#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qdk s SER 4 N 0.00 -0.66 0.00 4.39 0.15 -1.26 -4.53 113.70 111.79 2qdk s SER 4 Ca 0.00 1.22 0.27 0.00 0.70 0.00 0.00 55.95 58.14 2qdk s SER 4 Cb 0.00 1.22 0.89 0.00 -1.71 0.00 0.00 66.02 66.42 2qdk s SER 4 CO 0.00 -0.26 1.65 0.47 1.20 0.00 0.00 173.24 176.30 2qdk n ASP 5 N 2.55 1.39 -4.21 5.45 8.00 0.21 -4.92 116.55 125.02 2qdk n ASP 5 Ca -0.14 -1.29 -0.12 0.00 0.71 0.00 0.00 54.79 53.94 2qdk n ASP 5 Cb 0.56 0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.62 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 -2.20 0.76 0.07 2.53 -7.23 -1.24 -5.04 120.40 108.06 2qdk s VAL 6 Ca 0.32 -1.97 -0.17 0.00 -1.81 0.00 0.00 61.98 58.35 2qdk s VAL 6 Cb 0.20 -1.89 -0.12 0.00 0.56 0.00 0.00 36.38 35.14 2qdk s VAL 6 CO 0.41 -0.69 1.37 -0.26 -0.31 0.00 0.00 175.10 175.61 2qdk h PHE 7 N 2.82 0.71 0.00 2.82 -1.00 -1.95 -3.40 116.94 116.95 2qdk h PHE 7 Ca -0.36 -0.23 -0.25 0.00 2.81 0.00 0.00 57.97 59.94 2qdk h PHE 7 Cb 1.19 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 40.56 2qdk h PHE 7 CO 0.58 0.95 -1.94 0.72 -1.61 0.00 0.00 178.31 177.01 2qdk n HIS 8 N -4.33 0.00 0.23 -0.55 8.25 -1.26 -4.73 115.22 112.83 2qdk n HIS 8 Ca -0.05 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.53 2qdk n HIS 8 Cb 0.47 -0.64 0.36 0.00 1.12 0.00 0.00 29.99 31.30 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 -0.02 2.41 3.38 -1.93 -3.45 115.31 115.70 2qdk h LEU 9 Ca -0.37 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.38 2qdk h LEU 9 Cb 1.58 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.38 2qdk h LEU 9 CO -0.05 0.08 -0.34 0.61 0.09 0.00 0.00 178.44 178.83 2qdk n GLY 10 N 0.66 0.06 3.32 0.83 0.00 -1.26 -4.69 105.19 104.11 2qdk n GLY 10 Ca 0.02 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.99 2.29 0.27 0.99 1.43 -1.26 -4.81 118.68 113.60 2qdk s LEU 11 Ca 0.20 -0.69 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 2qdk s LEU 11 Cb -0.09 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 2qdk s LEU 11 CO 0.25 0.12 0.10 0.42 0.23 0.00 0.00 176.35 177.47 2qdk s THR 12 N -1.07 3.81 0.37 5.49 -4.23 -1.26 -0.62 115.64 118.12 2qdk s THR 12 Ca 0.09 -1.67 0.08 0.00 -1.18 0.00 0.00 61.69 59.01 2qdk s THR 12 Cb -0.10 -3.09 0.31 0.00 1.34 0.00 0.00 72.50 70.96 2qdk s THR 12 CO 0.04 -0.34 1.93 0.50 -0.54 0.00 0.00 174.62 176.22 2qdk h LYS 13 N 1.67 0.67 -0.25 3.99 1.63 -1.97 -2.04 116.57 120.28 2qdk h LYS 13 Ca -0.46 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.25 2qdk h LYS 13 Cb 1.25 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.71 2qdk h LYS 13 CO 0.61 0.45 -0.08 -0.97 -3.45 0.00 0.00 179.45 176.00 2qdk h ASN 14 N 0.69 0.37 -0.42 4.20 -1.24 -1.94 -2.01 115.58 115.23 2qdk h ASN 14 Ca 0.35 -0.08 0.12 0.00 0.71 0.00 0.00 56.30 57.40 2qdk h ASN 14 Cb 0.44 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.38 2qdk h ASN 14 CO -0.13 0.50 0.31 0.44 -1.29 0.00 0.00 177.43 177.26 2qdk h ASP 15 N 0.37 0.00 1.85 1.15 3.45 -1.77 -2.57 116.42 118.90 2qdk h ASP 15 Ca 0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.54 2qdk h ASP 15 Cb 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 2qdk h ASP 15 CO 0.02 0.00 -0.06 -0.07 -1.57 0.00 0.00 179.24 177.56 2qdk h LEU 16 N 0.00 0.00 -1.17 1.55 4.07 -1.44 -3.48 115.31 114.84 2qdk h LEU 16 Ca 0.20 -0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.69 2qdk h LEU 16 Cb 0.81 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.53 2qdk h LEU 16 CO -0.00 0.00 -0.78 0.00 -1.08 0.00 0.00 178.44 176.58 2qdk n GLN 17 N -2.93 -5.21 -0.79 1.13 1.13 -0.97 -1.36 117.38 108.36 2qdk n GLN 17 Ca 0.04 0.58 0.00 0.00 -1.94 0.00 0.00 57.00 55.68 2qdk n GLN 17 Cb 0.51 -5.37 0.00 0.00 0.11 0.00 0.00 30.24 25.49 2qdk n GLN 17 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qdk n GLY 18 N -1.67 0.76 3.71 1.08 0.00 -1.26 -4.57 105.19 103.24 2qdk n GLY 18 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2qdk n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qdk n ALA 19 N 0.38 1.68 -0.21 4.61 0.00 -0.47 -4.88 120.51 121.63 2qdk n ALA 19 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2qdk n ALA 19 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.11 2qdk n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qdk n GLN 20 N 1.61 -0.61 -4.49 0.00 6.02 -1.26 -4.26 117.38 114.39 2qdk n GLN 20 Ca 0.08 -0.45 -0.22 0.00 -0.01 0.00 0.00 57.00 56.41 2qdk n GLN 20 Cb 0.35 -0.89 -0.16 0.00 1.02 0.00 0.00 30.24 30.56 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 1.81 -0.01 1.08 0.20 -1.26 -0.76 118.68 119.70 2qdk s LEU 21 Ca 0.00 -0.23 0.07 0.00 0.69 0.00 0.00 54.13 54.66 2qdk s LEU 21 Cb 0.00 -0.65 -0.02 0.00 -0.43 0.00 0.00 46.19 45.09 2qdk s LEU 21 CO 0.00 0.08 -0.21 0.00 -0.29 0.00 0.00 176.35 175.93 2qdk s ALA 22 N 0.17 1.78 -0.21 5.97 0.00 0.10 -1.93 121.76 127.64 2qdk s ALA 22 Ca -0.03 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 50.88 2qdk s ALA 22 Cb -0.09 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 2qdk s ALA 22 CO 0.01 0.43 0.13 0.42 0.00 0.00 0.00 175.76 176.75 2qdk s ILE 23 N -0.55 5.31 -0.45 0.00 1.01 0.74 -1.15 121.20 126.11 2qdk s ILE 23 Ca 0.08 0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.91 2qdk s ILE 23 Cb -0.08 -3.43 0.13 0.00 0.01 0.00 0.00 42.46 39.08 2qdk s ILE 23 CO -0.00 0.42 0.22 0.68 0.00 0.00 0.00 174.94 176.26 2qdk s VAL 24 N 0.56 1.74 0.70 2.92 -7.23 0.33 -1.59 120.40 117.82 2qdk s VAL 24 Ca 0.07 -2.67 -0.11 0.00 -1.81 0.00 0.00 61.98 57.46 2qdk s VAL 24 Cb -0.12 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.61 2qdk s VAL 24 CO 0.00 -0.84 1.08 -2.16 -0.31 0.00 0.00 175.10 172.87 2qdk s PRO 25 N 0.29 2.83 0.00 4.82 0.04 -1.23 -3.25 135.00 138.51 2qdk s PRO 25 Ca 0.17 0.39 -0.17 0.00 0.04 0.00 0.00 61.00 61.43 2qdk s PRO 25 Cb -0.24 -2.05 -0.34 0.00 0.04 0.00 0.00 34.50 31.91 2qdk s PRO 25 CO -0.02 -1.02 0.94 0.78 0.04 0.00 0.00 177.00 177.73 2qdk h GLY 26 N -0.61 0.55 -6.46 0.56 0.00 -1.85 -1.58 103.07 93.67 2qdk h GLY 26 Ca -0.45 -1.40 -0.61 0.00 0.00 0.00 0.00 47.33 44.87 2qdk h GLY 26 CO 0.64 1.23 0.06 -0.35 0.00 0.00 0.00 176.54 178.11 2qdk s ASP 27 N -7.43 6.54 0.47 0.19 3.68 -1.26 -1.97 116.67 116.89 2qdk s ASP 27 Ca -0.11 0.66 0.20 0.00 2.13 0.00 0.00 52.55 55.42 2qdk s ASP 27 Cb 0.03 -2.31 1.20 0.00 -1.45 0.00 0.00 42.92 40.39 2qdk s ASP 27 CO 0.91 -0.29 1.96 1.55 0.13 0.00 0.00 175.17 179.43 2qdk h PRO 28 N 7.80 0.23 0.00 4.34 0.13 -1.87 -0.75 132.00 141.87 2qdk h PRO 28 Ca -0.29 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2qdk h PRO 28 Cb 1.14 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2qdk h PRO 28 CO 0.75 0.15 0.00 0.93 -0.23 0.00 0.00 178.00 179.60 2qdk h GLU 29 N 0.24 0.00 0.00 0.86 5.08 -1.95 -2.54 114.58 116.27 2qdk h GLU 29 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2qdk h GLU 29 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2qdk h GLU 29 CO -0.06 0.00 -0.36 -0.09 -1.00 0.00 0.00 179.01 177.50 2qdk h ARG 30 N 0.00 0.00 0.25 2.33 9.65 -1.54 -3.39 114.38 121.68 2qdk h ARG 30 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2qdk h ARG 30 Cb 0.38 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 2qdk h ARG 30 CO 0.00 0.00 -0.18 0.28 2.80 0.00 0.00 179.97 182.87 2qdk h VAL 31 N 0.00 0.62 -0.63 0.20 2.07 -1.52 -2.17 116.25 114.82 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 0.88 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 2qdk h VAL 31 CO 0.00 0.00 0.31 -0.08 0.02 0.00 0.00 177.57 177.82 2qdk h GLU 32 N -0.43 0.55 -0.67 1.57 4.81 -1.77 -1.39 114.58 117.26 2qdk h GLU 32 Ca -0.02 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.26 2qdk h GLU 32 Cb 0.37 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 2qdk h GLU 32 CO 0.00 0.37 0.32 0.87 -0.73 0.00 0.00 179.01 179.84 2qdk h LYS 33 N 0.57 0.54 -0.18 1.92 1.57 -1.70 -1.53 116.57 117.77 2qdk h LYS 33 Ca 0.29 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.91 2qdk h LYS 33 Cb 0.25 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2qdk h LYS 33 CO -0.22 0.36 -0.41 0.82 -0.57 0.00 0.00 179.45 179.43 2qdk h ILE 34 N 0.56 1.34 0.00 1.86 2.04 -0.85 -3.04 117.51 119.41 2qdk h ILE 34 Ca 0.32 -1.66 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 2qdk h ILE 34 Cb 0.33 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2qdk h ILE 34 CO -0.26 0.51 -0.08 0.00 0.00 0.00 0.00 178.15 178.32 2qdk h ALA 35 N 0.57 1.78 0.00 1.87 0.00 -1.05 -2.14 119.26 120.30 2qdk h ALA 35 Ca -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2qdk h ALA 35 Cb 1.