#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qou s LEU 3 N 0.00 2.75 0.07 -3.43 2.96 -1.26 -4.79 118.68 114.98 2qou s LEU 3 Ca 0.00 -1.37 0.07 0.00 -0.22 0.00 0.00 54.13 52.60 2qou s LEU 3 Cb 0.00 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 2qou s LEU 3 CO 0.00 -0.65 -0.14 -0.94 -1.32 0.00 0.00 176.35 173.30 2qou s SER 4 N -3.86 4.14 0.15 3.68 1.04 -1.26 -4.99 113.70 112.60 2qou s SER 4 Ca 0.28 -0.39 -0.32 0.00 0.48 0.00 0.00 55.95 56.00 2qou s SER 4 Cb 0.05 -0.75 -0.08 0.00 0.10 0.00 0.00 66.02 65.34 2qou s SER 4 CO 0.15 0.22 1.54 0.71 0.98 0.00 0.00 173.24 176.84 2qou h THR 5 N 3.63 0.00 0.00 2.02 1.35 -2.01 0.46 112.91 118.36 2qou h THR 5 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2qou h THR 5 Cb 1.16 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2qou h THR 5 CO 0.50 0.00 0.00 1.21 -0.25 0.00 0.00 175.52 176.98 2qou n GLU 6 N -5.28 0.00 -0.31 4.72 4.07 -1.26 -0.59 120.64 121.98 2qou n GLU 6 Ca -0.00 0.66 0.09 0.00 -0.06 0.00 0.00 57.16 57.85 2qou n GLU 6 Cb 0.29 -1.42 0.20 0.00 -0.06 0.00 0.00 31.44 30.46 2qou n GLU 6 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qou h ALA 7 N -1.59 0.90 -0.64 4.31 0.00 -1.89 0.23 119.26 120.57 2qou h ALA 7 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2qou h ALA 7 Cb 0.00 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2qou h ALA 7 CO 0.00 -0.47 0.00 2.41 0.00 0.00 0.00 179.25 181.19 2qou n THR 8 N -5.47 0.00 -0.37 0.00 -1.04 0.16 -1.47 114.28 106.09 2qou n THR 8 Ca 0.18 1.39 0.30 0.00 -2.04 0.00 0.00 64.05 63.88 2qou n THR 8 Cb 0.59 -2.37 0.56 0.00 -1.82 0.00 0.00 70.33 67.29 2qou n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qou h ALA 9 N -1.96 2.27 0.39 2.41 0.00 -0.40 0.22 119.26 122.18 2qou h ALA 9 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2qou h ALA 9 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qou h ALA 9 CO 0.00 -0.91 -0.21 -0.22 0.00 0.00 0.00 179.25 177.91 2qou h LYS 10 N 0.19 -0.53 -0.36 0.00 1.63 -0.38 -2.49 116.57 114.64 2qou h LYS 10 Ca 0.78 0.04 0.04 0.00 -0.85 0.00 0.00 60.65 60.65 2qou h LYS 10 Cb 2.07 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 33.80 2qou h LYS 10 CO -0.56 -0.35 0.24 0.97 -3.45 0.00 0.00 179.45 176.30 2qou h ILE 11 N -0.55 1.00 -0.27 2.00 6.09 -0.05 -2.13 117.51 123.59 2qou h ILE 11 Ca -0.05 -0.11 0.05 0.00 -1.37 0.00 0.00 64.86 63.37 2qou h ILE 11 Cb 0.43 0.64 -0.04 0.00 0.47 0.00 0.00 36.82 38.31 2qou h ILE 11 CO 0.07 0.06 0.00 0.58 -3.07 0.00 0.00 178.15 175.80 2qou h VAL 12 N 0.33 0.81 0.06 2.19 2.07 -0.48 -2.31 116.25 118.92 2qou h VAL 12 Ca 0.15 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 2qou h VAL 12 Cb 0.19 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2qou h VAL 12 CO -0.03 0.02 -0.03 0.28 0.02 0.00 0.00 177.57 177.82 2qou h SER 13 N 0.09 -0.07 -0.25 0.57 0.02 -0.98 0.37 113.55 113.29 2qou h SER 13 Ca 0.13 -0.47 0.07 0.00 -0.84 0.00 0.00 61.79 60.69 2qou h SER 13 Cb 0.17 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2qou