#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 3.14 0.15 3.17 1.03 -0.99 -4.96 118.70 120.23 1qr5 s GLU 2 Ca 0.00 -0.84 -0.20 0.00 0.03 0.00 0.00 54.97 53.96 1qr5 s GLU 2 Cb 0.00 -2.75 0.06 0.00 -0.80 0.00 0.00 34.13 30.63 1qr5 s GLU 2 CO 0.00 0.00 0.52 1.14 -1.33 0.00 0.00 175.26 175.60 1qr5 s GLN 3 N -4.27 1.21 -0.29 -4.83 -2.07 -1.26 -1.92 119.66 106.23 1qr5 s GLN 3 Ca 0.45 -0.57 -0.12 0.00 -1.82 0.00 0.00 55.36 53.29 1qr5 s GLN 3 Cb -0.10 0.54 0.12 0.00 -1.09 0.00 0.00 33.01 32.49 1qr5 s GLN 3 CO 0.33 -0.51 0.69 -0.65 -1.32 0.00 0.00 175.29 173.83 1qr5 s GLN 4 N -3.77 0.59 0.29 9.60 -1.52 0.39 -4.95 119.66 120.29 1qr5 s GLN 4 Ca 0.02 1.33 -0.02 0.00 -1.95 0.00 0.00 55.36 54.74 1qr5 s GLN 4 Cb 0.00 0.62 -0.04 0.00 -0.22 0.00 0.00 33.01 33.37 1qr5 s GLN 4 CO -0.12 -0.18 0.51 -1.54 -0.25 0.00 0.00 175.29 173.72 1qr5 s SER 5 N 2.48 6.37 0.32 5.90 1.04 -1.26 -0.77 113.70 127.78 1qr5 s SER 5 Ca -0.07 0.55 0.01 0.00 0.48 0.00 0.00 55.95 56.91 1qr5 s SER 5 Cb -0.09 -2.07 -0.01 0.00 0.10 0.00 0.00 66.02 63.94 1qr5 s SER 5 CO -0.19 -0.20 0.37 -0.31 0.98 0.00 0.00 173.24 173.89 1qr5 s TYR 6 N -2.12 1.30 -0.29 5.02 1.51 -0.48 -4.95 117.35 117.33 1qr5 s TYR 6 Ca 0.41 -1.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.09 1qr5 s TYR 6 Cb -0.10 -0.35 0.20 0.00 -0.11 0.00 0.00 41.96 41.59 1qr5 s TYR 6 CO 0.32 -0.98 0.61 -0.08 -1.11 0.00 0.00 175.55 174.30 1qr5 s THR 7 N -3.35 -0.98 0.20 -0.71 -1.32 -1.25 -2.19 115.64 106.04 1qr5 s THR 7 Ca 0.35 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.86 1qr5 s THR 7 Cb 0.01 -0.99 -0.01 0.00 -1.51 0.00 0.00 72.50 70.01 1qr5 s THR 7 CO 0.22 0.00 0.21 -0.38 -2.21 0.00 0.00 174.62 172.45 1qr5 n ILE 8 N 5.42 0.00 0.00 5.08 2.08 -1.03 -4.93 119.36 125.98 1qr5 n ILE 8 Ca 0.03 -1.32 0.00 0.00 0.56 0.00 0.00 62.75 62.02 1qr5 n ILE 8 Cb 0.53 0.70 0.00 0.00 -0.75 0.00 0.00 39.64 40.12 1qr5 n ILE 8 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1qr5 n ILE 9 N -0.36 0.00 -2.17 1.39 -5.35 -1.26 -1.80 119.36 109.80 1qr5 n ILE 9 Ca 0.03 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.46 1qr5 n ILE 9 Cb 0.35 -0.16 -0.01 0.00 -1.74 0.00 0.00 39.64 38.09 1qr5 n ILE 9 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1qr5 n ASP 10 N -1.78 -2.02 -2.58 7.28 2.03 -1.25 -1.33 116.55 116.91 1qr5 n ASP 10 Ca 0.00 0.32 -0.12 0.00 0.52 0.00 0.00 54.79 55.50 1qr5 n ASP 10 Cb 0.08 -1.88 -0.02 0.00 -0.72 0.00 0.00 41.12 38.58 1qr5 n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1qr5 n GLU 11 N -2.33 -1.69 0.00 -0.67 -0.58 -1.26 -3.00 120.64 111.10 1qr5 n GLU 11 Ca -0.06 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1qr5 n GLU 11 Cb 0.46 -3.10 0.00 0.00 -0.57 0.00 0.00 31.44 28.23 1qr5 n GLU 11 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1qr5 n THR 12 N -2.20 0.00 0.00 2.62 -2.24 -0.82 -5.00 114.28 106.64 1qr5 n THR 12 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1qr5 n THR 12 Cb 0.32 