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2qdk h ALA 35 CO 0.09 0.10 -0.14 0.00 0.00 0.00 0.00 179.25 179.30 2qdk h ALA 36 N 1.92 1.17 0.00 0.00 0.00 -1.16 -1.70 119.26 119.49 2qdk h ALA 36 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2qdk h ALA 36 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2qdk h ALA 36 CO 0.01 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.72 2qdk n LEU 37 N -3.51 0.00 -4.77 0.00 4.77 -0.80 -4.80 117.00 107.89 2qdk n LEU 37 Ca -0.01 0.26 -0.31 0.00 -0.03 0.00 0.00 56.01 55.92 2qdk n LEU 37 Cb 0.30 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 2qdk n LEU 37 CO 0.30 -0.09 -0.21 -0.04 -1.33 0.00 0.00 177.39 176.02 2qdk s MET 38 N -2.53 2.18 0.35 3.23 -1.94 -0.64 -5.13 119.30 114.82 2qdk s MET 38 Ca 0.20 -2.31 -0.13 0.00 -1.71 0.00 0.00 55.69 51.75 2qdk s MET 38 Cb 0.14 -1.63 -0.08 0.00 2.01 0.00 0.00 34.83 35.26 2qdk s MET 38 CO 0.30 -0.36 0.74 0.34 -0.01 0.00 0.00 175.02 176.03 2qdk s ASP 39 N -3.92 6.68 -1.36 3.03 2.15 -0.70 -4.42 116.67 118.12 2qdk s ASP 39 Ca 0.13 1.21 -0.06 0.00 0.43 0.00 0.00 52.55 54.26 2qdk s ASP 39 Cb 0.02 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 2qdk s ASP 39 CO 0.07 -0.27 0.45 0.29 -0.17 0.00 0.00 175.17 175.55 2qdk n LYS 40 N -0.68 -2.45 -2.42 4.34 5.02 -1.26 -0.55 118.16 120.16 2qdk n LYS 40 Ca 0.03 0.35 -0.41 0.00 -2.02 0.00 0.00 58.31 56.26 2qdk n LYS 40 Cb 0.53 -4.20 -0.03 0.00 -0.02 0.00 0.00 35.03 31.31 2qdk n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2qdk s PRO 41 N -6.62 4.49 -0.03 1.97 0.04 -1.26 -4.46 135.00 129.14 2qdk s PRO 41 Ca 0.12 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2qdk s PRO 41 Cb -0.05 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.23 2qdk s PRO 41 CO 0.90 -0.12 0.01 0.08 0.04 0.00 0.00 177.00 177.91 2qdk s VAL 42 N 0.34 0.13 0.22 -0.36 1.01 0.19 -4.99 120.40 116.94 2qdk s VAL 42 Ca 0.54 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.34 2qdk s VAL 42 Cb -0.31 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.75 2qdk s VAL 42 CO 0.33 0.14 1.20 -0.75 0.00 0.00 0.00 175.10 176.02 2qdk s LYS 43 N 1.05 4.50 -0.11 2.72 2.20 -1.26 -0.35 119.74 128.48 2qdk s LYS 43 Ca -0.09 1.91 -0.10 0.00 -0.36 0.00 0.00 55.97 57.33 2qdk s LYS 43 Cb -0.13 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 2qdk s LYS 43 CO -0.02 -0.05 -0.22 1.28 -0.36 0.00 0.00 175.35 175.98 2qdk n LEU 44 N 2.07 1.47 -3.43 5.43 4.77 -0.19 -4.89 117.00 122.23 2qdk n LEU 44 Ca 0.03 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.12 2qdk n LEU 44 Cb 0.44 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 2qdk n LEU 44 CO 0.56 -0.13 0.41 0.00 -1.33 0.00 0.00 177.39 176.89 2qdk s ALA 45 N -2.47 -1.62 -0.17 -1.18 0.00 -1.11 -5.02 121.76 110.20 2qdk s ALA 45 Ca -0.21 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 2qdk s ALA 45 Cb 0.05 0.78 0.08 0.00 0.00 0.00 0.00 23.12 24.03 2qdk s ALA 45 CO 0.28 -0.72 0.26 0.45 0.00 0.00 0.00 175.76 176.04 2qdk s SER 46 N -2.56 0.68 -0.06 0.00 0.15 -1.26 -1.11 113.70 109.54 2qdk s SER 46 Ca -0.00 0.28 -0.04 0.00 0.70 0.00 0.00 55.95 56.88 2qdk s SER 46 Cb -0.01 0.65 0.03 0.00 -1.71 0.00 0.00 66.02 64.98 2qdk s SER 46 CO -0.10 -0.28 0.15 -1.00 1.20 0.00 0.00 173.24 173.21 2qdk s HIS 47 N 2.40 -0.17 0.00 3.44 3.76 -0.47 -4.99 115.29 119.26 2qdk s HIS 47 Ca 0.05 0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.41 2qdk s HIS 47 Cb -0.14 -0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.53 2qdk s HIS 47 CO -0.11 -0.13 0.00 0.54 -0.85 0.00 0.00 174.74 174.19 2qdk n ARG 48 N 3.71 0.00 -0.18 1.40 1.74 -1.26 -0.27 116.66 121.81 2qdk n ARG 48 Ca -0.21 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 56.92 2qdk n ARG 48 Cb 0.55 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 32.13 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 1.81 -3.45 5.56 0.00 -1.26 -4.78 120.64 132.53 2qdk n GLU 49 Ca 0.00 -1.17 -0.43 0.00 0.00 0.00 0.00 57.16 55.56 2qdk n GLU 49 Cb 0.00 -1.29 -0.07 0.00 0.00 0.00 0.00 31.44 30.08 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 -1.58 3.37 -0.17 -1.84 0.40 0.63 -4.00 117.98 114.79 2qdk s PHE 50 Ca 0.22 -1.67 -0.05 0.00 -0.60 0.00 0.00 56.93 54.83 2qdk s PHE 50 Cb 0.12 -3.63 -0.03 0.00 0.51 0.00 0.00 43.02 39.98 2qdk s PHE 50 CO 0.14 -1.00 -0.01 0.99 0.70 0.00 0.00 175.22 176.04 2qdk s THR 51 N 1.36 4.09 -0.03 0.64 2.01 -1.26 -1.37 115.64 121.09 2qdk s THR 51 Ca 0.06 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.81 2qdk s THR 51 Cb -0.27 -2.82 -0.00 0.00 0.01 0.00 0.00 72.50 69.42 2qdk s THR 51 CO 0.00 0.47 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.34 2qdk s SER 52 N 0.50 1.60 0.19 3.53 1.04 -0.27 -1.15 113.70 119.14 2qdk s SER 52 Ca -0.01 -0.25 0.08 0.00 0.48 0.00 0.00 55.95 56.24 2qdk s SER 52 Cb -0.14 -0.37 -0.04 0.00 0.10 0.00 0.00 66.02 65.57 2qdk s SER 52 CO 0.02 0.12 -0.16 0.26 0.98 0.00 0.00 173.24 174.46 2qdk s TRP 53 N 0.02 1.78 0.09 5.02 0.52 0.66 -1.02 118.94 126.02 2qdk s TRP 53 Ca -0.01 -0.51 0.07 0.00 0.02 0.00 0.00 56.10 55.67 2qdk s TRP 53 Cb -0.09 -0.85 -0.04 0.00 -1.15 0.00 0.00 33.47 31.34 2qdk s TRP 53 CO 0.01 0.36 -0.14 0.50 0.02 0.00 0.00 176.95 177.70 2qdk s ARG 54 N -3.23 2.04 0.12 4.98 3.52 0.53 -1.10 118.95 125.81 2qdk s ARG 54 Ca 0.19 -1.05 -0.00 0.00 -0.13 0.00 0.00 55.73 54.75 2qdk s ARG 54 Cb -0.03 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.12 2qdk s ARG 54 CO 0.07 0.51 0.15 0.00 -0.81 0.00 0.00 175.30 175.22 2qdk n ALA 55 N 0.92 -0.06 -2.83 6.12 0.00 0.57 -0.63 120.51 124.60 2qdk n ALA 55 Ca -0.15 -0.56 -0.19 0.00 0.00 0.00 0.00 53.44 52.55 2qdk n ALA 55 Cb 0.52 0.45 -0.15 0.00 0.00 0.00 0.00 19.45 20.27 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 -2.29 0.80 -0.16 0.00 2.02 0.29 -0.31 118.70 119.04 2qdk s GLU 56 Ca 0.10 -0.30 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 2qdk s GLU 56 Cb -0.00 -0.76 0.05 0.00 0.10 0.00 0.00 34.13 33.51 2qdk s GLU 56 CO 0.07 0.16 -0.02 -1.17 0.02 0.00 0.00 175.26 174.32 2qdk s LEU 57 N -0.04 1.41 -1.60 1.80 2.96 0.20 -1.72 118.68 121.69 2qdk s LEU 57 Ca 0.01 -0.65 -0.15 0.00 -0.22 0.00 0.00 54.13 53.12 2qdk s LEU 57 Cb -0.05 -0.78 0.11 0.00 0.50 0.00 0.00 46.19 45.97 2qdk s LEU 57 CO -0.00 -0.22 0.85 0.47 -1.32 0.00 0.00 176.35 176.13 2qdk n ASP 58 N 4.95 -3.69 0.00 3.68 9.92 -1.26 -1.74 116.55 128.41 2qdk n ASP 58 Ca -0.10 -0.91 0.00 0.00 -0.53 0.00 0.00 54.79 53.25 2qdk n ASP 58 Cb 0.48 -3.30 0.00 0.00 -0.64 0.00 0.00 41.12 37.66 2qdk n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qdk n GLY 59 N -1.57 0.97 3.46 0.44 0.00 -1.26 -5.04 105.19 102.20 2qdk n GLY 59 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.45 2.70 0.41 1.61 1.02 -0.71 -5.08 119.74 119.25 2qdk s LYS 60 Ca 0.00 -0.68 -0.26 0.00 0.02 0.00 0.00 55.97 55.04 2qdk s LYS 60 Cb 0.00 -2.45 -0.09 0.00 -0.52 0.00 0.00 37.83 34.77 2qdk s LYS 60 CO 0.00 0.54 1.38 0.00 -0.92 0.00 0.00 175.35 176.36 2qdk s ALA 61 N -0.52 3.35 0.01 5.17 0.00 -1.26 -0.63 121.76 127.88 2qdk s ALA 61 Ca 0.07 1.38 -0.00 0.00 0.00 0.00 0.00 51.96 53.41 2qdk s ALA 61 Cb -0.12 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 2qdk s ALA 61 CO 0.02 -0.97 -0.00 0.14 0.00 0.00 0.00 175.76 174.94 2qdk s VAL 62 N -1.20 0.05 -0.09 0.00 -7.23 0.58 -4.29 120.40 108.22 2qdk s VAL 62 Ca 0.56 -0.40 -0.03 0.00 -1.81 0.00 0.00 61.98 60.30 2qdk s VAL 62 Cb -0.42 -0.13 -0.04 0.00 0.56 0.00 0.00 36.38 36.36 2qdk s VAL 62 CO 0.55 -0.22 0.05 -0.63 -0.31 0.00 0.00 175.10 174.54 2qdk s ILE 63 N -0.64 4.72 -0.16 -0.62 -1.09 -0.81 -0.31 121.20 122.28 2qdk s ILE 63 Ca -0.07 -0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.25 2qdk s ILE 