#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 6.38 0.25 7.83 0.15 -1.26 -4.90 113.70 122.14 1qlk s SER 1 Ca 0.00 -0.25 -0.06 0.00 0.70 0.00 0.00 55.95 56.34 1qlk s SER 1 Cb 0.00 -2.42 0.25 0.00 -1.71 0.00 0.00 66.02 62.14 1qlk s SER 1 CO 0.00 -1.10 1.91 -0.08 1.20 0.00 0.00 173.24 175.16 1qlk h GLU 2 N 9.17 1.30 -0.11 5.44 4.81 -2.05 -1.94 114.58 131.21 1qlk h GLU 2 Ca -0.26 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 58.91 1qlk h GLU 2 Cb 1.08 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 30.14 1qlk h GLU 2 CO 1.04 0.89 -0.11 1.25 -0.73 0.00 0.00 179.01 181.34 1qlk h LEU 3 N 1.33 -0.35 -0.61 1.64 6.46 -1.99 0.65 115.31 122.43 1qlk h LEU 3 Ca 0.35 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 58.19 1qlk h LEU 3 Cb -0.10 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 1qlk h LEU 3 CO -0.07 -0.15 0.41 -0.08 -0.62 0.00 0.00 178.44 177.92 1qlk h GLU 4 N -0.14 0.80 -0.92 1.25 4.81 -1.91 -1.97 114.58 116.51 1qlk h GLU 4 Ca 0.08 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1qlk h GLU 4 Cb 0.26 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1qlk h GLU 4 CO -0.19 0.53 0.52 -0.22 -0.73 0.00 0.00 179.01 178.92 1qlk h LYS 5 N 0.83 1.27 -0.75 1.92 3.64 -0.52 -2.67 116.57 120.29 1qlk h LYS 5 Ca 0.23 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1qlk h LYS 5 Cb -0.09 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 31.44 1qlk h LYS 5 CO -0.05 0.91 0.49 0.00 -2.27 0.00 0.00 179.45 178.54 1qlk h ALA 6 N 1.29 0.95 -0.86 5.00 0.00 0.10 0.23 119.26 125.97 1qlk h ALA 6 Ca 0.32 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1qlk h ALA 6 Cb 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1qlk h ALA 6 CO -0.05 0.36 0.41 0.52 0.00 0.00 0.00 179.25 180.49 1qlk h MET 7 N 1.01 1.23 -0.47 0.00 2.86 -1.13 -0.36 114.93 118.08 1qlk h MET 7 Ca 0.27 -0.18 -0.14 0.00 -2.06 0.00 0.00 59.70 57.59 1qlk h MET 7 Cb -0.11 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.31 1qlk h MET 7 CO -0.06 0.94 -0.25 0.28 1.06 0.00 0.00 176.91 178.88 1qlk h VAL 8 N 1.22 1.27 -0.87 -2.22 2.07 -1.12 -2.96 116.25 113.64 1qlk h VAL 8 Ca 0.29 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1qlk h VAL 8 Cb 0.12 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1qlk h VAL 8 CO -0.04 0.49 0.43 0.00 0.02 0.00 0.00 177.57 178.48 1qlk h ALA 9 N 0.85 1.13 -0.65 1.67 0.00 0.00 -0.69 119.26 121.57 1qlk h ALA 9 Ca 0.10 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1qlk h ALA 9 Cb 0.84 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1qlk h ALA 9 CO 0.07 0.67 0.43 1.25 0.00 0.00 0.00 179.25 181.67 1qlk h LEU 10 N 1.23 0.75 -0.37 0.00 7.12 -0.93 0.24 115.31 123.35 1qlk h LEU 10 Ca 0.30 -0.02 -0.14 0.00 0.13 0.00 0.00 57.88 58.15 1qlk h LEU 10 Cb 0.09 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.03 1qlk h LEU 10 CO -0.04 0.54 -0.32 0.40 -0.13 0.00 0.00 178.44 178.89 1qlk h ILE 11 N 0.88 1.28 0.00 4.05 2.04 -1.32 -1.82 117.51 122.62 1qlk h ILE 11 Ca 0.24 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 1qlk h ILE 11 Cb -0.10 