#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qou n MET 2 N 0.00 2.80 -0.06 4.33 0.00 -1.26 -4.54 117.12 118.39 2qou n MET 2 Ca 0.00 -1.97 -0.14 0.00 0.00 0.00 0.00 57.70 55.59 2qou n MET 2 Cb 0.00 -2.76 -0.06 0.00 0.00 0.00 0.00 33.22 30.40 2qou n MET 2 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 2qou h GLN 3 N 5.89 0.57 -4.74 2.12 4.20 -2.07 -3.40 115.11 117.68 2qou h GLN 3 Ca 0.66 -0.35 -0.67 0.00 0.06 0.00 0.00 58.65 58.35 2qou h GLN 3 Cb 0.33 0.03 -0.36 0.00 0.30 0.00 0.00 27.48 27.78 2qou h GLN 3 CO 1.70 0.95 -0.72 0.34 -0.67 0.00 0.00 178.83 180.44 2qou s ASP 4 N -6.49 4.76 0.12 1.46 3.68 -1.26 -4.99 116.67 113.95 2qou s ASP 4 Ca -0.13 -1.67 -0.14 0.00 2.13 0.00 0.00 52.55 52.74 2qou s ASP 4 Cb 0.07 -1.65 -0.04 0.00 -1.45 0.00 0.00 42.92 39.84 2qou s ASP 4 CO 0.81 -0.31 1.50 1.55 0.13 0.00 0.00 175.17 178.85 2qou h PRO 5 N 7.82 0.78 -0.28 4.34 0.13 -1.97 -3.31 132.00 139.51 2qou h PRO 5 Ca -0.14 -0.34 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 2qou h PRO 5 Cb 1.04 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.07 2qou h PRO 5 CO 0.53 0.96 -0.55 0.82 -0.23 0.00 0.00 178.00 179.53 2qou h ILE 6 N 0.57 0.00 -0.91 -3.56 1.08 -1.98 -1.87 117.51 110.84 2qou h ILE 6 Ca 0.08 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.73 2qou h ILE 6 Cb 0.72 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.31 2qou h ILE 6 CO 0.05 0.00 -0.26 0.00 -0.69 0.00 0.00 178.15 177.25 2qou h ALA 7 N -0.15 0.50 -0.91 1.87 0.00 -2.00 0.34 119.26 118.92 2qou h ALA 7 Ca 0.06 0.34 0.26 0.00 0.00 0.00 0.00 54.91 55.56 2qou h ALA 7 Cb 0.64 0.75 -0.15 0.00 0.00 0.00 0.00 17.79 19.03 2qou h ALA 7 CO -0.52 -0.44 0.30 0.22 0.00 0.00 0.00 179.25 178.81 2qou h ASP 8 N -0.01 0.09 0.42 0.00 1.82 -1.45 0.73 116.42 118.02 2qou h ASP 8 Ca 0.42 0.20 -0.02 0.00 -0.39 0.00 0.00 57.03 57.23 2qou h ASP 8 Cb 0.65 0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.92 2qou h ASP 8 CO -0.94 -0.16 -0.20 -0.03 -1.61 0.00 0.00 179.24 176.30 2qou h MET 9 N 0.22 -0.55 -0.62 0.28 4.05 -0.30 -0.07 114.93 117.94 2qou h MET 9 Ca 0.59 0.04 0.13 0.00 -0.28 0.00 0.00 59.70 60.18 2qou h MET 9 Cb 1.24 0.12 -0.12 0.00 -0.80 0.00 0.00 31.60 32.05 2qou h MET 9 CO -0.66 -0.36 -0.14 -0.07 0.23 0.00 0.00 176.91 175.91 2qou h LEU 10 N -0.82 -0.55 0.94 3.39 3.38 -0.93 -0.83 115.31 119.88 2qou h LEU 10 Ca -0.06 0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2qou h LEU 10 Cb 0.43 0.38 0.01 0.00 0.09 0.00 0.00 40.66 41.57 2qou h LEU 10 CO 0.10 -0.20 -0.45 0.71 0.09 0.00 0.00 178.44 178.69 2qou h THR 11 N 0.01 0.00 -0.70 0.22 1.35 0.39 -2.64 112.91 111.54 2qou h THR 11 Ca 0.30 -0.03 0.20 0.00 -0.55 0.00 0.00 66.41 66.33 2qou h THR 11 Cb 0.46 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.86 2qou h THR 11 CO -0.63 0.00 0.63 0.03 -0.25 0.00 0.00 175.52 175.29 2qou h ARG 12 N -1.29 0.00 0.25 4.72 3.08 -0.63 -1.94 114.38 118.57 2qou h ARG 12 Ca -0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2qou h ARG 12 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2qou h ARG 12 CO 0.21 0.00 -0.12 0.82 -1.07 0.00 0.00 179.97 179.81 2qou h ILE 13 N 0.00 0.00 -0.44 2.04 2.04 -0.80 -2.34 117.51 118.00 2qou h ILE 13 Ca 0.33 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 66.16 2qou h ILE 13 Cb 1.59 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 2qou h ILE 13 CO -0.00 0.00 0.08 0.08 0.00 0.00 0.00 178.15 178.30 2qou h ARG 14 N -0.44 0.20 -0.96 2.37 0.11 -1.22 -0.59 114.38 113.85 2qou h ARG 14 Ca -0.03 -0.01 0.16 0.00 0.10 0.00 0.00 59.98 60.19 2qou h ARG 14 Cb 0.26 -0.05 -0.08 0.00 1.11 0.00 0.00 29.97 31.21 2qou h ARG 14 CO 0.06 0.13 0.60 -0.91 0.10 0.00 0.00 179.97 179.95 2qou h ASN 15 N 0.21 0.74 -0.13 0.08 2.35 -1.47 -1.24 115.58 116.12 2qou h ASN 15 Ca 0.22 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 2qou h ASN 15 Cb 0.28 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 2qou h ASN 15 CO -0.29 0.35 -0.03 1.23 -1.65 0.00 0.00 177.43 177.03 2qou h GLY 16 N 0.77 0.27 0.90 2.83 0.00 -0.57 -2.64 103.07 104.63 2qou h GLY 16 Ca 0.50 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2qou h GLY 16 CO -0.27 0.20 0.48 1.46 0.00 0.00 0.00 176.54 178.42 2qou h GLN 17 N -0.06 0.00 0.04 4.80 1.08 -0.22 0.12 115.11 120.85 2qou h GLN 17 Ca 0.03 