#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qdk n ASP 5 N 0.00 0.34 -4.31 -3.46 8.00 0.24 -4.93 116.55 112.44 2qdk n ASP 5 Ca 0.00 -0.06 -0.16 0.00 0.71 0.00 0.00 54.79 55.28 2qdk n ASP 5 Cb 0.00 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 40.93 2qdk n ASP 5 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2qdk s VAL 6 N -2.91 0.86 -0.01 2.53 -7.23 -1.25 -5.07 120.40 107.33 2qdk s VAL 6 Ca 0.15 -2.01 0.11 0.00 -1.81 0.00 0.00 61.98 58.42 2qdk s VAL 6 Cb 0.18 -2.34 -0.15 0.00 0.56 0.00 0.00 36.38 34.63 2qdk s VAL 6 CO 0.60 -0.30 1.10 -0.26 -0.31 0.00 0.00 175.10 175.93 2qdk h PHE 7 N 2.51 0.00 0.00 2.82 -1.00 -1.95 -3.41 116.94 115.91 2qdk h PHE 7 Ca -0.38 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.30 2qdk h PHE 7 Cb 1.22 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.76 2qdk h PHE 7 CO 0.55 0.84 -1.37 0.72 -1.61 0.00 0.00 178.31 177.43 2qdk n HIS 8 N -3.19 0.00 0.15 -0.55 8.25 -1.26 -4.82 115.22 113.81 2qdk n HIS 8 Ca -0.05 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.46 2qdk n HIS 8 Cb 0.91 -0.26 0.05 0.00 1.12 0.00 0.00 29.99 31.81 2qdk n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qdk h LEU 9 N 0.00 0.00 0.01 2.41 3.38 -1.93 -3.44 115.31 115.74 2qdk h LEU 9 Ca -0.15 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.64 2qdk h LEU 9 Cb 1.27 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.05 2qdk h LEU 9 CO -0.01 0.36 -0.28 0.61 0.09 0.00 0.00 178.44 179.22 2qdk n GLY 10 N 1.21 0.16 3.34 0.83 0.00 -1.26 -4.70 105.19 104.76 2qdk n GLY 10 Ca 0.02 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 2qdk n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qdk s LEU 11 N -3.34 2.45 0.28 0.99 1.43 -1.26 -4.83 118.68 114.40 2qdk s LEU 11 Ca 0.15 -0.88 0.11 0.00 -1.03 0.00 0.00 54.13 52.48 2qdk s LEU 11 Cb -0.07 -0.81 -0.05 0.00 0.03 0.00 0.00 46.19 45.29 2qdk s LEU 11 CO 0.19 -0.05 -0.10 0.42 0.23 0.00 0.00 176.35 177.04 2qdk s THR 12 N -2.16 2.93 0.27 5.49 -4.23 -1.26 -0.59 115.64 116.10 2qdk s THR 12 Ca 0.17 -2.17 -0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2qdk s THR 12 Cb -0.05 -2.57 0.25 0.00 1.34 0.00 0.00 72.50 71.47 2qdk s THR 12 CO 0.07 -0.38 1.78 0.11 -0.54 0.00 0.00 174.62 175.65 2qdk h LYS 13 N 2.08 0.67 -0.82 3.99 1.57 -1.95 -1.27 116.57 120.83 2qdk h LYS 13 Ca -0.42 -0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.42 2qdk h LYS 13 Cb 1.25 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.34 2qdk h LYS 13 CO 0.60 0.44 0.47 -0.97 -0.57 0.00 0.00 179.45 179.43 2qdk h ASN 14 N 0.69 0.67 -0.70 0.86 -1.24 -1.95 -2.06 115.58 111.85 2qdk h ASN 14 Ca 0.47 0.05 0.13 0.00 0.71 0.00 0.00 56.30 57.67 2qdk h ASN 14 Cb 0.64 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.56 2qdk h ASN 14 CO -0.34 0.38 0.47 0.44 -1.29 0.00 0.00 177.43 177.09 2qdk h ASP 15 N 0.79 0.37 1.06 1.15 3.45 -1.63 -1.43 116.42 120.19 2qdk h ASP 15 Ca 0.40 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.88 2qdk h ASP 15 Cb 0.37 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 2qdk h ASP 15 CO -0.25 0.20 0.00 -0.07 -1.57 0.00 0.00 179.24 177.55 2qdk h LEU 16 N 0.40 0.00 -1.83 1.55 4.07 -1.39 -3.47 115.31 114.64 2qdk h LEU 16 Ca 0.34 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.78 2qdk h LEU 16 Cb 0.77 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.41 2qdk h LEU 16 CO -0.10 0.00 -0.89 0.00 -1.08 0.00 0.00 178.44 176.37 2qdk n GLN 17 N -2.58 -2.98 -1.00 1.13 6.02 -0.54 -1.25 117.38 116.17 2qdk n GLN 17 Ca 0.02 0.36 -0.00 0.00 -0.01 0.00 0.00 57.00 57.37 2qdk n GLN 17 Cb 0.31 -4.48 -0.00 0.00 1.02 0.00 0.00 30.24 27.09 2qdk n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qdk n GLY 18 N -1.99 0.47 3.77 1.08 0.00 -1.26 -4.62 105.19 102.64 2qdk n GLY 18 Ca -0.26 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 2qdk n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qdk s ALA 19 N -1.97 3.54 0.00 4.61 0.00 -0.38 -4.80 121.76 122.75 2qdk s ALA 19 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.34 2qdk s ALA 19 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2qdk s ALA 19 CO 0.00 -0.79 0.33 1.04 0.00 0.00 0.00 175.76 176.34 2qdk n GLN 20 N 0.85 -0.50 -4.41 0.00 6.02 -1.26 -4.27 117.38 113.82 2qdk n GLN 20 Ca 0.01 -0.33 -0.20 0.00 -0.01 0.00 0.00 57.00 56.47 2qdk n GLN 20 Cb 0.41 -0.83 -0.15 0.00 1.02 0.00 0.00 30.24 30.69 2qdk n GLN 20 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2qdk s LEU 21 N -0.05 1.92 -0.04 1.08 0.20 -1.26 -0.60 118.68 119.94 2qdk s LEU 21 Ca 0.00 -0.18 0.03 0.00 0.69 0.00 0.00 54.13 54.67 2qdk s LEU 21 Cb 0.00 -0.53 0.00 0.00 -0.43 0.00 0.00 46.19 45.23 2qdk s LEU 21 CO 0.00 0.10 -0.12 0.00 -0.29 0.00 0.00 176.35 176.04 2qdk s ALA 22 N -0.05 1.09 -0.18 5.97 0.00 0.07 -1.69 121.76 126.97 2qdk s ALA 22 Ca 0.01 -0.43 -0.14 0.00 0.00 0.00 0.00 51.96 51.39 2qdk s ALA 22 Cb -0.06 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2qdk s ALA 22 CO -0.00 0.17 0.31 0.42 0.00 0.00 0.00 175.76 176.66 2qdk s ILE 23 N 0.22 5.28 -0.51 0.00 1.01 0.25 -1.02 121.20 126.43 2qdk s ILE 23 Ca -0.05 0.56 0.03 0.00 0.00 0.00 0.00 60.65 61.20 2qdk s ILE 23 Cb -0.10 -3.65 0.14 0.00 0.01 0.00 0.00 42.46 38.86 2qdk s ILE 23 CO 0.01 0.35 0.30 0.68 0.00 0.00 0.00 174.94 176.28 2qdk s VAL 24 N 0.74 2.00 0.85 2.92 -7.23 0.66 -1.74 120.40 118.61 2qdk s VAL 24 Ca 0.16 -3.14 -0.12 0.00 -1.81 0.00 0.00 61.98 57.07 2qdk s VAL 24 Cb -0.13 -2.37 0.10 0.00 0.56 0.00 0.00 36.38 34.54 2qdk s VAL 24 CO 0.05 -0.91 1.16 -2.16 -0.31 0.00 0.00 175.10 172.93 2qdk s PRO 25 N -0.22 1.62 -0.03 4.82 0.04 -1.24 -3.64 135.00 136.35 2qdk s PRO 25 Ca 0.20 0.20 -0.19 0.00 0.04 0.00 0.00 61.00 61.24 2qdk s PRO 25 Cb -0.19 -1.90 -0.33 0.00 0.04 0.00 0.00 34.50 32.12 2qdk s PRO 25 CO -0.04 -1.85 0.90 0.78 0.04 0.00 0.00 177.00 176.82 2qdk h GLY 26 N -1.24 0.43 -6.99 0.56 0.00 -1.84 -0.29 103.07 93.70 2qdk h GLY 26 Ca -0.48 -1.11 -0.62 0.00 0.00 0.00 0.00 47.33 45.12 2qdk h GLY 26 CO 0.64 0.97 -0.23 -0.35 0.00 0.00 0.00 176.54 177.58 2qdk s ASP 27 N -7.19 6.31 0.55 0.19 -1.08 -1.26 -0.67 116.67 113.51 2qdk s ASP 27 Ca -0.13 0.36 0.35 0.00 -0.52 0.00 0.00 52.55 52.61 2qdk s ASP 27 Cb 0.02 -2.21 1.52 0.00 -1.46 0.00 0.00 42.92 40.79 2qdk s ASP 27 CO 0.87 -0.14 1.81 -0.65 0.52 0.00 0.00 175.17 177.57 2qdk h PRO 28 N 7.89 0.00 0.00 4.34 0.11 -1.90 -0.89 132.00 141.55 2qdk h PRO 28 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2qdk h PRO 28 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2qdk h PRO 28 CO 0.67 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.85 2qdk n GLU 29 N -4.14 0.93 -0.00 1.05 1.02 -1.26 -2.59 120.64 115.65 2qdk n GLU 29 Ca 0.23 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.47 2qdk n GLU 29 Cb 1.18 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.98 2qdk n GLU 29 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2qdk n ARG 30 N -1.03 0.68 0.43 3.49 5.12 -0.34 -4.64 116.66 120.37 2qdk n ARG 30 Ca 0.23 -0.04 -0.18 0.00 -1.93 0.00 0.00 57.85 55.92 2qdk n ARG 30 Cb 0.12 -1.41 -0.09 0.00 -1.16 0.00 0.00 32.46 29.92 2qdk n ARG 30 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2qdk h VAL 31 N 0.00 0.00 -1.00 1.55 2.07 -1.59 -1.83 116.25 115.45 2qdk h VAL 31 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2qdk h VAL 31 Cb 0.56 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.26 2qdk h VAL 31 CO 0.00 0.00 0.65 -0.08 0.02 0.00 0.00 177.57 178.16 2qdk h GLU 32 N -1.15 1.11 -0.91 1.57 4.81 -1.83 -0.45 114.58 117.74 2qdk h GLU 32 Ca -0.11 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.12 2qdk h GLU 32 Cb 0.91 -0.25 -0.06 0.00 0.63 0.00 0.00 28.75 29.97 2qdk h GLU 32 CO 0.14 0.74 0.57 0.87 -0.73 0.00 0.00 179.01 180.60 2qdk h LYS 33 N 1.15 1.02 -0.10 1.92 6.56 -1.78 -0.37 116.57 124.97 2qdk h LYS 33 Ca 0.44 -0.06 -0.08 0.00 -1.06 0.00 0.00 60.65 59.89 2qdk h LYS 33 Cb 0.21 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.65 2qdk h LYS 33 CO -0.18 0.67 -0.24 0.82 -2.06 0.00 0.00 179.45 178.45 2qdk h ILE 34 N 1.05 1.40 -0.03 1.86 2.04 -0.44 -3.20 117.51 120.19 2qdk h ILE 34 Ca 0.39 -1.57 0.01 0.00 