#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qr5 s GLU 2 N 0.00 3.10 -0.02 2.12 2.56 -0.70 -4.95 118.70 120.81 1qr5 s GLU 2 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 54.97 54.14 1qr5 s GLU 2 Cb 0.00 -2.59 0.08 0.00 2.00 0.00 0.00 34.13 33.61 1qr5 s GLU 2 CO 0.00 -0.20 0.70 1.14 -0.56 0.00 0.00 175.26 176.33 1qr5 s GLN 3 N -4.50 1.06 -0.28 4.30 -2.07 -1.26 -1.91 119.66 115.01 1qr5 s GLN 3 Ca 0.47 0.09 -0.19 0.00 -1.82 0.00 0.00 55.36 53.92 1qr5 s GLN 3 Cb -0.10 0.50 0.08 0.00 -1.09 0.00 0.00 33.01 32.40 1qr5 s GLN 3 CO 0.37 -0.36 0.74 -1.14 -1.32 0.00 0.00 175.29 173.57 1qr5 s GLN 4 N -1.74 0.71 0.39 9.60 2.00 -0.15 -4.94 119.66 125.52 1qr5 s GLN 4 Ca -0.07 1.09 -0.05 0.00 -2.00 0.00 0.00 55.36 54.33 1qr5 s GLN 4 Cb -0.00 0.21 -0.04 0.00 0.80 0.00 0.00 33.01 33.98 1qr5 s GLN 4 CO 0.04 -0.13 0.67 0.45 -0.50 0.00 0.00 175.29 175.82 1qr5 s SER 5 N 1.21 6.36 0.31 6.67 0.15 -1.26 -0.06 113.70 127.09 1qr5 s SER 5 Ca -0.07 0.80 0.05 0.00 0.70 0.00 0.00 55.95 57.43 1qr5 s SER 5 Cb -0.05 -2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1qr5 s SER 5 CO -0.13 -0.38 0.21 -0.31 1.20 0.00 0.00 173.24 173.83 1qr5 s TYR 6 N -2.41 1.62 -0.43 3.44 1.51 -0.85 -4.93 117.35 115.29 1qr5 s TYR 6 Ca 0.45 -1.51 0.06 0.00 -1.01 0.00 0.00 57.07 55.06 1qr5 s TYR 6 Cb -0.10 -0.76 0.21 0.00 -0.11 0.00 0.00 41.96 41.20 1qr5 s TYR 6 CO 0.37 -0.70 0.53 2.41 -1.11 0.00 0.00 175.55 177.05 1qr5 n THR 7 N -0.58 -0.70 -0.94 -0.71 -1.04 -1.23 -2.53 114.28 106.56 1qr5 n THR 7 Ca 0.04 -2.97 -0.30 0.00 -2.04 0.00 0.00 64.05 58.78 1qr5 n THR 7 Cb 0.64 -0.91 0.16 0.00 -1.82 0.00 0.00 70.33 68.39 1qr5 n THR 7 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1qr5 s ILE 8 N -0.12 2.48 0.00 12.58 1.01 -0.83 -4.60 121.20 131.72 1qr5 s ILE 8 Ca 0.33 0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.14 1qr5 s ILE 8 Cb 0.10 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 40.15 1qr5 s ILE 8 CO -0.15 -0.20 0.00 2.30 0.00 0.00 0.00 174.94 176.88 1qr5 n ILE 9 N -4.12 0.00 -1.97 2.92 -6.64 -1.25 0.11 119.36 108.41 1qr5 n ILE 9 Ca 0.08 0.00 -0.25 0.00 -1.77 0.00 0.00 62.75 60.81 1qr5 n ILE 9 Cb 0.54 -0.09 -0.06 0.00 -1.44 0.00 0.00 39.64 38.59 1qr5 n ILE 9 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1qr5 s ASP 10 N -1.03 4.87 0.57 7.28 -1.08 -1.26 -3.99 116.67 122.03 1qr5 s ASP 10 Ca 0.00 -0.80 0.32 0.00 -0.52 0.00 0.00 52.55 51.56 1qr5 s ASP 10 Cb 0.00 -2.57 1.41 0.00 -1.46 0.00 0.00 42.92 40.31 1qr5 s ASP 10 CO 0.00 -3.06 1.73 1.05 0.52 0.00 0.00 175.17 175.42 1qr5 h GLU 11 N 11.17 0.00 0.19 4.34 -0.00 -1.81 1.15 114.58 129.61 1qr5 h GLU 11 Ca 0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 59.36 59.15 1qr5 h GLU 11 Cb 0.99 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 29.76 1qr5 h GLU 11 CO 1.18 0.00 -1.46 1.15 -0.00 0.00 0.00 179.01 179.87 1qr5 h THR 12 N 0.00 1.28 0.00 -1.06 2.02 -1.85 -3.41 112.91 109.89 1qr5 h THR 12 Ca 0.44 -2.79 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1qr5 