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 2qou h GLN 17 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2qou h GLN 17 CO 0.01 0.00 -0.27 0.00 -0.95 0.00 0.00 178.83 177.62 2qou h ALA 18 N 0.90 -0.01 -0.14 3.87 0.00 -1.27 -3.31 119.26 119.31 2qou h ALA 18 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2qou h ALA 18 Cb 0.96 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2qou h ALA 18 CO 0.00 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2qou n ALA 19 N -2.66 2.49 -2.34 0.00 0.00 0.34 -4.87 120.51 113.47 2qou n ALA 19 Ca -0.12 -0.25 -0.17 0.00 0.00 0.00 0.00 53.44 52.90 2qou n ALA 19 Cb 0.58 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 2qou n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qou n ASN 20 N -0.08 -5.08 -4.72 0.00 4.13 -0.80 -4.90 115.26 103.80 2qou n ASN 20 Ca 0.05 0.10 -0.43 0.00 1.68 0.00 0.00 54.58 55.98 2qou n ASN 20 Cb 0.13 -4.28 -0.02 0.00 -1.54 0.00 0.00 39.78 34.08 2qou n ASN 20 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qou n LYS 21 N -2.87 2.41 0.09 3.52 4.76 -1.15 -4.90 118.16 120.03 2qou n LYS 21 Ca -0.21 0.85 -0.12 0.00 -2.87 0.00 0.00 58.31 55.97 2qou n LYS 21 Cb 0.65 -2.56 -0.05 0.00 -1.84 0.00 0.00 35.03 31.23 2qou n LYS 21 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qou h ALA 22 N 4.04 -0.46 -3.00 7.82 0.00 -1.93 -3.44 119.26 122.30 2qou h ALA 22 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2qou h ALA 22 Cb 1.25 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2qou h ALA 22 CO 0.74 -0.82 0.00 0.00 0.00 0.00 0.00 179.25 179.17 2qou n ALA 23 N -2.68 0.00 -3.01 0.00 0.00 -1.26 -2.20 120.51 111.36 2qou n ALA 23 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 2qou n ALA 23 Cb 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 2qou n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qou s VAL 24 N -0.29 0.07 0.32 0.00 0.11 0.71 -4.65 120.40 116.67 2qou s VAL 24 Ca 0.00 -0.64 0.04 0.00 -2.93 0.00 0.00 61.98 58.46 2qou s VAL 24 Cb 0.00 -1.24 -0.06 0.00 -1.53 0.00 0.00 36.38 33.55 2qou s VAL 24 CO 0.00 -0.30 0.03 -0.89 -3.33 0.00 0.00 175.10 170.61 2qou s THR 25 N -3.82 1.31 0.00 5.04 2.01 -1.25 -2.15 115.64 116.78 2qou s THR 25 Ca 0.04 -2.02 0.00 0.00 0.31 0.00 0.00 61.69 60.02 2qou s THR 25 Cb 0.02 -2.73 0.00 0.00 0.01 0.00 0.00 72.50 69.80 2qou s THR 25 CO -0.11 -0.07 0.00 1.15 -0.69 0.00 0.00 174.62 174.91 2qou n MET 26 N -0.67 0.00 -1.76 4.92 0.00 -1.23 -4.92 117.12 113.46 2qou n MET 26 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.29 2qou n MET 26 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.85 2qou n MET 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2qou s PRO 27 N -1.99 2.45 0.25 3.17 0.04 -1.26 0.01 135.00 137.67 2qou s PRO 27 Ca 0.00 1.18 -0.31 0.00 0.04 0.00 0.00 61.00 61.91 2qou s PRO 27 Cb 0.00 -4.47 -0.12 0.00 0.04 0.00 0.00 34.50 29.95 2qou s PRO 27 CO 0.00 -2.90 1.68 -1.12 0.04 0.00 0.00 177.00 174.70 2qou s SER 28 N 10.03 6.36 0.08 6.66 0.01 -1.20 -4.89 113.70 130.76 2qou s SER 28 Ca 0.86 2.92 0.07 0.00 1.31 0.00 0.00 55.95 61.11 2qou s SER 28 Cb -0.17 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.41 2qou s SER 28 CO 0.25 -0.96 -0.20 -0.94 0.41 0.00 0.00 173.24 171.81 2qou s SER 29 N 0.88 2.35 0.40 2.44 1.04 -1.26 -4.72 113.70 114.84 2qou s SER 29 Ca 0.70 -0.62 0.28 0.00 0.48 0.00 0.00 55.95 56.79 2qou s SER 29 Cb -0.49 -0.14 1.39 0.00 0.10 0.00 0.00 66.02 66.88 2qou s SER 29 CO 0.39 0.06 1.49 1.17 0.98 0.00 0.00 173.24 177.34 2qou n LYS 30 N 1.34 -0.04 -0.05 4.02 4.81 -1.26 -0.29 118.16 126.68 2qou n LYS 30 Ca -0.19 1.22 -0.14 0.00 -0.87 0.00 0.00 58.31 58.33 2qou n LYS 30 Cb 0.54 -2.36 -0.12 0.00 0.02 0.00 0.00 35.03 33.11 2qou n LYS 30 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2qou h LEU 31 N 0.00 0.03 -1.56 3.14 5.85 -2.01 -3.28 115.31 117.49 2qou h LEU 31 Ca 0.83 -0.85 0.32 0.00 0.84 0.00 0.00 57.88 59.02 2qou h LEU 31 Cb 2.58 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 43.51 2qou h LEU 31 CO -0.51 0.87 0.76 0.11 -0.34 0.00 0.00 178.44 179.33 2qou h LYS 32 N -0.81 0.22 0.00 1.25 1.57 -1.05 -2.69 116.57 115.06 2qou h LYS 32 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2qou h LYS 32 Cb 0.88 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2qou h LYS 32 CO 0.01 0.15 0.00 0.28 -0.57 0.00 0.00 179.45 