#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 3.27 -0.09 3.17 0.41 -0.98 -4.95 118.70 119.53 1qr5 s GLU 2 Ca 0.00 -0.56 -0.30 0.00 -0.41 0.00 0.00 54.97 53.70 1qr5 s GLU 2 Cb 0.00 -2.68 0.11 0.00 -1.78 0.00 0.00 34.13 29.77 1qr5 s GLU 2 CO 0.00 0.02 0.89 1.14 -0.49 0.00 0.00 175.26 176.82 1qr5 s GLN 3 N -4.33 0.78 -0.30 1.61 1.03 -1.26 -1.53 119.66 115.66 1qr5 s GLN 3 Ca 0.43 0.03 -0.13 0.00 0.04 0.00 0.00 55.36 55.73 1qr5 s GLN 3 Cb -0.10 0.36 0.14 0.00 0.03 0.00 0.00 33.01 33.45 1qr5 s GLN 3 CO 0.35 -0.27 0.82 -0.65 -2.54 0.00 0.00 175.29 172.99 1qr5 s GLN 4 N -1.74 0.46 0.26 9.60 -0.21 0.31 -4.97 119.66 123.37 1qr5 s GLN 4 Ca -0.02 1.07 -0.10 0.00 0.02 0.00 0.00 55.36 56.33 1qr5 s GLN 4 Cb -0.01 0.56 -0.07 0.00 1.00 0.00 0.00 33.01 34.49 1qr5 s GLN 4 CO 0.00 -0.14 0.60 -1.54 -2.12 0.00 0.00 175.29 172.09 1qr5 s SER 5 N 2.45 6.63 0.30 5.90 1.04 -1.26 -2.12 113.70 126.65 1qr5 s SER 5 Ca -0.05 0.99 0.02 0.00 0.48 0.00 0.00 55.95 57.39 1qr5 s SER 5 Cb -0.08 -2.25 -0.02 0.00 0.10 0.00 0.00 66.02 63.76 1qr5 s SER 5 CO -0.18 -0.13 0.30 -0.31 0.98 0.00 0.00 173.24 173.90 1qr5 s TYR 6 N -1.91 1.39 -0.25 5.02 2.02 -0.76 -4.95 117.35 117.91 1qr5 s TYR 6 Ca 0.49 -1.47 -0.03 0.00 -0.37 0.00 0.00 57.07 55.69 1qr5 s TYR 6 Cb -0.11 -0.49 0.14 0.00 -0.40 0.00 0.00 41.96 41.10 1qr5 s TYR 6 CO 0.22 -0.89 0.44 -0.08 -1.57 0.00 0.00 175.55 173.67 1qr5 s THR 7 N -3.54 -0.70 0.34 -0.71 -1.32 -1.26 -0.86 115.64 107.59 1qr5 s THR 7 Ca 0.37 -0.01 0.04 0.00 -1.21 0.00 0.00 61.69 60.87 1qr5 s THR 7 Cb 0.03 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 70.15 1qr5 s THR 7 CO 0.22 -0.06 0.14 -0.63 -2.21 0.00 0.00 174.62 172.07 1qr5 s ILE 8 N 2.63 0.52 -1.18 5.08 1.01 -1.02 -4.97 121.20 123.27 1qr5 s ILE 8 Ca 0.11 -2.00 0.14 0.00 0.00 0.00 0.00 60.65 58.90 1qr5 s ILE 8 Cb -0.15 -2.49 0.57 0.00 0.01 0.00 0.00 42.46 40.41 1qr5 s ILE 8 CO -0.16 0.00 1.44 2.30 0.00 0.00 0.00 174.94 178.52 1qr5 n ILE 9 N -0.71 1.47 -1.86 2.92 -6.64 -1.26 0.55 119.36 113.82 1qr5 n ILE 9 Ca -0.02 -0.93 -0.31 0.00 -1.77 0.00 0.00 62.75 59.73 1qr5 n ILE 9 Cb 0.65 0.01 -0.06 0.00 -1.44 0.00 0.00 39.64 38.80 1qr5 n ILE 9 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 1qr5 n ASP 10 N 0.82 2.90 -0.17 7.28 5.75 -1.26 -4.58 116.55 127.29 1qr5 n ASP 10 Ca 0.20 -2.69 0.23 0.00 -0.01 0.00 0.00 54.79 52.52 1qr5 n ASP 10 Cb 0.74 -1.61 0.63 0.00 -1.03 0.00 0.00 41.12 39.85 1qr5 n ASP 10 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1qr5 h GLU 11 N 9.42 0.17 0.12 0.11 4.22 -1.75 0.17 114.58 127.04 1qr5 h GLU 11 Ca 0.25 -0.01 -0.29 0.00 0.08 0.00 0.00 59.36 59.39 1qr5 h GLU 11 Cb 0.89 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1qr5 h GLU 11 CO 1.37 0.11 -1.40 1.79 -2.18 0.00 0.00 179.01 178.70 1qr5 h THR 12 N 0.17 1.31 0.00 0.32 1.35 -1.84 -3.34 112.91 110.89 1qr5 h THR 12 Ca 0.41 -2.92 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 1qr5 h THR 12 