#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 3.67 -0.36 0.66 3.76 -1.26 -4.82 115.29 116.93 2qub s HIS 0 Ca 0.00 1.67 0.04 0.00 -0.15 0.00 0.00 55.06 56.62 2qub s HIS 0 Cb 0.00 -3.21 0.01 0.00 1.11 0.00 0.00 32.58 30.49 2qub s HIS 0 CO 0.00 -0.36 0.47 -1.33 -0.85 0.00 0.00 174.74 172.66 2qub n MET 1 N 2.23 1.53 0.00 1.40 2.00 -1.26 -4.98 117.12 118.05 2qub n MET 1 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 57.70 57.23 2qub n MET 1 Cb 0.47 -0.94 0.00 0.00 0.00 0.00 0.00 33.22 32.75 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 0.48 2.17 0.27 3.03 0.00 -0.58 -4.38 105.19 106.18 2qub n GLY 2 Ca 0.02 -1.65 0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 0.85 -0.62 -0.61 2.10 -1.72 -1.89 117.51 115.61 2qub h ILE 3 Ca 0.00 -0.12 -0.08 0.00 1.08 0.00 0.00 64.86 65.75 2qub h ILE 3 Cb 0.00 1.07 -0.05 0.00 -1.09 0.00 0.00 36.82 36.75 2qub h ILE 3 CO 0.00 0.03 0.09 0.49 -1.08 0.00 0.00 178.15 177.69 2qub n PHE 4 N -4.24 2.18 -1.72 2.19 3.72 -1.26 -4.16 117.46 114.16 2qub n PHE 4 Ca -0.03 -0.91 -0.42 0.00 -0.05 0.00 0.00 57.45 56.04 2qub n PHE 4 Cb 0.12 -0.57 -0.01 0.00 -0.94 0.00 0.00 39.48 38.08 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 0.30 3.14 -3.90 4.37 2.88 -0.71 -4.77 113.62 114.94 2qub n SER 5 Ca 0.32 1.21 -0.24 0.00 -1.33 0.00 0.00 58.87 58.83 2qub n SER 5 Cb 1.26 -1.53 -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 -0.95 1.09 0.00 0.66 5.04 -1.26 -5.04 117.35 116.89 2qub s TYR 6 Ca 0.56 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 2qub s TYR 6 Cb -0.54 -0.94 0.00 0.00 0.35 0.00 0.00 41.96 40.83 2qub s TYR 6 CO 0.61 -0.33 0.00 1.63 -1.34 0.00 0.00 175.55 176.12 2qub n LYS 7 N 4.49 0.00 -0.43 4.97 5.02 -1.26 -2.08 118.16 128.87 2qub n LYS 7 Ca -0.17 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.20 2qub n LYS 7 Cb 0.51 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.77 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 3.02 3.85 -4.76 4.39 5.75 -1.26 -5.02 116.55 122.53 2qub n ASP 8 Ca 0.00 -2.76 -0.35 0.00 -0.01 0.00 0.00 54.79 51.67 2qub n ASP 8 Cb 0.00 -0.49 0.04 0.00 -1.03 0.00 0.00 41.12 39.64 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 -2.37 3.62 0.82 -2.12 1.43 -0.88 -5.01 118.68 114.17 2qub s LEU 9 Ca 0.39 2.32 -0.12 0.00 -1.03 0.00 0.00 54.13 55.69 2qub s LEU 9 Cb 0.30 -4.59 0.09 0.00 0.03 0.00 0.00 46.19 42.01 2qub s LEU 9 CO 0.12 -1.60 1.13 1.51 0.23 0.00 0.00 176.35 177.73 2qub s ASP 10 N -1.76 4.33 0.22 2.29 1.47 -1.26 -4.78 116.67 117.18 2qub s ASP 10 Ca 0.75 1.05 -0.08 0.00 1.18 0.00 0.00 52.55 55.46 2qub s ASP 10 Cb -0.28 -1.70 0.30 0.00 -0.34 0.00 0.00 42.92 40.90 2qub s ASP 10 CO 0.34 -2.04 1.78 -0.08 0.68 0.00 0.00 175.17 175.85 2qub h GLU 11 N -1.15 0.59 -0.52 2.11 4.81 -1.95 -1.58 114.58 116.90 2qub h GLU 11 Ca -0.48 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.65 2qub h GLU 11 Cb 1.30 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 2qub h GLU 11 CO 0.62 0.39 0.06 -0.91 -0.73 0.00 0.00 179.01 178.44 2qub h ASN 12 N 0.61 0.79 -0.47 1.04 2.35 -1.94 -1.64 115.58 116.33 2qub h