#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 3.45 0.09 3.17 0.41 -0.94 -4.98 118.70 119.90 1qr5 s GLU 2 Ca 0.00 -0.66 -0.25 0.00 -0.41 0.00 0.00 54.97 53.65 1qr5 s GLU 2 Cb 0.00 -2.86 0.07 0.00 -1.78 0.00 0.00 34.13 29.56 1qr5 s GLU 2 CO 0.00 0.40 0.61 1.14 -0.49 0.00 0.00 175.26 176.92 1qr5 s GLN 3 N -3.92 1.19 0.17 1.61 1.03 -1.26 -1.87 119.66 116.61 1qr5 s GLN 3 Ca 0.35 -0.25 -0.24 0.00 0.04 0.00 0.00 55.36 55.27 1qr5 s GLN 3 Cb -0.09 0.55 0.06 0.00 0.03 0.00 0.00 33.01 33.56 1qr5 s GLN 3 CO 0.30 -0.48 0.74 -0.65 -2.54 0.00 0.00 175.29 172.67 1qr5 s GLN 4 N -2.91 1.35 -0.19 9.60 -1.52 -0.22 -5.00 119.66 120.77 1qr5 s GLN 4 Ca -0.03 -0.63 -0.17 0.00 -1.95 0.00 0.00 55.36 52.58 1qr5 s GLN 4 Cb -0.01 0.53 0.05 0.00 -0.22 0.00 0.00 33.01 33.36 1qr5 s GLN 4 CO -0.05 -0.60 0.49 -1.54 -0.25 0.00 0.00 175.29 173.33 1qr5 s SER 5 N -2.79 -0.52 0.27 5.90 1.04 -1.26 -1.04 113.70 115.30 1qr5 s SER 5 Ca 0.07 0.99 0.02 0.00 0.48 0.00 0.00 55.95 57.51 1qr5 s SER 5 Cb -0.03 1.00 -0.01 0.00 0.10 0.00 0.00 66.02 67.09 1qr5 s SER 5 CO -0.04 -0.17 0.31 -1.22 0.98 0.00 0.00 173.24 173.10 1qr5 n TYR 6 N 2.89 -0.96 -3.55 5.02 4.02 -0.88 -5.00 117.16 118.71 1qr5 n TYR 6 Ca -0.14 -2.01 -0.07 0.00 -0.01 0.00 0.00 57.90 55.67 1qr5 n TYR 6 Cb 0.57 0.34 -0.08 0.00 -0.02 0.00 0.00 39.34 40.15 1qr5 n TYR 6 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1qr5 s THR 7 N -2.88 -0.70 0.35 -0.72 -1.32 -1.26 -1.67 115.64 107.45 1qr5 s THR 7 Ca 0.27 0.08 0.05 0.00 -1.21 0.00 0.00 61.69 60.88 1qr5 s THR 7 Cb 0.00 -0.76 -0.03 0.00 -1.51 0.00 0.00 72.50 70.21 1qr5 s THR 7 CO 0.19 0.01 0.19 -0.63 -2.21 0.00 0.00 174.62 172.17 1qr5 s ILE 8 N 2.64 0.31 -1.06 5.08 1.01 -1.01 -4.92 121.20 123.25 1qr5 s ILE 8 Ca 0.03 -2.00 0.12 0.00 0.00 0.00 0.00 60.65 58.80 1qr5 s ILE 8 Cb -0.13 -2.44 0.54 0.00 0.01 0.00 0.00 42.46 40.44 1qr5 s ILE 8 CO -0.15 0.00 1.39 2.30 0.00 0.00 0.00 174.94 178.48 1qr5 n ILE 9 N -0.73 1.47 -1.42 2.92 -5.35 -1.26 0.07 119.36 115.07 1qr5 n ILE 9 Ca 0.00 -0.88 -0.37 0.00 -0.27 0.00 0.00 62.75 61.24 1qr5 n ILE 9 Cb 0.64 -0.07 -0.07 0.00 -1.74 0.00 0.00 39.64 38.40 1qr5 n ILE 9 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1qr5 n ASP 10 N 0.68 2.49 0.28 7.28 5.75 -1.25 -4.38 116.55 127.40 1qr5 n ASP 10 Ca 0.19 -2.66 0.16 0.00 -0.01 0.00 0.00 54.79 52.47 1qr5 n ASP 10 Cb 0.74 -1.29 0.90 0.00 -1.03 0.00 0.00 41.12 40.44 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 8.94 0.00 0.10 0.11 4.81 -1.70 -1.34 114.58 125.49 1qr5 h GLU 11 Ca 0.31 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.29 1qr5 h GLU 11 Cb 0.78 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 1qr5 h GLU 11 CO 1.67 0.00 -1.18 1.15 -0.73 0.00 0.00 179.01 179.92 1qr5 h THR 12 N 0.00 1.56 -5.99 0.32 2.02 -1.80 -3.39 112.91 105.63 1qr5 h THR 12 Ca 0.02 -3.16 -0.19 0.00 0.77 0.00 0.00 66.41 