#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qub s HIS 0 N 0.00 3.79 -0.81 7.33 3.76 -1.26 -4.78 115.29 123.32 2qub s HIS 0 Ca 0.00 1.58 0.07 0.00 -0.15 0.00 0.00 55.06 56.56 2qub s HIS 0 Cb 0.00 -2.86 0.04 0.00 1.11 0.00 0.00 32.58 30.87 2qub s HIS 0 CO 0.00 0.31 0.66 -1.33 -0.85 0.00 0.00 174.74 173.53 2qub n MET 1 N 2.52 0.81 0.00 1.40 2.00 -1.26 -4.95 117.12 117.65 2qub n MET 1 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 57.70 56.90 2qub n MET 1 Cb 0.50 -1.08 0.00 0.00 0.00 0.00 0.00 33.22 32.63 2qub n MET 1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2qub n GLY 2 N 0.53 2.20 0.29 3.03 0.00 -0.57 -4.38 105.19 106.28 2qub n GLY 2 Ca 0.04 -1.69 0.05 0.00 0.00 0.00 0.00 46.02 44.42 2qub n GLY 2 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qub h ILE 3 N 0.00 1.07 -0.64 -0.61 2.10 -1.72 -2.03 117.51 115.68 2qub h ILE 3 Ca 0.00 -0.16 -0.11 0.00 1.08 0.00 0.00 64.86 65.67 2qub h ILE 3 Cb 0.00 0.73 -0.07 0.00 -1.09 0.00 0.00 36.82 36.39 2qub h ILE 3 CO 0.00 0.07 0.14 0.49 -1.08 0.00 0.00 178.15 177.77 2qub n PHE 4 N -4.49 2.22 -1.73 2.19 3.72 -1.26 -4.03 117.46 114.09 2qub n PHE 4 Ca 0.01 -0.94 -0.41 0.00 -0.05 0.00 0.00 57.45 56.06 2qub n PHE 4 Cb 0.08 -0.59 0.01 0.00 -0.94 0.00 0.00 39.48 38.04 2qub n PHE 4 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2qub n SER 5 N 0.23 2.94 -3.89 4.37 2.88 -0.76 -4.76 113.62 114.61 2qub n SER 5 Ca 0.34 1.14 -0.22 0.00 -1.33 0.00 0.00 58.87 58.79 2qub n SER 5 Cb 1.27 -1.54 -0.17 0.00 -0.75 0.00 0.00 64.21 63.02 2qub n SER 5 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2qub s TYR 6 N -1.18 0.93 0.00 0.66 5.04 -1.26 -5.04 117.35 116.50 2qub s TYR 6 Ca 0.60 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.91 2qub s TYR 6 Cb -0.49 -0.82 0.00 0.00 0.35 0.00 0.00 41.96 40.99 2qub s TYR 6 CO 0.59 -0.27 0.00 1.63 -1.34 0.00 0.00 175.55 176.16 2qub n LYS 7 N 4.33 0.00 -0.54 4.97 5.02 -1.26 -1.75 118.16 128.93 2qub n LYS 7 Ca -0.20 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.15 2qub n LYS 7 Cb 0.51 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.78 2qub n LYS 7 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2qub n ASP 8 N 2.68 3.84 -4.75 4.39 5.75 -1.26 -5.01 116.55 122.19 2qub n ASP 8 Ca 0.00 -3.13 -0.37 0.00 -0.01 0.00 0.00 54.79 51.29 2qub n ASP 8 Cb 0.00 -0.58 0.03 0.00 -1.03 0.00 0.00 41.12 39.55 2qub n ASP 8 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qub s LEU 9 N -2.90 3.77 0.87 -2.12 1.43 -0.71 -5.02 118.68 114.00 2qub s LEU 9 Ca 0.44 2.50 -0.12 0.00 -1.03 0.00 0.00 54.13 55.92 2qub s LEU 9 Cb 0.36 -4.45 0.11 0.00 0.03 0.00 0.00 46.19 42.25 2qub s LEU 9 CO 0.08 -1.51 1.14 1.51 0.23 0.00 0.00 176.35 177.81 2qub s ASP 10 N -1.36 3.89 0.13 2.29 1.47 -1.26 -4.76 116.67 117.07 2qub s ASP 10 Ca 0.74 0.95 -0.20 0.00 1.18 0.00 0.00 52.55 55.22 2qub s ASP 10 Cb -0.33 -1.52 -0.03 0.00 -0.34 0.00 0.00 42.92 40.70 2qub s ASP 10 CO 0.38 -2.31 1.73 -0.08 0.68 0.00 0.00 175.17 175.57 2qub h GLU 11 N -1.33 0.10 -0.75 2.11 4.81 -1.95 -1.40 114.58 116.17 2qub h GLU 11 Ca -0.49 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2qub h GLU 11 Cb 1.32 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 2qub h GLU 11 CO 0.63 0.07 0.46 -0.91 -0.73 0.00 0.00 179.01 178.52 2qub h ASN 12 N 0.10 0.88 -0.38 1.04 2.35 -1.94 -0.95 115.58 116.69 2qub h ASN 12 Ca 0.09 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2qub h ASN 12 Cb 0.10 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2qub h ASN 12 CO -0.13 0.67 0.09 0.00 -1.65 0.00 0.00 177.43 176.41 2qub h ALA 13 N 1.48 0.50 -0.91 -0.83 0.00 -1.79 -1.89 119.26 115.83 2qub h ALA 13 Ca 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qub h ALA 13 Cb -0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2qub h ALA 13 CO -0.05 0.18 0.55 0.77 0.00 0.00 0.00 179.25 180.70 2qub h SER 14 N 0.47 1.09 -0.50 0.00 0.02 -0.92 -1.39 113.55 112.32 2qub h SER 14 Ca 0.12 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 2qub h SER 14 Cb 0.31 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2qub h SER 14 CO 0.00 0.84 0.15 0.11 -1.14 0.00 0.00 176.83 176.79 2qub h LYS 15 N 1.25 0.78 -0.43 3.45 1.57 -1.02 -0.95 116.57 121.23 2qub h LYS 15 Ca 0.33 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2qub h LYS 15 Cb -0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2qub h LYS 15 CO -0.06 0.73 0.20 0.00 -0.57 0.00 0.00 179.45 179.75 2qub h ALA 16 N 1.01 0.56 -0.18 3.86 0.00 -1.18 -1.83 119.26 121.50 2qub h ALA 16 Ca 0.16 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2qub h ALA 16 Cb 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2qub h ALA 16 CO -0.00 0.13 -0.05 1.25 0.00 0.00 0.00 179.25 180.57 2qub h LEU 17 N 0.55 -0.18 -0.41 0.00 5.85 -1.12 -1.98 115.31 118.02 2qub h LEU 17 Ca 0.15 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.97 2qub h LEU 17 Cb 0.13 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2qub h LEU 17 CO -0.02 -0.07 0.17 0.15 -0.34 0.00 0.00 178.44 178.33 2qub h PHE 18 N -0.01 0.30 -0.54 1.25 3.57 -1.00 -0.46 116.94 120.06 2qub h PHE 18 Ca 0.09 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.66 2qub h PHE 18 Cb 0.14 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 2qub h PHE 18 CO -0.21 0.13 0.27 1.03 -2.23 0.00 0.00 178.31 177.30 2qub h SER 19 N 0.34 0.38 -0.17 0.41 0.87 -1.07 -0.51 113.55 113.81 2qub h SER 19 Ca 0.19 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2qub h SER 19 Cb 0.15 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2qub h SER 19 CO -0.17 0.25 0.08 0.44 -0.53 0.00 0.00 176.83 176.90 2qub h ASP 20 N 0.51 0.22 -0.22 6.23 3.32 -0.93 -1.98 116.42 123.57 2qub h ASP 20 Ca 0.24 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.19 2qub h ASP 20 Cb 0.16 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 2qub h ASP 20 CO -0.17 0.29 0.02 0.00 -1.72 0.00 0.00 179.24 177.66 2qub h ALA 21 N 0.94 0.21 -0.41 3.45 0.00 -0.77 -1.49 119.26 121.18 2qub h ALA 21 Ca 0.06 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2qub h ALA 21 Cb 0.14 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2qub h ALA 21 CO -0.01 -0.41 -0.06 1.25 0.00 0.00 0.00 179.25 180.03 2qub h LEU 22 N 0.10 0.68 -0.22 0.00 5.85 -1.06 -0.67 115.31 119.99 2qub h LEU 22 Ca 0.10 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2qub h LEU 22 Cb 0.12 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2qub h LEU 22 CO -0.16 0.79 0.07 0.00 -0.34 0.00 0.00 178.44 178.80 2qub h ALA 23 N 1.29 0.29 -0.06 1.25 0.00 -0.96 -1.64 119.26 119.43 2qub h ALA 23 Ca 0.12 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2qub h ALA 23 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2qub h ALA 23 CO 0.03 -0.09 -0.64 -0.84 0.00 0.00 0.00 179.25 177.71 2qub h ILE 24 N 0.18 1.41 -0.38 0.00 3.07 -1.11 -1.97 117.51 118.70 2qub h ILE 24 Ca 0.07 -2.08 -0.01 0.00 1.55 0.00 0.00 64.86 64.39 2qub h ILE 24 Cb 0.23 2.07 -0.02 0.00 -0.27 0.00 0.00 36.82 38.84 2qub h ILE 24 CO -0.00 0.61 0.19 -1.28 -1.05 0.00 0.00 178.15 176.62 2qub h SER 25 N 0.16 0.49 -0.44 2.16 0.87 -1.04 -2.81 113.55 112.94 2qub h SER 25 Ca -0.01 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 2qub h SER 25 Cb 1.16 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 2qub h SER 25 CO 0.10 0.47 0.16 0.74 -0.53 0.00 0.00 176.83 177.77 2qub h THR 26 N 0.48 1.21 -0.82 2.23 2.02 -1.21 -3.03 112.91 113.78 2qub h THR 26 Ca 0.13 -0.66 0.12 0.00 0.77 0.00 0.00 66.41 66.77 2qub h THR 26 Cb 0.10 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 2qub h THR 26 CO -0.02 0.24 0.54 0.22 0.37 0.00 0.00 175.52 176.87 2qub h TYR 27 N 0.56 0.74 -0.13 3.16 3.20 -1.20 -1.69 116.97 121.61 2qub h TYR 27 Ca 0.14 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.07 2qub h TYR 27 Cb 0.22 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2qub h TYR 27 CO 0.01 0.30 0.20 0.00 -1.64 0.00 0.00 178.16 177.03 2qub h ALA 28 N 1.61 1.62 -0.00 1.82 0.00 -1.37 0.37 119.26 123.31 2qub h ALA 28 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2qub h ALA 28 Cb 0.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2qub h ALA 28 CO -0.16 -0.27 -0.23 0.66 0.00 0.00 0.00 179.25 179.25 2qub n TYR 29 N -3.55 0.00 -4.14 0.00 4.01 -0.63 -4.79 117.16 108.05 2qub n TYR 29 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 2qub n TYR 29 Cb 0.30 -0.37 -0.02 0.00 -0.31 0.00 0.00 39.34 38.94 2qub n TYR 29 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2qub n HIS 30 N -1.47 -1.84 -2.34 -0.72 8.25 0.12 -2.07 115.22 115.14 2qub n HIS 30 Ca 0.07 0.81 -0.19 0.00 -0.26 0.00 0.00 57.72 58.16 2qub n HIS 30 Cb 0.33 -3.22 -0.01 0.00 1.12 0.00 0.00 29.99 28.21 2qub n HIS 30 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2qub n ASN 31 N -2.72 -5.37 0.20 0.41 3.02 -1.26 -4.47 115.26 105.07 2qub n ASN 31 Ca 0.03 -0.01 0.08 0.00 -0.03 0.00 0.00 54.58 54.65 2qub n ASN 31 Cb 0.52 -4.43 0.61 0.00 -0.61 0.00 0.00 39.78 35.87 2qub n ASN 31 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2qub h ILE 32 N 0.00 1.00 -0.55 2.41 6.09 -1.76 -2.02 117.51 122.68 2qub h ILE 32 Ca -0.44 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 2qub h ILE 32 Cb 1.32 0.90 0.00 0.00 0.47 0.00 0.00 36.82 39.52 2qub h ILE 32 CO 0.52 0.02 0.00 -0.90 -3.07 0.00 0.00 178.15 174.72 2qub n ASP 33 N -4.52 5.12 -0.13 2.19 5.75 -1.26 -4.20 116.55 119.49 2qub n ASP 33 Ca -0.01 -2.73 -0.06 0.00 -0.01 0.00 0.00 54.79 51.97 2qub n ASP 33 Cb 0.11 -0.64 0.03 0.00 -1.03 0.00 0.00 41.12 39.59 2qub n ASP 33 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 2qub h ASN 34 N 3.72 0.31 -0.62 -1.12 -0.00 -1.49 -0.20 115.58 116.18 2qub h ASN 34 Ca 0.00 0.02 -0.07 0.00 -0.00 0.00 0.00 56.30 56.25 2qub h ASN 34 Cb 1.73 -0.04 -0.02 0.00 -0.00 0.00 0.00 38.32 39.99 2qub h ASN 34 CO 0.39 0.22 0.12 1.23 -0.00 0.00 0.00 177.43 179.39 2qub h GLY 35 N 0.43 1.09 0.99 1.57 0.00 -1.48 -2.29 103.07 103.39 2qub h GLY 35 Ca 0.18 -0.72 0.01 0.00 0.00 0.00 0.00 47.33 46.81 2qub h GLY 35 CO -0.13 0.66 0.56 -2.75 0.00 0.00 0.00 176.54 174.89 2qub h PHE 36 N 0.93 1.07 0.08 5.60 -0.00 -1.64 0.10 116.94 123.08 2qub h PHE 36 Ca 0.19 0.03 0.02 0.00 -0.00 0.00 0.00 57.97 58.21 2qub h PHE 36 Cb 0.40 -0.36 -0.03 0.00 -0.00 0.00 0.00 35.95 35.96 2qub h PHE 36 CO 0.03 0.67 -0.22 0.22 -0.00 0.00 0.00 178.31 179.01 2qub h ASP 37 N 1.15 -0.63 -0.16 0.41 1.82 -0.68 0.13 116.42 118.46 2qub h ASP 37 Ca 0.32 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 57.03 2qub h ASP 37 Cb -0.12 0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 2qub h ASP 37 CO -0.07 -0.30 0.10 -0.08 -1.61 0.00 0.00 179.24 177.28 2qub h GLU 38 N -0.39 0.21 0.10 0.28 4.81 -1.19 -2.55 114.58 115.85 2qub h GLU 38 Ca 0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2qub h GLU 38 Cb 0.43 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2qub h GLU 38 CO -0.15 0.17 -0.09 0.78 -0.73 0.00 0.00 179.01 178.99 2qub h GLY 39 N 0.20 -0.19 0.67 1.92 0.00 -0.78 -0.79 103.07 104.10 2qub h GLY 39 Ca 0.06 0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.54 2qub h GLY 39 CO -0.01 -0.10 0.14 -1.82 0.00 0.00 0.00 176.54 174.75 2qub h TYR 40 N -0.21 0.25 -0.23 5.60 3.20 -0.74 0.31 116.97 125.15 2qub h TYR 40 Ca 0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 2qub h TYR 40 Cb 0.20 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2qub h TYR 40 CO -0.11 0.10 -0.29 0.45 -1.64 0.00 0.00 178.16 176.67 2qub h HIS 41 N 0.30 0.53 0.01 -3.82 3.86 -1.24 0.48 115.15 115.27 2qub h HIS 41 Ca 0.18 -0.12 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 2qub h HIS 41 Cb 0.15 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 28.50 2qub h HIS 41 CO -0.14 0.71 -0.39 0.37 0.86 0.00 0.00 177.93 179.33 2qub h GLN 42 N 0.41 0.26 0.00 2.45 4.15 -0.68 0.61 115.11 122.30 2qub h GLN 42 Ca 0.05 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.19 2qub h GLN 42 Cb 0.72 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.49 2qub h GLN 42 CO 0.06 1.00 0.00 0.25 -1.93 0.00 0.00 178.83 178.21 2qub n THR 43 N -4.39 0.00 -4.27 2.39 -2.24 0.06 -4.62 114.28 101.21 2qub n THR 43 Ca -0.10 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2qub n THR 43 Cb 0.58 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 2qub n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qub n GLY 44 N 0.52 0.25 0.28 3.38 0.00 0.16 -3.92 105.19 105.86 2qub n GLY 44 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2qub n GLY 44 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qub n PHE 45 N 3.26 0.00 0.00 1.61 7.35 -1.26 -4.33 117.46 124.09 2qub n PHE 45 Ca 0.00 -0.05 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 2qub n PHE 45 Cb 0.00 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 39.80 2qub n PHE 45 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2qub n GLY 46 N -0.06 1.25 0.39 7.13 0.00 -1.26 -4.67 105.19 107.97 2qub n GLY 46 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 2qub n GLY 46 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qub h LEU 47 N 0.00 0.20 -0.38 0.99 3.38 -1.96 -0.96 115.31 116.58 2qub h LEU 47 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qub h LEU 47 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2qub h LEU 47 CO 0.00 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.24 2qub n GLY 48 N -1.59 -0.58 0.24 0.83 0.00 -1.25 -4.42 105.19 98.42 2qub n GLY 48 Ca 0.13 -0.26 0.02 0.00 0.00 0.00 0.00 46.02 45.91 2qub n GLY 48 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qub h LEU 49 N 0.84 -0.03 -0.97 0.99 5.85 -1.36 -1.17 115.31 119.46 2qub h LEU 49 Ca 0.00 0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.94 2qub h LEU 49 Cb 0.18 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 2qub h LEU 49 CO 0.00 -0.02 0.61 1.55 -0.34 0.00 0.00 178.44 180.24 2qub h PRO 50 N 0.24 1.01 -0.46 5.25 0.13 -1.83 -0.45 132.00 135.89 2qub h PRO 50 Ca 0.35 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 65.31 2qub h PRO 50 Cb 0.54 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 2qub h PRO 50 CO -0.45 0.67 -0.14 -0.07 -0.23 0.00 0.00 178.00 177.78 2qub h LEU 51 N 1.04 0.87 -0.58 1.56 3.38 -1.58 -1.93 115.31 118.07 2qub h LEU 51 Ca 0.45 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2qub h LEU 51 Cb 0.33 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2qub h LEU 51 CO -0.22 1.01 0.38 0.74 0.09 0.00 0.00 178.44 180.43 2qub h THR 52 N 0.78 1.12 -0.36 0.22 2.02 -0.46 -2.13 112.91 114.10 2qub h THR 52 Ca 0.12 -0.26 -0.14 0.00 0.77 0.00 0.00 66.41 66.91 2qub h THR 52 Cb 0.66 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2qub h THR 52 CO 0.05 0.14 -0.32 -0.07 0.37 0.00 0.00 175.52 175.69 2qub h LEU 53 N 0.76 0.83 -0.27 2.58 3.38 -0.87 -1.06 115.31 120.65 2qub h LEU 53 Ca 0.22 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2qub h LEU 53 Cb -0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2qub h LEU 53 CO -0.06 1.08 0.10 0.40 0.09 0.00 0.00 178.44 180.04 2qub h ILE 54 N 0.67 0.93 -0.39 1.22 2.04 -1.20 -1.60 117.51 119.18 2qub h ILE 54 Ca 0.07 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2qub h ILE 54 Cb 0.86 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2qub h ILE 54 CO 0.08 0.04 0.03 0.74 0.00 0.00 0.00 178.15 179.04 2qub h THR 55 N 0.22 1.21 -0.80 -0.27 2.02 -1.19 -1.36 112.91 112.73 2qub h THR 55 Ca 0.12 -0.80 0.02 0.00 0.77 0.00 0.00 66.41 66.52 2qub h THR 55 Cb 0.08 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2qub h THR 55 CO -0.12 0.28 0.53 0.00 0.37 0.00 0.00 175.52 176.58 2qub h ALA 56 N 1.45 1.48 0.12 6.16 0.00 -0.64 0.72 119.26 128.55 2qub h ALA 56 Ca 0.13 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 2qub h ALA 56 Cb 0.33 -0.30 0.03 0.00 0.00 0.00 0.00 17.79 17.84 2qub h ALA 56 CO 0.01 0.45 -1.02 -0.07 0.00 0.00 0.00 179.25 178.62 2qub h LEU 57 N 1.02 0.68 -1.09 0.00 3.38 -0.50 -1.67 115.31 117.13 2qub h LEU 57 Ca 0.31 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2qub h LEU 57 Cb -0.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2qub h LEU 57 CO -0.08 1.48 0.00 2.30 0.09 0.00 0.00 178.44 182.23 2qub n ILE 58 N -3.97 0.13 -4.91 1.22 -5.35 -0.59 -1.79 119.36 104.09 2qub n ILE 58 Ca -0.14 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 2qub n ILE 58 Cb 0.89 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.90 2qub n ILE 58 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qub n GLY 59 N -0.06 1.42 0.00 3.28 0.00 0.24 -4.25 105.19 105.81 2qub n GLY 59 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2qub n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qub n SER 60 N -1.61 0.00 0.01 1.61 3.41 0.03 -4.70 113.62 112.36 2qub n SER 60 Ca 0.00 -0.01 0.12 0.00 -0.26 0.00 0.00 58.87 58.72 2qub n SER 60 Cb 0.00 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.47 2qub n SER 60 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qub n THR 61 N 0.00 0.33 0.41 6.66 -2.24 -1.26 -3.75 114.28 114.43 2qub n THR 61 Ca 0.00 0.06 0.04 0.00 -2.27 0.00 0.00 64.05 61.88 2qub n THR 61 Cb 0.00 -0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 67.53 2qub n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qub n GLN 62 N -1.56 3.83 -3.81 -0.78 6.02 -1.26 -4.30 117.38 115.52 2qub n GLN 62 Ca 0.06 -0.08 -0.09 0.00 -0.01 0.00 0.00 57.00 56.87 2qub n GLN 62 Cb 0.30 -0.93 -0.07 0.00 1.02 0.00 0.00 30.24 30.56 2qub n GLN 62 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2qub s SER 63 N -1.75 0.03 -0.18 1.08 1.04 -1.25 -4.85 113.70 107.82 2qub s SER 63 Ca 0.04 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 55.91 2qub s SER 63 Cb 0.07 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 2qub s SER 63 CO 0.34 -0.73 -0.08 -1.58 0.98 0.00 0.00 173.24 172.16 2qub s GLN 64 N -3.68 3.37 0.00 4.02 0.74 -1.26 -0.79 119.66 122.05 2qub s GLN 64 Ca 0.03 -0.65 0.00 0.00 0.05 0.00 0.00 55.36 54.79 2qub s GLN 64 Cb 0.04 -2.84 0.00 0.00 1.10 0.00 0.00 33.01 31.30 2qub s GLN 64 CO -0.10 -0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 2qub n GLY 65 N 4.28 0.24 0.23 2.59 0.00 -1.26 -1.44 105.19 109.83 2qub n GLY 65 Ca -0.18 -1.74 0.08 0.00 0.00 0.00 0.00 46.02 44.18 2qub n GLY 65 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qub h GLY 66 N 0.00 0.00 -4.25 -0.02 0.00 -0.48 -3.44 103.07 94.87 2qub h GLY 66 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 2qub h GLY 66 CO 0.00 0.00 0.26 1.08 0.00 0.00 0.00 176.54 177.88 2qub s LEU 67 N -7.86 4.50 0.59 3.11 1.02 -0.79 -4.76 118.68 114.49 2qub s LEU 67 Ca -0.03 1.66 -0.04 0.00 0.02 0.00 0.00 54.13 55.74 2qub s LEU 67 Cb 0.14 -3.42 0.03 0.00 0.02 0.00 0.00 46.19 42.95 2qub s LEU 67 CO 0.66 0.01 0.87 -2.16 0.02 0.00 0.00 176.35 175.74 2qub s PRO 68 N -0.24 2.67 -0.09 1.29 0.04 -1.26 -4.65 135.00 132.77 2qub s PRO 68 Ca 0.42 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.14 2qub s PRO 68 Cb -0.22 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 31.98 2qub s PRO 68 CO 0.27 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.95 2qub n GLY 69 N -2.54 0.48 3.58 0.56 0.00 -1.26 -5.01 105.19 101.00 2qub n GLY 69 Ca 0.06 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2qub n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qub s LEU 70 N -0.18 4.22 0.56 0.99 1.43 -1.26 -4.95 118.68 119.48 2qub s LEU 70 Ca 0.00 0.24 0.34 0.00 -1.03 0.00 0.00 54.13 53.68 2qub s LEU 70 Cb 0.00 -2.82 1.56 0.00 0.03 0.00 0.00 46.19 44.96 2qub s LEU 70 CO 0.00 -0.58 2.06 1.55 0.23 0.00 0.00 176.35 179.61 2qub h PRO 71 N 8.40 0.00 -0.00 1.29 0.13 -2.01 -2.15 132.00 137.66 2qub h PRO 71 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2qub h PRO 71 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qub h PRO 71 CO 0.84 0.04 -0.17 -2.67 -0.23 0.00 0.00 178.00 175.80 2qub n TRP 72 N -3.18 0.00 -2.70 1.56 2.14 -1.26 -4.83 117.44 109.16 2qub n TRP 72 Ca -0.00 0.00 -0.35 0.00 2.07 0.00 0.00 57.50 59.22 2qub n TRP 72 Cb 0.26 -0.36 -0.06 0.00 -0.81 0.00 0.00 31.31 30.34 2qub n TRP 72 CO 0.00 0.00 0.00 -0.80 2.07 0.00 0.00 177.69 178.96 2qub s ASN 73 N -2.90 6.91 0.80 -0.67 0.02 -0.81 -4.20 114.94 114.09 2qub s ASN 73 Ca 0.16 1.85 -0.11 0.00 -1.02 0.00 0.00 52.86 53.74 2qub s ASN 73 Cb 0.19 -2.56 0.07 0.00 0.02 0.00 0.00 41.25 38.97 2qub s ASN 73 CO 0.57 -0.38 1.09 -2.16 0.02 0.00 0.00 177.10 176.24 2qub s PRO 74 N -2.74 2.05 -0.99 -0.60 0.04 -1.26 -4.95 135.00 126.55 2qub s PRO 74 Ca 0.59 0.92 -0.22 0.00 0.04 0.00 0.00 61.00 62.33 2qub s PRO 74 Cb -0.16 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.57 2qub s PRO 74 CO 0.20 -1.72 1.35 0.34 0.04 0.00 0.00 177.00 177.21 2qub s ASP 75 N -3.58 6.53 0.49 6.66 -1.08 -1.26 -4.54 116.67 119.89 2qub s ASP 75 Ca 0.61 -1.62 0.28 0.00 -0.52 0.00 0.00 52.55 51.31 2qub s ASP 75 Cb -0.16 -2.52 1.02 0.00 -1.46 0.00 0.00 42.92 39.80 2qub s ASP 75 CO 0.56 -1.38 1.86 0.77 0.52 0.00 0.00 175.17 177.50 2qub h SER 76 N 9.51 0.00 0.12 -0.34 4.64 -1.93 -2.43 113.55 123.12 2qub h SER 76 Ca 0.18 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.27 2qub h SER 76 Cb 1.02 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.11 2qub h SER 76 CO 1.33 0.09 -0.87 -0.33 -0.87 0.00 0.00 176.83 176.17 2qub h GLU 77 