179.31 2qou n VAL 33 N -4.50 0.00 -0.33 0.50 0.31 -0.90 -0.35 118.33 113.05 2qou n VAL 33 Ca 0.28 1.36 0.24 0.00 -0.01 0.00 0.00 64.34 66.21 2qou n VAL 33 Cb 1.09 -2.26 0.46 0.00 -0.91 0.00 0.00 33.84 32.21 2qou n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qou h ALA 34 N -1.85 1.76 0.01 3.52 0.00 -1.60 0.62 119.26 121.72 2qou h ALA 34 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2qou h ALA 34 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2qou h ALA 34 CO 0.00 -0.73 -0.01 0.82 0.00 0.00 0.00 179.25 179.33 2qou h ILE 35 N 0.08 1.12 -0.21 0.00 2.04 -1.35 -2.08 117.51 117.11 2qou h ILE 35 Ca 0.73 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 66.17 2qou h ILE 35 Cb 1.75 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 2qou h ILE 35 CO -0.77 0.10 0.07 0.00 0.00 0.00 0.00 178.15 177.55 2qou h ALA 36 N 0.79 1.73 0.06 1.87 0.00 0.30 -2.30 119.26 121.71 2qou h ALA 36 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qou h ALA 36 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qou h ALA 36 CO 0.00 0.22 -0.03 -0.97 0.00 0.00 0.00 179.25 178.47 2qou h ASN 37 N 0.30 -0.07 -0.13 0.00 -0.00 -0.13 -1.65 115.58 113.89 2qou h ASN 37 Ca 0.08 -0.17 0.04 0.00 -0.00 0.00 0.00 56.30 56.25 2qou h ASN 37 Cb 0.09 0.02 -0.04 0.00 -0.00 0.00 0.00 38.32 38.39 2qou h ASN 37 CO -0.01 0.12 -0.11 0.58 -0.00 0.00 0.00 177.43 178.02 2qou h VAL 38 N -0.26 0.68 -0.76 2.57 2.07 -0.96 0.32 116.25 119.91 2qou h VAL 38 Ca -0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.65 2qou h VAL 38 Cb 0.23 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2qou h VAL 38 CO 0.01 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 178.04 2qou h LEU 39 N -0.12 0.43 -0.68 2.57 3.38 -1.36 0.22 115.31 119.75 2qou h LEU 39 Ca 0.09 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2qou h LEU 39 Cb 0.25 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2qou h LEU 39 CO -0.21 0.23 -0.39 0.50 0.09 0.00 0.00 178.44 178.66 2qou h LYS 40 N 0.46 0.57 0.18 1.13 3.64 -0.06 0.87 116.57 123.36 2qou h LYS 40 Ca 0.37 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2qou h LYS 40 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2qou h LYS 40 CO -0.13 0.87 -0.09 0.93 -2.27 0.00 0.00 179.45 178.77 2qou h GLU 41 N 0.47 -0.23 -1.70 1.90 4.39 0.13 -3.28 114.58 116.25 2qou h GLU 41 Ca 0.04 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2qou h GLU 41 Cb 0.89 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2qou h GLU 41 CO 0.08 0.18 0.00 0.39 -1.16 0.00 0.00 179.01 178.50 2qou n GLU 42 N -4.94 0.76 -2.47 2.33 -0.58 -0.32 -4.76 120.64 110.65 2qou n GLU 42 Ca -0.08 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.59 2qou n GLU 42 Cb 0.26 -1.12 -0.00 0.00 -0.57 0.00 0.00 31.44 30.01 2qou n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qou n GLY 43 N 1.23 -0.50 0.12 0.62 0.00 -1.24 -4.82 105.19 100.60 2qou n GLY 43 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2qou n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2qou h PHE 44 N -0.01 0.52 -3.70 1.61 0.04 -1.10 -3.47 116.94 110.84 2qou h PHE 44 Ca -0.18 -0.38 -0.23 0.00 2.80 0.00 0.00 57.97 59.98 2qou h PHE 44 Cb 1.13 -0.02 -0.28 0.00 2.20 0.00 0.00 35.95 38.98 2qou h PHE 44 CO 0.78 1.45 -0.71 0.96 -0.60 0.00 0.00 178.31 180.18 2qou s ILE 45 N -2.61 -0.00 0.02 -0.55 -5.25 -0.76 -4.04 121.20 108.01 2qou s ILE 45 Ca -0.10 0.02 -0.05 0.00 -0.99 0.00 0.00 60.65 59.52 2qou s ILE 45 Cb 0.06 -0.02 -0.02 0.00 2.95 0.00 0.00 42.46 45.44 2qou s ILE 45 CO 0.86 0.01 1.09 -0.33 -1.79 0.00 0.00 174.94 174.77 2qou h GLU 46 N 6.23 -0.04 0.00 0.37 4.39 -1.73 -3.37 114.58 120.44 2qou h GLU 46 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2qou h GLU 46 Cb 1.20 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2qou h GLU 46 CO 0.50 -0.02 0.00 -3.47 -1.16 0.00 0.00 179.01 174.86 2qou n ASP 47 N -3.22 0.00 -1.23 1.42 4.64 -1.26 -4.89 116.55 112.02 2qou n ASP 47 Ca -0.00 0.00 -0.00 0.00 -1.38 0.00 0.00 54.79 53.40 2qou n ASP 47 Cb 0.05 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.13 2qou n ASP 47 CO 0.00 0.00 0.00 2.22 -0.82 0.00 0.00 177.20 178.60 2qou n PHE 48 N 0.00 -0.74 -3.64 -0.67 -1.74 -1.25 -1.28 117.46 108.13 2qou n PHE 48 Ca 0.00 -0.14 -0.03 0.00 -0.56 0.00 0.00 57.45 56.72 2qou n PHE 48 Cb 0.00 