h SER 13 CO -0.21 0.45 0.54 -0.33 -1.14 0.00 0.00 176.83 176.14 2qou h GLU 14 N -0.63 0.00 0.00 3.45 5.08 -1.31 -1.06 114.58 120.11 2qou h GLU 14 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2qou h GLU 14 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2qou h GLU 14 CO 0.01 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.21 2qou n PHE 15 N -3.18 0.00 -2.40 4.33 3.01 -0.88 -5.05 117.46 113.29 2qou n PHE 15 Ca 0.04 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.09 2qou n PHE 15 Cb 0.65 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.08 2qou n PHE 15 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2qou s GLY 16 N -0.45 2.91 0.47 1.37 0.00 0.13 -4.34 107.32 107.40 2qou s GLY 16 Ca 0.00 0.95 0.18 0.00 0.00 0.00 0.00 44.72 45.86 2qou s GLY 16 CO 0.00 1.68 1.50 3.21 0.00 0.00 0.00 173.10 179.49 2qou h ARG 17 N 4.33 0.00 0.00 2.90 2.47 -1.87 -3.44 114.38 118.77 2qou h ARG 17 Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 2qou h ARG 17 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2qou h ARG 17 CO 0.70 0.00 0.00 -0.40 0.56 0.00 0.00 179.97 180.83 2qou n ASP 18 N -2.37 0.00 -4.60 7.04 5.68 -1.26 -5.11 116.55 115.92 2qou n ASP 18 Ca -0.01 -0.13 -0.43 0.00 -0.50 0.00 0.00 54.79 53.71 2qou n ASP 18 Cb 0.38 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.34 2qou n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qou s ALA 19 N -1.00 2.97 0.11 2.12 0.00 -1.26 -4.51 121.76 120.19 2qou s ALA 19 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2qou s ALA 19 Cb 0.00 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.15 2qou s ALA 19 CO 0.00 -2.47 0.00 -1.71 0.00 0.00 0.00 175.76 171.58 2qou n ASN 20 N 9.62 -8.01 0.00 0.00 5.15 -1.26 -5.05 115.26 115.71 2qou n ASN 20 Ca 0.21 1.31 0.00 0.00 -0.60 0.00 0.00 54.58 55.50 2qou n ASN 20 Cb 0.47 -4.44 0.00 0.00 -0.53 0.00 0.00 39.78 35.28 2qou n ASN 20 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2qou n ASP 21 N 1.56 0.00 -0.33 1.20 5.75 -1.26 -5.02 116.55 118.46 2qou n ASP 21 Ca 0.00 0.00 0.26 0.00 -0.01 0.00 0.00 54.79 55.04 2qou n ASP 21 Cb 0.00 0.00 0.51 0.00 -1.03 0.00 0.00 41.12 40.60 2qou n ASP 21 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2qou h THR 22 N 0.00 0.18 -0.78 2.12 1.35 -1.96 0.53 112.91 114.36 2qou h THR 22 Ca 0.00 -0.07 0.20 0.00 -0.55 0.00 0.00 66.41 65.99 2qou h THR 22 Cb 0.00 -0.03 -0.04 0.00 -1.73 0.00 0.00 68.15 66.35 2qou h THR 22 CO 0.00 0.04 0.54 1.23 -0.25 0.00 0.00 175.52 177.08 2qou h GLY 23 N 0.19 0.32 -5.58 5.82 0.00 -1.98 -3.29 103.07 98.54 2qou h GLY 23 Ca 0.77 -0.07 -0.74 0.00 0.00 0.00 0.00 47.33 47.29 2qou h GLY 23 CO -0.68 0.01 -0.08 -1.26 0.00 0.00 0.00 176.54 174.53 2qou n SER 24 N -4.39 -0.18 -0.03 0.19 2.88 0.18 -4.66 113.62 107.61 2qou n SER 24 Ca 0.16 1.15 -0.15 0.00 -1.33 0.00 0.00 58.87 58.69 2qou n SER 24 Cb 0.73 -0.97 -0.10 0.00 -0.75 0.00 0.00 64.21 63.13 2qou n SER 24 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2qou