63.84 1qr5 h THR 12 Cb 0.09 2.92 0.01 0.00 -1.74 0.00 0.00 68.15 69.43 1qr5 h THR 12 CO -0.00 0.92 -0.93 0.61 0.37 0.00 0.00 175.52 176.49 1qr5 n GLY 13 N 1.49 -0.66 0.88 2.16 0.00 -0.51 -4.74 105.19 103.80 1qr5 n GLY 13 Ca -0.06 1.07 0.00 0.00 0.00 0.00 0.00 46.02 47.03 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 -0.05 -3.87 0.00 -0.61 2.08 -1.26 -4.67 119.36 110.97 1qr5 n ILE 14 Ca 0.00 1.21 0.00 0.00 0.56 0.00 0.00 62.75 64.52 1qr5 n ILE 14 Cb 0.55 -2.36 0.00 0.00 -0.75 0.00 0.00 39.64 37.07 1qr5 n ILE 14 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1qr5 n HIS 15 N 0.12 0.00 -0.33 1.39 1.44 -1.26 -4.96 115.22 111.62 1qr5 n HIS 15 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1qr5 n HIS 15 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 -3.00 0.00 0.00 1.59 0.00 -1.26 -3.58 120.51 114.26 1qr5 n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qr5 n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1qr5 n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1qr5 n ARG 17 N -1.09 0.00 -0.34 0.00 0.63 -1.26 -0.42 116.66 114.17 1qr5 n ARG 17 Ca 0.00 0.00 0.16 0.00 -0.92 0.00 0.00 57.85 57.09 1qr5 n ARG 17 Cb 0.00 0.00 0.32 0.00 0.45 0.00 0.00 32.46 33.23 1qr5 n ARG 17 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1qr5 h PRO 18 N 0.00 0.01 0.50 -0.14 0.10 -1.92 -0.28 132.00 130.27 1qr5 h PRO 18 Ca 0.00 -0.00 -0.02 0.00 0.10 0.00 0.00 66.00 66.08 1qr5 h PRO 18 Cb 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.10 1qr5 h PRO 18 CO 0.00 0.01 -0.24 0.00 0.10 0.00 0.00 178.00 177.87 1qr5 h ALA 19 N 1.99 -0.67 -0.95 -0.75 0.00 -0.80 -2.64 119.26 115.44 1qr5 h ALA 19 Ca 0.62 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.58 1qr5 h ALA 19 Cb 1.32 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 1qr5 h ALA 19 CO -0.91 -0.77 0.64 1.15 0.00 0.00 0.00 179.25 179.36 1qr5 h THR 20 N -0.88 0.60 0.04 0.00 2.02 -1.33 -0.15 112.91 113.20 1qr5 h THR 20 Ca -0.07 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1qr5 h THR 20 Cb 0.59 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1qr5 h THR 20 CO 0.11 0.06 -0.02 0.24 0.37 0.00 0.00 175.52 176.28 1qr5 h MET 21 N 0.32 -0.05 -0.68 6.66 2.86 -0.92 -2.64 114.93 120.49 1qr5 h MET 21 Ca 0.50 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 58.21 1qr5 h MET 21 Cb 1.40 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.03 1qr5 h MET 21 CO -0.17 0.11 0.45 1.25 1.06 0.00 0.00 176.91 179.60 1qr5 h LEU 22 N -0.20 0.59 0.51 1.22 6.46 -0.69 0.61 115.31 123.81 1qr5 h LEU 22 Ca -0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1qr5 h LEU 22 Cb 0.18 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 1qr5 h LEU 22 CO 0.01 0.38 -0.47 0.58 -0.62 0.00 0.00 178.44 178.32 1qr5 h VAL 23 N 0.67 0.07 0.07 1.05 2.07 -1.02 0.48 116.25 119.63 1qr5 h VAL 23 Ca 0.29 