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1qr5 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qr5 n GLY 13 N 0.00 2.67 3.27 3.38 0.00 -0.44 -4.69 105.19 109.38 1qr5 n GLY 13 Ca 0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 1qr5 n GLY 13 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qr5 s ILE 14 N 0.00 0.00 0.20 -0.61 -4.36 -1.26 -4.82 121.20 110.35 1qr5 s ILE 14 Ca 0.00 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 1qr5 s ILE 14 Cb 0.00 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.21 1qr5 s ILE 14 CO 0.00 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.18 1qr5 n HIS 15 N -0.43 -3.41 0.00 1.37 1.44 -1.26 -5.06 115.22 107.86 1qr5 n HIS 15 Ca 0.04 0.69 0.00 0.00 -2.01 0.00 0.00 57.72 56.44 1qr5 n HIS 15 Cb 0.64 2.01 0.00 0.00 0.12 0.00 0.00 29.99 32.76 1qr5 n HIS 15 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qr5 n ALA 16 N -3.18 0.00 0.11 1.59 0.00 -1.26 -4.96 120.51 112.82 1qr5 n ALA 16 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1qr5 n ALA 16 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1qr5 n ALA 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1qr5 h ARG 17 N 0.00 -0.35 -0.24 0.00 1.12 -1.99 -2.68 114.38 110.24 1qr5 h ARG 17 Ca 0.00 0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 58.83 1qr5 h ARG 17 Cb 0.00 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 1qr5 h ARG 17 CO 0.00 -0.04 -0.14 -1.00 -3.11 0.00 0.00 179.97 175.69 1qr5 h PRO 18 N -0.97 0.39 0.44 0.20 0.13 -1.94 -2.20 132.00 128.06 1qr5 h PRO 18 Ca -0.04 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 64.96 1qr5 h PRO 18 Cb 0.48 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.57 1qr5 h PRO 18 CO 0.06 0.53 -0.21 0.00 -0.23 0.00 0.00 178.00 178.15 1qr5 h ALA 19 N 1.50 -1.02 -0.42 -0.56 0.00 -1.80 -2.20 119.26 114.75 1qr5 h ALA 19 Ca 0.07 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.97 1qr5 h ALA 19 Cb 0.46 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1qr5 h ALA 19 CO 0.03 -0.98 0.33 1.79 0.00 0.00 0.00 179.25 180.42 1qr5 h THR 20 N -0.66 0.68 0.48 0.00 1.35 -1.52 -2.19 112.91 111.04 1qr5 h THR 20 Ca -0.06 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.78 1qr5 h THR 20 Cb 0.45 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1qr5 h THR 20 CO 0.10 0.00 -0.23 0.24 -0.25 0.00 0.00 175.52 175.38 1qr5 h MET 21 N 0.00 -0.62 -0.52 4.72 2.07 -1.27 -2.75 114.93 116.56 1qr5 h MET 21 Ca 0.20 0.04 0.03 0.00 -2.07 0.00 0.00 59.70 57.90 1qr5 h MET 21 Cb 0.85 0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 30.70 1qr5 h MET 21 CO -0.00 -0.34 0.35 -0.07 1.07 0.00 0.00 176.91 177.91 1qr5 h LEU 22 N -0.80 0.51 0.27 1.22 3.38 -0.80 -0.30 115.31 118.78 1qr5 h LEU 22 Ca -0.07 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1qr5 h LEU 22 Cb 0.56 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1qr5 h LEU 22 CO 0.11 0.35 -0.40 0.58 0.09 0.00 0.00 178.44 179.18 1qr5 h VAL 23 N 0.59 