h THR 12 Cb 2.05 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 71.40 1qr5 h THR 12 CO -0.00 0.84 0.00 0.61 0.37 0.00 0.00 175.52 177.34 1qr5 n GLY 13 N 1.68 1.48 3.81 2.16 0.00 0.39 -4.84 105.19 109.87 1qr5 n GLY 13 Ca -0.16 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1qr5 n GLY 13 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qr5 s ILE 14 N 0.00 3.96 0.00 -0.61 2.07 -1.26 -4.85 121.20 120.51 1qr5 s ILE 14 Ca 0.00 1.06 0.00 0.00 -1.41 0.00 0.00 60.65 60.30 1qr5 s ILE 14 Cb 0.00 -3.48 0.00 0.00 0.13 0.00 0.00 42.46 39.11 1qr5 s ILE 14 CO 0.00 -0.42 0.00 0.00 -1.91 0.00 0.00 174.94 172.61 1qr5 n HIS 15 N -1.46 0.00 -0.34 3.50 1.44 -1.26 -4.93 115.22 112.16 1qr5 n HIS 15 Ca 0.08 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.81 1qr5 n HIS 15 Cb 0.53 0.00 0.15 0.00 0.12 0.00 0.00 29.99 30.79 1qr5 n HIS 15 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qr5 h ALA 16 N 2.00 1.28 0.03 1.59 0.00 -1.99 -0.55 119.26 121.61 1qr5 h ALA 16 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qr5 h ALA 16 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1qr5 h ALA 16 CO 0.00 0.38 -0.01 -0.09 0.00 0.00 0.00 179.25 179.53 1qr5 h ARG 17 N 1.09 -0.04 -0.69 0.00 9.65 -1.97 -3.28 114.38 119.14 1qr5 h ARG 17 Ca 0.40 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.25 1qr5 h ARG 17 Cb 0.14 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.70 1qr5 h ARG 17 CO -0.16 0.43 0.31 -1.35 2.80 0.00 0.00 179.97 182.00 1qr5 h PRO 18 N -0.98 1.01 0.46 0.20 0.11 -1.85 -2.38 132.00 128.57 1qr5 h PRO 18 Ca -0.00 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 1qr5 h PRO 18 Cb 0.49 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 1qr5 h PRO 18 CO 0.01 0.82 -0.28 0.00 -0.21 0.00 0.00 178.00 178.33 1qr5 h ALA 19 N 1.15 -1.12 -0.74 -0.75 0.00 -1.27 0.11 119.26 116.64 1qr5 h ALA 19 Ca 0.24 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.16 1qr5 h ALA 19 Cb 0.15 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1qr5 h ALA 19 CO -0.03 -1.09 0.50 1.15 0.00 0.00 0.00 179.25 179.78 1qr5 h THR 20 N -0.69 0.75 0.53 0.00 2.02 -1.63 -0.10 112.91 113.79 1qr5 h THR 20 Ca -0.06 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 1qr5 h THR 20 Cb 0.55 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1qr5 h THR 20 CO 0.07 0.06 -0.25 0.24 0.37 0.00 0.00 175.52 176.00 1qr5 h MET 21 N 0.31 -0.68 -0.75 6.66 2.86 -1.10 -2.87 114.93 119.36 1qr5 h MET 21 Ca 0.36 0.05 0.04 0.00 -2.06 0.00 0.00 59.70 58.09 1qr5 h MET 21 Cb 0.97 0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.74 1qr5 h MET 21 CO -0.10 -0.45 0.49 -0.07 1.06 0.00 0.00 176.91 177.84 1qr5 h LEU 22 N -0.94 0.78 0.36 1.22 3.38 -0.51 0.17 115.31 119.77 1qr5 h LEU 22 Ca -0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1qr5 h LEU 22 Cb 0.54 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1qr5 h LEU 22 CO 0.12 0.53 -0.52 0.58 0.09 0.00 0.00 178.44 179.24 1qr5 h VAL 23 N 0.90 0.00 