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1qlk h ILE 11 CO -0.05 0.49 -0.00 -0.78 0.00 0.00 0.00 178.15 177.81 1qlk h ASP 12 N 0.68 -0.00 -0.81 1.72 1.82 -0.65 -2.21 116.42 116.96 1qlk h ASP 12 Ca 0.06 -0.24 -0.03 0.00 -0.39 0.00 0.00 57.03 56.43 1qlk h ASP 12 Cb 0.91 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.88 1qlk h ASP 12 CO 0.08 0.24 0.40 0.58 -1.61 0.00 0.00 179.24 178.93 1qlk h VAL 13 N -0.25 1.25 -0.71 2.25 2.07 -0.57 -2.60 116.25 117.68 1qlk h VAL 13 Ca -0.00 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1qlk h VAL 13 Cb 0.24 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1qlk h VAL 13 CO 0.00 0.30 0.47 0.15 0.02 0.00 0.00 177.57 178.51 1qlk h PHE 14 N 1.14 0.90 0.00 1.57 3.57 -1.23 0.11 116.94 123.00 1qlk h PHE 14 Ca 0.28 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 1qlk h PHE 14 Cb 0.11 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1qlk h PHE 14 CO 0.01 0.57 -0.00 1.25 -2.23 0.00 0.00 178.31 177.91 1qlk h HIS 15 N 0.97 -0.00 -0.55 0.41 2.76 -1.02 1.01 115.15 118.72 1qlk h HIS 15 Ca 0.26 -0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.32 1qlk h HIS 15 Cb -0.11 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 1qlk h HIS 15 CO -0.02 0.00 -0.10 1.96 -1.30 0.00 0.00 177.93 178.47 1qlk h GLN 16 N -0.00 1.04 -0.11 5.26 4.20 -1.32 -2.76 115.11 121.42 1qlk h GLN 16 Ca -0.00 -0.38 -0.11 0.00 0.06 0.00 0.00 58.65 58.22 1qlk h GLN 16 Cb 0.00 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1qlk h GLN 16 CO 0.00 1.08 -0.41 -0.92 -0.67 0.00 0.00 178.83 177.90 1qlk h TYR 17 N 0.92 0.29 -0.38 2.96 3.20 -0.47 -3.06 116.97 120.43 1qlk h TYR 17 Ca 0.14 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1qlk h TYR 17 Cb 0.68 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1qlk h TYR 17 CO 0.05 0.63 0.25 0.77 -1.64 0.00 0.00 178.16 178.22 1qlk h SER 18 N 0.21 0.44 -0.11 -2.11 0.02 0.14 -2.16 113.55 109.97 1qlk h SER 18 Ca 0.02 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qlk h SER 18 Cb 0.82 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 1qlk h SER 18 CO 0.06 0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.68 1qlk n GLY 19 N -1.20 1.79 0.38 -3.77 0.00 -1.15 -4.31 105.19 96.93 1qlk n GLY 19 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 1qlk n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1qlk h ARG 20 N 0.71 1.32 0.00 1.61 1.12 -1.36 -3.45 114.38 114.32 1qlk h ARG 20 Ca 0.00 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 1qlk h ARG 20 Cb 0.79 -0.30 0.00 0.00 -0.01 0.00 0.00 29.97 30.45 1qlk h ARG 20 CO 0.09 0.87 0.00 -1.91 -3.11 0.00 0.00 179.97 175.92 1qlk n GLU 21 N -4.38 3.98 -0.35 0.20 2.13 -1.26 -5.02 120.64 115.93 1qlk n GLU 21 Ca 0.12 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.92 1qlk n GLU 21 Cb 0.01 0.00 0.13 0.00 0.27 0.00 0.00 31.44 31.85 1qlk n GLU 21 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1qlk h GLY 22 N 0.00 1.35 -4.38 8.31 0.00 -1.93 -3.43 103.07 103.00 1qlk h GLY 22 Ca 0.00 -0.51 -0.58 0.00 0.00 0.00 0.00 47.33 46.24 1qlk h GLY 22 CO 0.00 0.50 0.45 2.09 0.00 