#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qaj s ASN 2 N 0.00 5.77 0.16 3.17 0.01 -1.26 -1.43 114.94 121.35 2qaj s ASN 2 Ca 0.00 -0.70 0.06 0.00 -0.71 0.00 0.00 52.86 51.51 2qaj s ASN 2 Cb 0.00 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.56 2qaj s ASN 2 CO 0.00 -0.29 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.42 2qaj s LEU 3 N 1.62 2.51 -0.01 0.60 1.43 -0.17 0.21 118.68 124.88 2qaj s LEU 3 Ca 0.04 -0.96 0.03 0.00 -1.03 0.00 0.00 54.13 52.21 2qaj s LEU 3 Cb -0.18 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.55 2qaj s LEU 3 CO 0.08 -0.24 -0.11 -0.69 0.23 0.00 0.00 176.35 175.61 2qaj s VAL 4 N -2.94 0.86 -0.09 -1.59 1.01 -1.11 -1.18 120.40 115.36 2qaj s VAL 4 Ca 0.16 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2qaj s VAL 4 Cb -0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 2qaj s VAL 4 CO 0.03 0.24 -0.14 -0.76 0.00 0.00 0.00 175.10 174.47 2qaj s LEU 5 N -0.22 2.70 0.06 3.92 1.02 0.29 -0.32 118.68 126.13 2qaj s LEU 5 Ca 0.04 -0.28 0.01 0.00 0.02 0.00 0.00 54.13 53.91 2qaj s LEU 5 Cb -0.05 -1.58 -0.04 0.00 0.02 0.00 0.00 46.19 44.55 2qaj s LEU 5 CO -0.00 0.25 -0.05 0.00 0.02 0.00 0.00 176.35 176.56 2qaj s MET 6 N -0.15 0.65 0.00 1.70 0.23 -0.15 -2.86 119.30 118.73 2qaj s MET 6 Ca -0.01 -1.14 0.00 0.00 -1.03 0.00 0.00 55.69 53.51 2qaj s MET 6 Cb -0.14 -0.02 0.00 0.00 -1.53 0.00 0.00 34.83 33.14 2qaj s MET 6 CO 0.03 -0.05 0.00 0.41 -2.03 0.00 0.00 175.02 173.39 2qaj n GLY 7 N 0.39 2.12 3.76 3.16 0.00 -1.26 -0.98 105.19 112.38 2qaj n GLY 7 Ca -0.16 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 2qaj n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qaj s LEU 8 N 0.00 3.28 0.04 0.99 1.43 -1.26 -4.85 118.68 118.30 2qaj s LEU 8 Ca 0.00 2.01 -0.38 0.00 -1.03 0.00 0.00 54.13 54.74 2qaj s LEU 8 Cb 0.00 -4.55 -0.17 0.00 0.03 0.00 0.00 46.19 41.50 2qaj s LEU 8 CO 0.00 -1.86 1.33 -2.65 0.23 0.00 0.00 176.35 173.39 2qaj n PRO 9 N -2.78 0.93 -0.98 1.29 -0.02 -1.26 -0.74 135.00 131.43 2qaj n PRO 9 Ca 0.11 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2qaj n PRO 9 Cb 0.52 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2qaj n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qaj n GLY 10 N 2.49 0.88 0.27 -1.23 0.00 -1.26 -4.87 105.19 101.47 2qaj n GLY 10 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 2qaj n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qaj h ALA 11 N 0.00 1.65 0.00 4.61 0.00 -1.26 -3.46 119.26 120.79 2qaj h ALA 11 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qaj h ALA 11 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qaj h ALA 11 CO 0.00 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2qaj n GLY 12 N -1.26 1.92 0.14 0.00 0.00 -1.26 -4.91 105.19 99.82 2qaj n GLY 12 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2qaj n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qaj h LYS 13 N 0.00 -0.15 -0.80 1.61 1.57 -1.92 -0.79 116.57 116.10 2qaj h LYS 13 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2qaj h LYS 13 Cb 0.00 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2qaj h LYS 13 CO 0.00 -0.10 0.50 0.78 -0.57 0.00 0.00 179.45 180.06 2qaj h GLY 14 N -0.16 1.15 0.97 3.86 0.00 -1.97 0.50 103.07 107.42 2qaj h GLY 14 Ca 0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 2qaj h GLY 14 CO -0.10 0.44 0.22 -0.84 0.00 0.00 0.00 176.54 176.26 2qaj h THR 15 N 1.09 1.21 0.04 4.70 2.02 -1.90 -0.77 112.91 119.30 2qaj h THR 15 Ca 0.29 -0.62 -0.28 0.00 0.77 0.00 0.00 66.41 66.57 2qaj h THR 15 Cb -0.08 0.68 0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2qaj h THR 15 CO -0.06 0.24 -1.12 1.56 0.37 0.00 0.00 175.52 176.51 2qaj h GLN 16 N 0.67 0.67 -0.77 6.66 1.08 -0.87 -3.28 115.11 119.27 2qaj h GLN 16 Ca 0.17 -0.78 -0.00 0.00 -1.45 0.00 0.00 58.65 56.59 2qaj h GLN 16 Cb 0.17 0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.79 2qaj h GLN 16 CO -0.02 1.34 0.46 0.78 -0.95 0.00 0.00 178.83 180.45 2qaj h GLY 17 N 0.40 1.12 0.53 3.46 0.00 0.09 -1.65 103.07 107.02 2qaj h GLY 17 Ca -0.15 -0.46 0.07 0.00 0.00 0.00 0.00 47.33 46.78 2qaj h GLY 17 CO 0.22 0.45 0.16 -2.09 0.00 0.00 0.00 176.54 175.27 2qaj h GLU 18 N 1.07 0.31 -0.26 4.80 4.81 -1.19 -0.92 114.58 123.19 2qaj h GLU 18 Ca 0.28 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.37 2qaj h GLU 18 Cb -0.04 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2qaj h GLU 18 CO -0.05 0.21 -0.35 0.00 -0.73 0.00 0.00 179.01 178.08 2qaj h ARG 19 N 0.32 0.58 0.18 1.92 3.08 -1.50 -2.64 114.38 116.33 2qaj h ARG 19 Ca 0.23 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2qaj h ARG 19 Cb 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2qaj h ARG 19 CO -0.24 0.85 -0.09 0.82 -1.07 0.00 0.00 179.97 180.24 2qaj h ILE 20 N 0.49 0.89 0.00 2.04 2.04 -0.66 -1.26 117.51 121.06 2qaj h ILE 20 Ca 0.05 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2qaj h ILE 20 Cb 0.84 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2qaj h ILE 20 CO 0.07 0.08 0.00 -0.37 0.00 0.00 0.00 178.15 177.94 2qaj h VAL 21 N -0.42 0.00 0.20 1.67 -1.51 -1.22 0.21 116.25 115.18 2qaj h VAL 21 Ca -0.03 -0.34 -0.31 0.00 -1.23 0.00 0.00 66.70 64.79 2qaj h VAL 21 Cb 0.33 1.32 0.02 0.00 -2.13 0.00 0.00 31.29 30.84 2qaj h VAL 21 CO 0.04 0.00 -1.38 -0.08 -1.23 0.00 0.00 177.57 174.92 2qaj h GLU 22 N 0.00 0.42 0.03 5.19 4.81 -1.25 -2.70 114.58 121.09 2qaj h GLU 22 Ca 0.00 -0.72 -0.27 0.00 -0.13 0.00 0.00 59.36 58.24 2qaj h GLU 22 Cb 0.35 0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 2qaj h GLU 22 CO 0.00 1.34 -1.47 -0.44 -0.73 0.00 0.00 179.01 177.71 2qaj h ASP 23 N 0.11 0.11 0.00 1.04 5.19 -0.55 -3.40 116.42 118.93 2qaj h ASP 23 Ca -0.20 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 2qaj h ASP 23 Cb 2.08 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 41.56 2qaj h ASP 23 CO 0.24 1.15 -0.52 -1.22 -3.12 0.00 0.00 179.24 175.77 2qaj n TYR 24 N -3.25 0.00 -1.14 4.55 4.02 0.68 -5.03 117.16 116.99 2qaj n TYR 24 Ca -0.13 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.72 2qaj n TYR 24 Cb 1.02 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 40.29 2qaj n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qaj n GLY 25 N 1.33 0.72 3.86 2.72 0.00 -1.02 -5.02 105.19 107.78 2qaj n GLY 25 Ca 0.01 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 2qaj n GLY 25 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qaj s ILE 26 N -2.05 4.95 0.14 -0.61 -4.36 -1.26 -5.02 121.20 112.99 2qaj s ILE 26 Ca 0.00 0.62 -0.33 0.00 -0.26 0.00 0.00 60.65 60.68 2qaj s ILE 26 Cb 0.00 -3.68 -0.13 0.00 1.25 0.00 0.00 42.46 39.90 2qaj s ILE 26 CO 0.00 0.19 1.70 -2.65 0.24 0.00 0.00 174.94 174.42 2qaj n PRO 27 N 0.63 2.46 -2.99 0.37 -0.02 -1.26 -4.57 135.00 129.62 2qaj n PRO 27 Ca -0.05 0.89 -0.43 0.00 -2.02 0.00 0.00 63.50 61.90 2qaj n PRO 27 Cb 0.52 -2.71 -0.06 0.00 -0.02 0.00 0.00 33.50 31.23 2qaj n PRO 27 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2qaj s HIS 28 N 1.66 3.05 -0.45 6.00 2.46 -1.26 -0.79 115.29 125.97 2qaj s HIS 28 Ca 0.80 0.28 -0.01 0.00 0.47 0.00 0.00 55.06 56.60 2qaj s HIS 28 Cb -0.59 -3.50 0.12 0.00 -0.13 0.00 0.00 32.58 28.48 2qaj s HIS 28 CO 0.37 -0.86 0.23 0.42 -2.47 0.00 0.00 174.74 172.43 2qaj s ILE 29 N 3.13 3.10 -0.29 0.89 1.01 0.30 -4.99 121.20 124.33 2qaj s