0.20 1.22 2.07 -1.06 0.37 116.25 119.94 1qr5 h VAL 23 Ca 0.30 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.81 1qr5 h VAL 23 Cb 0.08 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1qr5 h VAL 23 CO -0.09 0.00 -0.10 -0.61 0.02 0.00 0.00 177.57 176.79 1qr5 h GLN 24 N -0.92 -0.26 0.19 1.57 4.15 -1.27 -0.05 115.11 118.52 1qr5 h GLN 24 Ca -0.04 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.41 1qr5 h GLN 24 Cb 0.84 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.55 1qr5 h GLN 24 CO -0.15 0.06 -0.48 1.15 -1.93 0.00 0.00 178.83 177.48 1qr5 h THR 25 N -0.59 0.07 -0.15 2.39 2.02 -0.63 0.50 112.91 116.52 1qr5 h THR 25 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1qr5 h THR 25 Cb 0.44 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1qr5 h THR 25 CO 0.05 0.00 0.07 0.00 0.37 0.00 0.00 175.52 176.00 1qr5 h ALA 26 N -0.45 0.19 -0.02 6.16 0.00 -0.36 -2.56 119.26 122.22 1qr5 h ALA 26 Ca -0.00 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1qr5 h ALA 26 Cb 0.75 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1qr5 h ALA 26 CO -0.23 -0.25 0.02 1.03 0.00 0.00 0.00 179.25 179.82 1qr5 h SER 27 N 0.11 0.00 0.21 0.00 0.87 -0.79 0.21 113.55 114.15 1qr5 h SER 27 Ca 0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1qr5 h SER 27 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1qr5 h SER 27 CO -0.01 0.00 -0.10 0.11 -0.53 0.00 0.00 176.83 176.31 1qr5 h LYS 28 N 0.00 -0.27 -0.48 2.24 1.57 0.41 -3.20 116.57 116.84 1qr5 h LYS 28 Ca 0.01 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1qr5 h LYS 28 Cb 0.05 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1qr5 h LYS 28 CO -0.00 0.04 -0.04 0.74 -0.57 0.00 0.00 179.45 179.62 1qr5 h PHE 29 N -0.58 0.97 0.00 -1.35 0.04 -1.17 -3.47 116.94 111.38 1qr5 h PHE 29 Ca -0.03 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1qr5 h PHE 29 Cb 0.43 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1qr5 h PHE 29 CO 0.02 0.93 0.00 -3.47 -0.60 0.00 0.00 178.31 175.19 1qr5 n ASP 30 N -4.30 0.00 -4.75 2.17 -0.08 0.69 -4.36 116.55 105.92 1qr5 n ASP 30 Ca 0.00 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.94 1qr5 n ASP 30 Cb 0.34 -0.46 0.05 0.00 2.34 0.00 0.00 41.12 43.39 1qr5 n ASP 30 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1qr5 s SER 31 N -3.28 4.96 0.29 1.67 1.04 -1.26 -4.98 113.70 112.14 1qr5 s SER 31 Ca 0.00 2.26 -0.29 0.00 0.48 0.00 0.00 55.95 58.40 1qr5 s SER 31 Cb 0.00 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.44 1qr5 s SER 31 CO 0.00 -1.74 1.11 -0.62 0.98 0.00 0.00 173.24 172.97 1qr5 s ASP 32 N -1.98 7.22 -0.07 7.02 -1.08 -0.55 -4.83 116.67 122.42 1qr5 s ASP 32 Ca 0.73 2.28 -0.03 0.00 -0.52 0.00 0.00 52.55 55.02 1qr5 s ASP 32 Cb -0.27 -2.63 0.04 0.00 -1.46 0.00 0.00 42.92 38.61 1qr5 s ASP 32 CO 0.38 -0.18 0.13 -0.51 0.52 0.00 0.00 175.17 175.51 1qr5 s ILE 33 N -1.18 -0.15 -0.19 4.11 2.07 -1.25 0.65 121.20 125.26 1qr5 s ILE 33 Ca 0.45 0.30 -0.03 0.00 -1.41 0.00 0.00 60.65 59.96 