1.00 0.00 0.00 64.86 64.70 2qdk h ILE 34 Cb 0.16 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 2qdk h ILE 34 CO -0.17 0.45 0.02 0.00 0.00 0.00 0.00 178.15 178.45 2qdk h ALA 35 N 0.49 1.97 0.00 1.87 0.00 -0.79 -2.35 119.26 120.45 2qdk h ALA 35 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qdk h ALA 35 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2qdk h ALA 35 CO 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 179.25 179.26 2qdk h ALA 36 N 1.99 1.01 0.00 0.00 0.00 -1.06 -1.24 119.26 119.95 2qdk h ALA 36 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qdk h ALA 36 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2qdk h ALA 36 CO -0.00 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2qdk n LEU 37 N -3.11 0.00 -4.72 0.00 4.77 -0.88 -4.81 117.00 108.25 2qdk n LEU 37 Ca -0.00 0.43 -0.27 0.00 -0.03 0.00 0.00 56.01 56.14 2qdk n LEU 37 Cb 0.27 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 40.85 2qdk n LEU 37 CO 0.26 -0.15 -0.20 -0.04 -1.33 0.00 0.00 177.39 175.93 2qdk s MET 38 N -2.86 2.14 0.46 3.23 -1.94 -0.47 -5.13 119.30 114.73 2qdk s MET 38 Ca 0.12 -2.03 -0.17 0.00 -1.71 0.00 0.00 55.69 51.90 2qdk s MET 38 Cb 0.13 -1.81 -0.09 0.00 2.01 0.00 0.00 34.83 35.07 2qdk s MET 38 CO 0.33 -0.17 0.93 -0.51 -0.01 0.00 0.00 175.02 175.59 2qdk s ASP 39 N -3.87 6.72 -1.42 3.03 1.01 -0.71 -4.30 116.67 117.14 2qdk s ASP 39 Ca 0.33 1.54 -0.01 0.00 0.71 0.00 0.00 52.55 55.12 2qdk s ASP 39 Cb 0.05 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.50 2qdk s ASP 39 CO 0.18 -0.47 0.40 0.29 0.21 0.00 0.00 175.17 175.78 2qdk n LYS 40 N -1.16 -3.15 -2.16 8.23 4.01 -1.26 -0.68 118.16 121.98 2qdk n LYS 40 Ca 0.06 0.38 -0.42 0.00 -0.51 0.00 0.00 58.31 57.82 2qdk n LYS 40 Cb 0.54 -4.49 -0.03 0.00 -0.51 0.00 0.00 35.03 30.54 2qdk n LYS 40 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2qdk s PRO 41 N -6.61 4.31 0.00 1.97 0.04 -1.26 -4.45 135.00 128.99 2qdk s PRO 41 Ca 0.02 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.15 2qdk s PRO 41 Cb -0.01 -3.31 -0.00 0.00 0.04 0.00 0.00 34.50 31.21 2qdk s PRO 41 CO 0.90 -0.48 -0.04 0.14 0.04 0.00 0.00 177.00 177.56 2qdk s VAL 42 N 1.38 0.29 0.37 -0.36 -7.23 0.41 -4.99 120.40 110.26 2qdk s VAL 42 Ca 0.65 -0.21 -0.26 0.00 -1.81 0.00 0.00 61.98 60.35 2qdk s VAL 42 Cb -0.36 -0.26 -0.09 0.00 0.56 0.00 0.00 36.38 36.23 2qdk s VAL 42 CO 0.30 0.04 1.09 -0.75 -0.31 0.00 0.00 175.10 175.47 2qdk s LYS 43 N -0.19 4.25 -0.11 4.82 2.20 -1.26 -0.65 119.74 128.80 2qdk s LYS 43 Ca 0.00 1.67 -0.09 0.00 -0.36 0.00 0.00 55.97 57.19 2qdk s LYS 43 Cb -0.02 -2.74 -0.05 0.00 -1.51 0.00 0.00 37.83 33.51 2qdk s LYS 43 CO -0.00 -0.10 -0.20 1.28 -0.36 0.00 0.00 175.35 175.97 2qdk n LEU 44 N 0.28 1.32 -3.60 5.43 4.77 -0.16 -4.85 117.00 120.18 2qdk n LEU 44 Ca 0.03 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 2qdk n LEU 44 Cb 0.48 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2qdk n LEU 44 CO 0.49 -0.04 0.59 0.00 -1.33 0.00 0.00 177.39 177.10 2qdk s ALA 45 N -2.39 -1.63 -0.24 -1.18 0.00 -1.16 -5.02 121.76 110.15 2qdk s ALA 45 Ca -0.19 0.45 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 2qdk s ALA 45 Cb 0.06 0.66 0.12 0.00 0.00 0.00 0.00 23.12 23.96 2qdk s ALA 45 CO 0.26 -0.86 0.34 0.45 0.00 0.00 0.00 175.76 175.96 2qdk s SER 46 N -2.74 0.51 -0.03 0.00 0.15 -1.26 -1.33 113.70 109.00 2qdk s SER 46 Ca 0.07 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.83 2qdk s SER 46 Cb -0.02 0.95 0.03 0.00 -1.71 0.00 0.00 66.02 65.26 2qdk s SER 46 CO -0.05 -0.31 -0.00 -1.00 1.20 0.00 0.00 173.24 173.09 2qdk s HIS 47 N 2.49 0.37 0.00 3.44 3.76 -0.70 -4.99 115.29 119.66 2qdk s HIS 47 Ca 0.11 -0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 2qdk s HIS 47 Cb -0.15 -0.47 0.00 0.00 1.11 0.00 0.00 32.58 33.07 2qdk s HIS 47 CO -0.15 -0.15 0.00 0.54 -0.85 0.00 0.00 174.74 174.12 2qdk n ARG 48 N 4.25 0.00 -0.05 1.40 1.74 -1.26 -0.70 116.66 122.04 2qdk n ARG 48 Ca -0.24 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 56.93 2qdk n ARG 48 Cb 0.50 0.00 0.40 0.00 -1.02 0.00 0.00 32.46 32.35 2qdk n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2qdk n GLU 49 N 14.00 1.43 -3.38 5.56 0.00 -1.26 -4.70 120.64 132.29 2qdk n GLU 49 Ca 0.00 -0.64 -0.45 0.00 0.00 0.00 0.00 57.16 56.06 2qdk n GLU 49 Cb 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 31.44 30.07 2qdk n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2qdk s PHE 50 N -1.86 3.55 -0.19 -1.84 0.40 0.12 -3.91 117.98 114.25 2qdk s PHE 50 Ca 0.28 -1.83 -0.09 0.00 -0.60 0.00 0.00 56.93 54.70 2qdk s PHE 50 Cb 0.14 -3.73 -0.04 0.00 0.51 0.00 0.00 43.02 39.90 2qdk s PHE 50 CO 0.22 -0.99 0.09 0.99 0.70 0.00 0.00 175.22 176.24 2qdk s THR 51 N 0.70 5.09 -0.03 0.64 2.01 -1.26 -1.73 115.64 121.06 2qdk s THR 51 Ca 0.12 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.25 2qdk s THR 51 Cb -0.19 -3.30 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 2qdk s THR 51 CO -0.04 0.46 -0.20 -0.94 -0.69 0.00 0.00 174.62 173.20 2qdk s SER 52 N 0.30 2.45 0.08 3.53 1.04 -0.44 -1.55 113.70 119.11 2qdk s SER 52 Ca 0.06 -0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.16 2qdk s SER 52 Cb -0.12 -0.40 -0.03 0.00 0.10 0.00 0.00 66.02 65.57 2qdk s SER 52 CO -0.01 0.23 -0.14 0.26 0.98 0.00 0.00 173.24 174.56 2qdk s TRP 53 N -0.34 1.26 0.02 5.02 0.52 0.53 -0.99 118.94 124.97 2qdk s TRP 53 Ca 0.04 -0.49 0.05 0.00 0.02 0.00 0.00 56.10 55.73 2qdk s TRP 53 Cb -0.09 -0.70 -0.03 0.00 -1.15 0.00 0.00 33.47 31.49 2qdk s TRP 53 CO 0.00 0.08 -0.12 0.50 0.02 0.00 0.00 176.95 177.43 2qdk s ARG 54 N -1.97 2.31 0.08 4.98 3.52 0.18 -0.74 118.95 127.30 2qdk s ARG 54 Ca 0.01 -0.86 0.00 0.00 -0.13 0.00 0.00 55.73 54.76 2qdk s ARG 54 Cb -0.09 -2.34 -0.00 0.00 -1.56 0.00 0.00 34.95 30.96 2qdk s ARG 54 CO 0.02 0.57 0.09 0.00 -0.81 0.00 0.00 175.30 175.18 2qdk n ALA 55 N 1.53 0.01 -2.93 6.12 0.00 -0.24 -0.44 120.51 124.56 2qdk n ALA 55 Ca -0.16 -0.39 -0.20 0.00 0.00 0.00 0.00 53.44 52.69 2qdk n ALA 55 Cb 0.52 0.32 -0.15 0.00 0.00 0.00 0.00 19.45 20.14 2qdk n ALA 55 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qdk s GLU 56 N -2.23 0.90 -0.20 0.00 2.02 0.14 -0.60 118.70 118.74 2qdk s GLU 56 Ca 0.07 -0.31 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 2qdk s GLU 56 Cb 0.00 -0.85 0.06 0.00 0.10 0.00 0.00 34.13 33.43 2qdk s GLU 56 CO 0.05 0.14 -0.02 -1.17 0.02 0.00 0.00 175.26 174.28 2qdk s LEU 57 N 0.08 1.82 -1.35 1.80 2.96 1.00 -1.74 118.68 123.25 2qdk s LEU 57 Ca -0.01 -0.91 -0.04 0.00 -0.22 0.00 0.00 54.13 52.95 2qdk s LEU 57 Cb -0.07 -0.90 -0.00 0.00 0.50 0.00 0.00 46.19 45.72 2qdk s LEU 57 CO 0.00 -0.25 0.51 0.47 -1.32 0.00 0.00 176.35 175.76 2qdk n ASP 58 N 4.86 -1.18 0.00 3.68 8.00 -1.26 -1.66 116.55 128.99 2qdk n ASP 58 Ca -0.11 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2qdk n ASP 58 Cb 0.46 -3.20 0.00 0.00 -0.02 0.00 0.00 41.12 38.36 2qdk n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qdk n GLY 59 N -1.90 2.84 3.79 0.44 0.00 -1.26 -4.99 105.19 104.11 2qdk n GLY 59 Ca -0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2qdk n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qdk s LYS 60 N -0.11 4.17 0.37 1.61 3.01 -0.67 -5.03 119.74 123.10 2qdk s LYS 60 Ca 0.00 0.60 -0.26 0.00 -1.01 0.00 0.00 55.97 55.29 2qdk s LYS 60 Cb 0.00 -3.29 -0.09 0.00 -1.01 0.00 0.00 37.83 33.44 2qdk s LYS 60 CO 0.00 0.52 1.16 0.00 0.51 0.00 0.00 175.35 177.54 2qdk s ALA 61 N -0.62 3.22 0.02 5.17 0.00 -1.26 -0.00 121.76 128.28 2qdk s ALA 61 Ca 0.27 0.96 0.01 0.00 0.00 0.00 0.00 51.96 53.20 2qdk s ALA 61 Cb -0.18 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2qdk s ALA 61 CO 0.16 -0.45 -0.04 0.14 0.00 0.00 0.00 175.76 175.57 2qdk s VAL 62 N -1.37 0.22 -0.02 0.00 -7.23 0.23 -4.25 120.40 107.98 2qdk s VAL 62 Ca 0.54 -0.59 -0.01 0.00 -1.81 0.00 0.00 61.98 60.11 2qdk s VAL 62 Cb -0.31 -0.28 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 2qdk s VAL 62 CO 0.39 -0.24 0.09 -0.63 -0.31 0.00 0.00 175.10 174.41 2qdk s ILE 63 N -0.83 4.86 -0.15 -0.62 -1.09 -0.68 -1.08 121.20 121.60 2qdk s ILE 63 Ca -0.08 -0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.04 