#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qlk s SER 1 N 0.00 0.92 0.38 7.83 0.01 -1.26 -5.03 113.70 116.56 1qlk s SER 1 Ca 0.00 -1.49 0.05 0.00 1.31 0.00 0.00 55.95 55.82 1qlk s SER 1 Cb 0.00 0.68 0.76 0.00 0.21 0.00 0.00 66.02 67.67 1qlk s SER 1 CO 0.00 -1.33 2.04 -0.33 0.41 0.00 0.00 173.24 174.03 1qlk h GLU 2 N 2.09 0.67 -0.57 12.44 5.08 -2.06 -2.39 114.58 129.84 1qlk h GLU 2 Ca -0.28 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1qlk h GLU 2 Cb 1.24 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1qlk h GLU 2 CO 0.39 0.44 0.37 1.25 -1.00 0.00 0.00 179.01 180.46 1qlk h LEU 3 N 0.69 0.62 -0.69 1.33 6.46 -2.00 -1.08 115.31 120.65 1qlk h LEU 3 Ca 0.19 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 1qlk h LEU 3 Cb -0.08 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.67 1qlk h LEU 3 CO -0.04 0.45 0.41 -0.08 -0.62 0.00 0.00 178.44 178.56 1qlk h GLU 4 N 0.74 0.94 -0.87 1.25 4.81 -1.83 -2.38 114.58 117.24 1qlk h GLU 4 Ca 0.21 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1qlk h GLU 4 Cb -0.06 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.09 1qlk h GLU 4 CO -0.06 0.68 0.44 0.87 -0.73 0.00 0.00 179.01 180.21 1qlk h LYS 5 N 0.94 1.24 -1.01 1.92 1.57 -1.25 -2.48 116.57 117.51 1qlk h LYS 5 Ca 0.25 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1qlk h LYS 5 Cb -0.02 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.01 1qlk h LYS 5 CO -0.05 0.94 0.67 0.00 -0.57 0.00 0.00 179.45 180.44 1qlk h ALA 6 N 1.24 1.28 -0.93 3.86 0.00 -0.71 -0.21 119.26 123.79 1qlk h ALA 6 Ca 0.30 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1qlk h ALA 6 Cb 0.09 -0.40 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 1qlk h ALA 6 CO -0.04 0.66 0.61 0.52 0.00 0.00 0.00 179.25 181.00 1qlk h MET 7 N 1.36 1.23 -0.40 0.00 2.86 -1.09 -0.76 114.93 118.12 1qlk h MET 7 Ca 0.37 -0.08 -0.16 0.00 -2.06 0.00 0.00 59.70 57.78 1qlk h MET 7 Cb -0.15 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.23 1qlk h MET 7 CO -0.08 0.81 -0.36 0.28 1.06 0.00 0.00 176.91 178.62 1qlk h VAL 8 N 1.26 1.27 -0.81 -2.22 2.07 -1.19 -3.12 116.25 113.52 1qlk h VAL 8 Ca 0.34 -1.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 1qlk h VAL 8 Cb -0.14 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1qlk h VAL 8 CO -0.07 0.52 0.38 0.00 0.02 0.00 0.00 177.57 178.41 1qlk h ALA 9 N 0.78 1.05 -0.72 1.67 0.00 -0.40 -2.67 119.26 118.97 1qlk h ALA 9 Ca 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1qlk h ALA 9 Cb 0.96 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1qlk h ALA 9 CO 0.09 0.62 0.48 1.25 0.00 0.00 0.00 179.25 181.69 1qlk h LEU 10 N 1.16 0.83 -0.61 0.00 5.85 -1.11 -2.57 115.31 118.86 1qlk h LEU 10 Ca 0.28 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.88 1qlk h LEU 10 Cb 0.13 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1qlk h LEU 10 CO -0.03 0.60 0.01 0.40 -0.34 0.00 0.00 178.44 179.08 1qlk h ILE 11 N 0.98 1.27 -0.68 4.05 2.04 -1.45 -2.86 117.51 120.86 1qlk h ILE 11 Ca 0.26 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 1qlk h ILE 11 Cb -0.11 