#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qp0 n ILE 3 N 0.00 1.19 0.00 -1.44 -0.00 -1.26 -4.67 119.36 113.18 2qp0 n ILE 3 Ca 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 62.75 61.63 2qp0 n ILE 3 Cb 0.00 -2.17 0.00 0.00 -0.00 0.00 0.00 39.64 37.47 2qp0 n ILE 3 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 2qp0 n LYS 4 N 7.71 0.00 0.15 0.38 0.00 -1.26 -5.00 118.16 120.14 2qp0 n LYS 4 Ca 0.47 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.84 2qp0 n LYS 4 Cb 0.43 0.00 0.33 0.00 0.00 0.00 0.00 35.03 35.79 2qp0 n LYS 4 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2qp0 n SER 5 N 0.00 0.32 0.00 3.14 3.41 -1.26 -1.46 113.62 117.76 2qp0 n SER 5 Ca 0.00 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 2qp0 n SER 5 Cb 0.00 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 2qp0 n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qp0 n ALA 6 N -1.55 1.00 -0.34 7.33 0.00 -1.26 -2.61 120.51 123.07 2qp0 n ALA 6 Ca -0.01 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.67 2qp0 n ALA 6 Cb 0.30 -0.90 0.47 0.00 0.00 0.00 0.00 19.45 19.31 2qp0 n ALA 6 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qp0 h LYS 7 N 0.00 0.34 -0.10 0.00 3.64 -1.56 0.11 116.57 119.01 2qp0 h LYS 7 Ca 0.00 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2qp0 h LYS 7 Cb 0.08 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 2qp0 h LYS 7 CO 0.00 0.23 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.05 2qp0 h LYS 8 N 0.35 -0.17 -0.81 1.90 3.64 -1.81 -2.21 116.57 117.47 2qp0 h LYS 8 Ca 0.72 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 60.31 2qp0 h LYS 8 Cb 1.64 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 33.35 2qp0 h LYS 8 CO -0.58 -0.11 0.01 -0.09 -2.27 0.00 0.00 179.45 176.41 2qp0 h ARG 9 N -0.18 0.09 -0.64 1.90 9.65 -1.04 0.87 114.38 125.02 2qp0 h ARG 9 Ca 0.08 -0.01 0.08 0.00 -1.10 0.00 0.00 59.98 59.03 2qp0 h ARG 9 Cb 0.29 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.78 2qp0 h ARG 9 CO -0.20 0.06 0.31 0.00 2.80 0.00 0.00 179.97 182.93 2qp0 h ALA 10 N 1.77 0.86 -0.14 2.80 0.00 -1.36 0.18 119.26 123.37 2qp0 h ALA 10 Ca 0.45 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.24 2qp0 h ALA 10 Cb 0.83 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2qp0 h ALA 10 CO -0.72 -0.08 -0.60 0.82 0.00 0.00 0.00 179.25 178.67 2qp0 h ILE 11 N 0.55 1.32 0.23 0.00 2.04 -0.26 -2.52 117.51 118.86 2qp0 h ILE 11 Ca 0.31 -1.86 0.01 0.00 1.00 0.00 0.00 64.86 64.32 2qp0 h ILE 11 Cb 0.30 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 2qp0 h ILE 11 CO -0.25 0.57 -0.28 -0.61 0.00 0.00 0.00 178.15 177.59 2qp0 h GLN 12 N 0.33 -0.54 -0.15 2.37 4.15 0.13 -1.90 115.11 119.50 2qp0 h GLN 12 Ca -0.03 0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 2qp0 h GLN 12 Cb 1.23 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.03 2qp0 h GLN 12 CO 0.13 -0.36 -0.18 0.66 -1.93 0.00 0.00 178.83 177.14 2qp0 h