0.07 -0.07 0.00 1.52 0.00 0.00 39.48 41.00 2qou n PHE 48 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 2qou s LYS 49 N -2.01 0.41 -1.23 3.97 2.47 -1.22 -4.85 119.74 117.28 2qou s LYS 49 Ca 0.02 0.68 -0.06 0.00 -1.56 0.00 0.00 55.97 55.05 2qou s LYS 49 Cb -0.00 0.09 0.06 0.00 -1.46 0.00 0.00 37.83 36.51 2qou s LYS 49 CO 0.01 -0.08 2.60 1.55 0.16 0.00 0.00 175.35 179.58 2qou n VAL 50 N 3.60 4.76 -1.23 4.02 3.14 -1.26 0.32 118.33 131.69 2qou n VAL 50 Ca -0.18 -3.72 -0.34 0.00 -2.96 0.00 0.00 64.34 57.14 2qou n VAL 50 Cb 0.58 -2.12 0.12 0.00 -1.06 0.00 0.00 33.84 31.35 2qou n VAL 50 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2qou n GLU 51 N 2.02 0.36 -0.82 1.45 2.13 -0.10 -4.59 120.64 121.09 2qou n GLU 51 Ca 0.63 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.65 2qou n GLU 51 Cb 0.30 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.55 2qou n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qou n GLY 52 N 0.61 -1.85 0.07 8.31 0.00 -1.26 0.13 105.19 111.21 2qou n GLY 52 Ca 0.14 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 2qou n GLY 52 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2qou h ASP 53 N 0.00 -0.02 0.63 1.61 1.82 -1.99 -3.29 116.42 115.18 2qou h ASP 53 Ca 0.00 -0.73 -0.03 0.00 -0.39 0.00 0.00 57.03 55.88 2qou h ASP 53 Cb 0.00 0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.02 2qou h ASP 53 CO 0.00 0.77 -0.30 0.00 -1.61 0.00 0.00 179.24 178.10 2qou h THR 54 N -0.88 0.00 -3.30 2.25 1.03 -1.99 -3.41 112.91 106.61 2qou h THR 54 Ca -0.00 -0.07 -0.66 0.00 -0.01 0.00 0.00 66.41 65.67 2qou h THR 54 Cb 0.75 0.00 -0.30 0.00 -1.07 0.00 0.00 68.15 67.54 2qou h THR 54 CO 0.00 0.00 -0.77 -0.54 -0.01 0.00 0.00 175.52 174.21 2qou s LYS 55 N -4.67 3.27 0.39 0.00 -0.14 -1.26 -5.10 119.74 112.23 2qou s LYS 55 Ca -0.12 -0.69 -0.27 0.00 -1.36 0.00 0.00 55.97 53.53 2qou s LYS 55 Cb 0.01 -2.86 -0.09 0.00 -1.68 0.00 0.00 37.83 33.21 2qou s LYS 55 CO 0.37 -0.17 1.34 -1.25 -0.76 0.00 0.00 175.35 174.88 2qou s PRO 56 N 1.34 4.02 -0.15 -1.68 0.04 -1.24 -4.30 135.00 133.04 2qou s PRO 56 Ca 0.04 2.25 -0.04 0.00 0.04 0.00 0.00 61.00 63.29 2qou s PRO 56 Cb -0.14 -2.83 0.07 0.00 0.04 0.00 0.00 34.50 31.64 2qou s PRO 56 CO -0.05 -0.48 0.17 -1.21 0.04 0.00 0.00 177.00 175.47 2qou s GLU 57 N -2.17 0.10 -0.29 4.56 2.02 0.12 -3.22 118.70 119.83 2qou s GLU 57 Ca 0.55 0.31 -0.27 0.00 0.02 0.00 0.00 54.97 55.58 2qou s GLU 57 Cb -0.40 -0.92 0.01 0.00 0.10 0.00 0.00 34.13 32.91 2qou s GLU 57 CO 0.52 -0.51 0.94 -1.17 0.02 0.00 0.00 175.26 175.06 2qou s LEU 58 N 2.28 4.03 -1.11 1.80 0.20 0.10 -0.92 118.68 125.06 2qou s LEU 58 Ca 0.04 0.98 -0.05 0.00 0.69 0.00 0.00 54.13 55.79 2qou s LEU 58 Cb -0.14 -3.34 0.09 0.00 -0.43 0.00 0.00 46.19 42.37 2qou s LEU 58 CO -0.09 -0.71 2.52 -0.62 -0.29 0.00 0.00 176.35 177.17 2qou n GLU 59 N 6.43 4.02 -1.72 1.98 1.02 0.15 -3.50 120.64 129.03 2qou n GLU 59 Ca 0.08 -3.12 -0.39 0.00 -0.02 0.00 0.00 57.16 53.71 2qou n GLU 59 Cb 0.47 -2.51 -0.03 0.00 -0.02 0.00 0.00 31.44 29.35 2qou n GLU 59 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2qou s LEU 60 N -2.03 3.41 -0.52 -4.62 2.96 -0.91 -3.44 118.68 113.53 2qou s LEU 60 Ca 0.56 1.20 -0.28 0.00 -0.22 0.00 0.00 54.13 55.38 2qou s LEU 60 Cb 0.23 -2.92 0.02 0.00 0.50 0.00 0.00 46.19 44.02 2qou s LEU 60 CO -0.12 -2.39 1.31 0.42 -1.32 0.00 0.00 176.35 174.25 2qou s THR 61 N 9.89 3.95 0.37 3.68 -4.23 -0.41 -0.20 115.64 128.69 2qou s THR 61 Ca 0.91 0.89 -0.27 0.00 -1.18 0.00 0.00 61.69 62.03 2qou s THR 61 Cb -0.21 -4.49 -0.11 0.00 1.34 0.00 0.00 72.50 69.02 2qou s THR 61 CO 0.29 -1.10 1.28 0.18 -0.54 0.00 0.00 174.62 174.73 2qou n LEU 62 N 8.81 3.72 -4.50 4.79 4.32 -0.93 -2.50 117.00 130.70 2qou n LEU 62 Ca 0.12 1.17 -0.33 0.00 -0.02 0.00 0.00 56.01 56.95 2qou n LEU 62 Cb 0.49 -1.49 -0.12 0.00 -1.62 0.00 0.00 43.42 40.67 2qou n LEU 62 CO 0.71 -0.53 -0.40 -0.75 -1.22 0.00 0.00 177.39 175.19 2qou s LYS 63 N -1.99 2.96 0.35 3.23 2.20 -1.26 -4.56 119.74 120.67 2qou s LYS 63 Ca 0.57 -0.60 0.05 0.00 -0.36 0.00 0.00 55.97 55.63 2qou s LYS 63 Cb -0.55 -2.60 -0.07 0.00 -1.51 0.00 0.00 37.83 33.10 2qou s LYS 63 CO 0.61 0.50 0.04 0.71 -0.36 0.00 0.00 175.35 176.85 2qou s TYR 64 N -0.38 2.15 0.00 4.03 1.51 -1.26 -1.87 117.35 121.53 2qou s TYR 64 Ca 0.05 -0.85 0.00 0.00 -1.01 0.00 0.00 57.07 