ILE 29 Ca 0.29 -2.45 -0.09 0.00 0.00 0.00 0.00 60.65 58.40 2qaj s ILE 29 Cb -0.13 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 2qaj s ILE 29 CO 0.20 -0.72 0.14 -0.55 0.00 0.00 0.00 174.94 174.00 2qaj s SER 30 N 1.16 5.54 0.37 3.58 0.15 -1.26 -0.06 113.70 123.19 2qaj s SER 30 Ca 0.12 -0.36 0.07 0.00 0.70 0.00 0.00 55.95 56.47 2qaj s SER 30 Cb -0.22 -2.01 0.73 0.00 -1.71 0.00 0.00 66.02 62.81 2qaj s SER 30 CO -0.04 -0.13 1.93 0.71 1.20 0.00 0.00 173.24 176.90 2qaj h THR 31 N 5.58 1.17 -0.61 6.45 1.35 -1.82 -0.97 112.91 124.06 2qaj h THR 31 Ca -0.34 -0.66 -0.08 0.00 -0.55 0.00 0.00 66.41 64.78 2qaj h THR 31 Cb 1.16 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 68.52 2qaj h THR 31 CO 0.60 0.22 0.07 1.23 -0.25 0.00 0.00 175.52 177.39 2qaj h GLY 32 N 0.72 1.08 0.95 5.82 0.00 -1.91 0.53 103.07 110.27 2qaj h GLY 32 Ca 0.09 -0.72 -0.06 0.00 0.00 0.00 0.00 47.33 46.64 2qaj h GLY 32 CO 0.01 0.66 0.02 -0.55 0.00 0.00 0.00 176.54 176.68 2qaj h ASP 33 N 0.94 0.70 -0.78 0.19 5.19 -1.71 -1.92 116.42 119.02 2qaj h ASP 33 Ca 0.18 -0.30 -0.03 0.00 -0.62 0.00 0.00 57.03 56.27 2qaj h ASP 33 Cb 0.44 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.73 2qaj h ASP 33 CO 0.01 0.82 0.38 0.24 -3.12 0.00 0.00 179.24 177.58 2qaj h MET 34 N 0.55 1.12 -0.29 3.56 2.86 -0.83 -0.65 114.93 121.24 2qaj h MET 34 Ca 0.12 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 2qaj h MET 34 Cb 0.46 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2qaj h MET 34 CO 0.02 0.86 0.07 0.74 1.06 0.00 0.00 176.91 179.66 2qaj h PHE 35 N 1.10 0.50 -0.13 -0.22 0.05 -0.78 -1.30 116.94 116.15 2qaj h PHE 35 Ca 0.27 -0.06 -0.09 0.00 3.82 0.00 0.00 57.97 61.90 2qaj h PHE 35 Cb 0.11 -0.14 -0.01 0.00 2.00 0.00 0.00 35.95 37.91 2qaj h PHE 35 CO 0.01 0.55 -0.34 0.00 -0.18 0.00 0.00 178.31 178.34 2qaj h ARG 36 N 0.31 0.25 -0.17 1.51 3.08 -1.15 -0.46 114.38 117.76 2qaj h ARG 36 Ca 0.09 -0.10 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 2qaj h ARG 36 Cb 0.30 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2qaj h ARG 36 CO 0.00 0.57 -0.52 0.00 -1.07 0.00 0.00 179.97 178.95 2qaj h ALA 37 N 1.43 0.79 -0.32 0.04 0.00 -1.01 -0.57 119.26 119.62 2qaj h ALA 37 Ca 0.03 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 2qaj h ALA 37 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2qaj h ALA 37 CO 0.05 0.68 -0.12 0.00 0.00 0.00 0.00 179.25 179.87 2qaj h ALA 38 N 1.07 0.44 -0.31 0.00 0.00 -0.76 -1.03 119.26 118.67 2qaj h ALA 38 Ca 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2qaj h ALA 38 Cb 1.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2qaj h ALA 38 CO 0.09 0.31 0.16 0.52 0.00 0.00 0.00 179.25 180.34 2qaj h MET 39 N 0.41 0.44 -0.56 0.00 2.07 -0.95 0.80 114.93 117.14 2qaj h MET 39 Ca 0.08 -0.06 0.03 0.00 -2.07 0.00 0.00 59.70 57.68 2qaj h MET 39 Cb 0.63 -0.08 -0.04 0.00 -1.87 0.00 0.00 31.60 30.23 2qaj h MET 39 CO 0.04 0.40 0.33 -0.22 1.07 0.00 0.00 176.91 178.52 2qaj h LYS 40 N 0.38 0.62 0.00 1.72 3.64 -1.02 -0.32 116.57 121.58 2qaj h LYS 40 Ca 0.11 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2qaj h LYS 40 Cb 0.09 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2qaj h LYS 40 CO -0.02 0.41 0.00 0.39 -2.27 0.00 0.00 179.45 177.97 2qaj n GLU 41 N -4.79 0.54 -3.75 1.90 1.02 -0.40 -4.93 120.64 110.24 2qaj n GLU 41 Ca 0.05 0.01 -0.27 0.00 -0.02 0.00 0.00 57.16 56.93 2qaj n GLU 41 Cb 0.09 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.07 2qaj n GLU 41 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2qaj n GLU 42 N -1.22 -6.57 -2.29 3.49 1.02 0.20 -5.00 120.64 110.28 2qaj n GLU 42 Ca 0.16 0.71 -0.27 0.00 -0.02 0.00 0.00 57.16 57.73 2qaj n GLU 42 Cb 0.20 -5.65 0.04 0.00 -0.02 0.00 0.00 31.44 26.01 2qaj n GLU 42 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2qaj s THR 43 N -3.33 3.33 0.30 2.62 -4.23 -0.78 -4.86 115.64 108.69 2qaj s THR 43 Ca 0.57 0.01 0.04 0.00 -1.18 0.00 0.00 61.69 61.12 2qaj s THR 43 Cb -0.27 -3.36 0.29 0.00 1.34 0.00 0.00 72.50 70.51 2qaj s THR 43 CO 0.78 -0.39 1.82 -0.65 -0.54 0.00 0.00 174.62 175.64 2qaj h PRO 44 N -0.33 0.86 -0.11 3.99 0.11 -1.94 -0.97 132.00 133.61 2qaj h PRO 44 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qaj h PRO 44 Cb 1.27 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2qaj h PRO 44 CO 0.61 0.57 0.06 1.25 -0.21 0.00 0.00 178.00 180.27 2qaj h LEU 45 N 0.88 0.14 -1.01 2.35 5.85 -1.93 -1.95 115.31 119.64 2qaj h LEU 45 Ca 0.53 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 59.19 2qaj h LEU 45 Cb 0.67 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 2qaj h LEU 45 CO -0.30 0.19 0.66 1.23 -0.34 0.00 0.00 178.44 179.88 2qaj h GLY 46 N 0.07 1.49 1.67 3.75 0.00 -1.42 -1.51 103.07 107.12 2qaj h GLY 46 Ca 0.04 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 2qaj h GLY 46 CO -0.01 0.41 -0.48 1.41 0.00 0.00 0.00 176.54 177.87 2qaj h LEU 47 N 1.25 0.39 -0.41 3.11 3.38 -1.00 -0.93 115.31 121.10 2qaj h LEU 47 Ca 0.41 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 58.01 2qaj h LEU 47 Cb 0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2qaj h LEU 47 CO -0.14 0.81 -0.65 -0.33 0.09 0.00 0.00 178.44 178.23 2qaj h GLU 48 N 0.29 0.56 0.00 1.13 4.39 -0.90 -3.22 114.58 116.82 2qaj h GLU 48 Ca 0.02 -0.40 -0.14 0.00 0.34 0.00 0.00 59.36 59.17 2qaj h GLU 48 Cb 0.95 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 2qaj h GLU 48 CO 0.08 1.02 -0.66 0.00 -1.16 0.00 0.00 179.01 178.29 2qaj h ALA 49 N 0.88 0.67 -0.42 3.43 0.00 -1.17 -3.37 119.26 119.28 2qaj h ALA 49 Ca -0.01 -0.60 0.07 0.00 0.00 0.00 0.00 54.91 54.36 2qaj h ALA 49 Cb 1.22 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 2qaj h ALA 49 CO 0.12 0.83 -0.46 -0.22 0.00 0.00 0.00 179.25 179.52 2qaj h LYS 50 N 0.00 -0.32 -1.13 0.00 3.64 -1.18 -1.28 116.57 116.30 2qaj h LYS 50 Ca -0.01 0.02 0.32 0.00 -1.27 0.00 0.00 60.65 59.71 2qaj h LYS 50 Cb 1.38 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 33.21 2qaj h LYS 50 CO 0.09 -0.22 0.79 0.66 -2.27 0.00 0.00 179.45 178.50 2qaj h SER 51 N -0.34 0.12 0.00 4.20 4.64 -1.75 -0.03 113.55 120.40 2qaj h SER 51 Ca 0.13 0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.32 2qaj h SER 51 Cb 0.59 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 2qaj h SER 51 CO -0.59 0.02 -0.89 1.88 -0.87 0.00 0.00 176.83 176.38 2qaj h TYR 52 N 0.10 0.00 -0.88 4.77 -1.99 -1.58 -3.36 116.97 114.03 2qaj h TYR 52 Ca 0.57 0.00 0.07 0.00 2.00 0.00 0.00 58.73 61.37 2qaj h TYR 52 Cb 2.03 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 40.70 2qaj h TYR 52 CO -0.00 1.17 0.54 0.82 -0.00 0.00 0.00 178.16 180.69 2qaj h ILE 53 N -1.00 1.02 -0.04 -2.88 2.04 -0.78 -1.20 117.51 114.68 2qaj h ILE 53 Ca -0.23 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.31 2qaj h ILE 53 Cb 1.10 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2qaj h ILE 53 CO -0.14 0.18 0.03 0.44 0.00 0.00 0.00 178.15 178.66 2qaj h ASP 54 N 0.97 0.00 0.19 1.72 3.45 -1.21 -2.01 116.42 119.53 2qaj h ASP 54 Ca 0.39 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.85 2qaj h ASP 54 Cb 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 2qaj h ASP 54 CO -0.19 0.00 -0.90 0.29 -1.57 0.00 0.00 179.24 176.87 2qaj n LYS 55 N -4.36 0.06 -0.42 3.56 5.02 -0.72 -4.91 118.16 116.38 2qaj n LYS 55 Ca -0.02 