1qr5 s ILE 33 Cb -0.32 -0.23 -0.01 0.00 0.13 0.00 0.00 42.46 42.02 1qr5 s ILE 33 CO 0.41 0.12 -0.06 0.00 -1.91 0.00 0.00 174.94 173.51 1qr5 s GLN 34 N 1.79 3.42 -0.21 3.50 -2.07 0.11 -2.48 119.66 123.72 1qr5 s GLN 34 Ca -0.02 -0.62 -0.05 0.00 -1.82 0.00 0.00 55.36 52.85 1qr5 s GLN 34 Cb -0.12 -2.92 -0.02 0.00 -1.09 0.00 0.00 33.01 28.86 1qr5 s GLN 34 CO -0.05 -0.06 -0.02 -1.17 -1.32 0.00 0.00 175.29 172.68 1qr5 s LEU 35 N 1.10 3.12 0.53 2.60 0.20 -0.29 0.11 118.68 126.06 1qr5 s LEU 35 Ca 0.01 -0.27 0.08 0.00 0.69 0.00 0.00 54.13 54.64 1qr5 s LEU 35 Cb -0.15 -1.79 0.05 0.00 -0.43 0.00 0.00 46.19 43.88 1qr5 s LEU 35 CO -0.01 0.04 0.62 -1.61 -0.29 0.00 0.00 176.35 175.10 1qr5 s GLU 36 N 1.16 2.39 0.23 1.98 8.01 0.60 -2.41 118.70 130.67 1qr5 s GLU 36 Ca 0.03 -1.67 0.06 0.00 0.01 0.00 0.00 54.97 53.40 1qr5 s GLU 36 Cb -0.14 -2.50 -0.05 0.00 -4.31 0.00 0.00 34.13 27.12 1qr5 s GLU 36 CO 0.01 -0.65 -0.09 -0.47 0.01 0.00 0.00 175.26 174.07 1qr5 s TYR 37 N -2.63 1.76 -0.70 1.61 5.04 -0.88 -2.57 117.35 118.97 1qr5 s TYR 37 Ca 0.53 -0.68 0.03 0.00 -2.44 0.00 0.00 57.07 54.50 1qr5 s TYR 37 Cb -0.05 -0.93 0.16 0.00 0.35 0.00 0.00 41.96 41.49 1qr5 s TYR 37 CO 0.33 0.26 1.01 0.27 -1.34 0.00 0.00 175.55 176.07 1qr5 n ASN 38 N -0.45 0.08 -2.70 4.32 6.94 0.26 -2.40 115.26 121.30 1qr5 n ASN 38 Ca -0.07 0.45 -0.05 0.00 -0.02 0.00 0.00 54.58 54.90 1qr5 n ASN 38 Cb 0.62 -0.46 0.10 0.00 -2.36 0.00 0.00 39.78 37.68 1qr5 n ASN 38 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qr5 n GLY 39 N -1.39 1.65 3.10 4.83 0.00 -1.26 -5.09 105.19 107.03 1qr5 n GLY 39 Ca -0.00 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.58 1qr5 n GLY 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qr5 n LYS 40 N -0.80 0.10 -3.65 1.61 4.81 -1.01 -5.17 118.16 114.04 1qr5 n LYS 40 Ca -0.04 -0.53 -0.05 0.00 -0.87 0.00 0.00 58.31 56.82 1qr5 n LYS 40 Cb 0.85 0.92 -0.06 0.00 0.02 0.00 0.00 35.03 36.76 1qr5 n LYS 40 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1qr5 s LYS 41 N -2.01 0.60 0.14 1.64 2.36 -1.26 -2.08 119.74 119.14 1qr5 s LYS 41 Ca 0.24 1.29 -0.03 0.00 -2.55 0.00 0.00 55.97 54.92 1qr5 s LYS 41 Cb -0.00 0.47 0.01 0.00 -1.05 0.00 0.00 37.83 37.26 1qr5 s LYS 41 CO -0.01 -0.18 0.24 1.33 1.55 0.00 0.00 175.35 178.28 1qr5 n VAL 42 N 4.90 0.00 -3.10 4.02 0.24 -1.01 -5.00 118.33 118.38 1qr5 n VAL 42 Ca -0.16 -0.56 -0.37 0.00 -2.04 0.00 0.00 64.34 61.22 1qr5 n VAL 42 Cb 0.54 0.40 -0.06 0.00 -1.47 0.00 0.00 33.84 33.25 1qr5 n VAL 42 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1qr5 s ASN 43 N -1.82 7.09 -0.57 -1.34 2.47 -1.26 -1.13 114.94 118.39 1qr5 s ASN 43 Ca 0.09 1.43 -0.04 0.00 0.42 0.00 0.00 52.86 54.76 1qr5 s ASN 43 Cb -0.01 -2.42 -0.06 0.00 -1.45 0.00 0.00 41.25 37.30 1qr5 s ASN 43 CO 0.07 0.07 1.92 -0.11 -3.72 0.00 0.00 177.10 175.32 1qr5 n LEU 44 N 0.88 3.66 -0.09 3.21 0.00 -1.04 -4.46 117.00 119.16 1qr5 n LEU 44 Ca -0.03 -2.36 -0.12 0.00 0.00 0.00 0.00 56.01 53.51 1qr5 n LEU 44 Cb 0.51 -0.91 0.01 