55.26 2qou s TYR 64 Cb -0.12 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 2qou s TYR 64 CO 0.02 0.17 0.00 0.34 -1.11 0.00 0.00 175.55 174.97 2qou n PHE 65 N -0.77 0.00 0.00 2.71 7.35 -0.18 -4.54 117.46 122.03 2qou n PHE 65 Ca -0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 2qou n PHE 65 Cb 0.67 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.50 2qou n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2qou n GLN 66 N 0.00 0.00 -0.64 -4.13 6.02 -1.26 -4.55 117.38 112.82 2qou n GLN 66 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 2qou n GLN 66 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 2qou n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qou n GLY 67 N 2.53 2.47 3.63 1.08 0.00 -1.26 -4.71 105.19 108.93 2qou n GLY 67 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 2qou n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qou s LYS 68 N 0.73 0.12 0.77 1.61 2.47 -1.26 -5.17 119.74 119.02 2qou s LYS 68 Ca 0.27 -0.01 -0.11 0.00 -1.56 0.00 0.00 55.97 54.56 2qou s LYS 68 Cb 0.13 0.06 0.05 0.00 -1.46 0.00 0.00 37.83 36.61 2qou s LYS 68 CO 0.00 -0.05 1.08 0.00 0.16 0.00 0.00 175.35 176.54 2qou s ALA 69 N -1.62 2.30 0.00 3.13 0.00 -1.26 -1.01 121.76 123.30 2qou s ALA 69 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2qou s ALA 69 Cb -0.01 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.93 2qou s ALA 69 CO -0.05 -1.65 0.48 0.28 0.00 0.00 0.00 175.76 174.82 2qou n VAL 70 N -3.41 0.00 -0.88 0.00 0.31 -0.78 -4.49 118.33 109.07 2qou n VAL 70 Ca 0.08 0.88 -0.33 0.00 -0.01 0.00 0.00 64.34 64.96 2qou n VAL 70 Cb 0.54 -1.69 0.13 0.00 -0.91 0.00 0.00 33.84 31.91 2qou n VAL 70 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2qou n VAL 71 N -1.03 0.63 -1.12 2.52 0.31 -1.26 -4.91 118.33 113.46 2qou n VAL 71 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2qou n VAL 71 Cb 0.00 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 2qou n VAL 71 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2qou n GLU 72 N -2.55 0.00 -3.04 5.55 0.00 -1.26 -5.04 120.64 114.29 2qou n GLU 72 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.10 2qou n GLU 72 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.93 2qou n GLU 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2qou n SER 73 N 0.00 -1.66 -3.90 -1.84 2.88 -1.26 -5.04 113.62 102.80 2qou n SER 73 Ca 0.00 -2.78 -0.30 0.00 -1.33 0.00 0.00 58.87 54.46 2qou n SER 73 Cb 0.11 0.55 -0.14 0.00 -0.75 0.00 0.00 64.21 63.97 2qou n SER 73 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 2qou s ILE 74 N 0.15 2.16 0.17 2.46 2.07 -1.26 -1.77 121.20 125.17 2qou s ILE 74 Ca 0.32 -2.85 0.11 0.00 -1.41 0.00 0.00 60.65 56.82 2qou s ILE 74 Cb 0.09 -2.53 -0.04 0.00 0.13 0.00 0.00 42.46 40.11 2qou s ILE 74 CO -0.15 -0.77 -0.24 -1.10 -1.91 0.00 0.00 174.94 170.76 2qou s GLN 75 N 0.19 1.50 0.88 3.50 1.11 -1.26 -4.73 119.66 120.85 2qou s GLN 75 Ca 0.16 -1.45 -0.11 0.00 0.01 0.00 0.00 55.36 53.96 2qou s GLN 75 Cb -0.24 -1.88 0.12 0.00 -1.01 0.00 0.00 33.01 30.00 2qou s GLN 75 CO -0.03 0.42 1.09 0.50 0.01 0.00 0.00 175.29 177.28 2qou s ARG 76 N -2.45 1.41 0.00 2.91 6.06 -1.26 -2.71 118.95 122.92 2qou s ARG 76 Ca 0.18 0.79 0.00 0.00 -2.50 0.00 0.00 55.73 54.20 2qou s ARG 76 Cb -0.09 -1.83 0.00 0.00 0.06 0.00 0.00 34.95 33.09 2qou s ARG 76 CO 0.09 -2.13 0.00 0.28 -2.50 0.00 0.00 175.30 171.04 2qou n VAL 77 N -3.80 0.00 -0.52 7.11 0.31 0.96 -4.80 118.33 117.59 2qou n VAL 77 Ca 0.07 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.33 2qou n VAL 77 Cb 0.55 -0.13 -0.08 0.00 -0.91 0.00 0.00 33.84 33.27 2qou n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qou n SER 78 N -0.89 2.82 -4.23 4.52 2.88 -1.25 -4.91 113.62 112.55 2qou n SER 78 Ca 0.00 -2.02 -0.34 0.00 -1.33 0.00 0.00 58.87 55.17 2qou n SER 78 Cb 0.00 -0.75 0.08 0.00 -0.75 0.00 0.00 64.21 62.79 2qou n SER 78 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2qou n ARG 79 N 2.90 -0.13 -0.92 -1.46 1.85 -1.26 -4.44 116.66 113.19 2qou n ARG 79 Ca 0.23 -0.02 -0.31 0.00 -1.00 0.00 0.00 57.85 56.76 2qou n ARG 79 Cb 0.43 -1.47 0.14 0.00 -1.05 0.00 0.00 32.46 30.51 2qou n ARG 79 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2qou s PRO 80 N -2.84 1.36 -0.63 2.89 0.04 -1.26 -2.46 135.00 132.10 2qou s PRO 80 Ca 0.50 