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 1qr5 h VAL 23 Cb 0.30 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1qr5 h VAL 23 CO -0.09 0.00 -0.03 -0.61 0.02 0.00 0.00 177.57 176.85 1qr5 h GLN 24 N -0.97 -0.08 0.27 1.57 4.15 -1.17 0.84 115.11 119.71 1qr5 h GLN 24 Ca -0.06 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1qr5 h GLN 24 Cb 0.84 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.51 1qr5 h GLN 24 CO -0.04 0.22 -0.50 1.15 -1.93 0.00 0.00 178.83 177.73 1qr5 h THR 25 N -0.40 0.00 -0.35 2.39 2.02 0.26 0.82 112.91 117.66 1qr5 h THR 25 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1qr5 h THR 25 Cb 0.35 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 1qr5 h THR 25 CO 0.01 0.00 0.22 0.00 0.37 0.00 0.00 175.52 176.13 1qr5 h ALA 26 N -0.73 0.44 -0.05 6.16 0.00 -0.12 -1.90 119.26 123.07 1qr5 h ALA 26 Ca -0.03 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1qr5 h ALA 26 Cb 0.78 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1qr5 h ALA 26 CO -0.19 -0.08 0.04 1.03 0.00 0.00 0.00 179.25 180.05 1qr5 h SER 27 N 0.46 0.00 0.12 0.00 0.87 -0.50 0.52 113.55 115.02 1qr5 h SER 27 Ca 0.13 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1qr5 h SER 27 Cb -0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1qr5 h SER 27 CO -0.03 0.00 -0.06 0.11 -0.53 0.00 0.00 176.83 176.33 1qr5 h LYS 28 N 0.00 -0.15 -0.69 2.24 1.57 0.15 -2.96 116.57 116.72 1qr5 h LYS 28 Ca 0.02 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1qr5 h LYS 28 Cb 0.10 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1qr5 h LYS 28 CO -0.00 0.07 0.16 0.74 -0.57 0.00 0.00 179.45 179.85 1qr5 h PHE 29 N -0.36 1.17 0.00 -1.35 0.04 -1.13 -3.46 116.94 111.85 1qr5 h PHE 29 Ca -0.02 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1qr5 h PHE 29 Cb 0.29 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.11 1qr5 h PHE 29 CO -0.01 0.95 0.00 -0.40 -0.60 0.00 0.00 178.31 178.25 1qr5 n ASP 30 N -4.23 0.00 -4.77 2.17 5.75 0.12 -3.92 116.55 111.67 1qr5 n ASP 30 Ca 0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.45 1qr5 n ASP 30 Cb 0.26 -0.19 -0.01 0.00 -1.03 0.00 0.00 41.12 40.16 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 -2.53 6.22 -0.46 -1.12 1.04 -1.26 -4.95 113.70 110.64 1qr5 s SER 31 Ca 0.00 2.43 -0.29 0.00 0.48 0.00 0.00 55.95 58.57 1qr5 s SER 31 Cb 0.00 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.53 1qr5 s SER 31 CO 0.00 -0.89 1.22 -0.62 0.98 0.00 0.00 173.24 173.93 1qr5 s ASP 32 N -1.13 6.55 -0.27 7.02 -1.08 -0.69 -4.74 116.67 122.33 1qr5 s ASP 32 Ca 0.61 0.59 -0.10 0.00 -0.52 0.00 0.00 52.55 53.12 1qr5 s ASP 32 Cb -0.32 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.55 1qr5 s ASP 32 CO 0.40 -1.30 0.17 -0.63 0.52 0.00 0.00 175.17 174.32 1qr5 s ILE 33 N 4.74 5.10 -0.36 4.11 1.01 -1.25 -0.05 121.20 134.50 1qr5 s ILE 33 Ca 0.52 0.09 -0.13 0.00 