N 0.00 0.57 -0.63 4.77 5.08 -1.88 -0.75 114.58 121.74 2qub h GLU 77 Ca -0.00 -0.54 -0.03 0.00 -1.00 0.00 0.00 59.36 57.79 2qub h GLU 77 Cb 0.70 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 2qub h GLU 77 CO 0.01 1.16 0.27 0.37 -1.00 0.00 0.00 179.01 179.82 2qub h GLN 78 N 0.36 0.93 -0.89 2.33 -0.00 -1.89 -1.98 115.11 113.97 2qub h GLN 78 Ca -0.07 -0.16 0.03 0.00 -0.00 0.00 0.00 58.65 58.45 2qub h GLN 78 Cb 1.50 -0.16 -0.05 0.00 0.00 0.00 0.00 27.48 28.77 2qub h GLN 78 CO 0.16 0.77 0.58 0.00 0.00 0.00 0.00 178.83 180.34 2qub h ALA 79 N 1.11 1.18 -0.64 3.38 0.00 -1.28 -1.33 119.26 121.68 2qub h ALA 79 Ca 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2qub h ALA 79 Cb 0.18 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2qub h ALA 79 CO -0.02 0.43 0.33 0.00 0.00 0.00 0.00 179.25 179.99 2qub h ALA 80 N 1.37 0.83 -0.61 0.00 0.00 -0.87 -2.05 119.26 117.93 2qub h ALA 80 Ca 0.36 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2qub h ALA 80 Cb 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2qub h ALA 80 CO -0.12 0.37 0.16 0.37 0.00 0.00 0.00 179.25 180.03 2qub h GLN 81 N 0.88 0.96 -0.85 0.00 4.15 -0.98 -2.41 115.11 116.86 2qub h GLN 81 Ca 0.22 -0.22 0.01 0.00 0.77 0.00 0.00 58.65 59.43 2qub h GLN 81 Cb 0.08 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.60 2qub h GLN 81 CO -0.03 0.87 0.56 0.93 -1.93 0.00 0.00 178.83 179.23 2qub h GLU 82 N 0.88 1.10 -0.15 1.69 5.08 -1.03 -0.65 114.58 121.50 2qub h GLU 82 Ca 0.19 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2qub h GLU 82 Cb 0.33 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2qub h GLU 82 CO -0.00 0.73 0.03 0.00 -1.00 0.00 0.00 179.01 178.76 2qub h ALA 83 N 1.32 0.19 -0.32 3.43 0.00 -1.16 0.55 119.26 123.27 2qub h ALA 83 Ca 0.32 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 2qub h ALA 83 Cb -0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2qub h ALA 83 CO -0.08 -0.15 -0.34 -0.24 0.00 0.00 0.00 179.25 178.44 2qub h VAL 84 N 0.02 1.28 -0.77 0.00 3.04 -1.29 -1.64 116.25 116.90 2qub h VAL 84 Ca 0.04 -1.49 -0.05 0.00 -1.01 0.00 0.00 66.70 64.19 2qub h VAL 84 Cb 0.29 1.40 -0.03 0.00 -2.01 0.00 0.00 31.29 30.94 2qub h VAL 84 CO 0.00 0.49 0.28 0.78 -1.01 0.00 0.00 177.57 178.11 2qub h ASN 85 N 0.61 1.08 0.28 3.17 -0.26 -1.01 -2.18 115.58 117.27 2qub h ASN 85 Ca 0.06 -0.19 -0.05 0.00 -0.56 0.00 0.00 56.30 55.57 2qub h ASN 85 Cb 0.87 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.84 2qub h ASN 85 CO 0.08 0.98 -0.22 0.78 -1.06 0.00 0.00 177.43 177.98 2qub h ASN 86 N 1.12 0.00 0.39 5.81 2.35 -0.52 -0.92 115.58 123.81 2qub h ASN 86 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2qub h ASN 86 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2qub h ASN 86 CO -0.02 0.22 0.00 0.00 -1.65 0.00 0.00 177.43 175.99 2qub n ALA 87 N -2.45 2.27 0.00 -0.83 0.00 -0.65 -4.88 120.51 113.98 2qub n ALA 87 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2qub n ALA 87 Cb 0.29 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2qub n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qub n GLY 88 N 0.76 0.87 3.36 0.00 0.00 -0.35 -4.97 105.19 104.87 2qub n GLY 88 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2qub n GLY 88 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qub s TRP 89 N -2.00 2.71 0.05 1.61 0.52 -0.87 -4.26 118.94 116.70 2qub s TRP 89 Ca 0.00 -0.59 0.04 0.00 0.02 0.00 0.00 56.10 55.58 2qub s TRP 89 Cb 0.00 -1.75 -0.02 0.00 -1.15 0.00 0.00 33.47 30.55 2qub s TRP 89 CO 0.00 -0.14 -0.12 -1.54 0.02 0.00 0.00 176.95 175.16 2qub s SER 90 N 0.03 1.44 0.34 2.95 1.04 -0.69 -2.97 113.70 115.84 2qub s SER 90 Ca -0.06 -0.51 -0.29 0.00 0.48 0.00 0.00 55.95 55.58 2qub s SER 90 Cb -0.15 -0.06 -0.11 0.00 0.10 0.00 0.00 66.02 65.81 2qub s SER 90 CO 0.05 -0.05 1.45 -0.69 0.98 0.00 0.00 173.24 174.98 2qub s VAL 91 N -1.05 2.27 -0.18 5.02 1.01 -1.26 -0.59 120.40 125.61 2qub s VAL 91 Ca -0.02 0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 2qub s VAL 91 Cb -0.09 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2qub s VAL 91 CO 0.01 0.06 0.12 -0.63 0.00 0.00 0.00 175.10 174.66 2qub s ILE 92 N -0.89 5.32 0.58 2.22 1.01 0.15 -4.82 121.20 124.77 2qub s ILE 92 Ca 0.54 0.16 -0.14 0.00 0.00 0.00 0.00 60.65 61.20 2qub s ILE 92 Cb -0.45 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 2qub s ILE 92 CO 0.57 0.48 1.02 -0.94 0.00 0.00 0.00 174.94 176.07 2qub s SER 93 N 0.08 6.24 0.32 3.58 1.04 -1.26 -4.81 113.70 118.90 2qub s SER 93 Ca 0.09 1.54 -0.00 0.00 0.48 0.00 0.00 55.95 58.06 2qub s SER 93 Cb -0.11 -2.49 0.51 0.00 0.10 0.00 0.00 66.02 64.02 2qub s SER 93 CO -0.01 -0.85 1.97 0.00 0.98 0.00 0.00 173.24 175.33 2qub h ALA 94 N 0.21 1.44 -0.85 5.32 0.00 -1.92 -2.00 119.26 121.45 2qub h ALA 94 Ca -0.45 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.41 2qub h ALA 94 Cb 1.19 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2qub h ALA 94 CO 0.61 0.50 0.56 1.15 0.00 0.00 0.00 179.25 182.06 2qub h THR 95 N 1.00 1.17 -0.64 0.00 2.02 -1.93 -0.16 112.91 114.37 2qub h THR 95 Ca 0.26 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2qub h THR 95 Cb -0.08 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.27 2qub h THR 95 CO -0.05 0.20 0.34 1.56 0.37 0.00 0.00 175.52 177.94 2qub h GLN 96 N 1.10 0.88 0.00 6.66 4.20 -1.75 -2.78 115.11 123.42 2qub h GLN 96 Ca 0.33 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2qub h GLN 96 Cb -0.05 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.55 2qub h GLN 96 CO -0.10 0.65 -0.31 1.28 -0.67 0.00 0.00 178.83 179.69 2qub n LEU 97 N -4.38 0.31 -1.95 1.46 4.77 -0.82 -4.94 117.00 111.45 2qub n LEU 97 Ca 0.06 0.20 -0.16 0.00 -0.03 0.00 0.00 56.01 56.08 2qub n LEU 97 Cb 0.10 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2qub n LEU 97 CO 0.37 0.08 -0.15 0.61 -1.33 0.00 0.00 177.39 176.97 2qub n GLY 98 N 1.50 -0.27 3.65 -0.72 0.00 -0.15 -4.82 105.19 104.38 2qub n GLY 98 Ca 0.06 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 2qub n GLY 98 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qub s TYR 99 N -2.85 3.30 -1.78 1.61 5.04 -0.72 -4.98 117.35 116.97 2qub s TYR 99 Ca 0.06 0.25 0.20 0.00 -2.44 0.00 0.00 57.07 55.15 2qub s TYR 99 Cb -0.03 -2.33 0.64 0.00 0.35 0.00 0.00 41.96 40.60 2qub s TYR 99 CO 0.08 0.01 1.54 0.00 -1.34 0.00 0.00 175.55 175.83 2qub n ALA 100 N 4.48 2.57 -1.32 3.97 0.00 -1.26 -4.66 120.51 124.30 2qub n ALA 100 Ca -0.14 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.00 2qub n ALA 100 Cb 0.52 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2qub n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qub n GLY 101 N 1.48 -0.44 3.73 0.00 0.00 -1.26 -5.03 105.19 103.67 2qub n GLY 101 Ca 0.24 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 2qub n GLY 101 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qub s LYS 102 N -1.67 4.43 0.13 1.61 2.20 -1.26 -5.03 119.74 120.15 2qub s LYS 102 Ca 0.00 0.88 0.04 0.00 -0.36 0.00 0.00 55.97 56.53 2qub s LYS 102 Cb 0.00 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 2qub s LYS 102 CO 0.00 0.17 -0.10 0.95 -0.36 0.00 0.00 175.35 176.02 2qub s THR 103 N 0.42 1.07 0.12 3.43 -4.23 -1.26 -1.76 115.64 113.43 2qub s THR 103 Ca 0.36 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 2qub s THR 103 Cb -0.18 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 71.91 2qub s THR 103 CO 0.19 -0.74 0.13 -0.90 -0.54 0.00 0.00 174.62 172.76 2qub n ASP 104 N -0.08 0.91 0.27 3.99 5.68 -0.70 -4.94 116.55 121.68 2qub n ASP 104 Ca -0.11 -1.37 0.18 0.00 -0.50 0.00 0.00 54.79 52.98 2qub n ASP 104 Cb 0.60 -0.05 0.74 0.00 -1.14 0.00 0.00 41.12 41.27 2qub n ASP 104 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qub h ALA 105 N 0.57 1.00 -0.01 2.12 0.00 -2.03 -1.55 119.26 119.36 2qub h ALA 105 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qub h ALA 105 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2qub h ALA 105 CO 0.10 0.00 -0.12 0.54 0.00 0.00 0.00 179.25 179.77 2qub n ARG 106 N -3.02 1.38 -0.60 0.00 1.74 -1.26 -4.94 116.66 109.96 2qub n ARG 106 Ca 0.00 -0.86 0.00 0.00 -0.77 0.00 0.00 57.85 56.22 2qub n ARG 106 Cb 0.27 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 2qub n ARG 106 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qub n GLY 107 N 1.26 0.69 3.75 -0.13 0.00 -0.58 -5.05 105.19 105.14 2qub n GLY 107 Ca 0.16 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2qub n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qub s THR 108 N -2.00 3.62 0.04 2.61 2.01 -1.26 -4.77 115.64 115.89 2qub s THR 108 Ca 0.00 1.58 -0.11 0.00 0.31 0.00 0.00 61.69 63.47 2qub s THR 108 Cb 0.00 -4.01 -0.06 0.00 0.01 0.00 0.00 72.50 68.45 2qub s THR 108 CO 0.00 0.36 0.39 -0.31 -0.69 0.00 0.00 174.62 174.37 2qub s TYR 109 N -0.96 3.64 0.13 4.92 2.02 -0.41 -1.73 117.35 124.95 2qub s TYR 109 Ca 0.45 0.85 0.07 0.00 -0.37 0.00 0.00 57.07 58.07 2qub s TYR 109 Cb -0.31 -2.20 -0.04 0.00 -0.40 0.00 0.00 41.96 39.02 2qub s TYR 109 CO 0.39 0.57 -0.06 0.71 -1.57 0.00 0.00 175.55 175.59 2qub s TYR 110 N -1.27 2.80 0.39 2.71 2.02 -0.72 -1.54 117.35 121.73 2qub s TYR 110 Ca 0.29 -0.14 -0.26 0.00 -0.37 0.00 0.00 57.07 56.60 2qub s TYR 110 Cb -0.15 -1.42 -0.11 0.00 -0.40 0.00 0.00 41.96 39.88 2qub s TYR 110 CO 0.16 0.47 1.11 0.41 -1.57 0.00 0.00 175.55 176.12 2qub n GLY 111 N 0.41 0.06 0.07 0.71 0.00 -0.55 -4.68 105.19 101.21 2qub n GLY 111 Ca -0.12 0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.17 2qub n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qub n GLU 112 N 0.29 0.64 -4.29 1.61 1.02 0.40 -4.29 120.64 116.02 2qub n GLU 112 Ca 0.08 0.01 -0.32 0.00 -0.02 0.00 0.00 57.16 56.91 2qub n GLU 112 Cb 0.37 -1.66 -0.09 0.00 -0.02 0.00 0.00 31.44 30.04 2qub n GLU 112 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2qub s THR 113 N -3.19 3.99 0.16 2.62 2.01 -1.20 -5.00 115.64 115.03 2qub s THR 113 Ca -0.05 -0.74 -0.34 0.00 0.31 0.00 0.00 61.69 60.87 2qub s THR 113 Cb 0.10 -2.80 -0.15 0.00 0.01 0.00 0.00 72.50 69.67 2qub s THR 113 CO 0.85 0.32 1.48 0.00 -0.69 0.00 0.00 174.62 176.57 2qub n ALA 114 N 1.24 0.69 -0.03 7.40 0.00 -1.26 -0.78 120.51 127.77 2qub n ALA 114 Ca -0.14 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2qub n ALA 114 Cb 0.52 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.71 2qub n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qub n GLY 115 N 2.95 0.55 0.01 0.00 0.00 -1.26 -4.86 105.19 102.57 2qub n GLY 115 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2qub n GLY 115 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qub n TYR 116 N -2.00 0.00 0.56 1.61 4.01 0.04 -4.84 117.16 116.55 2qub n TYR 116 Ca 0.00 -0.36 0.07 0.00 -0.16 0.00 0.00 57.90 57.45 2qub n TYR 116 Cb 0.00 -0.04 0.32 0.00 -0.31 0.00 0.00 39.34 39.32 2qub n TYR 116 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2qub n THR 117 N -0.36 0.87 0.45 -0.72 -2.24 -1.22 -1.67 114.28 109.39 2qub n THR 117 Ca 0.00 0.22 0.11 0.00 -2.27 0.00 0.00 64.05 62.11 2qub n THR 117 Cb 0.33 -0.98 0.18 0.00 -2.10 0.00 0.00 70.33 67.76 2qub n THR 117 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qub n THR 118 N -1.42 0.38 -2.25 4.28 -2.24 -1.26 -4.22 114.28 107.54 2qub n THR 118 Ca 0.05 -0.69 -0.38 0.00 -2.27 0.00 0.00 64.05 60.76 2qub n THR 118 Cb 0.15 1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 69.47 2qub n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qub s ALA 119 N -1.55 3.11 -0.00 6.98 0.00 -0.67 -4.83 121.76 124.81 2qub s ALA 119 Ca 0.34 0.99 0.04 0.00 0.00 0.00 0.00 51.96 53.33 2qub s ALA 119 Cb 0.21 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 2qub s ALA 119 CO 0.30 -0.61 -0.13 -0.65 0.00 0.00 0.00 175.76 174.67 2qub s GLN 120 N -2.40 0.99 0.07 0.00 1.11 -1.26 -1.48 119.66 116.69 2qub s GLN 120 Ca 0.59 -0.48 0.03 0.00 0.01 0.00 0.00 55.36 55.50 2qub s GLN 120 Cb -0.31 -0.96 -0.03 0.00 -1.01 0.00 0.00 33.01 30.70 2qub s GLN 120 CO 0.39 0.26 -0.09 0.00 0.01 0.00 0.00 175.29 175.86 2qub s ALA 121 N -0.37 0.86 -0.04 6.09 0.00 -0.59 -1.09 121.76 126.62 2qub s ALA 121 Ca 0.04 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.04 2qub s ALA 121 Cb -0.05 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 2qub s ALA 121 CO -0.00 -0.04 -0.19 -1.21 0.00 0.00 0.00 175.76 174.31 2qub s GLU 122 N -2.35 2.40 -0.17 0.00 0.41 0.10 -1.29 118.70 117.79 2qub s GLU 122 Ca -0.01 -0.79 0.01 0.00 -0.41 0.00 0.00 54.97 53.77 2qub s GLU 122 Cb -0.05 -2.26 0.02 0.00 -1.78 0.00 0.00 34.13 30.06 2qub s GLU 122 CO -0.00 0.58 -0.18 0.08 -0.49 0.00 0.00 175.26 175.24 2qub s VAL 123 N -0.63 1.94 0.15 2.63 1.01 -1.26 -1.08 120.40 123.17 2qub s VAL 123 Ca 0.10 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.25 2qub s VAL 123 Cb -0.11 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2qub s VAL 123 CO 0.00 0.50 -0.13 -0.76 0.00 0.00 0.00 175.10 174.72 2qub s LEU 124 N 1.34 2.49 0.16 3.92 1.02 0.31 -0.68 118.68 127.23 2qub s LEU 124 Ca 0.05 -0.94 0.09 0.00 0.02 0.00 0.00 54.13 53.35 2qub s LEU 124 Cb -0.13 -0.52 -0.04 0.00 0.02 0.00 0.00 46.19 45.52 2qub s LEU 124 CO -0.12 -0.21 -0.21 -0.83 0.02 0.00 0.00 176.35 174.99 2qub s GLY 125 N -2.94 1.47 -0.05 -3.19 0.00 0.24 -0.63 107.32 102.22 2qub s GLY 125 Ca 0.15 -1.49 0.05 0.00 0.00 0.00 0.00 44.72 43.43 2qub s GLY 125 CO 0.03 -1.52 -0.18 1.25 0.00 0.00 0.00 173.10 172.68 2qub s LYS 126 N -2.54 2.45 0.07 2.90 2.20 -0.61 -1.70 119.74 122.52 2qub s LYS 126 Ca 0.15 -0.78 0.07 0.00 -0.36 0.00 0.00 55.97 55.05 2qub s LYS 126 Cb -0.07 -2.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.93 2qub s LYS 126 CO 0.07 0.56 -0.18 0.71 -0.36 0.00 0.00 175.35 176.15 2qub s TYR 127 N -0.59 1.56 0.72 4.03 2.02 -1.26 -0.27 117.35 123.57 2qub s TYR 127 Ca 0.08 -0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.28 2qub s TYR 127 Cb -0.11 -0.89 0.16 0.00 -0.40 0.00 0.00 41.96 40.72 2qub s TYR 127 CO 0.01 0.12 0.99 -0.40 -1.57 0.00 0.00 175.55 174.69 2qub n ASP 128 N 1.44 0.33 -4.56 2.29 5.68 0.22 -4.91 116.55 117.05 2qub n ASP 128 Ca -0.19 -1.51 -0.38 0.00 -0.50 0.00 0.00 54.79 52.21 2qub n ASP 128 Cb 0.54 -0.73 -0.03 0.00 -1.14 0.00 0.00 41.12 39.75 2qub n ASP 128 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2qub s SER 129 N -4.69 5.89 0.00 -1.12 1.04 -1.26 -2.32 113.70 111.24 2qub s SER 129 Ca 0.58 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2qub s SER 129 Cb -0.02 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2qub s SER 129 CO 0.40 -2.02 0.00 -0.62 0.98 0.00 0.00 173.24 171.98 2qub n GLU 130 N 9.08 0.00 -0.50 4.02 1.02 -1.26 -4.90 120.64 128.09 2qub n GLU 130 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2qub n GLU 130 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 2qub n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qub n GLY 131 N 0.00 0.75 3.72 0.62 0.00 -0.98 -5.05 105.19 104.25 2qub n GLY 131 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2qub n GLY 131 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qub s ASN 132 N -2.26 7.27 0.12 1.61 0.01 -1.26 -4.80 114.94 115.63 2qub s ASN 132 Ca 0.00 1.93 -0.31 0.00 -0.71 0.00 0.00 52.86 53.77 2qub s ASN 132 Cb 0.00 -2.59 -0.08 0.00 0.41 0.00 0.00 41.25 39.00 2qub s ASN 132 CO 0.00 -0.27 1.35 -0.22 -1.51 0.00 0.00 177.10 176.45 2qub s LEU 133 N 0.39 4.38 0.00 0.60 2.96 -1.26 -0.61 118.68 125.14 2qub s LEU 133 Ca 0.52 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 2qub s LEU 133 Cb -0.27 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.83 2qub s LEU 133 CO 0.31 -0.61 0.00 1.07 -1.32 0.00 0.00 176.35 175.80 2qub n THR 134 N 3.72 0.00 -3.51 3.68 5.66 0.63 -4.90 114.28 119.56 2qub n THR 134 Ca 0.10 -0.04 -0.12 0.00 -3.05 0.00 0.00 64.05 60.94 2qub n THR 134 Cb 0.43 0.53 -0.04 0.00 -1.55 0.00 0.00 70.33 69.70 2qub n THR 134 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qub s ALA 135 N -1.88 -1.38 -0.01 1.79 0.00 -1.16 -4.95 121.76 114.17 2qub s ALA 135 Ca 0.00 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.45 2qub s ALA 135 Cb 0.00 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 2qub s ALA 135 CO 0.00 -0.65 -0.18 0.42 0.00 0.00 0.00 175.76 175.35 2qub s ILE 136 N -3.29 1.43 -0.07 0.00 1.01 -0.68 -1.58 121.20 118.02 2qub s ILE 136 Ca -0.01 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.87 2qub s ILE 136 Cb -0.00 -1.20 -0.00 0.00 0.01 0.00 0.00 42.46 41.27 2qub s ILE 136 CO -0.09 0.37 -0.21 -0.83 0.00 0.00 0.00 174.94 174.18 2qub s GLY 137 N -0.52 1.16 -0.16 6.18 0.00 0.20 -1.10 107.32 113.07 2qub s GLY 137 Ca 0.07 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.93 2qub s GLY 137 CO -0.00 -0.41 -0.20 -0.42 0.00 0.00 0.00 173.10 172.06 2qub s ILE 138 N 0.11 2.10 -0.07 0.90 1.01 -0.28 -0.53 121.20 124.43 2qub s ILE 138 Ca -0.09 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.66 2qub s ILE 138 Cb -0.15 -1.86 -0.00 0.00 0.01 0.00 0.00 42.46 40.46 2qub s ILE 138 CO 0.05 0.54 -0.20 -0.55 0.00 0.00 0.00 174.94 174.78 2qub s SER 139 N 1.10 2.57 -0.15 3.58 0.15 -0.24 -1.25 113.70 119.46 2qub s SER 139 Ca 0.00 -0.44 -0.05 0.00 0.70 0.00 0.00 55.95 56.16 2qub s SER 139 Cb -0.14 -0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 63.19 2qub s SER 139 CO -0.08 0.15 0.03 -0.36 1.20 0.00 0.00 173.24 174.18 2qub s PHE 140 N 0.20 3.20 0.30 3.44 0.08 -0.64 0.03 117.98 124.59 2qub s PHE 140 Ca -0.10 0.04 -0.28 0.00 0.12 0.00 0.00 56.93 56.71 2qub s PHE 140 Cb -0.15 -1.98 -0.09 0.00 -0.57 0.00 0.00 43.02 40.23 2qub s PHE 140 CO 0.05 0.22 1.03 0.50 -0.10 0.00 0.00 175.22 176.91 2qub s ARG 141 N 0.00 4.61 0.00 0.44 3.52 -0.25 -3.82 118.95 123.44 2qub s ARG 141 Ca 0.04 1.60 0.00 0.00 -0.13 0.00 0.00 55.73 57.25 2qub s ARG 141 Cb -0.13 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 2qub s ARG 141 CO 0.01 0.24 0.00 0.41 -0.81 0.00 0.00 175.30 175.15 2qub n GLY 142 N 1.03 -1.74 3.73 8.12 0.00 -1.20 -3.44 105.19 111.70 2qub n GLY 142 Ca 0.00 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2qub n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qub s THR 143 N -0.83 2.08 0.00 2.61 2.01 -1.26 -4.78 115.64 115.46 2qub s THR 143 Ca 0.00 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.06 2qub s THR 143 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.47 2qub s THR 143 CO 0.00 0.01 0.00 -1.54 -0.69 0.00 0.00 174.62 172.40 2qub n SER 144 N 3.53 0.00 -1.27 3.53 3.41 -1.26 -5.05 113.62 116.51 2qub n SER 144 Ca 0.14 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.73 2qub n SER 144 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2qub n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qub n GLY 145 N -1.06 1.95 3.60 5.00 0.00 -1.26 -4.76 105.19 108.66 2qub n GLY 145 Ca 0.00 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 2qub n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qub n PRO 146 N -0.08 1.35 -0.32 1.61 -0.02 -1.26 -4.69 135.00 131.60 2qub n PRO 146 Ca -0.01 0.48 0.16 0.00 -2.02 0.00 0.00 63.50 62.11 2qub n PRO 146 Cb 0.09 -2.01 0.40 0.00 -0.02 0.00 0.00 33.50 31.96 2qub n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qub h ARG 147 N 1.62 0.60 0.00 -0.52 3.08 -1.97 -1.22 114.38 115.96 2qub h ARG 147 Ca -0.44 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2qub h ARG 147 Cb 1.34 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2qub h ARG 147 CO 0.57 0.39 0.00 0.93 -1.07 0.00 0.00 179.97 180.80 2qub h GLU 148 N 0.61 0.00 -0.21 0.04 3.07 -1.90 -3.02 114.58 113.17 2qub h GLU 148 Ca 0.55 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.20 2qub h GLU 148 Cb 1.05 0.00 -0.39 0.00 -0.84 0.00 0.00 28.75 28.57 2qub h GLU 148 CO -0.31 0.00 -1.08 -1.13 -1.40 0.00 0.00 179.01 175.10 2qub n SER 149 N -2.38 1.29 0.02 1.42 3.41 -0.54 -4.99 113.62 111.86 2qub n SER 149 Ca 0.01 -2.02 -0.11 0.00 -0.26 0.00 0.00 58.87 56.49 2qub n SER 149 Cb 0.17 -0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 63.68 2qub n SER 149 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2qub h LEU 150 N 1.78 -0.22 0.20 1.04 5.85 -1.22 -1.67 115.31 121.06 2qub h LEU 150 Ca -0.18 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2qub h LEU 150 Cb 1.59 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.73 2qub h LEU 150 CO 0.14 -0.10 -0.09 0.40 -0.34 0.00 0.00 178.44 178.44 2qub h ILE 151 N -0.10 0.90 -0.91 4.05 2.04 -1.89 -0.60 117.51 121.00 2qub h ILE 151 Ca 0.05 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2qub h ILE 151 Cb 0.17 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 2qub h ILE 151 CO -0.11 0.12 0.54 1.23 0.00 0.00 0.00 178.15 179.93 2qub h GLY 152 N -0.54 1.32 1.01 5.37 0.00 -1.99 -1.11 103.07 107.13 2qub h GLY 152 Ca -0.03 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.66 2qub h GLY 152 CO 0.04 0.53 -0.08 -1.80 0.00 0.00 0.00 176.54 175.23 2qub h ASP 153 N 1.25 0.85 -0.55 0.19 3.58 -1.22 -2.43 116.42 118.08 2qub h ASP 153 Ca 0.33 -0.35 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 2qub h ASP 153 Cb -0.05 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.75 2qub h ASP 153 CO -0.06 1.00 0.18 0.74 -2.88 0.00 0.00 179.24 178.22 2qub h THR 154 N 0.68 1.23 -0.45 2.25 2.02 -0.77 -1.69 112.91 116.19 2qub h THR 154 Ca 0.12 -0.78 0.06 0.00 