Cb 1.34 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 70.60 1qr5 h THR 12 CO -0.08 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 1qr5 n GLY 13 N 1.60 1.54 2.26 5.82 0.00 0.58 -4.45 105.19 112.55 1qr5 n GLY 13 Ca -0.13 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 1qr5 n GLY 13 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qr5 n ILE 14 N 0.00 -0.40 0.00 -0.61 -0.00 -1.26 -4.81 119.36 112.28 1qr5 n ILE 14 Ca 0.00 -4.07 0.00 0.00 -0.00 0.00 0.00 62.75 58.68 1qr5 n ILE 14 Cb 0.00 -1.93 0.00 0.00 -0.00 0.00 0.00 39.64 37.71 1qr5 n ILE 14 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1qr5 n HIS 15 N 1.59 -0.32 0.05 1.39 1.44 -1.26 -4.22 115.22 113.90 1qr5 n HIS 15 Ca 0.23 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.99 1qr5 n HIS 15 Cb 0.50 0.00 0.46 0.00 0.12 0.00 0.00 29.99 31.08 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 1.76 0.21 1.59 0.00 -1.98 -0.90 119.26 117.93 1qr5 h ALA 16 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1qr5 h ALA 16 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1qr5 h ALA 16 CO 0.00 0.22 -0.10 -0.09 0.00 0.00 0.00 179.25 179.28 1qr5 h ARG 17 N 0.45 -0.27 0.00 0.00 2.43 -1.94 -3.09 114.38 111.96 1qr5 h ARG 17 Ca 0.12 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1qr5 h ARG 17 Cb -0.04 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1qr5 h ARG 17 CO -0.03 -0.18 -0.02 -1.00 -1.51 0.00 0.00 179.97 177.24 1qr5 h PRO 18 N -0.73 0.00 0.49 0.20 0.13 -1.87 -2.37 132.00 127.85 1qr5 h PRO 18 Ca -0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1qr5 h PRO 18 Cb 0.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.35 1qr5 h PRO 18 CO 0.05 0.02 -0.23 0.00 -0.23 0.00 0.00 178.00 177.60 1qr5 h ALA 19 N 1.98 -1.05 -0.71 -0.56 0.00 -1.27 0.23 119.26 117.88 1qr5 h ALA 19 Ca -0.00 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 54.94 1qr5 h ALA 19 Cb 0.04 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1qr5 h ALA 19 CO 0.00 -1.00 0.49 1.15 0.00 0.00 0.00 179.25 179.89 1qr5 h THR 20 N -0.72 0.73 0.43 0.00 2.02 -1.49 -0.81 112.91 113.05 1qr5 h THR 20 Ca -0.07 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1qr5 h THR 20 Cb 0.50 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1qr5 h THR 20 CO 0.11 0.04 -0.20 0.24 0.37 0.00 0.00 175.52 176.07 1qr5 h MET 21 N 0.20 -0.55 -0.51 6.66 2.07 -1.24 -2.80 114.93 118.75 1qr5 h MET 21 Ca 0.35 0.04 0.04 0.00 -2.07 0.00 0.00 59.70 58.06 1qr5 h MET 21 Cb 1.07 0.13 -0.03 0.00 -1.87 0.00 0.00 31.60 30.89 1qr5 h MET 21 CO -0.07 -0.26 0.34 -0.07 1.07 0.00 0.00 176.91 177.92 1qr5 h LEU 22 N -0.80 0.46 0.30 1.22 3.38 -0.03 0.41 115.31 120.25 1qr5 h LEU 22 Ca -0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1qr5 h LEU 22 Cb 0.54 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1qr5 h LEU 22 CO 0.10 0.31 -0.28 0.58 0.09 0.00 0.00 178.44 179.24 1qr5 h VAL 23 N 0.53 0.00 -0.41 1.22 