0.00 0.00 176.54 179.58 1qlk n ASP 23 N -4.39 2.43 0.00 0.19 5.75 -1.26 -4.96 116.55 114.31 1qlk n ASP 23 Ca 0.11 1.18 0.00 0.00 -0.01 0.00 0.00 54.79 56.08 1qlk n ASP 23 Cb 0.02 -1.42 0.00 0.00 -1.03 0.00 0.00 41.12 38.68 1qlk n ASP 23 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1qlk n LYS 24 N 1.00 0.00 -0.91 0.11 4.81 -1.26 -4.36 118.16 117.55 1qlk n LYS 24 Ca 0.08 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.45 1qlk n LYS 24 Cb 0.34 -0.25 0.24 0.00 0.02 0.00 0.00 35.03 35.38 1qlk n LYS 24 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1qlk n HIS 25 N -1.00 1.95 -4.08 5.64 1.44 -1.26 -3.83 115.22 114.08 1qlk n HIS 25 Ca 0.00 -1.39 -0.11 0.00 -2.01 0.00 0.00 57.72 54.20 1qlk n HIS 25 Cb 0.00 -0.63 -0.11 0.00 0.12 0.00 0.00 29.99 29.38 1qlk n HIS 25 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1qlk s LYS 26 N -3.10 0.59 -0.13 -1.40 -2.85 -1.26 -4.87 119.74 106.72 1qlk s LYS 26 Ca 0.51 -0.94 -0.05 0.00 -1.00 0.00 0.00 55.97 54.48 1qlk s LYS 26 Cb 0.42 -0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 1qlk s LYS 26 CO 0.08 0.00 0.06 -0.51 0.10 0.00 0.00 175.35 175.08 1qlk s LEU 27 N -2.10 3.86 0.44 2.77 1.43 -1.20 -4.77 118.68 119.11 1qlk s LEU 27 Ca -0.03 0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1qlk s LEU 27 Cb -0.04 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 1qlk s LEU 27 CO -0.02 0.32 0.66 -0.75 0.23 0.00 0.00 176.35 176.79 1qlk s LYS 28 N -0.52 3.16 0.23 1.70 2.20 -1.26 -3.27 119.74 121.97 1qlk s LYS 28 Ca 0.10 -0.40 -0.08 0.00 -0.36 0.00 0.00 55.97 55.22 1qlk s LYS 28 Cb -0.12 -2.56 0.20 0.00 -1.51 0.00 0.00 37.83 33.85 1qlk s LYS 28 CO 0.02 -0.21 1.90 0.87 -0.36 0.00 0.00 175.35 177.57 1qlk h LYS 29 N 0.43 1.13 -0.90 4.03 1.57 -2.00 -2.46 116.57 118.37 1qlk h LYS 29 Ca -0.47 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 1qlk h LYS 29 Cb 1.24 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.26 1qlk h LYS 29 CO 0.58 0.75 0.54 0.77 -0.57 0.00 0.00 179.45 181.52 1qlk h SER 30 N 1.16 1.08 -1.00 0.86 0.02 -2.00 -2.50 113.55 111.17 1qlk h SER 30 Ca 0.32 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1qlk h SER 30 Cb -0.13 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.09 1qlk h SER 30 CO -0.07 0.83 0.66 -0.33 -1.14 0.00 0.00 176.83 176.78 1qlk h GLU 31 N 1.24 1.32 -0.14 3.45 5.08 -1.83 -0.87 114.58 122.81 1qlk h GLU 31 Ca 0.32 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1qlk h GLU 31 Cb -0.05 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 28.90 1qlk h GLU 31 CO -0.06 0.87 0.09 1.25 -1.00 0.00 0.00 179.01 180.17 1qlk h LEU 32 N 1.35 0.16 -0.67 1.33 5.85 -1.29 0.15 115.31 122.20 1qlk h LEU 32 Ca 0.36 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.09 1qlk h LEU 32 Cb -0.15 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1qlk h LEU 32 CO -0.08 0.12 0.44 0.50 -0.34 0.00 0.00 178.44 179.08 1qlk h LYS 33 N 0.19 0.88 -0.80 1.25 3.64 -1.28 -2.05 116.57 118.39 1qlk h LYS 33 Ca 0.05 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1qlk h LYS 33 Cb -0.02 