SER 13 N -0.56 0.24 0.63 -0.69 4.64 -0.76 -2.91 113.55 114.14 2qp0 h SER 13 Ca 0.00 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 2qp0 h SER 13 Cb 0.53 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2qp0 h SER 13 CO -0.09 0.45 -0.46 -0.08 -0.87 0.00 0.00 176.83 175.77 2qp0 h GLU 14 N 0.24 -1.01 -0.88 4.77 4.22 -0.95 -1.43 114.58 119.54 2qp0 h GLU 14 Ca 0.04 0.07 0.14 0.00 0.08 0.00 0.00 59.36 59.70 2qp0 h GLU 14 Cb 0.47 0.23 -0.09 0.00 0.50 0.00 0.00 28.75 29.85 2qp0 h GLU 14 CO 0.03 -0.67 0.48 0.87 -2.18 0.00 0.00 179.01 177.53 2qp0 h LYS 15 N -1.05 0.67 -0.78 1.92 1.79 -1.30 -0.45 116.57 117.37 2qp0 h LYS 15 Ca -0.08 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.42 2qp0 h LYS 15 Cb 0.87 -0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 31.31 2qp0 h LYS 15 CO 0.03 0.44 0.47 0.00 -1.08 0.00 0.00 179.45 179.31 2qp0 h ALA 16 N 1.56 1.07 -0.08 3.86 0.00 -1.26 -2.65 119.26 121.75 2qp0 h ALA 16 Ca 0.47 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.43 2qp0 h ALA 16 Cb 0.64 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2qp0 h ALA 16 CO -0.34 0.17 -0.23 -0.09 0.00 0.00 0.00 179.25 178.76 2qp0 h ARG 17 N 0.85 -0.30 -0.64 0.00 1.12 0.01 0.36 114.38 115.78 2qp0 h ARG 17 Ca 0.35 0.02 0.12 0.00 -1.11 0.00 0.00 59.98 59.36 2qp0 h ARG 17 Cb 0.19 0.07 -0.09 0.00 -0.01 0.00 0.00 29.97 30.13 2qp0 h ARG 17 CO -0.18 -0.20 0.15 0.87 -3.11 0.00 0.00 179.97 177.49 2qp0 h LYS 18 N -0.31 0.26 -0.03 0.20 1.57 -1.35 0.33 116.57 117.24 2qp0 h LYS 18 Ca 0.09 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2qp0 h LYS 18 Cb 0.44 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 2qp0 h LYS 18 CO -0.26 0.17 0.01 1.25 -0.57 0.00 0.00 179.45 180.05 2qp0 h HIS 19 N 0.27 0.04 -0.09 -1.35 2.76 -1.12 -3.07 115.15 112.60 2qp0 h HIS 19 Ca 0.34 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.54 2qp0 h HIS 19 Cb 0.52 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.42 2qp0 h HIS 19 CO -0.25 0.20 -0.18 -0.91 -1.30 0.00 0.00 177.93 175.49 2qp0 h ASN 20 N -0.13 -0.55 -0.82 3.26 2.35 0.84 -2.69 115.58 117.85 2qp0 h ASN 20 Ca 0.01 0.09 0.15 0.00 -0.55 0.00 0.00 56.30 56.00 2qp0 h ASN 20 Cb 0.18 0.25 -0.15 0.00 0.05 0.00 0.00 38.32 38.65 2qp0 h ASN 20 CO -0.00 -0.23 -0.30 0.00 -1.65 0.00 0.00 177.43 175.25 2qp0 h ALA 21 N 0.75 0.26 -0.17 -0.83 0.00 -0.34 0.36 119.26 119.29 2qp0 h ALA 21 Ca 0.09 0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.30 2qp0 h ALA 21 Cb 0.37 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2qp0 h ALA 21 CO -0.24 -0.55 -0.08 0.66 0.00 0.00 0.00 179.25 179.04 2qp0 h SER 22 N -0.05 -0.27 -0.28 0.00 4.64 -1.39 0.16 113.55 116.36 2qp0 h SER 22 Ca 0.34 0.07 0.07 0.00 -0.47 0.00 0.00 61.79 61.79 2qp0 h SER 22 Cb 0.59 0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 62.76 2qp0 h SER 22 CO -0.85 -0.11 -0.28 0.03 -0.87 0.00 0.00 176.83 174.75 2qp0 h ARG 23 N -0.06 -0.26 -0.04 4.77 2.47 -0.75 0.36 114.38 