2.07 -1.04 0.52 116.25 119.14 1qr5 h VAL 23 Ca 0.21 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.69 1qr5 h VAL 23 Cb 0.19 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1qr5 h VAL 23 CO -0.06 0.00 0.08 -0.61 0.02 0.00 0.00 177.57 177.00 1qr5 h GLN 24 N -0.57 0.67 0.56 1.57 -0.00 -1.28 0.28 115.11 116.34 1qr5 h GLN 24 Ca -0.04 -0.17 -0.02 0.00 -0.00 0.00 0.00 58.65 58.42 1qr5 h GLN 24 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.88 1qr5 h GLN 24 CO -0.02 0.70 -0.44 1.15 0.00 0.00 0.00 178.83 180.22 1qr5 h THR 25 N 0.53 0.00 -0.70 2.39 2.02 -0.12 0.36 112.91 117.40 1qr5 h THR 25 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1qr5 h THR 25 Cb 0.35 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 1qr5 h THR 25 CO 0.01 0.00 0.43 0.00 0.37 0.00 0.00 175.52 176.32 1qr5 h ALA 26 N -1.13 0.89 -0.41 6.16 0.00 0.01 -1.91 119.26 122.88 1qr5 h ALA 26 Ca -0.07 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1qr5 h ALA 26 Cb 0.81 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1qr5 h ALA 26 CO 0.01 0.35 0.27 0.77 0.00 0.00 0.00 179.25 180.66 1qr5 h SER 27 N 0.95 0.32 0.23 0.00 0.02 -0.20 0.44 113.55 115.31 1qr5 h SER 27 Ca 0.25 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1qr5 h SER 27 Cb -0.04 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1qr5 h SER 27 CO -0.05 0.22 -0.11 0.11 -1.14 0.00 0.00 176.83 175.86 1qr5 h LYS 28 N 0.37 -0.29 -0.32 3.45 1.57 0.54 -2.99 116.57 118.90 1qr5 h LYS 28 Ca 0.17 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1qr5 h LYS 28 Cb 0.22 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1qr5 h LYS 28 CO -0.04 -0.06 -0.18 0.74 -0.57 0.00 0.00 179.45 179.34 1qr5 h PHE 29 N -0.48 0.65 0.00 -1.35 0.04 -1.16 -3.47 116.94 111.18 1qr5 h PHE 29 Ca -0.03 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.62 1qr5 h PHE 29 Cb 0.36 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1qr5 h PHE 29 CO -0.01 0.73 0.00 -0.40 -0.60 0.00 0.00 178.31 178.03 1qr5 n ASP 30 N -4.15 0.00 -4.73 2.17 5.75 0.15 -3.56 116.55 112.18 1qr5 n ASP 30 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.37 1qr5 n ASP 30 Cb 0.38 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.44 1qr5 n ASP 30 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1qr5 s SER 31 N -0.91 6.83 -0.34 -1.12 1.04 -1.26 -4.89 113.70 113.05 1qr5 s SER 31 Ca 0.00 2.41 -0.29 0.00 0.48 0.00 0.00 55.95 58.55 1qr5 s SER 31 Cb 0.00 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.54 1qr5 s SER 31 CO 0.00 -0.61 1.08 -0.62 0.98 0.00 0.00 173.24 174.06 1qr5 s ASP 32 N 0.71 6.88 -0.24 7.02 2.15 -0.30 -4.65 116.67 128.24 1qr5 s ASP 32 Ca 0.61 0.94 -0.13 0.00 0.43 0.00 0.00 52.55 54.40 1qr5 s ASP 32 Cb -0.37 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.66 1qr5 s ASP 32 CO 0.35 -0.93 0.28 -0.63 -0.17 0.00 0.00 175.17 174.06 1qr5 s ILE 33 N 3.76 5.27 -0.52 4.11 1.01 -1.25 -0.24 121.20 133.33 1qr5 s