h THR 25 N 2.38 0.00 -0.85 2.46 2.02 -1.88 -1.08 112.91 115.97 2qou h THR 25 Ca -0.43 0.00 0.20 0.00 0.77 0.00 0.00 66.41 66.95 2qou h THR 25 Cb 1.42 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.68 2qou h THR 25 CO 0.64 0.00 -0.04 -0.33 0.37 0.00 0.00 175.52 176.15 2qou h GLU 26 N -0.56 0.05 0.48 6.66 5.08 -1.88 -1.57 114.58 122.84 2qou h GLU 26 Ca 0.04 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2qou h GLU 26 Cb 0.67 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2qou h GLU 26 CO -0.46 0.04 -0.46 0.28 -1.00 0.00 0.00 179.01 177.41 2qou h VAL 27 N 0.06 0.00 -0.71 3.13 2.07 -1.42 -2.38 116.25 117.00 2qou h VAL 27 Ca 0.47 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.05 2qou h VAL 27 Cb 0.84 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.52 2qou h VAL 27 CO -0.79 0.00 -0.52 1.56 0.02 0.00 0.00 177.57 177.84 2qou h GLN 28 N -0.93 -0.12 -0.81 1.57 4.20 -0.60 0.10 115.11 118.52 2qou h GLN 28 Ca -0.06 0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.83 2qou h GLN 28 Cb 0.80 0.03 -0.15 0.00 0.30 0.00 0.00 27.48 28.46 2qou h GLN 28 CO -0.05 -0.08 -0.16 0.28 -0.67 0.00 0.00 178.83 178.16 2qou h VAL 29 N -0.12 0.21 -0.19 -0.54 2.07 -1.38 -0.83 116.25 115.47 2qou h VAL 29 Ca 0.12 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.66 2qou h VAL 29 Cb 0.42 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 2qou h VAL 29 CO -0.73 0.00 -0.40 0.00 0.02 0.00 0.00 177.57 176.46 2qou h ALA 30 N 1.80 -0.72 -0.31 1.67 0.00 -0.26 0.67 119.26 122.11 2qou h ALA 30 Ca 0.40 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.36 2qou h ALA 30 Cb 0.65 0.95 -0.07 0.00 0.00 0.00 0.00 17.79 19.32 2qou h ALA 30 CO -0.81 -0.89 -0.17 -0.07 0.00 0.00 0.00 179.25 177.32 2qou h LEU 31 N -0.36 -0.57 -0.31 0.00 3.38 -0.90 -0.57 115.31 115.98 2qou h LEU 31 Ca 0.04 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.17 2qou h LEU 31 Cb 0.47 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 2qou h LEU 31 CO -0.37 -0.21 -0.48 -0.07 0.09 0.00 0.00 178.44 177.40 2qou h LEU 32 N -0.13 -1.58 -0.69 1.67 -0.00 -0.41 -1.36 115.31 112.81 2qou h LEU 32 Ca 0.16 0.20 0.10 0.00 -0.00 0.00 0.00 57.88 58.35 2qou h LEU 32 Cb 0.37 0.64 -0.08 0.00 -0.00 0.00 0.00 40.66 41.60 2qou h LEU 32 CO -0.39 -0.36 0.31 0.74 -0.00 0.00 0.00 178.44 178.75 2qou h THR 33 N -0.37 0.78 0.00 0.22 2.02 -0.47 -3.02 112.91 112.09 2qou h THR 33 Ca 0.06 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2qou h THR 33 Cb 0.52 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2qou h THR 33 CO -0.49 0.09 0.00 0.00 0.37 0.00 0.00 175.52 175.50 2qou n ALA 34 N -2.45 0.00 -0.32 6.16 0.00 -0.26 -0.18 120.51 123.47 2qou n ALA 34 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.72 2qou n ALA 34 Cb 0.30 0.23 0.35 0.00 0.00 0.00 0.00 19.45 20.33 2qou n ALA 34 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2qou h GLN 35 N 0.00 0.14 0.00 0.00 7.50 -1.56 -1.03 115.11 120.15 2qou h GLN 35 Ca 