0.20 0.44 1.22 2.07 -1.26 0.19 116.25 119.70 1qr5 h VAL 23 Ca 0.21 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 1qr5 h VAL 23 Cb 0.10 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1qr5 h VAL 23 CO -0.05 0.00 -0.21 -0.61 0.02 0.00 0.00 177.57 176.72 1qr5 h GLN 24 N -0.73 -0.57 0.14 1.57 4.15 -1.17 0.11 115.11 118.62 1qr5 h GLN 24 Ca -0.01 0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.47 1qr5 h GLN 24 Cb 0.69 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.47 1qr5 h GLN 24 CO -0.14 -0.26 -0.42 1.79 -1.93 0.00 0.00 178.83 177.87 1qr5 h THR 25 N -0.87 0.16 -0.21 2.39 1.35 -1.05 0.56 112.91 115.24 1qr5 h THR 25 Ca -0.06 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1qr5 h THR 25 Cb 0.56 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.13 1qr5 h THR 25 CO 0.10 0.00 0.12 0.00 -0.25 0.00 0.00 175.52 175.49 1qr5 h ALA 26 N -0.19 0.27 -0.10 6.62 0.00 -0.72 -2.41 119.26 122.74 1qr5 h ALA 26 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qr5 h ALA 26 Cb 0.68 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1qr5 h ALA 26 CO -0.23 -0.21 0.05 0.77 0.00 0.00 0.00 179.25 179.63 1qr5 h SER 27 N 0.25 0.11 0.11 0.00 0.02 -0.67 0.29 113.55 113.67 1qr5 h SER 27 Ca 0.08 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1qr5 h SER 27 Cb 0.04 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1qr5 h SER 27 CO -0.01 0.09 -0.05 0.11 -1.14 0.00 0.00 176.83 175.83 1qr5 h LYS 28 N 0.13 -0.15 -0.54 3.45 1.57 0.61 -2.93 116.57 118.71 1qr5 h LYS 28 Ca 0.03 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1qr5 h LYS 28 Cb 0.01 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1qr5 h LYS 28 CO -0.01 0.06 0.07 0.74 -0.57 0.00 0.00 179.45 179.75 1qr5 h PHE 29 N -0.34 0.90 0.00 -1.35 0.04 -1.13 -3.47 116.94 111.60 1qr5 h PHE 29 Ca -0.02 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1qr5 h PHE 29 Cb 0.28 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.17 1qr5 h PHE 29 CO -0.01 0.79 0.00 -0.40 -0.60 0.00 0.00 178.31 178.09 1qr5 n ASP 30 N -4.24 0.00 -4.76 2.17 5.75 0.05 -4.37 116.55 111.15 1qr5 n ASP 30 Ca 0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.43 1qr5 n ASP 30 Cb 0.27 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.36 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 -2.31 5.92 -0.49 -1.12 1.04 -1.26 -4.95 113.70 110.53 1qr5 s SER 31 Ca 0.00 2.52 -0.29 0.00 0.48 0.00 0.00 55.95 58.66 1qr5 s SER 31 Cb 0.00 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.53 1qr5 s SER 31 CO 0.00 -1.11 1.21 -0.62 0.98 0.00 0.00 173.24 173.70 1qr5 s ASP 32 N -1.10 6.53 -0.24 7.02 -1.08 -1.26 -4.78 116.67 121.76 1qr5 s ASP 32 Ca 0.65 0.45 -0.11 0.00 -0.52 0.00 0.00 52.55 53.01 1qr5 s ASP 32 Cb -0.34 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.52 1qr5 s ASP 32 CO 0.42 -1.35 0.18 -0.63 0.52 0.00 0.00 175.17 174.31 1qr5 s ILE 33 N 4.78 5.35 -0.34 4.11 1.01 -1.25 -1.66 121.20 133.20 1qr5 s ILE 33 Ca 