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1qlk h ILE 11 CO -0.06 0.41 0.31 0.44 0.00 0.00 0.00 178.15 179.26 1qlk h ASP 12 N 0.96 0.90 -0.80 1.72 3.32 -1.19 -2.73 116.42 118.60 1qlk h ASP 12 Ca 0.17 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1qlk h ASP 12 Cb 0.55 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1qlk h ASP 12 CO 0.03 0.79 0.31 0.58 -1.72 0.00 0.00 179.24 179.23 1qlk h VAL 13 N 0.94 1.26 -0.82 -1.35 2.07 -1.38 -2.82 116.25 114.16 1qlk h VAL 13 Ca 0.23 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1qlk h VAL 13 Cb 0.15 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1qlk h VAL 13 CO -0.03 0.34 0.54 0.15 0.02 0.00 0.00 177.57 178.60 1qlk h PHE 14 N 1.16 1.03 -0.68 1.57 3.57 -1.26 -2.76 116.94 119.58 1qlk h PHE 14 Ca 0.26 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 1qlk h PHE 14 Cb 0.23 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1qlk h PHE 14 CO 0.02 0.65 0.12 1.25 -2.23 0.00 0.00 178.31 178.12 1qlk h HIS 15 N 1.11 1.19 -1.00 0.41 2.76 -1.26 -3.00 115.15 115.36 1qlk h HIS 15 Ca 0.30 -0.16 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1qlk h HIS 15 Cb -0.13 -0.33 -0.05 0.00 1.55 0.00 0.00 27.41 28.45 1qlk h HIS 15 CO -0.02 0.99 0.66 1.96 -1.30 0.00 0.00 177.93 180.23 1qlk h GLN 16 N 1.05 1.32 -0.28 5.26 1.08 -1.30 -2.40 115.11 119.83 1qlk h GLN 16 Ca 0.21 -0.08 -0.12 0.00 -1.45 0.00 0.00 58.65 57.21 1qlk h GLN 16 Cb 0.44 -0.30 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1qlk h GLN 16 CO 0.01 0.87 -0.32 1.88 -0.95 0.00 0.00 178.83 180.33 1qlk h TYR 17 N 1.36 0.69 -0.82 2.96 0.05 -1.45 -2.95 116.97 116.80 1qlk h TYR 17 Ca 0.37 -0.17 0.01 0.00 0.05 0.00 0.00 58.73 58.98 1qlk h TYR 17 Cb -0.15 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.39 1qlk h TYR 17 CO -0.00 0.84 0.54 1.03 -1.05 0.00 0.00 178.16 179.52 1qlk h SER 18 N 0.51 0.95 0.00 3.88 0.87 -1.30 -1.12 113.55 117.34 1qlk h SER 18 Ca 0.06 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1qlk h SER 18 Cb 0.80 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1qlk h SER 18 CO 0.07 0.69 0.00 0.61 -0.53 0.00 0.00 176.83 177.66 1qlk n GLY 19 N -1.40 -0.75 0.04 5.77 0.00 -1.11 -2.80 105.19 104.94 1qlk n GLY 19 Ca 0.09 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1qlk n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1qlk h ARG 20 N 0.00 -0.01 -0.59 1.61 2.47 -1.27 -2.86 114.38 113.72 1qlk h ARG 20 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1qlk h ARG 20 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1qlk h ARG 20 CO 0.00 -0.00 0.00 0.39 0.56 0.00 0.00 179.97 180.92 1qlk n GLU 21 N -5.09 2.72 -0.66 0.04 -0.58 -1.25 -4.90 120.64 110.91 1qlk n GLU 21 Ca -0.07 -2.45 0.00 0.00 -0.42 0.00 0.00 57.16 54.22 1qlk n GLU 21 Cb 0.03 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 1qlk n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qlk n GLY 22 N 1.33 0.82 3.52 0.62 0.00 -1.08 -4.96 105.19 105.43 1qlk n GLY 22 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1qlk n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qlk s ASP 23 N -2.92 6.86 -0.93 1.61 1.01 -1.12 -4.91 116.67 116.27 1qlk s ASP 23 Ca 0.00 -2.48 -0.20 0.00 0.71 0.00 0.00 52.55 50.58 1qlk s ASP 23 Cb 0.00 -2.49 0.10 0.00 1.01 0.00 0.00 42.92 41.54 1qlk s ASP 23 CO 0.00 -1.04 1.20 -0.54 0.21 0.00 0.00 175.17 175.00 1qlk s LYS 24 N 3.18 3.55 0.16 8.23 1.02 -1.25 -4.26 119.74 130.36 1qlk s LYS 24 Ca 0.46 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.97 1qlk s LYS 24 Cb 0.00 -4.97 0.00 0.00 -0.52 0.00 0.00 37.83 32.34 1qlk s LYS 24 CO 0.01 -1.90 0.00 1.58 -0.92 0.00 0.00 175.35 174.12 1qlk n HIS 25 N 7.33 -3.18 -3.80 3.18 -0.00 -1.26 -5.07 115.22 112.42 1qlk n HIS 25 Ca 0.24 0.55 -0.09 0.00 0.46 0.00 0.00 57.72 58.87 1qlk n HIS 25 Cb 0.49 1.68 -0.06 0.00 -0.12 0.00 0.00 29.99 31.98 1qlk n HIS 25 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1qlk s LYS 26 N -1.95 0.91 -0.13 1.57 -2.85 -1.26 -4.96 119.74 111.06 1qlk s LYS 26 Ca 0.00 -0.89 -0.10 0.00 -1.00 0.00 0.00 55.97 53.98 1qlk s LYS 26 Cb 0.00 0.38 -0.05 0.00 -2.06 0.00 0.00 37.83 36.10 1qlk s LYS 26 CO 0.00 -0.31 0.19 -0.51 0.10 0.00 0.00 175.35 174.82 1qlk s LEU 27 N -2.85 4.33 0.52 2.77 1.02 -1.22 -4.93 118.68 118.32 1qlk s LEU 27 Ca 0.05 0.46 0.02 0.00 0.02 0.00 0.00 54.13 54.68 1qlk s LEU 27 Cb 0.04 -2.18 0.03 0.00 0.02 0.00 0.00 46.19 44.10 1qlk s LEU 27 CO -0.11 0.29 0.73 -1.59 0.02 0.00 0.00 176.35 175.68 1qlk s LYS 28 N -0.42 2.64 0.37 1.70 -2.85 -1.26 -2.27 119.74 117.65 1qlk s LYS 28 Ca 0.14 -0.84 0.04 0.00 -1.00 0.00 0.00 55.97 54.32 1qlk s LYS 28 Cb -0.12 -2.54 0.72 0.00 -2.06 0.00 0.00 37.83 33.82 1qlk s LYS 28 CO 0.03 -0.59 2.03 1.57 0.10 0.00 0.00 175.35 178.49 1qlk h LYS 29 N 0.21 0.72 -0.81 1.78 2.10 -1.93 -1.38 116.57 117.24 1qlk h LYS 29 Ca -0.42 -0.04 0.01 0.00 -2.00 0.00 0.00 60.65 58.19 1qlk h LYS 29 Cb 1.29 -0.16 -0.04 0.00 -0.90 0.00 0.00 32.23 32.42 1qlk h LYS 29 CO 0.51 0.48 0.54 1.03 -2.00 0.00 0.00 179.45 180.01 1qlk h SER 30 N 0.74 0.93 0.27 7.07 0.87 -1.94 -0.93 113.55 120.55 1qlk h SER 30 Ca 0.20 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 1qlk h SER 30 Cb -0.08 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.63 1qlk h SER 30 CO -0.04 0.67 -0.47 -0.33 -0.53 0.00 0.00 176.83 176.13 1qlk h GLU 31 N 1.10 0.25 -1.01 2.24 5.08 -1.75 -2.97 114.58 117.51 1qlk h GLU 31 Ca 0.30 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1qlk h GLU 31 Cb -0.12 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 1qlk h GLU 31 CO -0.07 0.67 0.67 1.25 -1.00 0.00 0.00 179.01 180.53 1qlk h LEU 32 N 0.20 1.15 -0.41 1.33 5.85 -0.14 -0.59 115.31 122.70 1qlk h LEU 32 Ca 0.01 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1qlk h LEU 32 Cb 0.91 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1qlk h LEU 32 CO 0.07 0.83 0.23 0.50 -0.34 0.00 0.00 178.44 179.73 1qlk h LYS 33 N 1.36 0.45 -0.35 1.25 1.63 -1.21 0.33 116.57 120.03 1qlk h LYS 33 Ca 0.37 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 60.09 1qlk h LYS 33 Cb -0.15 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.36 1qlk h LYS 33 CO -0.08 0.30 0.01 1.49 -3.45 0.00 0.00 179.45 177.71 1qlk h GLU 34 N 