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2qou s PRO 80 Cb -0.21 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2qou s PRO 80 CO 0.74 -2.32 0.00 0.41 0.04 0.00 0.00 177.00 175.87 2qou n GLY 81 N -0.36 0.56 2.55 0.56 0.00 -1.26 -4.61 105.19 102.63 2qou n GLY 81 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 2qou n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qou n LEU 82 N -0.68 -1.41 -4.56 0.99 -0.00 -1.03 -5.15 117.00 105.17 2qou n LEU 82 Ca -0.06 -2.95 -0.37 0.00 -0.00 0.00 0.00 56.01 52.62 2qou n LEU 82 Cb 0.55 0.22 0.05 0.00 -0.00 0.00 0.00 43.42 44.24 2qou n LEU 82 CO 0.09 1.65 0.35 0.54 -0.00 0.00 0.00 177.39 180.03 2qou n ARG 83 N -1.06 0.68 -3.86 1.96 5.12 -1.10 -4.11 116.66 114.29 2qou n ARG 83 Ca -0.13 0.27 -0.21 0.00 -1.93 0.00 0.00 57.85 55.85 2qou n ARG 83 Cb 0.82 -2.00 -0.17 0.00 -1.16 0.00 0.00 32.46 29.94 2qou n ARG 83 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2qou s ILE 84 N -1.64 0.33 -0.11 0.55 1.01 -1.26 -4.99 121.20 115.08 2qou s ILE 84 Ca 0.73 0.10 0.01 0.00 0.00 0.00 0.00 60.65 61.48 2qou s ILE 84 Cb -0.41 -0.46 0.02 0.00 0.01 0.00 0.00 42.46 41.62 2qou s ILE 84 CO 0.50 0.23 -0.11 -0.31 0.00 0.00 0.00 174.94 175.24 2qou s TYR 85 N 1.62 1.71 0.33 3.97 1.51 -1.26 -2.64 117.35 122.57 2qou s TYR 85 Ca -0.01 -0.84 0.08 0.00 -1.01 0.00 0.00 57.07 55.30 2qou s TYR 85 Cb -0.13 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 2qou s TYR 85 CO -0.03 -0.50 0.11 0.15 -1.11 0.00 0.00 175.55 174.16 2qou s LYS 86 N 1.37 2.34 0.61 -0.62 -0.14 -1.07 -4.98 119.74 117.25 2qou s LYS 86 Ca -0.00 -1.54 -0.05 0.00 -1.36 0.00 0.00 55.97 53.02 2qou s LYS 86 Cb -0.14 -2.15 0.02 0.00 -1.68 0.00 0.00 37.83 33.88 2qou s LYS 86 CO -0.06 0.16 0.92 1.03 -0.76 0.00 0.00 175.35 176.64 2qou s ARG 87 N -3.80 2.71 0.56 1.68 0.52 -1.26 -2.45 118.95 116.91 2qou s ARG 87 Ca 0.36 -0.13 0.26 0.00 -0.52 0.00 0.00 55.73 55.70 2qou s ARG 87 Cb -0.03 -2.27 1.64 0.00 0.52 0.00 0.00 34.95 34.82 2qou s ARG 87 CO 0.22 -0.83 2.21 1.57 0.02 0.00 0.00 175.30 178.49 2qou h LYS 88 N -0.25 0.00 -0.01 3.54 2.10 -1.90 0.44 116.57 120.48 2qou h LYS 88 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2qou h LYS 88 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2qou h LYS 88 CO 0.60 0.02 -0.18 -0.40 -2.00 0.00 0.00 179.45 177.49 2qou n ASP 89 N -3.98 1.54 -0.09 7.07 5.68 -1.26 -4.37 116.55 121.14 2qou n ASP 89 Ca -0.03 -1.29 -0.10 0.00 -0.50 0.00 0.00 54.79 52.87 2qou n ASP 89 Cb 0.11 0.13 -0.04 0.00 -1.14 0.00 0.00 41.12 40.18 2qou n ASP 89 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2qou n GLU 90 N -0.09 0.52 0.00 0.11 4.07 0.14 -4.98 120.64 120.41 2qou n GLU 90 Ca 0.14 0.31 0.00 0.00 -0.06 0.00 0.00 57.16 57.55 2qou n GLU 90 Cb 0.40 -1.52 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 2qou n GLU 90 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2qou n LEU 91 N -4.48 0.00 -4.67 4.31 4.77 -0.37 -4.85 117.00 111.71 2qou n LEU 91 Ca -0.17 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.52 2qou n LEU 91 Cb 0.50 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.78 2qou n LEU 91 CO 0.16 0.00 0.66 -2.16 -1.33 0.00 0.00 177.39 174.72 2qou s PRO 92 N 0.00 -0.16 -0.31 3.23 0.04 -1.26 -5.04 135.00 131.50 2qou s PRO 92 Ca 0.00 0.17 0.03 0.00 0.04 0.00 0.00 61.00 61.24 2qou s PRO 92 Cb 0.00 -1.70 0.08 0.00 0.04 0.00 0.00 34.50 32.92 2qou s PRO 92 CO 0.00 -3.05 0.00 0.15 0.04 0.00 0.00 177.00 174.14 2qou s LYS 93 N -5.25 1.88 0.26 4.56 1.02 -1.26 -4.84 119.74 116.10 2qou s LYS 93 Ca 0.68 -1.63 -0.31 0.00 0.02 0.00 0.00 55.97 54.73 2qou s LYS 93 Cb -0.14 -3.13 -0.13 0.00 -0.52 0.00 0.00 37.83 33.92 2qou s LYS 93 CO 0.56 -0.79 1.46 0.28 -0.92 0.00 0.00 175.35 175.93 2qou n VAL 94 N 4.38 1.00 -4.04 3.17 0.31 -1.26 -2.67 118.33 119.23 2qou n VAL 94 Ca -0.04 -0.25 -0.27 0.00 -0.01 0.00 0.00 64.34 63.77 2qou n VAL 94 Cb 0.42 -1.61 -0.04 0.00 -0.91 0.00 0.00 33.84 31.70 2qou n VAL 94 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2qou n MET 95 N 2.02 -2.75 -1.62 5.55 0.00 -1.26 -0.36 117.12 118.70 2qou n MET 95 Ca 0.11 0.33 -0.12 0.00 -0.00 0.00 0.00 57.70 58.01 2qou n MET 95 Cb 0.33 -4.31 -0.04 0.00 0.00 0.00 0.00 33.22 29.20 2qou n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qou n ALA 96 N -4.44 -0.33 0.00 -5.12 0.00 -1.09 -1.52 