0.49 0.22 -0.11 0.00 0.00 0.00 0.00 60.65 61.26 1qr5 s ILE 33 Cb -0.08 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.87 1qr5 s ILE 33 CO 0.31 0.34 0.19 0.00 0.00 0.00 0.00 174.94 175.77 1qr5 s GLN 34 N 1.06 3.16 -0.35 2.79 -2.07 0.15 -2.51 119.66 121.89 1qr5 s GLN 34 Ca 0.08 -0.85 -0.12 0.00 -1.82 0.00 0.00 55.36 52.65 1qr5 s GLN 34 Cb -0.14 -3.66 -0.01 0.00 -1.09 0.00 0.00 33.01 28.12 1qr5 s GLN 34 CO 0.05 -0.53 0.23 -1.17 -1.32 0.00 0.00 175.29 172.54 1qr5 s LEU 35 N 1.61 4.54 0.65 2.60 0.20 0.26 -0.63 118.68 127.91 1qr5 s LEU 35 Ca 0.04 -0.57 -0.01 0.00 0.69 0.00 0.00 54.13 54.28 1qr5 s LEU 35 Cb -0.18 -2.10 0.08 0.00 -0.43 0.00 0.00 46.19 43.56 1qr5 s LEU 35 CO 0.07 -0.27 0.91 -0.70 -0.29 0.00 0.00 176.35 176.06 1qr5 s GLU 36 N 1.68 2.09 0.19 1.98 2.12 0.14 -2.37 118.70 124.52 1qr5 s GLU 36 Ca 0.05 -0.88 0.03 0.00 0.36 0.00 0.00 54.97 54.54 1qr5 s GLU 36 Cb -0.18 -2.38 -0.05 0.00 0.26 0.00 0.00 34.13 31.79 1qr5 s GLU 36 CO 0.09 -1.12 -0.03 -0.47 -0.54 0.00 0.00 175.26 173.19 1qr5 s TYR 37 N -3.00 1.37 0.10 5.30 5.04 -0.80 -2.39 117.35 122.97 1qr5 s TYR 37 Ca 0.62 -0.90 0.14 0.00 -2.44 0.00 0.00 57.07 54.49 1qr5 s TYR 37 Cb -0.08 -0.76 0.78 0.00 0.35 0.00 0.00 41.96 42.25 1qr5 s TYR 37 CO 0.42 -0.05 1.35 -0.97 -1.34 0.00 0.00 175.55 174.95 1qr5 h ASN 38 N 2.63 0.00 -0.17 4.32 -1.24 -1.66 -2.65 115.58 116.80 1qr5 h ASN 38 Ca -0.37 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 56.39 1qr5 h ASN 38 Cb 1.21 0.00 -0.19 0.00 0.73 0.00 0.00 38.32 40.07 1qr5 h ASN 38 CO 0.64 0.00 -0.49 0.61 -1.29 0.00 0.00 177.43 176.90 1qr5 n GLY 39 N -1.27 1.36 3.44 1.57 0.00 -1.26 -5.09 105.19 103.93 1qr5 n GLY 39 Ca -0.01 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.50 0.05 -3.65 1.61 4.81 -1.00 -5.14 118.16 114.34 1qr5 n LYS 40 Ca -0.01 -0.51 -0.03 0.00 -0.87 0.00 0.00 58.31 56.89 1qr5 n LYS 40 Cb 0.84 0.94 -0.06 0.00 0.02 0.00 0.00 35.03 36.77 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 -2.00 0.52 0.22 1.64 2.36 -1.26 -1.91 119.74 119.30 1qr5 s LYS 41 Ca 0.27 1.32 -0.03 0.00 -2.55 0.00 0.00 55.97 54.99 1qr5 s LYS 41 Cb -0.00 0.68 0.01 0.00 -1.05 0.00 0.00 37.83 37.47 1qr5 s LYS 41 CO -0.02 -0.21 0.33 1.33 1.55 0.00 0.00 175.35 178.34 1qr5 n VAL 42 N 5.34 0.00 -3.11 4.02 0.24 -1.00 -4.99 118.33 118.83 1qr5 n VAL 42 Ca -0.12 -0.95 -0.38 0.00 -2.04 0.00 0.00 64.34 60.85 1qr5 n VAL 42 Cb 0.50 0.64 -0.06 0.00 -1.47 0.00 0.00 33.84 33.45 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 -2.28 7.21 -0.54 -1.34 2.47 -1.26 -0.57 114.94 118.64 1qr5 s ASN 43 Ca 0.15 1.47 -0.04 0.00 0.42 0.00 0.00 52.86 54.86 1qr5 s ASN 43 Cb -0.01 -2.43 -0.07 0.00 -1.45 0.00 0.00 41.25 37.28 1qr5 s ASN 43 CO 0.11 0.20 1.97 -0.11 -3.72 0.00 0.00 177.10 175.55 1qr5 n LEU 44 N 1.47 3.70 0.00 3.21 7.94 -1.04 -4.38 117.00 127.89 1qr5 n LEU 44 Ca -0.07 -2.36 0.00 0.00 -1.11 0.00 0.00 56.01 52.48 1qr5 n LEU 44 Cb 0.50 -0.91 0.03 0.00 0.53 0.00 0.00 43.42 43.57 1qr5 n LEU 