#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qlk n SER 1 N 0.00 -7.05 -0.04 3.17 2.88 -1.26 -4.60 113.62 106.72 1qlk n SER 1 Ca 0.00 0.51 0.01 0.00 -1.33 0.00 0.00 58.87 58.06 1qlk n SER 1 Cb 0.00 -3.67 0.32 0.00 -0.75 0.00 0.00 64.21 60.12 1qlk n SER 1 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1qlk h GLU 2 N 2.54 0.62 -0.53 -1.46 5.08 -2.06 -1.91 114.58 116.86 1qlk h GLU 2 Ca -0.16 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1qlk h GLU 2 Cb 0.90 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1qlk h GLU 2 CO 0.15 0.52 0.34 1.25 -1.00 0.00 0.00 179.01 180.27 1qlk h LEU 3 N 0.62 0.62 -0.92 1.33 7.12 -2.01 -1.46 115.31 120.62 1qlk h LEU 3 Ca 0.15 -0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.12 1qlk h LEU 3 Cb 0.12 -0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.06 1qlk h LEU 3 CO -0.02 0.46 0.52 -0.08 -0.13 0.00 0.00 178.44 179.19 1qlk h GLU 4 N 0.72 1.27 -0.91 1.25 4.81 -1.66 -2.04 114.58 118.01 1qlk h GLU 4 Ca 0.19 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1qlk h GLU 4 Cb -0.06 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 29.02 1qlk h GLU 4 CO -0.04 0.92 0.59 0.87 -0.73 0.00 0.00 179.01 180.62 1qlk h LYS 5 N 1.28 1.21 -0.14 1.92 1.79 -0.80 -1.67 116.57 120.16 1qlk h LYS 5 Ca 0.32 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1qlk h LYS 5 Cb 0.01 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 30.38 1qlk h LYS 5 CO -0.05 0.81 0.09 0.00 -1.08 0.00 0.00 179.45 179.21 1qlk h ALA 6 N 1.41 0.18 -0.65 3.86 0.00 -0.56 0.49 119.26 124.00 1qlk h ALA 6 Ca 0.33 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1qlk h ALA 6 Cb -0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1qlk h ALA 6 CO -0.07 -0.34 0.09 0.52 0.00 0.00 0.00 179.25 179.45 1qlk h MET 7 N 0.18 1.08 -0.04 0.00 2.86 -1.30 -0.15 114.93 117.56 1qlk h MET 7 Ca 0.05 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 1qlk h MET 7 Cb -0.02 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 1qlk h MET 7 CO -0.02 1.00 -0.02 0.28 1.06 0.00 0.00 176.91 179.22 1qlk h VAL 8 N 1.00 1.32 -0.74 -2.22 2.07 -0.94 -2.70 116.25 114.04 1qlk h VAL 8 Ca 0.20 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1qlk h VAL 8 Cb 0.45 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1qlk h VAL 8 CO 0.01 0.27 0.36 0.00 0.02 0.00 0.00 177.57 178.23 1qlk h ALA 9 N 0.61 0.96 -0.93 1.67 0.00 0.05 -2.07 119.26 119.55 1qlk h ALA 9 Ca 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1qlk h ALA 9 Cb 0.45 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1qlk h ALA 9 CO 0.01 0.52 0.60 1.25 0.00 0.00 0.00 179.25 181.64 1qlk h LEU 10 N 1.05 1.08 -0.52 0.00 6.46 -1.02 -1.39 115.31 120.97 1qlk h LEU 10 Ca 0.26 -0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 57.86 1qlk h LEU 10 Cb 0.12 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.76 1qlk h LEU 10 CO -0.03 0.80 -0.14 0.40 -0.62 0.00 0.00 178.44 178.85 1qlk h ILE 11 N 1.27 1.27 -0.65 4.05 2.04 -1.12 -1.94 117.51 122.43 1qlk h ILE 11 Ca 0.34 -1.30 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 