63 Cb -0.04 -3.02 0.01 0.00 -1.58 0.00 0.00 42.46 37.83 2qdk s ILE 63 CO -0.00 0.60 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.44 2qdk s VAL 64 N -0.95 2.39 -0.04 2.92 1.01 -0.26 -0.18 120.40 125.29 2qdk s VAL 64 Ca 0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 2qdk s VAL 64 Cb -0.12 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.30 2qdk s VAL 64 CO 0.03 0.52 0.08 0.00 0.00 0.00 0.00 175.10 175.73 2qdk s SER 66 N 1.05 6.43 -0.01 0.00 1.04 -0.30 -3.55 113.70 118.36 2qdk s SER 66 Ca -0.08 1.65 0.12 0.00 0.48 0.00 0.00 55.95 58.11 2qdk s SER 66 Cb -0.12 -2.52 -0.16 0.00 0.10 0.00 0.00 66.02 63.33 2qdk s SER 66 CO -0.04 -0.72 0.37 0.35 0.98 0.00 0.00 173.24 174.17 2qdk n THR 67 N -1.61 0.00 -0.60 2.02 -2.24 -0.59 -4.41 114.28 106.84 2qdk n THR 67 Ca 0.07 -0.25 0.08 0.00 -2.27 0.00 0.00 64.05 61.68 2qdk n THR 67 Cb 0.54 0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 69.32 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 1.57 -1.63 3.72 3.38 0.00 -0.83 -3.20 105.19 108.19 2qdk n GLY 68 Ca -0.00 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.66 4.93 0.00 -0.61 1.01 -1.26 -4.72 121.20 118.89 2qdk s ILE 69 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.41 2qdk s ILE 69 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.29 2qdk s ILE 69 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2qdk n GLY 70 N 2.94 1.58 0.34 6.18 0.00 -1.25 -4.60 105.19 110.38 2qdk n GLY 70 Ca 0.02 -1.79 0.03 0.00 0.00 0.00 0.00 46.02 44.29 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 1.43 0.91 -0.02 0.00 -1.85 -2.20 103.07 101.34 2qdk h GLY 71 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2qdk h GLY 71 CO 0.00 0.23 0.11 -2.55 0.00 0.00 0.00 176.54 174.32 2qdk h PRO 72 N 0.99 0.34 -0.13 4.80 0.11 -1.94 0.23 132.00 136.40 2qdk h PRO 72 Ca 0.42 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.37 2qdk h PRO 72 Cb 0.29 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 2qdk h PRO 72 CO -0.21 0.37 -0.40 0.66 -0.21 0.00 0.00 178.00 178.20 2qdk h SER 73 N 0.24 0.31 -0.82 -2.05 4.64 -1.79 -2.73 113.55 111.35 2qdk h SER 73 Ca 0.08 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2qdk h SER 73 Cb 0.14 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 2qdk h SER 73 CO -0.01 0.68 0.52 0.74 -0.87 0.00 0.00 176.83 177.90 2qdk h THR 74 N 0.25 1.22 -0.15 2.95 2.02 -1.06 -2.17 112.91 115.97 2qdk h THR 74 Ca 0.02 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 2qdk h THR 74 Cb 0.82 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2qdk h THR 74 CO 0.07 0.22 -0.16 0.77 0.37 0.00 0.00 175.52 176.78 2qdk h SER 75 N 1.12 0.23 -0.02 4.18 4.64 -0.27 -0.71 113.55 122.72 2qdk h SER 75 Ca 0.30 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2qdk h SER 75 Cb -0.09 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2qdk h SER 75 CO -0.06 0.42 -0.00 0.40 -0.87 0.00 0.00 176.83 176.71 2qdk h ILE 76 N 0.23 1.28 -0.69 0.95 2.04 -1.19 -2.26 117.51 117.87 2qdk h ILE 76 Ca 0.04 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 2qdk h ILE 76 Cb 0.43 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 2qdk h ILE 76 CO 0.03 0.22 0.22 0.00 0.00 0.00 0.00 178.15 178.61 2qdk h ALA 77 N 0.66 0.91 -0.20 1.87 0.00 -1.14 -1.29 119.26 120.07 2qdk h ALA 77 Ca 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2qdk h ALA 77 Cb 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2qdk h ALA 77 CO 0.00 0.59 -0.07 0.28 0.00 0.00 0.00 179.25 180.06 2qdk h VAL 78 N 1.02 1.30 -0.20 0.00 2.07 -1.17 -0.59 116.25 118.68 2qdk h VAL 78 Ca 0.22 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.67 2qdk h VAL 78 Cb 0.30 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2qdk h VAL 78 CO -0.01 0.33 0.11 -0.08 0.02 0.00 0.00 177.57 177.94 2qdk h GLU 79 N 0.10 0.23 -0.29 1.57 4.57 -1.28 0.61 114.58 120.09 2qdk h GLU 79 Ca 0.05 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.08 2qdk h GLU 79 Cb 0.53 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2qdk h GLU 79 CO 0.02 0.15 -0.39 0.93 -1.18 0.00 0.00 179.01 178.55 2qdk h GLU 80 N 0.23 0.68 -0.83 1.92 5.08 -1.19 -0.75 114.58 119.73 2qdk h GLU 80 Ca 0.08 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 2qdk h GLU 80 Cb -0.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2qdk h GLU 80 CO -0.04 0.95 0.41 -0.07 -1.00 0.00 0.00 179.01 179.27 2qdk h LEU 81 N 0.56 1.07 -0.81 1.33 3.38 -0.93 -1.97 115.31 117.93 2qdk h LEU 81 Ca 0.05 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2qdk h LEU 81 Cb 0.91 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2qdk h LEU 81 CO 0.08 0.89 0.36 0.00 0.09 0.00 0.00 178.44 179.86 2qdk h ALA 82 N 1.28 1.05 -0.28 1.53 0.00 -0.44 -0.86 119.26 121.54 2qdk h ALA 82 Ca 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qdk h ALA 82 Cb 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2qdk h ALA 82 CO -0.04 0.64 0.13 1.96 0.00 0.00 0.00 179.25 181.94 2qdk h GLN 83 N 1.17 0.38 -0.01 0.00 4.20 -0.70 -1.66 115.11 118.49 2qdk h GLN 83 Ca 0.28 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2qdk h GLN 83 Cb 0.16 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2qdk h GLN 83 CO -0.03 0.31 -0.05 1.28 -0.67 0.00 0.00 178.83 179.67 2qdk n LEU 84 N -4.44 0.84 0.00 1.46 4.77 -0.78 -4.93 117.00 113.92 2qdk n LEU 84 Ca 0.01 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2qdk n LEU 84 Cb 0.12 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2qdk n LEU 84 CO 0.36 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2qdk n GLY 85 N 1.17 0.93 3.73 -0.72 0.00 -0.63 -4.83 105.19 104.85 2qdk n GLY 85 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 3.52 0.00 -0.61 -1.09 -0.40 -4.54 121.20 116.08 2qdk s ILE 86 Ca 0.00 1.23 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 2qdk s ILE 86 Cb 0.00 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 2qdk s ILE 86 CO 0.00 0.17 0.03 0.54 -1.23 0.00 0.00 174.94 174.45 2qdk n ARG 87 N 2.84 5.16 -4.31 2.79 5.12 0.06 -4.17 116.66 124.15 2qdk n ARG 87 Ca 0.06 -0.03 -0.22 0.00 -1.93 0.00 0.00 57.85 55.73 2qdk n ARG 87 Cb 0.44 -0.44 -0.16 0.00 -1.16 0.00 0.00 32.46 31.13 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 -0.75 0.78 -0.10 0.55 2.01 -0.80 -1.04 115.64 116.29 2qdk s THR 88 Ca 0.00 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.76 2qdk s THR 88 Cb 0.00 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.77 2qdk s THR 88 CO 0.00 0.28 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.68 2qdk s PHE 89 N 0.85 2.01 -0.26 4.92 0.40 0.61 -0.73 117.98 125.78 2qdk s PHE 89 Ca -0.12 -0.90 0.00 0.00 -0.60 0.00 0.00 56.93 55.31 2qdk s PHE 89 Cb -0.15 -1.43 0.04 0.00 0.51 0.00 0.00 43.02 42.00 2qdk s PHE 89 CO 0.01 -0.44 -0.08 -0.51 0.70 0.00 0.00 175.22 174.90 2qdk s LEU 90 N 0.82 3.38 0.05 -0.37 1.43 -0.30 -1.41 118.68 122.28 2qdk s LEU 90 Ca -0.10 -1.16 -0.24 0.00 -1.03 0.00 0.00 54.13 51.60 2qdk s LEU 90 Cb -0.16 -1.62 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 2qdk s LEU 90 CO 0.01 -0.17 0.73 -0.60 0.23 0.00 0.00 176.35 176.55 2qdk s ARG 91 N 1.22 4.46 -0.16 1.70 3.52 -0.37 -0.52 118.95 128.80 2qdk s ARG 91 Ca -0.04 1.01 0.01 0.00 -0.13 0.00 0.00 55.73 56.57 2qdk s ARG 91 Cb -0.18 -3.35 0.02 0.00 -1.56 0.00 0.00 34.95 29.89 2qdk s ARG 91 CO -0.05 0.34 -0.15 -1.50 -0.81 0.00 0.00 175.30 173.13 2qdk s ILE 92 N -0.22 1.72 0.22 4.11 1.10 -1.20 -1.43 121.20 125.51 2qdk s ILE 92 Ca 0.37 -0.78 0.02 0.00 -0.51 0.00 0.00 60.65 59.75 2qdk s ILE 92 Cb -0.20 -1.62 -0.01 0.00 0.15 0.00 0.00 42.46 40.78 2qdk s ILE 92 CO 0.22 0.44 0.09 0.61 -2.11 0.00 0.00 174.94 174.19 2qdk n GLY 93 N 4.72 3.60 3.52 1.50 0.00 -0.36 -4.07 105.19 114.10 2qdk n GLY 93 Ca -0.18 -2.01 -0.28 0.00 0.00 0.00 0.00 46.02 43.56 2qdk n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qdk s THR 94 N -2.43 2.93 0.07 2.61 -4.23 -1.26 -1.35 115.64 111.98 2qdk s THR 94 Ca 0.12 -1.65 -0.15 0.00 -1.18 0.00 0.00 61.69 58.83 2qdk s THR 94 Cb 0.01 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.46 2qdk s THR 94 CO 0.09 -0.03 0.34 0.28 -0.54 0.00 0.00 174.62 174.76 2qdk