44 CO 0.44 0.42 0.35 1.17 -1.11 0.00 0.00 177.39 178.66 1qr5 n LYS 45 N 3.82 0.66 -3.32 1.96 3.00 -1.26 -4.87 118.16 118.14 1qr5 n LYS 45 Ca 0.33 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.46 1qr5 n LYS 45 Cb 0.22 -1.02 -0.03 0.00 0.00 0.00 0.00 35.03 34.19 1qr5 n LYS 45 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1qr5 n SER 46 N -0.52 -1.33 0.00 3.14 3.41 -1.26 -4.35 113.62 112.71 1qr5 n SER 46 Ca 0.01 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1qr5 n SER 46 Cb 0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 62.72 1qr5 n SER 46 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1qr5 n ILE 47 N -3.11 0.00 -0.14 -1.33 -0.00 -1.26 -4.55 119.36 108.97 1qr5 n ILE 47 Ca 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 62.77 1qr5 n ILE 47 Cb 0.47 0.00 0.17 0.00 -0.00 0.00 0.00 39.64 40.28 1qr5 n ILE 47 CO 0.00 0.00 0.00 -0.03 -0.00 0.00 0.00 176.55 176.52 1qr5 h MET 48 N 0.00 0.85 0.00 0.38 1.85 -1.95 -2.75 114.93 113.31 1qr5 h MET 48 Ca 0.00 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 58.91 1qr5 h MET 48 Cb 0.00 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 31.91 1qr5 h MET 48 CO 0.00 0.78 0.00 0.41 -0.40 0.00 0.00 176.91 177.70 1qr5 n GLY 49 N -0.82 -1.74 0.33 1.39 0.00 -1.26 -2.35 105.19 100.74 1qr5 n GLY 49 Ca 0.04 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.33 1qr5 n GLY 49 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1qr5 h VAL 50 N 0.00 0.00 -0.04 1.61 -1.51 -1.82 0.17 116.25 114.67 1qr5 h VAL 50 Ca 0.00 -0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.48 1qr5 h VAL 50 Cb 0.00 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.15 1qr5 h VAL 50 CO 0.00 0.00 -0.02 0.24 -1.23 0.00 0.00 177.57 176.56 1qr5 h MET 51 N 0.00 -0.01 0.04 5.19 2.86 -1.59 0.58 114.93 122.00 1qr5 h MET 51 Ca 0.77 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 58.43 1qr5 h MET 51 Cb 1.94 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.57 1qr5 h MET 51 CO -0.82 -0.01 -0.17 1.03 1.06 0.00 0.00 176.91 178.00 1qr5 h SER 52 N -0.01 -0.47 0.66 1.22 0.87 -0.27 -1.72 113.55 113.81 1qr5 h SER 52 Ca 0.02 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1qr5 h SER 52 Cb 0.05 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1qr5 h SER 52 CO -0.05 -0.23 0.00 0.17 -0.53 0.00 0.00 176.83 176.19 1qr5 h LEU 53 N -0.30 0.00 -2.45 2.23 8.10 -1.34 -3.48 115.31 118.08 1qr5 h LEU 53 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.03 1qr5 h LEU 53 Cb 0.34 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.50 1qr5 h LEU 53 CO -0.13 0.00 -0.73 0.61 -4.11 0.00 0.00 178.44 174.08 1qr5 n GLY 54 N -0.31 -4.10 3.22 0.17 0.00 0.18 -4.89 105.19 99.47 1qr5 n GLY 54 Ca 0.00 0.56 -0.43 0.00 0.00 0.00 0.00 46.02 46.14 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 0.82 4.38 -0.91 1.61 0.31 -1.21 -4.95 118.33 118.37 1qr5 n VAL 55 Ca -0.18 -4.74 0.00 0.00 -0.01 0.00 0.00 64.34 59.41 1qr5 n VAL 55 