2qdk s ILE 63 Cb -0.06 -3.21 0.02 0.00 -1.58 0.00 0.00 42.46 37.63 2qdk s ILE 63 CO -0.00 0.39 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.26 2qdk s VAL 64 N -1.18 1.62 -0.07 2.92 1.01 0.08 -0.58 120.40 124.20 2qdk s VAL 64 Ca 0.22 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 2qdk s VAL 64 Cb -0.12 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.78 2qdk s VAL 64 CO 0.13 0.46 0.16 0.00 0.00 0.00 0.00 175.10 175.85 2qdk s SER 66 N 1.53 6.21 -0.04 0.00 1.04 -0.59 -3.70 113.70 118.15 2qdk s SER 66 Ca -0.05 1.73 0.14 0.00 0.48 0.00 0.00 55.95 58.24 2qdk s SER 66 Cb -0.12 -2.53 -0.21 0.00 0.10 0.00 0.00 66.02 63.27 2qdk s SER 66 CO -0.06 -0.87 0.26 0.35 0.98 0.00 0.00 173.24 173.90 2qdk n THR 67 N -1.69 0.18 -2.72 2.02 -2.24 -0.12 -4.40 114.28 105.30 2qdk n THR 67 Ca 0.08 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2qdk n THR 67 Cb 0.53 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2qdk n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qdk n GLY 68 N 1.78 -2.17 3.70 3.38 0.00 0.15 -3.58 105.19 108.46 2qdk n GLY 68 Ca -0.06 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 2qdk n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qdk s ILE 69 N -0.25 5.13 0.00 -0.61 1.01 -1.26 -4.69 121.20 120.52 2qdk s ILE 69 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.72 2qdk s ILE 69 Cb 0.00 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.59 2qdk s ILE 69 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.81 2qdk n GLY 70 N 3.42 1.95 0.27 6.18 0.00 -1.26 -4.51 105.19 111.24 2qdk n GLY 70 Ca -0.05 -1.89 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 2qdk n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qdk h GLY 71 N 0.00 1.03 0.97 -0.02 0.00 -1.84 -2.14 103.07 101.06 2qdk h GLY 71 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2qdk h GLY 71 CO 0.00 0.19 -0.09 -2.55 0.00 0.00 0.00 176.54 174.09 2qdk h PRO 72 N 0.75 -0.25 -0.96 4.80 0.11 -1.93 0.14 132.00 134.65 2qdk h PRO 72 Ca 0.31 0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.44 2qdk h PRO 72 Cb 0.16 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.28 2qdk h PRO 72 CO -0.17 -0.14 0.64 0.66 -0.21 0.00 0.00 178.00 178.78 2qdk h SER 73 N -0.29 1.10 -0.89 -2.05 4.64 -1.79 -2.25 113.55 112.03 2qdk h SER 73 Ca -0.03 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 2qdk h SER 73 Cb 0.22 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.00 2qdk h SER 73 CO 0.04 0.80 0.53 0.74 -0.87 0.00 0.00 176.83 178.07 2qdk h THR 74 N 1.30 1.25 0.00 2.95 2.02 -1.03 -2.65 112.91 116.75 2qdk h THR 74 Ca 0.35 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 2qdk h THR 74 Cb -0.14 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.26 2qdk h THR 74 CO -0.08 0.26 -0.25 0.77 0.37 0.00 0.00 175.52 176.59 2qdk h SER 75 N 1.23 0.00 -0.12 4.18 4.64 -0.13 -1.56 113.55 121.79 2qdk h SER 75 Ca 0.32 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.56 2qdk h SER 75 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2qdk h SER 75 CO -0.06 0.25 -0.22 0.40 -0.87 0.00 0.00 176.83 176.33 2qdk h ILE 76 N 0.00 1.38 -0.30 0.95 2.04 -1.28 -2.38 117.51 117.92 2qdk h ILE 76 Ca -0.00 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 2qdk h ILE 76 Cb 0.46 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 2qdk h ILE 76 CO 0.03 0.43 0.15 0.00 0.00 0.00 0.00 178.15 178.76 2qdk h ALA 77 N 0.54 0.38 -0.39 1.87 0.00 -1.15 -1.89 119.26 118.62 2qdk h ALA 77 Ca 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2qdk h ALA 77 Cb 0.80 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2qdk h ALA 77 CO 0.05 -0.06 0.07 0.28 0.00 0.00 0.00 179.25 179.58 2qdk h VAL 78 N 0.35 1.24 -0.44 0.00 2.07 -1.38 -0.66 116.25 117.43 2qdk h VAL 78 Ca 0.10 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.79 2qdk h VAL 78 Cb 0.11 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2qdk h VAL 78 CO -0.01 0.29 0.27 -0.08 0.02 0.00 0.00 177.57 178.05 2qdk h GLU 79 N 0.49 0.52 0.04 1.57 4.57 -1.35 0.43 114.58 120.85 2qdk h GLU 79 Ca 0.12 -0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 58.04 2qdk h GLU 79 Cb 0.36 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2qdk h GLU 79 CO 0.01 0.34 -1.02 0.93 -1.18 0.00 0.00 179.01 178.09 2qdk h GLU 80 N 0.53 0.28 -0.86 1.92 5.08 -1.25 -1.09 114.58 119.19 2qdk h GLU 80 Ca 0.17 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2qdk h GLU 80 Cb 0.00 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2qdk h GLU 80 CO -0.08 1.09 0.45 -0.07 -1.00 0.00 0.00 179.01 179.41 2qdk h LEU 81 N 0.13 1.09 -0.33 1.33 3.38 -1.04 -2.08 115.31 117.80 2qdk h LEU 81 Ca -0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2qdk h LEU 81 Cb 1.69 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 2qdk h LEU 81 CO 0.17 0.89 0.17 0.00 0.09 0.00 0.00 178.44 179.75 2qdk h ALA 82 N 1.28 0.42 -0.84 1.53 0.00 -0.60 -0.78 119.26 120.27 2qdk h ALA 82 Ca 0.30 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.28 2qdk h ALA 82 Cb 0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2qdk h ALA 82 CO -0.04 -0.02 0.55 1.96 0.00 0.00 0.00 179.25 181.69 2qdk h GLN 83 N 0.40 0.49 -0.00 0.00 4.20 -1.01 -0.74 115.11 118.44 2qdk h GLN 83 Ca 0.11 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2qdk h GLN 83 Cb 0.10 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2qdk h GLN 83 CO -0.02 0.32 -0.16 1.28 -0.67 0.00 0.00 178.83 179.59 2qdk n LEU 84 N -4.52 0.37 0.00 1.46 4.77 -0.68 -4.90 117.00 113.50 2qdk n LEU 84 Ca 0.17 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2qdk n LEU 84 Cb 0.56 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2qdk n LEU 84 CO 0.31 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2qdk n GLY 85 N 1.37 1.19 3.74 -0.72 0.00 -0.28 -4.75 105.19 105.74 2qdk n GLY 85 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2qdk n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qdk s ILE 86 N -2.00 3.21 0.00 -0.61 -1.09 -0.39 -4.53 121.20 115.79 2qdk s ILE 86 Ca 0.00 1.02 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 2qdk s ILE 86 Cb 0.00 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 2qdk s ILE 86 CO 0.00 0.16 0.00 0.54 -1.23 0.00 0.00 174.94 174.41 2qdk n ARG 87 N 2.45 3.14 -4.57 2.79 5.12 0.24 -4.20 116.66 121.62 2qdk n ARG 87 Ca 0.05 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.74 2qdk n ARG 87 Cb 0.43 -0.69 -0.16 0.00 -1.16 0.00 0.00 32.46 30.87 2qdk n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2qdk s THR 88 N -1.30 1.09 -0.08 0.55 2.01 -0.84 -1.09 115.64 115.98 2qdk s THR 88 Ca 0.00 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.54 2qdk s THR 88 Cb 0.00 -0.98 0.01 0.00 0.01 0.00 0.00 72.50 71.54 2qdk s THR 88 CO 0.00 0.34 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.74 2qdk s PHE 89 N 0.46 1.90 -0.26 4.92 0.40 0.84 -0.75 117.98 125.49 2qdk s PHE 89 Ca -0.10 -0.76 0.03 0.00 -0.60 0.00 0.00 56.93 55.50 2qdk s PHE 89 Cb -0.13 -1.33 0.06 0.00 0.51 0.00 0.00 43.02 42.12 2qdk s PHE 89 CO 0.03 -0.35 -0.11 -0.51 0.70 0.00 0.00 175.22 174.97 2qdk s LEU 90 N 0.60 3.40 0.00 -0.37 1.43 -0.19 -1.15 118.68 122.41 2qdk s LEU 90 Ca -0.15 -1.37 -0.24 0.00 -1.03 0.00 0.00 54.13 51.34 2qdk s LEU 90 Cb -0.16 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 2qdk s LEU 90 CO 0.05 -0.18 0.74 -0.60 0.23 0.00 0.00 176.35 176.58 2qdk s ARG 91 N 1.11 4.46 -0.09 1.70 3.52 -0.09 -0.25 118.95 129.31 2qdk s ARG 91 Ca -0.08 0.99 0.04 0.00 -0.13 0.00 0.00 55.73 56.54 2qdk s ARG 91 Cb -0.20 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 2qdk s ARG 91 CO -0.05 0.20 -0.22 -1.50 -0.81 0.00 0.00 175.30 172.92 2qdk s ILE 92 N 0.27 1.90 0.29 4.11 1.10 -1.24 -1.27 121.20 126.35 2qdk s ILE 92 Ca 0.38 -0.94 -0.06 0.00 -0.51 0.00 0.00 60.65 59.53 2qdk s ILE 92 Cb -0.19 -1.65 -0.01 0.00 0.15 0.00 0.00 42.46 40.76 2qdk s ILE 92 CO 0.21 0.53 0.42 -0.83 -2.11 0.00 0.00 174.94 173.16 2qdk s GLY 93 N 0.33 1.17 0.14 1.50 0.00 -0.81 -4.26 107.32 105.40 2qdk s GLY 93 Ca -0.16 -1.34 0.09 0.00 0.00 0.00 0.00 44.72 43.31 2qdk s GLY 93 CO 0.08 -0.94 -0.17 -0.51 0.00 0.00 0.00 173.10 171.56 2qdk s THR 94 N -3.55 2.86 0.07 0.90 -4.23 -1.26 -1.45 115.64 108.97 2qdk s THR 94 Ca 0.29 -1.61 -0.18 0.00 -1.18 0.00 0.00 61.69 59.00 2qdk s THR 94 Cb 0.01 -2.35 0.04 0.00 1.34 0.00 0.00 72.50 71.54 2qdk s THR 94 CO 0.15 0.02 0.43 0.28 -0.54 0.00 0.00 174.62 174.96 2qdk s THR 95 N -1.35 0.05 0.00 3.99 -1.32 -0.03 -4.87 115.64 112.11 2qdk s THR 95 Ca 0.20 -0.44 0.00 0.00 -1.21 0.00 0.00 61.69 60.24 2qdk s THR 95 Cb -0.10 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 2qdk s THR 95 CO 0.11 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 2qdk n GLY 96 N 0.27 -0.57 3.32 6.08 0.00 -1.26 -0.48 105.19 112.55 2qdk n GLY 96 Ca -0.18 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 2qdk n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qdk s ALA 97 N -3.75 -0.83 0.00 4.61 0.00 -0.78 -4.68 121.76 116.33 2qdk s ALA 97 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2qdk s ALA 97 Cb 0.00 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.81 2qdk s ALA 97 CO 0.00 -0.64 0.81 0.44 0.00 0.00 0.00 175.76 176.36 2qdk n ILE 98 N -0.22 0.65 -4.14 0.00 -5.35 -0.31 -3.51 119.36 106.47 2qdk n ILE 98 Ca -0.15 -0.74 -0.34 0.00 -0.27 0.00 0.00 62.75 61.24 2qdk n ILE 98 Cb 0.63 0.71 -0.12 0.00 -1.74 0.00 0.00 39.64 39.13 2qdk n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2qdk s GLN 99 N -0.65 3.75 0.57 6.28 -1.52 -1.25 -4.88 119.66 121.96 2qdk s GLN 99 Ca 0.00 -0.46 0.33 0.00 -1.95 0.00 0.00 55.36 53.28 2qdk s GLN 99 Cb 0.00 -3.09 1.69 0.00 -0.22 0.00 0.00 33.01 31.39 2qdk s GLN 99 CO 0.00 0.15 2.13 -1.35 -0.25 0.00 0.00 175.29 175.98 2qdk h PRO 100 N 7.05 0.00 -0.01 2.91 0.11 -1.93 -1.54 132.00 138.58 2qdk h PRO 100 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2qdk h PRO 100 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qdk h PRO 100 CO 0.64 0.06 0.00 -2.39 -0.21 0.00 0.00 178.00 176.10 2qdk n HIS 101 N -3.41 0.02 -3.77 0.65 1.44 -1.26 -4.72 115.22 104.17 2qdk n HIS 101 Ca -0.02 -0.01 -0.36 0.00 -2.01 0.00 0.00 57.72 55.32 2qdk n HIS 101 Cb 0.21 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.19 2qdk n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2qdk s ILE 102 N -1.98 4.37 0.12 0.61 1.01 -0.58 -5.10 121.20 119.65 2qdk s ILE 102 Ca 0.29 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.82 2qdk s ILE 102 Cb 0.14 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 2qdk s ILE 102 CO 0.23 0.34 0.15 0.20 0.00 0.00 0.00 174.94 175.86 2qdk s ASN 103 N 1.53 5.77 0.26 3.58 0.01 -1.26 -4.92 114.94 119.91 2qdk s ASN 103 Ca 0.06 0.01 -0.31 0.00 -0.71 0.00 0.00 52.86 51.92 2qdk s ASN 103 Cb -0.15 -1.60 -0.13 0.00 0.41 0.00 0.00 41.25 39.77 2qdk s ASN 103 CO 0.04 0.11 1.33 0.52 -1.51 0.00 0.00 177.10 177.60 2qdk n VAL 104 N -0.03 1.22 0.00 1.60 0.31 -1.26 -1.50 118.33 118.67 2qdk n VAL 104 Ca -0.08 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2qdk n VAL 104 Cb 0.53 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 2qdk n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qdk n GLY 105 N 1.82 2.83 3.76 2.92 0.00 -0.13 -5.01 105.19 111.38 2qdk n GLY 105 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2qdk n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qdk s ASP 106 N -1.22 4.11 -0.10 1.61 -0.00 -0.56 -4.77 116.67 115.74 2qdk s ASP 106 Ca 0.00 1.48 0.03 0.00 -0.00 0.00 0.00 52.55 54.06 2qdk s ASP 106 Cb 0.00 -2.20 -0.00 0.00 -0.00 0.00 0.00 42.92 40.72 2qdk s ASP 106 CO 0.00 -2.24 -0.22 -0.69 -0.00 0.00 0.00 175.17 172.03 2qdk s VAL 107 N -3.01 2.26 -0.16 -1.27 1.01 0.80 -1.40 120.40 118.62 2qdk s VAL 107 Ca 0.62 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 2qdk s VAL 107 Cb -0.16 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2qdk s VAL 107 CO 0.56 0.55 -0.01 -0.76 0.00 0.00 0.00 175.10 175.44 2qdk s LEU 108 N 0.30 3.36 -0.17 3.92 1.43 0.48 -0.37 118.68 127.64 2qdk s LEU 108 Ca -0.16 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 2qdk s LEU 108 Cb -0.17 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 2qdk s LEU 108 CO 0.08 0.16 -0.09 -0.69 0.23 0.00 0.00 176.35 176.05 2qdk s VAL 109 N 0.42 3.26 -0.30 -1.59 1.01 0.43 -1.02 120.40 122.61 2qdk s VAL 109 Ca -0.02 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 2qdk s VAL 109 Cb -0.14 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2qdk s VAL 109 CO 0.02 0.48 0.39 -0.89 0.00 0.00 0.00 175.10 175.10 2qdk s THR 110 N 0.84 5.15 0.09 3.92 2.01 -1.03 -1.66 115.64 124.95 2qdk s THR 110 Ca -0.03 0.40 0.07 0.00 0.31 0.00 0.00 61.69 62.44 2qdk s THR 110 Cb -0.15 -3.77 -0.22 0.00 0.01 0.00 0.00 72.50 68.38 2qdk s THR 110 CO 0.01 0.04 1.18 0.71 -0.69 0.00 0.00 174.62 175.87 2qdk h THR 111 N 5.46 1.58 -2.01 -0.82 1.35 -1.50 -3.41 112.91 113.56 2qdk h THR 111 Ca -0.31 -3.30 0.19 0.00 -0.55 0.00 0.00 66.41 62.45 2qdk h THR 111 Cb 1.15 2.80 -0.13 0.00 -1.73 0.00 0.00 68.15 70.24 2qdk h THR 111 CO 0.67 0.91 0.61 0.00 -0.25 0.00 0.00 175.52 177.46 2qdk s ALA 112 N -2.69 -1.89 0.06 6.62 0.00 -1.25 -0.80 121.76 121.80 2qdk s ALA 112 Ca -0.00 0.82 0.07 0.00 0.00 0.00 0.00 51.96 52.85 2qdk s ALA 112 Cb 0.09 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 2qdk s ALA 112 CO 0.83 -0.83 -0.19 -1.12 0.00 0.00 0.00 175.76 174.44 2qdk s SER 113 N -2.63 2.29 0.01 0.00 0.01 -0.24 -1.92 113.70 111.21 2qdk s SER 113 Ca 0.09 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 2qdk s SER 113 Cb -0.00 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 2qdk s SER 113 CO -0.04 0.10 1.17 -0.69 0.41 0.00 0.00 173.24 174.19 2qdk s VAL 114 N -0.92 4.23 -1.18 3.43 1.01 0.86 -4.39 120.40 123.44 2qdk s VAL 114 Ca 0.06 1.59 -0.15 0.00 0.00 0.00 0.00 61.98 63.47 2qdk s VAL 114 Cb -0.09 -4.02 0.15 0.00 0.00 0.00 0.00 36.38 32.43 2qdk s VAL 114 CO 0.02 0.07 1.43 -0.13 0.00 0.00 0.00 175.10 176.50 2qdk s ARG 115 N 1.51 4.01 -0.49 2.72 0.52 -1.26 -1.35 118.95 124.62 2qdk s ARG 115 Ca 0.57 -2.40 0.03 0.00 -0.52 0.00 0.00 55.73 53.41 2qdk s ARG 115 Cb -0.26 -5.10 0.59 0.00 0.52 0.00 0.00 34.95 30.70 2qdk s ARG 115 CO 0.26 -1.83 1.89 1.28 0.02 0.00 0.00 175.30 176.92 2qdk n LEU 116 N 6.10 6.68 0.00 2.53 4.77 -0.45 -4.93 117.00 131.70 2qdk n LEU 116 Ca 0.36 -3.83 0.00 0.00 -0.03 0.00 0.00 56.01 52.51 2qdk n LEU 116 Cb 0.44 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2qdk n LEU 116 CO 0.62 1.21 0.00 -0.90 -1.33 0.00 0.00 177.39 176.99 2qdk n ASP 117 N -1.08 1.92 0.00 -1.43 3.85 -1.19 -2.23 116.55 116.39 2qdk n ASP 117 Ca 0.58 -0.65 0.00 0.00 -0.71 0.00 0.00 54.79 54.01 2qdk n ASP 117 Cb 1.33 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 41.10 2qdk n ASP 117 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qdk n GLY 118 N 5.00 0.00 0.26 6.12 0.00 -1.26 -4.81 105.19 110.49 2qdk n GLY 118 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2qdk n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qdk h ALA 119 N 0.00 1.55 -0.40 4.61 0.00 -1.98 -2.48 119.26 120.56 2qdk h ALA 119 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qdk h ALA 119 Cb 0.63 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2qdk h ALA 119 CO 0.00 0.33 0.26 0.66 0.00 0.00 0.00 179.25 180.50 2qdk h SER 120 N 0.31 0.46 0.48 0.00 4.64 -1.87 -1.06 113.55 116.50 2qdk h SER 120 Ca 0.07 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2qdk h SER 120 Cb 0.28 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2qdk h SER 120 CO 0.01 0.33 0.00 0.18 -0.87 0.00 0.00 176.83 176.48 2qdk n LEU 121 N -4.47 0.41 -0.19 5.97 4.77 -0.93 -1.20 117.00 121.36 2qdk n LEU 121 Ca 0.03 0.62 0.15 0.00 -0.03 0.00 0.00 56.01 56.78 2qdk n LEU 121 Cb 0.06 -0.59 0.68 0.00 -2.33 0.00 0.00 43.42 41.24 2qdk n LEU 121 CO 0.35 -0.54 0.93 1.41 -1.33 0.00 0.00 177.39 178.22 2qdk n HIS 122 N -1.98 0.00 0.00 -1.77 8.25 -0.40 -4.05 115.22 115.27 2qdk n HIS 122 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2qdk n HIS 122 Cb 0.16 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.19 2qdk n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2qdk n PHE 123 N -0.65 0.00 -3.56 4.41 3.01 -0.34 -5.09 117.46 115.24 2qdk n PHE 123 Ca 0.18 