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2qaj n LYS 55 Cb 0.13 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 2qaj n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qaj n GLY 56 N 1.48 0.74 3.88 0.72 0.00 -0.70 -4.74 105.19 106.57 2qaj n GLY 56 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2qaj n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qaj s GLU 57 N -0.58 3.01 0.24 1.61 0.41 -0.54 -3.97 118.70 118.89 2qaj s GLU 57 Ca 0.00 0.52 -0.29 0.00 -0.41 0.00 0.00 54.97 54.79 2qaj s GLU 57 Cb 0.00 -2.03 -0.09 0.00 -1.78 0.00 0.00 34.13 30.23 2qaj s GLU 57 CO 0.00 -0.94 0.92 -0.51 -0.49 0.00 0.00 175.26 174.25 2qaj s LEU 58 N -5.32 4.61 0.38 1.80 1.43 -1.26 -4.10 118.68 116.21 2qaj s LEU 58 Ca 0.57 1.91 -0.26 0.00 -1.03 0.00 0.00 54.13 55.33 2qaj s LEU 58 Cb -0.11 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 2qaj s LEU 58 CO 0.52 0.14 1.12 -0.69 0.23 0.00 0.00 176.35 177.67 2qaj s VAL 59 N -1.23 3.38 0.55 -1.59 1.01 -1.26 -4.92 120.40 116.34 2qaj s VAL 59 Ca 0.42 1.17 -0.19 0.00 0.00 0.00 0.00 61.98 63.37 2qaj s VAL 59 Cb -0.25 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 2qaj s VAL 59 CO 0.30 0.11 0.64 -2.65 0.00 0.00 0.00 175.10 173.51 2qaj n PRO 60 N 0.23 0.64 0.31 2.72 -0.02 -1.26 -4.86 135.00 132.76 2qaj n PRO 60 Ca 0.04 0.25 -0.17 0.00 -2.02 0.00 0.00 63.50 61.59 2qaj n PRO 60 Cb 0.47 -1.80 -0.08 0.00 -0.02 0.00 0.00 33.50 32.07 2qaj n PRO 60 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2qaj h ASP 61 N 0.41 -0.83 -0.92 2.55 3.32 -1.99 -3.03 116.42 115.92 2qaj h ASP 61 Ca -0.46 0.05 0.11 0.00 0.02 0.00 0.00 57.03 56.75 2qaj h ASP 61 Cb 1.39 0.25 -0.13 0.00 0.22 0.00 0.00 39.33 41.06 2qaj h ASP 61 CO 0.49 -0.52 -0.48 1.21 -1.72 0.00 0.00 179.24 178.22 2qaj n GLU 62 N -5.47 -0.33 -0.15 3.56 2.13 -1.26 0.18 120.64 119.30 2qaj n GLU 62 Ca -0.12 1.41 -0.10 0.00 0.66 0.00 0.00 57.16 59.00 2qaj n GLU 62 Cb 0.36 -2.07 0.02 0.00 0.27 0.00 0.00 31.44 30.02 2qaj n GLU 62 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 2qaj h VAL 63 N 0.00 1.27 -0.09 6.31 3.04 -1.96 -0.69 116.25 124.13 2qaj h VAL 63 Ca 0.21 -1.34 -0.01 0.00 -1.01 0.00 0.00 66.70 64.56 2qaj h VAL 63 Cb 0.44 1.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.81 2qaj h VAL 63 CO -0.89 0.46 0.03 0.74 -1.01 0.00 0.00 177.57 176.91 2qaj h THR 64 N 0.84 1.15 -0.86 3.17 2.02 -0.96 -0.44 112.91 117.83 2qaj h THR 64 Ca 0.12 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.86 2qaj h THR 64 Cb 0.75 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 68.40 2qaj h THR 64 CO 0.06 0.13 0.56 0.40 0.37 0.00 0.00 175.52 177.05 2qaj h ILE 65 N -0.02 1.17 -0.60 3.11 2.04 -0.25 -2.34 117.51 120.63 2qaj h ILE 65 Ca 0.03 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.56 2qaj h ILE 65 Cb 0.18 -0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.17 2qaj h ILE 65 CO -0.00 0.20 0.32 1.23 0.00 0.00 0.00 178.15 179.90 2qaj h GLY 66 N 1.12 0.86 1.50 5.37 0.00 -0.42 -0.64 103.07 110.85 2qaj h GLY 66 Ca 0.33 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 47.28 2qaj h GLY 66 CO -0.10 0.14 -0.56 0.16 0.00 0.00 0.00 176.54 176.18 2qaj h ILE 67 N 0.60 1.33 -0.27 2.60 3.07 -0.75 -2.83 117.51 121.25 2qaj h ILE 67 Ca 0.26 -1.81 -0.03 0.00 1.55 0.00 0.00 64.86 64.83 2qaj h ILE 67 Cb 0.16 1.80 -0.01 0.00 -0.27 0.00 0.00 36.82 38.50 2qaj h ILE 67 CO -0.17 0.56 0.06 0.58 -1.05 0.00 0.00 178.15 178.12 2qaj h VAL 68 N 0.40 1.22 -0.66 0.16 2.07 -1.09 -0.47 116.25 117.87 2qaj h VAL 68 Ca 0.01 -0.74 0.09 0.00 0.82 0.00 0.00 66.70 66.87 2qaj h VAL 68 Cb 1.09 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 2qaj h VAL 68 CO 0.10 0.24 0.31 0.50 0.02 0.00 0.00 177.57 178.74 2qaj h LYS 69 N 0.27 0.53 0.03 1.57 3.64 -1.12 0.47 116.57 121.96 2qaj h LYS 69 Ca 0.08 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2qaj h LYS 69 Cb 0.31 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2qaj h LYS 69 CO 0.00 0.35 -0.02 1.49 -2.27 0.00 0.00 179.45 179.01 2qaj h GLU 70 N 0.54 -0.04 -0.20 1.90 4.57 -1.31 -3.07 114.58 116.97 2qaj h GLU 70 Ca 0.32 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.54 2qaj h GLU 70 Cb 0.34 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 2qaj h GLU 70 CO -0.27 0.19 0.01 -0.09 -1.18 0.00 0.00 179.01 177.67 2qaj h ARG 71 N -0.27 0.07 0.00 1.92 9.65 -0.55 -1.96 114.38 123.24 2qaj h ARG 71 Ca -0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2qaj h ARG 71 Cb 0.25 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 2qaj h ARG 71 CO 0.01 0.05 0.00 1.28 2.80 0.00 0.00 179.97 184.10 2qaj n LEU 72 N -5.13 0.00 -0.17 3.80 4.77 0.11 -1.78 117.00 118.61 2qaj n LEU 72 Ca -0.03 0.29 0.13 0.00 -0.03 0.00 0.00 56.01 56.37 2qaj n LEU 72 Cb 0.10 -0.29 0.34 0.00 -2.33 0.00 0.00 43.42 41.24 2qaj n LEU 72 CO 0.27 -0.21 0.59 0.61 -1.33 0.00 0.00 177.39 177.32 2qaj n GLY 73 N -0.62 -0.81 3.77 -0.72 0.00 -0.74 -4.82 105.19 101.26 2qaj n GLY 73 Ca 0.04 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 2qaj n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qaj s LYS 74 N -2.65 2.06 0.40 1.61 1.02 -0.73 -4.96 119.74 116.49 2qaj s LYS 74 Ca 0.20 0.99 0.15 0.00 0.02 0.00 0.00 55.97 57.33 2qaj s LYS 74 Cb 0.19 -1.89 0.86 0.00 -0.52 0.00 0.00 37.83 36.47 2qaj s LYS 74 CO 0.57 -1.73 1.88 -0.44 -0.92 0.00 0.00 175.35 174.72 2qaj h ASP 75 N -1.18 0.00 0.40 2.83 3.45 -1.92 -2.89 116.42 117.11 2qaj h ASP 75 Ca -0.46 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.00 2qaj h ASP 75 Cb 1.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 2qaj h ASP 75 CO 0.54 0.30 0.00 -0.90 -1.57 0.00 0.00 179.24 177.61 2qaj n ASP 76 N -4.06 0.00 -1.11 6.45 3.85 -1.26 -2.19 116.55 118.23 2qaj n ASP 76 Ca -0.02 0.32 0.12 0.00 -0.71 0.00 0.00 54.79 54.49 2qaj n ASP 76 Cb 0.36 -0.41 0.23 0.00 -1.35 0.00 0.00 41.12 39.95 2qaj n ASP 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2qaj h GLU 78 N 4.32 0.61 -0.49 0.00 4.81 -1.60 -2.97 114.58 119.26 2qaj h GLU 78 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2qaj h GLU 78 Cb 0.95 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2qaj h GLU 78 CO 0.00 0.57 0.00 0.54 -0.73 0.00 0.00 179.01 179.39 2qaj n ARG 79 N -4.31 3.84 0.00 1.92 5.12 -1.26 -5.05 116.66 116.92 2qaj n ARG 79 Ca 0.02 -2.91 0.00 0.00 -1.93 0.00 0.00 57.85 53.04 2qaj n ARG 79 Cb 0.21 -1.96 0.00 0.00 -1.16 0.00 0.00 32.46 29.55 2qaj n ARG 79 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qaj n GLY 80 N 0.44 2.90 3.57 -0.13 0.00 -1.12 -3.21 105.19 107.64 2qaj n GLY 80 Ca 0.24 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 2qaj n GLY 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qaj s PHE 81 N -2.07 -0.32 -0.36 1.61 -0.12 -0.51 -4.27 117.98 111.93 2qaj s PHE 81 Ca 0.00 0.11 0.01 0.00 -0.05 0.00 0.00 56.93 57.00 2qaj s PHE 81 Cb 0.00 0.58 0.11 0.00 -0.63 0.00 0.00 43.02 43.08 2qaj s PHE 81 CO 0.00 -0.71 0.14 -1.17 -0.05 0.00 0.00 175.22 173.42 2qaj s LEU 82 N -2.67 2.91 0.28 -1.99 2.96 0.03 -0.99 118.68 119.21 2qaj s LEU 82 Ca 0.06 -2.08 -0.29 0.00 -0.22 0.00 0.00 54.13 51.61 2qaj s LEU 82 Cb -0.01 -1.08 -0.09 0.00 0.50 0.00 0.00 46.19 45.50 2qaj s LEU 82 CO -0.06 -0.36 1.04 -0.76 -1.32 0.00 0.00 176.35 174.89 2qaj s LEU 83 N 1.04 4.54 -0.09 -0.68 1.43 -0.32 -0.54 118.68 124.06 2qaj s