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.57 1qlk h LYS 33 CO -0.02 0.58 0.32 1.49 -2.27 0.00 0.00 179.45 179.55 1qlk h GLU 34 N 0.91 1.20 -0.69 1.90 4.81 -0.63 -1.85 114.58 120.23 1qlk h GLU 34 Ca 0.25 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1qlk h GLU 34 Cb -0.10 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.05 1qlk h GLU 34 CO -0.05 0.97 0.45 1.25 -0.73 0.00 0.00 179.01 180.90 1qlk h LEU 35 N 1.17 0.79 -0.47 1.64 5.85 -0.14 -1.56 115.31 122.58 1qlk h LEU 35 Ca 0.27 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1qlk h LEU 35 Cb 0.22 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1qlk h LEU 35 CO -0.02 0.57 0.24 0.40 -0.34 0.00 0.00 178.44 179.29 1qlk h ILE 36 N 0.93 1.18 -1.00 4.05 2.04 -0.95 -2.85 117.51 120.91 1qlk h ILE 36 Ca 0.25 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1qlk h ILE 36 Cb -0.11 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 1qlk h ILE 36 CO -0.05 0.19 0.66 0.78 0.00 0.00 0.00 178.15 179.73 1qlk h ASN 37 N 0.61 1.15 0.00 1.72 4.21 -0.76 0.54 115.58 123.06 1qlk h ASN 37 Ca 0.16 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.64 1qlk h ASN 37 Cb 0.09 -0.29 0.00 0.00 -1.12 0.00 0.00 38.32 37.00 1qlk h ASN 37 CO -0.02 0.84 0.00 0.59 -1.29 0.00 0.00 177.43 177.54 1qlk n ASN 38 N -4.38 0.00 0.00 5.81 4.13 -0.64 -4.59 115.26 115.59 1qlk n ASN 38 Ca 0.12 0.42 0.00 0.00 1.68 0.00 0.00 54.58 56.80 1qlk n ASN 38 Cb 0.01 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.25 1qlk n ASN 38 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1qlk n GLU 39 N -0.80 0.00 0.00 3.52 1.02 -1.25 -4.81 120.64 118.33 1qlk n GLU 39 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 1qlk n GLU 39 Cb 0.00 -0.35 0.51 0.00 -0.02 0.00 0.00 31.44 31.58 1qlk n GLU 39 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1qlk n LEU 40 N 0.00 0.47 -0.20 -4.62 4.32 -1.13 -3.74 117.00 112.10 1qlk n LEU 40 Ca 0.00 0.05 -0.10 0.00 -0.02 0.00 0.00 56.01 55.94 1qlk n LEU 40 Cb 0.22 -0.24 0.02 0.00 -1.62 0.00 0.00 43.42 41.80 1qlk n LEU 40 CO 0.00 0.09 0.77 0.77 -1.22 0.00 0.00 177.39 177.81 1qlk h SER 41 N 0.45 1.06 -0.84 -1.43 4.64 -0.16 -1.47 113.55 115.80 1qlk h SER 41 Ca 0.00 -0.34 -0.03 0.00 -0.47 0.00 0.00 61.79 60.96 1qlk h SER 41 Cb 0.43 -0.29 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 1qlk h SER 41 CO 0.00 1.14 0.41 0.45 -0.87 0.00 0.00 176.83 177.97 1qlk h HIS 42 N 0.95 1.20 -0.37 4.77 3.86 -1.84 -2.74 115.15 120.98 1qlk h HIS 42 Ca 0.15 -0.05 -0.16 0.00 -1.16 0.00 0.00 60.37 59.15 1qlk h HIS 42 Cb 0.64 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1qlk h HIS 42 CO 0.04 0.86 -0.41 0.35 0.86 0.00 0.00 177.93 179.63 1qlk h PHE 43 N 1.19 1.12 -3.11 2.45 3.57 -1.70 -3.42 116.94 117.04 1qlk h PHE 43 Ca 0.29 -0.35 -0.62 0.00 3.53 0.00 0.00 57.97 60.83 1qlk h PHE 43 Cb 0.10 -0.23 -0.10 0.00 2.79 0.00 0.00 35.95 38.50 1qlk h PHE 43 CO 0.01 1.18 -0.47 -0.51 -2.23 0.00 0.00 178.31 176.29 1qlk s LEU 44 N -8.85 4.26 0.00 0.59 1.43 -0.57 -5.09 118.68 110.46 1qlk s LEU 44 Ca -0.11 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1qlk s LEU 