0.46 0.61 -0.00 1.90 4.57 -1.46 -2.23 114.58 118.43 1qlk h GLU 34 Ca 0.17 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1qlk h GLU 34 Cb 0.04 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1qlk h GLU 34 CO -0.09 0.72 0.00 1.25 -1.18 0.00 0.00 179.01 179.71 1qlk h LEU 35 N 0.42 0.00 -0.45 1.64 6.46 -0.68 0.48 115.31 123.18 1qlk h LEU 35 Ca 0.10 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1qlk h LEU 35 Cb 0.44 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1qlk h LEU 35 CO 0.02 0.00 0.26 0.40 -0.62 0.00 0.00 178.44 178.50 1qlk h ILE 36 N 0.00 1.15 -0.33 4.05 2.04 -0.93 0.39 117.51 123.89 1qlk h ILE 36 Ca 0.00 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 1qlk h ILE 36 Cb 0.00 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1qlk h ILE 36 CO -0.00 0.15 -0.11 -1.13 0.00 0.00 0.00 178.15 177.06 1qlk h ASN 37 N 0.59 0.66 -0.48 1.72 -0.73 -1.21 -1.17 115.58 114.96 1qlk h ASN 37 Ca 0.16 -0.38 -0.14 0.00 1.87 0.00 0.00 56.30 57.81 1qlk h ASN 37 Cb 0.02 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.42 1qlk h ASN 37 CO -0.03 0.89 -0.23 -1.13 -0.37 0.00 0.00 177.43 176.56 1qlk h ASN 38 N 0.42 1.03 0.00 1.15 -1.24 0.19 -3.38 115.58 113.76 1qlk h ASN 38 Ca 0.08 -0.40 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1qlk h ASN 38 Cb 0.62 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 39.39 1qlk h ASN 38 CO 0.04 1.21 0.00 1.21 -1.29 0.00 0.00 177.43 178.59 1qlk n GLU 39 N -4.11 0.00 -3.74 6.67 4.07 0.14 -4.84 120.64 118.82 1qlk n GLU 39 Ca -0.00 0.44 -0.36 0.00 -0.06 0.00 0.00 57.16 57.18 1qlk n GLU 39 Cb 0.47 -0.94 -0.09 0.00 -0.06 0.00 0.00 31.44 30.82 1qlk n GLU 39 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1qlk s LEU 40 N -3.63 4.05 0.00 4.31 1.43 -0.45 -4.89 118.68 119.51 1qlk s LEU 40 Ca 0.00 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1qlk s LEU 40 Cb 0.00 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1qlk s LEU 40 CO 0.00 0.11 0.00 -0.24 0.23 0.00 0.00 176.35 176.45 1qlk n SER 41 N 3.98 0.00 -0.28 2.29 2.88 -1.26 -4.08 113.62 117.16 1qlk n SER 41 Ca -0.16 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.34 1qlk n SER 41 Cb 0.52 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.05 1qlk n SER 41 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 1qlk h HIS 42 N 0.00 1.03 -0.38 0.66 -0.00 -1.93 -2.50 115.15 112.02 1qlk h HIS 42 Ca 0.00 -0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.20 1qlk h HIS 42 Cb 0.00 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.07 1qlk h HIS 42 CO 0.00 0.70 -0.40 0.74 -0.00 0.00 0.00 177.93 178.96 1qlk h PHE 43 N 1.06 1.13 -3.32 6.12 0.04 -1.97 -3.42 116.94 116.58 1qlk h PHE 43 Ca 0.28 -0.35 -0.53 0.00 2.80 0.00 0.00 57.97 60.17 1qlk h PHE 43 Cb -0.02 -0.24 -0.35 0.00 2.20 0.00 0.00 35.95 37.55 1qlk h PHE 43 CO -0.01 1.18 -0.81 -0.51 -0.60 0.00 0.00 178.31 177.56 1qlk s LEU 44 N -8.87 1.50 0.00 1.54 1.43 -0.95 -4.98 118.68 108.36 1qlk s LEU 44 Ca -0.11 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1qlk s LEU 44 Cb 0.11 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.46 