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.14 2qou h GLN 35 Cb 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.50 2qou h GLN 35 CO 0.00 0.09 0.00 -0.89 -1.50 0.00 0.00 178.83 176.53 2qou n ILE 36 N -5.28 0.00 0.15 2.54 2.08 -0.25 0.27 119.36 118.86 2qou n ILE 36 Ca 0.25 1.16 0.00 0.00 0.56 0.00 0.00 62.75 64.73 2qou n ILE 36 Cb 0.82 -2.00 0.00 0.00 -0.75 0.00 0.00 39.64 37.72 2qou n ILE 36 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2qou n ASN 37 N -1.21 0.03 0.00 4.38 5.03 0.74 -0.78 115.26 123.45 2qou n ASN 37 Ca 0.00 -0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.27 2qou n ASN 37 Cb 0.00 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 38.74 2qou n ASN 37 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2qou n HIS 38 N -0.16 0.00 0.22 3.10 -0.00 -0.43 -4.75 115.22 113.20 2qou n HIS 38 Ca 0.00 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.27 2qou n HIS 38 Cb 0.01 0.00 0.48 0.00 -0.12 0.00 0.00 29.99 30.36 2qou n HIS 38 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2qou h LEU 39 N 0.00 0.00 -0.69 0.27 4.07 0.58 -3.11 115.31 116.43 2qou h LEU 39 Ca 0.00 0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.09 2qou h LEU 39 Cb 0.21 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.86 2qou h LEU 39 CO 0.00 0.25 0.23 1.56 -1.08 0.00 0.00 178.44 179.40 2qou h GLN 40 N 0.00 0.37 -0.64 1.13 7.50 -1.80 1.27 115.11 122.94 2qou h GLN 40 Ca -0.00 -0.02 0.18 0.00 0.50 0.00 0.00 58.65 59.31 2qou h GLN 40 Cb 0.69 -0.08 -0.03 0.00 0.05 0.00 0.00 27.48 28.12 2qou h GLN 40 CO 0.03 0.24 0.72 0.78 -1.50 0.00 0.00 178.83 179.10 2qou h GLY 41 N 0.38 0.00 0.00 3.46 0.00 -1.90 0.81 103.07 105.82 2qou h GLY 41 Ca 0.37 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.43 2qou h GLY 41 CO -0.40 0.00 -2.04 1.57 0.00 0.00 0.00 176.54 175.67 2qou n HIS 42 N -3.54 0.00 -0.03 5.60 -0.00 0.17 -4.29 115.22 113.13 2qou n HIS 42 Ca 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.72 2qou n HIS 42 Cb 0.94 -0.72 -0.11 0.00 -0.00 0.00 0.00 29.99 30.11 2qou n HIS 42 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 2qou h PHE 43 N 0.00 -0.01 -0.82 1.57 -1.00 0.30 -3.10 116.94 113.88 2qou h PHE 43 Ca -0.41 -0.00 0.18 0.00 2.81 0.00 0.00 57.97 60.56 2qou h PHE 43 Cb 1.74 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 41.25 2qou h PHE 43 CO 0.01 0.69 0.55 0.00 -1.61 0.00 0.00 178.31 177.96 2qou h ALA 44 N 0.23 2.25 -2.36 2.45 0.00 0.35 -2.56 119.26 119.62 2qou h ALA 44 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 2qou h ALA 44 Cb 0.71 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2qou h ALA 44 CO 0.00 -0.49 0.03 -2.00 0.00 0.00 0.00 179.25 176.79 2qou s GLU 45 N -5.35 3.78 0.00 0.00 2.12 -1.17 -4.27 118.70 113.81 2qou s GLU 45 Ca -0.08 0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.62 2qou s GLU 45 Cb 0.22 -2.48 0.00 0.00 0.26 0.00 0.00 34.13 32.12 2qou s GLU 45 CO 0.77 0.09 0.00 0.72 -0.54 0.00 0.00 175.26 176.30 2qou n HIS 46 N -0.95 0.00 -0.43 