LEU 83 Ca 0.13 2.14 -0.02 0.00 -1.03 0.00 0.00 54.13 55.34 2qaj s LEU 83 Cb -0.20 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.37 2qaj s LEU 83 CO -0.13 -0.07 0.01 -0.62 0.23 0.00 0.00 176.35 175.77 2qaj s ASP 84 N -1.05 1.82 0.00 2.29 -1.08 0.91 -0.55 116.67 119.01 2qaj s ASP 84 Ca 0.45 -0.22 0.00 0.00 -0.52 0.00 0.00 52.55 52.26 2qaj s ASP 84 Cb -0.29 -0.45 0.00 0.00 -1.46 0.00 0.00 42.92 40.72 2qaj s ASP 84 CO 0.37 -0.22 0.00 0.61 0.52 0.00 0.00 175.17 176.45 2qaj n GLY 85 N 5.14 0.79 3.13 2.66 0.00 -1.13 -2.60 105.19 113.18 2qaj n GLY 85 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 2qaj n GLY 85 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qaj s PHE 86 N -3.01 -0.35 0.69 1.61 2.19 -1.26 -4.16 117.98 113.68 2qaj s PHE 86 Ca 0.00 0.83 -0.11 0.00 0.33 0.00 0.00 56.93 57.98 2qaj s PHE 86 Cb 0.00 0.10 0.01 0.00 -1.31 0.00 0.00 43.02 41.83 2qaj s PHE 86 CO 0.00 -0.21 1.07 -1.25 1.83 0.00 0.00 175.22 176.67 2qaj s PRO 87 N 0.75 2.85 -0.03 10.12 0.04 -1.26 -4.69 135.00 142.78 2qaj s PRO 87 Ca -0.05 0.39 0.05 0.00 0.04 0.00 0.00 61.00 61.44 2qaj s PRO 87 Cb -0.06 -2.05 0.09 0.00 0.04 0.00 0.00 34.50 32.51 2qaj s PRO 87 CO -0.05 -1.00 1.04 2.89 0.04 0.00 0.00 177.00 179.93 2qaj n ARG 88 N -2.95 0.26 -3.75 4.56 1.85 -1.26 -4.95 116.66 110.41 2qaj n ARG 88 Ca 0.07 -1.40 -0.13 0.00 -1.00 0.00 0.00 57.85 55.38 2qaj n ARG 88 Cb 0.57 -0.67 -0.09 0.00 -1.05 0.00 0.00 32.46 31.22 2qaj n ARG 88 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2qaj s THR 89 N -0.59 0.05 0.39 8.89 -4.23 -1.26 -4.81 115.64 114.07 2qaj s THR 89 Ca 0.09 -0.39 0.07 0.00 -1.18 0.00 0.00 61.69 60.28 2qaj s THR 89 Cb 0.08 -0.60 0.28 0.00 1.34 0.00 0.00 72.50 73.61 2qaj s THR 89 CO -0.01 -0.21 2.01 0.58 -0.54 0.00 0.00 174.62 176.45 2qaj h VAL 90 N 3.96 1.05 -0.48 2.29 2.07 -1.88 -1.27 116.25 122.00 2qaj h VAL 90 Ca -0.29 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2qaj h VAL 90 Cb 1.18 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2qaj h VAL 90 CO 0.38 0.12 0.28 0.00 0.02 0.00 0.00 177.57 178.37 2qaj h ALA 91 N 1.67 0.62 -0.14 1.67 0.00 -1.99 0.20 119.26 121.28 2qaj h ALA 91 Ca 0.24 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2qaj h ALA 91 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2qaj h ALA 91 CO -0.06 0.12 -0.34 1.96 0.00 0.00 0.00 179.25 180.92 2qaj h GLN 92 N 0.64 0.29 -0.38 0.00 4.20 -1.79 -2.19 115.11 115.89 2qaj h GLN 92 Ca 0.17 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 2qaj h GLN 92 Cb 0.02 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2qaj h GLN 92 CO -0.03 0.60 -0.05 0.00 -0.67 0.00 0.00 178.83 178.69 2qaj h ALA 93 N 1.39 0.52 -0.54 3.87 0.00 -0.59 -0.79 119.26 123.12 2qaj h ALA 93 Ca 0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2qaj h ALA 93 Cb 0.73 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2qaj h ALA 93 CO 0.06 0.34 0.07 0.93 0.00 0.00 0.00 179.25 180.64 2qaj h GLU 94 N 0.51 0.90 -0.50 0.00 5.08 -0.86 -2.46 114.58 117.25 2qaj h GLU 94 Ca 0.10 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2qaj h GLU 94 Cb 0.54 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2qaj h GLU 94 CO 0.03 0.89 0.29 0.00 -1.00 0.00 0.00 179.01 179.22 2qaj h ALA 95 N 0.98 0.64 -0.55 3.43 0.00 -1.25 -2.55 119.26 119.96 2qaj h ALA 95 Ca 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2qaj h ALA 95 Cb 0.43 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2qaj h ALA 95 CO 0.01 0.14 0.25 1.25 0.00 0.00 0.00 179.25 180.90 2qaj h LEU 96 N 0.67 0.70 -0.42 0.00 5.85 -1.01 -1.67 115.31 119.43 2qaj h LEU 96 Ca 0.18 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.87 2qaj h LEU 96 Cb 0.01 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2qaj h LEU 96 CO -0.03 0.61 0.18 -0.33 -0.34 0.00 0.00 178.44 178.53 2qaj h GLU 97 N 0.77 0.36 -0.22 1.25 5.08 -1.02 0.27 114.58 121.07 2qaj h GLU 97 Ca 0.19 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2qaj h GLU 97 Cb 0.11 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2qaj h GLU 97 CO -0.02 0.24 0.10 0.93 -1.00 0.00 0.00 179.01 179.25 2qaj h GLU 98 N 0.37 0.33 -0.53 2.33 5.08 -1.29 -0.54 114.58 120.32 2qaj h GLU 98 Ca 0.19 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2qaj h GLU 98 Cb 0.14 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2qaj h GLU 98 CO -0.16 0.37 0.32 0.82 -1.00 0.00 0.00 179.01 179.35 2qaj h ILE 99 N 0.21 1.05 -0.05 3.13 2.04 -0.79 -0.99 117.51 122.12 2qaj h ILE 99 Ca 0.08 -0.22 -0.16 0.00 1.00 0.00 0.00 64.86 65.56 2qaj h ILE 99 Cb 0.16 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2qaj h ILE 99 CO -0.01 0.11 -0.68 -0.07 0.00 0.00 0.00 178.15 177.51 2qaj h LEU 100 N 0.63 0.26 -0.97 1.44 3.38 -0.33 -0.33 115.31 119.38 2qaj h LEU 100 Ca 0.22 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2qaj h LEU 100 Cb 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2qaj h LEU 100 CO -0.10 0.86 -0.38 -0.33 0.09 0.00 0.00 178.44 178.57 2qaj h GLU 101 N 0.15 0.26 0.04 1.13 5.08 -0.86 0.35 114.58 120.73 2qaj h GLU 101 Ca -0.02 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2qaj h GLU 101 Cb 1.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2qaj h GLU 101 CO 0.10 0.61 -0.02 1.49 -1.00 0.00 0.00 179.01 180.19 2qaj h GLU 102 N 0.22 -0.05 0.00 2.33 4.81 -0.91 -3.11 114.58 117.86 2qaj h GLU 102 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2qaj h GLU 102 Cb 0.77 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2qaj h GLU 102 CO 0.06 0.36 0.00 0.66 -0.73 0.00 0.00 179.01 179.36 2qaj n TYR 103 N -4.91 0.31 -2.48 0.92 4.01 -0.16 -4.90 117.16 109.95 2qaj n TYR 103 Ca -0.08 0.10 -0.09 0.00 -0.16 0.00 0.00 57.90 57.67 2qaj n TYR 103 Cb 0.23 -0.67 0.01 0.00 -0.31 0.00 0.00 39.34 38.60 2qaj n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qaj n GLY 104 N 0.81 0.12 2.54 2.72 0.00 0.10 -4.97 105.19 106.52 2qaj n GLY 104 Ca 0.05 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 2qaj n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qaj n LYS 105 N -2.08 2.03 -1.78 1.61 5.02 0.14 -5.03 118.16 118.09 2qaj n LYS 105 Ca -0.06 -4.04 -0.38 0.00 -2.02 0.00 0.00 58.31 51.80 2qaj n LYS 105 Cb 0.56 -1.93 0.05 0.00 -0.02 0.00 0.00 35.03 33.69 2qaj n LYS 105 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2qaj s PRO 106 N -2.95 3.00 0.33 1.97 0.04 -1.25 -4.80 135.00 131.34 2qaj s PRO 106 Ca 0.43 2.19 -0.29 0.00 0.04 0.00 0.00 61.00 63.38 2qaj s PRO 106 Cb 0.33 -2.15 -0.11 0.00 0.04 0.00 0.00 34.50 32.61 2qaj s PRO 106 CO -0.10 -1.29 1.47 0.42 0.04 0.00 0.00 177.00 177.53 2qaj s ILE 107 N -1.33 2.27 -0.12 0.56 -1.09 -1.26 -4.61 121.20 115.61 2qaj s ILE 107 Ca 0.74 0.25 -0.07 0.00 -2.23 0.00 0.00 60.65 59.35 2qaj s ILE 107 Cb -0.40 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 2qaj s ILE 107 CO 0.46 0.05 -0.13 0.44 -1.23 0.00 0.00 174.94 174.53 2qaj h ASP 108 N 3.70 0.00 -5.00 3.58 3.32 -0.60 -3.49 116.42 117.94 2qaj h ASP 108 Ca -0.49 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.43 2qaj h ASP 108 Cb 1.23 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.58 2qaj h ASP 108 CO 0.69 0.66 -0.35 -0.31 -1.72 0.00 0.00 179.24 178.21 2qaj s TYR 109 N -2.03 -0.09 -0.30 4.55 1.51 -1.22 -4.80 117.35 114.97 2qaj s TYR 109 Ca -0.11 0.09 -0.09 0.00 -1.01 0.00 0.00 57.07 