0.77 0.00 0.00 66.41 66.57 2qub h THR 154 Cb 0.62 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 2qub h THR 154 CO 0.04 0.29 0.15 0.40 0.37 0.00 0.00 175.52 176.77 2qub h ILE 155 N 0.76 0.84 -0.53 3.11 2.04 -1.10 0.67 117.51 123.31 2qub h ILE 155 Ca 0.18 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 66.00 2qub h ILE 155 Cb 0.27 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 2qub h ILE 155 CO -0.01 0.06 0.21 1.23 0.00 0.00 0.00 178.15 179.64 2qub h GLY 156 N 0.32 0.73 1.00 5.37 0.00 -1.07 -1.68 103.07 107.74 2qub h GLY 156 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2qub h GLY 156 CO -0.22 0.03 0.36 -0.55 0.00 0.00 0.00 176.54 176.16 2qub h ASP 157 N 0.41 0.82 -0.71 0.19 3.32 -0.68 -2.47 116.42 117.30 2qub h ASP 157 Ca 0.25 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2qub h ASP 157 Cb 0.25 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2qub h ASP 157 CO -0.24 0.68 0.37 0.58 -1.72 0.00 0.00 179.24 178.91 2qub h VAL 158 N 0.90 1.22 -0.66 -1.35 2.07 -0.42 0.13 116.25 118.14 2qub h VAL 158 Ca 0.23 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2qub h VAL 158 Cb 0.04 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 2qub h VAL 158 CO -0.04 0.26 0.35 0.40 0.02 0.00 0.00 177.57 178.56 2qub h ILE 159 N 1.03 1.21 -0.41 4.57 2.04 -1.08 0.38 117.51 125.24 2qub h ILE 159 Ca 0.26 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 2qub h ILE 159 Cb 0.07 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 2qub h ILE 159 CO -0.04 0.24 0.25 0.78 0.00 0.00 0.00 178.15 179.38 2qub h ASN 160 N 0.91 0.50 -0.45 1.72 -0.26 -0.87 -1.76 115.58 115.38 2qub h ASN 160 Ca 0.23 -0.06 0.06 0.00 -0.56 0.00 0.00 56.30 55.98 2qub h ASN 160 Cb 0.06 -0.13 -0.05 0.00 -1.06 0.00 0.00 38.32 37.14 2qub h ASN 160 CO -0.04 0.41 0.13 0.44 -1.06 0.00 0.00 177.43 177.32 2qub h ASP 161 N 0.54 0.10 -0.64 5.81 3.32 -0.34 -1.54 116.42 123.68 2qub h ASP 161 Ca 0.15 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 2qub h ASP 161 Cb 0.01 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2qub h ASP 161 CO -0.03 0.09 0.10 -0.07 -1.72 0.00 0.00 179.24 177.61 2qub h LEU 162 N 0.29 1.02 -1.36 1.55 3.38 -0.80 -2.56 115.31 116.83 2qub h LEU 162 Ca 0.22 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2qub h LEU 162 Cb 0.24 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2qub h LEU 162 CO -0.24 1.03 -0.19 -0.07 0.09 0.00 0.00 178.44 179.05 2qub h LEU 163 N 0.98 0.18 -1.29 1.67 3.38 -0.92 0.27 115.31 119.57 2qub h LEU 163 Ca 0.19 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 2qub h LEU 163 Cb 0.45 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2qub h LEU 163 CO 0.01 0.39 -0.35 0.00 0.09 0.00 0.00 178.44 178.58 2qub h ALA 164 N 1.63 1.34 0.06 1.53 0.00 -0.89 -0.54 119.26 122.40 2qub h ALA 164 Ca 0.03 -0.32 -0.36 0.00 0.00 0.00 0.00 54.91 54.26 2qub h ALA 164 Cb 0.45 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2qub h ALA 164 CO 0.03 0.44 -2.14 0.41 0.00 0.00 0.00 179.25 177.99 2qub n GLY 165 N -0.42 -0.60 0.00 0.00 0.00 -0.81 -4.68 105.19 98.68 2qub n GLY 165 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2qub n GLY 165 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qub n PHE 166 N -3.29 0.00 -1.43 1.61 3.72 0.88 -4.60 117.46 114.34 2qub n PHE 166 Ca -0.34 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 2qub n PHE 166 Cb 1.04 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 2qub n PHE 166 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qub n GLY 167 N -0.21 1.48 3.76 1.37 0.00 -0.21 -4.97 105.19 106.41 2qub n GLY 167 Ca 0.00 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 2qub n GLY 167 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2qub s PRO 168 N 2.61 3.32 0.32 1.61 0.02 -1.26 -4.93 135.00 136.69 2qub s PRO 168 Ca 0.00 2.23 -0.29 0.00 0.02 0.00 0.00 61.00 62.95 2qub s PRO 168 Cb 0.00 -2.36 -0.11 0.00 0.02 0.00 0.00 34.50 32.05 2qub s PRO 168 CO 0.00 -1.04 1.58 1.17 -0.33 0.00 0.00 177.00 178.37 2qub n LYS 169 N -0.79 2.72 -0.07 5.54 4.81 -1.26 -2.29 118.16 126.82 2qub n LYS 169 Ca 0.09 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.49 2qub n LYS 169 Cb 0.45 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.76 2qub n LYS 169 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qub n GLY 170 N 1.72 0.69 0.06 3.14 0.00 -1.26 -4.98 105.19 104.55 2qub n GLY 170 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 2qub n GLY 170 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qub h TYR 171 N 0.00 0.01 -0.63 1.61 3.20 -1.79 -2.00 116.97 117.37 2qub h TYR 171 Ca 0.00 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 2qub h TYR 171 Cb 0.00 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 2qub h TYR 171 CO 0.00 0.01 0.39 0.00 -1.64 0.00 0.00 178.16 176.92 2qub h ALA 172 N 1.04 0.81 -0.17 1.82 0.00 -1.85 -1.99 119.26 118.93 2qub h ALA 172 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2qub h ALA 172 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2qub h ALA 172 CO -0.03 0.14 0.08 -0.44 0.00 0.00 0.00 179.25 179.00 2qub h ASP 173 N 0.77 0.20 1.03 0.00 3.32 -1.85 -2.62 116.42 117.27 2qub h ASP 173 Ca 0.25 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2qub h ASP 173 Cb 0.01 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2qub h ASP 173 CO -0.10 0.18 -0.26 0.61 -1.72 0.00 0.00 179.24 177.96 2qub n GLY 174 N -1.41 -1.50 0.32 2.75 0.00 -0.78 -4.49 105.19 100.08 2qub n GLY 174 Ca -0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2qub n GLY 174 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qub h TYR 175 N 0.00 -0.80 -0.27 1.61 5.03 -1.14 -1.52 116.97 119.89 2qub h TYR 175 Ca 0.00 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.22 2qub h TYR 175 Cb 0.64 0.35 -0.01 0.00 1.55 0.00 0.00 36.73 39.26 2qub h TYR 175 CO 0.00 -0.39 -0.30 1.15 -1.32 0.00 0.00 178.16 177.30 2qub h THR 176 N -0.45 1.28 -0.41 1.81 2.02 -1.80 -0.39 112.91 114.96 2qub h THR 176 Ca 0.06 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.84 2qub h THR 176 Cb 0.53 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 2qub h THR 176 CO -0.24 0.44 0.22 0.25 0.37 0.00 0.00 175.52 176.56 2qub h LEU 177 N 0.47 0.52 -0.42 2.58 5.85 -1.75 0.43 115.31 123.00 2qub h LEU 177 Ca 0.06 -0.10 -0.18 0.00 0.84 0.00 0.00 57.88 58.50 2qub h LEU 177 Cb 0.76 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2qub h LEU 177 CO 0.06 0.48 -0.75 0.11 -0.34 0.00 0.00 178.44 178.00 2qub h LYS 178 N 0.53 0.31 0.04 1.25 1.57 -1.11 -1.50 116.57 117.66 2qub h LYS 178 Ca 0.14 -0.27 -0.19 0.00 -1.87 0.00 0.00 60.65 58.46 2qub h LYS 178 Cb 0.08 0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.46 2qub h LYS 178 CO -0.02 0.93 -0.77 0.00 -0.57 0.00 0.00 179.45 179.01 2qub h ALA 179 N 1.00 0.04 0.00 3.86 0.00 -0.98 -3.18 119.26 120.00 2qub h ALA 179 Ca -0.03 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 2qub h ALA 179 Cb 1.32 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 19.04 2qub h ALA 179 CO 0.12 0.44 -0.65 1.19 0.00 0.00 0.00 179.25 180.35 2qub n PHE 180 N -4.10 0.00 -0.19 0.00 3.72 0.13 -0.46 117.46 116.56 2qub n PHE 180 Ca -0.11 -0.29 -0.01 0.00 -0.05 0.00 0.00 57.45 56.99 2qub n PHE 180 Cb 0.76 -0.10 0.10 0.00 -0.94 0.00 0.00 39.48 39.30 2qub n PHE 180 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2qub h GLY 181 N 0.38 0.78 0.91 1.37 0.00 -1.24 -0.97 103.07 104.30 2qub h GLY 181 Ca -0.08 -0.09 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 2qub h GLY 181 CO 0.03 -0.03 -0.34 3.43 0.00 0.00 0.00 176.54 179.63 2qub h ASN 182 N 0.36 0.66 -0.34 0.19 -0.26 -1.90 -2.73 115.58 111.55 2qub h ASN 182 Ca 0.29 -0.53 0.06 0.00 -0.56 0.00 0.00 56.30 55.57 2qub h ASN 182 Cb 0.37 -0.19 -0.06 0.00 -1.06 0.00 0.00 38.32 37.38 2qub h ASN 182 CO -0.31 1.06 -0.02 0.25 -1.06 0.00 0.00 177.43 177.35 2qub h LEU 183 N 0.28 -0.19 -1.52 1.61 5.85 -1.87 -1.94 115.31 117.53 2qub h LEU 183 Ca 0.02 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2qub h LEU 183 Cb 0.93 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2qub h LEU 183 CO 0.08 -0.06 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.03 2qub h LEU 184 N 0.07 0.26 -0.58 2.25 3.38 -1.17 0.10 115.31 119.62 2qub h LEU 184 Ca 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2qub h LEU 184 Cb 0.24 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2qub h LEU 184 CO -0.30 0.33 0.30 1.23 0.09 0.00 0.00 178.44 180.08 2qub h GLY 185 N 0.60 0.88 1.18 0.83 0.00 -1.05 -2.04 103.07 103.45 2qub h GLY 185 Ca 0.06 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 2qub h GLY 185 CO 0.01 0.40 -0.32 -0.55 0.00 0.00 0.00 176.54 176.08 2qub h ASP 186 N 0.78 0.96 -0.84 0.19 3.32 -0.58 -2.64 116.42 117.61 2qub h ASP 186 Ca 0.20 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 2qub h ASP 186 Cb 0.09 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 2qub h ASP 186 CO -0.03 1.19 0.45 0.58 -1.72 0.00 0.00 179.24 179.72 2qub h VAL 187 N 0.77 1.25 -0.71 -1.35 2.07 -0.94 -1.23 116.25 116.11 2qub h VAL 187 Ca 0.08 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 2qub h VAL 187 Cb 0.90 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2qub h VAL 187 CO 0.08 0.28 0.17 0.00 0.02 0.00 0.00 177.57 178.12 2qub h ALA 188 N 1.31 0.94 -0.47 1.67 0.00 -1.19 0.41 119.26 121.92 2qub h ALA 188 Ca 0.30 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2qub h ALA 188 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2qub h ALA 188 CO -0.05 0.67 -0.15 0.87 0.00 0.00 0.00 179.25 180.59 2qub h LYS 189 N 1.08 0.89 -0.08 0.00 1.57 -1.11 -1.14 116.57 117.78 2qub h LYS 189 Ca 0.22 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2qub h LYS 189 Cb 0.38 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2qub h LYS 189 CO 0.00 0.98 0.03 0.35 -0.57 0.00 0.00 179.45 180.25 2qub h PHE 190 N 0.79 0.13 -0.47 -1.35 3.57 -0.97 -1.53 116.94 117.11 2qub h PHE 190 Ca 0.12 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.69 2qub h PHE 190 Cb 0.68 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 2qub h PHE 190 CO 0.04 0.24 0.10 0.00 -2.23 0.00 0.00 178.31 176.45 2qub h ALA 191 N 0.88 0.52 -0.38 2.41 0.00 -0.75 -2.53 119.26 119.40 2qub h ALA 191 Ca 0.03 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2qub h ALA 191 Cb 0.16 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2qub h ALA 191 CO -0.00 -0.31 0.05 1.96 0.00 0.00 0.00 179.25 180.95 2qub h GLN 192 N 0.23 0.58 0.00 0.00 4.20 -1.01 -1.03 115.11 118.08 2qub h GLN 192 Ca 0.23 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2qub h GLN 192 Cb 0.30 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 2qub h GLN 192 CO -0.30 0.57 -0.03 0.00 -0.67 0.00 0.00 178.83 178.40 2qub h ALA 193 N 1.50 1.02 -0.48 3.87 0.00 -0.86 -2.29 119.26 122.02 2qub h ALA 193 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qub h ALA 193 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qub h ALA 193 CO 0.00 0.03 0.00 0.72 0.00 0.00 0.00 179.25 180.01 2qub n HIS 194 N -3.15 1.09 -1.17 0.00 8.25 -0.69 -4.96 115.22 114.59 2qub n HIS 194 Ca -0.00 -0.64 -0.06 0.00 -0.26 0.00 0.00 57.72 56.76 2qub n HIS 194 Cb 0.27 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 2qub n HIS 194 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qub n GLY 195 N 0.59 0.82 3.92 -1.41 0.00 -0.86 -4.93 105.19 103.31 2qub n GLY 195 Ca 0.21 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 2qub n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qub s LEU 196 N -1.31 4.03 0.52 0.99 1.43 -0.48 -5.01 118.68 118.85 2qub s LEU 196 Ca 0.00 0.62 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 2qub s LEU 196 Cb 0.00 -3.45 -0.00 0.00 0.03 0.00 0.00 46.19 42.76 2qub s LEU 196 CO 0.00 -0.24 0.02 -0.94 0.23 0.00 0.00 176.35 175.42 2qub s SER 197 N -3.49 4.03 0.41 2.29 1.04 -1.26 -4.06 113.70 112.66 2qub s SER 197 Ca 0.42 -1.71 0.14 0.00 0.48 0.00 0.00 55.95 55.28 2qub s SER 197 Cb -0.10 0.67 0.99 0.00 0.10 0.00 0.00 66.02 67.68 2qub s SER 197 CO 0.33 -0.93 1.92 1.23 0.98 0.00 0.00 173.24 176.77 2qub h GLY 198 N 1.33 0.79 1.98 7.32 0.00 -1.91 -0.71 103.07 111.87 2qub h GLY 198 Ca -0.43 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2qub h GLY 198 CO 0.71 0.08 0.00 1.18 0.00 0.00 0.00 176.54 178.51 2qub n GLU 199 N -4.49 0.01 -0.35 4.80 1.02 -1.25 -1.77 120.64 118.61 2qub n GLU 199 Ca 0.14 0.26 0.07 0.00 -0.02 0.00 0.00 57.16 57.61 2qub n GLU 199 Cb 0.49 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.64 2qub n GLU 199 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2qub n ASP 200 N -1.49 3.06 -4.33 1.62 8.00 -0.27 -4.79 116.55 118.35 2qub n ASP 200 Ca 0.03 -2.17 -0.33 0.00 0.71 0.00 0.00 54.79 53.04 2qub n ASP 200 Cb 0.16 -0.41 -0.15 0.00 -0.02 0.00 0.00 41.12 40.69 2qub n ASP 200 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qub s VAL 201 N -1.57 2.72 -0.16 2.53 1.01 -0.73 -1.69 120.40 122.51 2qub s VAL 201 Ca 0.34 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 2qub s VAL 201 Cb 0.20 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2qub s VAL 201 CO 0.19 0.54 -0.03 0.54 0.00 0.00 0.00 175.10 176.34 2qub s VAL 202 N 0.21 3.88 -0.16 2.92 0.11 -0.26 -1.26 120.40 125.85 2qub s VAL 202 Ca -0.11 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 2qub s VAL 202 Cb -0.16 -2.71 -0.00 0.00 -1.53 0.00 0.00 36.38 31.98 2qub s VAL 202 CO 0.06 0.49 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.48 2qub s VAL 203 N 0.45 2.71 0.30 2.04 1.01 0.26 -1.13 120.40 126.03 2qub s VAL 203 Ca -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2qub s VAL 203 Cb -0.14 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2qub s VAL 203 CO 0.03 0.51 0.35 -0.24 0.00 0.00 0.00 175.10 175.75 2qub n SER 204 N 4.05 -0.94 0.00 3.32 2.88 -0.38 -1.20 113.62 121.34 2qub n SER 204 Ca -0.19 -2.76 0.00 0.00 -1.33 0.00 0.00 58.87 54.59 2qub n SER 204 Cb 0.52 1.89 0.00 0.00 -0.75 0.00 0.00 64.21 65.87 2qub n SER 204 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qub n GLY 205 N -0.52 3.62 3.22 0.46 0.00 -1.25 -1.61 105.19 109.11 2qub n GLY 205 Ca 0.03 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 2qub n GLY 205 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qub s HIS 206 N -2.00 2.05 0.00 1.61 2.46 -1.25 -1.09 115.29 117.07 2qub s HIS 206 Ca 0.00 -0.53 0.00 0.00 0.47 0.00 0.00 55.06 55.00 2qub s HIS 206 Cb 0.00 -1.35 0.00 0.00 -0.13 0.00 0.00 32.58 31.10 2qub s HIS 206 CO 0.00 -0.14 0.00 0.45 -2.47 0.00 0.00 174.74 172.58 2qub n SER 207 N 2.86 0.00 0.10 9.88 2.88 0.03 -0.63 113.62 128.73 2qub n SER 207 Ca -0.17 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.54 2qub n SER 207 Cb 0.52 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.70 2qub n SER 207 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2qub h LEU 208 N 0.00 0.00 -0.78 2.46 5.85 -1.86 0.90 115.31 121.88 2qub h LEU 208 Ca 0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2qub h LEU 208 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2qub h LEU 208 CO 0.00 0.00 -0.48 1.23 -0.34 0.00 0.00 178.44 178.85 2qub h GLY 209 N 0.00 0.33 1.28 3.75 0.00 -0.89 -1.70 103.07 105.84 2qub h GLY 209 Ca 0.17 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 2qub h GLY 209 CO -0.00 0.32 -0.38 -1.33 0.00 0.00 0.00 176.54 175.14 2qub h GLY 210 N 1.27 0.86 0.47 4.60 0.00 -0.86 -2.03 103.07 107.38 2qub h GLY 210 Ca 0.01 -0.87 0.08 0.00 0.00 0.00 0.00 47.33 46.56 2qub h GLY 210 CO 0.08 0.78 0.23 -2.00 0.00 0.00 0.00 176.54 175.63 2qub h LEU 211 N 0.65 0.24 -1.46 3.11 6.46 -0.81 -2.26 115.31 121.24 2qub h LEU 211 Ca 0.06 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 2qub h LEU 211 Cb 0.94 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 2qub h LEU 211 CO 0.09 0.16 0.03 0.00 -0.62 0.00 0.00 178.44 178.09 2qub h ALA 212 N 1.38 1.57 -0.12 1.25 0.00 -0.99 0.12 119.26 122.48 2qub h ALA 212 Ca 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2qub h ALA 212 Cb 0.31 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2qub h ALA 212 CO -0.27 0.32 0.02 0.28 0.00 0.00 0.00 179.25 179.60 2qub h VAL 213 N 0.37 1.21 -0.35 0.00 2.07 -0.95 -0.23 116.25 118.37 2qub h VAL 213 Ca 0.09 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 2qub h VAL 213 Cb 0.21 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2qub h VAL 213 CO 0.00 0.19 -0.06 0.78 0.02 0.00 0.00 177.57 178.51 2qub h ASN 214 N -0.03 0.55 0.11 0.57 2.35 -0.89 -2.11 115.58 116.14 2qub h ASN 214 Ca 0.04 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2qub h ASN 214 Cb 0.28 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2qub h ASN 214 CO 0.00 0.66 -0.05 -1.28 -1.65 0.00 0.00 177.43 175.11 2qub h SER 215 N 0.54 -0.12 -0.54 5.81 0.87 -0.65 -1.27 113.55 118.18 2qub h SER 215 Ca 0.11 -0.18 0.08 0.00 -1.23 0.00 0.00 61.79 60.57 2qub h SER 215 Cb 0.44 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.36 2qub h SER 215 CO 0.02 0.11 0.18 -0.03 -0.53 0.00 0.00 176.83 176.59 2qub h MET 216 N -0.36 0.34 -0.84 2.24 1.85 -0.88 -2.18 114.93 115.11 2qub h MET 216 Ca -0.01 -0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.03 2qub h MET 216 Cb 0.30 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.21 2qub h MET 216 CO 0.02 0.23 0.41 0.00 -0.40 0.00 0.00 176.91 177.18 2qub h ALA 217 N 1.38 1.08 0.00 0.39 0.00 -1.29 -1.42 119.26 119.39 2qub h ALA 217 Ca 0.27 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qub h ALA 217 Cb 0.32 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qub h ALA 217 CO -0.29 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.58 2qub h ALA 218 N 1.22 1.70 -0.01 0.00 0.00 -0.64 -2.28 119.26 119.25 2qub h ALA 218 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2qub h ALA 218 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qub h ALA 218 CO -0.04 0.02 -0.46 1.04 0.00 0.00 0.00 179.25 179.82 2qub n GLN 219 N -4.12 1.18 0.23 0.00 1.13 -0.73 -4.68 117.38 110.39 2qub n GLN 219 Ca -0.03 -0.96 0.12 0.00 -1.94 0.00 0.00 57.00 54.19 2qub n GLN 219 Cb 0.10 -1.48 0.32 0.00 0.11 0.00 0.00 30.24 29.30 2qub n GLN 219 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2qub h SER 220 N 2.34 0.00 0.06 1.08 4.64 -0.67 -1.71 113.55 119.29 2qub h SER 220 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 2qub h SER 220 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2qub h SER 220 CO 0.00 0.08 -0.70 0.44 -0.87 0.00 0.00 176.83 175.77 2qub h ASP 221 N 0.00 0.68 0.10 4.97 3.32 -1.83 -3.28 116.42 120.37 2qub h ASP 221 Ca -0.00 -0.43 -0.24 0.00 0.02 0.00 0.00 57.03 56.38 2qub h ASP 221 Cb 0.89 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 2qub h ASP 221 CO 0.01 1.19 -2.14 0.00 -1.72 0.00 0.00 179.24 176.57 2qub n ALA 222 N -2.55 1.92 -2.61 3.45 0.00 -1.17 -4.30 120.51 115.25 2qub n ALA 222 Ca -0.05 -1.00 -0.20 0.00 0.00 0.00 0.00 53.44 52.19 2qub n ALA 222 Cb 0.70 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 2qub n ALA 222 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qub s ASN 223 N -5.27 5.77 -1.42 0.00 0.01 -0.65 -4.55 114.94 108.82 2qub s ASN 223 Ca -0.08 -0.25 -0.07 0.00 -0.71 0.00 0.00 52.86 51.75 2qub s ASN 223 Cb 0.09 -1.28 0.04 0.00 0.41 0.00 0.00 41.25 40.51 2qub s ASN 223 CO 0.85 -0.30 0.56 0.79 -1.51 0.00 0.00 177.10 177.49 2qub n TRP 224 N -1.46 -1.90 -1.63 2.20 8.01 -1.26 -1.47 117.44 119.92 2qub n TRP 224 Ca -0.03 0.51 -0.19 0.00 -1.31 0.00 0.00 57.50 56.48 2qub n TRP 224 Cb 0.58 -3.78 -0.07 0.00 -2.01 0.00 0.00 31.31 26.03 2qub n TRP 224 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qub n GLY 225 N -1.37 1.60 2.29 6.99 0.00 -1.26 -1.62 105.19 111.82 2qub n GLY 225 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2qub n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qub n GLY 226 N -0.70 0.36 0.30 -0.02 0.00 -0.54 -4.93 105.19 99.65 2qub n GLY 226 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.87 2qub n GLY 226 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qub h PHE 227 N 0.00 0.74 -0.51 1.61 3.57 -1.47 -2.29 116.94 118.58 2qub h PHE 227 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2qub h PHE 227 Cb 0.28 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2qub h PHE 227 CO 0.18 0.23 0.00 0.66 -2.23 0.00 0.00 178.31 177.14 2qub n TYR 228 N -4.85 0.71 -0.26 0.41 4.01 -1.26 -3.58 117.16 112.34 2qub n TYR 228 Ca 0.15 -0.35 0.05 0.00 -0.16 0.00 0.00 57.90 57.59 2qub n TYR 228 Cb 0.36 -0.01 0.28 0.00 -0.31 0.00 0.00 39.34 39.65 2qub n TYR 228 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qub h ALA 229 N 3.93 1.57 -0.46 -0.72 0.00 -1.47 -2.10 119.26 120.01 2qub h ALA 229 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2qub h ALA 229 Cb 0.71 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2qub h ALA 229 CO 0.01 0.30 0.07 1.04 0.00 0.00 0.00 179.25 180.67 2qub n GLN 230 N -4.49 3.20 -1.22 0.00 1.13 -1.26 -4.92 117.38 109.82 2qub n GLN 230 Ca 0.13 -3.01 -0.29 0.00 -1.94 0.00 0.00 57.00 51.88 2qub n GLN 230 Cb 0.21 -2.00 0.15 0.00 0.11 0.00 0.00 30.24 28.70 2qub n GLN 230 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2qub s SER 231 N -1.64 3.24 -0.46 1.08 0.01 -0.79 -3.79 113.70 111.35 2qub