s THR 95 N -1.49 0.08 -0.27 3.99 -1.32 -0.31 -4.86 115.64 111.46 2qdk s THR 95 Ca 0.22 -0.66 -0.08 0.00 -1.21 0.00 0.00 61.69 59.95 2qdk s THR 95 Cb -0.09 -1.04 -0.02 0.00 -1.51 0.00 0.00 72.50 69.84 2qdk s THR 95 CO 0.12 -0.36 0.11 -0.83 -2.21 0.00 0.00 174.62 171.45 2qdk s GLY 96 N -2.31 1.81 0.38 6.08 0.00 -1.15 -0.18 107.32 111.96 2qdk s GLY 96 Ca -0.02 -1.22 -0.23 0.00 0.00 0.00 0.00 44.72 43.24 2qdk s GLY 96 CO -0.06 0.60 0.96 0.00 0.00 0.00 0.00 173.10 174.60 2qdk s ALA 97 N 1.62 3.11 -0.15 3.20 0.00 0.13 -1.35 121.76 128.33 2qdk s ALA 97 Ca 0.06 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.51 2qdk s ALA 97 Cb -0.16 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.81 2qdk s ALA 97 CO 0.05 0.12 0.76 0.44 0.00 0.00 0.00 175.76 177.13 2qdk n ILE 98 N -0.07 0.44 -3.96 0.00 -5.35 -0.31 0.27 119.36 110.38 2qdk n ILE 98 Ca 0.05 -0.72 -0.36 0.00 -0.27 0.00 0.00 62.75 61.45 2qdk n ILE 98 Cb 0.52 0.79 -0.08 0.00 -1.74 0.00 0.00 39.64 39.14 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 -0.51 3.59 0.31 6.28 -1.52 -1.24 -4.72 119.66 121.85 2qdk s GLN 99 Ca 0.02 -0.23 0.06 0.00 -1.95 0.00 0.00 55.36 53.26 2qdk s GLN 99 Cb 0.01 -3.17 0.73 0.00 -0.22 0.00 0.00 33.01 30.37 2qdk s GLN 99 CO 0.02 0.59 1.79 -1.35 -0.25 0.00 0.00 175.29 176.09 2qdk h PRO 100 N 5.61 0.76 -0.57 2.91 0.11 -1.96 -2.81 132.00 136.05 2qdk h PRO 100 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2qdk h PRO 100 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2qdk h PRO 100 CO 0.63 0.50 0.00 0.72 -0.21 0.00 0.00 178.00 179.64 2qdk n HIS 101 N -4.73 0.90 -3.87 0.65 8.25 -1.26 -4.77 115.22 110.39 2qdk n HIS 101 Ca 0.23 -0.38 -0.36 0.00 -0.26 0.00 0.00 57.72 56.95 2qdk n HIS 101 Cb 0.55 -0.12 -0.11 0.00 1.12 0.00 0.00 29.99 31.43 2qdk n HIS 101 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qdk s ILE 102 N -1.59 4.64 0.15 1.59 1.01 -1.06 -5.09 121.20 120.84 2qdk s ILE 102 Ca 0.35 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.93 2qdk s ILE 102 Cb 0.21 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 2qdk s ILE 102 CO 0.19 0.38 0.30 0.20 0.00 0.00 0.00 174.94 176.02 2qdk s ASN 103 N 1.05 6.36 0.23 3.58 0.01 -1.26 -4.88 114.94 120.03 2qdk s ASN 103 Ca 0.04 0.27 -0.32 0.00 -0.71 0.00 0.00 52.86 52.15 2qdk s ASN 103 Cb -0.14 -1.96 -0.12 0.00 0.41 0.00 0.00 41.25 39.44 2qdk s ASN 103 CO 0.03 0.05 1.61 0.52 -1.51 0.00 0.00 177.10 177.80 2qdk n VAL 104 N -0.39 0.45 0.00 1.60 0.31 -1.26 -1.00 118.33 118.03 2qdk n VAL 104 Ca -0.06 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2qdk n VAL 104 Cb 0.53 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 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 3.04 1.48 3.72 2.92 0.00 0.06 -5.00 105.19 111.41 2qdk n GLY 105 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.81 3.63 -0.14 1.61 -0.00 -0.17 -4.70 116.67 115.09 2qdk s ASP 106 Ca 0.00 1.72 -0.00 0.00 -0.00 0.00 0.00 52.55 54.27 2qdk s ASP 106 Cb 0.00 -2.37 -0.01 0.00 -0.00 0.00 0.00 42.92 40.54 2qdk s ASP 106 CO 0.00 -2.57 -0.12 -0.69 -0.00 0.00 0.00 175.17 171.78 2qdk s VAL 107 N -2.85 3.06 -0.14 -1.27 1.01 -0.32 -1.17 120.40 118.73 2qdk s VAL 107 Ca 0.63 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 2qdk s VAL 107 Cb -0.19 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 2qdk s VAL 107 CO 0.57 0.52 -0.07 -0.76 0.00 0.00 0.00 175.10 175.36 2qdk s LEU 108 N 0.45 3.05 -0.20 3.92 1.43 -0.13 -1.40 118.68 125.80 2qdk s LEU 108 Ca -0.09 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.76 2qdk s LEU 108 Cb -0.16 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2qdk s LEU 108 CO 0.05 0.18 -0.00 -0.69 0.23 0.00 0.00 176.35 176.11 2qdk s VAL 109 N 0.28 3.97 -0.23 -1.59 1.01 0.36 -1.22 120.40 122.98 2qdk s VAL 109 Ca -0.06 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 2qdk s VAL 109 Cb -0.15 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2qdk s VAL 109 CO 0.04 0.44 0.51 -0.89 0.00 0.00 0.00 175.10 175.19 2qdk s THR 110 N 0.92 5.09 0.09 3.92 2.01 -0.82 -1.67 115.64 125.18 2qdk s THR 110 Ca 0.01 0.90 0.02 0.00 0.31 0.00 0.00 61.69 62.93 2qdk s THR 110 Cb -0.14 -3.83 -0.24 0.00 0.01 0.00 0.00 72.50 68.30 2qdk s THR 110 CO 0.02 0.13 1.18 0.71 -0.69 0.00 0.00 174.62 175.97 2qdk h THR 111 N 5.27 1.58 -2.08 -0.82 1.35 -1.40 -3.41 112.91 113.39 2qdk h THR 111 Ca -0.31 -3.23 0.17 0.00 -0.55 0.00 0.00 66.41 62.49 2qdk h THR 111 Cb 1.15 2.87 -0.13 0.00 -1.73 0.00 0.00 68.15 70.30 2qdk h THR 111 CO 0.73 0.92 0.58 0.00 -0.25 0.00 0.00 175.52 177.49 2qdk s ALA 112 N -2.68 -1.86 0.06 6.62 0.00 -1.26 -1.30 121.76 121.34 2qdk s ALA 112 Ca -0.02 0.83 0.07 0.00 0.00 0.00 0.00 51.96 52.84 2qdk s ALA 112 Cb 0.09 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2qdk s ALA 112 CO 0.85 -0.81 -0.18 0.45 0.00 0.00 0.00 175.76 176.07 2qdk s SER 113 N -2.61 2.17 0.02 0.00 0.15 -0.19 -1.74 113.70 111.49 2qdk s SER 113 Ca 0.09 -0.55 -0.30 0.00 0.70 0.00 0.00 55.95 55.89 2qdk s SER 113 Cb -0.00 -0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 64.11 2qdk s SER 113 CO -0.05 0.08 1.26 -0.69 1.20 0.00 0.00 173.24 175.04 2qdk s VAL 114 N -0.93 3.97 -1.18 4.45 1.01 0.82 -4.36 120.40 124.17 2qdk s VAL 114 Ca 0.05 1.37 -0.15 0.00 0.00 0.00 0.00 61.98 63.25 2qdk s VAL 114 Cb -0.09 -3.88 0.16 0.00 0.00 0.00 0.00 36.38 32.57 2qdk s VAL 114 CO 0.02 0.05 1.42 -0.13 0.00 0.00 0.00 175.10 176.46 2qdk s ARG 115 N 1.72 4.03 -0.46 2.72 0.52 -1.26 -1.53 118.95 124.69 2qdk s ARG 115 Ca 0.59 -2.44 0.03 0.00 -0.52 0.00 0.00 55.73 53.40 2qdk s ARG 115 Cb -0.29 -5.08 0.63 0.00 0.52 0.00 0.00 34.95 30.73 2qdk s ARG 115 CO 0.26 -1.80 1.91 1.28 0.02 0.00 0.00 175.30 176.97 2qdk n LEU 116 N 5.96 6.75 0.00 2.53 4.77 -0.07 -4.92 117.00 132.02 2qdk n LEU 116 Ca 0.36 -3.62 -0.34 0.00 -0.03 0.00 0.00 56.01 52.38 2qdk n LEU 116 Cb 0.44 -0.85 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 2qdk n LEU 116 CO 0.62 1.08 -0.24 -0.90 -1.33 0.00 0.00 177.39 176.62 2qdk n ASP 117 N -1.08 3.45 -0.03 -1.43 3.85 -1.18 -1.42 116.55 118.70 2qdk n ASP 117 Ca 0.59 -3.30 -0.03 0.00 -0.71 0.00 0.00 54.79 51.34 2qdk n ASP 117 Cb 1.55 0.36 -0.05 0.00 -1.35 0.00 0.00 41.12 41.63 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 -1.29 -0.33 0.21 6.12 0.00 -1.26 -4.74 105.19 103.90 2qdk n GLY 118 Ca -0.21 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.34 1.30 -0.46 4.61 0.00 -1.98 -2.19 119.26 120.88 2qdk h ALA 119 Ca -0.18 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.51 2qdk h ALA 119 Cb 1.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2qdk h ALA 119 CO 0.01 0.48 0.32 0.66 0.00 0.00 0.00 179.25 180.72 2qdk h SER 120 N 0.18 0.18 0.72 0.00 4.64 -1.85 0.09 113.55 117.51 2qdk h SER 120 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2qdk h SER 120 Cb 0.62 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2qdk h SER 120 CO 0.05 0.11 0.00 0.18 -0.87 0.00 0.00 176.83 176.30 2qdk n LEU 121 N -4.45 0.15 -0.15 5.97 4.77 -0.82 -1.33 117.00 121.14 2qdk n LEU 121 Ca 0.07 0.53 0.15 0.00 -0.03 0.00 0.00 56.01 56.73 2qdk n LEU 121 Cb 0.38 -0.50 0.75 0.00 -2.33 0.00 0.00 43.42 41.73 2qdk n LEU 121 CO 0.35 -0.23 0.99 1.41 -1.33 0.00 0.00 177.39 178.58 2qdk n HIS 122 N -1.66 0.00 0.00 -1.77 8.25 0.02 -4.01 115.22 116.05 2qdk n HIS 122 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2qdk n HIS 122 Cb 0.24 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.70 0.00 -3.61 4.41 3.01 -0.44 -5.08 117.46 115.04 2qdk n PHE 123 Ca 0.20 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.50 2qdk n PHE 123 Cb 0.22 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.62 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 -1.88 -1.40 0.91 4.37 0.00 -0.69 -5.00 121.76 118.07 2qdk s ALA 124 Ca 0.00 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 2qdk s ALA 124 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 23.12 23.26 2qdk s ALA 124 CO 0.00 -0.33 1.09 -1.25 0.00 0.00 0.00 175.76 175.27 2qdk s PRO 125 N -1.20 1.14 0.60 0.00 0.04 -1.26 -3.98 135.00 130.33 2qdk s PRO 125 Ca -0.12 0.78 0.31 0.00 0.04 0.00 0.00 61.00 62.01 2qdk