120.51 108.00 2qou n ALA 96 Ca -0.32 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2qou n ALA 96 Cb 0.69 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2qou n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qou n GLY 97 N -0.37 3.12 0.32 0.00 0.00 0.51 -4.93 105.19 103.85 2qou n GLY 97 Ca -0.13 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2qou n GLY 97 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qou h LEU 98 N 0.00 0.86-10.48 0.99 3.38 -1.28 -3.43 115.31 105.34 2qou h LEU 98 Ca 0.00 0.01 -0.47 0.00 0.09 0.00 0.00 57.88 57.51 2qou h LEU 98 Cb 0.00 -0.17 0.07 0.00 0.09 0.00 0.00 40.66 40.65 2qou h LEU 98 CO 0.00 0.56 0.24 -0.83 0.09 0.00 0.00 178.44 178.50 2qou s GLY 99 N -3.15 1.63 0.12 0.83 0.00 -0.40 -4.94 107.32 101.41 2qou s GLY 99 Ca -0.13 -0.68 0.10 0.00 0.00 0.00 0.00 44.72 44.01 2qou s GLY 99 CO 0.79 -0.35 -0.22 -0.26 0.00 0.00 0.00 173.10 173.07 2qou s ILE 100 N -3.15 2.60 -0.25 0.90 -5.25 0.27 -4.03 121.20 112.30 2qou s ILE 100 Ca 0.57 -1.61 -0.01 0.00 -0.99 0.00 0.00 60.65 58.61 2qou s ILE 100 Cb -0.11 -2.18 0.04 0.00 2.95 0.00 0.00 42.46 43.16 2qou s ILE 100 CO 0.46 0.10 -0.07 0.00 -1.79 0.00 0.00 174.94 173.64 2qou s ALA 101 N -1.11 2.66 -0.31 2.27 0.00 -1.26 -2.73 121.76 121.28 2qou s ALA 101 Ca 0.16 -1.54 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 2qou s ALA 101 Cb -0.10 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.36 2qou s ALA 101 CO 0.08 -0.91 1.09 0.08 0.00 0.00 0.00 175.76 176.10 2qou s VAL 102 N 1.27 4.49 -0.05 0.00 1.01 -0.92 -1.01 120.40 125.19 2qou s VAL 102 Ca -0.02 1.72 0.02 0.00 0.00 0.00 0.00 61.98 63.70 2qou s VAL 102 Cb -0.17 -4.39 0.01 0.00 0.00 0.00 0.00 36.38 31.83 2qou s VAL 102 CO -0.05 -0.46 -0.11 -0.69 0.00 0.00 0.00 175.10 173.80 2qou s VAL 103 N 3.67 0.99 -0.13 2.92 1.01 -1.06 -0.13 120.40 127.67 2qou s VAL 103 Ca 0.46 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 2qou s VAL 103 Cb -0.13 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2qou s VAL 103 CO 0.15 0.32 0.77 -0.55 0.00 0.00 0.00 175.10 175.79 2qou s SER 104 N 0.62 6.96 0.44 3.32 0.15 0.18 -2.24 113.70 123.13 2qou s SER 104 Ca -0.12 1.17 0.06 0.00 0.70 0.00 0.00 55.95 57.75 2qou s SER 104 Cb -0.15 -2.43 -0.05 0.00 -1.71 0.00 0.00 66.02 61.68 2qou s SER 104 CO 0.03 -0.28 0.06 0.42 1.20 0.00 0.00 173.24 174.66 2qou s THR 105 N 1.61 1.84 -1.66 6.45 -4.23 -1.02 -1.34 115.64 117.27 2qou s THR 105 Ca 0.38 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 2qou s THR 105 Cb -0.17 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 70.92 2qou s THR 105 CO 0.15 0.00 0.64 -0.24 -0.54 0.00 0.00 174.62 174.63 2qou n SER 106 N -1.13 0.26 -0.14 3.99 2.88 -1.26 -2.11 113.62 116.10 2qou n SER 106 Ca -0.08 -1.54 0.01 0.00 -1.33 0.00 0.00 58.87 55.93 2qou n SER 106 Cb 0.66 -0.13 0.02 0.00 -0.75 0.00 0.00 64.21 64.01 2qou n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qou n LYS 107 N -0.29 0.72 0.00 -1.46 4.76 -1.26 -5.12 118.16 115.50 2qou n LYS 107 Ca 0.00 -1.06 0.00 0.00 -2.87 0.00 0.00 58.31 54.38 2qou n LYS 107 Cb 0.06 -0.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 2qou n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qou n GLY 108 N -0.26 3.26 3.56 0.72 0.00 -0.90 -4.93 105.19 106.64 2qou n GLY 108 Ca 0.02 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 2qou n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qou s VAL 109 N -2.45 3.61 0.00 1.61 1.01 -1.26 -2.45 120.40 120.47 2qou s VAL 109 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2qou s VAL 109 Cb 0.00 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2qou s VAL 109 CO 0.00 -1.26 0.00 0.23 0.00 0.00 0.00 175.10 174.07 2qou n MET 110 N 8.79 1.39 -4.17 2.72 2.00 -0.95 -4.84 117.12 122.06 2qou n MET 110 Ca 0.39 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.87 2qou n MET 110 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.64 2qou n MET 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2qou s THR 111 N 0.84 3.68 0.10 2.03 -4.23 -1.26 -2.55 115.64 114.25 2qou s THR 111 Ca 0.00 -1.68 -0.28 0.00 -1.18 0.00 0.00 61.69 58.55 2qou s THR 111 Cb 0.00 -3.07 -0.10 0.00 1.34 0.00 0.00 72.50 70.67 2qou s THR 111 CO 0.00 -0.32 1.46 -2.24 -0.54 0.00 0.00 174.62 172.99 2qou h ASP 112 N 1.66 -1.50 -0.99 3.99 2.03 -1.42 