Cb 0.28 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 30.79 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 3.37 0.15 3.70 2.92 0.00 -1.26 -3.39 105.19 110.68 1qr5 n GLY 56 Ca 0.36 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 0.33 4.35 0.00 1.61 2.20 -1.26 -2.14 119.74 124.82 1qr5 s LYS 57 Ca 0.00 1.85 0.00 0.00 -0.36 0.00 0.00 55.97 57.46 1qr5 s LYS 57 Cb 0.00 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1qr5 s LYS 57 CO 0.00 -0.42 0.00 -0.25 -0.36 0.00 0.00 175.35 174.32 1qr5 n ASP 58 N 4.66 -2.65 -4.62 1.43 8.00 -0.85 -4.98 116.55 117.55 1qr5 n ASP 58 Ca 0.11 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.16 1qr5 n ASP 58 Cb 0.45 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 41.07 1qr5 n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qr5 n ALA 59 N 0.65 1.45 -2.70 2.24 0.00 -0.74 -4.70 120.51 116.71 1qr5 n ALA 59 Ca 0.00 0.03 -0.37 0.00 0.00 0.00 0.00 53.44 53.09 1qr5 n ALA 59 Cb 0.00 -2.72 -0.06 0.00 0.00 0.00 0.00 19.45 16.67 1qr5 n ALA 59 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1qr5 s GLU 60 N 5.28 3.69 0.21 0.00 2.12 -1.26 -2.48 118.70 126.26 1qr5 s GLU 60 Ca 0.97 0.12 -0.03 0.00 0.36 0.00 0.00 54.97 56.39 1qr5 s GLU 60 Cb -0.50 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1qr5 s GLU 60 CO 0.42 0.72 0.19 0.96 -0.54 0.00 0.00 175.26 177.01 1qr5 s ILE 61 N -1.00 0.00 -0.26 -3.70 -4.36 -0.93 -1.58 121.20 109.36 1qr5 s ILE 61 Ca 0.19 -1.91 -0.01 0.00 -0.26 0.00 0.00 60.65 58.66 1qr5 s ILE 61 Cb -0.14 -2.46 0.15 0.00 1.25 0.00 0.00 42.46 41.26 1qr5 s ILE 61 CO 0.08 0.00 0.41 -0.89 0.24 0.00 0.00 174.94 174.78 1qr5 s THR 62 N -4.13 -0.66 0.09 8.37 2.01 -1.01 -1.39 115.64 118.93 1qr5 s THR 62 Ca 0.36 -0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.16 1qr5 s THR 62 Cb 0.06 -0.89 -0.06 0.00 0.01 0.00 0.00 72.50 71.63 1qr5 s THR 62 CO 0.12 -0.15 0.38 -0.63 -0.69 0.00 0.00 174.62 173.64 1qr5 s ILE 63 N 2.58 5.14 -0.22 1.82 -1.09 0.05 0.25 121.20 129.74 1qr5 s ILE 63 Ca 0.13 0.29 -0.04 0.00 -2.23 0.00 0.00 60.65 58.80 1qr5 s ILE 63 Cb -0.14 -3.63 0.10 0.00 -1.58 0.00 0.00 42.46 37.21 1qr5 s ILE 63 CO -0.21 0.22 0.23 -0.31 -1.23 0.00 0.00 174.94 173.64 1qr5 s TYR 64 N -1.47 -0.30 -0.15 3.97 1.51 0.20 -0.46 117.35 120.65 1qr5 s TYR 64 Ca 0.35 0.18 -0.11 0.00 -1.01 0.00 0.00 57.07 56.48 1qr5 s TYR 64 Cb -0.13 -0.37 -0.05 0.00 -0.11 0.00 0.00 41.96 41.30 1qr5 s TYR 64 CO 0.20 -0.65 0.22 0.00 -1.11 0.00 0.00 175.55 174.21 1qr5 s ALA 65 N 2.33 3.70 -0.42 3.71 0.00 -0.81 0.31 121.76 130.59 1qr5 s ALA 65 Ca 0.07 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.53 1qr5 s ALA 65 Cb -0.16 -2.22 0.18 0.00 0.00 0.00 0.00 23.12 20.93 1qr5 s ALA 65 CO -0.15 0.28 0.38 -0.25 0.00 0.00 0.00 175.76 176.03 1qr5 n ASP 66 N 2.98 -0.17 0.00 0.00 9.92 -0.66 -0.60 116.55 128.02 1qr5 n ASP 66 Ca -0.15 -2.48 0.00 0.00 -0.53 0.00 0.00 54.79 51.63 1qr5 n ASP 66 Cb 0.53 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 