44 Cb 0.11 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1qlk s LEU 44 CO 0.88 0.23 0.00 1.21 0.23 0.00 0.00 176.35 178.91 1qlk n GLU 45 N 3.10 2.53 0.00 1.70 2.13 -1.26 -4.68 120.64 124.16 1qlk n GLU 45 Ca -0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1qlk n GLU 45 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 1qlk n GLU 45 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1qlk n GLU 46 N 0.00 0.00 -4.06 5.31 1.02 -1.26 -4.82 120.64 116.83 1qlk n GLU 46 Ca 0.00 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.68 1qlk n GLU 46 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.44 1qlk n GLU 46 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1qlk n ILE 47 N 0.00 -2.94 0.10 -3.67 2.08 -1.26 -4.86 119.36 108.82 1qlk n ILE 47 Ca 0.00 -0.63 0.10 0.00 0.56 0.00 0.00 62.75 62.78 1qlk n ILE 47 Cb 0.00 -2.43 -0.14 0.00 -0.75 0.00 0.00 39.64 36.32 1qlk n ILE 47 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1qlk n LYS 48 N -5.02 0.61 -4.12 0.38 5.02 -1.26 -5.01 118.16 108.77 1qlk n LYS 48 Ca -0.11 -0.15 -0.09 0.00 -2.02 0.00 0.00 58.31 55.94 1qlk n LYS 48 Cb 0.56 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 34.03 1qlk n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1qlk s GLU 49 N -3.26 0.70 0.18 1.97 2.02 -1.26 -5.05 118.70 114.00 1qlk s GLU 49 Ca -0.05 -1.23 -0.09 0.00 0.02 0.00 0.00 54.97 53.61 1qlk s GLU 49 Cb 0.12 -0.02 0.06 0.00 0.10 0.00 0.00 34.13 34.39 1qlk s GLU 49 CO 0.79 -0.05 1.62 1.96 0.02 0.00 0.00 175.26 179.60 1qlk h GLN 50 N 3.18 1.07 -0.95 1.61 4.20 -2.02 -2.95 115.11 119.25 1qlk h GLN 50 Ca -0.35 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 58.01 1qlk h GLN 50 Cb 1.16 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.81 1qlk h GLN 50 CO 0.63 1.07 0.63 0.93 -0.67 0.00 0.00 178.83 181.42 1qlk h GLU 51 N 0.97 1.25 -1.01 1.46 4.39 -2.01 -2.43 114.58 117.20 1qlk h GLU 51 Ca 0.16 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.80 1qlk h GLU 51 Cb 0.61 -0.28 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 1qlk h GLU 51 CO 0.04 0.83 0.67 0.28 -1.16 0.00 0.00 179.01 179.66 1qlk h VAL 52 N 1.29 1.26 -0.68 3.13 2.07 -1.94 -2.15 116.25 119.23 1qlk h VAL 52 Ca 0.35 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1qlk h VAL 52 Cb -0.15 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.36 1qlk h VAL 52 CO -0.08 0.25 0.42 0.58 0.02 0.00 0.00 177.57 178.76 1qlk h VAL 53 N 1.36 1.19 -0.55 2.57 2.07 -1.44 -0.44 116.25 121.01 1qlk h VAL 53 Ca 0.37 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 1qlk h VAL 53 Cb -0.15 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1qlk h VAL 53 CO -0.08 0.19 0.07 0.44 0.02 0.00 0.00 177.57 178.21 1qlk h ASP 54 N 0.92 0.89 -0.42 0.57 3.32 -1.36 -2.86 116.42 117.49 1qlk h ASP 54 Ca 0.24 -0.27 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 1qlk h ASP 54 Cb -0.05 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1qlk h ASP 54 CO -0.05 0.94 -0.34 0.11 -1.72 0.00 0.00 179.24 178.19 1qlk h LYS 55 N 0.81 0.97 -0.75 3.56 6.56 -1.13 -3.20 116.57 123.40 1qlk