s SER 231 Ca 0.48 1.36 -0.16 0.00 1.31 0.00 0.00 55.95 58.94 2qub s SER 231 Cb 0.39 -2.04 0.05 0.00 0.21 0.00 0.00 66.02 64.63 2qub s SER 231 CO 0.10 -2.77 0.41 0.20 0.41 0.00 0.00 173.24 171.58 2qub s ASN 232 N -3.47 6.15 -0.36 2.44 0.01 -0.39 -4.98 114.94 114.35 2qub s ASN 232 Ca 0.64 -1.10 -0.11 0.00 -0.71 0.00 0.00 52.86 51.57 2qub s ASN 232 Cb -0.18 -2.20 0.01 0.00 0.41 0.00 0.00 41.25 39.30 2qub s ASN 232 CO 0.57 -0.63 0.21 -0.31 -1.51 0.00 0.00 177.10 175.43 2qub s TYR 233 N 1.83 3.23 -0.27 2.20 2.02 -1.24 -0.58 117.35 124.54 2qub s TYR 233 Ca 0.07 -0.75 0.02 0.00 -0.37 0.00 0.00 57.07 56.04 2qub s TYR 233 Cb -0.22 -2.44 0.07 0.00 -0.40 0.00 0.00 41.96 38.97 2qub s TYR 233 CO 0.09 -0.57 -0.04 0.08 -1.57 0.00 0.00 175.55 173.54 2qub s VAL 234 N 1.60 1.94 -0.16 0.71 1.01 -0.34 -2.03 120.40 123.12 2qub s VAL 234 Ca 0.03 -1.67 -0.05 0.00 0.00 0.00 0.00 61.98 60.30 2qub s VAL 234 Cb -0.18 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2qub s VAL 234 CO 0.07 -0.22 0.01 0.00 0.00 0.00 0.00 175.10 174.96 2qub s ALA 235 N 1.17 3.19 -0.16 5.51 0.00 -0.50 -3.87 121.76 127.11 2qub s ALA 235 Ca -0.02 -0.78 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 2qub s ALA 235 Cb -0.19 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 2qub s ALA 235 CO -0.07 0.24 0.04 -0.06 0.00 0.00 0.00 175.76 175.91 2qub s PHE 236 N 0.24 3.23 -1.43 0.00 0.40 -0.25 -0.88 117.98 119.28 2qub s PHE 236 Ca 0.00 0.07 -0.09 0.00 -0.60 0.00 0.00 56.93 56.31 2qub s PHE 236 Cb -0.13 -2.01 0.06 0.00 0.51 0.00 0.00 43.02 41.45 2qub s PHE 236 CO 0.02 0.21 0.68 0.00 0.70 0.00 0.00 175.22 176.83 2qub n ALA 237 N 3.21 -1.11 -2.03 5.36 0.00 -0.32 -0.79 120.51 124.83 2qub n ALA 237 Ca -0.17 0.18 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 2qub n ALA 237 Cb 0.53 -3.63 -0.04 0.00 0.00 0.00 0.00 19.45 16.31 2qub n ALA 237 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qub s SER 238 N -2.89 7.32 0.51 0.00 0.15 -1.26 -3.41 113.70 114.12 2qub s SER 238 Ca 0.46 2.06 0.30 0.00 0.70 0.00 0.00 55.95 59.47 2qub s SER 238 Cb -0.23 -2.61 1.17 0.00 -1.71 0.00 0.00 66.02 62.65 2qub s SER 238 CO 0.56 -0.16 1.92 1.55 1.20 0.00 0.00 173.24 178.30 2qub h PRO 239 N 4.94 0.00 -6.17 5.44 0.13 -1.78 0.05 132.00 134.61 2qub h PRO 239 Ca -0.44 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.12 2qub h PRO 239 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 2qub h PRO 239 CO 0.71 0.08 -0.65 0.95 -0.23 0.00 0.00 178.00 178.86 2qub s THR 240 N -3.66 3.12 -0.04 1.56 -4.23 -1.26 -0.44 115.64 110.69 2qub s THR 240 Ca 0.01 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 2qub s THR 240 Cb 0.09 -2.75 0.02 0.00 1.34 0.00 0.00 72.50 71.19 2qub s THR 240 CO 0.58 -0.34 -0.07 -1.10 -0.54 0.00 0.00 174.62 173.15 2qub s GLN 241 N -3.67 1.05 -0.26 3.99 1.11 -0.60 -4.88 119.66 116.41 2qub s GLN 241 Ca 0.32 -0.22 -0.05 0.00 0.01 0.00 0.00 55.36 55.41 2qub s GLN 241 Cb -0.05 -0.97 -0.00 0.00 -1.01 0.00 0.00 33.01 30.98 2qub s GLN 241 CO 0.19 -0.01 0.02 -0.47 0.01 0.00 0.00 175.29 175.04 2qub s TYR 242 N 0.66 3.06 -0.03 0.91 5.04 -1.26 -4.50 117.35 121.24 2qub s TYR 242 Ca -0.10 -0.89 0.01 0.00 -2.44 0.00 0.00 57.07 53.64 2qub s TYR 242 Cb -0.13 -2.18 -0.00 0.00 0.35 0.00 0.00 41.96 39.99 2qub s TYR 242 CO 0.01 -0.53 0.09 0.39 -1.34 0.00 0.00 175.55 174.17 2qub n GLU 243 N 4.84 5.72 -2.32 4.97 1.02 -1.26 -4.39 120.64 129.22 2qub n GLU 243 Ca -0.16 -0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.48 2qub n GLU 243 Cb 0.50 -0.59 -0.03 0.00 -0.02 0.00 0.00 31.44 31.30 2qub n GLU 243 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qub s ALA 244 N -0.91 3.57 0.00 0.62 0.00 -1.26 -2.52 121.76 121.25 2qub s ALA 244 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2qub s ALA 244 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2qub s ALA 244 CO 0.02 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.26 2qub n GLY 245 N 3.57 0.86 3.09 0.00 0.00 -1.26 -4.43 105.19 107.03 2qub n GLY 245 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2qub n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qub n GLY 246 N -2.00 -0.45 0.12 -0.02 0.00 -1.05 -4.93 105.19 96.85 2qub n GLY 246 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2qub n GLY 246 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qub h LYS 247 N -1.67 0.00 -6.03 1.61 1.57 -1.82 -3.46 116.57 106.77 2qub h LYS 247 Ca -0.51 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.61 2qub h LYS 247 Cb 1.35 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.35 2qub h LYS 247 CO 0.54 0.52 -0.87 0.08 -0.57 0.00 0.00 179.45 179.14 2qub s VAL 248 N -2.91 1.89 -0.20 0.50 1.01 -1.26 -3.69 120.40 115.73 2qub s VAL 248 Ca 0.02 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 2qub s VAL 248 Cb 0.08 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2qub s VAL 248 CO 0.77 0.53 0.05 -0.51 0.00 0.00 0.00 175.10 175.95 2qub s ILE 249 N -0.28 4.51 -0.42 2.22 2.07 -0.86 -4.81 121.20 123.63 2qub s ILE 249 Ca 0.01 -0.12 -0.11 0.00 -1.41 0.00 0.00 60.65 59.01 2qub s ILE 249 Cb -0.12 -3.06 0.06 0.00 0.13 0.00 0.00 42.46 39.48 2qub s ILE 249 CO 0.02 0.42 0.29 0.20 -1.91 0.00 0.00 174.94 173.95 2qub s ASN 250 N 0.84 5.81 -0.15 4.50 0.01 -0.05 -1.41 114.94 124.50 2qub s ASN 250 Ca 0.03 -1.33 -0.04 0.00 -0.71 0.00 0.00 52.86 50.82 2qub s ASN 250 Cb -0.14 -2.05 -0.03 0.00 0.41 0.00 0.00 41.25 39.44 2qub s ASN 250 CO 0.02 -0.53 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.43 2qub s ILE 251 N 1.52 4.02 0.04 0.60 1.01 -0.06 -1.53 121.20 126.80 2qub s ILE 251 Ca 0.03 -0.32 -0.28 0.00 0.00 0.00 0.00 60.65 60.08 2qub s ILE 251 Cb -0.22 -2.75 0.10 0.00 0.01 0.00 0.00 42.46 39.59 2qub s ILE 251 CO 0.05 0.51 1.21 -0.83 0.00 0.00 0.00 174.94 175.87 2qub s GLY 252 N 0.17 -0.22 -0.01 6.18 0.00 -1.26 -1.18 107.32 111.00 2qub s GLY 252 Ca -0.01 0.26 -0.16 0.00 0.00 0.00 0.00 44.72 44.81 2qub s GLY 252 CO 0.02 2.09 0.44 -0.19 0.00 0.00 0.00 173.10 175.46 2qub s TYR 253 N -2.37 3.70 0.34 1.90 2.02 -1.26 -4.50 117.35 117.19 2qub s TYR 253 Ca 0.20 1.02 0.18 0.00 -0.37 0.00 0.00 57.07 58.09 2qub s TYR 253 Cb 0.01 -2.36 0.92 0.00 -0.40 0.00 0.00 41.96 40.13 2qub s TYR 253 CO -0.01 0.56 1.88 1.05 -1.57 0.00 0.00 175.55 177.46 2qub h GLU 254 N 5.02 0.00 -0.37 -0.62 4.11 -0.40 -1.76 114.58 120.56 2qub h GLU 254 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2qub h GLU 254 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2qub h GLU 254 CO 0.64 0.30 0.00 0.27 0.07 0.00 0.00 179.01 180.29 2qub n ASN 255 N -3.86 1.90 -4.56 3.06 6.94 -1.26 -4.75 115.26 112.73 2qub n ASN 255 Ca -0.02 -2.03 -0.43 0.00 -0.02 0.00 0.00 54.58 52.09 2qub n ASN 255 Cb 0.38 -0.25 -0.05 0.00 -2.36 0.00 0.00 39.78 37.49 2qub n ASN 255 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2qub s ASP 256 N -0.96 6.47 0.55 0.53 -1.08 -0.66 -4.77 116.67 116.76 2qub s ASP 256 Ca 0.23 0.10 0.33 0.00 -0.52 0.00 0.00 52.55 52.69 2qub s ASP 256 Cb 0.12 -2.39 1.54 0.00 -1.46 0.00 0.00 42.92 40.73 2qub s ASP 256 CO 0.15 -0.83 2.06 1.55 0.52 0.00 0.00 175.17 178.62 2qub h PRO 257 N 8.76 0.00 -0.05 4.34 0.13 -1.85 -2.21 132.00 141.12 2qub h PRO 257 Ca -0.25 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.71 2qub h PRO 257 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2qub h PRO 257 CO 0.94 0.07 -0.71 0.28 -0.23 0.00 0.00 178.00 178.34 2qub h VAL 258 N 0.00 1.42 -2.64 1.56 2.07 -1.92 -3.40 116.25 113.34 2qub h VAL 258 Ca -0.00 -2.21 -0.55 0.00 0.82 0.00 0.00 66.70 64.76 2qub h VAL 258 Cb 0.40 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 2qub h VAL 258 CO 0.01 0.65 1.10 0.12 0.02 0.00 0.00 177.57 179.47 2qub s PHE 259 N -3.56 2.02 -1.41 1.57 5.36 -0.83 -2.09 117.98 119.03 2qub s PHE 259 Ca -0.04 0.30 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 2qub s PHE 259 Cb 0.11 -3.91 0.00 0.00 -0.34 0.00 0.00 43.02 38.88 2qub s PHE 259 CO 0.81 -3.60 0.00 0.54 -1.46 0.00 0.00 175.22 171.51 2qub n ARG 260 N 7.24 -1.09 -0.17 10.12 1.74 0.00 -4.91 116.66 129.59 2qub n ARG 260 Ca 0.18 0.87 0.04 0.00 -0.77 0.00 0.00 57.85 58.17 2qub n ARG 260 Cb 0.43 -5.08 0.33 0.00 -1.02 0.00 0.00 32.46 27.12 2qub n ARG 260 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qub h ALA 261 N 0.32 1.63 -2.75 7.54 0.00 -1.30 -3.42 119.26 121.27 2qub h ALA 261 Ca -0.32 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 53.97 2qub h ALA 261 Cb 1.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2qub h ALA 261 CO 0.43 0.29 -0.48 -0.51 0.00 0.00 0.00 179.25 178.97 2qub s LEU 262 N -9.73 4.35 -0.69 0.00 1.43 0.42 -4.05 118.68 110.40 2qub s LEU 262 Ca -0.10 0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.07 2qub s LEU 262 Cb 0.19 -2.94 0.17 0.00 0.03 0.00 0.00 46.19 43.63 2qub s LEU 262 CO 0.77 0.12 0.67 -0.62 0.23 0.00 0.00 176.35 177.52 2qub s ASP 263 N -2.83 6.47 0.63 2.29 2.15 0.07 -4.65 116.67 120.81 2qub s ASP 263 Ca 0.35 -2.18 0.00 0.00 0.43 0.00 0.00 52.55 51.15 2qub s ASP 263 Cb -0.12 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 2qub s ASP 263 CO 0.28 -0.76 0.00 0.61 -0.17 0.00 0.00 175.17 175.13 2qub n GLY 264 N 4.68 1.70 0.00 2.66 0.00 -1.26 -1.85 105.19 111.12 2qub n GLY 264 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2qub n GLY 264 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qub n THR 265 N 0.00 0.87 -3.55 2.61 -2.24 -1.26 -1.56 114.28 109.15 2qub n THR 265 Ca 0.00 -0.89 -0.38 0.00 -2.27 0.00 0.00 64.05 60.51 2qub n THR 265 Cb 0.00 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 2qub n THR 265 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2qub s SER 266 N -0.87 6.70 -0.06 3.42 0.01 -0.77 -4.94 113.70 117.20 2qub s SER 266 Ca 0.00 0.84 -0.28 0.00 1.31 0.00 0.00 55.95 57.82 2qub s SER 266 Cb 0.00 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 2qub s SER 266 CO 0.00 0.29 0.90 -0.22 0.41 0.00 0.00 173.24 174.62 2qub s LEU 267 N -0.80 4.31 0.34 2.44 2.96 -1.26 -0.75 118.68 125.92 2qub s LEU 267 Ca 0.22 1.46 0.05 0.00 -0.22 0.00 0.00 54.13 55.63 2qub s LEU 267 Cb -0.16 -3.40 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 2qub s LEU 267 CO 0.11 -0.27 0.19 0.42 -1.32 0.00 0.00 176.35 175.48 2qub s THR 268 N 1.27 0.26 0.17 3.68 -4.23 -1.26 -4.99 115.64 110.54 2qub s THR 268 Ca 0.46 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.83 2qub s THR 268 Cb -0.19 -2.46 0.07 0.00 1.34 0.00 0.00 72.50 71.25 2qub s THR 268 CO 0.22 0.00 1.76 0.25 -0.54 0.00 0.00 174.62 176.31 2qub h LEU 269 N 2.09 0.25 -2.77 4.79 5.85 -1.98 -1.03 115.31 122.52 2qub h LEU 269 Ca -0.31 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2qub h LEU 269 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2qub h LEU 269 CO 0.47 0.18 0.00 -0.65 -0.34 0.00 0.00 178.44 178.10 2qub h PRO 270 N 0.39 0.00 -0.81 5.25 0.11 -1.94 -3.03 132.00 131.97 2qub h PRO 270 Ca 0.21 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.50 2qub h PRO 270 Cb 0.17 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.23 2qub h PRO 270 CO -0.19 0.00 0.54 0.77 -0.21 0.00 0.00 178.00 178.92 2qub h SER 271 N 0.00 0.35 -0.24 -2.05 0.02 -1.32 -1.38 113.55 108.93 2qub h SER 271 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2qub h SER 271 Cb 0.02 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2qub h SER 271 CO 0.00 0.16 0.00 0.18 -1.14 0.00 0.00 176.83 176.03 2qub n LEU 272 N -4.47 2.81 0.00 5.07 4.77 -1.15 -4.62 117.00 119.41 2qub n LEU 272 Ca 0.16 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 2qub n LEU 272 Cb 0.63 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2qub n LEU 272 CO 0.33 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 2qub n GLY 273 N 1.37 4.98 3.71 -0.72 0.00 -0.52 -4.34 105.19 109.67 2qub n GLY 273 Ca 0.18 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 2qub n GLY 273 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qub s VAL 274 N 3.28 4.89 -0.47 1.61 1.01 -1.25 -4.56 120.40 124.92 2qub s VAL 274 Ca 0.00 1.87 0.07 0.00 0.00 0.00 0.00 61.98 63.92 2qub s VAL 274 Cb 0.00 -4.23 0.24 0.00 0.00 0.00 0.00 36.38 32.38 2qub s VAL 274 CO 0.00 0.20 0.55 0.00 0.00 0.00 0.00 175.10 175.85 2qub n HIS 275 N 3.76 0.69 -0.68 5.22 1.44 -1.26 -4.70 115.22 119.69 2qub n HIS 275 Ca 0.03 -3.71 0.08 0.00 -2.01 0.00 0.00 57.72 52.11 2qub n HIS 275 Cb 0.51 -0.34 0.23 0.00 0.12 0.00 0.00 29.99 30.51 2qub n HIS 275 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2qub n ASP 276 N 1.48 3.64 -4.72 4.39 2.03 -1.26 -4.85 116.55 117.26 2qub n ASP 276 Ca 0.24 -2.62 -0.42 0.00 0.52 0.00 0.00 54.79 52.51 2qub n ASP 276 Cb 0.49 -0.44 -0.03 0.00 -0.72 0.00 0.00 41.12 40.42 2qub n ASP 276 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qub s ALA 277 N -2.12 3.75 0.26 -1.67 0.00 -1.26 -4.69 121.76 116.03 2qub s ALA 277 Ca 0.36 1.36 -0.29 0.00 0.00 0.00 0.00 51.96 53.39 2qub s ALA 277 Cb 0.26 -3.61 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 2qub s ALA 277 CO 0.12 -0.77 1.26 -1.25 0.00 0.00 0.00 175.76 175.12 2qub s PRO 278 N 0.84 4.43 -0.00 0.00 0.04 -1.26 -5.04 135.00 134.01 2qub s PRO 278 Ca 0.68 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2qub s PRO 278 Cb -0.43 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 2qub s PRO 278 CO 0.34 -0.13 0.05 -1.01 0.04 0.00 0.00 177.00 176.29 2qub s HIS 279 N -0.61 3.21 0.38 0.56 3.76 -1.26 -5.03 115.29 116.29 2qub s HIS 279 Ca 0.51 0.16 0.08 0.00 -0.15 0.00 0.00 55.06 55.66 2qub s HIS 279 Cb -0.37 -1.71 0.77 0.00 1.11 0.00 0.00 32.58 32.38 2qub s HIS 279 CO 0.44 0.52 1.94 1.79 -0.85 0.00 0.00 174.74 178.58 2qub h THR 280 N 3.35 1.16 -0.01 1.30 1.35 -2.02 -2.50 112.91 115.54 2qub h THR 280 Ca -0.49 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 2qub h THR 280 Cb 1.18 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2qub h THR 280 CO 0.60 0.21 -0.11 -1.54 -0.25 0.00 0.00 175.52 174.43 2qub n SER 281 N -4.33 0.92 -4.70 5.36 3.41 -1.26 -4.94 113.62 108.07 2qub n SER 281 Ca 0.01 -1.00 -0.29 0.00 -0.26 0.00 0.00 58.87 57.33 2qub n SER 281 Cb 0.21 0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.10 2qub n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qub s ALA 282 N -2.29 3.32 -0.61 7.33 0.00 -0.94 -0.87 121.76 127.70 2qub s ALA 282 Ca 0.32 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 50.82 2qub s ALA 282 Cb 0.20 -1.18 0.04 0.00 0.00 0.00 0.00 23.12 22.18 2qub s ALA 282 CO 0.44 0.61 1.12 0.95 0.00 0.00 0.00 175.76 178.88 2qub s THR 283 N -1.50 4.09 -1.58 0.00 -4.23 -0.58 -4.79 115.64 107.05 2qub s THR 283 Ca 0.27 0.53 0.26 0.00 -1.18 0.00 0.00 61.69 61.58 2qub s THR 283 Cb -0.11 -4.71 0.21 0.00 1.34 0.00 0.00 72.50 69.23 2qub s THR 283 CO 0.19 -1.39 1.53 0.59 -0.54 0.00 0.00 174.62 175.00 2qub n ASN 284 N 8.30 0.91 -1.82 3.99 3.02 -1.26 -4.43 115.26 123.97 2qub n ASN 284 Ca 0.05 -0.75 0.01 0.00 -0.03 0.00 0.00 54.58 53.86 2qub n ASN 284 Cb 0.48 0.16 0.05 0.00 -0.61 0.00 0.00 39.78 39.87 2qub n ASN 284 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qub n ASN 285 N -0.84 1.52 -4.66 6.41 3.02 -1.26 -4.71 115.26 114.73 2qub n ASN 285 Ca 0.11 -2.35 -0.38 0.00 -0.03 0.00 0.00 54.58 51.92 2qub n ASN 285 Cb 0.34 -0.38 -0.08 0.00 -0.61 0.00 0.00 39.78 39.05 2qub n ASN 285 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qub s ILE 286 N -1.82 5.20 -0.18 2.41 1.01 -1.26 -1.65 121.20 124.91 2qub s ILE 286 Ca 0.34 0.67 -0.07 0.00 0.00 0.00 0.00 60.65 61.58 2qub s ILE 286 Cb 0.37 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 2qub s ILE 286 CO -0.11 0.24 0.07 -0.69 0.00 0.00 0.00 174.94 174.45 2qub s VAL 287 N 1.44 4.83 -0.78 2.92 1.01 0.13 0.34 120.40 130.29 2qub s VAL 287 Ca 0.18 -0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.94 2qub s VAL 287 Cb -0.15 -3.17 0.11 0.00 0.00 0.00 0.00 36.38 33.17 2qub s VAL 287 CO 0.08 0.47 1.00 0.21 0.00 0.00 0.00 175.10 176.86 2qub s ASN 288 N 0.29 6.40 -1.09 3.32 3.84 -1.26 -1.06 114.94 125.38 2qub s ASN 288 Ca 0.04 -1.59 -0.19 0.00 0.21 0.00 0.00 52.86 51.33 2qub s ASN 288 Cb -0.12 -2.39 0.10 0.00 -0.55 0.00 0.00 41.25 38.29 2qub s ASN 288 CO 0.00 -1.20 1.42 0.12 -2.79 0.00 0.00 177.10 174.66 2qub s PHE 289 N 3.13 2.93 0.50 0.43 5.36 -0.29 -4.74 117.98 125.31 2qub s PHE 289 Ca 0.26 -1.40 0.02 0.00 -0.96 0.00 0.00 56.93 54.84 2qub s PHE 289 Cb -0.12 -4.53 0.02 0.00 -0.34 0.00 0.00 43.02 38.05 2qub s PHE 289 CO -0.00 -1.69 0.19 0.27 -1.46 0.00 0.00 175.22 172.53 2qub n ASN 290 N 7.55 3.02 -0.10 6.13 0.23 -1.26 -0.67 115.26 130.15 2qub n ASN 290 Ca 0.35 -2.97 0.06 0.00 -0.53 0.00 0.00 54.58 51.48 2qub n ASN 290 Cb 0.48 0.16 0.39 0.00 -2.08 0.00 0.00 39.78 38.73 2qub n ASN 290 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2qub h ASP 291 N 0.90 0.57 0.07 0.53 5.19 -1.92 -1.50 116.42 120.25 2qub h ASP 291 Ca -0.37 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.03 2qub h ASP 291 Cb 1.22 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.60 2qub h ASP 291 CO 0.60 0.39 -0.03 -0.74 -3.12 0.00 0.00 179.24 176.33 2qub h HIS 292 N 0.65 -0.08 -0.87 4.55 2.76 -1.95 -2.81 115.15 117.40 2qub h HIS 292 Ca 0.24 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.49 2qub h HIS 292 Cb 0.13 0.03 -0.06 0.00 1.55 0.00 0.00 27.41 29.06 2qub h HIS 292 CO -0.00 0.33 0.57 -0.92 -1.30 0.00 0.00 177.93 176.60 2qub h TYR 293 N -0.52 0.95 0.00 5.26 3.20 -1.77 -2.33 116.97 121.76 2qub h TYR 293 Ca -0.01 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2qub h TYR 293 Cb 0.45 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2qub h TYR 293 CO 0.07 0.46 -0.11 0.00 -1.64 0.00 0.00 178.16 176.93 2qub h ALA 294 N 1.55 0.97 -1.98 1.82 0.00 -1.24 -3.44 119.26 116.93 2qub h ALA 294 Ca 0.39 -0.10 -0.59 0.00 0.00 0.00 0.00 54.91 54.61 2qub h ALA 294 Cb 0.34 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 2qub h ALA 294 CO -0.16 0.14 0.66 0.45 0.00 0.00 0.00 179.25 180.34 2qub s SER 295 N -6.06 6.67 0.23 0.00 0.15 -0.88 -4.93 113.70 108.89 2qub s SER 295 Ca 0.03 0.55 -0.06 0.00 0.70 0.00 0.00 55.95 57.17 2qub s SER 295 Cb 0.08 -2.48 0.32 0.00 -1.71 0.00 0.00 66.02 62.23 2qub s SER 295 CO 0.63 -0.93 1.83 0.44 1.20 0.00 0.00 173.24 176.40 2qub h ASP 296 N 8.61 0.70 -0.41 5.45 3.32 -1.86 -2.76 116.42 129.45 2qub h ASP 296 Ca -0.23 0.03 0.01 0.00 0.02 0.00 0.00 57.03 56.86 2qub h ASP 296 Cb 1.07 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 2qub h ASP 296 CO 1.01 0.43 0.26 0.00 -1.72 0.00 0.00 179.24 179.22 2qub h ALA 297 N 1.40 0.52 -0.27 3.45 0.00 -1.95 -2.30 119.26 120.11 2qub h ALA 297 Ca 0.36 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 2qub h ALA 297 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2qub h ALA 297 CO -0.20 -0.05 -0.04 -1.49 0.00 0.00 0.00 179.25 177.47 2qub h TRP 298 N 0.53 0.43 -0.23 0.00 4.06 -1.86 -2.91 115.95 115.97 2qub h TRP 298 Ca 0.16 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.06 2qub h TRP 298 Cb -0.03 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 28.00 2qub h TRP 298 CO -0.06 0.47 0.00 0.09 -3.56 0.00 0.00 178.44 175.38 2qub n ASN 299 N -4.28 1.26 0.21 -3.49 3.02 -0.89 -2.60 115.26 108.49 2qub n ASN 299 Ca 0.01 -2.01 0.15 0.00 -0.03 0.00 0.00 54.58 52.70 2qub n ASN 299 Cb 0.25 -0.16 0.57 0.00 -0.61 0.00 0.00 39.78 39.82 2qub n ASN 299 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2qub h LEU 300 N 1.34 0.00-10.01 3.41 3.38 -1.28 -3.44 115.31 108.70 2qub h LEU 300 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 2qub h LEU 300 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2qub h LEU 300 CO 0.00 0.00 -0.00 -0.76 0.09 0.00 0.00 178.44 177.77 2qub s LEU 301 N -5.52 4.09 0.26 1.67 1.43 -1.07 -5.04 118.68 114.50 2qub s LEU 301 Ca 0.03 1.09 -0.30 0.00 -1.03 0.00 0.00 54.13 53.92 2qub s LEU 301 Cb 0.09 -3.88 -0.10 0.00 0.03 0.00 0.00 46.19 42.33 2qub s LEU 301 CO 0.50 -0.16 1.35 -2.84 0.23 0.00 0.00 176.35 175.43 2qub s PRO 302 N -3.00 4.34 -0.12 1.29 0.02 -1.26 -4.96 135.00 131.30 2qub s PRO 302 Ca 0.51 2.19 -0.29 0.00 0.02 0.00 0.00 61.00 63.42 2qub s PRO 302 Cb -0.11 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.26 2qub s PRO 302 CO 0.21 -0.28 1.45 0.12 -0.33 0.00 0.00 177.00 178.17 2qub s PHE 303 N -0.37 2.42 -0.27 6.54 5.36 -1.26 -4.80 117.98 125.59 2qub s PHE 303 Ca 0.55 0.62 -0.25 0.00 -0.96 0.00 0.00 56.93 56.89 2qub s PHE 303 Cb -0.39 -3.72 0.12 0.00 -0.34 0.00 0.00 43.02 38.68 2qub s PHE 303 CO 0.45 -2.71 0.99 0.45 -1.46 0.00 0.00 175.22 172.93 2qub s SER 304 N 2.71 -0.48 0.37 6.13 0.15 -1.26 -3.97 113.70 117.34 2qub s SER 304 Ca 0.64 0.92 0.21 0.00 0.70 0.00 0.00 55.95 58.42 2qub s SER 304 Cb -0.27 0.93 1.17 0.00 -1.71 0.00 0.00 66.02 66.14 2qub s SER 304 CO 0.22 -0.17 1.63 -0.29 1.20 0.00 0.00 173.24 175.82 2qub h ILE 305 N 3.60 0.00 -0.02 6.45 2.10 -1.82 0.06 117.51 127.89 2qub h ILE 305 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.66 2qub h ILE 305 Cb 1.17 0.48 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 2qub h ILE 305 CO 0.11 0.00 -0.08 0.18 -1.08 0.00 0.00 178.15 177.28 2qub n LEU 306 N -2.30 1.64 -4.24 2.19 4.77 -1.26 -4.73 117.00 113.07 2qub n LEU 306 Ca -0.01 -0.53 -0.41 0.00 -0.03 0.00 0.00 56.01 55.03 2qub n LEU 306 Cb 0.14 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 