1qlk h ILE 11 Cb -0.12 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1qlk h ILE 11 CO -0.07 0.46 0.11 0.44 0.00 0.00 0.00 178.15 179.09 1qlk h ASP 12 N 0.88 1.02 -0.40 1.72 3.32 -0.87 -2.33 116.42 119.76 1qlk h ASP 12 Ca 0.13 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 1qlk h ASP 12 Cb 0.71 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1qlk h ASP 12 CO 0.05 1.02 -0.10 0.58 -1.72 0.00 0.00 179.24 179.07 1qlk h VAL 13 N 0.99 1.28 -0.81 -1.35 2.07 -1.16 -2.24 116.25 115.03 1qlk h VAL 13 Ca 0.20 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1qlk h VAL 13 Cb 0.43 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1qlk h VAL 13 CO 0.01 0.40 0.50 0.15 0.02 0.00 0.00 177.57 178.65 1qlk h PHE 14 N 0.59 1.05 -0.52 1.57 3.57 -1.23 -2.32 116.94 119.65 1qlk h PHE 14 Ca 0.10 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 1qlk h PHE 14 Cb 0.63 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1qlk h PHE 14 CO 0.05 0.70 -0.04 0.45 -2.23 0.00 0.00 178.31 177.23 1qlk h HIS 15 N 1.10 1.00 0.56 0.41 3.86 -1.32 -0.34 115.15 120.43 1qlk h HIS 15 Ca 0.29 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1qlk h HIS 15 Cb -0.06 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 28.15 1qlk h HIS 15 CO -0.01 0.92 -0.27 0.37 0.86 0.00 0.00 177.93 179.81 1qlk h GLN 16 N 0.84 -0.73 -0.25 2.45 4.15 -0.86 0.61 115.11 121.32 1qlk h GLN 16 Ca 0.15 0.05 -0.18 0.00 0.77 0.00 0.00 58.65 59.43 1qlk h GLN 16 Cb 0.56 0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 1qlk h GLN 16 CO 0.03 -0.48 -0.57 1.88 -1.93 0.00 0.00 178.83 177.75 1qlk h TYR 17 N -0.76 1.01 -0.23 3.99 0.05 -1.50 -3.15 116.97 116.38 1qlk h TYR 17 Ca -0.08 -0.37 -0.15 0.00 0.05 0.00 0.00 58.73 58.19 1qlk h TYR 17 Cb 0.58 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1qlk h TYR 17 CO -0.03 1.18 -0.43 0.66 -1.05 0.00 0.00 178.16 178.48 1qlk h SER 18 N 0.60 0.77 0.00 3.88 4.64 -1.01 -2.78 113.55 119.65 1qlk h SER 18 Ca 0.01 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1qlk h SER 18 Cb 1.17 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1qlk h SER 18 CO 0.12 1.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.86 1qlk n GLY 19 N 0.39 -0.39 0.36 -0.77 0.00 0.21 -2.93 105.19 102.07 1qlk n GLY 19 Ca -0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 1.23 -1.51 1.61 2.43 -1.45 -3.15 114.38 113.54 1qlk h ARG 20 Ca 0.00 -0.12 -0.61 0.00 -0.81 0.00 0.00 59.98 58.44 1qlk h ARG 20 Cb 0.00 -0.25 -0.41 0.00 -0.42 0.00 0.00 29.97 28.89 1qlk h ARG 20 CO 0.00 0.88 -0.55 0.39 -1.51 0.00 0.00 179.97 179.18 1qlk n GLU 21 N -4.35 3.37 -0.39 0.20 1.02 -1.15 -4.89 120.64 114.45 1qlk n GLU 21 Ca 0.10 -4.38 0.00 0.00 -0.02 0.00 0.00 57.16 52.86 1qlk n GLU 21 Cb 0.07 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 1qlk n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qlk n GLY 22 N -0.50 0.00 3.39 0.62 0.00 -1.19 -4.86 105.19 102.65 1qlk n GLY 22 Ca 0.41 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.97 6.36 -0.18 1.61 1.01 -1.18 -4.82 116.67 117.50 1qlk s ASP 23 Ca 0.00 -1.69 0.05 0.00 