1qlk s LEU 44 CO 0.88 -0.02 0.58 -1.84 0.23 0.00 0.00 176.35 176.18 1qlk n GLU 45 N 4.25 0.00 0.03 1.70 0.28 -1.20 -4.02 120.64 121.68 1qlk n GLU 45 Ca -0.19 -0.48 0.12 0.00 -0.16 0.00 0.00 57.16 56.45 1qlk n GLU 45 Cb 0.51 -0.31 0.27 0.00 1.43 0.00 0.00 31.44 33.34 1qlk n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1qlk n GLU 46 N 0.00 0.13 -2.40 3.44 2.13 -1.26 -4.85 120.64 117.84 1qlk n GLU 46 Ca 0.00 0.04 -0.42 0.00 0.66 0.00 0.00 57.16 57.44 1qlk n GLU 46 Cb 0.57 -1.59 -0.03 0.00 0.27 0.00 0.00 31.44 30.66 1qlk n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1qlk s ILE 47 N -3.07 4.02 0.00 6.31 1.01 -1.26 -4.78 121.20 123.43 1qlk s ILE 47 Ca 0.09 1.42 0.00 0.00 0.00 0.00 0.00 60.65 62.17 1qlk s ILE 47 Cb 0.16 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1qlk s ILE 47 CO 0.68 0.07 0.00 1.17 0.00 0.00 0.00 174.94 176.86 1qlk n LYS 48 N 4.39 0.00 -3.10 2.79 4.81 -1.26 -5.11 118.16 120.68 1qlk n LYS 48 Ca 0.10 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.20 1qlk n LYS 48 Cb 0.46 -0.11 -0.06 0.00 0.02 0.00 0.00 35.03 35.34 1qlk n LYS 48 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1qlk s GLU 49 N -1.58 4.11 0.38 1.64 2.02 -1.26 -4.96 118.70 119.05 1qlk s GLU 49 Ca 0.00 0.77 0.17 0.00 0.02 0.00 0.00 54.97 55.94 1qlk s GLU 49 Cb 0.00 -2.57 0.76 0.00 0.10 0.00 0.00 34.13 32.43 1qlk s GLU 49 CO 0.00 0.22 1.80 -0.56 0.02 0.00 0.00 175.26 176.74 1qlk h GLN 50 N 2.62 0.00 -1.00 1.61 -0.00 -2.01 -3.03 115.11 113.30 1qlk h GLN 50 Ca -0.48 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.18 1qlk h GLN 50 Cb 1.18 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.61 1qlk h GLN 50 CO 0.65 0.37 0.66 1.49 -0.00 0.00 0.00 178.83 182.00 1qlk h GLU 51 N 0.00 1.33 -0.62 0.06 4.81 -2.01 -2.30 114.58 115.85 1qlk h GLU 51 Ca -0.00 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1qlk h GLU 51 Cb 0.77 -0.30 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1qlk h GLU 51 CO 0.05 0.88 0.32 0.28 -0.73 0.00 0.00 179.01 179.81 1qlk h VAL 52 N 1.36 1.21 -1.01 0.32 2.07 -1.94 -2.53 116.25 115.73 1qlk h VAL 52 Ca 0.37 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1qlk h VAL 52 Cb -0.15 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.01 1qlk h VAL 52 CO -0.08 0.23 0.67 0.58 0.02 0.00 0.00 177.57 178.99 1qlk h VAL 53 N 0.84 1.26 -0.49 2.57 2.07 -1.51 -2.26 116.25 118.73 1qlk h VAL 53 Ca 0.21 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1qlk h VAL 53 Cb 0.07 -0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 29.59 1qlk h VAL 53 CO -0.03 0.25 0.32 -0.78 0.02 0.00 0.00 177.57 177.35 1qlk h ASP 54 N 1.37 0.56 -0.22 0.57 1.82 -1.06 1.03 116.42 120.49 1qlk h ASP 54 Ca 0.37 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.00 1qlk h ASP 54 Cb -0.16 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 39.70 1qlk h ASP 54 CO -0.08 0.41 0.15 0.50 -1.61 0.00 0.00 179.24 178.60 1qlk h LYS 55 N 0.66 0.30 -0.35 0.28 3.64 -1.19 0.15 116.57 120.06 1qlk h LYS 55 Ca 0.18 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 1qlk h LYS 55 Cb -0.08 