5.30 8.25 -1.26 -4.58 115.22 121.55 2qou n HIS 46 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2qou n HIS 46 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 2qou n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qou n LYS 47 N 0.00 0.00 -0.13 -0.41 5.02 -0.96 -4.72 118.16 116.96 2qou n LYS 47 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 2qou n LYS 47 Cb 0.00 -4.04 0.15 0.00 -0.02 0.00 0.00 35.03 31.12 2qou n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qou n LYS 48 N -2.00 1.30 -1.44 1.97 5.02 -1.26 -4.83 118.16 116.92 2qou n LYS 48 Ca 0.00 -2.64 -0.38 0.00 -2.02 0.00 0.00 58.31 53.27 2qou n LYS 48 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 2qou n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qou n ASP 49 N -1.39 8.55 -0.05 4.39 -0.08 -1.26 -4.80 116.55 121.92 2qou n ASP 49 Ca 0.16 -2.68 -0.01 0.00 -1.51 0.00 0.00 54.79 50.74 2qou n ASP 49 Cb 0.65 -1.52 -0.01 0.00 2.34 0.00 0.00 41.12 42.58 2qou n ASP 49 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2qou n HIS 50 N 3.17 -0.05 -0.30 -0.67 8.25 -1.26 -0.71 115.22 123.65 2qou n HIS 50 Ca 0.75 0.14 0.14 0.00 -0.26 0.00 0.00 57.72 58.49 2qou n HIS 50 Cb 0.25 -0.39 0.30 0.00 1.12 0.00 0.00 29.99 31.27 2qou n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2qou h HIS 51 N 0.00 0.33 -0.02 4.41 3.86 -2.02 0.91 115.15 122.61 2qou h HIS 51 Ca 0.02 0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 2qou h HIS 51 Cb 0.05 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 2qou h HIS 51 CO -0.69 -0.24 -0.21 0.77 0.86 0.00 0.00 177.93 178.42 2qou h SER 52 N 0.18 0.03 -0.72 2.45 0.02 -1.32 -2.11 113.55 112.09 2qou h SER 52 Ca 0.57 -0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.64 2qou h SER 52 Cb 1.17 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.61 2qou h SER 52 CO -0.69 0.25 0.29 -0.09 -1.14 0.00 0.00 176.83 175.45 2qou h ARG 53 N 0.03 0.44 0.21 3.45 9.65 0.18 0.98 114.38 129.32 2qou h ARG 53 Ca 0.01 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2qou h ARG 53 Cb 0.39 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 2qou h ARG 53 CO 0.03 0.29 -0.16 -0.09 2.80 0.00 0.00 179.97 182.83 2qou h ARG 54 N 0.45 -0.37 0.04 0.20 2.43 -1.25 0.41 114.38 116.29 2qou h ARG 54 Ca 0.38 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.61 2qou h ARG 54 Cb 0.54 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 2qou h ARG 54 CO -0.37 -0.25 -0.40 0.78 -1.51 0.00 0.00 179.97 178.22 2qou h GLY 55 N -0.38 -0.75 0.75 2.80 0.00 -1.05 0.92 103.07 105.35 2qou h GLY 55 Ca -0.01 0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 2qou h GLY 55 CO -0.01 -0.25 -0.35 -2.00 0.00 0.00 0.00 176.54 173.93 2qou h LEU 56 N -0.58 -0.91 0.04 3.11 5.85 -0.74 0.48 115.31 122.56 2qou h LEU 56 Ca 0.04 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2qou h LEU 56 Cb 0.64 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 2qou h LEU 56 CO -0.29 -0.52 -0.17 0.25 -0.34 0.00 0.00 178.44 177.37 