0.00 0.00 0.00 0.00 43.42 43.03 1qr5 n LEU 44 CO 0.43 0.35 0.56 0.50 0.00 0.00 0.00 177.39 179.23 1qr5 h LYS 45 N 6.12 0.84 0.00 1.96 3.64 -1.91 -3.47 116.57 123.75 1qr5 h LYS 45 Ca 0.33 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1qr5 h LYS 45 Cb 0.27 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1qr5 h LYS 45 CO 1.12 1.08 0.00 -1.13 -2.27 0.00 0.00 179.45 178.25 1qr5 n SER 46 N -4.05 0.00 0.10 4.20 3.41 -1.26 -4.50 113.62 111.52 1qr5 n SER 46 Ca -0.02 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.79 1qr5 n SER 46 Cb 0.54 0.00 0.75 0.00 -0.26 0.00 0.00 64.21 65.24 1qr5 n SER 46 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1qr5 h ILE 47 N 0.00 0.40 0.00 -1.33 1.08 -1.97 -3.36 117.51 112.33 1qr5 h ILE 47 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1qr5 h ILE 47 Cb 0.00 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 1qr5 h ILE 47 CO 0.00 0.00 0.00 0.23 -0.69 0.00 0.00 178.15 177.69 1qr5 n MET 48 N -3.75 0.00 -0.12 2.37 2.81 -1.26 -4.87 117.12 112.30 1qr5 n MET 48 Ca 0.07 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.90 1qr5 n MET 48 Cb 0.59 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 33.11 1qr5 n MET 48 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1qr5 h GLY 49 N 0.00 0.06 1.34 3.03 0.00 -1.84 0.71 103.07 106.37 1qr5 h GLY 49 Ca 0.00 0.27 -0.20 0.00 0.00 0.00 0.00 47.33 47.40 1qr5 h GLY 49 CO 0.00 -0.20 -0.71 -0.39 0.00 0.00 0.00 176.54 175.24 1qr5 h VAL 50 N -0.14 1.31 0.12 4.60 -1.51 -1.80 -2.62 116.25 116.21 1qr5 h VAL 50 Ca 0.20 -1.97 0.01 0.00 -1.23 0.00 0.00 66.70 63.71 1qr5 h VAL 50 Cb 0.45 1.95 -0.02 0.00 -2.13 0.00 0.00 31.29 31.53 1qr5 h VAL 50 CO -0.50 0.62 -0.19 0.24 -1.23 0.00 0.00 177.57 176.51 1qr5 h MET 51 N 0.47 -0.36 -0.81 5.19 2.86 -1.43 -1.66 114.93 119.19 1qr5 h MET 51 Ca -0.03 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1qr5 h MET 51 Cb 1.31 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 33.00 1qr5 h MET 51 CO 0.14 -0.24 0.53 0.66 1.06 0.00 0.00 176.91 179.06 1qr5 h SER 52 N -0.37 0.81 -0.04 1.22 4.64 0.35 -0.81 113.55 119.36 1qr5 h SER 52 Ca 0.02 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1qr5 h SER 52 Cb 0.38 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1qr5 h SER 52 CO -0.10 0.54 0.01 -0.07 -0.87 0.00 0.00 176.83 176.34 1qr5 h LEU 53 N 0.93 0.09 0.00 5.97 3.38 -0.94 -3.47 115.31 121.28 1qr5 h LEU 53 Ca 0.34 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1qr5 h LEU 53 Cb 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1qr5 h LEU 53 CO -0.11 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1qr5 n GLY 54 N -1.40 3.14 3.86 0.83 0.00 -0.31 -4.91 105.19 106.41 1qr5 n GLY 54 Ca -0.02 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 1qr5 n GLY 54 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qr5 n VAL 55 N 0.00 -2.23 -1.85 1.61 0.31 -1.23 -4.72 118.33 110.21 1qr5 n VAL 55 Ca 0.00 -0.31 -0.07 0.00 -0.01 0.00 0.00 64.34 63.95 1qr5 n VAL 55 