHE 70 N 0.40 0.93 -0.57 4.55 -1.00 -0.97 -1.21 116.94 119.07 1lky h PHE 70 Ca -0.04 -0.21 0.09 0.00 2.81 0.00 0.00 57.97 60.61 1lky h PHE 70 Cb 1.36 -0.22 -0.07 0.00 3.61 0.00 0.00 35.95 40.63 1lky h PHE 70 CO 0.06 0.96 0.20 0.00 -1.61 0.00 0.00 178.31 177.92 1lky h ARG 71 N 0.64 0.36 0.55 1.51 2.47 -0.96 0.62 114.38 119.58 1lky h ARG 71 Ca 0.10 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 1lky h ARG 71 Cb 0.68 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.92 1lky h ARG 71 CO 0.05 0.24 -0.27 -0.92 0.56 0.00 0.00 179.97 179.63 1lky h TYR 72 N 0.38 -0.69 0.00 3.04 3.20 -1.12 -0.68 116.97 121.10 1lky h TYR 72 Ca 0.29 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 1lky h TYR 72 Cb 0.35 0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 1lky h TYR 72 CO -0.18 -0.37 -0.07 0.00 -1.64 0.00 0.00 178.16 175.90 1lky h ARG 73 N -0.92 0.00 -2.07 1.82 3.08 -0.95 -3.37 114.38 111.97 1lky h ARG 73 Ca -0.08 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.60 1lky h ARG 73 Cb 0.63 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.36 1lky h ARG 73 CO 0.13 0.07 -0.68 0.45 -1.07 0.00 0.00 179.97 178.86 1lky s SER 74 N -6.74 1.48 0.51 7.04 0.15 0.22 -4.92 113.70 111.44 1lky s SER 74 Ca -0.04 -1.35 0.18 0.00 0.70 0.00 0.00 55.95 55.44 1lky s SER 74 Cb 0.16 0.47 1.27 0.00 -1.71 0.00 0.00 66.02 66.20 1lky s SER 74 CO 0.64 -0.31 2.09 -0.65 1.20 0.00 0.00 173.24 176.21 1lky h PRO 75 N 7.46 0.06 0.00 5.44 0.11 -1.30 0.17 132.00 143.94 1lky h PRO 75 Ca -0.01 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 1lky h PRO 75 Cb 1.06 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1lky h PRO 75 CO 0.25 0.04 -1.78 0.72 -0.21 0.00 0.00 178.00 177.02 1lky n HIS 76 N -4.48 0.42 -0.97 0.65 8.25 -1.26 -4.65 115.22 113.17 1lky n HIS 76 Ca 0.02 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1lky n HIS 76 Cb 0.27 -0.84 0.00 0.00 1.12 0.00 0.00 29.99 30.53 1lky n HIS 76 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1lky n SER 77 N -2.61 0.14 -0.21 0.41 3.41 -1.20 -4.88 113.62 108.68 1lky n SER 77 Ca -0.11 -1.12 -0.00 0.00 -0.26 0.00 0.00 58.87 57.38 1lky n SER 77 Cb 0.77 -0.01 0.11 0.00 -0.26 0.00 0.00 64.21 64.82 1lky n SER 77 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1lky h GLY 78 N 0.00 0.92 0.99 5.00 0.00 -0.83 -1.35 103.07 107.80 1lky h GLY 78 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 1lky h GLY 78 CO 0.00 0.05 -0.17 1.29 0.00 0.00 0.00 176.54 177.72 1lky h ASP 79 N 0.53 0.80 -0.70 0.19 -0.00 -1.82 -0.62 116.42 114.79 1lky h ASP 79 Ca 0.31 -0.40 0.08 0.00 -0.00 0.00 0.00 57.03 57.02 1lky h ASP 79 Cb 0.31 -0.22 -0.06 0.00 -0.00 0.00 0.00 39.33 39.35 1lky h ASP 79 CO -0.25 1.02 0.38 0.58 -0.00 0.00 0.00 179.24 180.97 1lky h VAL 80 N 0.58 0.91 -0.26 4.15 2.07 -1.82 0.30 116.25 122.18 1lky h VAL 80 Ca 0.09 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1lky h VAL 80 Cb 0.71 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1lky