h LYS 55 Ca 0.16 -0.48 0.01 0.00 -1.06 0.00 0.00 60.65 59.28 1qlk h LYS 55 Cb 0.45 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.07 1qlk h LYS 55 CO 0.02 1.15 0.49 0.28 -2.06 0.00 0.00 179.45 179.33 1qlk h VAL 56 N 0.80 1.19 -0.76 0.50 2.07 -0.99 -2.47 116.25 116.59 1qlk h VAL 56 Ca 0.08 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1qlk h VAL 56 Cb 0.93 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1qlk h VAL 56 CO 0.09 0.18 0.50 0.24 0.02 0.00 0.00 177.57 178.60 1qlk h MET 57 N 1.01 1.00 -0.35 1.57 2.86 -1.50 0.20 114.93 119.72 1qlk h MET 57 Ca 0.27 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1qlk h MET 57 Cb -0.11 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.31 1qlk h MET 57 CO -0.06 0.67 0.11 1.49 1.06 0.00 0.00 176.91 180.18 1qlk h GLU 58 N 1.03 0.55 -0.17 1.72 4.81 -1.49 0.52 114.58 121.55 1qlk h GLU 58 Ca 0.28 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1qlk h GLU 58 Cb -0.11 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 1qlk h GLU 58 CO -0.06 0.57 -0.14 1.15 -0.73 0.00 0.00 179.01 179.80 1qlk h THR 59 N 0.42 1.33 -0.21 0.32 2.02 -1.14 -3.20 112.91 112.45 1qlk h THR 59 Ca 0.11 -1.28 -0.14 0.00 0.77 0.00 0.00 66.41 65.87 1qlk h THR 59 Cb 0.25 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1qlk h THR 59 CO -0.00 0.38 -0.47 0.25 0.37 0.00 0.00 175.52 176.05 1qlk h LEU 60 N 0.06 0.60 -9.24 2.58 5.85 -0.56 -3.42 115.31 111.17 1qlk h LEU 60 Ca 0.03 -0.29 -0.55 0.00 0.84 0.00 0.00 57.88 57.91 1qlk h LEU 60 Cb 0.67 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1qlk h LEU 60 CO 0.04 0.98 1.01 -0.62 -0.34 0.00 0.00 178.44 179.50 1qlk s ASP 61 N -6.88 6.76 0.16 1.25 -1.08 0.18 -4.89 116.67 112.17 1qlk s ASP 61 Ca -0.07 2.08 -0.10 0.00 -0.52 0.00 0.00 52.55 53.93 1qlk s ASP 61 Cb 0.12 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 39.06 1qlk s ASP 61 CO 0.83 -0.86 1.57 -0.33 0.52 0.00 0.00 175.17 176.90 1qlk h GLU 62 N 8.98 1.03 0.00 4.34 4.39 -1.84 -3.20 114.58 128.27 1qlk h GLU 62 Ca -0.36 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 58.93 1qlk h GLU 62 Cb 1.16 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1qlk h GLU 62 CO 0.95 1.10 -1.30 -0.40 -1.16 0.00 0.00 179.01 178.21 1qlk n ASP 63 N -4.13 0.51 -3.86 1.42 5.75 -1.26 -4.99 116.55 109.99 1qlk n ASP 63 Ca 0.01 -0.13 -0.34 0.00 -0.01 0.00 0.00 54.79 54.32 1qlk n ASP 63 Cb 0.44 1.10 0.02 0.00 -1.03 0.00 0.00 41.12 41.64 1qlk n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qlk n GLY 64 N 1.32 -0.75 0.44 6.12 0.00 -1.21 -4.83 105.19 106.28 1qlk n GLY 64 Ca 0.00 0.35 0.14 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.63 1.41 0.00 1.61 5.75 -1.26 -4.89 116.55 116.53 1qlk n ASP 65 Ca -0.16 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1qlk n ASP 65 Cb 0.61 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 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 1.20 1.54 3.02 6.12 0.00 -1.26 -5.01 105.19 110.80 1qlk n GLY 66 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.45 0.78 -0.39 1.61 8.01 -1.26 -4.71 118.70 122.28 1qlk