s PRO 125 Cb -0.02 -1.80 1.86 0.00 0.04 0.00 0.00 34.50 34.58 2qdk s PRO 125 CO 0.08 -2.31 2.25 1.98 0.04 0.00 0.00 177.00 179.04 2qdk h MET 126 N -1.60 0.00 0.00 4.56 4.05 -1.94 -1.33 114.93 118.67 2qdk h MET 126 Ca -0.50 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.91 2qdk h MET 126 Cb 1.29 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.09 2qdk h MET 126 CO 0.55 0.00 -0.05 0.93 0.23 0.00 0.00 176.91 178.57 2qdk h GLU 127 N 0.00 0.00 -6.70 0.39 3.07 -2.03 -3.43 114.58 105.88 2qdk h GLU 127 Ca 0.01 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.35 2qdk h GLU 127 Cb 0.05 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 27.98 2qdk h GLU 127 CO -0.00 0.05 0.54 0.12 -1.40 0.00 0.00 179.01 178.31 2qdk s PHE 128 N -3.71 3.46 0.05 4.33 2.19 -0.50 -4.99 117.98 118.81 2qdk s PHE 128 Ca 0.01 1.50 -0.30 0.00 0.33 0.00 0.00 56.93 58.47 2qdk s PHE 128 Cb 0.09 -3.40 -0.04 0.00 -1.31 0.00 0.00 43.02 38.37 2qdk s PHE 128 CO 0.56 -1.03 0.96 -1.25 1.83 0.00 0.00 175.22 176.28 2qdk s PRO 129 N -0.56 4.62 -1.26 10.12 0.04 -1.26 -4.94 135.00 141.76 2qdk s PRO 129 Ca 0.51 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.79 2qdk s PRO 129 Cb -0.32 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 30.79 2qdk s PRO 129 CO 0.38 0.08 2.03 0.00 0.04 0.00 0.00 177.00 179.53 2qdk n ALA 130 N 3.35 4.28 -2.73 8.56 0.00 -1.26 -4.76 120.51 127.95 2qdk n ALA 130 Ca 0.04 -3.68 -0.35 0.00 0.00 0.00 0.00 53.44 49.45 2qdk n ALA 130 Cb 0.50 -3.57 -0.09 0.00 0.00 0.00 0.00 19.45 16.29 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 4.53 4.41 0.64 0.00 0.11 -1.26 -1.03 120.40 127.81 2qdk s VAL 131 Ca 0.53 -0.20 -0.15 0.00 -2.93 0.00 0.00 61.98 59.23 2qdk s VAL 131 Cb 0.10 -2.88 -0.01 0.00 -1.53 0.00 0.00 36.38 32.07 2qdk s VAL 131 CO 0.01 0.59 1.08 0.00 -3.33 0.00 0.00 175.10 173.45 2qdk s ALA 132 N -0.71 2.60 0.27 1.54 0.00 -0.42 -4.65 121.76 120.39 2qdk s ALA 132 Ca 0.11 0.42 -0.29 0.00 0.00 0.00 0.00 51.96 52.20 2qdk s ALA 132 Cb -0.12 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 2qdk s ALA 132 CO 0.02 -1.09 1.30 0.34 0.00 0.00 0.00 175.76 176.33 2qdk s ASP 133 N -2.84 6.86 0.22 0.00 -1.08 -0.06 -4.94 116.67 114.83 2qdk s ASP 133 Ca 0.64 2.54 -0.07 0.00 -0.52 0.00 0.00 52.55 55.14 2qdk s ASP 133 Cb -0.18 -2.63 0.18 0.00 -1.46 0.00 0.00 42.92 38.83 2qdk s ASP 133 CO 0.42 -0.50 1.80 0.15 0.52 0.00 0.00 175.17 177.55 2qdk h PHE 134 N 4.27 1.23 -0.54 -5.34 3.57 -1.95 -1.48 116.94 116.69 2qdk h PHE 134 Ca -0.47 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 60.85 2qdk h PHE 134 Cb 1.22 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 2qdk h PHE 134 CO 0.59 0.90 -0.08 0.00 -2.23 0.00 0.00 178.31 177.49 2qdk h ALA 135 N 1.20 0.74 -0.40 2.41 0.00 -1.95 -0.44 119.26 120.83 2qdk h ALA 135 Ca 0.28 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2qdk h ALA 135 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2qdk h ALA 135 CO -0.03 0.63 -0.20 0.00 0.00 0.00 0.00 179.25 179.65 2qdk h THR 137 N 0.64 1.24 -0.39 0.00 2.02 -1.18 -1.17 112.91 114.07 2qdk h THR 137 Ca 0.09 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 2qdk h THR 137 Cb 0.76 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2qdk h THR 137 CO 0.06 0.30 0.17 0.74 0.37 0.00 0.00 175.52 177.16 2qdk h THR 138 N 0.79 1.19 -0.80 3.16 2.02 -0.94 -1.44 112.91 116.88 2qdk h THR 138 Ca 0.18 -0.57 0.09 0.00 0.77 0.00 0.00 66.41 66.88 2qdk h THR 138 Cb 0.28 0.84 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 2qdk h THR 138 CO -0.01 0.21 0.46 0.00 0.37 0.00 0.00 175.52 176.55 2qdk h ALA 139 N 1.01 1.14 -0.33 6.16 0.00 -0.68 -1.07 119.26 125.49 2qdk h ALA 139 Ca 0.13 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2qdk h ALA 139 Cb 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2qdk h ALA 139 CO -0.01 0.10 -0.41 -0.07 0.00 0.00 0.00 179.25 178.86 2qdk h LEU 140 N 0.78 0.87 -0.46 0.00 3.38 -0.83 -1.00 115.31 118.05 2qdk h LEU 140 Ca 0.38 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2qdk h LEU 140 Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2qdk h LEU 140 CO -0.24 1.16 -0.06 0.58 0.09 0.00 0.00 178.44 179.98 2qdk h VAL 141 N 0.66 1.27 -0.49 1.22 2.07 -0.90 -1.54 116.25 118.54 2qdk h VAL 141 Ca 0.05 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.33 2qdk h VAL 141 Cb 0.97 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2qdk h VAL 141 CO 0.09 0.40 -0.03 -0.33 0.02 0.00 0.00 177.57 177.72 2qdk h GLU 142 N 0.70 0.84 -0.29 1.57 5.08 -1.14 -2.75 114.58 118.58 2qdk h GLU 142 Ca 0.12 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 2qdk h GLU 142 Cb 0.59 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2qdk h GLU 142 CO 0.04 0.85 -0.25 0.00 -1.00 0.00 0.00 179.01 178.65 2qdk h ALA 143 N 1.19 1.02 -0.31 3.43 0.00 -0.96 -2.33 119.26 121.30 2qdk h ALA 143 Ca 0.14 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2qdk h ALA 143 Cb 0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2qdk h ALA 143 CO 0.03 0.59 -0.15 0.00 0.00 0.00 0.00 179.25 179.71 2qdk h ALA 144 N 1.23 1.16 -0.68 0.00 0.00 -1.00 -0.35 119.26 119.62 2qdk h ALA 144 Ca 0.07 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2qdk h ALA 144 Cb 0.70 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2qdk h ALA 144 CO 0.05 0.53 0.25 0.87 0.00 0.00 0.00 179.25 180.96 2qdk h LYS 145 N 0.50 1.04 -0.36 0.00 1.57 -1.29 -1.16 116.57 116.87 2qdk h LYS 145 Ca 0.09 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 2qdk h LYS 145 Cb 0.56 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2qdk h LYS 145 CO 0.04 0.88 -0.06 1.03 -0.57 0.00 0.00 179.45 180.76 2qdk h SER 146 N 0.98 0.68 0.72 0.86 0.87 -0.78 -3.19 113.55 113.69 2qdk h SER 146 Ca 0.22 -0.35 -0.21 0.00 -1.23 0.00 0.00 61.79 60.22 2qdk h SER 146 Cb 0.25 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2qdk h SER 146 CO -0.01 0.87 -0.96 0.40 -0.53 0.00 0.00 176.83 176.60 2qdk h ILE 147 N 0.48 1.56 -2.18 2.23 5.03 -1.10 -3.50 117.51 120.04 2qdk h ILE 147 Ca 0.09 -2.91 0.00 0.00 -0.12 0.00 0.00 64.86 61.93 2qdk h ILE 147 Cb 0.56 2.64 0.00 0.00 -3.03 0.00 0.00 36.82 37.00 2qdk h ILE 147 CO 0.03 0.84 0.00 0.61 -0.68 0.00 0.00 178.15 178.95 2qdk n GLY 148 N 1.09 -2.21 3.55 5.37 0.00 -0.44 -5.10 105.19 107.45 2qdk n GLY 148 Ca -0.03 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 -1.83 -0.27 4.61 0.00 -1.22 -5.01 121.76 118.04 2qdk s ALA 149 Ca 0.00 1.49 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 2qdk s ALA 149 Cb 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 2qdk s ALA 149 CO 0.00 -0.34 1.27 0.99 0.00 0.00 0.00 175.76 177.67 2qdk s THR 150 N -0.94 4.22 -0.01 0.00 2.01 -1.26 -4.90 115.64 114.76 2qdk s THR 150 Ca -0.07 1.41 0.06 0.00 0.31 0.00 0.00 61.69 63.40 2qdk s THR 150 Cb -0.01 -4.15 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 2qdk s THR 150 CO 0.06 -0.39 -0.21 -0.89 -0.69 0.00 0.00 174.62 172.50 2qdk s THR 151 N 4.08 1.64 0.04 -0.82 2.01 -1.26 -1.17 115.64 120.17 2qdk s THR 151 Ca 0.55 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.71 2qdk s THR 151 Cb -0.17 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 2qdk s THR 151 CO 0.20 0.46 -0.18 -1.00 -0.69 0.00 0.00 174.62 173.41 2qdk s HIS 152 N -0.50 1.54 -0.11 4.92 3.76 -0.49 -4.98 115.29 119.43 2qdk s HIS 152 Ca 0.08 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.64 2qdk s HIS 152 Cb -0.08 -0.92 0.02 0.00 1.11 0.00 0.00 32.58 32.71 2qdk s HIS 152 CO -0.01 0.06 -0.13 0.08 -0.85 0.00 0.00 174.74 173.90 2qdk s VAL 153 N -0.80 1.35 -2.80 -0.90 1.01 -1.26 -0.49 120.40 116.52 2qdk s VAL 153 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2qdk s VAL 153 Cb -0.08 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.03 2qdk s VAL 153 CO 0.01 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2qdk n GLY 154 N 4.42 -0.61 3.82 4.51 0.00 -0.67 -4.94 105.19 111.72 2qdk n GLY 154 Ca -0.18 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.78 4.81 0.04 1.61 1.01 -1.26 -0.97 120.40 121.86 2qdk s VAL 155 Ca 0.00 1.12 0.08 0.00 0.00 0.00 0.00 61.98 63.18 2qdk s VAL 155 Cb 0.00 