ILE 33 Ca 0.45 0.41 -0.19 0.00 0.00 0.00 0.00 60.65 61.33 1qr5 s ILE 33 Cb -0.11 -3.61 0.07 0.00 0.01 0.00 0.00 42.46 38.82 1qr5 s ILE 33 CO 0.18 0.27 0.63 0.00 0.00 0.00 0.00 174.94 176.02 1qr5 s GLN 34 N 1.40 3.09 -0.29 2.79 -2.07 0.26 -2.60 119.66 122.24 1qr5 s GLN 34 Ca 0.12 -1.03 -0.12 0.00 -1.82 0.00 0.00 55.36 52.52 1qr5 s GLN 34 Cb -0.15 -4.14 -0.04 0.00 -1.09 0.00 0.00 33.01 27.59 1qr5 s GLN 34 CO 0.07 -1.28 0.22 -1.17 -1.32 0.00 0.00 175.29 171.81 1qr5 s LEU 35 N 2.57 4.09 0.53 2.60 0.20 0.15 -1.26 118.68 127.56 1qr5 s LEU 35 Ca 0.13 -0.03 0.02 0.00 0.69 0.00 0.00 54.13 54.95 1qr5 s LEU 35 Cb -0.21 -2.16 0.03 0.00 -0.43 0.00 0.00 46.19 43.42 1qr5 s LEU 35 CO 0.10 -0.09 0.75 -1.61 -0.29 0.00 0.00 176.35 175.20 1qr5 s GLU 36 N 1.80 2.61 -0.31 1.98 8.01 0.11 -2.69 118.70 130.20 1qr5 s GLU 36 Ca 0.08 -0.81 -0.00 0.00 0.01 0.00 0.00 54.97 54.24 1qr5 s GLU 36 Cb -0.16 -2.52 0.13 0.00 -4.31 0.00 0.00 34.13 27.27 1qr5 s GLU 36 CO 0.11 -0.64 0.27 -0.47 0.01 0.00 0.00 175.26 174.54 1qr5 s TYR 37 N -2.70 -0.21 0.00 1.61 5.04 -1.04 -2.59 117.35 117.46 1qr5 s TYR 37 Ca 0.56 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.68 1qr5 s TYR 37 Cb -0.10 -0.56 0.00 0.00 0.35 0.00 0.00 41.96 41.64 1qr5 s TYR 37 CO 0.38 -0.91 0.00 0.27 -1.34 0.00 0.00 175.55 173.95 1qr5 n ASN 38 N 5.02 0.00 -1.85 4.32 6.94 -0.50 -1.18 115.26 128.01 1qr5 n ASN 38 Ca 0.01 0.00 0.02 0.00 -0.02 0.00 0.00 54.58 54.59 1qr5 n ASN 38 Cb 0.45 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.90 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 0.00 1.53 3.25 4.83 0.00 -1.26 -5.05 105.19 108.49 1qr5 n GLY 39 Ca 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 1qr5 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qr5 s LYS 40 N -1.31 1.32 -0.28 1.61 3.01 -0.33 -5.16 119.74 118.61 1qr5 s LYS 40 Ca 0.33 -1.71 -0.02 0.00 -1.01 0.00 0.00 55.97 53.56 1qr5 s LYS 40 Cb 0.37 0.12 0.17 0.00 -1.01 0.00 0.00 37.83 37.48 1qr5 s LYS 40 CO -0.12 -0.39 0.51 0.21 0.51 0.00 0.00 175.35 176.07 1qr5 s LYS 41 N -4.05 0.48 0.29 1.68 2.36 -1.26 -2.49 119.74 116.75 1qr5 s LYS 41 Ca 0.39 0.82 -0.13 0.00 -2.55 0.00 0.00 55.97 54.50 1qr5 s LYS 41 Cb 0.07 0.15 0.01 0.00 -1.05 0.00 0.00 37.83 37.01 1qr5 s LYS 41 CO 0.14 -0.63 0.57 0.14 1.55 0.00 0.00 175.35 177.11 1qr5 s VAL 42 N 2.74 0.00 0.02 4.02 -7.23 -1.10 -4.99 120.40 113.87 1qr5 s VAL 42 Ca 0.18 -1.31 -0.28 0.00 -1.81 0.00 0.00 61.98 58.75 1qr5 s VAL 42 Cb -0.15 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1qr5 s VAL 42 CO -0.19 0.00 0.89 0.21 -0.31 0.00 0.00 175.10 175.70 1qr5 s ASN 43 N -3.05 7.31 -0.43 4.85 2.47 -1.26 0.32 114.94 125.15 1qr5 s ASN 43 Ca 0.21 1.58 -0.03 0.00 0.42 0.00 0.00 52.86 55.04 1qr5 s ASN 43 Cb -0.02 -2.53 -0.06 0.00 -1.45 0.00 0.00 41.25 37.19 1qr5 s ASN 43 CO 0.11 -0.14 1.74 0.00 -3.72 0.00 0.00 177.10 175.09 1qr5 n LEU 44 N 3.43 2.93 0.23 3.21 -0.00 -1.07 -4.46 117.00 121.27 1qr5 