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.48 2qdk n PHE 123 Cb 0.25 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.66 2qdk n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qdk s ALA 124 N -1.99 -1.78 1.04 4.37 0.00 -0.86 -5.01 121.76 117.54 2qdk s ALA 124 Ca 0.00 1.59 -0.13 0.00 0.00 0.00 0.00 51.96 53.42 2qdk s ALA 124 Cb 0.00 -0.46 0.21 0.00 0.00 0.00 0.00 23.12 22.87 2qdk s ALA 124 CO 0.00 -0.36 1.09 -1.25 0.00 0.00 0.00 175.76 175.24 2qdk s PRO 125 N -0.59 0.07 0.45 0.00 0.04 -1.26 -4.06 135.00 129.64 2qdk s PRO 125 Ca -0.07 0.44 0.19 0.00 0.04 0.00 0.00 61.00 61.60 2qdk s PRO 125 Cb -0.02 -1.70 1.07 0.00 0.04 0.00 0.00 34.50 33.89 2qdk s PRO 125 CO 0.06 -2.96 1.96 1.98 0.04 0.00 0.00 177.00 178.08 2qdk h MET 126 N -2.05 0.00 0.00 4.56 4.05 -1.95 -1.36 114.93 118.18 2qdk h MET 126 Ca -0.54 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.87 2qdk h MET 126 Cb 1.33 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.13 2qdk h MET 126 CO 0.55 0.22 -0.02 1.05 0.23 0.00 0.00 176.91 178.94 2qdk h GLU 127 N 0.00 0.00 -6.68 0.39 9.09 -2.03 -3.43 114.58 111.92 2qdk h GLU 127 Ca -0.00 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 58.90 2qdk h GLU 127 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 2qdk h GLU 127 CO 0.03 0.02 0.47 0.12 0.05 0.00 0.00 179.01 179.70 2qdk s PHE 128 N -4.01 3.62 0.04 2.06 2.19 -0.52 -5.00 117.98 116.36 2qdk s PHE 128 Ca -0.03 1.64 -0.28 0.00 0.33 0.00 0.00 56.93 58.59 2qdk s PHE 128 Cb 0.12 -3.26 -0.04 0.00 -1.31 0.00 0.00 43.02 38.53 2qdk s PHE 128 CO 0.49 -0.52 0.90 -1.25 1.83 0.00 0.00 175.22 176.67 2qdk s PRO 129 N -0.55 4.58 -1.22 10.12 0.04 -1.26 -4.94 135.00 141.76 2qdk s PRO 129 Ca 0.48 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.64 2qdk s PRO 129 Cb -0.29 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 30.82 2qdk s PRO 129 CO 0.35 0.12 2.02 0.00 0.04 0.00 0.00 177.00 179.53 2qdk n ALA 130 N 3.30 4.14 -2.76 8.56 0.00 -1.26 -4.77 120.51 127.71 2qdk n ALA 130 Ca 0.02 -3.64 -0.34 0.00 0.00 0.00 0.00 53.44 49.48 2qdk n ALA 130 Cb 0.50 -3.57 -0.08 0.00 0.00 0.00 0.00 19.45 16.30 2qdk n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qdk s VAL 131 N 4.76 4.70 0.51 0.00 0.11 -1.26 -1.08 120.40 128.13 2qdk s VAL 131 Ca 0.54 -0.25 -0.19 0.00 -2.93 0.00 0.00 61.98 59.15 2qdk s VAL 131 Cb 0.10 -3.07 -0.07 0.00 -1.53 0.00 0.00 36.38 31.81 2qdk s VAL 131 CO 0.02 0.49 1.03 0.00 -3.33 0.00 0.00 175.10 173.31 2qdk s ALA 132 N -1.05 2.88 0.31 1.54 0.00 0.02 -4.68 121.76 120.78 2qdk s ALA 132 Ca 0.18 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.33 2qdk s ALA 132 Cb -0.12 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 2qdk s ALA 132 CO 0.08 -0.38 1.57 0.34 0.00 0.00 0.00 175.76 177.37 2qdk s ASP 133 N -2.31 6.37 0.23 0.00 -1.08 -0.30 -4.94 116.67 114.64 2qdk s ASP 133 Ca 0.65 2.96 -0.06 0.00 -0.52 0.00 0.00 52.55 55.59 2qdk s ASP 133 Cb -0.15 -2.64 0.23 0.00 -1.46 0.00 0.00 42.92 38.90 2qdk s ASP 133 CO 0.24 -0.90 1.78 0.15 0.52 0.00 0.00 175.17 176.96 2qdk h PHE 134 N 4.51 1.10 -0.62 -5.34 3.57 -1.95 -1.81 116.94 116.40 2qdk h PHE 134 Ca -0.48 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 60.85 2qdk h PHE 134 Cb 1.22 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2qdk h PHE 134 CO 0.58 0.87 0.09 0.00 -2.23 0.00 0.00 178.31 177.62 2qdk h ALA 135 N 1.21 0.83 -0.13 2.41 0.00 -1.96 -0.86 119.26 120.76 2qdk h ALA 135 Ca 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2qdk h ALA 135 Cb 0.27 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qdk h ALA 135 CO -0.01 0.59 -0.02 0.00 0.00 0.00 0.00 179.25 179.82 2qdk h THR 137 N -0.05 1.24 -0.14 0.00 2.02 -1.26 -0.92 112.91 113.80 2qdk h THR 137 Ca 0.04 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 2qdk h THR 137 Cb 0.41 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2qdk h THR 137 CO 0.01 0.25 0.06 0.74 0.37 0.00 0.00 175.52 176.95 2qdk h THR 138 N 1.22 1.15 -0.66 3.16 2.02 -1.07 -1.07 112.91 117.66 2qdk h THR 138 Ca 0.32 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 67.09 2qdk h THR 138 Cb -0.08 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 2qdk h THR 138 CO -0.06 0.14 0.39 0.00 0.37 0.00 0.00 175.52 176.36 2qdk h ALA 139 N 0.90 0.87 -0.27 6.16 0.00 -0.74 -0.80 119.26 125.38 2qdk h ALA 139 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2qdk h ALA 139 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2qdk h ALA 139 CO -0.00 0.12 0.01 -0.07 0.00 0.00 0.00 179.25 179.31 2qdk h LEU 140 N 0.75 0.45 -0.31 0.00 3.38 -1.04 -0.69 115.31 117.84 2qdk h LEU 140 Ca 0.28 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qdk h LEU 140 Cb 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2qdk h LEU 140 CO -0.13 0.63 0.18 0.58 0.09 0.00 0.00 178.44 179.79 2qdk h VAL 141 N 0.25 1.12 -0.28 1.22 2.07 -0.87 -0.49 116.25 119.28 2qdk h VAL 141 Ca 0.08 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 2qdk h VAL 141 Cb 0.39 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2qdk h VAL 141 CO 0.01 0.12 -0.27 -0.33 0.02 0.00 0.00 177.57 177.12 2qdk h GLU 142 N 0.39 0.55 -0.58 1.57 5.08 -1.14 -1.38 114.58 119.07 2qdk h GLU 142 Ca 0.11 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 2qdk h GLU 142 Cb 0.03 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2qdk h GLU 142 CO -0.02 0.77 0.06 0.00 -1.00 0.00 0.00 179.01 178.82 2qdk h ALA 143 N 1.23 1.03 -0.34 3.43 0.00 -0.87 -1.71 119.26 122.03 2qdk h ALA 143 Ca 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2qdk h ALA 143 Cb 0.71 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2qdk h ALA 143 CO 0.05 0.62 0.12 0.00 0.00 0.00 0.00 179.25 180.04 2qdk h ALA 144 N 1.18 0.44 -0.74 0.00 0.00 -0.60 -2.87 119.26 116.67 2qdk h ALA 144 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2qdk h ALA 144 Cb 0.43 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2qdk h ALA 144 CO 0.01 0.05 0.44 0.87 0.00 0.00 0.00 179.25 180.63 2qdk h LYS 145 N 0.40 1.00 0.00 0.00 1.79 -1.04 -2.10 116.57 116.61 2qdk h LYS 145 Ca 0.11 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2qdk h LYS 145 Cb 0.21 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2qdk h LYS 145 CO -0.01 0.70 0.00 0.66 -1.08 0.00 0.00 179.45 179.73 2qdk h SER 146 N 1.01 0.00 -0.37 0.86 4.64 -1.09 -1.70 113.55 116.90 2qdk h SER 146 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2qdk h SER 146 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2qdk h SER 146 CO -0.05 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.21 2qdk n ILE 147 N -2.63 1.46 -1.79 0.95 -5.35 -1.00 -4.98 119.36 106.02 2qdk n ILE 147 Ca 0.01 -1.27 -0.16 0.00 -0.27 0.00 0.00 62.75 61.06 2qdk n ILE 147 Cb 0.27 0.25 -0.05 0.00 -1.74 0.00 0.00 39.64 38.37 2qdk n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qdk n GLY 148 N 0.34 0.92 3.76 3.28 0.00 -0.64 -4.97 105.19 107.88 2qdk n GLY 148 Ca 0.16 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 2qdk n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qdk s ALA 149 N -2.69 3.40 -0.29 4.61 0.00 -0.82 -4.99 121.76 120.98 2qdk s ALA 149 Ca 0.00 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 2qdk s ALA 149 Cb 0.00 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 2qdk s ALA 149 CO 0.00 -0.21 1.35 0.99 0.00 0.00 0.00 175.76 177.90 2qdk s THR 150 N -1.18 4.06 -0.02 0.00 2.01 -1.26 -4.68 115.64 114.58 2qdk s THR 150 Ca 0.45 1.20 0.06 0.00 0.31 0.00 0.00 61.69 63.71 2qdk s THR 150 Cb -0.32 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 2qdk s THR 150 CO 0.42 -0.45 -0.19 0.42 -0.69 0.00 0.00 174.62 174.12 2qdk s THR 151 N 4.53 1.51 -0.08 -0.82 -4.23 -1.26 -0.14 115.64 115.15 2qdk s THR 151 Ca 0.59 -0.82 0.04 0.00 -1.18 0.00 0.00 61.69 60.32 2qdk s THR 151 Cb -0.18 -1.26 -0.02 0.00 1.34 0.00 0.00 72.50 72.39 2qdk s THR 151 CO 0.24 0.43 -0.19 -1.00 -0.54 0.00 0.00 174.62 173.56 2qdk s HIS 152 N -0.45 2.61 -0.12 3.99 3.76 0.50 -4.95 115.29 120.63 2qdk s HIS 152 Ca 0.07 -0.57 0.03 0.00 -0.15 0.00 0.00 55.06 54.45 2qdk s HIS 152 Cb -0.07 -1.67 0.01 0.00 1.11 0.00 0.00 32.58 31.95 2qdk s HIS 152 CO -0.01 -0.12 -0.22 0.08 -0.85 0.00 0.00 174.74 173.62 2qdk s VAL 153 N -0.16 2.01 -3.06 -0.90 1.01 -1.26 -0.43 120.40 117.61 2qdk s VAL 153 Ca -0.02 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2qdk s VAL 153 Cb -0.14 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.49 2qdk s VAL 153 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2qdk n GLY 154 N 3.82 -0.56 3.84 4.51 0.00 -0.67 -4.96 105.19 111.17 2qdk n GLY 154 Ca -0.20 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 2qdk n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qdk s VAL 155 N -3.45 5.16 0.05 1.61 1.01 -1.26 -1.17 120.40 122.34 2qdk s VAL 155 Ca 0.00 0.69 0.07 0.00 0.00 0.00 0.00 61.98 62.74 2qdk s VAL 155 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2qdk s VAL 155 CO 0.00 0.57 -0.18 -0.89 0.00 0.00 0.00 175.10 174.60 2qdk s THR 156 N -0.92 2.79 -0.21 3.92 2.01 -0.81 -0.76 115.64 121.67 2qdk s THR 156 Ca 0.21 -1.23 -0.15 0.00 0.31 0.00 0.00 61.69 60.83 2qdk s THR 156 Cb -0.15 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 2qdk s THR 156 CO 0.11 0.30 0.37 0.00 -0.69 0.00 0.00 174.62 174.71 2qdk s ALA 157 N -0.95 3.56 -0.34 7.40 0.00 0.50 -0.10 121.76 131.83 2qdk s ALA 157 Ca 0.15 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 2qdk s ALA 157 Cb -0.10 -2.59 0.05 0.00 0.00 0.00 0.00 23.12 20.47 2qdk s ALA 157 CO 0.06 -0.28 0.11 0.45 0.00 0.00 0.00 175.76 176.09 2qdk s SER 158 N 1.04 5.28 -0.05 0.00 0.15 -0.45 -1.29 113.70 118.37 2qdk s SER 158 Ca 0.18 -1.25 0.01 0.00 0.70 0.00 0.00 55.95 55.58 2qdk s SER 158 Cb -0.15 -1.85 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 2qdk s SER 158 CO 0.07 -0.35 -0.05 -0.55 1.20 0.00 0.00 173.24 173.56 2qdk s SER 159 N 1.48 4.75 0.00 5.45 0.15 0.31 -1.34 113.70 124.50 2qdk s SER 159 Ca -0.01 -0.03 0.25 0.00 0.70 0.00 0.00 55.95 56.86 2qdk s SER 159 Cb -0.20 -1.20 1.15 0.00 -1.71 0.00 0.00 66.02 64.06 2qdk s SER 159 CO 0.02 0.34 1.82 0.47 1.20 0.00 0.00 173.24 177.09 2qdk n ASP 160 N 2.00 0.00 -4.24 5.45 10.43 -0.95 -4.26 116.55 124.99 2qdk n ASP 160 Ca -0.17 0.29 -0.18 0.00 2.57 0.00 0.00 54.79 57.29 2qdk n ASP 160 Cb 0.53 -0.42 -0.11 0.00 1.84 0.00 0.00 41.12 42.96 2qdk n ASP 160 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2qdk s THR 161 N -2.84 1.32 -0.02 -3.53 -4.23 -1.26 -5.01 115.64 100.07 2qdk s THR 161 Ca 0.16 -1.68 0.12 0.00 -1.18 0.00 0.00 61.69 59.11 2qdk s THR 161 Cb 0.17 -1.50 -0.15 0.00 1.34 0.00 0.00 72.50 72.36 2qdk s THR 161 CO 0.43 -0.40 1.06 0.15 -0.54 0.00 0.00 174.62 175.32 2qdk h PHE 162 N 3.58 0.00 0.00 3.99 3.04 -1.97 -3.39 116.94 122.19 2qdk h PHE 162 Ca -0.40 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.55 2qdk h PHE 162 Cb 1.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 2qdk h PHE 162 CO 0.65 0.83 0.00 0.66 -2.02 0.00 0.00 178.31 178.42 2qdk n TYR 163 N -3.16 0.00 0.20 0.41 4.02 -1.26 -4.40 117.16 112.98 2qdk n TYR 163 Ca -0.06 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.87 2qdk n TYR 163 Cb 0.91 0.00 0.43 0.00 -0.02 0.00 0.00 39.34 40.66 2qdk n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2qdk h PRO 164 N 0.00 0.00 0.00 -0.72 0.13 -1.87 -0.76 132.00 128.78 2qdk h PRO 164 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2qdk h PRO 164 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2qdk h PRO 164 CO 0.00 0.30 0.00 0.78 -0.23 0.00 0.00 178.00 178.85 2qdk h GLY 165 N 0.96 0.00 -2.96 1.56 0.00 -1.86 -1.43 103.07 99.33 2qdk h GLY 165 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2qdk h GLY 165 CO 0.04 0.00 0.05 -1.06 0.00 0.00 0.00 176.54 175.57 2qdk n GLN 166 N -2.40 4.02 -4.06 4.80 6.02 -0.75 -4.94 117.38 120.08 2qdk n GLN 166 Ca 0.03 -3.07 -0.27 0.00 -0.01 0.00 0.00 57.00 53.69 2qdk n GLN 166 Cb 0.32 -2.13 -0.04 0.00 1.02 0.00 0.00 30.24 29.41 2qdk n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2qdk n GLU 167 N 0.09 -2.64 -3.42 -1.09 2.13 -0.54 -4.92 120.64 110.25 2qdk n GLU 167 Ca 0.29 0.32 -0.38 0.00 0.66 0.00 0.00 57.16 58.05 2qdk n GLU 167 Cb 1.15 -4.27 -0.06 0.00 0.27 0.00 0.00 31.44 28.52 2qdk n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2qdk s ARG 168 N -6.79 4.17 -0.00 5.31 0.52 -0.37 -4.96 118.95 116.83 2qdk s ARG 168 Ca 0.01 0.38 0.14 0.00 -0.52 0.00 0.00 55.73 55.74 2qdk s ARG 168 Cb -0.00 -3.35 -0.16 0.00 0.52 0.00 0.00 34.95 31.96 2qdk s ARG 168 CO 0.92 0.38 0.60 0.66 0.02 0.00 0.00 175.30 177.88 2qdk n TYR 169 N 2.93 0.00 -1.63 -0.53 4.02 -1.26 -4.38 117.16 116.30 2qdk n TYR 169 Ca -0.10 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.38 2qdk n TYR 169 Cb 0.52 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.81 2qdk n TYR 169 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2qdk n ASP 170 N -1.37 6.41 -3.63 7.72 3.85 -1.26 -4.14 116.55 124.12 2qdk n ASP 170 Ca 0.02 -2.78 -0.21 0.00 -0.71 0.00 0.00 54.79 51.12 2qdk n ASP 170 Cb 0.23 -1.58 -0.08 0.00 -1.35 0.00 0.00 41.12 38.34 2qdk n ASP 170 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2qdk s THR 171 N 2.15 0.16 0.17 2.12 -4.23 -1.26 -5.02 115.64 109.72 2qdk s THR 171 Ca 0.57 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.93 2qdk s THR 171 Cb 0.16 -2.45 0.05 0.00 1.34 0.00 0.00 72.50 71.59 2qdk s THR 171 CO -0.07 0.00 1.78 0.22 -0.54 0.00 0.00 174.62 176.01 2qdk h TYR 172 N 2.07 0.40 0.00 3.99 5.03 -1.99 -3.07 116.97 123.40 2qdk h TYR 172 Ca -0.29 0.02 -0.23 0.00 2.58 0.00 0.00 58.73 60.82 2qdk h TYR 172 Cb 1.24 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 39.37 2qdk h TYR 172 CO 1.57 0.20 -1.64 -1.13 -1.32 0.00 0.00 178.16 175.84 2qdk n SER 173 N -4.91 0.74 -0.32 -2.11 3.41 -1.26 -4.95 113.62 104.22 2qdk n SER 173 Ca 0.03 0.34 -0.04 0.00 -0.26 0.00 0.00 58.87 58.93 2qdk n SER 173 Cb 0.12 0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 2qdk n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qdk n GLY 174 N 1.48 0.65 3.62 5.00 0.00 -1.16 -5.00 105.19 109.78 2qdk n GLY 174 Ca -0.14 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 2qdk n GLY 174 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qdk s ARG 175 N -1.74 2.33 -0.07 1.61 3.52 -1.26 -4.90 118.95 118.44 2qdk s ARG 175 Ca 0.00 -0.91 0.02 0.00 -0.13 0.00 0.00 55.73 54.71 2qdk s ARG 175 Cb 0.00 -2.41 0.01 0.00 -1.56 0.00 0.00 34.95 30.99 2qdk s ARG 175 CO 0.00 0.53 -0.12 0.08 -0.81 0.00 0.00 175.30 174.98 2qdk s VAL 176 N -1.21 1.18 0.71 7.11 1.01 -1.26 -4.93 120.40 123.01 2qdk s VAL 176 Ca 0.22 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 2qdk s VAL 176 Cb -0.11 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.20 2qdk s VAL 176 CO 0.14 0.37 1.05 0.55 0.00 0.00 0.00 175.10 177.21 2qdk n VAL 177 N 3.89 3.16 -0.31 2.92 3.14 -1.26 -4.56 118.33 125.31 2qdk n VAL 177 Ca -0.22 -0.38 0.14 0.00 -2.96 0.00 0.00 64.34 60.92 2qdk n VAL 177 Cb 0.52 -1.18 0.32 0.00 -1.06 0.00 0.00 33.84 32.43 2qdk n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2qdk h ARG 178 N -0.15 0.42 -0.83 1.45 2.43 -2.00 -0.05 114.38 115.64 2qdk h ARG 178 Ca -0.48 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 58.76 2qdk h ARG 178 Cb 1.33 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 2qdk h ARG 178 CO 0.48 0.28 0.54 -0.09 -1.51 0.00 0.00 179.97 179.67 2qdk h ARG 179 N 0.43 0.78 -0.01 0.20 2.43 -2.02 -2.63 114.38 113.57 2qdk h ARG 179 Ca 0.57 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 2qdk h ARG 179 Cb 1.08 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 2qdk h ARG 179 CO -0.52 0.52 -0.54 1.19 -1.51 0.00 0.00 179.97 179.11 2qdk n PHE 180 N -4.51 0.00 -1.96 2.20 3.01 -0.09 -4.76 117.46 111.36 2qdk n PHE 180 Ca 0.14 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.18 2qdk n PHE 180 Cb 0.31 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.75 2qdk n PHE 180 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2qdk s LYS 181 N -2.42 4.21 0.00 -1.08 2.20 -0.87 -1.82 119.74 119.95 2qdk s LYS 181 Ca 0.15 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 2qdk s LYS 181 Cb 0.16 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 2qdk s LYS 181 CO 0.58 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 