120.87 2qp0 h ARG 23 Ca 0.09 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.85 2qp0 h ARG 23 Cb 0.20 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 2qp0 h ARG 23 CO -0.21 -0.18 -0.06 0.00 0.56 0.00 0.00 179.97 180.08 2qp0 h ARG 24 N -0.27 -0.08 0.03 0.04 3.08 -0.92 -0.92 114.38 115.34 2qp0 h ARG 24 Ca 0.14 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.22 2qp0 h ARG 24 Cb 0.50 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 2qp0 h ARG 24 CO -0.44 -0.06 -0.54 0.77 -1.07 0.00 0.00 179.97 178.64 2qp0 h SER 25 N -0.09 -1.64 0.06 7.04 0.02 -0.19 0.51 113.55 119.26 2qp0 h SER 25 Ca 0.04 0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 2qp0 h SER 25 Cb 0.14 0.62 -0.05 0.00 0.14 0.00 0.00 62.40 63.25 2qp0 h SER 25 CO -0.10 -0.53 -0.36 -0.03 -1.14 0.00 0.00 176.83 174.67 2qp0 h MET 26 N -0.69 -0.53 0.04 3.45 1.85 -0.85 0.20 114.93 118.40 2qp0 h MET 26 Ca 0.01 0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.16 2qp0 h MET 26 Cb 0.73 0.12 -0.05 0.00 0.43 0.00 0.00 31.60 32.84 2qp0 h MET 26 CO -0.34 -0.35 -0.32 1.98 -0.40 0.00 0.00 176.91 177.48 2qp0 h MET 27 N -0.55 -0.47 -0.08 0.39 -1.53 -0.87 -1.94 114.93 109.87 2qp0 h MET 27 Ca 0.04 0.03 0.04 0.00 -3.44 0.00 0.00 59.70 56.38 2qp0 h MET 27 Cb 0.61 0.11 -0.05 0.00 -0.55 0.00 0.00 31.60 31.71 2qp0 h MET 27 CO -0.25 -0.32 -0.25 0.00 0.14 0.00 0.00 176.91 176.23 2qp0 h ARG 28 N -0.49 -0.33 -0.48 0.39 3.08 0.33 -2.75 114.38 114.13 2qp0 h ARG 28 Ca 0.05 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.22 2qp0 h ARG 28 Cb 0.56 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.60 2qp0 h ARG 28 CO -0.24 -0.22 -0.01 1.79 -1.07 0.00 0.00 179.97 180.22 2qp0 h THR 29 N -0.34 0.61 -0.97 2.04 1.35 -0.36 -1.42 112.91 113.82 2qp0 h THR 29 Ca 0.09 -0.03 0.08 0.00 -0.55 0.00 0.00 66.41 65.99 2qp0 h THR 29 Cb 0.47 0.50 -0.07 0.00 -1.73 0.00 0.00 68.15 67.33 2qp0 h THR 29 CO -0.28 0.02 0.63 -0.26 -0.25 0.00 0.00 175.52 175.37 2qp0 h PHE 30 N 0.10 1.13 -0.70 4.73 -1.00 -1.13 -2.09 116.94 117.98 2qp0 h PHE 30 Ca 0.24 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 61.03 2qp0 h PHE 30 Cb 0.36 -0.37 -0.03 0.00 3.61 0.00 0.00 35.95 39.52 2qp0 h PHE 30 CO -0.32 0.56 0.37 0.82 -1.61 0.00 0.00 178.31 178.13 2qp0 h ILE 31 N 1.09 1.22 -0.95 -0.55 2.04 -0.99 -2.85 117.51 116.52 2qp0 h ILE 31 Ca 0.43 -0.59 0.16 0.00 1.00 0.00 0.00 64.86 65.86 2qp0 h ILE 31 Cb 0.24 0.32 -0.10 0.00 -0.74 0.00 0.00 36.82 36.55 2qp0 h ILE 31 CO -0.18 0.25 0.55 0.11 0.00 0.00 0.00 178.15 178.88 2qp0 h LYS 32 N 0.97 0.73 -0.94 2.37 1.57 -0.87 0.70 116.57 121.11 2qp0 h LYS 32 Ca 0.25 -0.04 0.21 0.00 -1.87 0.00 0.00 60.65 59.19 2qp0 h LYS 32 Cb 0.07 -0.17 -0.08 0.00 0.08 0.00 0.00 32.23 32.14 2qp0 h LYS 32 CO -0.04 0.49 0.61 0.87 -0.57 0.00 0.00 179.45 180.81 2qp0 h LYS 33 N 0.76 0.47 0.18 3.15 1.57 -1.47 0.13 116.57 121.35 2qp0 h LYS 33 Ca 0.52 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.26 2qp0 h