55.95 2qaj s TYR 109 Cb 0.01 0.04 -0.01 0.00 -0.11 0.00 0.00 41.96 41.90 2qaj s TYR 109 CO 0.16 -0.37 0.13 0.08 -1.11 0.00 0.00 175.55 174.44 2qaj s VAL 110 N -1.48 4.47 -0.36 0.71 1.01 0.33 -2.76 120.40 122.32 2qaj s VAL 110 Ca -0.13 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 2qaj s VAL 110 Cb -0.06 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2qaj s VAL 110 CO 0.03 0.11 0.59 -0.63 0.00 0.00 0.00 175.10 175.20 2qaj s ILE 111 N 1.60 4.93 -0.38 2.22 1.01 0.57 0.14 121.20 131.28 2qaj s ILE 111 Ca 0.05 0.44 -0.17 0.00 0.00 0.00 0.00 60.65 60.97 2qaj s ILE 111 Cb -0.17 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.25 2qaj s ILE 111 CO 0.05 -0.32 0.43 0.21 0.00 0.00 0.00 174.94 175.31 2qaj s ASN 112 N 1.81 6.21 -0.77 3.58 3.04 0.13 -0.98 114.94 127.96 2qaj s ASN 112 Ca 0.22 -0.37 -0.21 0.00 0.04 0.00 0.00 52.86 52.54 2qaj s ASN 112 Cb -0.15 -2.22 0.09 0.00 -1.54 0.00 0.00 41.25 37.43 2qaj s ASN 112 CO 0.15 -0.47 1.03 -0.63 -3.04 0.00 0.00 177.10 174.14 2qaj s ILE 113 N 2.15 4.48 -0.09 -5.21 1.01 -0.15 -1.30 121.20 122.09 2qaj s ILE 113 Ca 0.13 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 59.63 2qaj s ILE 113 Cb -0.16 -4.73 -0.03 0.00 0.01 0.00 0.00 42.46 37.55 2qaj s ILE 113 CO 0.13 -1.48 1.25 -1.61 0.00 0.00 0.00 174.94 173.22 2qaj s GLU 114 N 3.53 4.30 -0.06 2.79 2.02 -0.07 -4.49 118.70 126.71 2qaj s GLU 114 Ca 0.26 1.70 -0.03 0.00 0.02 0.00 0.00 54.97 56.92 2qaj s GLU 114 Cb -0.12 -3.65 0.04 0.00 0.10 0.00 0.00 34.13 30.50 2qaj s GLU 114 CO 0.02 -0.56 0.14 0.08 0.02 0.00 0.00 175.26 174.95 2qaj s VAL 115 N 2.76 -0.10 0.02 2.63 1.01 -1.26 -0.67 120.40 124.78 2qaj s VAL 115 Ca 0.56 0.23 -0.36 0.00 0.00 0.00 0.00 61.98 62.41 2qaj s VAL 115 Cb -0.24 -0.24 -0.15 0.00 0.00 0.00 0.00 36.38 35.75 2qaj s VAL 115 CO 0.19 0.09 1.53 -0.67 0.00 0.00 0.00 175.10 176.25 2qaj n ASP 116 N 4.48 2.31 0.24 3.32 4.64 -1.26 -4.81 116.55 125.46 2qaj n ASP 116 Ca -0.21 1.09 0.15 0.00 -1.38 0.00 0.00 54.79 54.44 2qaj n ASP 116 Cb 0.51 -1.26 0.82 0.00 -1.04 0.00 0.00 41.12 40.16 2qaj n ASP 116 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 2qaj h LYS 117 N 5.86 0.00 -0.00 -0.67 3.11 -2.00 -2.57 116.57 120.30 2qaj h LYS 117 Ca -0.47 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 2qaj h LYS 117 Cb 1.31 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.54 2qaj h LYS 117 CO 0.86 0.00 -0.04 -0.25 -2.81 0.00 0.00 179.45 177.21 2qaj n ASP 118 N -2.59 0.09 -0.22 4.20 10.43 -1.26 -3.48 116.55 123.72 2qaj n ASP 118 Ca -0.02 -0.05 0.02 0.00 2.57 0.00 0.00 54.79 57.31 2qaj n ASP 118 Cb 0.10 -0.28 0.04 0.00 1.84 0.00 0.00 41.12 42.81 2qaj n ASP 118 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 2qaj n VAL 119 N -1.30 0.47 0.09 2.53 0.24 -0.97 -4.68 118.33 114.71 2qaj n VAL 119 Ca 0.12 -0.73 -0.06 0.00 -2.04 0.00 0.00 64.34 61.62 2qaj n VAL 119 Cb 0.28 0.82 -0.01 0.00 -1.47 0.00 0.00 33.84 33.45 2qaj n VAL 119 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2qaj h LEU 120 N 0.86 0.10 -0.71 1.34 3.38 -1.67 -3.05 115.31 115.57 2qaj h LEU 120 Ca 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2qaj h LEU 120 Cb 0.38 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2qaj h LEU 120 CO 0.00 0.92 0.41 -0.03 0.09 0.00 0.00 178.44 179.84 2qaj h MET 121 N 0.04 0.96 -0.42 1.13 4.05 -1.83 -1.92 114.93 116.94 2qaj h MET 121 Ca -0.03 -0.09 -0.12 0.00 -0.28 0.00 0.00 59.70 59.18 2qaj h MET 121 Cb 1.52 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 32.11 2qaj h MET 121 CO 0.12 0.70 -0.19 1.49 0.23 0.00 0.00 176.91 179.25 2qaj h GLU 122 N 0.96 0.87 -0.83 0.39 4.57 -1.89 -0.24 114.58 118.41 2qaj h GLU 122 Ca 0.25 -0.38 0.04 0.00 -1.18 0.00 0.00 59.36 58.10 2qaj h GLU 122 Cb -0.01 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.50 2qaj h GLU 122 CO -0.05 1.02 0.52 0.00 -1.18 0.00 0.00 179.01 179.33 2qaj h ARG 123 N 0.69 0.96 0.08 1.92 3.08 -1.38 -1.79 114.38 117.95 2qaj h ARG 123 Ca 0.09 -0.06 -0.27 0.00 0.07 0.00 0.00 59.98 59.81 2qaj h ARG 123 Cb 0.75 -0.22 0.02 0.00 0.08 0.00 0.00 29.97 30.60 2qaj h ARG 123 CO 0.06 0.64 -1.15 -0.07 -1.07 0.00 0.00 179.97 178.38 2qaj h LEU 124 N 0.99 0.70 -0.83 3.04 3.38 -1.23 -2.92 115.31 118.44 2qaj h LEU 124 Ca 0.34 -0.63 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 2qaj h LEU 124 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2qaj h LEU 124 CO -0.14 1.45 -0.26 0.71 0.09 0.00 0.00 178.44 180.30 2qaj h THR 125 N 0.23 1.27 -0.20 0.22 1.35 -0.88 -2.60 112.91 112.31 2qaj h THR 125 Ca -0.14 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 2qaj h THR 125 Cb 1.82 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 2qaj h THR 125 CO 0.21 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 2qaj n GLY 126 N -0.30 0.30 3.75 5.82 0.00 -0.69 -4.91 105.19 109.16 2qaj n GLY 126 Ca -0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 2qaj n GLY 126 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qaj s ARG 127 N -1.75 4.61 -0.04 1.61 3.52 -0.98 -0.89 118.95 125.04 2qaj s ARG 127 Ca 0.30 1.79 0.01 0.00 -0.13 0.00 0.00 55.73 57.70 2qaj s ARG 127 Cb 0.16 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 30.36 2qaj s ARG 127 CO 0.24 0.14 -0.02 1.03 -0.81 0.00 0.00 175.30 175.88 2qaj s ARG 128 N -1.04 0.54 0.04 5.12 1.81 0.37 -4.70 118.95 121.09 2qaj s ARG 128 Ca 0.47 -0.00 0.08 0.00 -1.72 0.00 0.00 55.73 54.56 2qaj s ARG 128 Cb -0.31 -0.65 -0.03 0.00 -0.45 0.00 0.00 34.95 33.51 2qaj s ARG 128 CO 0.39 -0.12 -0.24 -1.50 -0.68 0.00 0.00 175.30 173.15 2qaj s ILE 129 N 1.00 1.94 -0.14 1.52 2.07 -0.25 0.15 121.20 127.49 2qaj s ILE 129 Ca -0.10 -1.30 -0.29 0.00 -1.41 0.00 0.00 60.65 57.54 2qaj s ILE 129 Cb -0.14 -1.67 -0.02 0.00 0.13 0.00 0.00 42.46 40.76 2qaj s ILE 129 CO -0.01 0.30 1.36 0.00 -1.91 0.00 0.00 174.94 174.68 2qaj n SER 131 N 6.78 0.00 -0.05 0.00 3.41 -0.45 -0.38 113.62 122.92 2qaj n SER 131 Ca 0.15 -1.39 -0.11 0.00 -0.26 0.00 0.00 58.87 57.26 2qaj n SER 131 Cb 0.44 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.35 2qaj n SER 131 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2qaj n VAL 132 N -0.56 0.59 0.21 -3.33 0.31 -1.26 -4.83 118.33 109.46 2qaj n VAL 132 Ca 0.02 -0.16 0.02 0.00 -0.01 0.00 0.00 64.34 64.21 2qaj n VAL 132 Cb 0.01 -1.51 -0.03 0.00 -0.91 0.00 0.00 33.84 31.40 2qaj n VAL 132 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qaj n GLY 134 N 1.23 0.85 3.72 0.00 0.00 0.49 -5.01 105.19 106.46 2qaj n GLY 134 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2qaj n GLY 134 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qaj s THR 135 N -3.46 2.34 0.10 2.61 -1.32 -1.26 -4.59 115.64 110.06 2qaj s THR 135 Ca 0.00 0.15 0.06 0.00 -1.21 0.00 0.00 61.69 60.69 2qaj s THR 135 Cb 0.00 -2.62 -0.04 0.00 -1.51 0.00 0.00 72.50 68.33 2qaj s THR 135 CO 0.00 -0.10 -0.07 0.42 -2.21 0.00 0.00 174.62 172.66 2qaj s THR 136 N -2.16 3.59 0.21 5.08 -4.23 -1.26 -1.90 115.64 114.96 2qaj s THR 136 Ca 0.72 -1.18 0.04 0.00 -1.18 0.00 0.00 61.69 60.08 2qaj s THR 136 Cb -0.27 -2.69 -0.05 0.00 1.34 0.00 0.00 72.50 70.83 2qaj s THR 136 CO 0.48 0.11 -0.02 -0.31 -0.54 0.00 0.00 174.62 174.34 2qaj s TYR 137 N -1.25 1.49 -0.03 3.99 2.02 0.12 -4.99 117.35 118.69 2qaj s TYR 137 Ca 0.23 -0.91 0.00 0.00 -0.37 0.00 0.00 57.07 56.02 2qaj s TYR 137 Cb -0.11 -0.84 0.03 0.00 -0.40 0.00 0.00 41.96 40.63 2qaj s TYR 137 CO 0.15 -0.04 -0.00 -1.58 -1.57 0.00 0.00 175.55 172.51 2qaj s HIS 138 N -3.43 0.37 0.43 2.71 5.65 -0.18 -0.48 115.29 120.37 2qaj s HIS 138 Ca 0.26 -0.02 0.27 0.00 0.25 0.00 0.00 55.06 55.82 2qaj s HIS 138 Cb 0.05 -0.47 1.35 0.00 -1.18 0.00 0.00 32.58 32.34 2qaj s HIS 138 CO 0.07 -0.15 1.66 -0.07 -0.65 0.00 0.00 174.74 175.60 2qaj h LEU 139 N 7.37 0.29 0.00 8.88 3.38 -1.29 -1.52 115.31 132.43 2qaj h LEU 139 Ca -0.39 0.13 -0.22 0.00 0.09 0.00 0.00 57.88 57.49 2qaj h LEU 139 Cb 1.13 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 2qaj h LEU 139 CO 0.44 -0.12 -1.77 0.52 0.09 0.00 0.00 178.44 177.60 2qaj n VAL 140 N -4.68 0.77 0.15 1.22 0.31 -1.26 -4.52 118.33 110.32 2qaj n VAL 140 Ca 0.34 -0.25 0.05 0.00 -0.01 0.00 0.00 64.34 64.47 2qaj n VAL 140 Cb 1.30 -1.30 0.05 0.00 -0.91 0.00 0.00 33.84 32.98 2qaj n VAL 140 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2qaj h PHE 141 N -0.24 0.00 0.00 3.52 0.04 -1.94 -3.41 116.94 114.91 2qaj h PHE 141 Ca -0.33 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.23 2qaj h PHE 141 Cb 1.39 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.40 2qaj h PHE 141 CO -0.01 0.38 -0.46 -1.71 -0.60 0.00 0.00 178.31 175.90 2qaj n ASN 142 N -3.17 -2.75 -4.82 2.17 5.15 -0.84 -4.94 115.26 106.06 2qaj n ASN 142 Ca 0.02 -3.32 -0.32 0.00 -0.60 0.00 0.00 54.58 50.35 2qaj n ASN 142 Cb 0.69 1.82 -0.00 0.00 -0.53 0.00 0.00 39.78 41.75 2qaj n ASN 142 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2qaj s PRO 143 N 0.60 3.53 0.70 1.20 0.04 -0.63 -1.01 135.00 139.43 2qaj s PRO 143 Ca 0.30 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 2qaj s PRO 143 Cb 0.24 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.72 2qaj s PRO 143 CO -0.21 -0.63 1.06 -1.25 0.04 0.00 0.00 177.00 176.01 2qaj s PRO 144 N -4.18 2.94 0.10 0.56 0.04 -1.26 -4.93 135.00 128.27 2qaj s PRO 144 Ca 0.61 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 2qaj s PRO 144 Cb -0.14 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.28 2qaj s PRO 144 CO 0.37 -1.07 1.63 0.87 0.04 0.00 0.00 177.00 178.83 2qaj h LYS 145 N -0.70 -0.61 -4.94 4.56 6.56 -1.92 -3.38 116.57 116.14 2qaj h LYS 145 Ca -0.44 0.04 -0.65 0.00 -1.06 0.00 0.00 60.65 58.54 2qaj h LYS 145 Cb 1.21 0.14 -0.23 0.00 -0.57 0.00 0.00 32.23 32.79 2qaj h LYS 145 CO 0.58 -0.41 -0.62 0.99 -2.06 0.00 0.00 179.45 177.93 2qaj s THR 146 N -6.03 4.34 0.04 -0.16 2.01 -1.26 -5.06 115.64 109.52 2qaj s THR 146 Ca -0.16 -0.19 -0.36 0.00 0.31 0.00 0.00 61.69 61.29 2qaj s THR 146 Cb 0.06 -3.04 -0.15 0.00 0.01 0.00 0.00 72.50 69.38 2qaj s THR 146 CO 0.64 0.32 1.52 -0.81 -0.69 0.00 0.00 174.62 175.60 2qaj n PRO 147 N 4.93 1.57 -0.06 4.92 -0.04 -1.26 -1.92 135.00 143.13 2qaj n PRO 147 Ca -0.16 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 2qaj n PRO 147 Cb 0.51 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 2qaj n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qaj n GLY 148 N 3.21 0.98 3.11 0.55 0.00 -1.26 -5.05 105.19 106.73 2qaj n GLY 148 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 2qaj n GLY 148 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qaj s ILE 149 N -2.41 0.59 0.42 -0.61 -4.36 -0.81 -1.28 121.20 112.74 2qaj s ILE 149 Ca 0.00 -1.50 -0.24 0.00 -0.26 0.00 0.00 60.65 58.65 2qaj s ILE 149 Cb 0.00 -1.14 -0.08 0.00 1.25 0.00 0.00 42.46 42.49 2qaj s ILE 149 CO 0.00 -0.64 1.14 0.00 0.24 0.00 0.00 174.94 175.68 2qaj h ASP 151 N 2.38 -0.09 0.43 0.00 5.19 -1.93 -2.65 116.42 119.75 2qaj h ASP 151 Ca -0.49 -0.47 -0.02 0.00 -0.62 0.00 0.00 57.03 55.43 2qaj h ASP 151 Cb 1.24 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 2qaj h ASP 151 CO 0.62 0.47 -0.27 0.11 -3.12 0.00 0.00 179.24 177.05 2qaj h LYS 152 N -0.70 -0.63 0.00 3.56 1.57 -2.00 -3.40 116.57 114.98 2qaj h LYS 152 Ca -0.01 0.04 -0.32 0.00 -1.87 0.00 0.00 60.65 58.49 2qaj h LYS 152 Cb 0.56 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 2qaj h LYS 152 CO 0.02 -0.42 -2.21 -0.40 -0.57 0.00 0.00 179.45 175.86 2qaj n ASP 153 N -4.00 1.12 0.00 0.86 5.68 -1.26 -5.03 116.55 113.93 2qaj n ASP 153 Ca -0.08 -0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 2qaj n ASP 153 Cb 0.27 0.59 0.00 0.00 -1.14 0.00 0.00 41.12 40.84 2qaj n ASP 153 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qaj n GLY 154 N 2.06 1.20 3.72 6.12 0.00 -1.00 -5.01 105.19 112.28 2qaj n GLY 154 Ca -0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2qaj n GLY 154 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qaj s GLY 155 N -2.00 1.57 0.31 -0.02 0.00 -1.26 -4.43 107.32 101.50 2qaj s GLY 155 Ca 0.00 -0.38 -0.26 0.00 0.00 0.00 0.00 44.72 44.08 2qaj s GLY 155 CO 0.00 0.20 0.93 -0.54 0.00 0.00 0.00 173.10 173.68 2qaj s GLU 156 N -5.07 4.56 -0.04 2.90 2.02 -1.26 0.24 118.70 122.06 2qaj s GLU 156 Ca 0.65 1.30 -0.04 0.00 0.02 0.00 0.00 54.97 56.89 2qaj s GLU 156 Cb -0.17 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 2qaj s GLU 156 CO 0.56 0.29 0.19 -0.51 0.02 0.00 0.00 175.26 175.81 2qaj s LEU 157 N -2.03 4.38 0.31 1.80 1.43 -0.40 -1.35 118.68 122.81 2qaj s LEU 157 Ca 0.49 0.42 0.05 0.00 -1.03 0.00 0.00 54.13 54.06 2qaj s LEU 157 Cb -0.19 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 2qaj s LEU 157 CO 0.24 0.30 0.23 -0.72 0.23 0.00 0.00 176.35 176.62 2qaj s TYR 158 N -1.24 1.63 -0.19 0.29 1.13 -0.33 -4.88 117.35 113.77 2qaj s TYR 158 Ca 0.24 -1.56 -0.06 0.00 -1.41 0.00 0.00 57.07 54.28 2qaj s TYR 158 Cb -0.13 -0.73 -0.03 0.00 -1.10 0.00 0.00 41.96 39.97 2qaj s TYR 158 CO 0.14 -0.75 0.03 -0.65 -2.51 0.00 0.00 175.55 171.81 2qaj s GLN 159 N -3.64 3.82 0.36 -3.49 -0.21 -1.26 -1.09 119.66 114.15 2qaj s GLN 159 Ca 0.39 -0.43 -0.29 0.00 0.02 0.00 0.00 55.36 55.05 2qaj s GLN 159 Cb 0.03 -3.13 -0.11 0.00 1.00 0.00 0.00 33.01 30.80 2qaj s GLN 159 CO 0.23 0.18 1.51 0.54 -2.12 0.00 0.00 175.29 175.63 2qaj n ARG 160 N 3.79 2.68 -0.07 2.91 1.74 -1.26 -4.87 116.66 121.58 2qaj n ARG 160 Ca -0.17 0.94 0.16 0.00 -0.77 0.00 0.00 57.85 58.01 2qaj n ARG 160 Cb 0.52 -2.69 0.57 0.00 -1.02 0.00 0.00 32.46 29.85 2qaj n ARG 160 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qaj h ALA 161 N 3.42 2.22 -0.43 7.54 0.00 -2.01 -1.28 119.26 128.72 2qaj h ALA 161 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2qaj h ALA 161 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qaj h ALA 161 CO 0.68 -0.37 0.00 -0.40 0.00 0.00 0.00 179.25 179.16 2qaj n ASP 162 N -4.44 2.38 -0.67 0.00 5.75 -1.26 -4.00 116.55 114.31 2qaj n ASP 162 Ca 0.11 -2.03 0.10 0.00 -0.01 0.00 0.00 54.79 52.95 2qaj n ASP 162 Cb 0.49 -0.30 0.31 0.00 -1.03 0.00 0.00 41.12 40.59 2qaj n ASP 162 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2qaj n ASP 163 N 0.74 1.99 -4.78 -1.12 8.00 -0.48 -3.77 116.55 117.12 2qaj n ASP 163 Ca 0.14 -1.81 -0.35 0.00 0.71 0.00 0.00 54.79 53.48 2qaj n ASP 163 Cb 0.39 -0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 2qaj n ASP 163 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qaj s ASN 164 N -1.43 6.12 0.17 -2.24 4.22 -1.26 -4.48 114.94 116.04 2qaj s ASN 164 Ca 0.32 2.11 -0.19 0.00 -2.14 0.00 0.00 52.86 52.96 2qaj s ASN 164 Cb 0.17 -2.58 0.09 0.00 1.28 0.00 0.00 41.25 40.22 2qaj s ASN 164 CO 0.25 -0.94 1.28 1.21 -2.04 0.00 0.00 177.10 