1qr5 n ASP 66 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qr5 n GLY 67 N 2.53 -0.17 1.63 0.44 0.00 -1.26 -4.07 105.19 104.28 1qr5 n GLY 67 Ca 0.28 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1qr5 n GLY 67 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qr5 n SER 68 N -0.03 0.13 -1.97 1.61 3.41 -1.26 -4.87 113.62 110.65 1qr5 n SER 68 Ca 0.00 0.16 -0.18 0.00 -0.26 0.00 0.00 58.87 58.59 1qr5 n SER 68 Cb 0.00 0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.04 1qr5 n SER 68 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1qr5 n ASP 69 N -2.94 6.48 0.26 4.04 9.92 -1.26 -4.51 116.55 128.54 1qr5 n ASP 69 Ca 0.00 -3.09 0.13 0.00 -0.53 0.00 0.00 54.79 51.30 1qr5 n ASP 69 Cb 0.00 -1.08 0.70 0.00 -0.64 0.00 0.00 41.12 40.10 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 1.66 0.00 0.00 -1.24 4.11 -1.89 0.14 114.58 117.36 1qr5 h GLU 70 Ca 0.30 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.68 1qr5 h GLU 70 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1qr5 h GLU 70 CO 0.78 0.13 -0.34 0.00 0.07 0.00 0.00 179.01 179.65 1qr5 h ALA 71 N 1.87 0.06 -0.52 1.06 0.00 -1.91 -3.32 119.26 116.50 1qr5 h ALA 71 Ca -0.00 -0.55 0.09 0.00 0.00 0.00 0.00 54.91 54.44 1qr5 h ALA 71 Cb 0.39 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1qr5 h ALA 71 CO 0.02 0.21 0.35 0.22 0.00 0.00 0.00 179.25 180.05 1qr5 h ASP 72 N -1.00 0.30 -0.24 0.00 1.82 -1.90 -2.52 116.42 112.87 1qr5 h ASP 72 Ca -0.08 0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.62 1qr5 h ASP 72 Cb 0.80 -0.06 -0.08 0.00 0.68 0.00 0.00 39.33 40.68 1qr5 h ASP 72 CO -0.05 0.18 -0.40 0.00 -1.61 0.00 0.00 179.24 177.37 1qr5 h ALA 73 N 1.73 -0.47 -0.79 -0.78 0.00 -0.81 -2.36 119.26 115.78 1qr5 h ALA 73 Ca 0.24 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.29 1qr5 h ALA 73 Cb 0.50 0.79 -0.13 0.00 0.00 0.00 0.00 17.79 18.95 1qr5 h ALA 73 CO -0.06 -0.87 -0.42 0.82 0.00 0.00 0.00 179.25 178.72 1qr5 h ILE 74 N -0.40 0.06 0.12 0.00 1.08 -1.54 1.02 117.51 117.84 1qr5 h ILE 74 Ca 0.11 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.57 1qr5 h ILE 74 Cb 0.59 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 1qr5 h ILE 74 CO -0.46 0.00 -0.12 -0.61 -0.69 0.00 0.00 178.15 176.27 1qr5 h GLN 75 N -0.10 -0.23 -0.72 2.37 -0.00 -1.56 0.94 115.11 115.81 1qr5 h GLN 75 Ca 0.25 0.02 0.09 0.00 -0.00 0.00 0.00 58.65 59.00 1qr5 h GLN 75 Cb 0.56 0.05 -0.05 0.00 0.00 0.00 0.00 27.48 28.04 1qr5 h GLN 75 CO -0.83 -0.16 0.47 0.00 0.00 0.00 0.00 178.83 178.32 1qr5 h ALA 76 N -1.54 1.80 -0.64 3.38 0.00 -1.20 -0.85 119.26 120.21 1qr5 h ALA 76 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1qr5 h ALA 76 Cb 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1qr5 h ALA 76 CO -0.02 0.06 0.24 0.82 0.00 0.00 0.00 179.25 180.36 1qr5 h ILE 77 N 0.66 1.23 0.51 0.00 1.08 0.13 -2.58 117.51 118.55 1qr5 h ILE 77 Ca 0.33 -0.73 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 