0.71 0.00 0.00 52.55 51.62 1qlk s ASP 23 Cb 0.00 -2.32 -0.22 0.00 1.01 0.00 0.00 42.92 41.39 1qlk s ASP 23 CO 0.00 -1.07 0.12 0.29 0.21 0.00 0.00 175.17 174.72 1qlk n LYS 24 N 6.20 0.68 -0.04 8.23 5.02 -1.26 -2.77 118.16 134.22 1qlk n LYS 24 Ca 0.01 0.16 0.12 0.00 -2.02 0.00 0.00 58.31 56.59 1qlk n LYS 24 Cb 0.45 -1.61 0.14 0.00 -0.02 0.00 0.00 35.03 33.99 1qlk n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1qlk n HIS 25 N -3.17 0.12 -4.48 2.13 8.25 -1.26 -4.83 115.22 111.98 1qlk n HIS 25 Ca -0.35 -0.06 -0.22 0.00 -0.26 0.00 0.00 57.72 56.83 1qlk n HIS 25 Cb 1.05 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 32.03 1qlk n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1qlk s LYS 26 N -1.88 1.10 -0.11 -0.41 3.01 -1.26 -3.93 119.74 116.26 1qlk s LYS 26 Ca 0.31 -0.78 0.00 0.00 -1.01 0.00 0.00 55.97 54.49 1qlk s LYS 26 Cb 0.21 -1.14 -0.02 0.00 -1.01 0.00 0.00 37.83 35.87 1qlk s LYS 26 CO 0.31 0.29 -0.12 -1.17 0.51 0.00 0.00 175.35 175.17 1qlk s LEU 27 N -1.05 2.82 0.17 3.17 2.96 -0.58 -4.79 118.68 121.39 1qlk s LEU 27 Ca 0.04 -0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1qlk s LEU 27 Cb -0.08 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 1qlk s LEU 27 CO 0.01 0.23 0.38 -0.75 -1.32 0.00 0.00 176.35 174.90 1qlk s LYS 28 N -0.02 3.56 0.25 1.98 2.20 -1.26 -3.10 119.74 123.35 1qlk s LYS 28 Ca -0.03 -0.22 -0.06 0.00 -0.36 0.00 0.00 55.97 55.30 1qlk s LYS 28 Cb -0.14 -2.84 0.25 0.00 -1.51 0.00 0.00 37.83 33.59 1qlk s LYS 28 CO 0.04 0.43 1.91 -0.22 -0.36 0.00 0.00 175.35 177.15 1qlk h LYS 29 N 2.40 1.32 -1.00 4.03 3.11 -1.94 -2.34 116.57 122.14 1qlk h LYS 29 Ca -0.47 -0.10 0.01 0.00 -2.81 0.00 0.00 60.65 57.29 1qlk h LYS 29 Cb 1.18 -0.29 -0.05 0.00 -1.00 0.00 0.00 32.23 32.07 1qlk h LYS 29 CO 0.70 0.89 0.67 0.66 -2.81 0.00 0.00 179.45 179.56 1qlk h SER 30 N 1.35 1.15 0.35 4.20 4.64 -1.99 -1.41 113.55 121.83 1qlk h SER 30 Ca 0.36 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.57 1qlk h SER 30 Cb -0.12 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.67 1qlk h SER 30 CO -0.07 0.83 -0.37 -0.33 -0.87 0.00 0.00 176.83 176.01 1qlk h GLU 31 N 1.36 0.04 0.01 4.77 5.08 -1.84 -3.09 114.58 120.91 1qlk h GLU 31 Ca 0.37 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1qlk h GLU 31 Cb -0.15 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1qlk h GLU 31 CO -0.08 0.41 -0.01 1.25 -1.00 0.00 0.00 179.01 179.58 1qlk h LEU 32 N 0.03 -0.02 -0.87 1.33 6.46 -0.92 -0.39 115.31 120.94 1qlk h LEU 32 Ca 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1qlk h LEU 32 Cb 0.68 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 1qlk h LEU 32 CO 0.05 -0.01 0.56 0.50 -0.62 0.00 0.00 178.44 178.92 1qlk h LYS 33 N -0.02 1.15 -0.80 1.25 3.64 -1.46 -2.05 116.57 118.29 1qlk h LYS 33 Ca 0.00 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1qlk h LYS 33 Cb 0.02 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 31.55 1qlk h LYS 33 CO -0.00 0.77 0.33 0.93 -2.27 0.00 0.00 179.45 179.21 1qlk h GLU 34 N 1.18 1.19 -0.42 1.90 4.39 -1.41 -2.23 114.58 119.18 1qlk h GLU 34 Ca 