n LEU 44 Ca 0.02 -2.05 0.16 0.00 -0.00 0.00 0.00 56.01 54.15 1qr5 n LEU 44 Cb 0.50 -0.79 0.72 0.00 -0.00 0.00 0.00 43.42 43.85 1qr5 n LEU 44 CO 0.50 0.13 0.97 0.50 -0.00 0.00 0.00 177.39 179.49 1qr5 h LYS 45 N 6.21 0.00 0.00 1.47 3.64 -1.91 -3.47 116.57 122.52 1qr5 h LYS 45 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1qr5 h LYS 45 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1qr5 h LYS 45 CO 1.01 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 177.06 1qr5 n SER 46 N -2.72 0.00 0.06 4.20 3.41 -1.26 -4.58 113.62 112.72 1qr5 n SER 46 Ca 0.00 0.00 0.21 0.00 -0.26 0.00 0.00 58.87 58.82 1qr5 n SER 46 Cb 0.20 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 64.89 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 0.41 0.00 -1.33 2.04 -1.92 -3.39 117.51 113.32 1qr5 h ILE 47 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1qr5 h ILE 47 Cb 0.00 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1qr5 h ILE 47 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 178.15 178.38 1qr5 n MET 48 N -3.81 0.00 -0.14 2.37 2.81 -1.26 -4.95 117.12 112.14 1qr5 n MET 48 Ca 0.08 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.94 1qr5 n MET 48 Cb 0.65 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 33.21 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 0.51 0.54 3.03 0.00 -1.78 0.26 103.07 105.62 1qr5 h GLY 49 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1qr5 h GLY 49 CO 0.00 -0.09 -0.01 -0.39 0.00 0.00 0.00 176.54 176.05 1qr5 h VAL 50 N 0.16 1.34 -0.88 4.60 -1.51 -1.79 -2.59 116.25 115.59 1qr5 h VAL 50 Ca 0.23 -1.08 0.03 0.00 -1.23 0.00 0.00 66.70 64.65 1qr5 h VAL 50 Cb 0.32 2.07 -0.05 0.00 -2.13 0.00 0.00 31.29 31.50 1qr5 h VAL 50 CO -0.34 0.28 0.57 0.00 -1.23 0.00 0.00 177.57 176.85 1qr5 h MET 51 N -0.48 1.09 -0.89 5.19 -0.00 -1.72 -1.02 114.93 117.10 1qr5 h MET 51 Ca -0.00 -0.07 0.05 0.00 -0.00 0.00 0.00 59.70 59.68 1qr5 h MET 51 Cb 0.47 -0.25 -0.06 0.00 -0.00 0.00 0.00 31.60 31.76 1qr5 h MET 51 CO 0.00 0.72 0.57 1.03 -0.00 0.00 0.00 176.91 179.23 1qr5 h SER 52 N 1.12 0.92 0.20 -0.10 0.87 -0.50 -2.72 113.55 113.35 1qr5 h SER 52 Ca 0.34 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1qr5 h SER 52 Cb -0.03 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1qr5 h SER 52 CO -0.11 0.61 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.64 1qr5 h LEU 53 N 1.07 -0.23 0.00 2.23 3.38 -0.90 -3.48 115.31 117.38 1qr5 h LEU 53 Ca 0.37 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1qr5 h LEU 53 Cb 0.09 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1qr5 h LEU 53 CO -0.15 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.03 1qr5 n GLY 54 N -0.58 3.07 3.11 0.83 0.00 -0.48 -4.91 105.19 106.23 1qr5 n GLY 54 Ca -0.09 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.13 -0.28 1.61 0.31 -1.26 -4.34 118.33 111.25 1qr5 n VAL 55 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1qr5 