1qr5 h ILE 77 Cb 0.40 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 1qr5 h ILE 77 CO -0.11 0.29 -0.32 0.74 -0.69 0.00 0.00 178.15 178.05 1qr5 h THR 78 N 0.92 0.34 -0.97 -0.27 2.02 0.67 0.78 112.91 116.39 1qr5 h THR 78 Ca 0.22 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.68 1qr5 h THR 78 Cb 0.20 0.34 -0.14 0.00 -1.74 0.00 0.00 68.15 66.80 1qr5 h THR 78 CO -0.02 0.00 0.50 0.44 0.37 0.00 0.00 175.52 176.81 1qr5 h ASP 79 N -0.80 0.42 0.53 4.18 3.32 -1.26 2.20 116.42 125.01 1qr5 h ASP 79 Ca -0.06 0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1qr5 h ASP 79 Cb 0.65 0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.36 1qr5 h ASP 79 CO 0.06 -0.10 -0.25 0.58 -1.72 0.00 0.00 179.24 177.80 1qr5 h VAL 80 N 0.34 0.00 -0.38 -1.35 2.07 -0.95 -1.72 116.25 114.26 1qr5 h VAL 80 Ca 0.68 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 68.00 1qr5 h VAL 80 Cb 1.46 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1qr5 h VAL 80 CO -0.59 0.00 0.21 -0.07 0.02 0.00 0.00 177.57 177.13 1qr5 h LEU 81 N -0.89 0.45 -2.04 2.57 3.38 0.16 -0.63 115.31 118.31 1qr5 h LEU 81 Ca -0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1qr5 h LEU 81 Cb 0.54 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1qr5 h LEU 81 CO 0.12 0.37 -0.06 -1.28 0.09 0.00 0.00 178.44 177.68 1qr5 h SER 82 N 0.52 0.00 -0.07 -0.43 0.87 0.36 -1.69 113.55 113.11 1qr5 h SER 82 Ca 0.14 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1qr5 h SER 82 Cb 0.02 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1qr5 h SER 82 CO -0.02 0.06 0.05 0.50 -0.53 0.00 0.00 176.83 176.89 1qr5 h LYS 83 N 0.00 0.05 0.00 2.24 1.63 -0.14 0.06 116.57 120.41 1qr5 h LYS 83 Ca -0.00 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1qr5 h LYS 83 Cb 0.12 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1qr5 h LYS 83 CO 0.01 0.03 -0.13 1.05 -3.45 0.00 0.00 179.45 176.96 1qr5 h GLU 84 N 0.05 0.00 0.00 1.90 4.11 -1.42 -0.93 114.58 118.29 1qr5 h GLU 84 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1qr5 h GLU 84 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1qr5 h GLU 84 CO -0.00 0.13 0.00 0.41 0.07 0.00 0.00 179.01 179.62 1qr5 n GLY 85 N -0.88 -1.20 0.34 1.06 0.00 0.01 -2.81 105.19 101.70 1qr5 n GLY 85 Ca -0.02 0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.20 1qr5 n GLY 85 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1qr5 h LEU 86 N 0.00 0.00 0.00 0.99 8.10 -1.24 -3.38 115.31 119.78 1qr5 h LEU 86 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1qr5 h LEU 86 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.56 1qr5 h LEU 86 CO 0.00 0.00 0.00 0.35 -4.11 0.00 0.00 178.44 174.68 1qr5 n THR 87 N -4.01 0.00 0.00 0.15 -2.24 -1.12 -5.17 114.28 101.89 1qr5 n THR 87 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1qr5 n THR 87 Cb 0.36 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1qr5 n THR 87 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66