LYS 33 Cb 0.73 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2qp0 h LYS 33 CO -0.35 0.31 -0.09 0.28 -0.57 0.00 0.00 179.45 179.03 2qp0 h VAL 34 N 0.49 0.82 0.04 0.50 2.07 -0.97 0.87 116.25 120.07 2qp0 h VAL 34 Ca 0.51 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 68.03 2qp0 h VAL 34 Cb 1.15 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 2qp0 h VAL 34 CO -0.23 0.00 -0.23 0.22 0.02 0.00 0.00 177.57 177.35 2qp0 h TYR 35 N -0.26 -0.62 -0.32 1.57 3.20 -0.80 0.18 116.97 119.91 2qp0 h TYR 35 Ca -0.03 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.93 2qp0 h TYR 35 Cb 0.20 0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 2qp0 h TYR 35 CO -0.06 -0.33 -0.07 0.00 -1.64 0.00 0.00 178.16 176.06 2qp0 h ALA 36 N 0.43 0.23 -0.67 1.82 0.00 -0.94 0.59 119.26 120.72 2qp0 h ALA 36 Ca 0.05 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2qp0 h ALA 36 Cb 0.45 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2qp0 h ALA 36 CO -0.18 -0.45 0.43 0.00 0.00 0.00 0.00 179.25 179.04 2qp0 h ALA 37 N 1.32 0.86 0.28 0.00 0.00 -0.43 -1.92 119.26 119.37 2qp0 h ALA 37 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2qp0 h ALA 37 Cb 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qp0 h ALA 37 CO -0.32 0.23 -0.13 0.82 0.00 0.00 0.00 179.25 179.84 2qp0 h ILE 38 N 0.86 0.73 0.00 0.00 1.08 0.30 -2.04 117.51 118.44 2qp0 h ILE 38 Ca 0.26 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.72 2qp0 h ILE 38 Cb -0.04 0.73 -0.00 0.00 -3.07 0.00 0.00 36.82 34.45 2qp0 h ILE 38 CO -0.08 0.00 -0.00 -0.08 -0.69 0.00 0.00 178.15 177.30 2qp0 h GLU 39 N -0.38 0.00 -0.42 2.37 4.81 -0.73 0.12 114.58 120.36 2qp0 h GLU 39 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2qp0 h GLU 39 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2qp0 h GLU 39 CO 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.34 2qp0 n ALA 40 N -2.11 2.44 -1.41 2.92 0.00 -0.74 -4.90 120.51 116.70 2qp0 n ALA 40 Ca -0.03 -0.75 -0.13 0.00 0.00 0.00 0.00 53.44 52.53 2qp0 n ALA 40 Cb 0.09 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 2qp0 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qp0 n GLY 41 N 1.19 1.24 3.20 0.00 0.00 0.41 -4.85 105.19 106.38 2qp0 n GLY 41 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 2qp0 n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qp0 n ASP 42 N -0.55 5.41 -0.39 1.61 -0.08 -0.96 -4.75 116.55 116.83 2qp0 n ASP 42 Ca -0.13 -3.09 0.37 0.00 -1.51 0.00 0.00 54.79 50.42 2qp0 n ASP 42 Cb 0.44 -1.47 0.73 0.00 2.34 0.00 0.00 41.12 43.16 2qp0 n ASP 42 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2qp0 h LYS 43 N 6.39 0.05 0.19 -0.67 -0.00 -1.89 -1.66 116.57 118.98 2qp0 h LYS 43 Ca 0.30 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.94 2qp0 h LYS 43 Cb 0.76 -0.01 -0.00 0.00 -0.00 0.00 0.00 32.23 32.98 2qp0 h LYS 43 CO 1.33 0.03 -0.13 0.00 -0.00 0.00 0.00 179.45 180.69 2qp0 h ALA 44 N 1.38 -0.95 -0.76 0.07 0.00 -1.95 -2.63 119.26 114.42 2qp0 h ALA 44 Ca 0.64 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.67 2qp0 h ALA 44 Cb 2.43 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 20.45 2qp0 h ALA 44 CO -0.07 -0.95 0.52 0.00 0.00 0.00 0.00 179.25 178.75 2qp0 h ALA 45 N -1.66 2.31 -2.61 0.00 0.00 -1.70 -1.12 119.26 114.49 2qp0 h ALA 45 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qp0 h ALA 45 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2qp0 h ALA 45 CO 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 179.25 178.73 2qp0 n ALA 46 N -2.57 -0.03 -0.09 0.00 0.00 -0.83 -0.52 120.51 116.46 2qp0 n ALA 46 Ca 0.15 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.83 2qp0 n ALA 46 Cb 0.65 0.13 0.69 0.00 0.00 0.00 0.00 19.45 20.92 2qp0 n ALA 46 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2qp0 h GLN 47 N 0.00 0.04 0.01 0.00 1.08 -1.40 -0.50 115.11 114.33 2qp0 h GLN 47 Ca 0.00 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2qp0 h GLN 47 Cb 0.00 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2qp0 h GLN 47 CO 0.00 0.03 -0.01 -0.22 -0.95 0.00 0.00 178.83 177.67 2qp0 h LYS 48 N 0.04 -0.02 0.00 1.46 1.63 -0.51 -2.79 116.57 116.38 2qp0 h LYS 48 Ca 0.34 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 60.07 2qp0 h LYS 48 Cb 1.30 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.93 2qp0 h LYS 48 CO -0.02 -0.01 -0.35 0.00 -3.45 0.00 0.00 179.45 175.62 2qp0 h ALA 49 N -1.67 1.27 -0.36 5.00 0.00 -0.52 -2.93 119.26 120.05 2qp0 h ALA 49 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2qp0 h ALA 49 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qp0 h ALA 49 CO -0.00 0.44 0.00 0.34 0.00 0.00 0.00 179.25 180.02 2qp0 n PHE 50 N -3.90 0.00 0.26 0.00 -0.00 -0.22 -0.83 117.46 112.77 2qp0 n PHE 50 Ca -0.01 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.58 2qp0 n PHE 50 Cb 0.41 -0.44 0.75 0.00 -0.00 0.00 0.00 39.48 40.20 2qp0 n PHE 50 CO 0.00 0.00 0.00 -2.95 -0.00 0.00 0.00 176.76 173.81 2qp0 h ASN 51 N 0.00 0.00 1.13 -2.13 7.08 -1.60 0.74 115.58 120.81 2qp0 h ASN 51 Ca 0.00 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.17 2qp0 h ASN 51 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 2qp0 h ASN 51 CO 0.00 0.00 -0.22 -0.08 -2.08 0.00 0.00 177.43 175.05 2qp0 h GLU 52 N 0.00 0.00 0.00 4.14 4.81 -1.10 -3.22 114.58 119.21 2qp0 h GLU 52 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qp0 h GLU 52 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2qp0 h GLU 52 CO 0.00 0.22 -0.96 0.00 -0.73 0.00 0.00 179.01 177.54 2qp0 n MET 53 N -3.30 1.99 -0.33 1.92 0.00 0.04 -4.65 117.12 112.80 2qp0 n MET 53 Ca 0.01 -0.04 0.13 0.00 0.00 0.00 0.00 57.70 57.79 2qp0 n MET 53 Cb 0.47 -1.07 0.27 0.00 0.00 0.00 0.00 33.22 32.89 2qp0 n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2qp0 h GLN 54 N 0.00 0.04 -0.33 3.17 4.15 -0.97 0.44 115.11 121.60 2qp0 h GLN 54 Ca 0.00 -0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.28 