n VAL 55 Cb 0.00 -2.85 0.00 0.00 -0.91 0.00 0.00 33.84 30.08 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 -0.23 -1.35 3.74 2.92 0.00 -1.25 -2.79 105.19 106.22 1qr5 n GLY 56 Ca -0.09 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.01 4.54 0.00 1.61 2.20 -1.26 -2.32 119.74 123.50 1qr5 s LYS 57 Ca 0.00 1.78 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 1qr5 s LYS 57 Cb 0.00 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1qr5 s LYS 57 CO 0.00 -0.02 0.00 -0.25 -0.36 0.00 0.00 175.35 174.72 1qr5 n ASP 58 N 2.60 -3.25 -4.76 1.43 9.92 0.19 -4.93 116.55 117.74 1qr5 n ASP 58 Ca 0.04 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.89 1qr5 n ASP 58 Cb 0.46 -0.96 -0.01 0.00 -0.64 0.00 0.00 41.12 39.97 1qr5 n ASP 58 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qr5 s ALA 59 N -1.95 3.65 0.10 2.24 0.00 -0.98 -4.60 121.76 120.22 1qr5 s ALA 59 Ca 0.00 1.49 0.01 0.00 0.00 0.00 0.00 51.96 53.46 1qr5 s ALA 59 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1qr5 s ALA 59 CO 0.00 -0.92 0.23 -1.83 0.00 0.00 0.00 175.76 173.25 1qr5 s GLU 60 N -1.00 3.40 0.26 0.00 4.04 -1.26 -2.42 118.70 121.72 1qr5 s GLU 60 Ca 0.58 -0.53 -0.04 0.00 0.04 0.00 0.00 54.97 55.02 1qr5 s GLU 60 Cb -0.45 -2.98 -0.02 0.00 0.02 0.00 0.00 34.13 30.69 1qr5 s GLU 60 CO 0.51 0.57 0.33 0.96 -1.84 0.00 0.00 175.26 175.79 1qr5 s ILE 61 N -1.61 0.00 -0.27 1.83 -4.36 -0.04 -1.42 121.20 115.34 1qr5 s ILE 61 Ca 0.34 -1.72 -0.01 0.00 -0.26 0.00 0.00 60.65 59.01 1qr5 s ILE 61 Cb -0.12 -2.43 0.14 0.00 1.25 0.00 0.00 42.46 41.29 1qr5 s ILE 61 CO 0.28 0.00 0.34 -0.89 0.24 0.00 0.00 174.94 174.90 1qr5 s THR 62 N -3.80 -0.50 0.03 8.37 2.01 -1.07 -1.82 115.64 118.86 1qr5 s THR 62 Ca 0.32 -0.30 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 1qr5 s THR 62 Cb 0.02 -0.92 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 1qr5 s THR 62 CO 0.14 -0.31 0.30 -0.63 -0.69 0.00 0.00 174.62 173.43 1qr5 s ILE 63 N 2.45 5.25 -0.19 1.82 -1.09 -0.90 0.05 121.20 128.58 1qr5 s ILE 63 Ca 0.10 0.22 -0.04 0.00 -2.23 0.00 0.00 60.65 58.70 1qr5 s ILE 63 Cb -0.14 -3.59 0.09 0.00 -1.58 0.00 0.00 42.46 37.24 1qr5 s ILE 63 CO -0.26 0.33 0.23 -0.31 -1.23 0.00 0.00 174.94 173.70 1qr5 s TYR 64 N -1.34 -0.31 -0.06 3.97 1.51 -0.39 -0.53 117.35 120.20 1qr5 s TYR 64 Ca 0.30 0.33 -0.18 0.00 -1.01 0.00 0.00 57.07 56.50 1qr5 s TYR 64 Cb -0.13 -0.31 -0.05 0.00 -0.11 0.00 0.00 41.96 41.36 1qr5 s TYR 64 CO 0.17 -0.57 0.50 0.00 -1.11 0.00 0.00 175.55 174.54 1qr5 s ALA 65 N 2.34 3.52 -0.30 3.71 0.00 -0.58 0.89 121.76 131.34 1qr5 s ALA 65 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 1qr5 s ALA 65 Cb -0.15 -2.63 0.10 0.00 0.00 0.00 0.00 23.12 20.43 1qr5 s ALA 65 CO -0.12 0.15 0.08 -0.51 0.00 0.00 0.00 175.76 175.36 1qr5 s ASP 66 N 0.04 4.00 0.00 0.00 1.11 0.67 -2.33 116.67 120.16 1qr5 s ASP 66 Ca 0.27 -1.60 0.00 0.00 0.18 0.00 0.00 52.55 51.40 1qr5 s ASP 66 Cb -0.16 -0.92 0.00 0.00 1.07 0.00 0.00 42.92 42.90 1qr5 s ASP 66 CO 0.13 -0.40 0.00 0.61 1.18 0.00 0.00 175.17 176.70 1qr5 n GLY 67 N 4.81 -0.56 0.24 0.21 0.00 -1.26 -1.15 105.19 107.47 1qr5 n GLY 67 Ca -0.03 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.45 -0.74 1.61 4.64 -1.90 -3.29 113.55 113.41 1qr5 h SER 68 Ca 0.00 0.02 -0.43 0.00 -0.47 0.00 0.00 61.79 60.91 1qr5 h SER 68 Cb 0.00 0.12 -0.17 0.00 -0.31 0.00 0.00 62.40 62.04 1qr5 h SER 68 CO 0.00 -0.06 0.49 0.47 -0.87 0.00 0.00 176.83 176.86 1qr5 n ASP 69 N -4.91 6.67 0.28 4.97 8.00 -1.23 -4.55 116.55 125.77 1qr5 n ASP 69 Ca -0.07 -3.22 0.16 0.00 0.71 0.00 0.00 54.79 52.37 1qr5 n ASP 69 Cb 0.21 -1.10 0.77 0.00 -0.02 0.00 0.00 41.12 40.99 1qr5 n ASP 69 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1qr5 h GLU 70 N 1.99 0.00 0.05 -1.24 4.11 -1.86 -2.03 114.58 115.59 1qr5 h GLU 70 Ca 0.37 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.55 1qr5 h GLU 70 Cb 0.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1qr5 h GLU 70 CO 0.92 0.08 -1.33 0.00 0.07 0.00 0.00 179.01 178.75 1qr5 h ALA 71 N 1.92 0.25 -0.99 1.06 0.00 -1.89 -3.29 119.26 116.32 1qr5 h ALA 71 Ca -0.00 -1.16 0.15 0.00 0.00 0.00 0.00 54.91 53.90 1qr5 h ALA 71 Cb 0.37 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 1qr5 h ALA 71 CO 0.01 0.79 0.61 0.22 0.00 0.00 0.00 179.25 180.88 1qr5 h ASP 72 N -0.65 0.85 0.10 0.00 1.82 -1.89 -1.35 116.42 115.30 1qr5 h ASP 72 Ca -0.33 0.07 0.02 0.00 -0.39 0.00 0.00 57.03 56.40 1qr5 h ASP 72 Cb 1.52 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 41.40 1qr5 h ASP 72 CO -0.08 0.39 -0.27 0.00 -1.61 0.00 0.00 179.24 177.67 1qr5 h ALA 73 N 1.58 -0.44 -0.69 -0.78 0.00 -1.51 -2.35 119.26 115.08 1qr5 h ALA 73 Ca 0.53 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.55 1qr5 h ALA 73 Cb 0.66 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 18.78 1qr5 h ALA 73 CO -0.32 -0.80 0.04 0.82 0.00 0.00 0.00 179.25 178.99 1qr5 h ILE 74 N -0.47 0.45 0.00 0.00 1.08 -1.32 0.67 117.51 117.92 1qr5 h ILE 74 Ca 0.04 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1qr5 h ILE 74 Cb 0.50 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1qr5 h ILE 74 CO -0.17 0.03 0.00 0.00 -0.69 0.00 0.00 178.15 177.32 1qr5 n GLN 75 N -5.27 0.00 -0.23 2.37 3.00 -0.92 -0.89 117.38 115.44 1qr5 n GLN 75 Ca 0.12 0.56 0.05 0.00 -0.01 0.00 0.00 57.00 57.72 1qr5 n GLN 75 Cb 0.41 -1.45 0.30 0.00 0.00 0.00 0.00 30.24 29.50 1qr5 n GLN 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1qr5 h ALA 76 N -1.80 1.61 -0.79 -1.58 0.00 -1.30 -2.13 119.26 113.27 1qr5 h ALA 76 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qr5 h ALA 76 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1qr5 h ALA 76 CO 0.00 0.28 0.48 0.82 0.00 0.00 0.00 179.25 180.83 1qr5 h ILE 77 N 0.88 1.22 0.63 0.00 1.08 0.40 -2.75 117.51 118.98 1qr5 h ILE 77 Ca 0.34 -0.48 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 