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2qdk s VAL 155 CO 0.00 0.56 -0.22 -0.89 0.00 0.00 0.00 175.10 174.55 2qdk s THR 156 N -1.08 2.49 -0.25 3.92 2.01 -0.71 -0.82 115.64 121.19 2qdk s THR 156 Ca 0.28 -1.25 -0.15 0.00 0.31 0.00 0.00 61.69 60.87 2qdk s THR 156 Cb -0.19 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 2qdk s THR 156 CO 0.18 0.37 0.37 0.00 -0.69 0.00 0.00 174.62 174.85 2qdk s ALA 157 N -0.85 3.57 -0.30 7.40 0.00 0.34 -0.13 121.76 131.78 2qdk s ALA 157 Ca 0.13 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 2qdk s ALA 157 Cb -0.10 -2.67 0.03 0.00 0.00 0.00 0.00 23.12 20.38 2qdk s ALA 157 CO 0.03 -0.52 0.05 0.45 0.00 0.00 0.00 175.76 175.77 2qdk s SER 158 N 1.42 4.99 -0.04 0.00 0.15 -0.58 -1.63 113.70 118.01 2qdk s SER 158 Ca 0.16 -0.97 0.02 0.00 0.70 0.00 0.00 55.95 55.86 2qdk s SER 158 Cb -0.15 -1.81 -0.03 0.00 -1.71 0.00 0.00 66.02 62.32 2qdk s SER 158 CO 0.09 -0.23 -0.07 -0.55 1.20 0.00 0.00 173.24 173.68 2qdk s SER 159 N 1.39 4.63 0.00 5.45 0.15 0.26 -0.89 113.70 124.70 2qdk s SER 159 Ca -0.01 -0.07 0.26 0.00 0.70 0.00 0.00 55.95 56.84 2qdk s SER 159 Cb -0.18 -1.13 1.36 0.00 -1.71 0.00 0.00 66.02 64.36 2qdk s SER 159 CO 0.01 0.33 1.90 0.47 1.20 0.00 0.00 173.24 177.14 2qdk n ASP 160 N 1.96 0.00 -4.20 5.45 10.43 -0.51 -4.34 116.55 125.35 2qdk n ASP 160 Ca -0.17 -0.21 -0.16 0.00 2.57 0.00 0.00 54.79 56.82 2qdk n ASP 160 Cb 0.53 -0.24 -0.11 0.00 1.84 0.00 0.00 41.12 43.14 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 -2.48 1.08 0.03 -3.53 -4.23 -1.26 -5.01 115.64 100.23 2qdk s THR 161 Ca 0.27 -1.64 0.10 0.00 -1.18 0.00 0.00 61.69 59.24 2qdk s THR 161 Cb 0.18 -1.39 -0.17 0.00 1.34 0.00 0.00 72.50 72.46 2qdk s THR 161 CO 0.38 -0.49 1.15 0.15 -0.54 0.00 0.00 174.62 175.28 2qdk h PHE 162 N 3.60 0.00 0.00 3.99 3.04 -1.97 -3.38 116.94 122.21 2qdk h PHE 162 Ca -0.38 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.57 2qdk h PHE 162 Cb 1.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2qdk h PHE 162 CO 0.64 0.90 0.00 0.66 -2.02 0.00 0.00 178.31 178.49 2qdk n TYR 163 N -3.24 0.00 0.11 0.41 4.02 -1.26 -4.40 117.16 112.80 2qdk n TYR 163 Ca -0.04 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.87 2qdk n TYR 163 Cb 0.92 0.00 0.35 0.00 -0.02 0.00 0.00 39.34 40.60 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 0.23 0.00 -0.72 0.13 -1.87 -0.68 132.00 129.10 2qdk h PRO 164 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2qdk h PRO 164 Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 2qdk h PRO 164 CO 0.00 0.42 0.00 0.78 -0.23 0.00 0.00 178.00 178.97 2qdk h GLY 165 N 0.85 0.00 -2.46 1.56 0.00 -1.87 -0.57 103.07 100.58 2qdk h GLY 165 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 2qdk h GLY 165 CO 0.03 0.00 0.07 -1.06 0.00 0.00 0.00 176.54 175.58 2qdk n GLN 166 N -2.95 3.11 -4.12 4.80 6.02 -0.88 -4.93 117.38 118.43 2qdk n GLN 166 Ca 0.01 -3.01 -0.39 0.00 -0.01 0.00 0.00 57.00 53.60 2qdk n GLN 166 Cb 0.28 -1.99 -0.02 0.00 1.02 0.00 0.00 30.24 29.53 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 -0.44 -0.79 -3.51 -1.09 2.13 -0.22 -4.93 120.64 111.78 2qdk n GLU 167 Ca 0.30 0.13 -0.38 0.00 0.66 0.00 0.00 57.16 57.87 2qdk n GLU 167 Cb 1.10 -3.16 -0.06 0.00 0.27 0.00 0.00 31.44 29.59 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 -7.26 3.92 0.00 5.31 0.52 -0.31 -4.99 118.95 116.14 2qdk s ARG 168 Ca 0.29 0.38 0.06 0.00 -0.52 0.00 0.00 55.73 55.93 2qdk s ARG 168 Cb -0.15 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 2qdk s ARG 168 CO 0.97 0.66 0.39 0.66 0.02 0.00 0.00 175.30 178.00 2qdk n TYR 169 N 1.95 0.00 -1.07 -0.53 4.02 -1.26 -4.52 117.16 115.74 2qdk n TYR 169 Ca -0.14 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.43 2qdk n TYR 169 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.82 2qdk n TYR 169 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2qdk n ASP 170 N -0.70 6.33 -4.28 7.72 10.43 -1.26 -4.41 116.55 130.38 2qdk n ASP 170 Ca 0.02 -2.49 -0.15 0.00 2.57 0.00 0.00 54.79 54.74 2qdk n ASP 170 Cb 0.12 -1.33 -0.10 0.00 1.84 0.00 0.00 41.12 41.64 2qdk n ASP 170 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2qdk s THR 171 N 2.98 0.68 0.23 -3.53 -4.23 -1.26 -5.03 115.64 105.48 2qdk s THR 171 Ca 0.54 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.99 2qdk s THR 171 Cb 0.14 -2.32 0.19 0.00 1.34 0.00 0.00 72.50 71.85 2qdk s THR 171 CO -0.04 -0.30 1.74 0.22 -0.54 0.00 0.00 174.62 175.70 2qdk h TYR 172 N 2.56 0.46 0.00 3.99 5.03 -1.99 -2.81 116.97 124.22 2qdk h TYR 172 Ca -0.37 0.03 -0.25 0.00 2.58 0.00 0.00 58.73 60.72 2qdk h TYR 172 Cb 1.22 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 39.36 2qdk h TYR 172 CO 0.51 0.08 -1.44 0.66 -1.32 0.00 0.00 178.16 176.65 2qdk h SER 173 N 0.43 0.00 -0.63 -2.11 4.64 -1.97 -3.48 113.55 110.44 2qdk h SER 173 Ca 0.37 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.42 2qdk h SER 173 Cb 0.52 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.50 2qdk h SER 173 CO -0.36 0.94 -0.25 0.61 -0.87 0.00 0.00 176.83 176.90 2qdk n GLY 174 N 1.47 1.40 3.19 -0.77 0.00 -1.06 -4.99 105.19 104.43 2qdk n GLY 174 Ca -0.11 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 2qdk n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qdk s ARG 175 N -3.12 0.99 -0.01 1.61 1.70 -1.26 -4.95 118.95 113.90 2qdk s ARG 175 Ca 0.00 -1.47 0.01 0.00 -0.47 0.00 0.00 55.73 53.80 2qdk s ARG 175 Cb 0.00 -0.01 0.01 0.00 -0.57 0.00 0.00 34.95 34.38 2qdk s ARG 175 CO 0.00 -0.19 -0.04 0.08 -1.08 0.00 0.00 175.30 174.08 2qdk s VAL 176 N -3.85 0.36 0.69 4.99 1.01 -1.26 -4.93 120.40 117.41 2qdk s VAL 176 Ca 0.23 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 2qdk s VAL 176 Cb 0.07 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 36.11 2qdk s VAL 176 CO 0.02 0.13 1.20 0.55 0.00 0.00 0.00 175.10 177.00 2qdk n VAL 177 N 3.34 3.92 -0.30 2.92 3.14 -1.26 -4.53 118.33 125.57 2qdk n VAL 177 Ca -0.17 -0.42 0.09 0.00 -2.96 0.00 0.00 64.34 60.88 2qdk n VAL 177 Cb 0.56 -1.34 0.21 0.00 -1.06 0.00 0.00 33.84 32.21 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 0.09 0.06 -0.84 1.45 2.43 -2.01 -0.10 114.38 115.47 2qdk h ARG 178 Ca -0.49 -0.00 0.18 0.00 -0.81 0.00 0.00 59.98 58.85 2qdk h ARG 178 Cb 1.33 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.81 2qdk h ARG 178 CO 0.50 0.04 0.56 -0.09 -1.51 0.00 0.00 179.97 179.47 2qdk h ARG 179 N 0.07 0.40 -0.01 0.20 2.43 -2.02 -2.42 114.38 113.02 2qdk h ARG 179 Ca 0.50 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 2qdk h ARG 179 Cb 0.94 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2qdk h ARG 179 CO -0.79 0.26 -0.45 1.19 -1.51 0.00 0.00 179.97 178.67 2qdk n PHE 180 N -4.49 0.00 -1.78 2.20 3.01 -0.11 -4.77 117.46 111.52 2qdk n PHE 180 Ca 0.17 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.21 2qdk n PHE 180 Cb 0.62 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.06 2qdk n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2qdk s LYS 181 N -2.14 4.16 0.00 -1.08 1.02 -0.85 -1.64 119.74 119.21 2qdk s LYS 181 Ca 0.13 2.50 0.00 0.00 0.02 0.00 0.00 55.97 58.62 2qdk s LYS 181 Cb 0.14 -3.86 0.00 0.00 -0.52 0.00 0.00 37.83 33.59 2qdk s LYS 181 CO 0.49 -0.87 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 2qdk n GLY 182 N 4.29 0.39 0.20 -3.33 0.00 -1.26 -4.92 105.19 100.57 2qdk n GLY 182 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 0.42 -0.53 1.61 4.64 -1.61 -2.94 113.55 115.14 2qdk h SER 183 Ca 0.00 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 2qdk h SER 183 Cb 0.24 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 2qdk h SER 183 CO 0.00 0.84 0.30 -0.03 -0.87 0.00 0.00 176.83 177.07 2qdk h MET 184 N 0.31 0.74 -0.10 4.77 -1.53 -1.91 -0.68 114.93 116.53 2qdk h MET 184 Ca 0.02 -0.08 -0.09 0.00 -3.44 0.00 0.00 59.70 56.11 2qdk h MET 184 Cb 0.96 -0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 31.86 2qdk h MET 184 CO 0.08 0.57 -0.33 0.93 0.14 0.00 0.00 176.91 178.30 2qdk h GLU 185 N 0.72 0.19 -0.10 0.39 4.39 -1.97 -0.12 114.58 118.07 2qdk h GLU 185 Ca 0.19 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 2qdk