2qp0 h GLN 54 Cb 0.30 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 2qp0 h GLN 54 CO 0.00 0.02 -0.33 -1.00 -1.93 0.00 0.00 178.83 175.60 2qp0 h PRO 55 N 0.04 0.80 0.11 -2.39 0.13 -1.83 -2.02 132.00 126.85 2qp0 h PRO 55 Ca 0.56 -0.42 0.01 0.00 -0.87 0.00 0.00 66.00 65.28 2qp0 h PRO 55 Cb 1.13 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 2qp0 h PRO 55 CO -0.87 1.06 -0.50 0.82 -0.23 0.00 0.00 178.00 178.28 2qp0 h ILE 56 N 0.58 0.00 -0.70 -3.56 2.04 -0.46 0.38 117.51 115.79 2qp0 h ILE 56 Ca 0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 2qp0 h ILE 56 Cb 0.91 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2qp0 h ILE 56 CO 0.08 0.00 0.42 -0.37 0.00 0.00 0.00 178.15 178.28 2qp0 h VAL 57 N -0.71 1.20 -0.26 1.67 -1.51 -1.27 -2.65 116.25 112.73 2qp0 h VAL 57 Ca -0.01 -0.45 0.01 0.00 -1.23 0.00 0.00 66.70 65.02 2qp0 h VAL 57 Cb 0.71 0.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.10 2qp0 h VAL 57 CO -0.27 0.21 0.14 0.44 -1.23 0.00 0.00 177.57 176.86 2qp0 h ASP 58 N 0.95 0.23 -0.06 4.19 3.32 -0.91 -1.96 116.42 122.18 2qp0 h ASP 58 Ca 0.25 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.34 2qp0 h ASP 58 Cb -0.02 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 2qp0 h ASP 58 CO -0.05 0.17 -0.22 -0.09 -1.72 0.00 0.00 179.24 177.34 2qp0 h ARG 59 N 0.30 -0.30 -0.50 3.56 2.43 -0.06 -1.11 114.38 118.70 2qp0 h ARG 59 Ca 0.10 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.39 2qp0 h ARG 59 Cb 0.00 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2qp0 h ARG 59 CO -0.05 -0.20 0.34 1.96 -1.51 0.00 0.00 179.97 180.51 2qp0 h GLN 60 N -0.31 0.26 0.00 0.20 1.08 -1.30 0.21 115.11 115.25 2qp0 h GLN 60 Ca 0.08 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2qp0 h GLN 60 Cb 0.42 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 2qp0 h GLN 60 CO -0.24 0.17 0.00 0.00 -0.95 0.00 0.00 178.83 177.81 2qp0 n ALA 61 N -2.55 1.53 -0.09 3.87 0.00 -0.42 -3.27 120.51 119.59 2qp0 n ALA 61 Ca 0.08 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 2qp0 n ALA 61 Cb 0.38 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 2qp0 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qp0 n ALA 62 N -1.33 1.07 -0.21 0.00 0.00 0.72 -3.88 120.51 116.88 2qp0 n ALA 62 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2qp0 n ALA 62 Cb 0.07 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2qp0 n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qp0 n LYS 63 N -4.36 0.77 0.00 0.00 4.76 -1.14 -4.92 118.16 113.26 2qp0 n LYS 63 Ca -0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 2qp0 n LYS 63 Cb 0.53 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 2qp0 n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qp0 n GLY 64 N 1.47 1.94 7.00 0.72 0.00 -1.22 -4.92 105.19 110.18 2qp0 n GLY 64 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2qp0 n GLY 64 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qp0 