0.00 0.00 0.00 60.65 61.13 1qr5 s ILE 33 Cb -0.09 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.95 1qr5 s ILE 33 CO 0.32 0.26 0.25 0.00 0.00 0.00 0.00 174.94 175.77 1qr5 s GLN 34 N 1.73 3.23 -0.26 2.79 0.00 0.19 -2.44 119.66 124.90 1qr5 s GLN 34 Ca 0.07 -0.82 -0.09 0.00 -0.00 0.00 0.00 55.36 54.52 1qr5 s GLN 34 Cb -0.16 -3.82 -0.04 0.00 0.00 0.00 0.00 33.01 28.99 1qr5 s GLN 34 CO 0.09 -0.57 0.12 -1.17 0.00 0.00 0.00 175.29 173.77 1qr5 s LEU 35 N 1.68 3.70 0.63 2.60 0.20 0.49 -0.26 118.68 127.72 1qr5 s LEU 35 Ca 0.05 -0.10 0.03 0.00 0.69 0.00 0.00 54.13 54.80 1qr5 s LEU 35 Cb -0.18 -2.01 0.09 0.00 -0.43 0.00 0.00 46.19 43.66 1qr5 s LEU 35 CO 0.09 -0.02 0.87 -1.61 -0.29 0.00 0.00 176.35 175.39 1qr5 s GLU 36 N 1.57 2.08 0.27 1.98 8.01 0.12 -2.57 118.70 130.17 1qr5 s GLU 36 Ca 0.06 -1.20 0.05 0.00 0.01 0.00 0.00 54.97 53.89 1qr5 s GLU 36 Cb -0.15 -2.47 -0.06 0.00 -4.31 0.00 0.00 34.13 27.14 1qr5 s GLU 36 CO 0.06 -1.07 -0.00 -0.47 0.01 0.00 0.00 175.26 173.79 1qr5 s TYR 37 N -2.89 1.81 0.65 1.61 5.04 -0.90 -2.50 117.35 120.16 1qr5 s TYR 37 Ca 0.63 -0.87 0.17 0.00 -2.44 0.00 0.00 57.07 54.57 1qr5 s TYR 37 Cb -0.07 -1.09 0.89 0.00 0.35 0.00 0.00 41.96 42.05 1qr5 s TYR 37 CO 0.41 0.07 1.49 -0.97 -1.34 0.00 0.00 175.55 175.21 1qr5 h ASN 38 N 2.30 0.00 -0.22 4.32 -0.73 -1.66 -2.57 115.58 117.03 1qr5 h ASN 38 Ca -0.40 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.52 1qr5 h ASN 38 Cb 1.23 0.00 -0.18 0.00 0.27 0.00 0.00 38.32 39.64 1qr5 h ASN 38 CO 0.67 0.00 -0.51 0.61 -0.37 0.00 0.00 177.43 177.83 1qr5 n GLY 39 N -1.41 1.17 3.88 1.57 0.00 -1.26 -5.09 105.19 104.05 1qr5 n GLY 39 Ca 0.02 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.04 0.23 -3.59 1.61 4.81 -0.97 -5.17 118.16 115.04 1qr5 n LYS 40 Ca 0.04 -0.84 -0.02 0.00 -0.87 0.00 0.00 58.31 56.63 1qr5 n LYS 40 Cb 0.76 1.33 -0.04 0.00 0.02 0.00 0.00 35.03 37.10 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 -2.02 0.54 0.14 1.64 2.36 -1.26 -2.13 119.74 119.02 1qr5 s LYS 41 Ca 0.29 1.35 -0.03 0.00 -2.55 0.00 0.00 55.97 55.03 1qr5 s LYS 41 Cb -0.01 0.76 0.01 0.00 -1.05 0.00 0.00 37.83 37.54 1qr5 s LYS 41 CO 0.00 -0.26 0.23 1.33 1.55 0.00 0.00 175.35 178.21 1qr5 n VAL 42 N 5.44 0.00 -3.14 4.02 0.24 -1.06 -4.98 118.33 118.84 1qr5 n VAL 42 Ca -0.10 -0.55 -0.36 0.00 -2.04 0.00 0.00 64.34 61.28 1qr5 n VAL 42 Cb 0.49 0.40 -0.06 0.00 -1.47 0.00 0.00 33.84 33.20 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 -1.81 7.03 -0.65 -1.34 2.47 -1.26 -0.38 114.94 119.00 1qr5 s ASN 43 Ca 0.09 1.37 -0.04 0.00 0.42 0.00 0.00 52.86 54.69 1qr5 s ASN 43 Cb -0.01 -2.40 -0.05 0.00 -1.45 0.00 0.00 41.25 37.34 1qr5 s ASN 43 CO 0.07 0.05 1.87 -0.11 -3.72 0.00 0.00 177.10 175.26 1qr5 n LEU 44 N 0.78 3.73 0.11 3.21 7.94 -1.02 -4.52 117.00 127.22 1qr5 n LEU 44 Ca -0.03 -2.41 -0.01 0.00 -1.11 0.00 0.00 56.01 52.45 1qr5 n LEU 