176.87 2qaj n GLU 165 N -0.88 -0.27 -0.11 3.55 2.13 -1.26 -1.09 120.64 122.72 2qaj n GLU 165 Ca 0.09 1.27 -0.09 0.00 0.66 0.00 0.00 57.16 59.09 2qaj n GLU 165 Cb 0.51 -1.88 -0.02 0.00 0.27 0.00 0.00 31.44 30.32 2qaj n GLU 165 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2qaj h GLU 166 N 0.00 0.48 -0.59 5.31 4.81 -1.96 -1.90 114.58 120.72 2qaj h GLU 166 Ca 0.22 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 2qaj h GLU 166 Cb 0.43 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2qaj h GLU 166 CO -0.81 0.44 0.01 1.15 -0.73 0.00 0.00 179.01 179.07 2qaj h THR 167 N 0.40 1.26 -0.11 0.32 2.02 -1.68 -1.73 112.91 113.40 2qaj h THR 167 Ca 0.11 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.18 2qaj h THR 167 Cb 0.12 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2qaj h THR 167 CO -0.01 0.41 0.03 0.58 0.37 0.00 0.00 175.52 176.89 2qaj h VAL 168 N 0.95 0.96 -0.88 3.16 2.07 -0.94 0.17 116.25 121.74 2qaj h VAL 168 Ca 0.17 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.72 2qaj h VAL 168 Cb 0.54 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 2qaj h VAL 168 CO 0.03 0.01 0.55 0.28 0.02 0.00 0.00 177.57 178.47 2qaj h SER 169 N 0.08 0.88 -0.35 0.57 0.02 -1.16 0.14 113.55 113.73 2qaj h SER 169 Ca 0.05 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2qaj h SER 169 Cb 0.03 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 2qaj h SER 169 CO -0.06 0.57 0.15 0.50 -1.14 0.00 0.00 176.83 176.86 2qaj h LYS 170 N 1.02 0.52 -0.83 3.45 1.63 -0.64 0.47 116.57 122.19 2qaj h LYS 170 Ca 0.38 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 60.08 2qaj h LYS 170 Cb 0.14 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 2qaj h LYS 170 CO -0.16 0.49 0.46 0.00 -3.45 0.00 0.00 179.45 176.79 2qaj h ARG 171 N 0.42 1.15 -0.54 1.90 3.08 0.15 0.71 114.38 121.25 2qaj h ARG 171 Ca 0.12 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2qaj h ARG 171 Cb 0.16 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2qaj h ARG 171 CO -0.01 0.84 0.06 -0.07 -1.07 0.00 0.00 179.97 179.73 2qaj h LEU 172 N 1.15 0.83 0.35 3.04 3.38 -0.35 -1.27 115.31 122.45 2qaj h LEU 172 Ca 0.29 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2qaj h LEU 172 Cb 0.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2qaj h LEU 172 CO -0.05 0.86 -0.17 -0.08 0.09 0.00 0.00 178.44 179.09 2qaj h GLU 173 N 0.83 -0.45 -0.95 1.13 4.81 -0.26 -0.49 114.58 119.19 2qaj h GLU 173 Ca 0.17 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 2qaj h GLU 173 Cb 0.40 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 2qaj h GLU 173 CO 0.01 -0.14 0.63 0.28 -0.73 0.00 0.00 179.01 179.06 2qaj h VAL 174 N -0.81 1.20 0.10 0.32 2.07 -0.85 -2.96 116.25 115.32 2qaj h VAL 174 Ca -0.05 -0.43 -0.27 0.00 0.82 0.00 0.00 66.70 66.77 2qaj h VAL 174 Cb 0.52 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2qaj h VAL 174 CO 0.08 0.23 -1.29 0.78 0.02 0.00 0.00 177.57 177.38 2qaj h ASN 175 N 1.25 0.32 -0.84 0.57 4.21 -1.28 -3.29 115.58 116.51 2qaj h ASN 175 Ca 0.37 -0.37 0.04 0.00 1.21 0.00 0.00 56.30 57.54 2qaj h ASN 175 Cb -0.07 -0.10 -0.05 0.00 -1.12 0.00 0.00 38.32 36.98 2qaj h ASN 175 CO -0.10 1.30 0.55 0.24 -1.29 0.00 0.00 177.43 178.13 2qaj h MET 176 N 0.06 0.99 0.00 0.81 2.86 -0.97 -0.05 114.93 118.63 2qaj h MET 176 Ca -0.15 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2qaj h MET 176 Cb 1.95 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 33.38 2qaj h MET 176 CO 0.17 0.66 0.00 0.36 1.06 0.00 0.00 176.91 179.16 2qaj n LYS 177 N -4.45 0.10 -0.00 1.72 2.85 -1.13 -2.44 118.16 114.80 2qaj n LYS 177 Ca 0.11 0.10 0.09 0.00 -1.05 0.00 0.00 58.31 57.56 2qaj n LYS 177 Cb 0.13 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 32.88 2qaj n LYS 177 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2qaj n GLN 178 N -1.44 0.77 0.43 -1.58 1.13 -0.17 -4.68 117.38 111.84 2qaj n GLN 178 Ca 0.07 -0.08 -0.17 0.00 -1.94 0.00 0.00 57.00 54.88 2qaj n GLN 178 Cb 0.24 -1.40 -0.08 0.00 0.11 0.00 0.00 30.24 29.11 2qaj n GLN 178 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2qaj h THR 179 N 0.00 0.00 -0.98 5.09 2.02 -0.83 -2.96 112.91 115.25 2qaj h THR 179 Ca 0.00 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.24 2qaj h THR 179 Cb 0.63 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.98 2qaj h THR 179 CO 0.00 0.00 0.63 -0.61 0.37 0.00 0.00 175.52 175.91 2qaj h GLN 180 N -1.09 1.10 -0.08 6.66 5.75 -1.84 -0.57 115.11 125.03 2qaj h GLN 180 Ca -0.11 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.27 2qaj h GLN 180 Cb 0.83 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 2qaj h GLN 180 CO 0.18 0.72 -0.21 -1.35 -2.65 0.00 0.00 178.83 175.53 2qaj h PRO 181 N 1.13 0.13 0.04 -2.39 0.11 -1.84 0.32 132.00 129.50 2qaj h PRO 181 Ca 0.43 -0.04 -0.27 0.00 0.11 0.00 0.00 66.00 66.24 2qaj h PRO 181 Cb 0.20 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 31.31 2qaj h PRO 181 CO -0.17 0.35 -1.09 1.25 -0.21 0.00 0.00 178.00 178.13 2qaj h LEU 182 N 0.12 0.79 -0.67 2.35 5.85 -1.15 -1.79 115.31 120.82 2qaj h LEU 182 Ca 0.02 -0.67 -0.06 0.00 0.84 0.00 0.00 57.88 58.01 2qaj h LEU 182 Cb 0.45 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2qaj h LEU 182 CO 0.03 1.47 0.18 -0.07 -0.34 0.00 0.00 178.44 179.71 2qaj h LEU 183 N 0.31 1.00 -0.56 2.25 3.38 -0.83 -1.44 115.31 119.42 2qaj h LEU 183 Ca -0.13 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 2qaj h LEU 183 Cb 1.74 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 2qaj h LEU 183 CO 0.20 0.97 0.17 0.44 0.09 0.00 0.00 178.44 180.31 2qaj h ASP 184 N 0.99 0.82 -0.22 -0.43 3.32 -0.94 0.42 116.42 120.39 2qaj h ASP 184 Ca 0.21 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qaj h ASP 184 Cb 0.34 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2qaj h ASP 184 CO -0.00 0.81 0.14 0.15 -1.72 0.00 0.00 179.24 178.62 2qaj h PHE 185 N 0.79 0.28 0.00 4.55 3.04 -1.00 -0.06 116.94 124.53 2qaj h PHE 185 Ca 0.18 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 62.01 2qaj h PHE 185 Cb 0.29 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 2qaj h PHE 185 CO 0.02 0.20 -0.57 1.88 -2.02 0.00 0.00 178.31 177.82 2qaj h TYR 186 N 0.28 0.00 -0.22 0.41 0.05 -1.16 -2.65 116.97 113.68 2qaj h TYR 186 Ca 0.08 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.72 2qaj h TYR 186 Cb -0.01 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 2qaj h TYR 186 CO -0.06 0.57 -0.43 1.03 -1.05 0.00 0.00 178.16 178.23 2qaj h SER 187 N 0.00 0.56 0.05 3.88 0.87 0.03 -0.66 113.55 118.28 2qaj h SER 187 Ca -0.01 -0.26 -0.10 0.00 -1.23 0.00 0.00 61.79 60.20 2qaj h SER 187 Cb 1.38 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 2qaj h SER 187 CO 0.07 0.92 -0.31 -0.08 -0.53 0.00 0.00 176.83 176.90 2qaj h GLU 188 N 0.43 0.39 0.00 2.24 4.22 -0.92 -2.40 114.58 118.55 2qaj h GLU 188 Ca 0.03 -0.16 -0.07 0.00 0.08 0.00 0.00 59.36 59.24 2qaj h GLU 188 Cb 0.92 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2qaj h GLU 188 CO 0.08 0.67 -0.34 0.87 -2.18 0.00 0.00 179.01 178.11 2qaj h LYS 189 N 0.34 0.00 0.00 1.92 1.79 -1.10 -3.48 116.57 116.04 2qaj h LYS 189 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2qaj h LYS 189 Cb 0.73 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2qaj h LYS 189 CO 0.06 0.34 0.00 