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1qlk h LYS 55 CO -0.04 0.20 -0.35 0.28 -2.27 0.00 0.00 179.45 177.27 1qlk h VAL 56 N 0.30 1.28 -0.36 2.00 2.07 -1.04 -2.73 116.25 117.77 1qlk h VAL 56 Ca 0.08 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1qlk h VAL 56 Cb -0.03 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1qlk h VAL 56 CO -0.02 0.50 0.23 -0.03 0.02 0.00 0.00 177.57 178.27 1qlk h MET 57 N 0.64 0.47 -1.00 1.57 1.85 0.14 -2.08 114.93 116.53 1qlk h MET 57 Ca 0.05 -0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.12 1qlk h MET 57 Cb 0.94 -0.10 -0.05 0.00 0.43 0.00 0.00 31.60 32.81 1qlk h MET 57 CO 0.09 0.33 0.66 1.49 -0.40 0.00 0.00 176.91 179.08 1qlk h GLU 58 N 0.47 1.32 -0.79 0.39 4.81 -0.68 0.13 114.58 120.23 1qlk h GLU 58 Ca 0.13 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1qlk h GLU 58 Cb -0.03 -0.30 -0.03 0.00 0.63 0.00 0.00 28.75 29.02 1qlk h GLU 58 CO -0.03 0.87 0.31 1.15 -0.73 0.00 0.00 179.01 180.59 1qlk h THR 59 N 1.36 1.26 0.00 0.32 2.02 -1.13 -2.18 112.91 114.55 1qlk h THR 59 Ca 0.37 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1qlk h THR 59 Cb -0.15 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1qlk h THR 59 CO -0.08 0.34 -0.10 -0.11 0.37 0.00 0.00 175.52 175.94 1qlk n LEU 60 N -4.28 0.78 -4.55 2.58 7.94 -0.82 -4.64 117.00 114.01 1qlk n LEU 60 Ca 0.07 0.52 -0.41 0.00 -1.11 0.00 0.00 56.01 55.08 1qlk n LEU 60 Cb 0.19 -0.30 -0.03 0.00 0.53 0.00 0.00 43.42 43.81 1qlk n LEU 60 CO 0.41 -0.16 1.26 -0.62 -1.11 0.00 0.00 177.39 177.17 1qlk s ASP 61 N -4.45 6.15 0.11 1.96 -1.08 0.40 -4.79 116.67 114.96 1qlk s ASP 61 Ca 0.10 -0.58 0.11 0.00 -0.52 0.00 0.00 52.55 51.65 1qlk s ASP 61 Cb 0.13 -2.56 -0.16 0.00 -1.46 0.00 0.00 42.92 38.87 1qlk s ASP 61 CO 0.61 -1.83 1.14 -0.08 0.52 0.00 0.00 175.17 175.53 1qlk h GLU 62 N 10.34 0.00 -0.00 4.34 4.81 -1.83 -3.25 114.58 128.99 1qlk h GLU 62 Ca -0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1qlk h GLU 62 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1qlk h GLU 62 CO 1.30 0.73 -0.36 -0.25 -0.73 0.00 0.00 179.01 179.70 1qlk n ASP 63 N -3.22 0.50 -0.97 1.04 8.00 -1.26 -4.90 116.55 115.73 1qlk n ASP 63 Ca -0.04 -0.25 -0.13 0.00 0.71 0.00 0.00 54.79 55.08 1qlk n ASP 63 Cb 0.92 0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 42.06 1qlk n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qlk n GLY 64 N 1.46 1.23 0.30 0.44 0.00 -1.23 -4.79 105.19 102.61 1qlk n GLY 64 Ca 0.07 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1qlk n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qlk n ASP 65 N -1.08 1.16 -1.23 1.61 5.75 -1.26 -4.93 116.55 116.57 1qlk n ASP 65 Ca -0.13 -1.04 -0.11 0.00 -0.01 0.00 0.00 54.79 53.51 1qlk n ASP 65 Cb 0.58 0.12 -0.00 0.00 -1.03 0.00 0.00 41.12 40.78 1qlk n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qlk n GLY 66 N 1.31 -0.06 3.07 6.12 0.00 -1.26 -5.02 105.19 109.35 1qlk n GLY 66 Ca 0.13 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1qlk n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qlk s GLU 67 N -4.56 0.59 -0.32 1.61 2.02 -1.26 -4.34 