0.32 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1qlk h GLU 34 Cb -0.12 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.31 1qlk h GLU 34 CO -0.07 0.95 0.28 1.25 -1.16 0.00 0.00 179.01 180.26 1qlk h LEU 35 N 1.16 0.48 -0.76 1.33 6.46 -0.39 -1.44 115.31 122.16 1qlk h LEU 35 Ca 0.27 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1qlk h LEU 35 Cb 0.20 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.97 1qlk h LEU 35 CO -0.02 0.35 0.48 0.40 -0.62 0.00 0.00 178.44 179.03 1qlk h ILE 36 N 0.56 1.20 -0.86 4.05 2.04 -1.14 -2.21 117.51 121.16 1qlk h ILE 36 Ca 0.15 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1qlk h ILE 36 Cb -0.06 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 1qlk h ILE 36 CO -0.03 0.20 0.51 -1.13 0.00 0.00 0.00 178.15 177.70 1qlk h ASN 37 N 1.03 1.04 0.00 1.72 -1.24 -0.91 -2.82 115.58 114.40 1qlk h ASN 37 Ca 0.27 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.22 1qlk h ASN 37 Cb -0.09 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.70 1qlk h ASN 37 CO -0.06 0.81 0.00 -3.20 -1.29 0.00 0.00 177.43 173.69 1qlk n ASN 38 N -4.36 0.00 -2.75 1.15 5.15 -0.59 -4.60 115.26 109.26 1qlk n ASN 38 Ca 0.09 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 54.04 1qlk n ASN 38 Cb 0.07 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.38 1qlk n ASN 38 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1qlk n GLU 39 N 0.00 1.46 -0.02 1.20 4.71 -1.25 -4.86 120.64 121.88 1qlk n GLU 39 Ca 0.00 -3.00 0.00 0.00 -0.01 0.00 0.00 57.16 54.16 1qlk n GLU 39 Cb 0.00 -1.11 0.00 0.00 -1.01 0.00 0.00 31.44 29.33 1qlk n GLU 39 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1qlk n LEU 40 N -0.56 0.94 0.20 -4.62 7.94 -1.14 -4.75 117.00 115.00 1qlk n LEU 40 Ca 0.04 -0.99 0.06 0.00 -1.11 0.00 0.00 56.01 54.00 1qlk n LEU 40 Cb 0.82 -0.01 0.39 0.00 0.53 0.00 0.00 43.42 45.15 1qlk n LEU 40 CO 0.09 0.25 0.72 0.28 -1.11 0.00 0.00 177.39 177.62 1qlk h SER 41 N 0.00 0.00 -0.90 1.96 0.02 -1.79 -2.93 113.55 109.91 1qlk h SER 41 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1qlk h SER 41 Cb 0.80 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.30 1qlk h SER 41 CO 0.00 0.35 0.51 0.45 -1.14 0.00 0.00 176.83 177.00 1qlk h HIS 42 N 0.00 1.22 -0.27 3.45 3.86 -1.90 -2.59 115.15 118.92 1qlk h HIS 42 Ca -0.00 -0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.04 1qlk h HIS 42 Cb 0.78 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1qlk h HIS 42 CO 0.00 0.83 -0.42 0.74 0.86 0.00 0.00 177.93 179.94 1qlk h PHE 43 N 1.25 0.79 -3.17 2.45 -1.00 -1.88 -3.43 116.94 111.95 1qlk h PHE 43 Ca 0.32 -0.24 -0.67 0.00 2.81 0.00 0.00 57.97 60.19 1qlk h PHE 43 Cb 0.00 -0.17 -0.14 0.00 3.61 0.00 0.00 35.95 39.26 1qlk h PHE 43 CO 0.01 0.97 -0.59 -0.51 -1.61 0.00 0.00 178.31 176.58 1qlk s LEU 44 N -8.59 3.76 -0.42 1.54 1.02 -0.98 -4.99 118.68 110.03 1qlk s LEU 44 Ca -0.08 0.20 0.06 0.00 0.02 0.00 0.00 54.13 54.32 1qlk s LEU 44 Cb 0.12 -1.88 0.21 0.00 0.02 0.00 0.00 46.19 44.65 1qlk s LEU 44 CO 0.84 0.36 0.48 1.21 0.02 0.00 0.00 176.35 179.26 1qlk n GLU 45 N 2.29 