2qub n LEU 306 CO 0.10 0.28 -0.06 0.21 -1.33 0.00 0.00 177.39 176.59 2qub s ASN 307 N -2.14 5.69 0.23 -1.43 2.47 0.01 -5.01 114.94 114.76 2qub s ASN 307 Ca 0.33 -1.71 -0.07 0.00 0.42 0.00 0.00 52.86 51.82 2qub s ASN 307 Cb 0.20 -2.01 0.28 0.00 -1.45 0.00 0.00 41.25 38.27 2qub s ASN 307 CO 0.38 -0.62 1.85 0.40 -3.72 0.00 0.00 177.10 175.39 2qub h ILE 308 N 6.10 1.07 -0.90 -5.21 1.08 -1.85 -1.50 117.51 116.31 2qub h ILE 308 Ca -0.22 -0.33 0.26 0.00 -0.39 0.00 0.00 64.86 64.18 2qub h ILE 308 Cb 1.08 0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 2qub h ILE 308 CO 0.82 0.17 0.64 -0.65 -0.69 0.00 0.00 178.15 178.44 2qub h PRO 309 N 0.95 0.04 0.00 2.37 0.11 -1.94 0.15 132.00 133.68 2qub h PRO 309 Ca 0.34 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.45 2qub h PRO 309 Cb 0.09 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 2qub h PRO 309 CO -0.14 0.03 -0.01 1.79 -0.21 0.00 0.00 178.00 179.45 2qub h THR 310 N 0.04 0.04 0.00 -1.15 1.35 -1.57 -2.55 112.91 109.07 2qub h THR 310 Ca 0.43 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 2qub h THR 310 Cb 1.66 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 2qub h THR 310 CO -0.03 0.01 0.00 0.79 -0.25 0.00 0.00 175.52 176.04 2qub n TRP 311 N -3.12 0.59 -0.28 4.73 7.02 0.04 -3.05 117.44 123.37 2qub n TRP 311 Ca -0.01 0.25 0.10 0.00 -1.02 0.00 0.00 57.50 56.83 2qub n TRP 311 Cb 0.22 -0.91 0.25 0.00 -2.42 0.00 0.00 31.31 28.45 2qub n TRP 311 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2qub h LEU 312 N 0.00 0.03 -0.08 -0.99 5.85 -1.63 -0.24 115.31 118.27 2qub h LEU 312 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2qub h LEU 312 Cb 0.22 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2qub h LEU 312 CO 0.00 -0.10 0.00 -1.20 -0.34 0.00 0.00 178.44 176.80 2qub n SER 313 N -5.18 0.06 0.05 1.25 7.64 -1.17 -2.66 113.62 113.61 2qub n SER 313 Ca 0.19 0.52 0.12 0.00 1.01 0.00 0.00 58.87 60.70 2qub n SER 313 Cb 0.60 -0.53 0.05 0.00 -1.01 0.00 0.00 64.21 63.32 2qub n SER 313 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2qub n HIS 314 N -1.57 0.51 -1.77 1.43 -0.00 -0.10 -4.71 115.22 109.01 2qub n HIS 314 Ca 0.03 0.15 -0.41 0.00 -0.00 0.00 0.00 57.72 57.48 2qub n HIS 314 Cb 0.15 -0.63 -0.01 0.00 -0.00 0.00 0.00 29.99 29.50 2qub n HIS 314 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2qub n LEU 315 N -2.19 4.68 -0.21 0.27 4.77 -1.09 -4.89 117.00 118.34 2qub n LEU 315 Ca 0.02 1.19 0.12 0.00 -0.03 0.00 0.00 56.01 57.31 2qub n LEU 315 Cb 0.47 -1.62 0.42 0.00 -2.33 0.00 0.00 43.42 40.37 2qub n LEU 315 CO 0.39 0.20 1.21 -0.65 -1.33 0.00 0.00 177.39 177.22 2qub h PRO 316 N 3.81 0.58 -0.09 3.23 0.11 -1.94 -1.86 132.00 135.84 2qub h PRO 316 Ca -0.49 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 2qub h PRO 316 Cb 1.23 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2qub h PRO 316 CO 0.71 0.38 -0.18 0.27 -0.21 0.00 0.00 178.00 178.97 2qub h PHE 317 N 0.59 0.15 -0.19 0.65 -5.15 -1.92 -1.06 116.94 110.01 2qub h PHE 317 Ca 0.39 -0.02 -0.10 0.00 -0.20 0.00 0.00 57.97 58.04 2qub h PHE 317 Cb 0.69 -0.04 -0.01 0.00 0.22 0.00 0.00 35.95 36.80 2qub h PHE 317 CO -0.00 0.32 -0.32 0.74 -2.00 0.00 0.00 178.31 177.05 2qub h PHE 318 N 0.13 0.44 -0.03 6.09 0.04 -1.70 -1.61 116.94 120.31 2qub h PHE 318 Ca 0.03 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 2qub h PHE 318 Cb 0.40 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 2qub h PHE 318 CO 0.00 0.67 -0.01 1.88 -0.60 0.00 0.00 178.31 180.25 2qub h TYR 319 N 0.33 0.06 0.42 -0.55 -1.99 -1.28 -2.01 116.97 111.95 2qub h TYR 319 Ca 0.04 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 2qub h TYR 319 Cb 0.73 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.45 2qub h TYR 319 CO 0.02 0.42 -0.20 0.37 -0.00 0.00 0.00 178.16 178.77 2qub h GLN 320 N -0.31 -0.54 -0.00 4.88 -0.00 -1.18 -2.03 115.11 115.92 2qub h GLN 320 Ca 0.01 0.04 -0.11 0.00 -0.00 0.00 0.00 58.65 58.58 2qub h GLN 320 Cb 0.40 0.12 0.01 0.00 0.00 0.00 0.00 27.48 28.01 2qub h GLN 320 CO 0.00 -0.36 -0.44 0.22 0.00 0.00 0.00 178.83 178.25 2qub h ASP 321 N -0.57 0.40 -0.19 -0.69 3.58 -1.38 -2.86 116.42 114.70 2qub h ASP 321 Ca -0.06 -0.76 -0.03 0.00 0.42 0.00 0.00 57.03 56.60 2qub h ASP 321 Cb 0.43 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2qub h ASP 321 CO 0.09 1.11 -0.00 1.23 -2.88 0.00 0.00 179.24 178.79 2qub h GLY 322 N -0.28 0.37 2.00 -0.78 0.00 -1.47 -2.72 103.07 100.19 2qub h GLY 322 Ca -0.05 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 2qub h GLY 322 CO 0.09 0.25 -0.41 1.41 0.00 0.00 0.00 176.54 177.87 2qub h LEU 323 N 0.10 0.00 -0.71 3.11 3.38 -1.48 -2.27 115.31 117.44 2qub h LEU 323 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2qub h LEU 323 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2qub h LEU 323 CO 0.01 0.41 -0.40 0.24 0.09 0.00 0.00 178.44 178.80 2qub h MET 324 N 0.00 0.53 -0.30 1.13 2.86 -1.52 -0.88 114.93 116.75 2qub h MET 324 Ca -0.00 -0.26 -0.05 0.00 -2.06 0.00 0.00 59.70 57.32 2qub h MET 324 Cb 1.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.66 2qub h MET 324 CO 0.05 0.84 -0.04 0.00 1.06 0.00 0.00 176.91 178.82 2qub h ARG 325 N 0.44 0.47 0.04 1.72 3.08 -1.14 -0.76 114.38 118.23 2qub h ARG 325 Ca 0.04 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2qub h ARG 325 Cb 0.89 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2qub h ARG 325 CO 0.08 0.53 -0.02 0.28 -1.07 0.00 0.00 179.97 179.76 2qub h VAL 326 N 0.45 1.17 -0.88 2.04 2.07 -1.16 -2.34 116.25 117.60 2qub h VAL 326 Ca 0.09 -0.70 0.13 0.00 0.82 0.00 0.00 66.70 67.05 2qub h VAL 326 Cb 0.36 1.63 -0.09 0.00 -1.52 0.00 0.00 31.29 31.67 2qub h VAL 326 CO 0.02 0.18 0.49 0.25 0.02 0.00 0.00 177.57 178.52 2qub h LEU 327 N -0.37 0.64 -1.40 2.57 5.85 -0.92 -2.00 115.31 119.69 2qub h LEU 327 Ca -0.01 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2qub h LEU 327 Cb 0.33 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2qub h LEU 327 CO 0.01 0.31 0.00 0.59 -0.34 0.00 0.00 178.44 179.00 2qub n ASN 328 N -4.79 2.06 -4.76 1.25 5.03 -0.31 -4.87 115.26 108.86 2qub n ASN 328 Ca 0.17 -1.89 -0.39 0.00 0.87 0.00 0.00 54.58 53.34 2qub n ASN 328 Cb 0.39 -0.21 0.02 0.00 -1.02 0.00 0.00 39.78 38.96 2qub n ASN 328 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2qub s SER 329 N -1.24 5.77 0.60 6.41 0.15 -0.75 -4.90 113.70 119.74 2qub s SER 329 Ca 0.30 2.72 0.33 0.00 0.70 0.00 0.00 55.95 60.00 2qub s SER 329 Cb 0.16 -2.64 1.94 0.00 -1.71 0.00 0.00 66.02 63.77 2qub s SER 329 CO 0.22 -1.22 2.27 -0.33 1.20 0.00 0.00 173.24 175.38 2qub h GLU 330 N 2.03 0.00 -0.31 5.44 5.08 -1.90 -2.47 114.58 122.45 2qub h GLU 330 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2qub h GLU 330 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2qub h GLU 330 CO 0.60 0.01 0.00 1.19 -1.00 0.00 0.00 179.01 179.81 2qub n PHE 331 N -3.64 0.40 -0.30 4.33 3.72 -1.26 -4.62 117.46 116.08 2qub n PHE 331 Ca -0.03 -0.20 0.06 0.00 -0.05 0.00 0.00 57.45 57.24 2qub n PHE 331 Cb 0.09 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.85 2qub n PHE 331 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2qub h TYR 332 N 3.82 0.84 0.00 1.38 3.20 -1.72 -1.51 116.97 122.97 2qub h TYR 332 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2qub h TYR 332 Cb 0.84 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.87 2qub h TYR 332 CO 0.20 0.25 0.00 -1.13 -1.64 0.00 0.00 178.16 175.84 2qub n SER 333 N -4.81 0.00 -0.49 -2.11 3.41 -1.26 -1.32 113.62 107.04 2qub n SER 333 Ca 0.17 -0.31 0.11 0.00 -0.26 0.00 0.00 58.87 58.58 2qub n SER 333 Cb 0.40 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.25 2qub n SER 333 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qub n LEU 334 N -1.12 1.99 -4.90 1.04 4.77 -0.57 -4.71 117.00 113.49 2qub n LEU 334 Ca 0.11 -0.73 -0.28 0.00 -0.03 0.00 0.00 56.01 55.08 2qub n LEU 334 Cb 0.09 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 2qub n LEU 334 CO 0.11 0.37 0.38 0.42 -1.33 0.00 0.00 177.39 177.34 2qub s THR 335 N -2.47 4.92 0.25 -5.08 -4.23 -0.43 -4.95 115.64 103.64 2qub s THR 335 Ca 0.19 0.19 0.04 0.00 -1.18 0.00 0.00 61.69 60.93 2qub s THR 335 Cb 0.18 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 70.15 2qub s THR 335 CO 0.57 -0.69 -0.01 -1.81 -0.54 0.00 0.00 174.62 172.14 2qub s ASP 336 N -3.79 2.03 0.30 3.99 1.01 -1.26 -1.52 116.67 117.43 2qub s ASP 336 Ca 0.47 -1.22 0.03 0.00 0.71 0.00 0.00 52.55 52.54 2qub s ASP 336 Cb -0.10 -0.03 0.78 0.00 1.01 0.00 0.00 42.92 44.58 2qub s ASP 336 CO 0.39 -0.49 1.62 0.50 0.21 0.00 0.00 175.17 177.40 2qub h LYS 337 N 2.41 0.12 -0.43 8.23 3.64 -1.73 -1.51 116.57 127.30 2qub h LYS 337 Ca -0.39 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2qub h LYS 337 Cb 1.23 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2qub h LYS 337 CO 0.65 0.08 0.00 -0.25 -2.27 0.00 0.00 179.45 177.66 2qub n ASP 338 N -5.31 4.67 -4.69 4.20 8.00 -1.26 -4.06 116.55 118.10 2qub n ASP 338 Ca 0.23 -2.87 -0.43 0.00 0.71 0.00 0.00 54.79 52.44 2qub n ASP 338 Cb 0.76 -0.59 -0.01 0.00 -0.02 0.00 0.00 41.12 41.26 2qub n ASP 338 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2qub n SER 339 N 0.17 2.82 -4.63 -2.24 7.64 -0.57 -4.64 113.62 112.18 2qub n SER 339 Ca 0.24 1.19 -0.43 0.00 1.01 0.00 0.00 58.87 60.88 2qub n SER 339 Cb 0.99 -1.48 -0.02 0.00 -1.01 0.00 0.00 64.21 62.69 2qub n SER 339 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2qub s THR 340 N -0.79 4.06 -0.10 0.44 2.01 -1.26 -4.45 115.64 115.55 2qub s THR 340 Ca 0.59 1.21 0.01 0.00 0.31 0.00 0.00 61.69 63.80 2qub s THR 340 Cb -0.58 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 67.91 2qub s THR 340 CO 0.58 -0.39 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.39 2qub s ILE 341 N 4.43 1.14 -0.32 1.82 1.01 -0.66 -1.39 121.20 127.23 2qub s ILE 341 Ca 0.59 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.73 2qub s ILE 341 Cb -0.19 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 2qub s ILE 341 CO 0.23 0.38 0.18 -0.63 0.00 0.00 0.00 174.94 175.10 2qub s ILE 342 N 1.31 4.85 -0.29 2.92 -1.09 0.53 0.20 121.20 129.62 2qub s ILE 342 Ca -0.02 -0.34 -0.09 0.00 -2.23 0.00 0.00 60.65 57.97 2qub s ILE 342 Cb -0.14 -3.48 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 2qub s ILE 342 CO -0.04 0.04 0.13 -0.69 -1.23 0.00 0.00 174.94 173.15 2qub s VAL 343 N 1.65 4.51 -0.03 2.92 1.01 -0.22 -0.69 120.40 129.55 2qub s VAL 343 Ca 0.05 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 2qub s VAL 343 Cb -0.17 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.89 2qub s VAL 343 CO 0.08 0.13 1.66 -0.55 0.00 0.00 0.00 175.10 176.42 2qub s SER 344 N 1.61 6.66 -0.29 3.32 0.15 -0.32 -1.13 113.70 123.70 2qub s SER 344 Ca 0.05 2.29 0.21 0.00 0.70 0.00 0.00 55.95 59.20 2qub s SER 344 Cb -0.17 -2.54 0.49 0.00 -1.71 0.00 0.00 66.02 62.09 2qub s SER 344 CO 0.06 -0.91 1.04 0.59 1.20 0.00 0.00 173.24 175.21 2qub n ASN 345 N 6.82 1.54 -4.87 5.45 3.02 0.15 -4.71 115.26 122.66 2qub n ASN 345 Ca 0.17 -2.33 -0.31 0.00 -0.03 0.00 0.00 54.58 52.09 2qub n ASN 345 Cb 0.42 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 2qub n ASN 345 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qub s LEU 346 N -3.51 3.58 0.86 3.41 1.43 -1.21 -4.25 118.68 118.99 2qub s LEU 346 Ca 0.27 1.34 -0.13 0.00 -1.03 0.00 0.00 54.13 54.58 2qub s LEU 346 Cb 0.38 -4.29 0.12 0.00 0.03 0.00 0.00 46.19 42.42 2qub s LEU 346 CO -0.01 -0.61 1.21 -0.94 0.23 0.00 0.00 176.35 176.23 2qub s SER 347 N -3.51 4.02 0.50 2.29 1.04 -1.26 -4.85 113.70 111.94 2qub s SER 347 Ca 0.54 0.68 0.34 0.00 0.48 0.00 0.00 55.95 57.99 2qub s SER 347 Cb -0.10 -1.08 1.58 0.00 0.10 0.00 0.00 66.02 66.52 2qub s SER 347 CO 0.39 -2.20 2.01 0.78 0.98 0.00 0.00 173.24 175.19 2qub h ASN 348 N -1.26 0.00 1.00 7.02 2.35 -1.12 -1.79 115.58 121.77 2qub h ASN 348 Ca -0.46 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.14 2qub h ASN 348 Cb 1.31 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.66 2qub h ASN 348 CO 0.59 0.00 -0.71 0.58 -1.65 0.00 0.00 177.43 176.24 2qub h VAL 349 N 0.00 1.34 0.00 2.81 2.07 -1.82 -3.37 116.25 117.28 2qub h VAL 349 Ca 0.00 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.95 2qub h VAL 349 Cb 0.27 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2qub h VAL 349 CO 0.00 0.69 -1.21 0.35 0.02 0.00 0.00 177.57 177.42 2qub n THR 350 N -3.45 0.00 -0.12 2.57 -2.24 -1.13 -4.72 114.28 105.19 2qub n THR 350 Ca 0.00 -0.18 0.05 0.00 -2.27 0.00 0.00 64.05 61.64 2qub n THR 350 Cb 0.75 0.41 0.37 0.00 -2.10 0.00 0.00 70.33 69.76 2qub n THR 350 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2qub h ARG 351 N 0.00 0.69 -0.00 -0.78 2.43 -1.49 -1.05 114.38 114.18 2qub h ARG 351 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2qub h ARG 351 Cb 0.31 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2qub h ARG 351 CO 0.00 0.46 -0.06 0.41 -1.51 0.00 0.00 179.97 179.27 2qub n GLY 352 N -1.46 -0.98 0.00 2.80 0.00 -1.26 -3.97 105.19 100.33 2qub n GLY 352 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2qub n GLY 352 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qub n ASN 353 N -0.97 0.36 -4.02 1.61 0.23 -0.72 -5.03 115.26 106.73 2qub n ASN 353 Ca 0.16 -1.16 -0.26 0.00 -0.53 0.00 0.00 54.58 52.79 2qub n ASN 353 Cb 0.25 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 37.78 2qub n ASN 353 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2qub s THR 354 N -0.16 1.20 -0.07 5.53 2.01 -0.48 -5.10 115.64 118.57 2qub s THR 354 Ca 0.00 -0.49 -0.28 0.00 0.31 0.00 0.00 61.69 61.23 2qub s THR 354 Cb 0.00 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 2qub s THR 354 CO 0.00 0.38 0.90 0.26 -0.69 0.00 0.00 174.62 175.46 2qub s TRP 355 N 0.88 3.56 -0.27 4.92 0.52 -1.26 -4.49 118.94 122.81 2qub s TRP 355 Ca -0.10 1.49 -0.29 0.00 0.02 0.00 0.00 56.10 57.22 2qub s TRP 355 Cb -0.15 -3.05 0.01 0.00 -1.15 0.00 0.00 33.47 29.13 2qub s TRP 355 CO 0.01 -0.08 1.12 0.08 0.02 0.00 0.00 176.95 178.09 2qub s VAL 356 N 1.42 4.49 0.15 4.03 1.01 0.18 -4.90 120.40 126.78 2qub s VAL 356 Ca 0.45 1.76 -0.18 0.00 0.00 0.00 0.00 61.98 64.01 2qub s VAL 356 Cb -0.19 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 31.94 2qub s VAL 356 CO 0.20 -0.33 0.47 -1.83 0.00 0.00 0.00 175.10 173.62 2qub s GLU 357 N 3.54 1.19 -1.03 2.72 -1.05 -1.26 -1.17 118.70 121.64 2qub s GLU 357 Ca 0.48 -0.69 -0.22 0.00 -0.15 0.00 0.00 54.97 54.38 2qub s GLU 357 Cb -0.15 0.51 0.06 0.00 -0.44 0.00 0.00 34.13 34.11 2qub s GLU 357 CO 0.13 -0.49 1.44 0.34 0.95 0.00 0.00 175.26 177.63 2qub s ASP 358 N -2.81 6.53 0.49 0.83 2.15 -1.26 -4.78 116.67 117.82 2qub s ASP 358 Ca 0.04 -1.57 0.28 0.00 0.43 0.00 0.00 52.55 51.73 2qub s ASP 358 Cb 0.01 -2.56 1.03 0.00 -0.30 0.00 0.00 42.92 41.10 2qub s ASP 358 CO -0.10 -1.45 1.86 -0.07 -0.17 0.00 0.00 175.17 175.24 2qub h LEU 359 N 12.58 0.00 2.05 -1.34 3.38 -1.98 -3.47 115.31 126.53 2qub h LEU 359 Ca 0.21 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.80 2qub h LEU 359 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2qub h LEU 359 CO 1.41 0.11 -0.53 -3.20 0.09 0.00 0.00 178.44 176.31 2qub n ASN 360 N -3.22 -5.50 -4.76 -0.43 4.05 -1.26 -4.95 115.26 99.19 2qub n ASN 360 Ca 0.01 -0.11 -0.40 0.00 0.45 0.00 0.00 54.58 54.53 2qub n ASN 360 Cb 0.39 -4.54 -0.04 0.00 1.23 0.00 0.00 39.78 36.83 2qub n ASN 360 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 2qub s ARG 361 N -5.35 4.57 -1.42 1.20 3.52 -1.26 -4.01 118.95 116.20 2qub s ARG 361 Ca 0.14 1.90 -0.02 0.00 -0.13 0.00 0.00 55.73 57.62 2qub s ARG 361 Cb -0.06 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 2qub s ARG 361 CO 0.17 0.12 0.35 0.09 -0.81 0.00 0.00 175.30 175.21 2qub n ASN 362 N 1.12 -0.30 -3.45 -2.12 5.03 -1.26 -4.95 115.26 109.34 2qub n ASN 362 Ca -0.01 -1.07 -0.11 0.00 0.87 0.00 0.00 54.58 54.26 2qub n ASN 362 Cb 0.44 -2.72 -0.02 0.00 -1.02 0.00 0.00 39.78 36.46 2qub n ASN 362 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qub s ALA 363 N -4.03 -1.67 0.67 5.41 0.00 -1.26 -4.87 121.76 116.02 2qub s ALA 363 Ca 0.03 0.66 -0.16 0.00 0.00 0.00 0.00 51.96 52.49 2qub s ALA 363 Cb -0.01 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.85 2qub s ALA 363 CO 0.91 -0.74 1.18 -1.21 0.00 0.00 0.00 175.76 175.91 2qub s GLU 364 N -3.53 2.55 0.22 0.00 2.02 -1.26 -4.90 118.70 113.80 2qub s GLU 364 Ca 0.02 1.70 -0.32 0.00 0.02 0.00 0.00 54.97 56.39 2qub s GLU 364 Cb -0.01 -1.89 -0.12 0.00 0.10 0.00 0.00 34.13 32.21 2qub s GLU 364 CO -0.12 -1.50 1.71 0.99 0.02 0.00 0.00 175.26 176.36 2qub s THR 365 N -1.94 2.00 0.50 3.63 2.01 -1.26 -4.95 115.64 115.63 2qub s THR 365 Ca 0.74 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 62.55 2qub s THR 365 Cb -0.27 -3.00 -0.08 0.00 0.01 0.00 0.00 72.50 69.16 2qub s THR 365 CO 0.40 0.00 1.02 -1.00 -0.69 0.00 0.00 174.62 174.36 2qub s HIS 366 N 0.99 3.11 0.25 4.92 0.09 -1.26 -5.08 115.29 118.31 2qub s HIS 366 Ca 0.73 1.55 -0.02 0.00 -0.00 0.00 0.00 55.06 57.33 2qub s HIS 366 Cb -0.50 -2.98 -0.03 0.00 -0.00 0.00 0.00 32.58 29.07 2qub s HIS 366 CO 0.35 -0.71 0.25 -1.54 -0.00 0.00 0.00 174.74 173.09 2qub s SER 367 N -2.33 0.46 0.05 1.40 1.04 -1.26 -5.12 113.70 107.93 2qub s SER 367 Ca 0.64 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2qub s SER 367 Cb -0.14 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2qub s SER 367 CO 0.24 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2qub n GLY 368 N -0.38 -2.15 3.74 7.32 0.00 -1.26 -4.62 105.19 107.84 2qub n GLY 368 Ca 0.02 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 2qub n GLY 368 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qub s PRO 369 N -0.71 2.06 -0.09 1.61 0.04 -1.26 -4.82 135.00 131.82 2qub s PRO 369 Ca 0.00 1.37 0.04 0.00 0.04 0.00 0.00 61.00 62.45 2qub s PRO 369 Cb 0.00 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 2qub s PRO 369 CO 0.00 -1.82 -0.24 0.99 0.04 0.00 0.00 177.00 175.97 2qub s THR 370 N -2.63 2.02 -0.19 1.26 2.01 -0.57 -4.02 115.64 113.52 2qub s THR 370 Ca 0.65 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 2qub s THR 370 Cb -0.20 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 2qub s THR 370 CO 0.52 0.55 0.03 -0.36 -0.69 0.00 0.00 174.62 174.68 2qub s PHE 371 N 0.25 3.13 -0.20 4.92 0.08 -0.49 -0.62 117.98 125.05 2qub s PHE 371 Ca -0.16 -0.20 0.01 0.00 0.12 0.00 0.00 56.93 56.70 2qub s PHE 371 Cb -0.17 -2.08 0.02 0.00 -0.57 0.00 0.00 43.02 40.22 2qub s PHE 371 CO 0.08 -0.06 -0.17 0.42 -0.10 0.00 0.00 175.22 175.39 2qub s ILE 372 N 0.73 2.26 -0.31 0.64 1.01 -0.06 -0.34 121.20 125.13 2qub s ILE 372 Ca 0.02 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 2qub s ILE 372 Cb -0.14 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.33 2qub s ILE 372 CO 0.02 0.45 0.12 -0.63 0.00 0.00 0.00 174.94 174.90 2qub s ILE 373 N 1.29 4.25 0.00 2.92 -1.09 0.13 -0.97 121.20 127.74 2qub s ILE 373 Ca 0.03 -0.63 0.00 0.00 -2.23 0.00 0.00 60.65 57.82 2qub s ILE 373 Cb -0.14 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 2qub s ILE 373 CO -0.11 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.25 2qub n GLY 374 N 4.92 -1.37 3.78 6.18 0.00 0.11 -1.17 105.19 117.64 2qub n GLY 374 Ca -0.14 -1.63 -0.26 0.00 0.00 0.00 0.00 46.02 43.99 2qub n GLY 374 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qub s SER 375 N -1.10 4.43 0.00 1.61 1.04 -1.26 -4.67 113.70 113.75 2qub s SER 375 Ca 0.00 -1.21 0.19 0.00 0.48 0.00 0.00 55.95 55.41 2qub s SER 375 Cb 0.00 -0.11 1.14 0.00 0.10 0.00 0.00 66.02 67.14 2qub s SER 375 CO 0.00 -0.72 1.58 0.47 0.98 0.00 0.00 173.24 175.55 2qub n ASP 376 N -1.37 0.00 -2.15 7.02 8.00 -1.26 -4.08 116.55 122.71 2qub n ASP 376 Ca -0.04 -0.91 -0.01 0.00 0.71 0.00 0.00 54.79 54.54 2qub n ASP 376 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 2qub n ASP 376 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qub n GLY 377 N 0.45 1.55 3.58 0.44 0.00 -1.25 -3.30 105.19 106.66 2qub n GLY 377 Ca 0.14 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 2qub n GLY 377 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qub s ASN 378 N -1.20 6.51 0.12 1.61 -0.87 -1.26 -4.21 114.94 115.63 2qub s ASN 378 Ca 0.03 0.18 0.04 0.00 -1.57 0.00 0.00 52.86 51.54 2qub s ASN 378 Cb -0.00 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.66 2qub s ASN 378 CO 0.02 -1.33 0.14 -1.81 -2.57 0.00 0.00 177.10 171.54 2qub s ASP 379 N 2.70 5.67 -0.27 -1.22 1.01 -1.25 -4.64 116.67 118.68 2qub s ASP 379 Ca 0.43 -0.02 -0.05 0.00 0.71 0.00 0.00 52.55 53.62 2qub s ASP 379 Cb -0.08 -1.55 0.01 0.00 1.01 0.00 0.00 42.92 42.32 2qub s ASP 379 CO 0.27 0.11 0.02 -0.76 0.21 0.00 0.00 175.17 175.03 2qub s LEU 380 N -2.82 3.55 -0.10 1.23 1.43 -1.26 -1.21 118.68 119.51 2qub s LEU 380 Ca 0.31 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 2qub s LEU 380 Cb -0.11 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.32 2qub s LEU 380 CO 0.24 -0.16 -0.17 -0.63 0.23 0.00 0.00 176.35 175.86 2qub s ILE 381 N 1.44 1.60 -0.16 -0.59 1.01 -0.37 -0.64 121.20 123.48 2qub s ILE 381 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.95 2qub s ILE 381 Cb -0.17 -1.43 0.03 0.00 0.01 0.00 0.00 42.46 40.91 2qub s ILE 381 CO -0.00 0.46 -0.11 -0.75 0.00 0.00 0.00 174.94 174.53 2qub s LYS 382 N 0.72 2.04 0.43 2.79 2.47 -0.32 -0.77 119.74 127.11 2qub s LYS 382 Ca -0.12 -0.61 -0.12 0.00 -1.56 0.00 0.00 55.97 53.57 2qub s LYS 382 Cb -0.16 -2.13 -0.07 0.00 -1.46 0.00 0.00 37.83 34.01 2qub s LYS 382 CO 0.02 -0.32 0.81 0.20 0.16 0.00 0.00 175.35 176.23 2qub s GLY 383 N 1.50 1.98 0.00 5.54 0.00 0.08 -4.36 107.32 112.06 2qub s GLY 383 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.63 2qub s GLY 383 CO -0.09 0.09 0.00 0.61 0.00 0.00 0.00 173.10 173.71 2qub n GLY 384 N -1.33 0.07 0.14 0.20 0.00 -1.26 -1.75 105.19 101.26 2qub n GLY 384 Ca 0.03 -1.83 0.13 0.00 0.00 0.00 0.00 46.02 44.36 2qub n GLY 384 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qub h LYS 385 N 0.00 0.00 0.00 1.61 1.57 -1.82 -3.04 116.57 114.89 2qub h LYS 385 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qub h LYS 385 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2qub h LYS 385 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2qub n GLY 386 N 0.51 0.53 3.70 3.86 0.00 -1.26 -2.34 105.19 110.18 2qub n GLY 386 Ca 0.03 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 2qub n GLY 386 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qub s ASN 387 N -1.00 6.90 0.04 1.61 0.01 -1.26 -4.15 114.94 117.09 2qub s ASN 387 Ca 0.00 1.09 0.06 0.00 -0.71 0.00 0.00 52.86 53.29 2qub s ASN 387 Cb 0.00 -2.39 -0.02 0.00 0.41 0.00 0.00 41.25 39.25 2qub s ASN 387 CO 0.00 -0.16 -0.16 -1.81 -1.51 0.00 0.00 177.10 173.46 2qub s ASP 388 N 0.89 1.91 -0.26 -1.22 1.01 -1.14 -1.51 116.67 116.34 2qub s ASP 388 Ca 0.35 -0.49 0.03 0.00 0.71 0.00 0.00 52.55 53.15 2qub s ASP 388 Cb -0.17 -0.13 0.06 0.00 1.01 0.00 0.00 42.92 43.69 2qub s ASP 388 CO 0.15 0.07 -0.10 -0.31 0.21 0.00 0.00 175.17 175.19 2qub s TYR 389 N -0.86 3.27 -0.17 4.23 2.02 0.21 -1.15 117.35 124.90 2qub s TYR 389 Ca 0.03 -2.30 -0.02 0.00 -0.37 0.00 0.00 57.07 54.41 2qub s TYR 389 Cb -0.08 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 2qub s TYR 389 CO 0.01 -0.88 -0.09 -0.51 -1.57 0.00 0.00 175.55 172.52 2qub s LEU 390 N 1.11 2.80 -0.22 -1.29 1.43 -0.07 -0.88 118.68 121.55 2qub s LEU 390 Ca -0.09 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2qub s LEU 390 Cb -0.20 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.39 2qub s LEU 390 CO -0.05 0.09 -0.14 -0.70 0.23 0.00 0.00 176.35 175.77 2qub s GLU 391 N 0.84 2.52 0.14 1.70 2.12 -0.14 -0.70 118.70 125.17 2qub s GLU 391 Ca -0.03 -1.09 0.12 0.00 0.36 0.00 0.00 54.97 54.32 2qub s GLU 391 Cb -0.15 -2.72 -0.12 0.00 0.26 0.00 0.00 34.13 31.41 2qub s GLU 391 CO 0.01 -0.41 1.18 0.78 -0.54 0.00 0.00 175.26 176.27 2qub h GLY 392 N 7.86 0.00 0.00 -1.50 0.00 -1.16 0.31 103.07 108.57 2qub h GLY 392 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2qub h GLY 392 CO 0.53 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.61 2qub n ARG 393 N -3.20 0.00 -0.69 4.80 1.74 -1.25 -4.04 116.66 114.02 2qub n ARG 393 Ca -0.03 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.77 2qub n ARG 393 Cb 0.88 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.55 2qub n ARG 393 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2qub s ASP 394 N -4.00 1.33 0.00 0.55 1.01 -1.26 -3.76 116.67 110.54 2qub s ASP 394 Ca 0.00 1.45 0.00 0.00 0.71 0.00 0.00 52.55 54.71 2qub s ASP 394 Cb 0.00 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.73 2qub s ASP 394 CO 0.00 -3.97 0.00 0.61 0.21 0.00 0.00 175.17 172.02 2qub n GLY 395 N 0.36 -0.09 3.53 0.21 0.00 -1.21 -3.91 105.19 104.09 2qub n GLY 395 Ca 0.04 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 2qub n GLY 395 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qub s ASP 396 N -1.93 6.34 0.04 1.61 1.01 -1.26 -4.29 116.67 118.20 2qub s ASP 396 Ca 0.00 -0.32 0.02 0.00 0.71 0.00 0.00 52.55 52.96 2qub s ASP 396 Cb 0.00 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 2qub s ASP 396 CO 0.00 -1.28 0.06 -1.81 0.21 0.00 0.00 175.17 172.35 2qub s ASP 397 N 2.91 5.46 -0.11 0.27 1.01 -1.23 -3.75 116.67 121.23 2qub s ASP 397 Ca 0.32 0.02 0.03 0.00 0.71 0.00 0.00 52.55 53.63 2qub s ASP 397 Cb -0.12 -1.48 -0.01 0.00 1.01 0.00 0.00 42.92 42.33 2qub s ASP 397 CO 0.20 0.22 -0.20 -0.63 0.21 0.00 0.00 175.17 174.96 2qub s ILE 398 N -1.27 2.40 -0.03 0.77 1.01 -0.35 -0.82 121.20 122.91 2qub s ILE 398 Ca 0.25 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 60.03 2qub s ILE 398 Cb -0.12 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 2qub s ILE 398 CO 0.17 0.55 -0.09 -0.36 0.00 0.00 0.00 174.94 175.21 2qub s PHE 399 N 0.31 2.84 0.14 3.97 0.08 0.27 -1.23 117.98 124.36 2qub s PHE 399 Ca -0.15 -0.06 0.06 0.00 0.12 0.00 0.00 56.93 56.89 2qub s PHE 399 Cb -0.17 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2qub s PHE 399 CO 0.08 0.31 -0.13 1.03 -0.10 0.00 0.00 175.22 176.41 2qub s ARG 400 N -1.06 1.08 -0.25 0.44 0.52 0.05 -0.55 118.95 119.19 2qub s ARG 400 Ca 0.14 -1.36 -0.18 0.00 -0.52 0.00 0.00 55.73 53.81 2qub s ARG 400 Cb -0.11 -0.84 0.07 0.00 0.52 0.00 0.00 34.95 34.59 2qub s ARG 400 CO 0.04 0.14 0.63 0.34 0.02 0.00 0.00 175.30 176.47 2qub s ASP 401 N -2.83 -0.77 0.03 0.23 2.15 -1.26 -0.74 116.67 113.48 2qub s ASP 401 Ca 0.14 1.34 0.26 0.00 0.43 0.00 0.00 52.55 54.71 2qub s ASP 401 Cb -0.02 1.28 0.69 0.00 -0.30 0.00 0.00 42.92 44.57 2qub s ASP 401 CO 0.03 -0.23 1.55 0.00 -0.17 0.00 0.00 175.17 176.36 2qub n ALA 402 N 3.58 3.05 0.00 3.66 0.00 -0.72 -4.95 120.51 125.13 2qub n ALA 402 Ca -0.18 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2qub n ALA 402 Cb 0.57 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2qub n ALA 402 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qub n GLY 403 N 1.46 -1.30 7.00 0.00 0.00 -1.15 -4.62 105.19 106.58 2qub n GLY 403 Ca 0.06 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2qub n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qub n GLY 404 N -0.10 -1.15 3.31 -0.02 0.00 -0.99 -4.29 105.19 101.96 2qub n GLY 404 Ca 0.00 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 2qub n GLY 404 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qub s TYR 405 N 0.00 2.86 0.05 1.61 2.02 -1.26 -3.09 117.35 119.54 2qub s TYR 405 Ca 0.00 -0.91 0.01 0.00 -0.37 0.00 0.00 57.07 55.80 2qub s TYR 405 Cb 0.00 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.58 2qub s TYR 405 CO 0.00 -0.43 -0.06 -0.80 -1.57 0.00 0.00 175.55 172.69 2qub s ASN 406 N 0.93 0.72 -0.07 2.29 0.01 -0.58 -2.90 114.94 115.34 2qub s ASN 406 Ca -0.02 -0.72 0.05 0.00 -0.71 0.00 0.00 52.86 51.46 2qub s ASN 406 Cb -0.15 0.09 -0.01 0.00 0.41 0.00 0.00 41.25 41.59 2qub s ASN 406 CO -0.01 -0.36 -0.24 -0.76 -1.51 0.00 0.00 177.10 174.23 2qub s LEU 407 N -2.13 2.13 -0.08 0.60 1.43 -0.30 -1.60 118.68 118.72 2qub s LEU 407 Ca -0.03 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 2qub s LEU 407 Cb -0.03 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.81 2qub s LEU 407 CO -0.03 0.24 -0.13 -0.63 0.23 0.00 0.00 176.35 176.03 2qub s ILE 408 N -0.11 1.25 -0.34 -0.59 1.01 0.58 -0.89 121.20 122.11 2qub s ILE 408 Ca -0.05 -0.52 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 2qub s ILE 408 Cb -0.14 -1.16 0.08 0.00 0.01 0.00 0.00 42.46 41.25 2qub s ILE 408 CO 0.04 0.39 0.06 0.00 0.00 0.00 0.00 174.94 175.43 2qub s ALA 409 N 0.88 2.92 0.29 9.38 0.00 0.12 -0.68 121.76 134.68 2qub s ALA 409 Ca -0.10 -2.18 0.17 0.00 0.00 0.00 0.00 51.96 49.85 2qub s ALA 409 Cb -0.15 -2.06 0.79 0.00 0.00 0.00 0.00 23.12 21.69 2qub s ALA 409 CO 0.01 -1.52 1.81 0.78 0.00 0.00 0.00 175.76 176.83 2qub h GLY 410 N 7.91 0.00 0.00 0.00 0.00 -1.40 0.12 103.07 109.70 2qub h GLY 410 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2qub h GLY 410 CO 0.58 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.73 2qub n GLY 411 N -0.15 -0.53 3.60 4.60 0.00 -1.26 -3.94 105.19 107.49 2qub n GLY 411 Ca -0.01 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 2qub n GLY 411 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qub s LYS 412 N 0.00 0.07 0.01 1.61 1.02 -1.25 -4.86 119.74 116.34 2qub s LYS 412 Ca 0.00 0.94 0.00 0.00 0.02 0.00 0.00 55.97 56.93 2qub s LYS 412 Cb 0.00 -1.66 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 2qub s LYS 412 CO 0.00 -3.09 0.00 0.41 -0.92 0.00 0.00 175.35 171.75 2qub n GLY 413 N 0.06 -3.62 3.46 -3.33 0.00 -1.26 -3.95 105.19 96.55 2qub n GLY 413 Ca 0.06 -1.91 -0.44 0.00 0.00 0.00 0.00 46.02 43.73 2qub n GLY 413 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qub s HIS 414 N -0.99 2.92 0.02 1.61 2.46 -1.26 -4.93 115.29 115.12 2qub s HIS 414 Ca 0.00 -0.47 0.02 0.00 0.47 0.00 0.00 55.06 55.08 2qub s HIS 414 Cb 0.00 -3.85 -0.04 0.00 -0.13 0.00 0.00 32.58 28.56 2qub s HIS 414 CO 0.00 -1.24 0.03 -0.80 -2.47 0.00 0.00 174.74 170.26 2qub s ASN 415 N 3.01 5.27 -0.03 9.88 0.01 -1.26 -3.56 114.94 128.26 2qub s ASN 415 Ca 0.19 0.00 0.06 0.00 -0.71 0.00 0.00 52.86 52.40 2qub s ASN 415 Cb -0.18 -1.40 -0.01 0.00 0.41 0.00 0.00 41.25 40.07 2qub s ASN 415 CO 0.13 0.25 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.14 2qub s ILE 416 N -1.17 1.63 -0.21 0.60 1.01 0.00 -1.42 121.20 121.64 2qub s ILE 416 Ca 0.22 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 2qub s ILE 416 Cb -0.12 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 2qub s ILE 416 CO 0.13 0.46 0.01 0.12 0.00 0.00 0.00 174.94 175.67 2qub s PHE 417 N -0.29 3.05 -0.34 3.97 5.36 -0.64 -0.57 117.98 128.53 2qub s PHE 417 Ca 0.03 -0.46 -0.09 0.00 -0.96 0.00 0.00 56.93 55.45 2qub s PHE 417 Cb -0.10 -2.11 0.02 0.00 -0.34 0.00 0.00 43.02 40.49 2qub s PHE 417 CO 0.01 -0.26 0.14 0.34 -1.46 0.00 0.00 175.22 173.99 2qub s ASP 418 N 1.11 5.46 0.38 6.13 2.15 0.29 -0.30 116.67 131.89 2qub s ASP 418 Ca 0.03 -0.95 0.26 0.00 0.43 0.00 0.00 52.55 52.32 2qub s ASP 418 Cb -0.14 -1.94 0.72 0.00 -0.30 0.00 0.00 42.92 41.25 2qub s ASP 418 CO 0.02 -0.31 1.73 0.71 -0.17 0.00 0.00 175.17 177.15 2qub h THR 419 N 5.96 0.00 -1.06 1.71 1.35 -1.29 -3.41 112.91 116.16 2qub h THR 419 Ca -0.26 -0.69 -0.40 0.00 -0.55 0.00 0.00 66.41 64.50 2qub h THR 419 Cb 1.10 1.66 -0.16 0.00 -1.73 0.00 0.00 68.15 69.03 2qub h THR 419 CO 0.63 0.00 -0.37 0.00 -0.25 0.00 0.00 175.52 175.53 2qub n GLN 420 N -2.78 -1.43 -2.84 4.72 6.02 -1.26 -4.93 117.38 114.87 2qub n GLN 420 Ca 0.04 1.16 -0.06 0.00 -0.01 0.00 0.00 57.00 58.13 2qub n GLN 420 Cb 0.43 -5.53 0.01 0.00 1.02 0.00 0.00 30.24 26.18 2qub n GLN 420 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qub n GLN 421 N -2.30 0.71 -1.79 -1.09 10.64 -1.26 -4.69 117.38 117.59 2qub n GLN 421 Ca -0.20 -1.50 -0.41 0.00 -1.83 0.00 0.00 57.00 53.06 2qub n GLN 421 Cb 0.65 1.81 -0.01 0.00 -0.86 0.00 0.00 30.24 31.82 2qub n GLN 421 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2qub s ALA 422 N -1.78 3.72 0.48 2.61 0.00 -0.84 -1.32 121.76 124.64 2qub s ALA 422 Ca 0.11 1.56 0.16 0.00 0.00 0.00 0.00 51.96 53.80 2qub s ALA 422 Cb -0.03 -3.64 1.16 0.00 0.00 0.00 0.00 23.12 20.61 2qub s ALA 422 CO 0.08 -0.98 2.04 1.25 0.00 0.00 0.00 175.76 178.15 2qub h LEU 423 N 4.68 0.20 -1.11 0.00 5.85 -1.94 -1.68 115.31 121.30 2qub h LEU 423 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2qub h LEU 423 Cb 1.22 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2qub h LEU 423 CO 0.78 0.12 0.00 2.29 -0.34 0.00 0.00 178.44 181.29 2qub n LYS 424 N -4.47 0.16 0.00 1.25 2.85 -1.26 -1.56 118.16 115.13 2qub n LYS 424 Ca 0.06 0.55 0.14 0.00 -1.05 0.00 0.00 58.31 58.01 2qub n LYS 424 Cb 0.32 -1.91 0.53 0.00 -0.65 0.00 0.00 35.03 33.32 2qub n LYS 424 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2qub n ASN 425 N -2.23 0.72 -4.11 -5.58 3.02 -0.63 -4.82 115.26 101.63 2qub n ASN 425 Ca -0.00 -0.75 -0.27 0.00 -0.03 0.00 0.00 54.58 53.53 2qub n ASN 425 Cb 0.11 0.01 -0.17 0.00 -0.61 0.00 0.00 39.78 39.12 2qub n ASN 425 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qub s THR 426 N -2.45 1.48 -0.10 3.41 2.01 -0.60 -3.96 115.64 115.43 2qub s THR 426 Ca 0.28 -0.69 -0.26 0.00 0.31 0.00 0.00 61.69 61.33 2qub s THR 426 Cb 0.20 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 2qub s THR 426 CO 0.48 0.43 0.85 -1.61 -0.69 0.00 0.00 174.62 174.08 2qub s GLU 427 N 0.44 4.40 -0.13 4.92 2.02 -0.80 -4.93 118.70 124.61 2qub s GLU 427 Ca -0.14 1.11 0.01 0.00 0.02 0.00 0.00 54.97 55.97 2qub s GLU 427 Cb -0.16 -3.52 0.02 0.00 0.10 0.00 0.00 34.13 30.57 2qub s GLU 427 CO 0.05 -0.18 -0.15 0.08 0.02 0.00 0.00 175.26 175.08 2qub s VAL 428 N 1.59 1.57 0.23 2.63 1.01 -1.26 -1.51 120.40 124.66 2qub s VAL 428 Ca 0.42 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2qub s VAL 428 Cb -0.18 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 2qub s VAL 428 CO 0.17 0.46 0.09 0.00 0.00 0.00 0.00 175.10 175.82 2qub s ALA 429 N 1.23 1.51 -0.15 5.51 0.00 -0.52 -4.56 121.76 124.79 2qub s ALA 429 Ca -0.01 -1.78 -0.06 0.00 0.00 0.00 0.00 51.96 50.11 2qub s ALA 429 Cb -0.14 1.07 0.07 0.00 0.00 0.00 0.00 23.12 24.12 2qub s ALA 429 CO -0.06 -0.48 0.32 -0.47 0.00 0.00 0.00 175.76 175.07 2qub s TYR 430 N -3.86 -0.52 -2.11 0.00 5.04 -1.26 -0.52 117.35 114.12 2qub s TYR 430 Ca 0.36 1.12 0.15 0.00 -2.44 0.00 0.00 57.07 56.26 2qub s TYR 430 Cb 0.07 0.10 0.57 0.00 0.35 0.00 0.00 41.96 43.05 2qub s TYR 430 CO 0.12 -0.37 1.41 -0.40 -1.34 0.00 0.00 175.55 174.97 2qub n ASP 431 N 5.05 1.26 0.00 4.32 5.68 -0.70 -4.86 116.55 127.30 2qub n ASP 431 Ca -0.12 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 2qub n ASP 431 Cb 0.51 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 2qub n ASP 431 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qub n GLY 432 N 0.97 2.33 0.80 6.12 0.00 -1.26 -4.76 105.19 109.39 2qub n GLY 432 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2qub n GLY 432 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qub n ASN 433 N 0.00 0.60 -4.65 1.61 4.05 -1.26 -4.94 115.26 110.67 2qub n ASN 433 Ca 0.00 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.68 2qub n ASN 433 Cb 0.00 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 40.91 2qub n ASN 433 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2qub s THR 434 N -1.62 4.44 -0.15 -0.44 2.01 -1.26 -4.10 115.64 114.53 2qub s THR 434 Ca 0.00 -0.18 -0.17 0.00 0.31 0.00 0.00 61.69 61.65 2qub s THR 434 Cb 0.00 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 2qub s THR 434 CO 0.00 0.55 0.43 -0.22 -0.69 0.00 0.00 174.62 174.68 2qub s LEU 435 N -0.33 4.24 -0.19 4.42 2.96 0.14 -1.72 118.68 128.20 2qub s LEU 435 Ca 0.07 0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 54.63 2qub s LEU 435 Cb -0.12 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 2qub s LEU 435 CO 0.02 -0.00 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.72 2qub s TYR 436 N 0.77 3.02 -0.09 5.38 2.02 0.32 -0.81 117.35 127.96 2qub s TYR 436 Ca 0.23 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 2qub s TYR 436 Cb -0.15 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.39 2qub s TYR 436 CO 0.08 -0.21 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.26 2qub s LEU 437 N 0.84 1.34 -0.18 -1.29 1.43 -0.31 -1.43 118.68 119.08 2qub s LEU 437 Ca -0.00 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 2qub s LEU 437 Cb -0.14 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.29 2qub s LEU 437 CO 0.02 -0.06 -0.13 -0.60 0.23 0.00 0.00 176.35 175.80 2qub s ARG 438 N 1.28 3.20 0.90 1.70 3.52 -0.57 -0.40 118.95 128.58 2qub s ARG 438 Ca -0.03 -0.74 -0.13 0.00 -0.13 0.00 0.00 55.73 54.70 2qub s ARG 438 Cb -0.14 -2.72 0.18 0.00 -1.56 0.00 0.00 34.95 30.71 2qub s ARG 438 CO -0.03 -0.11 1.25 0.16 -0.81 0.00 0.00 175.30 175.76 2qub s ASP 439 N 1.14 3.47 0.57 -2.12 1.47 -0.00 -1.90 116.67 119.28 2qub s ASP 439 Ca 0.01 0.19 0.35 0.00 1.18 0.00 0.00 52.55 54.28 2qub s ASP 439 Cb -0.14 -0.34 1.65 0.00 -0.34 0.00 0.00 42.92 43.75 2qub s ASP 439 CO -0.05 -2.50 2.10 0.00 0.68 0.00 0.00 175.17 175.41 2qub h ALA 440 N -1.38 1.06 -0.17 2.11 0.00 -1.90 -1.89 119.26 117.08 2qub h ALA 440 Ca -0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2qub h ALA 440 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2qub h ALA 440 CO 0.41 0.05 0.00 1.63 0.00 0.00 0.00 179.25 181.34 2qub n LYS 441 N -3.22 1.90 -0.07 0.00 5.02 -1.26 -4.93 118.16 115.59 2qub n LYS 441 Ca -0.01 -1.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.93 2qub n LYS 441 Cb 0.23 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 2qub n LYS 441 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qub n GLY 442 N 1.22 0.57 3.75 0.72 0.00 -0.71 -5.06 105.19 105.68 2qub n GLY 442 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2qub n GLY 442 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qub s GLY 443 N -1.68 2.50 -0.08 -0.02 0.00 -1.26 -4.75 107.32 102.02 2qub s GLY 443 Ca 0.00 1.32 0.03 0.00 0.00 0.00 0.00 44.72 46.07 2qub s GLY 443 CO 0.00 2.19 -0.18 -0.42 0.00 0.00 0.00 173.10 174.69 2qub s ILE 444 N -0.29 2.68 -0.10 0.90 1.01 -1.18 -0.82 121.20 123.40 2qub s ILE 444 Ca 0.57 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 60.42 2qub s ILE 444 Cb -0.41 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 2qub s ILE 444 CO 0.46 0.56 -0.20 -0.89 0.00 0.00 0.00 174.94 174.87 2qub s THR 445 N -0.09 2.46 -0.19 2.92 2.01 0.47 -1.52 115.64 121.70 2qub s THR 445 Ca -0.03 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 2qub s THR 445 Cb -0.14 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 2qub s THR 445 CO 0.04 0.55 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.72 2qub s LEU 446 N 0.14 3.03 -0.09 4.42 1.02 -0.63 -1.16 118.68 125.41 2qub s LEU 446 Ca -0.10 -0.28 -0.01 0.00 0.02 0.00 0.00 54.13 53.76 2qub s LEU 446 Cb -0.16 -1.75 0.03 0.00 0.02 0.00 0.00 46.19 44.33 2qub s LEU 446 CO 0.06 0.07 -0.03 0.00 0.02 0.00 0.00 176.35 176.47 2qub s ALA 447 N 0.93 0.94 0.12 4.21 0.00 0.01 -0.31 121.76 127.67 2qub s ALA 447 Ca -0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 2qub s ALA 447 Cb -0.15 -0.79 -0.06 0.00 0.00 0.00 0.00 23.12 22.13 2qub s ALA 447 CO 0.01 -0.41 0.40 -0.51 0.00 0.00 0.00 175.76 175.25 2qub s ASP 448 N 1.80 6.56 -1.43 0.00 1.11 0.15 -0.69 116.67 124.17 2qub s ASP 448 Ca 0.04 0.70 -0.11 0.00 0.18 0.00 0.00 52.55 53.36 2qub s ASP 448 Cb -0.13 -2.14 0.04 0.00 1.07 0.00 0.00 42.92 41.77 2qub s ASP 448 CO -0.06 0.09 1.09 0.47 1.18 0.00 0.00 175.17 177.94 2qub n ASP 449 N 0.41 -5.52 -4.58 0.27 8.00 -1.26 -1.19 116.55 112.68 2qub n ASP 449 Ca -0.04 -0.65 -0.39 0.00 0.71 0.00 0.00 54.79 54.42 2qub n ASP 449 Cb 0.52 -4.52 -0.10 0.00 -0.02 0.00 0.00 41.12 37.00 2qub n ASP 449 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qub s ILE 450 N -3.32 5.26 -0.15 0.53 -1.09 -1.26 -4.27 121.20 116.90 2qub s ILE 450 Ca 0.60 0.23 0.18 0.00 -2.23 0.00 0.00 60.65 59.42 2qub s ILE 450 Cb -0.28 -3.62 -0.08 0.00 -1.58 0.00 0.00 42.46 36.90 2qub s ILE 450 CO 0.78 0.17 0.95 0.28 -1.23 0.00 0.00 174.94 175.89 2qub h SER 451 N 8.34 0.00 -3.51 3.58 0.02 -1.60 -3.44 113.55 116.93 2qub h SER 451 Ca -0.33 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.32 2qub h SER 451 Cb 1.18 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.37 2qub h SER 451 CO 0.60 0.47 -0.73 -0.89 -1.14 0.00 0.00 176.83 175.13 2qub s THR 452 N -3.00 -0.06 -0.28 -2.27 2.01 -1.15 -1.41 115.64 109.47 2qub s THR 452 Ca -0.01 0.23 -0.09 0.00 0.31 0.00 0.00 61.69 62.12 2qub s THR 452 Cb 0.09 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.49 2qub s THR 452 CO 0.80 0.09 0.13 -0.22 -0.69 0.00 0.00 174.62 174.73 2qub s LEU 453 N 1.11 3.80 -0.19 4.42 2.96 -0.08 -1.62 118.68 129.09 2qub s LEU 453 Ca -0.09 -0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 53.49 2qub s LEU 453 Cb -0.13 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 2qub s LEU 453 CO -0.03 -0.09 0.08 -0.60 -1.32 0.00 0.00 176.35 174.39 2qub s ARG 454 N 1.65 4.03 0.38 1.98 3.52 0.59 -0.67 118.95 130.44 2qub s ARG 454 Ca 0.06 -0.31 0.07 0.00 -0.13 0.00 0.00 55.73 55.42 2qub s ARG 454 Cb -0.16 -3.28 -0.07 0.00 -1.56 0.00 0.00 34.95 29.88 2qub s ARG 454 CO 0.06 0.27 -0.01 -1.54 -0.81 0.00 0.00 175.30 173.27 2qub s SER 455 N 0.40 3.69 -0.22 -2.12 1.04 -0.16 -0.86 113.70 115.46 2qub s SER 455 Ca 0.04 -1.33 0.02 0.00 0.48 0.00 0.00 55.95 55.16 2qub s SER 455 Cb -0.12 -0.36 0.04 0.00 0.10 0.00 0.00 66.02 65.68 2qub s SER 455 CO -0.00 -0.41 -0.14 -0.75 0.98 0.00 0.00 173.24 172.92 2qub s LYS 456 N -3.70 2.63 0.41 4.02 2.20 -0.43 -0.82 119.74 124.04 2qub s LYS 456 Ca 0.34 -1.08 0.08 0.00 -0.36 0.00 0.00 55.97 54.95 2qub s LYS 456 Cb 0.08 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.61 2qub s LYS 456 CO 0.17 -0.39 0.30 -1.21 -0.36 0.00 0.00 175.35 173.86 2qub s GLU 457 N 1.21 2.44 -0.04 4.03 0.41 -0.08 -1.98 118.70 124.69 2qub s GLU 457 Ca -0.02 -1.62 0.01 0.00 -0.41 0.00 0.00 54.97 52.94 2qub s GLU 457 Cb -0.17 -2.25 0.02 0.00 -1.78 0.00 0.00 34.13 29.95 2qub s GLU 457 CO -0.08 -0.14 -0.06 0.99 -0.49 0.00 0.00 175.26 175.48 2qub s THR 458 N -2.50 0.60 0.04 3.63 2.01 -1.26 -1.15 115.64 117.02 2qub s THR 458 Ca 0.45 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.32 2qub s THR 458 Cb -0.01 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 2qub s THR 458 CO 0.26 0.23 -0.06 -0.44 -0.69 0.00 0.00 174.62 173.92 2qub s SER 459 N 0.79 4.67 -1.69 3.53 0.01 0.35 -4.59 113.70 116.78 2qub s SER 459 Ca -0.11 -0.20 -0.18 0.00 1.31 0.00 0.00 55.95 56.77 2qub s SER 459 Cb -0.14 -1.06 0.15 0.00 0.21 0.00 0.00 66.02 65.18 2qub s SER 459 CO 0.01 0.24 0.82 0.79 0.41 0.00 0.00 173.24 175.50 2qub n TRP 460 N 1.17 -1.81 0.00 2.43 8.01 -1.26 -1.50 117.44 124.47 2qub n TRP 460 Ca -0.14 0.81 0.00 0.00 -1.31 0.00 0.00 57.50 56.86 2qub n TRP 460 Cb 0.52 -3.07 0.00 0.00 -2.01 0.00 0.00 31.31 26.75 2qub n TRP 460 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 2qub n LEU 461 N -4.42 0.00 -0.15 -0.99 4.77 -1.26 -4.35 117.00 110.60 2qub n LEU 461 Ca 0.07 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.10 2qub n LEU 461 Cb 0.49 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 2qub n LEU 461 CO 0.85 0.00 0.12 2.30 -1.33 0.00 0.00 177.39 179.33 2qub n ILE 462 N 0.00 0.00 -3.38 -0.08 -5.35 -1.19 -4.91 119.36 104.45 2qub n ILE 462 Ca 0.00 -0.33 -0.43 0.00 -0.27 0.00 0.00 62.75 61.71 2qub n ILE 462 Cb 0.00 1.08 -0.09 0.00 -1.74 0.00 0.00 39.64 38.89 2qub n ILE 462 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2qub s PHE 463 N -1.66 3.21 0.07 4.28 5.36 -0.56 -4.96 117.98 123.72 2qub s PHE 463 Ca 0.07 -0.63 -0.14 0.00 -0.96 0.00 0.00 56.93 55.27 2qub s PHE 463 Cb 0.08 -2.89 -0.06 0.00 -0.34 0.00 0.00 43.02 39.81 2qub s PHE 463 CO 0.34 -0.71 0.48 -0.80 -1.46 0.00 0.00 175.22 173.07 2qub s ASN 464 N 2.04 6.83 -0.00 6.13 0.01 -1.26 -0.50 114.94 128.19 2qub s ASN 464 Ca 0.07 1.02 -0.08 0.00 -0.71 0.00 0.00 52.86 53.16 2qub s ASN 464 Cb -0.20 -2.27 0.00 0.00 0.41 0.00 0.00 41.25 39.20 2qub s ASN 464 CO 0.10 0.22 0.15 -1.59 -1.51 0.00 0.00 177.10 174.47 2qub s LYS 465 N -1.50 0.48 0.18 -0.60 -2.85 -0.30 -4.99 119.74 110.16 2qub s LYS 465 Ca 0.31 -0.34 -0.28 0.00 -1.00 0.00 0.00 55.97 54.65 2qub s LYS 465 Cb -0.16 0.20 -0.08 0.00 -2.06 0.00 0.00 37.83 35.73 2qub s LYS 465 CO 0.17 -0.11 0.87 -1.21 0.10 0.00 0.00 175.35 175.17 2qub s GLU 466 N -1.28 4.71 -0.09 1.78 0.41 -1.26 -0.90 118.70 122.06 2qub s GLU 466 Ca -0.14 1.33 0.00 0.00 -0.41 0.00 0.00 54.97 55.76 2qub s GLU 466 Cb -0.07 -3.29 0.02 0.00 -1.78 0.00 0.00 34.13 29.01 2qub s GLU 466 CO 0.02 0.49 -0.08 0.08 -0.49 0.00 0.00 175.26 175.27 2qub s VAL 467 N -0.95 0.97 -0.11 2.63 1.01 -0.00 -4.94 120.40 119.00 2qub s VAL 467 Ca 0.40 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 2qub s VAL 467 Cb -0.24 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 2qub s VAL 467 CO 0.29 0.35 0.31 -1.81 0.00 0.00 0.00 175.10 174.23 2qub s ASP 468 N 1.38 6.53 -0.17 3.32 1.01 -1.26 -0.99 116.67 126.49 2qub s ASP 468 Ca -0.02 0.63 0.01 0.00 0.71 0.00 0.00 52.55 53.88 2qub s ASP 468 Cb -0.14 -2.19 0.02 0.00 1.01 0.00 0.00 42.92 41.63 2qub s ASP 468 CO -0.04 0.20 -0.17 -1.00 0.21 0.00 0.00 175.17 174.37 2qub s HIS 469 N -0.16 2.54 0.05 4.23 3.76 0.15 -4.68 115.29 121.19 2qub s HIS 469 Ca 0.18 -1.50 -0.31 0.00 -0.15 0.00 0.00 55.06 53.29 2qub s HIS 469 Cb -0.14 -1.78 -0.06 0.00 1.11 0.00 0.00 32.58 31.70 2qub s HIS 469 CO 0.07 -0.76 1.35 -1.14 -0.85 0.00 0.00 174.74 173.41 2qub s GLN 470 N 1.36 4.33 -0.41 1.40 0.74 0.10 -0.90 119.66 126.28 2qub s GLN 470 Ca 0.04 1.96 -0.26 0.00 0.05 0.00 0.00 55.36 57.15 2qub s GLN 470 Cb -0.13 -3.40 0.02 0.00 1.10 0.00 0.00 33.01 30.59 2qub s GLN 470 CO -0.12 -0.46 0.97 0.08 -0.55 0.00 0.00 175.29 175.21 2qub s VAL 471 N 1.64 4.48 0.18 1.34 1.01 -0.50 -0.87 120.40 127.67 2qub s VAL 471 Ca 0.63 1.09 0.06 0.00 0.00 0.00 0.00 61.98 63.75 2qub s VAL 471 Cb -0.33 -4.41 -0.05 0.00 0.00 0.00 0.00 36.38 31.59 2qub s VAL 471 CO 0.28 -0.70 -0.11 0.42 0.00 0.00 0.00 175.10 174.99 2qub s THR 472 N 3.73 1.39 0.54 3.92 -4.23 -1.03 -4.93 115.64 115.04 2qub s THR 472 Ca 0.40 -2.12 0.24 0.00 -1.18 0.00 0.00 61.69 59.03 2qub s THR 472 Cb -0.11 -1.96 0.36 0.00 1.34 0.00 0.00 72.50 72.14 2qub s THR 472 CO 0.23 -0.66 2.05 0.00 -0.54 0.00 0.00 174.62 175.69 2qub h ALA 473 N 2.67 2.23 0.00 3.99 0.00 -1.96 -2.41 119.26 123.79 2qub h ALA 473 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2qub h ALA 473 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2qub h ALA 473 CO 0.63 -0.44 -1.03 0.00 0.00 0.00 0.00 179.25 178.41 2qub n ALA 474 N -2.54 3.46 0.00 0.00 0.00 -1.26 -4.91 120.51 115.26 2qub n ALA 474 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2qub n ALA 474 Cb 0.44 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2qub n ALA 474 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qub n GLY 475 N 1.38 0.03 3.73 0.00 0.00 -0.91 -4.23 105.19 105.19 2qub n GLY 475 Ca 0.02 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 2qub n GLY 475 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qub s LEU 476 N 0.00 4.49 -0.17 0.99 1.43 0.20 -2.47 118.68 123.15 2qub s LEU 476 Ca 0.00 1.88 -0.01 0.00 -1.03 0.00 0.00 54.13 54.98 2qub s LEU 476 Cb 0.00 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.63 2qub s LEU 476 CO 0.00 -0.13 -0.13 -0.75 0.23 0.00 0.00 176.35 175.57 2qub s LYS 477 N -0.04 3.25 0.00 1.70 2.20 -0.05 -0.21 119.74 126.59 2qub s LYS 477 Ca 0.48 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 2qub s LYS 477 Cb -0.25 -2.71 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 2qub s LYS 477 CO 0.31 -0.04 0.00 0.45 -0.36 0.00 0.00 175.35 175.72 2qub n SER 478 N 4.23 0.24 0.26 1.43 2.88 -0.75 0.02 113.62 121.92 2qub n SER 478 Ca -0.19 -0.97 0.14 0.00 -1.33 0.00 0.00 58.87 56.52 2qub n SER 478 Cb 0.51 0.00 0.64 0.00 -0.75 0.00 0.00 64.21 64.61 2qub n SER 478 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2qub h ASP 479 N 0.00 0.00 1.24 -3.46 3.32 -1.99 -2.83 116.42 112.70 2qub h ASP 479 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qub h ASP 479 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qub h ASP 479 CO 0.00 0.12 -0.40 0.77 -1.72 0.00 0.00 179.24 178.01 2qub h SER 480 N 0.00 0.00 -1.31 6.45 4.64 -1.98 -3.50 113.55 117.85 2qub h SER 480 Ca -0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2qub h SER 480 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2qub h SER 480 CO 0.02 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 2qub n GLY 481 N 1.27 0.76 3.59 -0.77 0.00 -1.07 -5.05 105.19 103.91 2qub n GLY 481 Ca 0.04 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 2qub n GLY 481 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qub s LEU 482 N 0.00 4.10 -0.40 0.99 2.96 -1.26 -1.81 118.68 123.26 2qub s LEU 482 Ca 0.00 0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.87 2qub s LEU 482 Cb 0.00 -2.28 0.04 0.00 0.50 0.00 0.00 46.19 44.45 2qub s LEU 482 CO 0.00 -0.15 0.25 -0.75 -1.32 0.00 0.00 176.35 174.38 2qub s LYS 483 N 1.93 2.82 0.60 1.98 2.20 0.71 -4.95 119.74 125.02 2qub s LYS 483 Ca 0.11 -1.17 -0.18 0.00 -0.36 0.00 0.00 55.97 54.37 2qub s LYS 483 Cb -0.16 -3.82 -0.03 0.00 -1.51 0.00 0.00 37.83 32.31 2qub s LYS 483 CO 0.11 -0.79 1.19 0.00 -0.36 0.00 0.00 175.35 175.49 2qub s ALA 484 N 1.56 2.53 0.34 3.13 0.00 -1.26 -0.63 121.76 127.42 2qub s ALA 484 Ca 0.03 0.93 -0.26 0.00 0.00 0.00 0.00 51.96 52.66 2qub s ALA 484 Cb -0.20 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.39 2qub s ALA 484 CO 0.06 -1.16 0.97 0.71 0.00 0.00 0.00 175.76 176.34 2qub s TYR 485 N -1.71 3.61 -1.42 0.00 2.02 -1.26 -4.86 117.35 113.74 2qub s TYR 485 Ca 0.76 1.75 -0.12 0.00 -0.37 0.00 0.00 57.07 59.09 2qub s TYR 485 Cb -0.28 -2.96 0.07 0.00 -0.40 0.00 0.00 41.96 38.38 2qub s TYR 485 CO 0.33 0.05 2.18 0.00 -1.57 0.00 0.00 175.55 176.55 2qub n ALA 486 N 0.44 5.68 -3.42 3.71 0.00 -1.26 -4.88 120.51 120.78 2qub n ALA 486 Ca 0.02 -3.99 -0.14 0.00 0.00 0.00 0.00 53.44 49.33 2qub n ALA 486 Cb 0.50 -3.34 -0.04 0.00 0.00 0.00 0.00 19.45 16.57 2qub n ALA 486 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qub s ALA 487 N 2.17 -1.60 -0.19 0.00 0.00 -1.26 -1.13 121.76 119.75 2qub s ALA 487 Ca 0.47 0.78 -0.05 0.00 0.00 0.00 0.00 51.96 53.15 2qub s ALA 487 Cb 0.13 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 2qub s ALA 487 CO -0.06 -0.59 0.00 0.00 0.00 0.00 0.00 175.76 175.12 2qub s ALA 488 N -2.66 3.07 -0.19 0.00 0.00 -1.09 -5.02 121.76 115.88 2qub s ALA 488 Ca -0.04 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2qub s ALA 488 Cb -0.01 -1.75 0.03 0.00 0.00 0.00 0.00 23.12 21.39 2qub s ALA 488 CO -0.03 -0.04 -0.17 0.99 0.00 0.00 0.00 175.76 176.51 2qub s THR 489 N 0.81 2.00 0.00 0.00 2.01 -1.26 -2.01 115.64 117.18 2qub s THR 489 Ca 0.01 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.96 2qub s THR 489 Cb -0.14 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.48 2qub s THR 489 CO 0.02 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 2qub n GLY 490 N 4.60 -0.21 0.00 4.40 0.00 -0.32 -5.02 105.19 108.65 2qub n GLY 490 Ca -0.19 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2qub n GLY 490 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qub n GLY 491 N 5.00 4.24 0.57 -0.02 0.00 -1.25 -4.76 105.19 108.97 2qub n GLY 491 Ca 0.00 -1.41 0.36 0.00 0.00 0.00 0.00 46.02 44.97 2qub n GLY 491 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qub h ASP 492 N 0.00 0.00 -4.19 1.61 3.32 -1.86 -3.37 116.42 111.93 2qub h ASP 492 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 2qub h ASP 492 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 2qub h ASP 492 CO 0.00 0.00 0.29 -0.83 -1.72 0.00 0.00 179.24 176.98 2qub s GLY 493 N -3.72 1.59 -1.10 2.75 0.00 -1.26 -3.52 107.32 102.05 2qub s GLY 493 Ca -0.04 -0.41 -0.21 0.00 0.00 0.00 0.00 44.72 44.06 2qub s GLY 493 CO 0.67 0.13 1.53 0.99 0.00 0.00 0.00 173.10 176.41 2qub s ASP 494 N -3.89 6.61 0.28 1.64 1.01 -1.26 -4.42 116.67 116.65 2qub s ASP 494 Ca 0.63 -1.79 -0.15 0.00 0.71 0.00 0.00 52.55 51.95 2qub s ASP 494 Cb -0.15 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.13 2qub s ASP 494 CO 0.54 -1.38 0.70 -1.81 0.21 0.00 0.00 175.17 173.43 2qub s ASP 495 N 4.69 6.82 -0.31 0.27 1.01 -1.26 -4.88 116.67 123.01 2qub s ASP 495 Ca 0.48 1.26 -0.08 0.00 0.71 0.00 0.00 52.55 54.92 2qub s ASP 495 Cb 0.01 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.59 2qub s ASP 495 CO -0.04 -0.12 0.12 -0.69 0.21 0.00 0.00 175.17 174.64 2qub s VAL 496 N -1.84 4.23 -0.27 -1.27 1.01 -1.26 -0.34 120.40 120.66 2qub s VAL 496 Ca 0.50 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 2qub s VAL 496 Cb -0.12 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 33.08 2qub s VAL 496 CO 0.19 0.01 -0.04 -0.76 0.00 0.00 0.00 175.10 174.50 2qub s LEU 497 N 1.54 3.49 -0.26 3.92 1.43 0.05 -4.99 118.68 123.85 2qub s LEU 497 Ca 0.03 -1.07 -0.10 0.00 -1.03 0.00 0.00 54.13 51.96 2qub s LEU 497 Cb -0.18 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2qub s LEU 497 CO 0.04 -0.18 0.15 -1.58 0.23 0.00 0.00 176.35 175.00 2qub s GLN 498 N 1.28 3.92 0.37 1.70 0.74 -1.26 -0.67 119.66 125.73 2qub s GLN 498 Ca -0.03 -0.34 -0.28 0.00 0.05 0.00 0.00 55.36 54.76 2qub s GLN 498 Cb -0.18 -3.52 -0.11 0.00 1.10 0.00 0.00 33.01 30.29 2qub s GLN 498 CO -0.03 -0.08 1.51 0.00 -0.55 0.00 0.00 175.29 176.14 2qub s ALA 499 N 1.44 3.60 0.52 1.58 0.00 -0.76 -4.99 121.76 123.15 2qub s ALA 499 Ca 0.07 1.60 -0.00 0.00 0.00 0.00 0.00 51.96 53.62 2qub s ALA 499 Cb -0.15 -3.62 0.02 0.00 0.00 0.00 0.00 23.12 19.36 2qub s ALA 499 CO 0.07 -1.08 0.75 1.03 0.00 0.00 0.00 175.76 176.53 2qub s ARG 500 N -1.90 2.79 0.40 0.00 0.52 -1.26 -4.84 118.95 114.65 2qub s ARG 500 Ca 0.54 -0.56 0.17 0.00 -0.52 0.00 0.00 55.73 55.36 2qub s ARG 500 Cb -0.47 -2.49 1.07 0.00 0.52 0.00 0.00 34.95 33.58 2qub s ARG 500 CO 0.62 -0.54 1.79 0.66 0.02 0.00 0.00 175.30 177.85 2qub h SER 501 N 0.16 0.46 -0.32 0.23 4.64 -2.03 -1.33 113.55 115.37 2qub h SER 501 Ca -0.44 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2qub h SER 501 Cb 1.27 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2qub h SER 501 CO 0.55 0.12 0.00 1.41 -0.87 0.00 0.00 176.83 178.05 2qub n HIS 502 N -4.60 0.81 -2.39 4.77 8.25 -1.26 -4.98 115.22 115.82 2qub n HIS 502 Ca 0.24 -0.72 -0.41 0.00 -0.26 0.00 0.00 57.72 56.57 2qub n HIS 502 Cb 0.81 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.68 2qub n HIS 502 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qub s ASP 503 N -1.50 7.10 -0.01 0.41 1.01 -0.50 -4.75 116.67 118.44 2qub s ASP 503 Ca 0.35 2.22 0.09 0.00 0.71 0.00 0.00 52.55 55.93 2qub s ASP 503 Cb 0.26 -2.61 -0.13 0.00 1.01 0.00 0.00 42.92 41.45 2qub s ASP 503 CO 0.12 -0.36 0.24 0.00 0.21 0.00 0.00 175.17 175.39 2qub n ALA 504 N 2.47 2.51 -2.86 5.23 0.00 -0.28 -4.88 120.51 122.71 2qub n ALA 504 Ca 0.04 -0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 2qub n ALA 504 Cb 0.45 -0.32 -0.13 0.00 0.00 0.00 0.00 19.45 19.44 2qub n ALA 504 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qub s TRP 505 N -2.48 0.24 -0.12 0.00 0.52 -1.17 -1.52 118.94 114.41 2qub s TRP 505 Ca -0.02 -0.17 0.03 0.00 0.02 0.00 0.00 56.10 55.96 2qub s TRP 505 Cb 0.06 -0.16 0.01 0.00 -1.15 0.00 0.00 33.47 32.23 2qub s TRP 505 CO 0.38 -0.04 -0.20 -0.51 0.02 0.00 0.00 176.95 176.60 2qub s LEU 506 N -0.45 1.98 -0.41 2.99 1.43 -0.62 -2.66 118.68 120.93 2qub s LEU 506 Ca -0.03 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2qub s LEU 506 Cb -0.03 -1.31 0.11 0.00 0.03 0.00 0.00 46.19 44.99 2qub s LEU 506 CO -0.00 0.08 0.15 -0.36 0.23 0.00 0.00 176.35 176.44 2qub s PHE 507 N 0.76 3.56 0.40 0.29 0.08 -0.85 -1.50 117.98 120.72 2qub s PHE 507 Ca -0.10 -2.98 0.11 0.00 0.12 0.00 0.00 56.93 54.08 2qub s PHE 507 Cb -0.16 -2.95 0.85 0.00 -0.57 0.00 0.00 43.02 40.19 2qub s PHE 507 CO 0.01 -0.89 1.94 0.78 -0.10 0.00 0.00 175.22 176.96 2qub h GLY 508 N 7.31 0.20 0.00 4.36 0.00 -1.45 -0.83 103.07 112.65 2qub h GLY 508 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2qub h GLY 508 CO 0.60 0.11 0.00 0.70 0.00 0.00 0.00 176.54 177.95 2qub n ASN 509 N -4.30 -1.23 -3.21 0.19 3.02 -1.17 -3.83 115.26 104.73 2qub n ASN 509 Ca -0.01 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.33 2qub n ASN 509 Cb 0.25 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.62 2qub n ASN 509 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qub n ALA 510 N 3.72 -3.59 -0.74 5.41 0.00 -1.26 -3.76 120.51 120.30 2qub n ALA 510 Ca 0.00 -1.05 0.09 0.00 0.00 0.00 0.00 53.44 52.49 2qub n ALA 510 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 2qub n ALA 510 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qub n GLY 511 N -3.71 -2.60 3.53 0.00 0.00 -1.23 -4.63 105.19 96.54 2qub n GLY 511 Ca 0.09 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 2qub n GLY 511 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qub s ASN 512 N -5.95 6.22 0.14 1.61 0.01 -1.26 -4.23 114.94 111.48 2qub s ASN 512 Ca 0.00 -0.50 0.04 0.00 -0.71 0.00 0.00 52.86 51.69 2qub s ASN 512 Cb 0.00 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 2qub s ASN 512 CO 0.00 -1.61 0.12 -1.81 -1.51 0.00 0.00 177.10 172.29 2qub s ASP 513 N 3.51 5.54 -0.23 -1.22 1.01 -1.24 -3.99 116.67 120.05 2qub s ASP 513 Ca 0.32 -0.08 -0.01 0.00 0.71 0.00 0.00 52.55 53.49 2qub s ASP 513 Cb -0.11 -1.47 0.03 0.00 1.01 0.00 0.00 42.92 42.38 2qub s ASP 513 CO 0.16 0.10 -0.09 -0.89 0.21 0.00 0.00 175.17 174.66 2qub s THR 514 N -1.63 2.68 -0.28 -1.27 2.01 0.53 -0.03 115.64 117.65 2qub s THR 514 Ca 0.30 -1.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.21 2qub s THR 514 Cb -0.11 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.08 2qub s THR 514 CO 0.23 0.26 0.07 -0.76 -0.69 0.00 0.00 174.62 173.73 2qub s LEU 515 N 1.31 3.71 -0.19 4.42 1.02 -0.28 -0.77 118.68 127.90 2qub s LEU 515 Ca 0.01 -0.61 -0.05 0.00 0.02 0.00 0.00 54.13 53.50 2qub s LEU 515 Cb -0.16 -1.87 -0.03 0.00 0.02 0.00 0.00 46.19 44.15 2qub s LEU 515 CO -0.06 -0.15 -0.01 -0.63 0.02 0.00 0.00 176.35 175.52 2qub s ILE 516 N 1.51 3.97 0.35 -0.59 1.01 0.15 -1.07 121.20 126.54 2qub s ILE 516 Ca 0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.32 2qub s ILE 516 Cb -0.17 -2.78 0.08 0.00 0.01 0.00 0.00 42.46 39.60 2qub s ILE 516 CO 0.02 0.45 0.47 0.61 0.00 0.00 0.00 174.94 176.49 2qub n GLY 517 N 4.01 -0.93 3.25 6.18 0.00 -0.71 -1.83 105.19 115.15 2qub n GLY 517 Ca -0.17 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 2qub n GLY 517 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2qub s HIS 518 N -1.90 1.26 0.44 1.61 -3.43 -1.26 -4.65 115.29 107.36 2qub s HIS 518 Ca 0.27 -1.05 0.17 0.00 -0.80 0.00 0.00 55.06 53.66 2qub s HIS 518 Cb -0.01 -0.72 1.11 0.00 -1.43 0.00 0.00 32.58 31.53 2qub s HIS 518 CO 0.19 -0.24 1.92 0.00 -2.00 0.00 0.00 174.74 174.61 2qub h ALA 519 N 2.64 2.19 0.00 -1.38 0.00 -1.99 -1.46 119.26 119.27 2qub h ALA 519 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2qub h ALA 519 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qub h ALA 519 CO 0.62 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.88 2qub n GLY 520 N -1.54 -1.16 7.00 0.00 0.00 -1.26 -4.56 105.19 103.67 2qub n GLY 520 Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2qub n GLY 520 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qub n GLY 521 N -0.26 1.73 2.73 -0.02 0.00 -0.55 -4.74 105.19 104.08 2qub n GLY 521 Ca 0.02 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 2qub n GLY 521 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qub n ASN 522 N -0.94 -4.75 -4.60 1.61 5.03 -0.59 -4.88 115.26 106.14 2qub n ASN 522 Ca 0.00 -0.06 -0.32 0.00 0.87 0.00 0.00 54.58 55.06 2qub n ASN 522 Cb 0.00 -3.94 -0.10 0.00 -1.02 0.00 0.00 39.78 34.71 2qub n ASN 522 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2qub s LEU 523 N -6.09 3.20 -0.29 3.41 2.96 -1.26 -4.87 118.68 115.74 2qub s LEU 523 Ca 0.14 -0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 2qub s LEU 523 Cb -0.07 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 2qub s LEU 523 CO 0.17 0.30 0.12 -0.89 -1.32 0.00 0.00 176.35 174.73 2qub s THR 524 N -0.97 4.45 -0.21 3.68 2.01 -0.58 -1.34 115.64 122.69 2qub s THR 524 Ca 0.16 -0.35 -0.14 0.00 0.31 0.00 0.00 61.69 61.68 2qub s THR 524 Cb -0.11 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 2qub s THR 524 CO 0.07 0.17 0.31 -0.36 -0.69 0.00 0.00 174.62 174.11 2qub s PHE 525 N 1.61 3.37 -0.43 4.92 0.08 0.12 -1.59 117.98 126.05 2qub s PHE 525 Ca 0.05 0.49 0.02 0.00 0.12 0.00 0.00 56.93 57.62 2qub s PHE 525 Cb -0.16 -2.42 0.15 0.00 -0.57 0.00 0.00 43.02 40.01 2qub s PHE 525 CO 0.05 0.05 0.27 0.08 -0.10 0.00 0.00 175.22 175.57 2qub s VAL 526 N 1.10 0.98 0.48 -0.44 1.01 -0.56 -1.11 120.40 121.87 2qub s VAL 526 Ca 0.15 -2.47 0.26 0.00 0.00 0.00 0.00 61.98 59.92 2qub s VAL 526 Cb -0.14 -1.69 0.30 0.00 0.00 0.00 0.00 36.38 34.85 2qub s VAL 526 CO 0.06 -0.99 2.13 1.23 0.00 0.00 0.00 175.10 177.53 2qub h GLY 527 N 6.51 0.00 0.00 4.51 0.00 -1.80 -1.79 103.07 110.51 2qub h GLY 527 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2qub h GLY 527 CO 0.42 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.57 2qub n GLY 528 N -0.98 0.04 2.15 4.60 0.00 -1.26 -3.07 105.19 106.67 2qub n GLY 528 Ca -0.02 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 2qub n GLY 528 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qub n SER 529 N -1.38 -3.15 -0.97 1.61 3.41 -1.25 -4.61 113.62 107.28 2qub n SER 529 Ca 0.00 -0.65 0.13 0.00 -0.26 0.00 0.00 58.87 58.09 2qub n SER 529 Cb 0.00 -0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 63.24 2qub n SER 529 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qub n GLY 530 N -3.59 -2.28 3.49 5.00 0.00 -1.26 -4.37 105.19 102.18 2qub n GLY 530 Ca 0.09 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 2qub n GLY 530 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qub s ASP 531 N -6.30 6.19 0.16 1.61 1.01 -1.26 -4.07 116.67 114.01 2qub s ASP 531 Ca 0.00 -0.63 0.08 0.00 0.71 0.00 0.00 52.55 52.71 2qub s ASP 531 Cb 0.00 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 2qub s ASP 531 CO 0.00 -0.54 -0.09 -1.81 0.21 0.00 0.00 175.17 172.93 2qub s ASP 532 N 1.79 4.30 -0.17 0.27 1.01 -1.22 -3.69 116.67 118.96 2qub s ASP 532 Ca 0.12 -0.52 -0.04 0.00 0.71 0.00 0.00 52.55 52.81 2qub s ASP 532 Cb -0.17 -0.76 -0.03 0.00 1.01 0.00 0.00 42.92 42.97 2qub s ASP 532 CO 0.13 0.12 -0.02 -0.63 0.21 0.00 0.00 175.17 174.98 2qub s ILE 533 N -1.56 3.95 -0.24 0.77 1.01 0.95 -1.72 121.20 124.37 2qub s ILE 533 Ca 0.24 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.57 2qub s ILE 533 Cb -0.09 -2.75 0.04 0.00 0.01 0.00 0.00 42.46 39.66 2qub s ILE 533 CO 0.15 0.47 -0.11 -0.76 0.00 0.00 0.00 174.94 174.68 2qub s LEU 534 N 0.59 3.01 -0.69 2.97 1.43 -0.23 -1.13 118.68 124.64 2qub s LEU 534 Ca -0.02 -1.00 -0.10 0.00 -1.03 0.00 0.00 54.13 51.98 2qub s LEU 534 Cb -0.14 -1.58 0.18 0.00 0.03 0.00 0.00 46.19 44.68 2qub s LEU 534 CO 0.02 -0.12 0.58 -0.54 0.23 0.00 0.00 176.35 176.53 2qub s LYS 535 N 1.24 3.07 0.24 1.70 1.02 -0.23 -0.55 119.74 126.22 2qub s LYS 535 Ca -0.02 -2.33 -0.30 0.00 0.02 0.00 0.00 55.97 53.34 2qub s LYS 535 Cb -0.17 -4.12 -0.09 0.00 -0.52 0.00 0.00 37.83 32.93 2qub s LYS 535 CO -0.07 -1.24 1.13 0.20 -0.92 0.00 0.00 175.35 174.45 2qub s GLY 536 N 1.86 2.92 -0.03 -3.33 0.00 -0.10 -1.74 107.32 106.89 2qub s GLY 536 Ca 0.15 0.90 0.01 0.00 0.00 0.00 0.00 44.72 45.78 2qub