2qou h LEU 57 N -0.80 -0.49 -0.18 2.25 7.12 0.01 -0.60 115.31 122.63 2qou h LEU 57 Ca -0.05 0.07 -0.00 0.00 0.13 0.00 0.00 57.88 58.02 2qou h LEU 57 Cb 0.68 0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 41.00 2qou h LEU 57 CO 0.01 -0.24 0.09 -0.09 -0.13 0.00 0.00 178.44 178.08 2qou h ARG 58 N -0.30 0.25 -0.01 1.25 1.12 0.93 -1.26 114.38 116.37 2qou h ARG 58 Ca 0.04 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 2qou h ARG 58 Cb 0.35 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.26 2qou h ARG 58 CO -0.13 0.26 0.02 0.00 -3.11 0.00 0.00 179.97 177.01 2qou h MET 59 N 0.17 0.00 0.11 0.20 -0.00 0.14 -1.84 114.93 113.72 2qou h MET 59 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.76 2qou h MET 59 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.69 2qou h MET 59 CO -0.01 0.00 -0.05 0.28 -0.00 0.00 0.00 176.91 177.13 2qou h VAL 60 N 0.00 1.09 -0.56 -0.10 2.07 0.10 -3.21 116.25 115.64 2qou h VAL 60 Ca 0.00 -0.98 0.11 0.00 0.82 0.00 0.00 66.70 66.65 2qou h VAL 60 Cb 0.03 1.69 -0.11 0.00 -1.52 0.00 0.00 31.29 31.39 2qou h VAL 60 CO -0.00 0.23 -0.19 0.77 0.02 0.00 0.00 177.57 178.40 2qou h SER 61 N -0.62 -0.68 -0.85 0.57 4.64 -0.98 0.98 113.55 116.60 2qou h SER 61 Ca -0.02 0.18 0.22 0.00 -0.47 0.00 0.00 61.79 61.70 2qou h SER 61 Cb 0.49 0.40 -0.13 0.00 -0.31 0.00 0.00 62.40 62.85 2qou h SER 61 CO 0.03 -0.23 0.24 -0.61 -0.87 0.00 0.00 176.83 175.39 2qou h GLN 62 N -0.06 0.24 0.25 4.77 4.15 -1.57 0.37 115.11 123.26 2qou h GLN 62 Ca 0.26 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 2qou h GLN 62 Cb 0.46 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.10 2qou h GLN 62 CO -0.60 0.16 -0.12 -0.09 -1.93 0.00 0.00 178.83 176.25 2qou h ARG 63 N 0.25 -0.32 -0.16 1.69 2.43 -0.84 0.28 114.38 117.70 2qou h ARG 63 Ca 0.52 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.75 2qou h ARG 63 Cb 1.02 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.57 2qou h ARG 63 CO -0.61 -0.20 -0.53 -0.09 -1.51 0.00 0.00 179.97 177.02 2qou h ARG 64 N -0.35 -0.53 0.00 0.20 9.65 0.34 0.63 114.38 124.32 2qou h ARG 64 Ca -0.03 0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 2qou h ARG 64 Cb 0.27 0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.97 2qou h ARG 64 CO 0.06 -0.35 -0.03 0.87 2.80 0.00 0.00 179.97 183.32 2qou h LYS 65 N -0.55 0.00 0.12 0.20 1.57 -0.37 0.76 116.57 118.30 2qou h LYS 65 Ca 0.04 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.54 2qou h LYS 65 Cb 0.66 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.97 2qou h LYS 65 CO -0.45 0.03 -1.21 1.25 -0.57 0.00 0.00 179.45 178.50 2qou h LEU 66 N 0.00 0.48 0.22 2.94 7.12 0.22 -3.14 115.31 123.15 2qou h LEU 66 Ca -0.00 -0.49 -0.01 0.00 0.13 0.00 0.00 57.88 57.51 2qou h LEU 66 Cb 0.13 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 2qou h LEU 66 CO 0.00 1.36 -0.11 -0.07 -0.13 0.00 0.00 178.44 179.50 2qou h LEU 67 N 0.11 -0.25 -1.35 2.25 3.38 0.17 -3.24 115.31 116.38 2qou h LEU 67 Ca -0.13 0.01 0.36 