0.45 0.00 1.70 2.13 -1.26 -4.74 120.64 121.21 1qlk n GLU 45 Ca -0.19 -2.99 0.00 0.00 0.66 0.00 0.00 57.16 54.65 1qlk n GLU 45 Cb 0.54 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.78 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 2.22 0.00 -3.42 5.31 -0.58 -1.26 -5.12 120.64 117.80 1qlk n GLU 46 Ca 0.24 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.60 1qlk n GLU 46 Cb 0.52 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.30 1qlk n GLU 46 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1qlk s ILE 47 N 0.00 5.20 0.12 -3.67 1.01 -1.26 -4.92 121.20 117.68 1qlk s ILE 47 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.22 1qlk s ILE 47 Cb 0.00 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.78 1qlk s ILE 47 CO 0.00 0.21 0.00 0.29 0.00 0.00 0.00 174.94 175.44 1qlk n LYS 48 N 4.94 0.00 -3.60 2.79 5.02 -1.26 -5.09 118.16 120.96 1qlk n LYS 48 Ca -0.09 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.92 1qlk n LYS 48 Cb 0.51 -0.20 -0.03 0.00 -0.02 0.00 0.00 35.03 35.28 1qlk n LYS 48 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1qlk s GLU 49 N -1.68 3.57 0.43 1.97 2.56 -1.26 -4.98 118.70 119.30 1qlk s GLU 49 Ca 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 54.97 54.85 1qlk s GLU 49 Cb 0.00 -2.79 0.93 0.00 2.00 0.00 0.00 34.13 34.27 1qlk s GLU 49 CO 0.00 0.37 2.08 1.96 -0.56 0.00 0.00 175.26 179.10 1qlk h GLN 50 N 2.08 0.44 -0.91 4.30 7.50 -2.01 -1.89 115.11 124.63 1qlk h GLN 50 Ca -0.47 -0.03 0.02 0.00 0.50 0.00 0.00 58.65 58.67 1qlk h GLN 50 Cb 1.19 -0.10 -0.05 0.00 0.05 0.00 0.00 27.48 28.57 1qlk h GLN 50 CO 0.68 0.29 0.60 0.93 -1.50 0.00 0.00 178.83 179.84 1qlk h GLU 51 N 0.45 1.15 -0.81 1.46 4.39 -2.00 -1.53 114.58 117.69 1qlk h GLU 51 Ca 0.12 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.76 1qlk h GLU 51 Cb -0.05 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 28.30 1qlk h GLU 51 CO -0.03 0.76 0.53 0.28 -1.16 0.00 0.00 179.01 179.40 1qlk h VAL 52 N 1.19 1.21 -0.84 3.13 2.07 -1.74 -1.85 116.25 119.42 1qlk h VAL 52 Ca 0.35 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1qlk h VAL 52 Cb -0.07 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.68 1qlk h VAL 52 CO -0.09 0.21 0.51 0.58 0.02 0.00 0.00 177.57 178.80 1qlk h VAL 53 N 1.11 1.24 -0.44 2.57 2.07 -1.30 -2.32 116.25 119.17 1qlk h VAL 53 Ca 0.30 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1qlk h VAL 53 Cb -0.11 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.69 1qlk h VAL 53 CO -0.06 0.25 0.28 -0.78 0.02 0.00 0.00 177.57 177.27 1qlk h ASP 54 N 1.16 0.53 -0.43 0.57 1.82 -0.80 0.92 116.42 120.18 1qlk h ASP 54 Ca 0.30 -0.04 0.01 0.00 -0.39 0.00 0.00 57.03 56.91 1qlk h ASP 54 Cb -0.04 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 1qlk h ASP 54 CO -0.06 0.41 0.28 0.50 -1.61 0.00 0.00 179.24 178.77 1qlk h LYS 55 N 0.59 0.56 -0.89 0.28 1.63 -1.08 -1.92 116.57 115.74 1qlk h LYS 55 Ca 0.16 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 1qlk h LYS 55 Cb -0.02 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.44 1qlk h LYS 55 CO -0.03 