s GLU 67 Ca 0.00 -0.33 -0.19 0.00 0.01 0.00 0.00 54.97 54.46 1qlk s GLU 67 Cb 0.00 -0.75 0.01 0.00 -4.31 0.00 0.00 34.13 29.08 1qlk s GLU 67 CO 0.00 0.19 0.58 0.00 0.01 0.00 0.00 175.26 176.04 1qlk s ASP 69 N 1.86 5.02 0.21 0.00 1.01 -1.26 -3.27 116.67 120.25 1qlk s ASP 69 Ca 0.21 0.30 -0.10 0.00 0.71 0.00 0.00 52.55 53.67 1qlk s ASP 69 Cb -0.15 -1.06 0.16 0.00 1.01 0.00 0.00 42.92 42.88 1qlk s ASP 69 CO 0.16 -1.41 1.88 0.15 0.21 0.00 0.00 175.17 176.16 1qlk h PHE 70 N -0.34 0.96 -0.61 4.23 3.04 -1.97 0.76 116.94 123.01 1qlk h PHE 70 Ca -0.44 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.54 1qlk h PHE 70 Cb 1.31 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 39.46 1qlk h PHE 70 CO 0.35 0.60 0.41 0.37 -2.02 0.00 0.00 178.31 178.03 1qlk h GLN 71 N 1.04 0.81 -0.57 1.11 4.15 -2.00 0.77 115.11 120.42 1qlk h GLN 71 Ca 0.28 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.55 1qlk h GLN 71 Cb -0.12 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.37 1qlk h GLN 71 CO -0.06 0.53 -0.07 0.93 -1.93 0.00 0.00 178.83 178.23 1qlk h GLU 72 N 0.83 1.04 -0.90 1.69 5.08 -1.65 -2.53 114.58 118.14 1qlk h GLU 72 Ca 0.23 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1qlk h GLU 72 Cb -0.09 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 1qlk h GLU 72 CO -0.05 1.06 0.59 0.35 -1.00 0.00 0.00 179.01 179.95 1qlk h PHE 73 N 0.94 1.14 -1.01 4.33 3.04 0.14 -0.76 116.94 124.75 1qlk h PHE 73 Ca 0.15 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.14 1qlk h PHE 73 Cb 0.63 -0.38 -0.05 0.00 2.56 0.00 0.00 35.95 38.71 1qlk h PHE 73 CO 0.04 0.72 0.67 1.98 -2.02 0.00 0.00 178.31 179.70 1qlk h MET 74 N 1.22 1.32 -0.63 1.11 4.05 -0.46 -0.56 114.93 120.98 1qlk h MET 74 Ca 0.33 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.65 1qlk h MET 74 Cb -0.13 -0.30 -0.03 0.00 -0.80 0.00 0.00 31.60 30.34 1qlk h MET 74 CO -0.07 0.87 0.33 0.00 0.23 0.00 0.00 176.91 178.27 1qlk h ALA 75 N 1.37 1.39 -0.09 0.39 0.00 -0.91 -1.31 119.26 120.11 1qlk h ALA 75 Ca 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1qlk h ALA 75 Cb -0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 1qlk h ALA 75 CO -0.08 0.49 0.06 0.35 0.00 0.00 0.00 179.25 180.07 1qlk h PHE 76 N 0.88 0.11 -0.32 0.00 3.04 -0.38 -0.12 116.94 120.14 1qlk h PHE 76 Ca 0.22 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 62.04 1qlk h PHE 76 Cb 0.05 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.52 1qlk h PHE 76 CO 0.01 0.07 -0.33 0.28 -2.02 0.00 0.00 178.31 176.32 1qlk h VAL 77 N 0.11 1.29 0.06 1.41 2.07 -1.15 -2.42 116.25 117.61 1qlk h VAL 77 Ca 0.03 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 1qlk h VAL 77 Cb -0.01 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1qlk h VAL 77 CO -0.01 0.49 -0.03 -1.28 0.02 0.00 0.00 177.57 176.76 1qlk h SER 78 N 0.57 -0.06 -0.73 0.57 0.87 -1.09 0.97 113.55 114.64 1qlk h SER 78 Ca 0.05 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1qlk h SER 78 Cb 0.91 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.85 1qlk h SER 78 CO 0.08 0.11 0.42 -0.03 -0.53 0.00 0.00 