Cb 0.00 -1.93 0.04 0.00 -0.91 0.00 0.00 33.84 31.04 1qr5 n VAL 55 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qr5 n GLY 56 N -1.72 -0.13 3.69 2.92 0.00 -1.26 -3.33 105.19 105.36 1qr5 n GLY 56 Ca -0.15 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1qr5 n GLY 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qr5 s LYS 57 N -3.38 4.39 0.00 1.61 2.20 -1.26 -2.46 119.74 120.84 1qr5 s LYS 57 Ca 0.18 1.64 0.00 0.00 -0.36 0.00 0.00 55.97 57.43 1qr5 s LYS 57 Cb -0.01 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1qr5 s LYS 57 CO 0.12 -0.38 0.00 -0.25 -0.36 0.00 0.00 175.35 174.49 1qr5 n ASP 58 N 4.90 -2.03 -4.67 1.43 8.00 0.29 -4.94 116.55 119.53 1qr5 n ASP 58 Ca 0.10 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.18 1qr5 n ASP 58 Cb 0.47 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1qr5 n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qr5 s ALA 59 N -2.00 3.63 0.01 2.24 0.00 -1.03 -4.74 121.76 119.87 1qr5 s ALA 59 Ca 0.00 1.27 -0.20 0.00 0.00 0.00 0.00 51.96 53.03 1qr5 s ALA 59 Cb 0.00 -3.80 -0.06 0.00 0.00 0.00 0.00 23.12 19.27 1qr5 s ALA 59 CO 0.00 -1.42 0.58 -1.21 0.00 0.00 0.00 175.76 173.71 1qr5 s GLU 60 N 3.86 4.28 0.32 0.00 8.01 -1.26 -1.96 118.70 131.95 1qr5 s GLU 60 Ca 0.83 0.72 -0.03 0.00 0.01 0.00 0.00 54.97 56.50 1qr5 s GLU 60 Cb -0.41 -3.32 -0.01 0.00 -4.31 0.00 0.00 34.13 26.08 1qr5 s GLU 60 CO 0.37 0.43 0.42 0.96 0.01 0.00 0.00 175.26 177.46 1qr5 s ILE 61 N -0.38 0.00 -0.25 -1.63 -4.36 -1.05 -0.58 121.20 112.95 1qr5 s ILE 61 Ca 0.30 -1.65 -0.02 0.00 -0.26 0.00 0.00 60.65 59.02 1qr5 s ILE 61 Cb -0.18 -2.56 0.14 0.00 1.25 0.00 0.00 42.46 41.11 1qr5 s ILE 61 CO 0.17 0.00 0.41 -0.89 0.24 0.00 0.00 174.94 174.87 1qr5 s THR 62 N -3.32 -0.66 0.25 8.37 2.01 -1.06 -2.01 115.64 119.22 1qr5 s THR 62 Ca 0.31 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 1qr5 s THR 62 Cb 0.01 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 1qr5 s THR 62 CO 0.19 -0.11 0.49 -0.63 -0.69 0.00 0.00 174.62 173.87 1qr5 s ILE 63 N 2.59 5.10 -0.08 1.82 -1.09 0.92 -0.29 121.20 130.17 1qr5 s ILE 63 Ca 0.14 -0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 58.39 1qr5 s ILE 63 Cb -0.15 -3.74 0.04 0.00 -1.58 0.00 0.00 42.46 37.03 1qr5 s ILE 63 CO -0.17 -0.27 0.10 -0.31 -1.23 0.00 0.00 174.94 173.06 1qr5 s TYR 64 N -2.00 0.00 -0.20 3.97 1.51 0.31 -0.98 117.35 119.97 1qr5 s TYR 64 Ca 0.41 0.24 -0.10 0.00 -1.01 0.00 0.00 57.07 56.62 1qr5 s TYR 64 Cb -0.11 -0.46 -0.05 0.00 -0.11 0.00 0.00 41.96 41.24 1qr5 s TYR 64 CO 0.30 -0.29 0.13 0.00 -1.11 0.00 0.00 175.55 174.57 1qr5 s ALA 65 N 2.21 3.67 -0.34 3.71 0.00 -0.80 0.09 121.76 130.29 1qr5 s ALA 65 Ca 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1qr5 s ALA 65 Cb -0.13 -2.15 0.11 0.00 0.00 0.00 0.00 23.12 20.95 1qr5 s ALA 65 CO -0.05 0.15 0.15 -0.51 0.00 0.00 0.00 175.76 175.50 1qr5 s ASP 66 N 0.38 3.66 0.00 0.00 1.11 0.21 -1.72 116.67 120.30 1qr5 s ASP 66 Ca 0.08 -1.88 0.00 0.00 0.18 0.00 0.00 52.55 