0.29 116.42 120.48 2qou h ASP 112 Ca -0.45 0.19 0.16 0.00 -0.73 0.00 0.00 57.03 56.19 2qou h ASP 112 Cb 1.25 0.60 -0.09 0.00 -0.83 0.00 0.00 39.33 40.25 2qou h ASP 112 CO 0.61 -0.38 0.62 -0.09 -1.03 0.00 0.00 179.24 178.96 2qou h ARG 113 N -0.43 0.79 0.65 4.15 2.43 -1.90 0.25 114.38 120.32 2qou h ARG 113 Ca 0.04 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2qou h ARG 113 Cb 0.55 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2qou h ARG 113 CO -0.42 0.52 -0.31 0.00 -1.51 0.00 0.00 179.97 178.25 2qou h ALA 114 N 1.60 -0.92 -0.58 2.80 0.00 -1.58 -2.88 119.26 117.70 2qou h ALA 114 Ca 0.53 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.27 2qou h ALA 114 Cb 0.75 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2qou h ALA 114 CO -0.30 -0.85 0.36 0.00 0.00 0.00 0.00 179.25 178.45 2qou h ALA 115 N -1.30 0.74 -0.00 0.00 0.00 -0.23 -2.11 119.26 116.36 2qou h ALA 115 Ca -0.09 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2qou h ALA 115 Cb 0.67 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2qou h ALA 115 CO 0.15 0.10 -0.53 -0.09 0.00 0.00 0.00 179.25 178.87 2qou h ARG 116 N 0.71 -0.64 -0.11 0.00 2.43 -0.58 -0.03 114.38 116.17 2qou h ARG 116 Ca 0.23 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.47 2qou h ARG 116 Cb -0.00 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2qou h ARG 116 CO -0.09 -0.43 0.08 1.96 -1.51 0.00 0.00 179.97 179.98 2qou h GLN 117 N -0.67 0.00 0.00 0.20 4.20 -1.41 0.12 115.11 117.55 2qou h GLN 117 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2qou h GLN 117 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 2qou h GLN 117 CO -0.36 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.80 2qou n ALA 118 N -2.55 1.41 -1.51 3.87 0.00 -0.07 -4.86 120.51 116.81 2qou n ALA 118 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2qou n ALA 118 Cb 0.20 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2qou n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qou n GLY 119 N -0.52 0.38 3.04 0.00 0.00 0.43 -5.05 105.19 103.45 2qou n GLY 119 Ca 0.01 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.96 2qou n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qou s LEU 120 N 0.00 2.37 0.46 0.99 2.34 -1.16 -4.90 118.68 118.78 2qou s LEU 120 Ca 0.00 -0.76 0.07 0.00 0.06 0.00 0.00 54.13 53.50 2qou s LEU 120 Cb 0.00 0.14 -0.01 0.00 -0.56 0.00 0.00 46.19 45.76 2qou s LEU 120 CO 0.00 -0.45 0.30 -0.83 -1.06 0.00 0.00 176.35 174.31 2qou s GLY 121 N -2.21 2.32 0.16 -3.48 0.00 -1.26 -4.17 107.32 98.68 2qou s GLY 121 Ca -0.04 -1.72 -0.21 0.00 0.00 0.00 0.00 44.72 42.75 2qou s GLY 121 CO -0.05 -1.87 0.99 0.61 0.00 0.00 0.00 173.10 172.77 2qou n GLY 122 N -1.50 0.61 3.72 0.20 0.00 -1.03 -4.66 105.19 102.53 2qou n GLY 122 Ca -0.01 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 2qou n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qou s GLU 123 N -2.04 4.44 0.93 1.61 2.12 -0.45 -2.61 118.70 122.69 2qou s GLU 123 Ca 0.22 1.79 -0.12 0.00 0.36 0.00 0.00 54.97 57.21 2qou s GLU 123 Cb -0.02 -3.33 0.15 0.00 0.26 0.00 0.00 34.13 31.18 2qou s GLU 123 CO 0.05 -0.24 1.12 0.42 -0.54 0.00 0.00 175.26 176.07 2qou s ILE 124 N 0.92 2.09 0.29 -3.70 1.01 -1.08 0.50 121.20 121.23 2qou s ILE 124 Ca 0.58 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.26 2qou s ILE 124 Cb -0.30 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.47 2qou s ILE 124 CO 0.30 -0.04 0.00 -0.38 0.00 0.00 0.00 174.94 174.82 2qou n ILE 125 N -3.86 0.00 -3.70 2.92 -0.00 0.81 -4.28 119.36 111.26 2qou n ILE 125 Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.71 2qou n ILE 125 Cb 0.58 -0.50 -0.05 0.00 -0.00 0.00 0.00 39.64 39.67 2qou n ILE 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2qou n TYR 127 N -0.21 3.27 -1.79 0.00 4.01 -1.10 -2.16 117.16 119.18 2qou n TYR 127 Ca -0.15 -2.85 -0.42 0.00 -0.16 0.00 0.00 57.90 54.32 2qou n TYR 127 Cb 0.63 -0.56 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 2qou n TYR 127 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2qou s VAL 128 N -5.26 3.23 -2.52 -0.72 1.01 -1.11 -4.64 120.40 110.39 2qou s VAL 128 Ca 0.49 0.27 0.20 0.00 0.00 0.00 0.00 61.98 62.94 2qou s VAL 128 Cb 0.40 -3.20 0.16 0.00 0.00 0.00 0.00 36.38 33.74 2qou s VAL 128 CO -0.27 -0.05 1.14 0.00 0.00 0.00 0.00 175.10 175.91