0.37 0.48 0.28 -3.45 0.00 0.00 179.45 177.10 1qlk h VAL 56 N 0.57 1.26 -1.00 2.00 2.07 -1.04 -2.53 116.25 117.59 1qlk h VAL 56 Ca 0.16 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 67.04 1qlk h VAL 56 Cb -0.05 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 29.72 1qlk h VAL 56 CO -0.04 0.30 0.66 -0.03 0.02 0.00 0.00 177.57 178.48 1qlk h MET 57 N 1.26 1.27 -0.46 1.57 1.85 -0.07 -1.62 114.93 118.72 1qlk h MET 57 Ca 0.31 -0.08 -0.01 0.00 -0.61 0.00 0.00 59.70 59.32 1qlk h MET 57 Cb 0.04 -0.29 -0.02 0.00 0.43 0.00 0.00 31.60 31.77 1qlk h MET 57 CO -0.05 0.84 0.25 1.49 -0.40 0.00 0.00 176.91 179.04 1qlk h GLU 58 N 1.31 0.64 -0.75 0.39 4.57 -0.97 -1.89 114.58 117.88 1qlk h GLU 58 Ca 0.38 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.43 1qlk h GLU 58 Cb -0.07 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 1qlk h GLU 58 CO -0.10 0.51 0.26 1.15 -1.18 0.00 0.00 179.01 179.65 1qlk h THR 59 N 0.60 1.26 -0.53 0.32 2.02 -1.26 -3.03 112.91 112.30 1qlk h THR 59 Ca 0.16 -0.86 -0.12 0.00 0.77 0.00 0.00 66.41 66.36 1qlk h THR 59 Cb 0.06 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1qlk h THR 59 CO -0.03 0.34 -0.13 -0.07 0.37 0.00 0.00 175.52 176.01 1qlk h LEU 60 N 1.09 1.02 -9.03 2.58 -0.00 -1.07 -3.41 115.31 106.50 1qlk h LEU 60 Ca 0.24 -0.36 -0.57 0.00 -0.00 0.00 0.00 57.88 57.19 1qlk h LEU 60 Cb 0.27 -0.28 -0.05 0.00 -0.00 0.00 0.00 40.66 40.60 1qlk h LEU 60 CO -0.01 1.15 0.91 -1.81 -0.00 0.00 0.00 178.44 178.68 1qlk s ASP 61 N -6.64 6.84 0.17 -0.43 1.11 -0.73 -4.90 116.67 112.08 1qlk s ASP 61 Ca -0.12 1.36 -0.10 0.00 0.18 0.00 0.00 52.55 53.87 1qlk s ASP 61 Cb 0.13 -2.54 0.04 0.00 1.07 0.00 0.00 42.92 41.62 1qlk s ASP 61 CO 0.86 -0.91 1.60 -0.33 1.18 0.00 0.00 175.17 177.58 1qlk h GLU 62 N 8.57 1.03 -0.08 8.23 4.39 -1.82 -3.09 114.58 131.80 1qlk h GLU 62 Ca -0.25 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.09 1qlk h GLU 62 Cb 1.09 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1qlk h GLU 62 CO 1.01 1.05 0.00 -0.40 -1.16 0.00 0.00 179.01 179.51 1qlk n ASP 63 N -4.18 3.00 -3.53 1.42 5.75 -1.26 -4.98 116.55 112.77 1qlk n ASP 63 Ca 0.02 -1.96 -0.19 0.00 -0.01 0.00 0.00 54.79 52.65 1qlk n ASP 63 Cb 0.38 -0.04 0.06 0.00 -1.03 0.00 0.00 41.12 40.50 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 -0.45 0.26 6.12 0.00 -1.17 -4.86 105.19 106.41 1qlk n GLY 64 Ca 0.14 0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.49 1qlk n GLY 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qlk h ASP 65 N -1.80 0.00 0.00 1.61 3.32 -1.94 -3.46 116.42 114.16 1qlk h ASP 65 Ca -0.60 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.45 1qlk h ASP 65 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1qlk h ASP 65 CO 0.52 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.68 1qlk n GLY 66 N 0.22 1.39 2.98 2.75 0.00 -1.26 -5.01 105.19 106.27 1qlk n GLY 66 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1qlk n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qlk s GLU 67 N -0.48 0.43 -0.30 1.61 2.12 -1.26 -4.82 118.70 116.00 1qlk s GLU 67 Ca 0.00 -0.35 -0.13 0.00 0.36 0.00 0.00 54.97 54.85 1qlk s GLU 67 Cb 0.00 -0.34 -0.04 0.00 0.26 0.00 0.00 34.13 34.01 1qlk s GLU 67 CO 0.00 0.08 0.27 0.00 -0.54 0.00 0.00 175.26 175.07 1qlk s ASP 69 N 1.72 4.52 0.23 0.00 -4.77 -1.26 -1.52 116.67 115.59 1qlk s ASP 69 Ca 0.10 -0.44 -0.08 0.00 -3.30 0.00 0.00 52.55 48.82 1qlk s ASP 69 Cb -0.16 0.00 0.21 0.00 -1.09 0.00 0.00 42.92 41.88 1qlk s ASP 69 CO 0.11 -1.74 1.90 0.15 0.70 0.00 0.00 175.17 176.29 1qlk h PHE 70 N -0.37 1.08 -0.55 2.11 3.57 -1.95 -0.19 116.94 120.64 1qlk h PHE 70 Ca -0.35 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1qlk h PHE 70 Cb 1.27 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 1qlk h PHE 70 CO -0.06 0.68 0.36 0.37 -2.23 0.00 0.00 178.31 177.43 1qlk h GLN 71 N 1.16 0.73 0.00 1.11 4.15 -1.94 -1.96 115.11 118.37 1qlk h GLN 71 Ca 0.32 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.59 1qlk h GLN 71 Cb -0.12 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.39 1qlk h GLN 71 CO -0.07 0.49 -0.51 0.93 -1.93 0.00 0.00 178.83 177.74 1qlk h GLU 72 N 0.75 0.00 -0.51 1.69 5.08 -1.82 -3.01 114.58 116.76 1qlk h GLU 72 Ca 0.20 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1qlk h GLU 72 Cb -0.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1qlk h GLU 72 CO -0.04 0.51 0.33 0.35 -1.00 0.00 0.00 179.01 179.16 1qlk h PHE 73 N 0.00 0.63 -0.95 4.33 3.57 -0.27 -1.24 116.94 123.00 1qlk h PHE 73 Ca -0.01 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1qlk h PHE 73 Cb 0.90 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 1qlk h PHE 73 CO 0.00 0.39 0.63 0.52 -2.23 0.00 0.00 178.31 177.61 1qlk h MET 74 N 0.68 1.26 -0.92 1.11 2.86 -1.34 -1.83 114.93 116.74 1qlk h MET 74 Ca 0.19 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1qlk h MET 74 Cb -0.06 -0.28 -0.04 0.00 0.06 0.00 0.00 31.60 31.27 1qlk h MET 74 CO -0.05 0.84 0.57 0.00 1.06 0.00 0.00 176.91 179.33 1qlk h ALA 75 N 1.34 1.17 -0.76 6.32 0.00 -1.22 -2.42 119.26 123.70 1qlk h ALA 75 Ca 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1qlk h ALA 75 Cb -0.14 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.24 1qlk h ALA 75 CO -0.07 0.62 0.49 0.35 0.00 0.00 0.00 179.25 180.64 1qlk h PHE 76 N 1.27 0.97 -0.31 0.00 3.57 -0.42 -0.31 116.94 121.70 1qlk h PHE 76 Ca 0.33 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.83 1qlk h PHE 76 Cb -0.08 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.32 1qlk h PHE 76 CO 0.00 0.62 0.09 0.28 -2.23 0.00 0.00 178.31 177.07 1qlk h VAL 77 N 1.03 1.20 -0.73 1.41 2.07 -1.11 -2.06 116.25 118.06 1qlk h VAL 77 Ca 0.28 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1qlk h VAL 77 Cb -0.10 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1qlk h VAL 77 CO -0.06 0.22 0.30 0.28 0.02 0.00 0.00 177.57 178.33 1qlk h SER 78 N 0.34 1.00 -0.80 0.57 0.02 -1.10 -2.03 113.55 111.54 1qlk h SER 78 Ca 0.10 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1qlk h SER 78 Cb 0.25 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 1qlk h SER 78 CO -0.00 0.89 0.35 0.24 -1.14 0.00 0.00 176.83 177.17 1qlk h MET 79 N 