s GLY 536 CO -0.05 1.63 -0.05 0.14 0.00 0.00 0.00 173.10 174.77 2qub s VAL 537 N -0.68 0.53 0.00 1.40 1.01 -1.26 -4.43 120.40 116.96 2qub s VAL 537 Ca 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2qub s VAL 537 Cb -0.32 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2qub s VAL 537 CO 0.39 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2qub n GLY 538 N 3.78 0.40 3.47 4.51 0.00 -1.26 -3.86 105.19 112.23 2qub n GLY 538 Ca -0.23 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 2qub n GLY 538 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qub s ASN 539 N -4.00 3.46 -0.19 1.61 -0.87 -1.26 -4.78 114.94 108.91 2qub s ASN 539 Ca 0.00 -1.08 0.00 0.00 -1.57 0.00 0.00 52.86 50.21 2qub s ASN 539 Cb 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 41.25 40.94 2qub s ASN 539 CO 0.00 -0.07 0.00 0.61 -2.57 0.00 0.00 177.10 175.07 2qub n GLY 540 N -0.63 0.53 3.82 0.66 0.00 -1.24 -1.55 105.19 106.79 2qub n GLY 540 Ca -0.05 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 2qub n GLY 540 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qub s ASN 541 N -2.77 6.71 -0.07 1.61 0.01 -1.26 -3.79 114.94 115.38 2qub s ASN 541 Ca 0.00 1.70 0.05 0.00 -0.71 0.00 0.00 52.86 53.90 2qub s ASN 541 Cb 0.00 -2.53 -0.00 0.00 0.41 0.00 0.00 41.25 39.12 2qub s ASN 541 CO 0.00 -0.52 -0.22 -0.89 -1.51 0.00 0.00 177.10 173.95 2qub s THR 542 N -2.28 1.88 -0.25 1.60 2.01 -0.45 -1.60 115.64 116.57 2qub s THR 542 Ca 0.62 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.65 2qub s THR 542 Cb -0.11 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.81 2qub s THR 542 CO 0.20 0.52 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.24 2qub s PHE 543 N 0.11 3.05 -0.15 4.92 0.08 -0.44 -0.70 117.98 124.85 2qub s PHE 543 Ca -0.10 -1.46 -0.01 0.00 0.12 0.00 0.00 56.93 55.48 2qub s PHE 543 Cb -0.15 -2.07 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 2qub s PHE 543 CO 0.05 -0.70 -0.10 -1.17 -0.10 0.00 0.00 175.22 173.20 2qub s LEU 544 N 1.35 2.82 -0.02 -0.37 2.96 -0.26 -1.40 118.68 123.76 2qub s LEU 544 Ca 0.01 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2qub s LEU 544 Cb -0.16 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.88 2qub s LEU 544 CO -0.04 0.14 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.73 2qub s PHE 545 N 0.54 0.47 -0.03 5.38 0.08 -0.14 -4.48 117.98 119.79 2qub s PHE 545 Ca -0.07 -0.09 -0.05 0.00 0.12 0.00 0.00 56.93 56.84 2qub s PHE 545 Cb -0.15 -0.38 0.01 0.00 -0.57 0.00 0.00 43.02 41.92 2qub s PHE 545 CO 0.03 -0.07 0.12 0.45 -0.10 0.00 0.00 175.22 175.65 2qub s SER 546 N 0.34 -0.06 1.17 1.36 0.15 -1.26 -1.32 113.70 114.09 2qub s SER 546 Ca -0.04 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.68 2qub s SER 546 Cb -0.07 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2qub s SER 546 CO -0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2qub n GLY 547 N 2.45 3.06 3.47 9.45 0.00 -0.78 -4.03 105.19 118.82 2qub n GLY 547 Ca -0.16 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 2qub n GLY 547 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qub s ASP 548 N -4.00 6.34 -0.03 1.61 1.01 -1.26 -4.63 116.67 115.71 2qub s ASP 548 Ca 0.00 -1.30 0.19 0.00 0.71 0.00 0.00 52.55 52.14 2qub s ASP 548 Cb 0.00 -2.44 0.58 0.00 1.01 0.00 0.00 42.92 42.07 2qub s ASP 548 CO 0.00 -1.38 1.49 2.22 0.21 0.00 0.00 175.17 177.71 2qub n PHE 549 N 7.66 0.97 -4.54 4.23 1.16 -1.26 -4.58 117.46 121.10 2qub n PHE 549 Ca 0.09 -0.54 0.00 0.00 -1.87 0.00 0.00 57.45 55.13 2qub n PHE 549 Cb 0.47 -0.07 0.00 0.00 -1.61 0.00 0.00 39.48 38.27 2qub n PHE 549 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2qub n GLY 550 N 1.17 -0.11 3.14 4.97 0.00 -1.26 -4.45 105.19 108.66 2qub n GLY 550 Ca 0.22 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 2qub n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qub s ARG 551 N 0.00 2.34 0.30 1.61 0.52 -1.26 -1.51 118.95 120.95 2qub s ARG 551 Ca 0.00 -1.33 0.07 0.00 -0.52 0.00 0.00 55.73 53.95 2qub s ARG 551 Cb 0.00 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 2qub s ARG 551 CO 0.00 -0.64 0.33 -0.51 0.02 0.00 0.00 175.30 174.50 2qub s ASP 552 N 1.24 5.73 -0.06 0.23 1.11 -0.21 -3.43 116.67 121.28 2qub s ASP 552 Ca -0.05 -0.25 0.04 0.00 0.18 0.00 0.00 52.55 52.48 2qub s ASP 552 Cb -0.20 -1.31 -0.00 0.00 1.07 0.00 0.00 42.92 42.48 2qub s ASP 552 CO -0.02 -0.25 -0.19 -1.10 1.18 0.00 0.00 175.17 174.78 2qub s GLN 553 N -4.01 2.22 -0.21 8.23 -0.21 -0.70 -1.73 119.66 123.26 2qub s GLN 553 Ca 0.39 -0.69 0.01 0.00 0.02 0.00 0.00 55.36 55.09 2qub s GLN 553 Cb -0.08 -1.82 0.04 0.00 1.00 0.00 0.00 33.01 32.15 2qub s GLN 553 CO 0.28 0.21 -0.14 -1.17 -2.12 0.00 0.00 175.29 172.35 2qub s LEU 554 N 0.20 2.54 -0.08 2.90 0.20 0.17 -1.06 118.68 123.55 2qub s LEU 554 Ca -0.10 -0.94 -0.04 0.00 0.69 0.00 0.00 54.13 53.74 2qub s LEU 554 Cb -0.14 -1.40 -0.04 0.00 -0.43 0.00 0.00 46.19 44.18 2qub s LEU 554 CO 0.04 -0.11 0.11 -0.31 -0.29 0.00 0.00 176.35 175.79 2qub s TYR 555 N 1.28 3.45 0.00 5.38 2.02 0.29 -0.99 117.35 128.78 2qub s TYR 555 Ca -0.01 0.39 0.00 0.00 -0.37 0.00 0.00 57.07 57.08 2qub s TYR 555 Cb -0.16 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 39.53 2qub s TYR 555 CO -0.09 0.64 0.00 0.41 -1.57 0.00 0.00 175.55 174.94 2qub n GLY 556 N 1.79 0.52 3.77 0.71 0.00 -1.26 -0.92 105.19 109.80 2qub n GLY 556 Ca -0.18 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 2qub n GLY 556 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qub s PHE 557 N -2.00 2.59 0.21 1.61 5.36 -1.26 -4.75 117.98 119.73 2qub s PHE 557 Ca 0.00 1.23 -0.12 0.00 -0.96 0.00 0.00 56.93 57.08 2qub s PHE 557 Cb 0.00 -3.95 -0.00 0.00 -0.34 0.00 0.00 43.02 38.73 2qub s PHE 557 CO 0.00 -2.85 0.41 0.54 -1.46 0.00 0.00 175.22 171.86 2qub s ASN 558 N -0.32 -0.07 0.54 6.13 2.20 -1.26 -5.01 114.94 117.15 2qub s ASN 558 Ca 0.55 -0.85 0.18 0.00 -0.94 0.00 0.00 52.86 51.80 2qub s ASN 558 Cb -0.45 0.53 0.98 0.00 -2.00 0.00 0.00 41.25 40.31 2qub s ASN 558 CO 0.59 -1.03 1.50 0.00 -2.94 0.00 0.00 177.10 175.23 2qub h ALA 559 N 2.36 1.41 0.00 3.54 0.00 -1.95 0.56 119.26 125.17 2qub h ALA 559 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qub h ALA 559 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2qub h ALA 559 CO 0.41 -0.41 -0.65 -1.13 0.00 0.00 0.00 179.25 177.47 2qub n SER 560 N -2.49 0.59 -4.94 0.00 3.41 -1.26 -4.96 113.62 103.97 2qub n SER 560 Ca -0.01 -0.22 -0.25 0.00 -0.26 0.00 0.00 58.87 58.14 2qub n SER 560 Cb 0.49 0.37 0.02 0.00 -0.26 0.00 0.00 64.21 64.83 2qub n SER 560 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2qub s ASP 561 N -3.40 5.77 0.02 4.04 1.01 0.19 -3.61 116.67 120.70 2qub s ASP 561 Ca 0.09 0.48 0.02 0.00 0.71 0.00 0.00 52.55 53.85 2qub s ASP 561 Cb 0.16 -1.64 -0.01 0.00 1.01 0.00 0.00 42.92 42.44 2qub s ASP 561 CO 0.73 -0.83 -0.07 -0.75 0.21 0.00 0.00 175.17 174.47 2qub s LYS 562 N -4.73 0.51 -0.11 8.23 2.20 -0.62 -4.83 119.74 120.39 2qub s LYS 562 Ca 0.50 -0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 55.64 2qub s LYS 562 Cb -0.10 -0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 35.79 2qub s LYS 562 CO 0.41 0.10 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.92 2qub s LEU 563 N -0.79 3.11 -0.12 5.43 1.43 0.15 -1.33 118.68 126.55 2qub s LEU 563 Ca -0.03 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2qub s LEU 563 Cb -0.06 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.49 2qub s LEU 563 CO 0.00 0.26 -0.06 -0.69 0.23 0.00 0.00 176.35 176.09 2qub s VAL 564 N -0.20 0.97 -0.17 -1.59 1.01 -0.50 -1.06 120.40 118.87 2qub s VAL 564 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2qub s VAL 564 Cb -0.13 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.20 2qub s VAL 564 CO 0.03 0.29 -0.16 -0.36 0.00 0.00 0.00 175.10 174.89 2qub s PHE 565 N 1.72 2.79 -0.14 5.22 0.08 0.12 -0.97 117.98 126.79 2qub s PHE 565 Ca 0.04 -1.23 -0.00 0.00 0.12 0.00 0.00 56.93 55.85 2qub s PHE 565 Cb -0.13 -1.92 0.03 0.00 -0.57 0.00 0.00 43.02 40.43 2qub s PHE 565 CO -0.08 -0.60 -0.08 0.42 -0.10 0.00 0.00 175.22 174.79 2qub s ILE 566 N 1.04 1.19 -0.91 0.64 1.01 -0.43 -0.79 121.20 122.95 2qub s ILE 566 Ca -0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.11 2qub s ILE 566 Cb -0.15 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.07 2qub s ILE 566 CO -0.04 0.28 0.76 0.61 0.00 0.00 0.00 174.94 176.55 2qub n GLY 567 N 4.87 -0.16 3.82 6.18 0.00 -0.59 -2.74 105.19 116.56 2qub n GLY 567 Ca -0.13 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 2qub n GLY 567 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qub s THR 568 N -3.27 3.38 0.45 2.61 -4.23 -1.26 -1.87 115.64 111.46 2qub s THR 568 Ca 0.02 -1.47 -0.25 0.00 -1.18 0.00 0.00 61.69 58.81 2qub s THR 568 Cb -0.01 -3.12 -0.09 0.00 1.34 0.00 0.00 72.50 70.62 2qub s THR 568 CO 0.55 -0.18 1.31 -0.62 -0.54 0.00 0.00 174.62 175.14 2qub n GLU 569 N -1.30 1.93 0.00 3.99 1.02 -1.26 -4.84 120.64 120.17 2qub n GLU 569 Ca -0.02 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 2qub n GLU 569 Cb 0.60 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 2qub n GLU 569 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qub n GLY 570 N 0.77 1.88 0.01 0.62 0.00 -1.26 -4.88 105.19 102.33 2qub n GLY 570 Ca 0.07 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.51 2qub n GLY 570 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qub n ALA 571 N 1.81 3.03 -1.77 4.61 0.00 -1.26 -4.82 120.51 122.11 2qub n ALA 571 Ca 0.00 -0.40 -0.40 0.00 0.00 0.00 0.00 53.44 52.64 2qub n ALA 571 Cb 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 2qub n ALA 571 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qub s SER 572 N -3.43 6.74 0.00 0.00 0.15 -1.26 -4.94 113.70 110.96 2qub s SER 572 Ca -0.02 2.51 0.22 0.00 0.70 0.00 0.00 55.95 59.35 2qub s SER 572 Cb 0.11 -2.63 0.58 0.00 -1.71 0.00 0.00 66.02 62.36 2qub s SER 572 CO 0.66 -0.54 1.49 0.61 1.20 0.00 0.00 173.24 176.66 2qub n GLY 573 N 0.81 2.35 3.29 9.45 0.00 -1.26 -4.86 105.19 114.97 2qub n GLY 573 Ca 0.01 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 2qub n GLY 573 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qub s ASN 574 N -1.10 5.18 0.62 1.61 3.84 -1.26 -4.84 114.94 118.99 2qub s ASN 574 Ca 0.45 -0.98 0.36 0.00 0.21 0.00 0.00 52.86 52.90 2qub s ASN 574 Cb 0.24 -1.86 2.07 0.00 -0.55 0.00 0.00 41.25 41.15 2qub s ASN 574 CO 0.32 -0.27 2.30 -0.29 -2.79 0.00 0.00 177.10 176.37 2qub h ILE 575 N 6.08 0.30 0.00 -5.21 6.09 -1.98 -1.50 117.51 121.28 2qub h ILE 575 Ca -0.26 -0.03 -0.03 0.00 -1.37 0.00 0.00 64.86 63.16 2qub h ILE 575 Cb 1.10 1.02 -0.00 0.00 0.47 0.00 0.00 36.82 39.41 2qub h ILE 575 CO 0.60 0.01 -0.13 0.03 -3.07 0.00 0.00 178.15 175.58 2qub h ARG 576 N 0.00 0.00 0.00 2.19 3.08 -1.96 -1.82 114.38 115.88 2qub h ARG 576 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qub h ARG 576 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2qub h ARG 576 CO 0.00 0.13 0.00 -0.25 -1.07 0.00 0.00 179.97 178.78 2qub n ASP 577 N -3.59 0.55 -0.26 7.04 8.00 -0.56 -2.74 116.55 124.99 2qub n ASP 577 Ca -0.01 0.62 0.10 0.00 0.71 0.00 0.00 54.79 56.21 2qub n ASP 577 Cb 0.26 -0.75 -0.05 0.00 -0.02 0.00 0.00 41.12 40.57 2qub n ASP 577 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2qub n TYR 578 N -2.10 0.00 -3.84 1.24 4.01 -0.69 -5.01 117.16 110.77 2qub n TYR 578 Ca 0.03 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.40 2qub n TYR 578 Cb 0.24 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.21 2qub n TYR 578 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qub s ALA 579 N -2.53 3.85 -0.03 -0.72 0.00 -1.11 -1.16 121.76 120.06 2qub s ALA 579 Ca 0.13 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 2qub s ALA 579 Cb 0.16 -2.02 0.03 0.00 0.00 0.00 0.00 23.12 21.29 2qub s ALA 579 CO 0.64 0.55 0.01 0.95 0.00 0.00 0.00 175.76 177.91 2qub s THR 580 N -0.84 0.13 -0.26 0.00 -4.23 -0.70 -5.02 115.64 104.72 2qub s THR 580 Ca 0.14 0.14 -0.29 0.00 -1.18 0.00 0.00 61.69 60.51 2qub s THR 580 Cb -0.12 -0.25 0.01 0.00 1.34 0.00 0.00 72.50 73.47 2qub s THR 580 CO 0.04 0.15 1.13 -1.58 -0.54 0.00 0.00 174.62 173.81 2qub s GLN 581 N 1.21 4.15 -0.78 3.99 2.00 -1.26 -1.89 119.66 127.08 2qub s GLN 581 Ca -0.07 1.31 0.03 0.00 -2.00 0.00 0.00 55.36 54.62 2qub s GLN 581 Cb -0.13 -3.73 0.21 0.00 0.80 0.00 0.00 33.01 30.16 2qub s GLN 581 CO -0.02 -0.80 0.70 0.94 -0.50 0.00 0.00 175.29 175.61 2qub n GLN 582 N 6.69 2.41 0.00 1.67 7.27 0.70 -4.99 117.38 131.13 2qub n GLN 582 Ca 0.13 -4.54 0.00 0.00 0.07 0.00 0.00 57.00 52.66 2qub n GLN 582 Cb 0.46 -2.33 0.00 0.00 2.41 0.00 0.00 30.24 30.78 2qub n GLN 582 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2qub n ASN 583 N 1.76 0.00 -0.57 1.69 3.02 -1.26 -2.58 115.26 117.33 2qub n ASN 583 Ca 0.23 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.92 2qub n ASN 583 Cb 0.37 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 39.98 2qub n ASN 583 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qub n ASP 584 N 9.25 1.77 -4.49 6.41 9.92 -1.26 -4.90 116.55 133.24 2qub n ASP 584 Ca 0.00 -1.60 -0.30 0.00 -0.53 0.00 0.00 54.79 52.36 2qub n ASP 584 Cb 0.00 -0.01 -0.12 0.00 -0.64 0.00 0.00 41.12 40.35 2qub n ASP 584 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2qub s ASP 585 N -1.96 3.94 -0.24 -2.24 1.01 -1.07 -2.26 116.67 113.86 2qub s ASP 585 Ca 0.36 -0.45 -0.07 0.00 0.71 0.00 0.00 52.55 53.11 2qub s ASP 585 Cb 0.21 -0.64 -0.02 0.00 1.01 0.00 0.00 42.92 43.47 2qub s ASP 585 CO 0.32 0.22 0.05 -0.22 0.21 0.00 0.00 175.17 175.75 2qub s LEU 586 N -1.75 3.34 -0.24 1.23 2.96 -0.63 -0.21 118.68 123.38 2qub s LEU 586 Ca 0.17 -0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 53.76 2qub s LEU 586 Cb -0.11 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 2qub s LEU 586 CO 0.08 -0.02 0.08 -0.69 -1.32 0.00 0.00 176.35 174.48 2qub s VAL 587 N 1.54 4.53 -0.40 1.68 1.01 -0.79 -0.48 120.40 127.49 2qub s VAL 587 Ca 0.06 -0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 2qub s VAL 587 Cb -0.15 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.15 2qub s VAL 587 CO 0.02 0.35 0.26 -0.76 0.00 0.00 0.00 175.10 174.98 2qub s LEU 588 N 1.37 4.95 -0.21 3.92 1.43 0.02 -1.72 118.68 128.43 2qub s LEU 588 Ca 0.05 -0.94 -0.10 0.00 -1.03 0.00 0.00 54.13 52.11 2qub s LEU 588 Cb -0.15 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 2qub s LEU 588 CO 0.04 -0.42 0.14 0.00 0.23 0.00 0.00 176.35 176.34 2qub s ALA 589 N 1.63 3.66 -0.45 4.21 0.00 -0.31 -1.19 121.76 129.30 2qub s ALA 589 Ca 0.04 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.32 2qub s ALA 589 Cb -0.19 -2.21 0.40 0.00 0.00 0.00 0.00 23.12 21.12 2qub s ALA 589 CO 0.09 0.05 1.03 1.19 0.00 0.00 0.00 175.76 178.12 2qub n PHE 590 N 3.75 3.02 0.00 0.00 3.72 0.28 -4.81 117.46 123.42 2qub n PHE 590 Ca -0.16 -3.32 0.00 0.00 -0.05 0.00 0.00 57.45 53.93 2qub n PHE 590 Cb 0.52 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 2qub n PHE 590 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qub n GLY 591 N -0.32 1.38 0.00 1.37 0.00 -1.26 -1.92 105.19 104.45 2qub n GLY 591 Ca 0.32 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.68 2qub n GLY 591 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qub n HIS 592 N 0.00 0.00 -4.44 1.61 8.25 -1.26 -4.79 115.22 114.60 2qub n HIS 592 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 2qub n HIS 592 Cb 0.00 -0.33 -0.10 0.00 1.12 0.00 0.00 29.99 30.68 2qub n HIS 592 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2qub s SER 593 N -2.65 3.36 -0.05 0.41 0.01 -0.81 -4.57 113.70 109.39 2qub s SER 593 Ca 0.25 -1.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.20 2qub s SER 593 Cb 0.20 -0.26 0.11 0.00 0.21 0.00 0.00 66.02 66.28 2qub s SER 593 CO 0.47 0.00 0.98 0.00 0.41 0.00 0.00 173.24 175.10 2qub s GLN 594 N -3.46 0.69 -0.04 12.44 -2.07 -0.57 0.98 119.66 127.63 2qub s GLN 594 Ca 0.28 -0.26 0.02 0.00 -1.82 0.00 0.00 55.36 53.58 2qub s GLN 594 Cb -0.04 0.31 0.01 0.00 -1.09 0.00 0.00 33.01 32.20 2qub s GLN 594 CO 0.13 -0.30 -0.08 0.54 -1.32 0.00 0.00 175.29 174.26 2qub s VAL 595 N -2.93 0.73 -0.28 3.63 0.11 -0.33 -1.05 120.40 120.28 2qub s VAL 595 Ca 0.06 -0.27 -0.09 0.00 -2.93 0.00 0.00 61.98 58.75 2qub s VAL 595 Cb -0.01 -0.70 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 2qub s VAL 595 CO -0.08 0.25 0.13 -0.89 -3.33 0.00 0.00 175.10 171.19 2qub s THR 596 N 0.60 4.67 -0.45 5.04 2.01 -0.70 -0.80 115.64 126.00 2qub s THR 596 Ca -0.09 -0.18 -0.22 0.00 0.31 0.00 0.00 61.69 61.51 2qub s THR 596 Cb -0.13 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.14 2qub s THR 596 CO 0.01 0.22 0.73 -0.76 -0.69 0.00 0.00 174.62 174.13 2qub s LEU 597 N 1.65 4.36 0.01 4.42 1.02 0.37 0.46 118.68 130.97 2qub s LEU 597 Ca 0.06 -0.22 -0.30 0.00 0.02 0.00 0.00 54.13 53.69 2qub s LEU 597 Cb -0.16 -2.86 -0.04 0.00 0.02 0.00 0.00 46.19 43.15 2qub s LEU 597 CO 0.06 -0.87 1.09 -0.63 0.02 0.00 0.00 176.35 176.02 2qub s ILE 598 N 3.11 4.48 -0.58 -0.59 1.01 -0.16 -1.60 121.20 126.87 2qub s ILE 598 Ca 0.27 1.78 0.00 0.00 0.00 0.00 0.00 60.65 62.70 2qub s ILE 598 Cb -0.13 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.20 2qub s ILE 598 CO 0.21 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2qub n GLY 599 N 3.09 0.27 3.32 6.18 0.00 -0.96 -4.53 105.19 112.56 2qub n GLY 599 Ca 0.08 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 2qub n GLY 599 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qub s VAL 600 N -2.30 1.95 -0.05 1.61 1.01 -1.08 -5.01 120.40 116.53 2qub s VAL 600 Ca 0.00 -1.54 0.05 0.00 0.00 0.00 0.00 61.98 60.49 2qub s VAL 600 Cb 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 2qub s VAL 600 CO 0.00 0.09 -0.18 -0.55 0.00 0.00 0.00 175.10 174.46 2qub s SER 601 N -1.75 3.68 0.23 3.32 0.15 -1.26 -3.50 113.70 114.56 2qub s SER 601 Ca 0.10 -0.31 -0.06 0.00 0.70 0.00 0.00 55.95 56.38 2qub s SER 601 Cb -0.10 -0.76 0.34 0.00 -1.71 0.00 0.00 66.02 63.80 2qub s SER 601 CO 0.04 0.32 1.79 0.25 1.20 0.00 0.00 173.24 176.84 2qub h LEU 602 N 5.53 0.52 0.00 3.45 5.85 -1.97 -1.15 115.31 127.53 2qub h LEU 602 Ca -0.43 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2qub h LEU 602 Cb 1.15 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2qub h LEU 602 CO 0.49 0.30 0.00 -0.90 -0.34 0.00 0.00 178.44 177.99 2qub n ASP 603 N -4.83 0.00 -1.23 1.25 5.75 -1.26 -1.62 116.55 114.61 2qub n ASP 603 Ca 0.11 -0.26 0.10 0.00 -0.01 0.00 0.00 54.79 54.74 2qub n ASP 603 Cb 0.27 -0.11 0.29 0.00 -1.03 0.00 0.00 41.12 40.54 2qub n ASP 603 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2qub n HIS 604 N -1.11 0.97 -3.99 2.11 8.25 -0.44 -4.91 115.22 116.12 2qub n HIS 604 Ca 0.09 -0.54 -0.35 0.00 -0.26 0.00 0.00 57.72 56.67 2qub n HIS 604 Cb 0.07 -0.07 -0.14 0.00 1.12 0.00 0.00 29.99 30.97 2qub n HIS 604 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qub s ILE 605 N -1.25 3.38 0.48 1.59 1.01 -0.64 -4.88 121.20 120.89 2qub s ILE 605 Ca 0.43 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 2qub s ILE 605 Cb 0.24 -2.53 -0.06 0.00 0.01 0.00 0.00 42.46 40.13 2qub s ILE 605 CO 0.27 0.43 0.87 -0.55 0.00 0.00 0.00 174.94 175.96 2qub s SER 606 N 1.35 6.46 0.46 3.58 0.15 -1.26 -4.97 113.70 119.47 2qub s SER 606 Ca 0.04 1.27 0.19 0.00 0.70 0.00 0.00 55.95 58.14 2qub s SER 606 Cb -0.14 -2.39 1.11 0.00 -1.71 0.00 0.00 66.02 62.89 2qub s SER 606 CO -0.02 -0.55 1.99 0.71 1.20 0.00 0.00 173.24 176.57 2qub h THR 607 N 0.69 0.96 0.00 6.45 1.35 -1.99 -2.05 112.91 118.32 2qub h THR 607 Ca -0.47 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 2qub h THR 607 Cb 1.19 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2qub h THR 607 CO 0.63 0.19 0.00 -0.90 -0.25 0.00 0.00 175.52 175.18 2qub n ASP 608 N -4.06 0.00 -0.15 5.36 5.75 -1.26 -3.05 116.55 119.14 2qub n ASP 608 Ca -0.02 0.34 0.14 0.00 -0.01 0.00 0.00 54.79 55.23 2qub n ASP 608 Cb 0.27 -0.45 0.49 0.00 -1.03 0.00 0.00 41.12 40.40 2qub n ASP 608 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qub n GLN 609 N -1.45 0.67 -4.42 0.11 6.02 -0.77 -4.86 117.38 112.69 2qub n GLN 609 Ca 0.09 -0.31 -0.21 0.00 -0.01 0.00 0.00 57.00 56.55 2qub n GLN 609 Cb 0.30 -1.49 -0.16 0.00 1.02 0.00 0.00 30.24 29.91 2qub n GLN 609 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2qub s VAL 610 N -2.54 0.84 -0.20 5.09 1.01 -1.17 -0.68 120.40 122.75 2qub s VAL 610 Ca 0.25 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2qub s VAL 610 Cb 0.19 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.82 2qub s VAL 610 CO 0.51 0.27 -0.13 -0.69 0.00 0.00 0.00 175.10 175.06 2qub s VAL 611 N 0.36 2.58 -0.38 2.92 1.01 -0.22 -4.98 120.40 121.70 2qub s VAL 611 Ca -0.06 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 2qub s VAL 611 Cb -0.11 -2.15 0.09 0.00 0.00 0.00 0.00 36.38 34.21 2qub s VAL 611 CO 0.01 0.46 0.16 -0.76 0.00 0.00 0.00 175.10 174.97 2qub s LEU 612 N 1.36 4.86 0.00 3.92 1.43 -1.26 -0.70 118.68 128.28 2qub s LEU 612 Ca 0.05 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.42 2qub s LEU 612 Cb -0.14 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2qub s LEU 612 CO -0.09 -0.46 0.41 0.00 0.23 0.00 0.00 176.35 176.44