h VAL 80 CO 0.05 0.12 -0.10 -0.07 0.02 0.00 0.00 177.57 177.59 1lky h LEU 81 N 0.66 0.41 0.03 2.57 3.38 -1.02 0.11 115.31 121.45 1lky h LEU 81 Ca 0.33 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1lky h LEU 81 Cb 0.28 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1lky h LEU 81 CO -0.23 0.55 -0.02 0.22 0.09 0.00 0.00 178.44 179.06 1lky h TYR 82 N 0.40 -0.04 -0.44 1.13 3.20 0.62 -1.45 116.97 120.38 1lky h TYR 82 Ca 0.08 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1lky h TYR 82 Cb 0.43 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1lky h TYR 82 CO 0.01 0.44 0.20 0.93 -1.64 0.00 0.00 178.16 178.10 1lky h GLU 83 N -0.53 0.61 -0.33 1.82 4.39 -0.34 -1.45 114.58 118.74 1lky h GLU 83 Ca -0.00 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1lky h GLU 83 Cb 0.49 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1lky h GLU 83 CO 0.01 0.49 0.04 1.25 -1.16 0.00 0.00 179.01 179.63 1lky h LEU 84 N 0.61 0.54 -1.09 1.33 5.85 -0.74 -1.89 115.31 119.93 1lky h LEU 84 Ca 0.15 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1lky h LEU 84 Cb 0.08 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1lky h LEU 84 CO -0.02 0.68 0.36 0.25 -0.34 0.00 0.00 178.44 179.37 1lky h LEU 85 N 0.38 0.90 -0.15 2.25 5.85 -0.62 -1.74 115.31 122.18 1lky h LEU 85 Ca 0.10 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1lky h LEU 85 Cb 0.38 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1lky h LEU 85 CO 0.01 0.75 0.05 1.56 -0.34 0.00 0.00 178.44 180.47 1lky h GLN 86 N 1.00 0.22 -0.73 1.25 1.08 -1.02 -1.91 115.11 115.00 1lky h GLN 86 Ca 0.25 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.42 1lky h GLN 86 Cb 0.07 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 1lky h GLN 86 CO -0.04 0.34 0.49 0.45 -0.95 0.00 0.00 178.83 179.12 1lky h HIS 87 N 0.06 0.91 -0.32 2.96 3.86 -1.09 0.35 115.15 121.89 1lky h HIS 87 Ca 0.05 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 1lky h HIS 87 Cb 0.21 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1lky h HIS 87 CO -0.01 0.56 -0.03 0.82 0.86 0.00 0.00 177.93 180.14 1lky h ILE 88 N 0.97 1.20 -0.01 2.45 2.04 -0.96 0.17 117.51 123.37 1lky h ILE 88 Ca 0.27 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1lky h ILE 88 Cb -0.08 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1lky h ILE 88 CO -0.06 0.28 -0.09 -0.07 0.00 0.00 0.00 178.15 178.20 1lky h LEU 89 N 0.47 0.10 -0.29 1.44 3.38 -0.44 -3.33 115.31 116.65 1lky h LEU 89 Ca 0.10 -0.70 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 1lky h LEU 89 Cb 0.36 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1lky h LEU 89 CO 0.01 0.78 0.12 0.11 0.09 0.00 0.00 178.44 179.56 1lky h LYS 90 N -0.58 0.43 0.00 1.13 1.57 -0.86 -3.52 116.57 114.75 1lky h LYS 90 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1lky h LYS 90 Cb 0.78 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1lky h LYS 90 CO 0.02 0.44 0.00 0.94 -0.57 0.00 0.00 179.45 180.28