50.93 1qr5 s ASP 66 Cb -0.11 -0.71 0.00 0.00 1.07 0.00 0.00 42.92 43.16 1qr5 s ASP 66 CO -0.02 -0.37 0.00 0.61 1.18 0.00 0.00 175.17 176.57 1qr5 n GLY 67 N 4.51 -0.66 0.23 0.21 0.00 -1.26 -1.48 105.19 106.74 1qr5 n GLY 67 Ca 0.02 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 1qr5 n GLY 67 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qr5 h SER 68 N 0.00 -0.43 -0.67 1.61 4.64 -1.94 -3.31 113.55 113.45 1qr5 h SER 68 Ca 0.00 -0.03 -0.42 0.00 -0.47 0.00 0.00 61.79 60.87 1qr5 h SER 68 Cb 0.00 0.11 -0.20 0.00 -0.31 0.00 0.00 62.40 62.00 1qr5 h SER 68 CO 0.00 0.02 0.54 0.47 -0.87 0.00 0.00 176.83 176.99 1qr5 n ASP 69 N -5.11 5.77 0.28 4.97 9.92 -1.26 -4.51 116.55 126.61 1qr5 n ASP 69 Ca -0.07 -3.25 0.16 0.00 -0.53 0.00 0.00 54.79 51.10 1qr5 n ASP 69 Cb 0.22 -0.93 0.81 0.00 -0.64 0.00 0.00 41.12 40.59 1qr5 n ASP 69 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1qr5 h GLU 70 N 1.33 0.00 0.00 -1.24 4.11 -1.88 0.21 114.58 117.11 1qr5 h GLU 70 Ca 0.42 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.79 1qr5 h GLU 70 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1qr5 h GLU 70 CO 0.96 0.07 -0.53 0.00 0.07 0.00 0.00 179.01 179.59 1qr5 h ALA 71 N 1.93 0.06 -0.25 1.06 0.00 -1.89 -3.36 119.26 116.81 1qr5 h ALA 71 Ca -0.00 -0.56 0.07 0.00 0.00 0.00 0.00 54.91 54.41 1qr5 h ALA 71 Cb 0.34 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1qr5 h ALA 71 CO 0.01 0.39 0.18 0.22 0.00 0.00 0.00 179.25 180.05 1qr5 h ASP 72 N -1.00 0.04 0.02 0.00 1.82 -1.89 -3.01 116.42 112.40 1qr5 h ASP 72 Ca -0.08 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.57 1qr5 h ASP 72 Cb 0.64 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.60 1qr5 h ASP 72 CO -0.05 0.02 -0.37 0.00 -1.61 0.00 0.00 179.24 177.23 1qr5 h ALA 73 N 1.87 -0.82 -0.94 -0.78 0.00 -0.72 -2.02 119.26 115.85 1qr5 h ALA 73 Ca 0.12 -0.06 0.28 0.00 0.00 0.00 0.00 54.91 55.25 1qr5 h ALA 73 Cb 0.42 0.81 -0.16 0.00 0.00 0.00 0.00 17.79 18.86 1qr5 h ALA 73 CO -0.01 -0.93 0.30 0.82 0.00 0.00 0.00 179.25 179.44 1qr5 h ILE 74 N -0.48 0.22 0.00 0.00 5.03 -1.67 1.04 117.51 121.64 1qr5 h ILE 74 Ca 0.01 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.69 1qr5 h ILE 74 Cb 0.51 0.03 0.00 0.00 -3.03 0.00 0.00 36.82 34.33 1qr5 h ILE 74 CO -0.24 0.03 0.00 0.00 -0.68 0.00 0.00 178.15 177.26 1qr5 n GLN 75 N -5.24 0.00 -0.05 2.37 6.02 -0.79 -0.25 117.38 119.44 1qr5 n GLN 75 Ca 0.26 0.45 0.11 0.00 -0.01 0.00 0.00 57.00 57.81 1qr5 n GLN 75 Cb 0.83 -1.41 0.50 0.00 1.02 0.00 0.00 30.24 31.18 1qr5 n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qr5 h ALA 76 N -1.93 1.99 -0.82 -1.58 0.00 -1.09 0.24 119.26 116.07 1qr5 h ALA 76 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1qr5 h ALA 76 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1qr5 h ALA 76 CO 0.00 -0.10 0.47 0.82 0.00 0.00 0.00 179.25 180.44 1qr5 h ILE 77 N 0.39 1.23 0.41 0.00 1.08 0.12 -1.70 117.51 119.04 1qr5 h ILE 77 Ca 0.24 -0.55 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1qr5 