118.70 112.43 1qlk s GLU 67 Ca 0.01 -0.70 -0.10 0.00 0.02 0.00 0.00 54.97 54.21 1qlk s GLU 67 Cb -0.00 -0.44 -0.00 0.00 0.10 0.00 0.00 34.13 33.79 1qlk s GLU 67 CO 0.01 0.09 0.16 0.00 0.02 0.00 0.00 175.26 175.54 1qlk s ASP 69 N 1.60 5.32 0.15 0.00 1.01 -1.26 -3.38 116.67 120.12 1qlk s ASP 69 Ca 0.04 0.37 -0.16 0.00 0.71 0.00 0.00 52.55 53.51 1qlk s ASP 69 Cb -0.17 -1.28 0.01 0.00 1.01 0.00 0.00 42.92 42.49 1qlk s ASP 69 CO 0.06 -1.18 1.82 0.15 0.21 0.00 0.00 175.17 176.23 1qlk h PHE 70 N -0.13 0.50 -0.40 4.23 3.04 -1.95 0.43 116.94 122.66 1qlk h PHE 70 Ca -0.44 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.52 1qlk h PHE 70 Cb 1.28 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.60 1qlk h PHE 70 CO 0.40 0.32 0.26 0.37 -2.02 0.00 0.00 178.31 177.64 1qlk h GLN 71 N 0.54 0.53 -0.80 1.11 4.15 -2.01 -1.97 115.11 116.67 1qlk h GLN 71 Ca 0.15 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 1qlk h GLN 71 Cb -0.06 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.47 1qlk h GLN 71 CO -0.03 0.35 0.36 0.93 -1.93 0.00 0.00 178.83 178.52 1qlk h GLU 72 N 0.54 1.16 -0.93 1.69 5.08 -1.79 -2.52 114.58 117.82 1qlk h GLU 72 Ca 0.15 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1qlk h GLU 72 Cb -0.05 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 28.95 1qlk h GLU 72 CO -0.03 0.90 0.61 0.35 -1.00 0.00 0.00 179.01 179.84 1qlk h PHE 73 N 1.14 1.17 -0.82 4.33 3.57 0.49 -1.78 116.94 125.03 1qlk h PHE 73 Ca 0.27 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.81 1qlk h PHE 73 Cb 0.14 -0.39 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 1qlk h PHE 73 CO 0.02 0.74 0.54 1.98 -2.23 0.00 0.00 178.31 179.35 1qlk h MET 74 N 1.26 1.09 -1.01 1.11 4.05 -0.94 -2.20 114.93 118.29 1qlk h MET 74 Ca 0.34 -0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.72 1qlk h MET 74 Cb -0.14 -0.24 -0.06 0.00 -0.80 0.00 0.00 31.60 30.36 1qlk h MET 74 CO -0.07 0.72 0.66 0.00 0.23 0.00 0.00 176.91 178.45 1qlk h ALA 75 N 1.48 1.33 -0.19 0.39 0.00 -1.17 0.20 119.26 121.30 1qlk h ALA 75 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1qlk h ALA 75 Cb -0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.29 1qlk h ALA 75 CO -0.06 0.57 0.13 0.35 0.00 0.00 0.00 179.25 180.23 1qlk h PHE 76 N 1.28 0.24 -0.82 0.00 3.57 -1.28 -1.98 116.94 117.94 1qlk h PHE 76 Ca 0.40 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 1qlk h PHE 76 Cb -0.02 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 1qlk h PHE 76 CO -0.00 0.15 0.48 0.28 -2.23 0.00 0.00 178.31 176.99 1qlk h VAL 77 N 0.26 1.23 -1.00 1.41 2.07 -1.26 -2.50 116.25 116.45 1qlk h VAL 77 Ca 0.07 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.10 1qlk h VAL 77 Cb -0.03 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 29.77 1qlk h VAL 77 CO -0.01 0.25 0.66 -1.28 0.02 0.00 0.00 177.57 177.20 1qlk h SER 78 N 1.14 1.10 -0.99 0.57 0.87 -0.26 -1.92 113.55 114.06 1qlk h SER 78 Ca 0.29 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1qlk h SER 78 Cb -0.02 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.64 1qlk h SER 78 CO -0.05 0.75 