0.41 -1.08 0.00 0.00 179.45 179.18 2qaj n GLY 190 N 0.95 0.68 1.75 3.86 0.00 -0.29 -4.96 105.19 107.17 2qaj n GLY 190 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2qaj n GLY 190 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2qaj n TYR 191 N -2.00 2.16 -2.87 1.61 4.11 -1.20 -4.94 117.16 114.03 2qaj n TYR 191 Ca 0.00 -1.47 -0.41 0.00 -0.00 0.00 0.00 57.90 56.02 2qaj n TYR 191 Cb 0.00 -0.68 -0.04 0.00 -0.00 0.00 0.00 39.34 38.62 2qaj n TYR 191 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 2qaj s LEU 192 N -3.14 4.27 -0.22 -3.48 2.96 -1.24 -0.51 118.68 117.31 2qaj s LEU 192 Ca 0.52 1.33 0.02 0.00 -0.22 0.00 0.00 54.13 55.78 2qaj s LEU 192 Cb 0.43 -3.31 0.04 0.00 0.50 0.00 0.00 46.19 43.86 2qaj s LEU 192 CO 0.09 -0.30 -0.15 0.00 -1.32 0.00 0.00 176.35 174.67 2qaj s ALA 193 N 1.51 2.41 0.07 5.97 0.00 0.12 -4.91 121.76 126.93 2qaj s ALA 193 Ca 0.42 -1.46 -0.16 0.00 0.00 0.00 0.00 51.96 50.76 2qaj s ALA 193 Cb -0.18 -1.37 -0.06 0.00 0.00 0.00 0.00 23.12 21.51 2qaj s ALA 193 CO 0.18 -0.76 0.50 -0.80 0.00 0.00 0.00 175.76 174.87 2qaj s ASN 194 N 1.21 6.89 0.01 0.00 -0.87 -1.26 -0.69 114.94 120.22 2qaj s ASN 194 Ca -0.02 1.08 0.03 0.00 -1.57 0.00 0.00 52.86 52.38 2qaj s ASN 194 Cb -0.16 -2.29 -0.01 0.00 -0.02 0.00 0.00 41.25 38.77 2qaj s ASN 194 CO -0.09 0.24 -0.09 -0.69 -2.57 0.00 0.00 177.10 173.91 2qaj s VAL 195 N -1.21 0.68 -0.51 1.60 1.01 -0.42 -4.93 120.40 116.63 2qaj s VAL 195 Ca 0.30 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 2qaj s VAL 195 Cb -0.17 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.64 2qaj s VAL 195 CO 0.17 0.09 1.03 0.21 0.00 0.00 0.00 175.10 176.59 2qaj s ASN 196 N -0.49 6.48 0.00 3.32 2.47 -1.26 -0.90 114.94 124.57 2qaj s ASN 196 Ca 0.01 0.09 0.30 0.00 0.42 0.00 0.00 52.86 53.68 2qaj s ASN 196 Cb -0.05 -2.49 1.39 0.00 -1.45 0.00 0.00 41.25 38.66 2qaj s ASN 196 CO -0.00 -1.22 1.94 0.61 -3.72 0.00 0.00 177.10 174.72 2qaj n GLY 197 N 4.98 -0.60 2.95 1.21 0.00 0.15 -4.51 105.19 109.37 2qaj n GLY 197 Ca 0.07 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 2qaj n GLY 197 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qaj n GLN 198 N -0.54 4.20 -3.40 1.61 6.02 -1.24 -4.91 117.38 119.11 2qaj n GLN 198 Ca 0.19 -4.20 -0.02 0.00 -0.01 0.00 0.00 57.00 52.96 2qaj n GLN 198 Cb 0.25 -2.65 0.02 0.00 1.02 0.00 0.00 30.24 28.87 2qaj n GLN 198 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2qaj n ARG 199 N 2.18 0.52 -1.57 -1.09 1.85 -1.26 -5.11 116.66 112.18 2qaj n ARG 199 Ca 0.31 -1.19 -0.44 0.00 -1.00 0.00 0.00 57.85 55.53 2qaj n ARG 199 Cb 0.34 1.61 -0.01 0.00 -1.05 0.00 0.00 32.46 33.35 2qaj n ARG 199 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2qaj n ASP 200 N -1.16 0.95 -0.26 2.89 9.92 -1.26 -4.67 116.55 122.96 2qaj n ASP 200 Ca -0.02 1.14 0.04 0.00 -0.53 0.00 0.00 54.79 55.42 2qaj n ASP 200 Cb 0.47 -1.26 0.18 0.00 -0.64 0.00 0.00 41.12 39.87 2qaj n ASP 200 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2qaj h ILE 201 N 1.76 0.71 0.00 0.53 2.04 -1.95 0.10 117.51 120.71 2qaj h ILE 201 Ca -0.39 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 2qaj h ILE 201 Cb 1.35 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2qaj h ILE 201 CO 0.59 0.09 -0.33 0.06 0.00 0.00 0.00 178.15 178.57 2qaj h GLN 202 N 0.50 0.00 -0.01 2.37 3.07 -1.99 -1.64 115.11 117.41 2qaj h GLN 202 Ca 0.40 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.90 2qaj h GLN 202 Cb 0.57 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.14 2qaj h GLN 202 CO -0.36 0.33 -0.97 -0.44 0.09 0.00 0.00 178.83 177.48 2qaj h ASP 203 N 0.00 0.70 -0.44 0.06 3.32 -1.23 -0.85 116.42 117.99 2qaj h ASP 203 Ca -0.00 -0.55 -0.01 0.00 0.02 0.00 0.00 57.03 56.48 2qaj h ASP 203 Cb 0.58 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2qaj h ASP 203 CO 0.04 1.35 0.23 0.58 -1.72 0.00 0.00 179.24 179.73 2qaj h VAL 204 N 0.31 1.17 -0.30 -1.35 2.07 -0.66 -2.28 116.25 115.21 2qaj h VAL 204 Ca -0.10 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 2qaj h VAL 204 Cb 1.61 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2qaj h VAL 204 CO 0.18 0.18 -0.13 0.22 0.02 0.00 0.00 177.57 178.04 2qaj h TYR 205 N 0.58 0.55 -0.58 1.57 3.20 -1.26 -1.84 116.97 119.19 2qaj h TYR 205 Ca 0.15 -0.09 0.07 0.00 3.14 0.00 0.00 58.73 62.01 2qaj h TYR 205 Cb 0.08 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.14 2qaj h TYR 205 CO -0.02 0.63 0.26 0.00 -1.64 0.00 0.00 178.16 177.39 2qaj h ALA 206 N 1.39 0.75 -0.37 1.82 0.00 -0.62 0.40 119.26 122.63 2qaj h ALA 206 Ca 0.09 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2qaj h ALA 206 Cb 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2qaj h ALA 206 CO 0.03 -0.13 -0.15 -0.44 0.00 0.00 0.00 179.25 178.56 2qaj h ASP 207 N 0.47 0.67 -0.51 0.00 3.45 -0.95 -1.66 116.42 117.89 2qaj h ASP 207 Ca 0.28 -0.21 -0.13 0.00 0.43 0.00 0.00 57.03 57.41 2qaj h ASP 207 Cb 0.27 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 2qaj h ASP 207 CO -0.24 0.84 -0.17 0.58 -1.57 0.00 0.00 179.24 178.68 2qaj h VAL 208 N 0.61 1.27 -0.25 -1.35 2.07 -0.37 -3.03 116.25 115.21 2qaj h VAL 208 Ca 0.10 -1.34 -0.11 0.00 0.82 0.00 0.00 66.70 66.18 2qaj h VAL 208 Cb 0.60 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2qaj h VAL 208 CO 0.04 0.47 -0.31 0.50 0.02 0.00 0.00 177.57 178.29 2qaj h LYS 209 N 0.89 0.51 -0.03 1.57 3.64 -0.04 -2.01 116.57 121.10 2qaj h LYS 209 Ca 0.12 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2qaj h LYS 209 Cb 0.75 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2qaj h LYS 209 CO 0.06 0.76 0.04 -0.44 -2.27 0.00 0.00 179.45 177.60 2qaj h ASP 210 N 0.44 0.00 0.00 4.20 3.45 -1.18 0.14 116.42 123.47 2qaj h ASP 210 Ca 0.05 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.38 2qaj h ASP 210 Cb 0.76 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.51 2qaj h ASP 210 CO 0.06 0.00 -0.91 0.25 -1.57 0.00 0.00 179.24 177.07 2qaj h LEU 211 N 0.00 0.00 -1.59 1.55 5.85 -1.45 -3.40 115.31 116.27 2qaj h LEU 211 Ca 0.01 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.44 2qaj h LEU 211 Cb 0.09 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2qaj h LEU 211 CO -0.00 1.17 0.32 -0.07 -0.34 0.00 0.00 178.44 179.52 2qaj h LEU 212 N -1.00 0.47 -0.98 2.25 4.07 -1.12 -1.81 115.31 117.19 2qaj h LEU 212 Ca -0.20 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.75 2qaj h LEU 212 Cb 0.96 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2qaj h LEU 212 CO -0.12 0.32 0.00 -0.62 -1.08 0.00 0.00 178.44 176.94 2qaj n GLU 213 N -4.47 0.14 0.00 1.13 -0.58 0.46 -0.91 120.64 116.41 2qaj n GLU 213 Ca 0.05 0.53 0.12 0.00 -0.42 0.00 0.00 57.16 57.44 2qaj n GLU 213 Cb 0.14 -1.87 0.23 0.00 -0.57 0.00 0.00 31.44 29.37 2qaj n GLU 213 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qaj n GLY 214 N -0.75 0.29 0.80 0.62 0.00 -0.68 -4.20 105.19 101.26 2qaj n GLY 214 Ca 0.00 -0.57 0.07 0.00 0.00 0.00 0.00 46.02 45.52 2qaj n GLY 214 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qaj n LEU 215 N 0.45 3.00 0.00 0.99 4.77 -0.09 -5.15 117.00 120.98 2qaj n LEU 215 Ca 0.14 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.37 2qaj n LEU 215 Cb 0.47 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 2qaj n LEU 215 CO 0.20 0.71 0.27 0.29 -1.33 0.00 0.00 177.39 177.53