2qdk n GLY 182 N 3.96 0.81 0.26 5.54 0.00 -1.26 -4.93 105.19 109.56 2qdk n GLY 182 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 2qdk n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qdk h SER 183 N 0.00 0.79 -0.29 1.61 4.64 -1.66 -2.90 113.55 115.74 2qdk h SER 183 Ca 0.00 -0.31 0.03 0.00 -0.47 0.00 0.00 61.79 61.04 2qdk h SER 183 Cb 0.02 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.86 2qdk h SER 183 CO 0.00 1.02 0.13 -0.03 -0.87 0.00 0.00 176.83 177.08 2qdk h MET 184 N 0.66 0.26 -0.85 4.77 -1.53 -1.91 0.17 114.93 116.50 2qdk h MET 184 Ca 0.08 -0.02 0.02 0.00 -3.44 0.00 0.00 59.70 56.35 2qdk h MET 184 Cb 0.80 -0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 31.74 2qdk h MET 184 CO 0.07 0.17 0.56 1.49 0.14 0.00 0.00 176.91 179.34 2qdk h GLU 185 N 0.27 1.07 -0.08 0.39 4.22 -1.96 0.03 114.58 118.53 2qdk h GLU 185 Ca 0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.49 2qdk h GLU 185 Cb 0.07 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 2qdk h GLU 185 CO -0.11 0.71 0.01 0.93 -2.18 0.00 0.00 179.01 178.38 2qdk h GLU 186 N 1.11 0.13 -0.98 1.92 5.08 -1.14 -1.26 114.58 119.43 2qdk h GLU 186 Ca 0.32 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2qdk h GLU 186 Cb -0.06 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 2qdk h GLU 186 CO -0.08 0.34 0.65 -1.49 -1.00 0.00 0.00 179.01 177.42 2qdk h TRP 187 N -0.11 1.23 -0.42 4.33 -0.00 -0.68 -2.01 115.95 118.28 2qdk h TRP 187 Ca 0.02 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.98 2qdk h TRP 187 Cb 0.27 -0.42 -0.04 0.00 -0.00 0.00 0.00 29.16 28.98 2qdk h TRP 187 CO 0.01 0.77 0.18 1.96 -0.00 0.00 0.00 178.44 181.36 2qdk h GLN 188 N 1.32 0.35 0.00 0.49 4.20 -0.81 -1.50 115.11 119.17 2qdk h GLN 188 Ca 0.36 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.01 2qdk h GLN 188 Cb -0.15 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.54 2qdk h GLN 188 CO -0.08 0.23 -0.17 0.00 -0.67 0.00 0.00 178.83 178.15 2qdk h ALA 189 N 1.25 1.53 -0.25 3.87 0.00 -0.89 -1.81 119.26 122.97 2qdk h ALA 189 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qdk h ALA 189 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qdk h ALA 189 CO -0.16 0.21 0.00 -1.33 0.00 0.00 0.00 179.25 177.96 2qdk n MET 190 N -4.06 1.83 -0.84 0.00 2.81 -0.79 -4.93 117.12 111.14 2qdk n MET 190 Ca -0.02 -1.26 0.00 0.00 -1.81 0.00 0.00 57.70 54.61 2qdk n MET 190 Cb 0.24 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 2qdk n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qdk n GLY 191 N 1.15 0.54 3.74 3.03 0.00 -0.68 -5.02 105.19 107.95 2qdk n GLY 191 Ca 0.15 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2qdk n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qdk s VAL 192 N -2.00 2.94 0.08 1.61 1.01 -0.63 -4.60 120.40 118.82 2qdk s VAL 192 Ca 0.00 0.77 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 2qdk s VAL 192 Cb 0.00 -3.49 -0.27 0.00 0.00 0.00 0.00 36.38 32.62 2qdk s VAL 192 CO 0.00 0.11 1.17 0.24 0.00 0.00 0.00 175.10 176.62 2qdk h MET 193 N 5.37 0.35 -1.80 2.72 0.00 -1.28 -3.42 114.93 116.87 2qdk h MET 193 Ca -0.45 -0.52 0.25 0.00 0.00 0.00 0.00 59.70 58.97 2qdk h MET 193 Cb 1.21 0.18 -0.13 0.00 0.00 0.00 0.00 31.60 32.87 2qdk h MET 193 CO 0.79 1.22 0.69 0.54 0.00 0.00 0.00 176.91 180.15 2qdk s ASN 194 N -7.19 -0.14 -0.04 1.22 4.22 -1.26 -1.17 114.94 110.58 2qdk s ASN 194 Ca -0.05 -0.17 0.00 0.00 -2.14 0.00 0.00 52.86 50.51 2qdk s ASN 194 Cb 0.07 0.27 -0.03 0.00 1.28 0.00 0.00 41.25 42.84 2qdk s ASN 194 CO 0.89 -0.49 -0.01 -0.31 -2.04 0.00 0.00 177.10 175.14 2qdk s TYR 195 N -2.74 3.09 0.00 1.54 2.02 -1.26 -0.37 117.35 119.62 2qdk s TYR 195 Ca 0.12 0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 2qdk s TYR 195 Cb 0.01 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 2qdk s TYR 195 CO -0.03 0.45 0.00 -0.85 -1.57 0.00 0.00 175.55 173.55 2qdk n GLU 196 N 1.74 0.00 0.00 -0.62 -0.00 -0.41 -4.59 120.64 116.75 2qdk n GLU 196 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 2qdk n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 2qdk n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2qdk n MET 197 N 0.00 0.66 0.00 3.44 2.81 -1.26 -0.53 117.12 122.24 2qdk n MET 197 Ca 0.00 -0.77 0.00 0.00 -1.81 0.00 0.00 57.70 55.12 2qdk n MET 197 Cb 0.00 -0.86 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 2qdk n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2qdk n GLU 198 N -0.17 2.59 0.03 0.03 4.71 -1.26 -3.25 120.64 123.32 2qdk n GLU 198 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 2qdk n GLU 198 Cb 0.19 -0.78 0.10 0.00 -1.01 0.00 0.00 31.44 29.94 2qdk n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2qdk h SER 199 N 0.00 0.48 -0.89 1.62 4.64 -1.94 -1.84 113.55 115.62 2qdk h SER 199 Ca 0.00 -0.25 0.05 0.00 -0.47 0.00 0.00 61.79 61.12 2qdk h SER 199 Cb 0.05 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 61.94 2qdk h SER 199 CO 0.00 0.92 0.57 0.00 -0.87 0.00 0.00 176.83 177.45 2qdk h ALA 200 N 1.09 1.19 0.15 5.18 0.00 -1.87 0.19 119.26 125.20 2qdk h ALA 200 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qdk h ALA 200 Cb 1.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2qdk h ALA 200 CO 0.09 0.37 -0.07 1.15 0.00 0.00 0.00 179.25 180.80 2qdk h THR 201 N 1.07 1.01 -0.04 0.00 2.02 -1.85 -1.82 112.91 113.30 2qdk h THR 201 Ca 0.37 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.75 2qdk h THR 201 Cb 0.08 1.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 2qdk h THR 201 CO -0.14 0.19 -0.24 0.25 0.37 0.00 0.00 175.52 175.94 2qdk h LEU 202 N -0.61 -0.73 -0.45 2.58 5.85 -1.16 -1.21 115.31 119.58 2qdk h LEU 202 Ca -0.02 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2qdk h LEU 202 Cb 0.46 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2qdk h LEU 202 CO 0.03 -0.31 0.04 -0.07 -0.34 0.00 0.00 178.44 177.79 2qdk h LEU 203 N -0.36 0.74 -0.14 2.25 3.38 -0.68 -2.41 115.31 118.10 2qdk h LEU 203 Ca 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2qdk h LEU 203 Cb 0.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2qdk h LEU 203 CO -0.24 0.84 0.03 0.74 0.09 0.00 0.00 178.44 179.90 2qdk h THR 204 N 0.62 1.21 -0.10 0.22 2.02 -1.24 0.14 112.91 115.78 2qdk h THR 204 Ca 0.13 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 2qdk h THR 204 Cb 0.44 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2qdk h THR 204 CO 0.02 0.20 -0.17 0.00 0.37 0.00 0.00 175.52 175.94 2qdk h MET 205 N 0.02 0.16 0.15 6.66 -0.00 -1.22 -1.98 114.93 118.72 2qdk h MET 205 Ca 0.04 -0.04 -0.20 0.00 -0.00 0.00 0.00 59.70 59.51 2qdk h MET 205 Cb 0.28 -0.02 0.02 0.00 -0.00 0.00 0.00 31.60 31.88 2qdk h MET 205 CO 0.00 0.34 -0.87 0.00 -0.00 0.00 0.00 176.91 176.38 2qdk h ALA 207 N 0.09 1.22 -0.26 0.00 0.00 -0.85 -1.53 119.26 117.93 2qdk h ALA 207 Ca -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2qdk h ALA 207 Cb 1.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2qdk h ALA 207 CO 0.16 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.46 2qdk n SER 208 N -3.59 2.93 -0.16 0.00 3.41 -0.76 -4.34 113.62 111.11 2qdk n SER 208 Ca -0.01 -1.92 0.02 0.00 -0.26 0.00 0.00 58.87 56.69 2qdk n SER 208 Cb 0.28 -0.16 0.02 0.00 -0.26 0.00 0.00 64.21 64.09 2qdk n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qdk n GLN 209 N 1.18 0.77 -1.08 4.33 6.02 -0.81 -5.01 117.38 122.77 2qdk n GLN 209 Ca 0.18 -1.18 -0.03 0.00 -0.01 0.00 0.00 57.00 55.96 2qdk n GLN 209 Cb 0.54 -0.76 -0.01 0.00 1.02 0.00 0.00 30.24 31.03 2qdk n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qdk n GLY 210 N -0.33 0.60 3.90 1.08 0.00 -1.00 -5.02 105.19 104.42 2qdk n GLY 210 Ca 0.03 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 2qdk n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qdk s LEU 211 N -0.65 4.35 -0.10 0.99 1.43 -0.64 -5.05 118.68 119.01 2qdk s LEU 211 Ca 0.00 0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 53.25 2qdk s LEU 211 Cb 0.00 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 2qdk s LEU 211 CO 0.00 0.24 0.44 -0.13 0.23 0.00 0.00 176.35 177.13 2qdk s ARG 212 N -2.09 4.25 0.04 1.70 0.52 -0.25 -4.00 