44 Cb 0.51 -0.94 0.27 0.00 0.53 0.00 0.00 43.42 43.80 1qr5 n LEU 44 CO 0.43 0.24 0.71 0.50 -1.11 0.00 0.00 177.39 178.16 1qr5 h LYS 45 N 6.50 0.21 0.00 1.96 3.64 -1.91 -3.46 116.57 123.50 1qr5 h LYS 45 Ca 0.36 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1qr5 h LYS 45 Cb 0.17 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1qr5 h LYS 45 CO 1.26 0.54 0.00 0.43 -2.27 0.00 0.00 179.45 179.41 1qr5 n SER 46 N -4.09 0.00 0.09 4.20 7.64 -1.26 -4.46 113.62 115.74 1qr5 n SER 46 Ca -0.01 0.00 0.20 0.00 1.01 0.00 0.00 58.87 60.07 1qr5 n SER 46 Cb 0.42 0.00 0.75 0.00 -1.01 0.00 0.00 64.21 64.37 1qr5 n SER 46 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1qr5 h ILE 47 N 0.00 0.41 0.00 0.44 2.04 -1.96 -3.40 117.51 115.04 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 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 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 -3.78 0.00 -0.23 2.37 2.81 -1.26 -4.91 117.12 112.11 1qr5 n MET 48 Ca 0.07 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 56.00 1qr5 n MET 48 Cb 0.60 0.00 0.14 0.00 -0.71 0.00 0.00 33.22 33.25 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 0.80 1.24 3.03 0.00 -1.82 0.29 103.07 106.61 1qr5 h GLY 49 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 47.33 47.25 1qr5 h GLY 49 CO 0.00 -0.23 -0.38 -0.39 0.00 0.00 0.00 176.54 175.54 1qr5 h VAL 50 N 0.14 1.28 -0.31 4.60 -1.51 -1.80 -2.82 116.25 115.83 1qr5 h VAL 50 Ca 0.37 -1.55 0.01 0.00 -1.23 0.00 0.00 66.70 64.30 1qr5 h VAL 50 Cb 0.64 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 31.19 1qr5 h VAL 50 CO -0.58 0.51 0.19 0.24 -1.23 0.00 0.00 177.57 176.71 1qr5 h MET 51 N 0.69 0.38 -0.21 5.19 2.86 -1.21 -2.29 114.93 120.33 1qr5 h MET 51 Ca 0.06 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1qr5 h MET 51 Cb 0.94 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 1qr5 h MET 51 CO 0.09 0.25 0.09 0.66 1.06 0.00 0.00 176.91 179.06 1qr5 h SER 52 N 0.39 0.12 0.38 1.22 4.64 -0.49 -1.63 113.55 118.19 1qr5 h SER 52 Ca 0.12 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1qr5 h SER 52 Cb -0.02 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1qr5 h SER 52 CO -0.04 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1qr5 n LEU 53 N -5.02 0.15 -1.39 5.97 -0.00 -1.07 -4.97 117.00 110.67 1qr5 n LEU 53 Ca -0.03 0.54 0.00 0.00 -0.00 0.00 0.00 56.01 56.53 1qr5 n LEU 53 Cb 0.07 -0.54 0.00 0.00 -0.00 0.00 0.00 43.42 42.95 1qr5 n LEU 53 CO 0.31 -0.41 -0.24 0.61 -0.00 0.00 0.00 177.39 177.66 1qr5 n GLY 54 N -0.45 -4.46 2.42 1.47 0.00 -0.61 -4.96 105.19 98.59 1qr5 n GLY 54 Ca 0.02 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 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 0.94 2.35 -0.68 1.61 0.31 -1.26 -4.97 118.33 116.63 1qr5 n VAL 55 Ca 0.00 -5.22 0.00 0.00 -0.01 0.00 0.00 64.34 59.11 1qr5 n VAL 55 