0.00 0.09 0.00 0.00 57.88 58.20 2qou h LEU 67 Cb 1.92 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 42.62 2qou h LEU 67 CO 0.20 0.19 0.75 0.44 0.09 0.00 0.00 178.44 180.12 2qou h ASP 68 N -1.05 0.34 -0.29 -0.43 3.32 -1.09 0.63 116.42 117.87 2qou h ASP 68 Ca -0.03 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.20 2qou h ASP 68 Cb 0.23 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 2qou h ASP 68 CO 0.05 -0.08 -0.08 0.22 -1.72 0.00 0.00 179.24 177.63 2qou h TYR 69 N 0.22 -0.17 -0.62 4.55 3.20 -1.60 -2.67 116.97 119.88 2qou h TYR 69 Ca 0.72 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.73 2qou h TYR 69 Cb 2.07 0.12 -0.12 0.00 1.54 0.00 0.00 36.73 40.35 2qou h TYR 69 CO -0.00 -0.13 -0.33 1.25 -1.64 0.00 0.00 178.16 177.30 2qou h LEU 70 N -0.01 -1.14 -1.97 2.82 7.12 0.26 0.43 115.31 122.82 2qou h LEU 70 Ca 0.14 0.23 0.32 0.00 0.13 0.00 0.00 57.88 58.70 2qou h LEU 70 Cb 0.22 0.58 -0.05 0.00 -0.53 0.00 0.00 40.66 40.88 2qou h LEU 70 CO -0.30 -0.30 0.79 0.50 -0.13 0.00 0.00 178.44 179.00 2qou h LYS 71 N -0.14 0.02 -0.62 1.25 3.64 -1.46 0.92 116.57 120.17 2qou h LYS 71 Ca 0.25 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2qou h LYS 71 Cb 0.55 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2qou h LYS 71 CO -0.70 0.01 0.00 0.54 -2.27 0.00 0.00 179.45 177.03 2qou n ARG 72 N -4.22 2.88 0.00 1.90 1.74 0.15 -4.07 116.66 115.04 2qou n ARG 72 Ca 0.24 -1.87 0.00 0.00 -0.77 0.00 0.00 57.85 55.45 2qou n ARG 72 Cb 1.15 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.87 2qou n ARG 72 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2qou n LYS 73 N 0.60 1.50 -2.70 5.56 4.76 0.29 -5.03 118.16 123.14 2qou n LYS 73 Ca 0.17 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.57 2qou n LYS 73 Cb 0.66 -0.47 0.03 0.00 -1.84 0.00 0.00 35.03 33.41 2qou n LYS 73 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2qou n ASP 74 N -0.37 -2.20 -0.29 4.39 -0.08 0.69 -5.02 116.55 113.66 2qou n ASP 74 Ca 0.00 -1.85 0.25 0.00 -1.51 0.00 0.00 54.79 51.69 2qou n ASP 74 Cb 0.00 1.15 0.47 0.00 2.34 0.00 0.00 41.12 45.07 2qou n ASP 74 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2qou n VAL 75 N 2.53 -0.38 0.00 5.18 0.31 -1.26 -2.33 118.33 122.38 2qou n VAL 75 Ca 0.12 1.87 0.00 0.00 -0.01 0.00 0.00 64.34 66.32 2qou n VAL 75 Cb 0.62 -2.95 0.00 0.00 -0.91 0.00 0.00 33.84 30.60 2qou n VAL 75 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qou n ALA 76 N -2.55 0.00 -0.35 3.52 0.00 -1.26 -2.13 120.51 117.74 2qou n ALA 76 Ca 0.31 0.00 0.33 0.00 0.00 0.00 0.00 53.44 54.08 2qou n ALA 76 Cb 1.05 0.09 0.60 0.00 0.00 0.00 0.00 19.45 21.19 2qou n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qou n ARG 77 N -0.67 -0.05 0.19 0.00 1.74 -0.98 -0.36 116.66 116.53 2qou n ARG 77 Ca 0.00 1.33 -0.14 0.00 -0.77 0.00 0.00 57.85 58.27 2qou n ARG 77 Cb 0.00 -2.44 -0.08 0.00 -1.02 0.00 0.00 32.46 28.93 2qou n ARG 77 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2qou h TYR 78 N 0.00 -1.14 -0.05 -1.55 3.20 -1.30 0.55 116.97 116.69 2qou h TYR 78 Ca 0.84 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.61 2qou h TYR 78 Cb 2.35 0.46 -0.01 0.00 1.54 0.00 0.00 36.73 41.06 2qou h TYR 78 CO -0.01 -0.52 -0.50 1.79 -1.64 0.00 0.00 178.16 177.28 2qou h THR 79 N -0.74 1.35 0.00 1.81 1.35 -0.32 -2.17 112.91 114.20 2qou h THR 79 Ca -0.04 -1.73 -0.10 0.00 -0.55 0.00 0.00 66.41 63.99 2qou h THR 79 Cb 0.67 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 2qou h THR 79 CO -0.10 0.51 -0.46 1.56 -0.25 0.00 0.00 175.52 176.78 2qou h GLN 80 N 0.10 0.00 0.00 4.72 4.20 -0.51 -3.33 115.11 120.29 2qou h GLN 80 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qou h GLN 80 Cb 0.92 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 2qou h GLN 80 CO 0.07 0.46 -0.07 1.25 -0.67 0.00 0.00 178.83 179.87 2qou h LEU 81 N 0.00 0.00 -0.57 1.46 6.46 0.28 -3.38 115.31 119.55 2qou h LEU 81 Ca -0.00 -0.01 0.14 0.00 -0.12 0.00 0.00 57.88 57.89 2qou h LEU 81 Cb 1.06 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.88 2qou h LEU 81 CO 0.06 0.54 -0.04 -0.38 -0.62 0.00 0.00 178.44 178.00 2qou n ILE 82 N -4.76 -0.24 -0.25 4.05 5.41 -0.83 -1.08 119.36 121.67 2qou n ILE 82 Ca -0.01 1.28 -0.10 0.00 1.00 0.00 0.00 62.75 64.92 2qou n ILE 82 Cb 0.04 -1.84 -0.08 0.00 -0.71 0.00 0.00 39.64 37.05 2qou n ILE 82 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2qou h GLU 83 N 0.00 -0.12 0.00 0.38 4.57 -1.74 0.72 114.58 118.40 2qou h GLU 83 Ca 0.32 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 2qou h GLU 83 Cb 0.61 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2qou h GLU 83 CO -0.56 -0.08 0.00 0.54 -1.18 0.00 0.00 179.01 177.73 2qou n ARG 84 N -4.83 0.02 0.00 1.92 1.74 -0.24 -0.94 116.66 114.33 2qou n ARG 84 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2qou n ARG 84 Cb 0.23 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2qou n ARG 84 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qou n LEU 85 N -0.75 0.00 0.00 0.55 4.32 0.21 -5.01 117.00 116.33 2qou n LEU 85 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2qou n LEU 85 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2qou n LEU 85 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 2qou n GLY 86 N 2.23 1.67 3.28 -0.72 0.00 0.10 -4.98 105.19 106.78 2qou n GLY 86 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2qou n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qou n LEU 87 N 0.00 -0.79 -1.55 0.99 4.77 -1.24 -3.23 117.00 115.95 2qou n LEU 87 Ca 0.00 -0.68 -0.08 0.00 -0.03 0.00 0.00 56.01 55.23 2qou n LEU 87 Cb 0.00 -1.07 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 2qou n LEU 87 CO 0.00 -4.26 -0.08 -1.14 -1.33 0.00 0.00 177.39 170.58 2qou n ARG 88 N -5.53 -1.52 -0.57 3.23 3.00 -1.26 -4.87 116.66 109.14 2qou n ARG 88 Ca 0.10 0.43 0.00 0.00 -0.00 0.00 0.00 57.85 58.38 2qou n ARG 88 Cb 0.58 -4.68 0.00 0.00 0.00 0.00 0.00 32.46 28.36 2qou n ARG 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17