118.95 119.12 2qdk s ARG 212 Ca 0.29 0.40 0.03 0.00 -0.52 0.00 0.00 55.73 55.93 2qdk s ARG 212 Cb -0.13 -3.39 -0.02 0.00 0.52 0.00 0.00 34.95 31.93 2qdk s ARG 212 CO 0.21 0.28 -0.09 0.00 0.02 0.00 0.00 175.30 175.72 2qdk s ALA 213 N 0.24 0.74 0.09 2.13 0.00 -1.26 -0.11 121.76 123.59 2qdk s ALA 213 Ca 0.24 -0.70 -0.07 0.00 0.00 0.00 0.00 51.96 51.44 2qdk s ALA 213 Cb -0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 2qdk s ALA 213 CO 0.10 0.08 0.15 0.20 0.00 0.00 0.00 175.76 176.29 2qdk s GLY 214 N -1.22 0.28 -0.10 0.00 0.00 -0.30 -1.15 107.32 104.84 2qdk s GLY 214 Ca -0.04 -0.84 -0.06 0.00 0.00 0.00 0.00 44.72 43.78 2qdk s GLY 214 CO 0.01 -0.95 0.24 -0.29 0.00 0.00 0.00 173.10 172.11 2qdk s MET 215 N -3.90 0.23 0.07 2.90 1.75 -1.26 -0.91 119.30 118.17 2qdk s MET 215 Ca 0.08 0.48 0.06 0.00 -1.25 0.00 0.00 55.69 55.06 2qdk s MET 215 Cb 0.05 -0.05 -0.03 0.00 2.84 0.00 0.00 34.83 37.64 2qdk s MET 215 CO -0.08 -0.13 -0.16 0.54 -0.65 0.00 0.00 175.02 174.54 2qdk s VAL 216 N 0.95 1.25 -0.03 10.11 0.11 -0.40 -2.47 120.40 129.92 2qdk s VAL 216 Ca -0.07 -1.28 -0.10 0.00 -2.93 0.00 0.00 61.98 57.60 2qdk s VAL 216 Cb -0.08 -1.17 0.01 0.00 -1.53 0.00 0.00 36.38 33.62 2qdk s VAL 216 CO -0.06 -0.13 0.23 0.00 -3.33 0.00 0.00 175.10 171.81 2qdk s ALA 217 N -1.14 -0.56 -0.12 1.54 0.00 -0.19 -1.92 121.76 119.37 2qdk s ALA 217 Ca 0.01 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.08 2qdk s ALA 217 Cb -0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 2qdk s ALA 217 CO 0.02 -0.20 0.29 0.20 0.00 0.00 0.00 175.76 176.07 2qdk s GLY 218 N -0.98 2.25 -0.21 0.00 0.00 -0.53 -0.38 107.32 107.47 2qdk s GLY 218 Ca -0.11 -0.44 -0.27 0.00 0.00 0.00 0.00 44.72 43.90 2qdk s GLY 218 CO 0.02 0.22 0.92 0.14 0.00 0.00 0.00 173.10 174.41 2qdk s VAL 219 N -0.12 4.78 -0.18 1.40 1.01 -0.49 -0.85 120.40 125.95 2qdk s VAL 219 Ca 0.18 1.79 0.06 0.00 0.00 0.00 0.00 61.98 64.01 2qdk s VAL 219 Cb -0.14 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 31.96 2qdk s VAL 219 CO 0.06 -0.09 0.21 2.30 0.00 0.00 0.00 175.10 177.58 2qdk n ILE 220 N 5.11 0.00 -3.62 2.22 -5.35 0.37 -0.95 119.36 117.13 2qdk n ILE 220 Ca 0.08 -0.28 -0.10 0.00 -0.27 0.00 0.00 62.75 62.18 2qdk n ILE 220 Cb 0.47 0.77 -0.04 0.00 -1.74 0.00 0.00 39.64 39.10 2qdk n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2qdk s VAL 221 N -1.87 0.06 -0.27 7.28 0.11 -1.23 -4.93 120.40 119.55 2qdk s VAL 221 Ca 0.01 -0.54 -0.01 0.00 -2.93 0.00 0.00 61.98 58.51 2qdk s VAL 221 Cb 0.04 -1.19 0.14 0.00 -1.53 0.00 0.00 36.38 33.84 2qdk s VAL 221 CO 0.25 -0.27 0.34 0.21 -3.33 0.00 0.00 175.10 172.29 2qdk s ASN 222 N -2.81 0.95 0.51 3.54 3.84 -1.26 -1.87 114.94 117.85 2qdk s ASN 222 Ca 0.03 -0.38 0.34 0.00 0.21 0.00 0.00 52.86 53.07 2qdk s ASN 222 Cb 0.01 0.80 1.79 0.00 -0.55 0.00 0.00 41.25 43.31 2qdk s ASN 222 CO -0.11 -0.35 2.05 0.08 -2.79 0.00 0.00 177.10 175.97 2qdk h ARG 223 N 8.22 0.00 -0.22 0.43 0.11 -1.97 0.23 114.38 121.17 2qdk h ARG 223 Ca -0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.94 2qdk h ARG 223 Cb 1.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.19 2qdk h ARG 223 CO 0.30 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.62 2qdk n THR 224 N -2.75 0.29 -4.51 0.08 -2.24 -1.26 -4.90 114.28 98.99 2qdk n THR 224 Ca -0.02 -0.41 -0.25 0.00 -2.27 0.00 0.00 64.05 61.10 2qdk n THR 224 Cb 0.10 0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 2qdk n THR 224 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2qdk s GLN 225 N -1.71 1.78 -0.59 -0.78 -0.21 0.07 -4.92 119.66 113.30 2qdk s GLN 225 Ca 0.31 -1.87 0.04 0.00 0.02 0.00 0.00 55.36 53.87 2qdk s GLN 225 Cb 0.17 -1.74 0.17 0.00 1.00 0.00 0.00 33.01 32.61 2qdk s GLN 225 CO 0.25 0.21 0.43 -0.65 -2.12 0.00 0.00 175.29 173.41 2qdk s GLN 226 N -3.58 1.86 0.00 2.91 -0.21 -1.26 -4.92 119.66 114.46 2qdk s GLN 226 Ca 0.32 -2.85 0.00 0.00 0.02 0.00 0.00 55.36 52.85 2qdk s GLN 226 Cb -0.00 -2.66 0.00 0.00 1.00 0.00 0.00 33.01 31.34 2qdk s GLN 226 CO 0.16 -1.32 0.00 0.43 -2.12 0.00 0.00 175.29 172.44 2qdk n SER 239 N 2.35 0.00 0.21 5.90 7.64 -1.26 -5.24 113.62 123.23 2qdk n SER 239 Ca 0.23 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.96 2qdk n SER 239 Cb 0.40 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.52 2qdk n SER 239 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2qdk h HIS 240 N 0.00 -0.47 -0.47 1.43 -0.00 -1.99 -0.44 115.15 113.22 2qdk h HIS 240 Ca 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.28 2qdk h HIS 240 Cb 0.00 0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.55 2qdk h HIS 240 CO 0.00 -0.29 -0.02 0.00 -0.00 0.00 0.00 177.93 177.62 2qdk h ALA 241 N 0.16 1.08 -0.49 2.45 0.00 -1.95 -1.65 119.26 118.85 2qdk h ALA 241 Ca -0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2qdk h ALA 241 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2qdk h ALA 241 CO 0.07 0.58 0.13 0.28 0.00 0.00 0.00 179.25 180.31 2qdk h VAL 242 N 0.73 1.24 -0.81 0.00 2.07 -1.94 -1.32 116.25 116.22 2qdk h VAL 242 Ca 0.14 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.85 2qdk h VAL 242 Cb 0.48 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2qdk h VAL 242 CO 0.02 0.30 0.53 0.11 0.02 0.00 0.00 177.57 178.55 2qdk h LYS 243 N 0.67 1.08 -0.22 1.57 1.57 -0.75 -2.15 116.57 118.34 2qdk h LYS 243 Ca 0.16 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2qdk h LYS 243 Cb 0.31 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2qdk h LYS 243 CO -0.00 0.72 0.13 0.82 -0.57 0.00 0.00 179.45 180.55 2qdk h ILE 244 N 1.11 1.02 -0.29 1.86 2.04 -1.07 -0.62 117.51 121.56 2qdk h ILE 244 Ca 0.30 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.96 2qdk h ILE 244 Cb -0.12 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2qdk h ILE 244 CO -0.06 0.05 -0.27 1.62 0.00 0.00 0.00 178.15 179.49 2qdk h VAL 245 N 0.27 1.27 -0.20 1.67 3.04 -0.96 0.16 116.25 121.49 2qdk h VAL 245 Ca 0.09 -1.34 -0.16 0.00 -1.01 0.00 0.00 66.70 64.28 2qdk h VAL 245 Cb -0.00 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2qdk h VAL 245 CO -0.04 0.43 -0.50 0.58 -1.01 0.00 0.00 177.57 177.02 2qdk h VAL 246 N 0.51 1.31 -0.96 1.51 2.07 -1.33 -0.74 116.25 118.62 2qdk h VAL 246 Ca 0.07 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.86 2qdk h VAL 246 Cb 0.72 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 2qdk h VAL 246 CO 0.06 0.54 0.61 -0.08 0.02 0.00 0.00 177.57 178.72 2qdk h GLU 247 N 0.40 1.28 -0.48 1.57 4.57 -0.94 -2.29 114.58 118.69 2qdk h GLU 247 Ca -0.01 -0.09 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 2qdk h GLU 247 Cb 1.12 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 2qdk h GLU 247 CO 0.11 0.87 -0.09 0.00 -1.18 0.00 0.00 179.01 178.71 2qdk h ALA 248 N 1.37 0.94 -0.99 2.92 0.00 -0.56 -3.06 119.26 119.87 2qdk h ALA 248 Ca 0.35 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qdk h ALA 248 Cb -0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 2qdk h ALA 248 CO -0.07 0.62 0.66 0.00 0.00 0.00 0.00 179.25 180.46 2qdk h ALA 249 N 1.11 1.30 0.00 0.00 0.00 -0.58 -1.97 119.26 119.13 2qdk h ALA 249 Ca 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2qdk h ALA 249 Cb 0.60 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qdk h ALA 249 CO 0.04 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.84 2qdk h ARG 250 N 1.34 0.00 0.00 0.00 3.08 -1.37 -1.48 114.38 115.95 2qdk h ARG 250 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 2qdk h ARG 250 Cb -0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2qdk h ARG 250 CO -0.08 0.10 -0.12 0.54 -1.07 0.00 0.00 179.97 179.34 2qdk n ARG 251 N -4.26 0.21 -0.03 0.04 1.74 -0.75 -3.67 116.66 109.94 2qdk n ARG 251 Ca -0.03 0.15 0.08 0.00 -0.77 0.00 0.00 57.85 57.29 2qdk n ARG 251 Cb 0.18 -1.72 0.09 0.00 -1.02 0.00 0.00 32.46 29.98 2qdk n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qdk n LEU 252 N -2.08 2.54 0.00 0.55 4.77 -0.59 -5.08 117.00 117.11 2qdk n LEU 252 Ca 0.05 -1.12 0.14 0.00 -0.03 0.00 0.00 56.01 55.05 2qdk n LEU 252 Cb 0.41 -0.04 0.85 0.00 -2.33 0.00 0.00 43.42 42.31 2qdk n LEU 252 CO 0.31 0.48 1.02 0.18 -1.33 0.00 0.00 177.39 178.05