Cb 0.00 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 30.83 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 0.85 -1.12 3.74 2.92 0.00 -1.26 -3.55 105.19 106.76 1qr5 n GLY 56 Ca 0.30 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.11 4.46 -0.11 1.61 2.20 -1.26 -2.28 119.74 122.25 1qr5 s LYS 57 Ca 0.00 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 1qr5 s LYS 57 Cb 0.00 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1qr5 s LYS 57 CO 0.00 -0.14 0.00 -0.25 -0.36 0.00 0.00 175.35 174.60 1qr5 n ASP 58 N 2.57 -3.49 -4.73 1.43 9.92 0.11 -4.95 116.55 117.41 1qr5 n ASP 58 Ca 0.05 0.02 -0.42 0.00 -0.53 0.00 0.00 54.79 53.92 1qr5 n ASP 58 Cb 0.44 -1.08 -0.02 0.00 -0.64 0.00 0.00 41.12 39.82 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 -1.91 3.86 -0.02 2.24 0.00 -0.87 -4.58 121.76 120.47 1qr5 s ALA 59 Ca 0.00 1.56 -0.02 0.00 0.00 0.00 0.00 51.96 53.51 1qr5 s ALA 59 Cb 0.00 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1qr5 s ALA 59 CO 0.00 -0.93 0.10 -1.83 0.00 0.00 0.00 175.76 173.10 1qr5 s GLU 60 N 0.55 3.17 0.21 0.00 4.04 -1.26 -2.39 118.70 123.03 1qr5 s GLU 60 Ca 0.70 -0.42 -0.08 0.00 0.04 0.00 0.00 54.97 55.22 1qr5 s GLU 60 Cb -0.48 -2.93 -0.02 0.00 0.02 0.00 0.00 34.13 30.71 1qr5 s GLU 60 CO 0.38 0.67 0.32 0.96 -1.84 0.00 0.00 175.26 175.74 1qr5 s ILE 61 N -1.19 0.01 -0.26 1.83 -4.36 -0.67 -1.55 121.20 115.01 1qr5 s ILE 61 Ca 0.23 -1.62 -0.01 0.00 -0.26 0.00 0.00 60.65 58.99 1qr5 s ILE 61 Cb -0.12 -2.24 0.15 0.00 1.25 0.00 0.00 42.46 41.49 1qr5 s ILE 61 CO 0.14 -0.06 0.41 -0.89 0.24 0.00 0.00 174.94 174.78 1qr5 s THR 62 N -4.06 -0.65 0.08 8.37 2.01 -1.04 -2.08 115.64 118.27 1qr5 s THR 62 Ca 0.27 -0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.11 1qr5 s THR 62 Cb 0.03 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 1qr5 s THR 62 CO 0.08 -0.15 0.31 -0.63 -0.69 0.00 0.00 174.62 173.55 1qr5 s ILE 63 N 2.58 5.25 -0.12 1.82 1.09 -0.21 0.16 121.20 131.78 1qr5 s ILE 63 Ca 0.13 0.01 -0.03 0.00 -1.10 0.00 0.00 60.65 59.66 1qr5 s ILE 63 Cb -0.15 -3.61 0.04 0.00 -1.06 0.00 0.00 42.46 37.69 1qr5 s ILE 63 CO -0.20 0.17 0.05 -0.31 -0.10 0.00 0.00 174.94 174.56 1qr5 s TYR 64 N -1.50 0.38 -0.13 3.97 1.51 0.64 -1.06 117.35 121.16 1qr5 s TYR 64 Ca 0.35 -0.20 -0.16 0.00 -1.01 0.00 0.00 57.07 56.05 1qr5 s TYR 64 Cb -0.13 -0.70 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 1qr5 s TYR 64 CO 0.22 -0.40 0.41 0.00 -1.11 0.00 0.00 175.55 174.68 1qr5 s ALA 65 N 2.07 3.53 -0.35 3.71 0.00 -0.78 0.56 121.76 130.49 1qr5 s ALA 65 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1qr5 s ALA 65 Cb -0.14 -2.54 0.11 0.00 0.00 0.00 0.00 23.12 20.55 1qr5 s ALA 65 CO -0.06 0.06 0.14 -0.51 0.00 0.00 0.00 175.76 175.39 1qr5 s ASP 66 N 0.48 3.89 0.00 0.00 1.11 0.92 -2.21 116.67 120.86 1qr5 s ASP 66 Ca 0.22 -1.95 0.00 0.00 0.18 0.00 0.00 52.55 