h ILE 77 Cb 0.44 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 1qr5 h ILE 77 CO -0.06 0.25 -0.32 0.74 -0.69 0.00 0.00 178.15 178.07 1qr5 h THR 78 N 1.13 0.34 -0.90 -0.27 2.02 0.15 0.46 112.91 115.84 1qr5 h THR 78 Ca 0.29 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.70 1qr5 h THR 78 Cb -0.01 0.34 -0.13 0.00 -1.74 0.00 0.00 68.15 66.61 1qr5 h THR 78 CO -0.05 0.00 0.38 -0.78 0.37 0.00 0.00 175.52 175.44 1qr5 h ASP 79 N -0.73 0.29 0.48 4.18 3.58 -1.24 2.08 116.42 125.07 1qr5 h ASP 79 Ca -0.04 0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1qr5 h ASP 79 Cb 0.63 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.84 1qr5 h ASP 79 CO -0.01 -0.04 -0.23 0.58 -2.88 0.00 0.00 179.24 176.66 1qr5 h VAL 80 N 0.36 0.00 -0.95 2.25 2.07 -0.37 -1.21 116.25 118.40 1qr5 h VAL 80 Ca 0.58 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.93 1qr5 h VAL 80 Cb 1.13 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1qr5 h VAL 80 CO -0.56 0.00 0.63 -0.07 0.02 0.00 0.00 177.57 177.59 1qr5 h LEU 81 N -0.84 1.06 -2.23 2.57 3.38 0.49 -0.30 115.31 119.45 1qr5 h LEU 81 Ca -0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1qr5 h LEU 81 Cb 0.49 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1qr5 h LEU 81 CO 0.11 0.75 -0.03 -1.28 0.09 0.00 0.00 178.44 178.08 1qr5 h SER 82 N 1.24 0.00 -0.31 -0.43 0.87 0.33 -1.88 113.55 113.38 1qr5 h SER 82 Ca 0.36 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.93 1qr5 h SER 82 Cb -0.07 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1qr5 h SER 82 CO -0.09 0.03 0.20 0.50 -0.53 0.00 0.00 176.83 176.93 1qr5 h LYS 83 N 0.00 0.37 0.00 2.24 1.63 0.24 -0.44 116.57 120.62 1qr5 h LYS 83 Ca -0.00 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1qr5 h LYS 83 Cb 0.06 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1qr5 h LYS 83 CO 0.00 0.24 -0.10 1.05 -3.45 0.00 0.00 179.45 177.20 1qr5 h GLU 84 N 0.38 0.00 0.00 1.90 4.11 -1.42 -1.25 114.58 118.30 1qr5 h GLU 84 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.55 1qr5 h GLU 84 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1qr5 h GLU 84 CO -0.03 0.10 0.00 0.41 0.07 0.00 0.00 179.01 179.56 1qr5 n GLY 85 N -0.84 -0.74 0.00 1.06 0.00 -0.17 -2.12 105.19 102.37 1qr5 n GLY 85 Ca -0.02 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1qr5 n GLY 85 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1qr5 n LEU 86 N -1.69 0.00 0.00 0.99 -0.00 -0.47 -4.25 117.00 111.57 1qr5 n LEU 86 Ca 0.01 0.17 0.00 0.00 -0.00 0.00 0.00 56.01 56.19 1qr5 n LEU 86 Cb 0.06 -0.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.31 1qr5 n LEU 86 CO 0.06 -0.11 0.00 0.35 -0.00 0.00 0.00 177.39 177.69 1qr5 n THR 87 N -1.17 0.00 0.00 1.47 -2.24 -0.90 -5.18 114.28 106.26 1qr5 n THR 87 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1qr5 n THR 87 Cb 0.07 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1qr5 n THR 87 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66