0.65 0.24 -0.53 0.00 0.00 176.83 177.89 1qlk h MET 79 N 1.27 1.31 -0.47 2.24 2.07 -0.96 -0.33 114.93 120.06 1qlk h MET 79 Ca 0.40 -0.09 -0.14 0.00 -2.07 0.00 0.00 59.70 57.81 1qlk h MET 79 Cb 0.00 -0.29 -0.01 0.00 -1.87 0.00 0.00 31.60 29.43 1qlk h MET 79 CO -0.13 0.88 -0.25 0.28 1.07 0.00 0.00 176.91 178.77 1qlk h VAL 80 N 1.35 1.27 -0.49 -2.22 2.07 -1.36 -2.90 116.25 113.97 1qlk h VAL 80 Ca 0.36 -1.41 -0.13 0.00 0.82 0.00 0.00 66.70 66.33 1qlk h VAL 80 Cb -0.14 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1qlk h VAL 80 CO -0.08 0.49 -0.22 0.71 0.02 0.00 0.00 177.57 178.49 1qlk h THR 81 N 0.85 1.27 -0.96 2.57 1.35 -0.87 -2.97 112.91 114.15 1qlk h THR 81 Ca 0.10 -1.39 0.01 0.00 -0.55 0.00 0.00 66.41 64.58 1qlk h THR 81 Cb 0.83 1.12 -0.05 0.00 -1.73 0.00 0.00 68.15 68.33 1qlk h THR 81 CO 0.07 0.48 0.63 0.71 -0.25 0.00 0.00 175.52 177.16 1qlk h THR 82 N 0.86 1.25 0.00 6.82 1.35 -1.03 -0.94 112.91 121.23 1qlk h THR 82 Ca 0.11 -0.46 -0.01 0.00 -0.55 0.00 0.00 66.41 65.50 1qlk h THR 82 Cb 0.80 -0.16 -0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1qlk h THR 82 CO 0.07 0.24 -0.06 0.00 -0.25 0.00 0.00 175.52 175.51 1qlk h ALA 83 N 1.39 1.80 -2.85 6.62 0.00 -1.35 -3.42 119.26 121.44 1qlk h ALA 83 Ca 0.35 -0.06 -0.52 0.00 0.00 0.00 0.00 54.91 54.68 1qlk h ALA 83 Cb -0.14 -0.01 0.06 0.00 0.00 0.00 0.00 17.79 17.70 1qlk h ALA 83 CO -0.07 0.08 0.66 0.00 0.00 0.00 0.00 179.25 179.92 1qlk n HIS 85 N 1.14 1.53 0.00 0.00 -0.00 -1.26 -4.91 115.22 111.72 1qlk n HIS 85 Ca 0.01 -1.29 0.00 0.00 0.46 0.00 0.00 57.72 56.90 1qlk n HIS 85 Cb 0.42 -0.52 0.00 0.00 -0.12 0.00 0.00 29.99 29.76 1qlk n HIS 85 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1qlk n GLU 86 N -0.70 0.00 0.00 1.57 0.00 -1.26 -4.59 120.64 115.66 1qlk n GLU 86 Ca 0.33 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.62 1qlk n GLU 86 Cb 1.13 -0.53 0.38 0.00 0.00 0.00 0.00 31.44 32.42 1qlk n GLU 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1qlk n PHE 87 N -0.39 0.00 -2.15 4.31 7.35 -1.26 -4.66 117.46 120.66 1qlk n PHE 87 Ca 0.00 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.39 1qlk n PHE 87 Cb 0.00 -0.28 -0.05 0.00 0.35 0.00 0.00 39.48 39.50 1qlk n PHE 87 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1qlk s PHE 88 N -2.90 2.00 0.00 -5.13 2.19 -1.26 -4.50 117.98 108.39 1qlk s PHE 88 Ca 0.15 0.25 0.00 0.00 0.33 0.00 0.00 56.93 57.66 1qlk s PHE 88 Cb 0.18 -4.16 0.00 0.00 -1.31 0.00 0.00 43.02 37.73 1qlk s PHE 88 CO 0.62 -1.63 0.00 -1.91 1.83 0.00 0.00 175.22 174.14 1qlk n GLU 89 N 8.67 0.00 -1.83 10.12 2.13 -1.26 -4.96 120.64 133.52 1qlk n GLU 89 Ca 0.41 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.82 1qlk n GLU 89 Cb 0.47 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.18 1qlk n GLU 89 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1qlk s HIS 90 N 0.33 2.62 0.00 4.31 3.76 -1.26 -5.26 115.29 119.78 1qlk s HIS 90 Ca 0.00 1.19 0.00 0.00 -0.15 0.00 0.00 55.06 56.10 1qlk s HIS 90 Cb 0.00 -4.00 0.00 0.00 1.11 0.00 0.00 32.58 29.69 1qlk s HIS 90 CO 0.00 -2.91 0.00 0.39 -0.85 0.00 0.00 174.74 171.37