n LEU 65 N 0.00 0.00 0.13 0.99 7.94 -1.26 0.24 117.00 125.05 2qp0 n LEU 65 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 2qp0 n LEU 65 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2qp0 n LEU 65 CO 0.00 0.00 0.17 0.40 -1.11 0.00 0.00 177.39 176.85 2qp0 h ILE 66 N 0.00 0.00 -1.34 1.96 5.03 -1.92 -3.49 117.51 117.75 2qp0 h ILE 66 Ca 0.00 -0.63 0.09 0.00 -0.12 0.00 0.00 64.86 64.20 2qp0 h ILE 66 Cb 0.00 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 33.77 2qp0 h ILE 66 CO 0.00 0.00 -0.11 1.57 -0.68 0.00 0.00 178.15 178.93 2qp0 n HIS 67 N -4.85 -2.08 -3.48 1.37 -0.00 0.14 -4.78 115.22 101.54 2qp0 n HIS 67 Ca -0.05 0.39 0.00 0.00 0.46 0.00 0.00 57.72 58.52 2qp0 n HIS 67 Cb 0.16 -0.63 0.00 0.00 -0.12 0.00 0.00 29.99 29.40 2qp0 n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2qp0 n LYS 68 N -1.65 0.00 0.00 1.57 4.76 -1.26 -3.10 118.16 118.48 2qp0 n LYS 68 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 2qp0 n LYS 68 Cb 0.14 0.00 0.10 0.00 -1.84 0.00 0.00 35.03 33.43 2qp0 n LYS 68 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2qp0 n ASN 69 N -3.30 0.00 0.00 4.39 3.02 -1.26 -4.32 115.26 113.79 2qp0 n ASN 69 Ca 0.00 -1.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 2qp0 n ASN 69 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2qp0 n ASN 69 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2qp0 n LYS 70 N -0.56 0.00 -0.22 3.52 4.81 -1.18 -1.58 118.16 122.95 2qp0 n LYS 70 Ca 0.03 0.33 0.01 0.00 -0.87 0.00 0.00 58.31 57.81 2qp0 n LYS 70 Cb 0.01 -1.27 0.09 0.00 0.02 0.00 0.00 35.03 33.88 2qp0 n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qp0 h ALA 71 N -1.94 0.54 -0.87 3.14 0.00 -1.75 0.22 119.26 118.59 2qp0 h ALA 71 Ca 0.00 0.24 0.22 0.00 0.00 0.00 0.00 54.91 55.36 2qp0 h ALA 71 Cb 0.00 0.45 -0.13 0.00 0.00 0.00 0.00 17.79 18.11 2qp0 h ALA 71 CO 0.00 -0.42 0.34 0.00 0.00 0.00 0.00 179.25 179.17 2qp0 h ALA 72 N 1.65 1.35 -0.12 0.00 0.00 -1.79 0.19 119.26 120.54 2qp0 h ALA 72 Ca 0.34 0.17 -0.15 0.00 0.00 0.00 0.00 54.91 55.27 2qp0 h ALA 72 Cb 0.54 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2qp0 h ALA 72 CO -0.64 -0.36 -0.56 0.07 0.00 0.00 0.00 179.25 177.76 2qp0 h ARG 73 N 0.35 0.36 -0.37 0.00 0.11 0.05 -3.04 114.38 111.83 2qp0 h ARG 73 Ca 0.54 -0.22 0.08 0.00 0.10 0.00 0.00 59.98 60.48 2qp0 h ARG 73 Cb 1.03 0.03 -0.09 0.00 1.11 0.00 0.00 29.97 32.05 2qp0 h ARG 73 CO -0.55 0.82 -0.25 0.45 0.10 0.00 0.00 179.97 180.54 2qp0 h HIS 74 N 0.27 -0.67 0.04 4.08 3.86 -0.05 -2.63 115.15 120.05 2qp0 h HIS 74 Ca 0.00 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2qp0 h HIS 74 Cb 1.06 0.35 -0.00 0.00 1.06 0.00 0.00 27.41 29.88 2qp0 h HIS 74 CO 0.03 -0.33 -0.04 0.87 0.86 0.00 0.00 177.93 179.33 2qp0 h LYS 75 N -0.20 -0.07 -0.50 2.45 1.57 -1.44 -2.57 116.57 115.81 2qp0 h LYS 75 Ca 0.18 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 2qp0 h LYS 75 Cb 0.48 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.74 