1.04 1.18 -0.40 3.45 2.07 -0.86 -1.57 114.93 119.85 1qlk h MET 79 Ca 0.24 -0.20 -0.09 0.00 -2.07 0.00 0.00 59.70 57.59 1qlk h MET 79 Cb 0.20 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 1qlk h MET 79 CO -0.02 0.94 -0.10 0.28 1.07 0.00 0.00 176.91 179.08 1qlk h VAL 80 N 1.16 1.27 -0.65 -2.22 2.07 -1.08 -0.96 116.25 115.84 1qlk h VAL 80 Ca 0.27 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 1qlk h VAL 80 Cb 0.17 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1qlk h VAL 80 CO -0.03 0.40 0.14 0.71 0.02 0.00 0.00 177.57 178.81 1qlk h THR 81 N 0.59 1.26 -0.45 2.57 1.35 -1.14 0.21 112.91 117.30 1qlk h THR 81 Ca 0.10 -0.97 -0.14 0.00 -0.55 0.00 0.00 66.41 64.85 1qlk h THR 81 Cb 0.62 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 1qlk h THR 81 CO 0.04 0.36 -0.27 0.71 -0.25 0.00 0.00 175.52 176.12 1qlk h THR 82 N 0.97 1.27 -0.47 6.82 1.35 -1.21 -3.08 112.91 118.56 1qlk h THR 82 Ca 0.20 -1.43 -0.14 0.00 -0.55 0.00 0.00 66.41 64.49 1qlk h THR 82 Cb 0.39 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 1qlk h THR 82 CO 0.01 0.49 -0.25 0.00 -0.25 0.00 0.00 175.52 175.52 1qlk h ALA 83 N 0.86 0.66 -2.72 6.62 0.00 -0.97 -3.43 119.26 120.28 1qlk h ALA 83 Ca 0.10 -0.40 -0.50 0.00 0.00 0.00 0.00 54.91 54.10 1qlk h ALA 83 Cb 0.85 -0.16 0.03 0.00 0.00 0.00 0.00 17.79 18.51 1qlk h ALA 83 CO 0.08 0.67 0.47 0.00 0.00 0.00 0.00 179.25 180.47 1qlk s HIS 85 N -1.33 3.67 0.00 0.00 3.76 -1.26 -4.87 115.29 115.25 1qlk s HIS 85 Ca 0.50 1.76 0.00 0.00 -0.15 0.00 0.00 55.06 57.18 1qlk s HIS 85 Cb -0.30 -3.15 0.00 0.00 1.11 0.00 0.00 32.58 30.24 1qlk s HIS 85 CO 0.38 -0.21 0.00 0.39 -0.85 0.00 0.00 174.74 174.45 1qlk n GLU 86 N 1.07 1.80 -2.82 1.40 1.02 -1.26 -4.81 120.64 117.04 1qlk n GLU 86 Ca -0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1qlk n GLU 86 Cb 0.46 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.88 1qlk n GLU 86 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1qlk n PHE 87 N -0.23 -3.15 -3.06 -0.32 7.35 -1.26 -5.05 117.46 111.74 1qlk n PHE 87 Ca 0.00 1.44 0.00 0.00 -0.76 0.00 0.00 57.45 58.13 1qlk n PHE 87 Cb 0.00 -3.34 0.00 0.00 0.35 0.00 0.00 39.48 36.49 1qlk n PHE 87 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1qlk n PHE 88 N 0.93 -0.45 -2.01 -5.13 7.35 -1.26 -5.10 117.46 111.79 1qlk n PHE 88 Ca -0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 1qlk n PHE 88 Cb 0.15 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.98 1qlk n PHE 88 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1qlk n GLU 89 N 0.00 0.00 -2.13 -4.13 4.71 -1.26 -4.44 120.64 113.39 1qlk n GLU 89 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.81 1qlk n GLU 89 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.44 1qlk n GLU 89 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1qlk s HIS 90 N 0.00 2.67 -1.61 -0.32 3.76 -1.26 -5.32 115.29 113.22 1qlk s HIS 90 Ca 0.00 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.46 1qlk s HIS 90 Cb 0.00 -3.24 0.00 0.00 1.11 0.00 0.00 32.58 30.45 1qlk s HIS 90 CO 0.00 -1.57 0.40 -0.85 -0.85 0.00 0.00 174.74 171.87