51.00 1qr5 s ASP 66 Cb -0.14 -0.90 0.00 0.00 1.07 0.00 0.00 42.92 42.94 1qr5 s ASP 66 CO 0.08 -0.37 0.00 0.61 1.18 0.00 0.00 175.17 176.67 1qr5 n GLY 67 N 4.43 -0.65 0.17 0.21 0.00 -1.26 -1.70 105.19 106.39 1qr5 n GLY 67 Ca 0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.29 -0.65 1.61 4.64 -1.93 -3.32 113.55 113.61 1qr5 h SER 68 Ca 0.00 0.01 -0.41 0.00 -0.47 0.00 0.00 61.79 60.92 1qr5 h SER 68 Cb 0.00 0.08 -0.17 0.00 -0.31 0.00 0.00 62.40 62.00 1qr5 h SER 68 CO 0.00 0.13 0.50 0.47 -0.87 0.00 0.00 176.83 177.06 1qr5 n ASP 69 N -4.82 6.70 0.21 4.97 8.00 -1.25 -4.53 116.55 125.83 1qr5 n ASP 69 Ca -0.04 -3.21 0.06 0.00 0.71 0.00 0.00 54.79 52.30 1qr5 n ASP 69 Cb 0.14 -1.06 0.48 0.00 -0.02 0.00 0.00 41.12 40.65 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 1.75 0.00 0.11 -1.24 4.11 -1.88 -1.58 114.58 115.86 1qr5 h GLU 70 Ca 0.36 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.52 1qr5 h GLU 70 Cb 0.86 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1qr5 h GLU 70 CO 0.92 0.26 -1.36 0.00 0.07 0.00 0.00 179.01 178.91 1qr5 h ALA 71 N 1.74 0.17 -0.94 1.06 0.00 -1.89 -3.24 119.26 116.15 1qr5 h ALA 71 Ca -0.00 -1.06 0.13 0.00 0.00 0.00 0.00 54.91 53.97 1qr5 h ALA 71 Cb 0.51 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 1qr5 h ALA 71 CO 0.03 0.79 0.57 0.22 0.00 0.00 0.00 179.25 180.86 1qr5 h ASP 72 N -0.34 0.80 0.06 0.00 1.82 -1.88 -1.26 116.42 115.63 1qr5 h ASP 72 Ca -0.29 0.06 0.02 0.00 -0.39 0.00 0.00 57.03 56.43 1qr5 h ASP 72 Cb 1.73 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 41.61 1qr5 h ASP 72 CO 0.05 0.40 -0.26 0.00 -1.61 0.00 0.00 179.24 177.82 1qr5 h ALA 73 N 1.54 -0.41 -0.53 -0.78 0.00 -1.40 -1.73 119.26 115.96 1qr5 h ALA 73 Ca 0.48 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.48 1qr5 h ALA 73 Cb 0.55 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 1qr5 h ALA 73 CO -0.29 -0.78 -0.12 0.82 0.00 0.00 0.00 179.25 178.87 1qr5 h ILE 74 N -0.44 0.48 0.05 0.00 1.08 -1.27 0.49 117.51 117.89 1qr5 h ILE 74 Ca 0.05 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1qr5 h ILE 74 Cb 0.49 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.71 1qr5 h ILE 74 CO -0.19 0.00 -0.05 1.56 -0.69 0.00 0.00 178.15 178.78 1qr5 h GLN 75 N 0.01 -0.09 -0.90 2.37 4.20 -0.87 0.11 115.11 119.93 1qr5 h GLN 75 Ca 0.26 0.01 0.11 0.00 0.06 0.00 0.00 58.65 59.08 1qr5 h GLN 75 Cb 0.39 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.12 1qr5 h GLN 75 CO -0.53 -0.06 0.58 0.00 -0.67 0.00 0.00 178.83 178.14 1qr5 h ALA 76 N -1.66 1.66 -0.71 3.87 0.00 -1.21 -0.61 119.26 120.59 1qr5 h ALA 76 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1qr5 h ALA 76 Cb 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1qr5 h ALA 76 CO -0.01 0.15 0.39 0.82 0.00 0.00 0.00 179.25 180.60 1qr5 h ILE 77 N 0.86 1.21 0.69 0.00 1.08 0.14 -2.78 117.51 118.72 