1qr5 h ILE 77 Cb 0.19 0.12 0.01 0.00 -3.07 0.00 0.00 36.82 34.07 1qr5 h ILE 77 CO -0.11 0.23 -0.30 0.74 -0.69 0.00 0.00 178.15 178.01 1qr5 h THR 78 N 1.08 0.00 -0.72 -0.27 2.02 -0.35 -0.70 112.91 113.97 1qr5 h THR 78 Ca 0.28 -0.02 0.24 0.00 0.77 0.00 0.00 66.41 67.69 1qr5 h THR 78 Cb -0.04 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.24 1qr5 h THR 78 CO -0.05 0.00 0.17 0.47 0.37 0.00 0.00 175.52 176.48 1qr5 n ASP 79 N -4.34 0.06 0.13 4.18 8.00 -1.02 0.29 116.55 123.84 1qr5 n ASP 79 Ca -0.11 1.21 -0.05 0.00 0.71 0.00 0.00 54.79 56.55 1qr5 n ASP 79 Cb 0.34 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 1qr5 n ASP 79 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1qr5 h VAL 80 N 0.00 0.00 -0.83 2.53 2.07 -1.17 -1.12 116.25 117.73 1qr5 h VAL 80 Ca 0.51 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.88 1qr5 h VAL 80 Cb 1.20 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1qr5 h VAL 80 CO -0.63 0.00 0.44 -0.07 0.02 0.00 0.00 177.57 177.33 1qr5 h LEU 81 N -0.47 1.05 -2.34 2.57 3.38 0.75 -1.38 115.31 118.87 1qr5 h LEU 81 Ca -0.04 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1qr5 h LEU 81 Cb 0.27 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1qr5 h LEU 81 CO 0.06 0.86 0.04 -1.28 0.09 0.00 0.00 178.44 178.21 1qr5 h SER 82 N 1.16 0.00 0.16 -0.43 0.87 0.42 -1.01 113.55 114.72 1qr5 h SER 82 Ca 0.29 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1qr5 h SER 82 Cb 0.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1qr5 h SER 82 CO -0.04 0.00 -0.15 0.50 -0.53 0.00 0.00 176.83 176.61 1qr5 h LYS 83 N 0.00 -0.29 0.00 2.24 3.11 -0.01 -3.44 116.57 118.17 1qr5 h LYS 83 Ca 0.02 0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.84 1qr5 h LYS 83 Cb 0.09 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.35 1qr5 h LYS 83 CO -0.00 -0.20 -0.07 -0.85 -2.81 0.00 0.00 179.45 175.52 1qr5 n GLU 84 N -3.22 0.26 -1.72 1.90 0.28 -1.15 -4.94 120.64 112.05 1qr5 n GLU 84 Ca -0.04 -0.29 -0.20 0.00 -0.16 0.00 0.00 57.16 56.47 1qr5 n GLU 84 Cb 0.14 0.22 -0.07 0.00 1.43 0.00 0.00 31.44 33.15 1qr5 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qr5 n GLY 85 N -0.29 1.46 2.67 -1.84 0.00 -0.39 -1.72 105.19 105.08 1qr5 n GLY 85 Ca -0.05 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 1qr5 n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qr5 n LEU 86 N -2.34 -2.17 0.00 0.99 4.32 -1.26 -4.68 117.00 111.86 1qr5 n LEU 86 Ca -0.20 -0.12 0.00 0.00 -0.02 0.00 0.00 56.01 55.67 1qr5 n LEU 86 Cb 0.65 -2.89 0.00 0.00 -1.62 0.00 0.00 43.42 39.56 1qr5 n LEU 86 CO 0.29 -0.03 0.00 0.35 -1.22 0.00 0.00 177.39 176.79 1qr5 n THR 87 N -4.17 0.00 1.50 -5.08 -2.24 -0.70 -4.80 114.28 98.78 1qr5 n THR 87 Ca -0.18 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1qr5 n THR 87 Cb 0.65 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 69.59 1qr5 n THR 87 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71