176.83 176.88 1qlk h MET 79 N -0.23 1.00 -0.06 2.24 1.85 -1.07 0.29 114.93 118.95 1qlk h MET 79 Ca -0.01 -0.10 -0.01 0.00 -0.61 0.00 0.00 59.70 58.97 1qlk h MET 79 Cb 0.20 -0.20 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 1qlk h MET 79 CO 0.01 0.72 0.00 0.28 -0.40 0.00 0.00 176.91 177.53 1qlk h VAL 80 N 1.00 1.24 -0.18 -5.77 2.07 -1.31 0.15 116.25 113.45 1qlk h VAL 80 Ca 0.26 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1qlk h VAL 80 Cb -0.00 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1qlk h VAL 80 CO -0.05 0.20 -0.03 0.74 0.02 0.00 0.00 177.57 178.45 1qlk h THR 81 N -0.18 1.28 -0.72 2.57 2.02 -0.62 -3.09 112.91 114.16 1qlk h THR 81 Ca 0.02 -0.98 -0.07 0.00 0.77 0.00 0.00 66.41 66.15 1qlk h THR 81 Cb 0.32 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1qlk h THR 81 CO 0.00 0.29 0.18 0.74 0.37 0.00 0.00 175.52 177.11 1qlk h THR 82 N 0.07 1.26 -0.05 3.16 2.02 -0.44 -2.46 112.91 116.47 1qlk h THR 82 Ca 0.05 -0.97 0.01 0.00 0.77 0.00 0.00 66.41 66.27 1qlk h THR 82 Cb 0.46 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1qlk h THR 82 CO 0.02 0.38 0.13 0.00 0.37 0.00 0.00 175.52 176.41 1qlk h ALA 83 N 1.10 1.36 -0.23 6.16 0.00 -0.61 -1.77 119.26 125.27 1qlk h ALA 83 Ca 0.23 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 1qlk h ALA 83 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1qlk h ALA 83 CO 0.00 -0.15 -0.47 0.00 0.00 0.00 0.00 179.25 178.63 1qlk n HIS 85 N -4.15 -1.96 -0.82 0.00 1.44 -0.67 -4.83 115.22 104.23 1qlk n HIS 85 Ca -0.05 0.27 0.00 0.00 -2.01 0.00 0.00 57.72 55.93 1qlk n HIS 85 Cb 0.58 -0.48 0.00 0.00 0.12 0.00 0.00 29.99 30.21 1qlk n HIS 85 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1qlk n GLU 86 N -1.05 0.00 -3.73 -1.40 -0.58 -1.26 -4.54 120.64 108.08 1qlk n GLU 86 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 1qlk n GLU 86 Cb 0.10 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 30.89 1qlk n GLU 86 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1qlk s PHE 87 N 0.00 3.41 -0.03 -0.32 0.08 -1.26 -5.07 117.98 114.79 1qlk s PHE 87 Ca 0.00 0.33 -0.26 0.00 0.12 0.00 0.00 56.93 57.12 1qlk s PHE 87 Cb 0.00 -2.17 -0.04 0.00 -0.57 0.00 0.00 43.02 40.25 1qlk s PHE 87 CO 0.00 0.28 0.79 0.12 -0.10 0.00 0.00 175.22 176.32 1qlk s PHE 88 N 0.39 3.63 -0.51 0.36 2.19 -1.26 -5.01 117.98 117.77 1qlk s PHE 88 Ca 0.08 1.42 -0.22 0.00 0.33 0.00 0.00 56.93 58.54 1qlk s PHE 88 Cb -0.11 -2.90 0.04 0.00 -1.31 0.00 0.00 43.02 38.74 1qlk s PHE 88 CO -0.02 0.09 0.79 -2.00 1.83 0.00 0.00 175.22 175.91 1qlk s GLU 89 N 0.71 3.27 0.52 10.12 2.12 -1.26 -5.03 118.70 129.16 1qlk s GLU 89 Ca 0.42 -0.44 -0.20 0.00 0.36 0.00 0.00 54.97 55.11 1qlk s GLU 89 Cb -0.19 -4.04 -0.07 0.00 0.26 0.00 0.00 34.13 30.09 1qlk s GLU 89 CO 0.22 -1.30 1.10 -1.58 -0.54 0.00 0.00 175.26 173.16 1qlk s HIS 90 N 3.33 2.77 -1.04 5.30 5.65 -1.26 -5.32 115.29 124.72 1qlk s HIS 90 Ca 0.25 1.55 0.00 0.00 0.25 0.00 0.00 55.06 57.11 1qlk s HIS 90 Cb -0.15 -3.23 0.00 0.00 -1.18 0.00 0.00 32.58 28.02 1qlk s HIS 90 CO 0.17 -1.36 0.26 0.39 -0.65 0.00 0.00 174.74 173.56