1qr5 h ILE 77 Ca 0.42 -0.53 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 1qr5 h ILE 77 Cb 0.46 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.46 1qr5 h ILE 77 CO -0.19 0.24 -0.40 0.74 -0.69 0.00 0.00 178.15 177.85 1qr5 h THR 78 N 0.99 0.00 -0.98 -0.27 2.02 0.83 -0.78 112.91 114.73 1qr5 h THR 78 Ca 0.25 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.76 1qr5 h THR 78 Cb 0.02 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.25 1qr5 h THR 78 CO -0.04 0.00 0.23 0.47 0.37 0.00 0.00 175.52 176.55 1qr5 n ASP 79 N -4.92 0.07 0.23 4.18 8.00 -1.06 0.29 116.55 123.35 1qr5 n ASP 79 Ca -0.12 1.65 -0.09 0.00 0.71 0.00 0.00 54.79 56.93 1qr5 n ASP 79 Cb 0.41 -0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 40.79 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 0.00 2.53 2.07 -1.18 -2.54 116.25 117.13 1qr5 h VAL 80 Ca 0.69 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 68.10 1qr5 h VAL 80 Cb 1.63 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1qr5 h VAL 80 CO -0.85 0.00 -0.05 -0.07 0.02 0.00 0.00 177.57 176.62 1qr5 h LEU 81 N -0.70 0.00 -1.74 2.57 3.38 0.42 -0.86 115.31 118.37 1qr5 h LEU 81 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1qr5 h LEU 81 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1qr5 h LEU 81 CO 0.10 0.05 -0.00 -1.28 0.09 0.00 0.00 178.44 177.40 1qr5 h SER 82 N 0.00 0.14 0.00 -0.43 0.87 0.44 -2.42 113.55 112.14 1qr5 h SER 82 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1qr5 h SER 82 Cb 0.16 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1qr5 h SER 82 CO 0.01 0.17 0.00 0.29 -0.53 0.00 0.00 176.83 176.77 1qr5 n LYS 83 N -4.44 0.00 -1.66 2.24 5.02 -0.33 -4.80 118.16 114.20 1qr5 n LYS 83 Ca -0.01 0.58 -0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1qr5 n LYS 83 Cb 0.14 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.69 1qr5 n LYS 83 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1qr5 n GLU 84 N -2.14 0.21 -2.14 1.97 0.28 -1.17 -4.96 120.64 112.68 1qr5 n GLU 84 Ca 0.00 -0.18 -0.09 0.00 -0.16 0.00 0.00 57.16 56.73 1qr5 n GLU 84 Cb 0.00 0.07 -0.01 0.00 1.43 0.00 0.00 31.44 32.94 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 -0.23 0.04 2.29 -1.84 0.00 -0.92 -3.44 105.19 101.08 1qr5 n GLY 85 Ca -0.03 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.25 -3.26 -1.32 0.99 4.32 -1.26 -4.60 117.00 110.62 1qr5 n LEU 86 Ca -0.10 -0.33 0.00 0.00 -0.02 0.00 0.00 56.01 55.55 1qr5 n LEU 86 Cb 0.57 -1.87 0.00 0.00 -1.62 0.00 0.00 43.42 40.50 1qr5 n LEU 86 CO 0.12 0.16 -0.37 0.35 -1.22 0.00 0.00 177.39 176.43 1qr5 n THR 87 N -2.56 -4.58 0.99 -5.08 -2.24 -1.22 -4.71 114.28 94.88 1qr5 n THR 87 Ca -0.12 1.99 0.08 0.00 -2.27 0.00 0.00 64.05 63.73 1qr5 n THR 87 Cb 0.58 -2.75 0.47 0.00 -2.10 0.00 0.00 70.33 66.53 1qr5 n THR 87 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66