h GLU 185 Cb 0.04 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2qdk h GLU 185 CO -0.03 0.51 0.03 0.93 -1.16 0.00 0.00 179.01 179.29 2qdk h GLU 186 N 0.17 0.16 -0.70 2.33 5.08 -1.17 -1.55 114.58 118.89 2qdk h GLU 186 Ca 0.02 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2qdk h GLU 186 Cb 0.68 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2qdk h GLU 186 CO 0.05 0.30 0.24 -1.49 -1.00 0.00 0.00 179.01 177.10 2qdk h TRP 187 N -0.01 1.10 -0.67 4.33 -0.00 -0.83 -2.52 115.95 117.35 2qdk h TRP 187 Ca 0.03 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.89 58.81 2qdk h TRP 187 Cb 0.20 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.16 29.01 2qdk h TRP 187 CO -0.01 0.86 0.36 0.37 -0.00 0.00 0.00 178.44 180.03 2qdk h GLN 188 N 1.03 0.93 0.00 0.49 4.15 -0.89 -0.77 115.11 120.06 2qdk h GLN 188 Ca 0.23 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 2qdk h GLN 188 Cb 0.26 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 2qdk h GLN 188 CO -0.01 0.70 -0.10 0.00 -1.93 0.00 0.00 178.83 177.49 2qdk h ALA 189 N 1.18 1.24 -0.18 3.38 0.00 -1.03 -2.07 119.26 121.77 2qdk h ALA 189 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qdk h ALA 189 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qdk h ALA 189 CO -0.04 0.12 0.00 -1.33 0.00 0.00 0.00 179.25 178.01 2qdk n MET 190 N -3.55 1.92 -0.77 0.00 2.81 -0.38 -4.93 117.12 112.23 2qdk n MET 190 Ca -0.02 -1.38 0.00 0.00 -1.81 0.00 0.00 57.70 54.49 2qdk n MET 190 Cb 0.23 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 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 1.23 0.60 3.76 3.03 0.00 -0.78 -5.02 105.19 108.01 2qdk n GLY 191 Ca 0.17 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 2.70 -0.01 1.61 1.01 -0.70 -4.61 120.40 118.41 2qdk s VAL 192 Ca 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 2qdk s VAL 192 Cb 0.00 -3.42 -0.27 0.00 0.00 0.00 0.00 36.38 32.69 2qdk s VAL 192 CO 0.00 0.14 0.81 0.24 0.00 0.00 0.00 175.10 176.29 2qdk h MET 193 N 4.01 0.24 -2.31 2.72 0.00 -1.31 -3.42 114.93 114.85 2qdk h MET 193 Ca -0.48 -0.40 0.15 0.00 0.00 0.00 0.00 59.70 58.97 2qdk h MET 193 Cb 1.22 0.15 -0.11 0.00 0.00 0.00 0.00 31.60 32.86 2qdk h MET 193 CO 0.70 1.08 0.49 0.54 0.00 0.00 0.00 176.91 179.72 2qdk s ASN 194 N -6.93 -0.25 -0.08 1.22 4.22 -1.26 -1.16 114.94 110.70 2qdk s ASN 194 Ca -0.10 -0.24 0.00 0.00 -2.14 0.00 0.00 52.86 50.39 2qdk s ASN 194 Cb 0.07 0.44 -0.03 0.00 1.28 0.00 0.00 41.25 43.01 2qdk s ASN 194 CO 0.84 -0.79 -0.06 -0.31 -2.04 0.00 0.00 177.10 174.75 2qdk s TYR 195 N -3.22 2.97 0.00 1.54 2.02 -0.45 -0.51 117.35 119.70 2qdk s TYR 195 Ca 0.09 0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 2qdk s TYR 195 Cb -0.01 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 2qdk s TYR 195 CO -0.02 0.32 0.00 -0.85 -1.57 0.00 0.00 175.55 173.43 2qdk n GLU 196 N 2.30 0.00 0.00 -0.62 -0.00 -0.64 -2.93 120.64 118.75 2qdk n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 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 -0.28 0.00 3.44 2.81 -1.26 -0.57 117.12 121.25 2qdk n MET 197 Ca 0.00 -0.37 0.00 0.00 -1.81 0.00 0.00 57.70 55.52 2qdk n MET 197 Cb 0.00 -0.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 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 -0.03 1.58 -0.05 0.03 4.71 -1.26 -3.32 120.64 122.30 2qdk n GLU 198 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 2qdk n GLU 198 Cb 0.14 -0.86 0.08 0.00 -1.01 0.00 0.00 31.44 29.79 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 0.72 -0.52 1.62 4.64 -1.94 -2.16 113.55 115.91 2qdk h SER 199 Ca 0.00 -0.30 0.03 0.00 -0.47 0.00 0.00 61.79 61.04 2qdk h SER 199 Cb 0.00 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 2qdk h SER 199 CO 0.00 1.00 0.31 0.00 -0.87 0.00 0.00 176.83 177.27 2qdk h ALA 200 N 1.04 0.67 -0.10 5.18 0.00 -1.87 0.13 119.26 124.31 2qdk h ALA 200 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qdk h ALA 200 Cb 0.86 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2qdk h ALA 200 CO 0.07 0.01 0.01 1.15 0.00 0.00 0.00 179.25 180.50 2qdk h THR 201 N 0.62 1.23 0.25 0.00 2.02 -1.89 -1.47 112.91 113.66 2qdk h THR 201 Ca 0.21 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2qdk h THR 201 Cb 0.03 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2qdk h THR 201 CO -0.10 0.21 -0.12 0.25 0.37 0.00 0.00 175.52 176.13 2qdk h LEU 202 N -0.08 -0.28 -0.54 2.58 5.85 -1.03 -0.18 115.31 121.63 2qdk h LEU 202 Ca 0.03 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2qdk h LEU 202 Cb 0.32 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2qdk h LEU 202 CO 0.00 -0.19 0.18 -0.07 -0.34 0.00 0.00 178.44 178.02 2qdk h LEU 203 N -0.34 0.78 -0.24 2.25 3.38 -0.79 -1.77 115.31 118.57 2qdk h LEU 203 Ca -0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2qdk h LEU 203 Cb 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2qdk h LEU 203 CO 0.06 0.76 0.03 0.74 0.09 0.00 0.00 178.44 180.12 2qdk h THR 204 N 0.74 1.23 -0.19 0.22 2.02 -1.08 0.01 112.91 115.88 2qdk h THR 204 Ca 0.18 -0.80 -0.10 0.00 0.77 0.00 0.00 66.41 66.46 2qdk h THR 204 Cb 0.26 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2qdk h THR 204 CO -0.01 0.25 -0.31 0.00 0.37 0.00 0.00 175.52 175.83 2qdk h MET 205 N 0.20 0.37 0.03 6.66 -0.00 -0.95 -1.67 114.93 119.57 2qdk h MET 205 Ca 0.07 -0.15 -0.00 0.00 -0.00 0.00 0.00 59.70 59.62 2qdk h MET 205 Cb 0.35 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.93 2qdk h MET 205 CO 0.01 0.64 -0.01 0.00 -0.00 0.00 0.00 176.91 177.55 2qdk h ALA 207 N 0.11 1.76 -0.12 0.00 0.00 -0.89 -1.28 119.26 118.83 2qdk h ALA 207 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qdk h ALA 207 Cb 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2qdk h ALA 207 CO 0.01 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 2qdk n SER 208 N -4.19 2.51 -0.17 0.00 3.41 -0.64 -4.36 113.62 110.18 2qdk n SER 208 Ca -0.03 -1.83 0.03 0.00 -0.26 0.00 0.00 58.87 56.78 2qdk n SER 208 Cb 0.09 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.92 0.94 -2.16 4.33 6.02 -0.57 -5.01 117.38 121.85 2qdk n GLN 209 Ca 0.17 -1.41 -0.11 0.00 -0.01 0.00 0.00 57.00 55.64 2qdk n GLN 209 Cb 0.50 -0.87 -0.01 0.00 1.02 0.00 0.00 30.24 30.88 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 -0.48 -0.01 3.58 1.08 0.00 -1.05 -5.03 105.19 103.27 2qdk n GLY 210 Ca 0.04 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.01 3.04 -0.16 0.99 1.43 -0.67 -5.06 118.68 115.23 2qdk s LEU 211 Ca 0.00 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.52 2qdk s LEU 211 Cb 0.00 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 2qdk s LEU 211 CO 0.00 0.13 0.16 -0.13 0.23 0.00 0.00 176.35 176.74 2qdk s ARG 212 N -2.60 3.91 0.02 1.70 0.52 -0.20 -4.00 118.95 118.31 2qdk s ARG 212 Ca 0.24 -0.14 0.01 0.00 -0.52 0.00 0.00 55.73 55.32 2qdk s ARG 212 Cb -0.10 -3.33 -0.02 0.00 0.52 0.00 0.00 34.95 32.02 2qdk s ARG 212 CO 0.15 0.48 -0.04 0.00 0.02 0.00 0.00 175.30 175.91 2qdk s ALA 213 N -0.19 0.26 0.16 2.13 0.00 -1.26 -0.29 121.76 122.57 2qdk s ALA 213 Ca 0.12 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 2qdk s ALA 213 Cb -0.12 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2qdk s ALA 213 CO 0.01 -0.10 0.14 0.20 0.00 0.00 0.00 175.76 176.01 2qdk s GLY 214 N -1.37 0.93 -0.10 0.00 0.00 -0.50 -0.89 107.32 105.40 2qdk s GLY 214 Ca -0.13 -1.36 -0.04 0.00 0.00 0.00 0.00 44.72 43.19 2qdk s GLY 214 CO -0.01 -1.22 0.22 -0.29 0.00 0.00 0.00 173.10 171.80 2qdk s MET 215 N -4.05 0.15 0.01 2.90 -2.45 -1.26 -1.23 119.30 113.37 2qdk s MET 215 Ca 0.25 0.55 0.02 0.00 -1.25 0.00 0.00 55.69 55.27 2qdk s MET 215 Cb 0.06 -0.13 -0.01 0.00 1.25 0.00 0.00 34.83 36.00 2qdk s MET 215 CO 0.03 -0.21 -0.07 0.54 1.05 0.00 0.00 175.02 176.36 2qdk s VAL 216 N 1.63 0.56 0.00 10.11 0.11 -0.51 -1.94 120.40 130.36 2qdk s VAL 216 Ca -0.05 -0.55 -0.04 0.00 -2.93 0.00 0.00 61.98 58.40 2qdk s VAL 216 Cb -0.11 -0.52 -0.00 0.00 -1.53 0.00 0.00 36.38 34.21 2qdk s VAL 216 CO -0.08 -0.01 0.07 0.00 -3.33 0.00 0.00 175.10 171.75 2qdk s ALA 217 N -0.54 -0.16 -0.10 1.54 0.00 -0.36 -1.22 121.76 120.91 2qdk