2qp0 h LYS 75 CO -0.49 -0.05 -0.26 0.00 -0.57 0.00 0.00 179.45 178.08 2qp0 n ALA 76 N -2.27 -0.24 -0.02 3.86 0.00 -1.11 -0.02 120.51 120.70 2qp0 n ALA 76 Ca -0.01 0.44 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 2qp0 n ALA 76 Cb 0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.31 2qp0 n ALA 76 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2qp0 h ASN 77 N 0.00 0.14 -0.73 0.00 7.08 -1.48 -3.00 115.58 117.58 2qp0 h ASN 77 Ca 0.11 -0.14 0.16 0.00 -3.08 0.00 0.00 56.30 53.35 2qp0 h ASN 77 Cb 0.23 -0.04 -0.12 0.00 -2.08 0.00 0.00 38.32 36.31 2qp0 h ASN 77 CO -0.47 0.24 0.04 -0.07 -2.08 0.00 0.00 177.43 175.08 2qp0 h LEU 78 N 0.03 -0.27 -0.46 6.14 3.38 -0.01 0.72 115.31 124.84 2qp0 h LEU 78 Ca 0.04 0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.26 2qp0 h LEU 78 Cb 0.14 0.31 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 2qp0 h LEU 78 CO -0.00 -0.15 0.10 0.74 0.09 0.00 0.00 178.44 179.22 2qp0 h THR 79 N 0.13 0.76 -0.84 0.22 2.02 -1.23 0.08 112.91 114.05 2qp0 h THR 79 Ca 0.40 -0.08 0.18 0.00 0.77 0.00 0.00 66.41 67.68 2qp0 h THR 79 Cb 0.70 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 2qp0 h THR 79 CO -0.62 0.04 0.56 0.00 0.37 0.00 0.00 175.52 175.88 2qp0 h ALA 80 N 1.35 2.17 0.01 6.16 0.00 -0.78 -1.39 119.26 126.79 2qp0 h ALA 80 Ca 0.23 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qp0 h ALA 80 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2qp0 h ALA 80 CO -0.29 -0.43 -0.01 1.96 0.00 0.00 0.00 179.25 180.48 2qp0 h GLN 81 N 0.41 -0.02 0.00 0.00 1.08 -0.68 -0.00 115.11 115.90 2qp0 h GLN 81 Ca 0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.63 2qp0 h GLN 81 Cb 1.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 2qp0 h GLN 81 CO -0.15 0.71 0.00 0.44 -0.95 0.00 0.00 178.83 178.88 2qp0 n ILE 82 N -4.74 0.43 -0.07 2.54 -6.64 -0.38 -2.33 119.36 108.18 2qp0 n ILE 82 Ca -0.09 0.11 -0.12 0.00 -1.77 0.00 0.00 62.75 60.87 2qp0 n ILE 82 Cb 0.36 -1.04 -0.04 0.00 -1.44 0.00 0.00 39.64 37.48 2qp0 n ILE 82 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2qp0 n ASN 83 N -1.13 1.54 -0.50 7.28 3.02 -0.60 -4.57 115.26 120.30 2qp0 n ASN 83 Ca 0.03 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 2qp0 n ASN 83 Cb 0.02 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 2qp0 n ASN 83 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qp0 n LYS 84 N -4.03 0.43 -0.36 3.52 4.01 -0.02 -4.70 118.16 117.01 2qp0 n LYS 84 Ca -0.22 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.58 2qp0 n LYS 84 Cb 0.53 -1.21 0.00 0.00 -0.51 0.00 0.00 35.03 33.84 2qp0 n LYS 84 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 2qp0 n LEU 85 N 0.29 0.00 -0.35 -0.35 -0.00 -1.06 -5.01 117.00 110.51 2qp0 n LEU 85 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.16 2qp0 n LEU 85 Cb 0.11 0.00 0.64 0.00 -0.00 0.00 0.00 43.42 44.17 2qp0 n LEU 85 CO 0.00 -0.10 0.93 0.00 -0.00 0.00 0.00 177.39 178.22