s ALA 217 Ca -0.01 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.59 2qdk s ALA 217 Cb -0.05 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 2qdk s ALA 217 CO 0.00 -0.16 0.35 0.20 0.00 0.00 0.00 175.76 176.15 2qdk s GLY 218 N -1.16 2.32 -0.25 0.00 0.00 -0.46 -0.95 107.32 106.81 2qdk s GLY 218 Ca -0.13 -0.35 -0.29 0.00 0.00 0.00 0.00 44.72 43.95 2qdk s GLY 218 CO 0.00 0.35 1.27 0.14 0.00 0.00 0.00 173.10 174.87 2qdk s VAL 219 N -0.06 4.22 -0.82 1.40 1.01 -0.32 -1.16 120.40 124.67 2qdk s VAL 219 Ca 0.20 1.42 0.16 0.00 0.00 0.00 0.00 61.98 63.76 2qdk s VAL 219 Cb -0.14 -4.12 -0.17 0.00 0.00 0.00 0.00 36.38 31.95 2qdk s VAL 219 CO 0.08 -0.35 0.71 2.30 0.00 0.00 0.00 175.10 177.83 2qdk n ILE 220 N 5.90 0.00 -3.58 2.22 -5.35 0.75 -0.76 119.36 118.54 2qdk n ILE 220 Ca 0.14 -0.13 -0.15 0.00 -0.27 0.00 0.00 62.75 62.35 2qdk n ILE 220 Cb 0.46 1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 39.31 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 -2.51 0.02 -0.28 7.28 0.11 -1.22 -4.68 120.40 119.12 2qdk s VAL 221 Ca 0.07 -0.20 -0.06 0.00 -2.93 0.00 0.00 61.98 58.86 2qdk s VAL 221 Cb 0.12 -0.93 0.01 0.00 -1.53 0.00 0.00 36.38 34.05 2qdk s VAL 221 CO 0.66 -0.11 0.05 0.21 -3.33 0.00 0.00 175.10 172.58 2qdk s ASN 222 N -1.64 4.95 0.22 3.54 3.84 -1.26 -0.69 114.94 123.89 2qdk s ASN 222 Ca -0.08 -0.66 0.23 0.00 0.21 0.00 0.00 52.86 52.56 2qdk s ASN 222 Cb -0.01 -1.84 0.93 0.00 -0.55 0.00 0.00 41.25 39.77 2qdk s ASN 222 CO 0.03 -0.15 1.68 0.54 -2.79 0.00 0.00 177.10 176.41 2qdk n ARG 223 N 4.84 0.17 0.06 0.43 5.12 0.14 -1.38 116.66 126.05 2qdk n ARG 223 Ca -0.15 0.38 0.13 0.00 -1.93 0.00 0.00 57.85 56.28 2qdk n ARG 223 Cb 0.48 -1.81 0.48 0.00 -1.16 0.00 0.00 32.46 30.45 2qdk n ARG 223 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2qdk n THR 224 N -2.13 0.43 -0.03 0.55 -2.24 -1.26 -3.96 114.28 105.63 2qdk n THR 224 Ca 0.03 -0.12 -0.04 0.00 -2.27 0.00 0.00 64.05 61.65 2qdk n THR 224 Cb 0.23 -0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 67.80 2qdk n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qdk n GLN 225 N -1.96 2.35 -3.65 -0.78 1.13 -0.52 -5.09 117.38 108.86 2qdk n GLN 225 Ca 0.06 0.01 -0.15 0.00 -1.94 0.00 0.00 57.00 54.98 2qdk n GLN 225 Cb 0.37 -1.16 -0.08 0.00 0.11 0.00 0.00 30.24 29.48 2qdk n GLN 225 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2qdk s GLN 226 N -2.15 0.78 -0.23 -1.09 0.74 -0.48 -5.08 119.66 112.15 2qdk s GLN 226 Ca -0.05 0.31 -0.14 0.00 0.05 0.00 0.00 55.36 55.53 2qdk s GLN 226 Cb 0.02 0.37 -0.17 0.00 1.10 0.00 0.00 33.01 34.33 2qdk s GLN 226 CO 0.24 -0.19 -0.04 -1.91 -0.55 0.00 0.00 175.29 172.84 2qdk n GLU 227 N 1.72 0.61 -3.91 1.67 2.13 -1.26 -3.79 120.64 117.81 2qdk n GLU 227 Ca -0.18 0.37 -0.35 0.00 0.66 0.00 0.00 57.16 57.67 2qdk n GLU 227 Cb 0.56 -1.62 -0.10 0.00 0.27 0.00 0.00 31.44 30.56 2qdk n GLU 227 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2qdk s ILE 228 N -2.46 4.93 0.79 6.31 2.07 -1.26 -4.99 121.20 126.59 2qdk s ILE 228 Ca -0.33 0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 58.78 2qdk s ILE 228 Cb 0.10 -3.24 0.00 0.00 0.13 0.00 0.00 42.46 39.45 2qdk s ILE 228 CO 0.57 0.44 0.67 -2.65 -1.91 0.00 0.00 174.94 172.06 2qdk n PRO 229 N 3.67 0.18 -1.41 3.50 -0.02 -1.26 -5.08 135.00 134.58 2qdk n PRO 229 Ca -0.16 0.11 -0.37 0.00 -2.02 0.00 0.00 63.50 61.06 2qdk n PRO 229 Cb 0.52 -1.99 0.05 0.00 -0.02 0.00 0.00 33.50 32.07 2qdk n PRO 229 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2qdk n ASN 230 N -1.18 -0.82 0.00 2.55 6.94 -1.26 -5.13 115.26 116.36 2qdk n ASN 230 Ca 0.10 0.69 0.00 0.00 -0.02 0.00 0.00 54.58 55.35 2qdk n ASN 230 Cb 0.51 -1.22 0.00 0.00 -2.36 0.00 0.00 39.78 36.70 2qdk n ASN 230 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2qdk n GLU 238 N -0.49 0.00 -0.14 -3.83 4.71 -1.26 -4.15 120.64 115.48 2qdk n GLU 238 Ca 0.11 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.15 2qdk n GLU 238 Cb 0.48 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.93 2qdk n GLU 238 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 2qdk h SER 239 N 0.00 0.98 -0.44 1.62 0.02 -2.00 -3.03 113.55 110.71 2qdk h SER 239 Ca 0.00 -0.39 0.09 0.00 -0.84 0.00 0.00 61.79 60.65 2qdk h SER 239 Cb 0.00 -0.27 -0.09 0.00 0.14 0.00 0.00 62.40 62.18 2qdk h SER 239 CO 0.00 1.18 -0.18 0.45 -1.14 0.00 0.00 176.83 177.13 2qdk h HIS 240 N 0.81 -0.45 -0.88 3.45 3.86 -1.95 0.53 115.15 120.52 2qdk h HIS 240 Ca 0.10 0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2qdk h HIS 240 Cb 0.83 0.27 -0.04 0.00 1.06 0.00 0.00 27.41 29.52 2qdk h HIS 240 CO 0.05 -0.27 0.59 0.00 0.86 0.00 0.00 177.93 179.16 2qdk h ALA 241 N 1.24 1.38 -0.11 2.45 0.00 -1.90 -0.21 119.26 122.10 2qdk h ALA 241 Ca 0.21 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 2qdk h ALA 241 Cb 0.42 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2qdk h ALA 241 CO -0.50 0.57 -0.72 0.28 0.00 0.00 0.00 179.25 178.88 2qdk h VAL 242 N 1.19 1.34 -0.29 0.00 2.07 -1.26 -1.76 116.25 117.54 2qdk h VAL 242 Ca 0.33 -2.05 -0.07 0.00 0.82 0.00 0.00 66.70 65.72 2qdk h VAL 242 Cb -0.12 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2qdk h VAL 242 CO -0.07 0.63 -0.14 0.11 0.02 0.00 0.00 177.57 178.12 2qdk h LYS 243 N 0.37 0.50 -0.47 1.57 1.57 -0.34 -2.49 116.57 117.27 2qdk h LYS 243 Ca -0.03 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 2qdk h LYS 243 Cb 1.31 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 2qdk h LYS 243 CO 0.13 0.63 -0.06 0.82 -0.57 0.00 0.00 179.45 180.40 2qdk h ILE 244 N 0.46 1.27 -0.08 1.86 2.04 -0.80 -1.19 117.51 121.08 2qdk h ILE 244 Ca 0.08 -1.17 -0.13 0.00 1.00 0.00 0.00 64.86 64.65 2qdk h ILE 244 Cb 0.52 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2qdk h ILE 244 CO 0.03 0.40 -0.54 1.62 0.00 0.00 0.00 178.15 179.66 2qdk h VAL 245 N 0.73 1.37 -0.16 1.67 3.04 -1.11 0.86 116.25 122.65 2qdk h VAL 245 Ca 0.13 -1.84 -0.04 0.00 -1.01 0.00 0.00 66.70 63.94 2qdk h VAL 245 Cb 0.60 1.91 -0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2qdk h VAL 245 CO 0.04 0.54 -0.07 0.58 -1.01 0.00 0.00 177.57 177.65 2qdk h VAL 246 N 0.17 1.31 -0.57 1.51 2.07 -1.39 -1.18 116.25 118.17 2qdk h VAL 246 Ca 0.00 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 2qdk h VAL 246 Cb 1.01 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 2qdk h VAL 246 CO 0.08 0.32 0.24 -0.08 0.02 0.00 0.00 177.57 178.16 2qdk h GLU 247 N 0.00 0.81 -0.36 1.57 4.57 -1.03 -2.18 114.58 117.96 2qdk h GLU 247 Ca 0.04 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 2qdk h GLU 247 Cb 0.53 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2qdk h GLU 247 CO 0.02 0.65 0.05 0.00 -1.18 0.00 0.00 179.01 178.55 2qdk h ALA 248 N 1.46 0.48 -0.78 2.92 0.00 -0.73 -2.65 119.26 119.96 2qdk h ALA 248 Ca 0.19 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.05 2qdk h ALA 248 Cb 0.13 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 17.68 2qdk h ALA 248 CO -0.02 0.19 0.30 0.00 0.00 0.00 0.00 179.25 179.72 2qdk h ALA 249 N 0.90 1.12 -0.89 0.00 0.00 -0.80 -0.21 119.26 119.38 2qdk h ALA 249 Ca 0.11 0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.34 2qdk h ALA 249 Cb 0.37 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.18 2qdk h ALA 249 CO 0.01 -0.25 0.43 0.00 0.00 0.00 0.00 179.25 179.44 2qdk h ARG 250 N 0.41 0.50 0.00 0.00 3.08 -1.04 -1.01 114.38 116.33 2qdk h ARG 250 Ca 0.44 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.46 2qdk h ARG 250 Cb 0.73 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2qdk h ARG 250 CO -0.45 0.33 -0.03 0.54 -1.07 0.00 0.00 179.97 179.30 2qdk n ARG 251 N -4.95 0.12 0.00 0.04 1.74 -0.13 -3.45 116.66 110.02 2qdk n ARG 251 Ca 0.20 0.09 0.10 0.00 -0.77 0.00 0.00 57.85 57.47 2qdk n ARG 251 Cb 0.56 -1.64 0.01 0.00 -1.02 0.00 0.00 32.46 30.38 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 -1.84 1.98 0.00 0.55 4.77 -0.41 -5.05 117.00 116.99 2qdk n LEU 252 Ca 0.06 -0.80 0.13 0.00 -0.03 0.00 0.00 56.01 55.37 2qdk n LEU 252 Cb 0.38 0.00 0.79 0.00 -2.33 0.00 0.00 43.42 42.26 2qdk n LEU 252 CO 0.29 0.36 0.96 0.18 -1.33 0.00 0.00 177.39 177.86