ASN 12 Ca 0.33 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 2qub h ASN 12 Cb 0.32 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2qub h ASN 12 CO -0.25 0.82 -0.04 0.00 -1.65 0.00 0.00 177.43 176.32 2qub h ALA 13 N 1.27 0.64 -0.76 -0.83 0.00 -1.76 -2.29 119.26 115.53 2qub h ALA 13 Ca 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2qub h ALA 13 Cb 0.39 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2qub h ALA 13 CO 0.01 0.47 0.38 0.77 0.00 0.00 0.00 179.25 180.89 2qub h SER 14 N 0.70 0.97 -0.62 0.00 0.02 -1.05 -1.22 113.55 112.35 2qub h SER 14 Ca 0.13 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 2qub h SER 14 Cb 0.56 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2qub h SER 14 CO 0.03 0.82 0.16 0.11 -1.14 0.00 0.00 176.83 176.81 2qub h LYS 15 N 1.06 0.99 -0.42 3.45 1.57 -1.20 -0.39 116.57 121.63 2qub h LYS 15 Ca 0.26 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 2qub h LYS 15 Cb 0.09 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2qub h LYS 15 CO -0.04 0.90 -0.21 0.00 -0.57 0.00 0.00 179.45 179.54 2qub h ALA 16 N 1.05 0.59 -0.55 3.86 0.00 -1.28 -1.15 119.26 121.78 2qub h ALA 16 Ca 0.20 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2qub h ALA 16 Cb 0.35 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2qub h ALA 16 CO 0.00 0.56 0.33 1.25 0.00 0.00 0.00 179.25 181.39 2qub h LEU 17 N 0.70 0.54 -0.36 0.00 5.85 -1.06 -1.36 115.31 119.62 2qub h LEU 17 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2qub h LEU 17 Cb 0.77 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2qub h LEU 17 CO 0.06 0.38 0.23 0.15 -0.34 0.00 0.00 178.44 178.92 2qub h PHE 18 N 0.66 0.46 -0.48 1.25 3.57 -0.83 -0.09 116.94 121.47 2qub h PHE 18 Ca 0.22 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.74 2qub h PHE 18 Cb 0.02 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 2qub h PHE 18 CO -0.06 0.31 0.30 1.03 -2.23 0.00 0.00 178.31 177.66 2qub h SER 19 N 0.47 0.49 -0.01 0.41 0.87 -0.94 -0.84 113.55 114.01 2qub h SER 19 Ca 0.13 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2qub h SER 19 Cb -0.03 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2qub h SER 19 CO -0.03 0.35 0.01 0.44 -0.53 0.00 0.00 176.83 177.07 2qub h ASP 20 N 0.60 0.01 -0.42 6.23 3.32 -0.96 -1.79 116.42 123.41 2qub h ASP 20 Ca 0.19 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.25 2qub h ASP 20 Cb -0.01 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 2qub h ASP 20 CO -0.07 0.03 0.19 0.00 -1.72 0.00 0.00 179.24 177.67 2qub h ALA 21 N 0.98 0.52 -0.62 3.45 0.00 -0.70 -1.55 119.26 121.34 2qub h ALA 21 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2qub h ALA 21 Cb 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2qub h ALA 21 CO -0.00 -0.18 0.06 1.25 0.00 0.00 0.00 179.25 180.38 2qub h LEU 22 N 0.39 1.03 -0.08 0.00 5.85 -1.09 -0.22 115.31 121.18 2qub h LEU 22 Ca 0.19 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2qub h LEU 22 Cb 0.12 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2qub h LEU 22 CO -0.15 1.05 0.05 0.00 -0.34 0.00 0.00 178.44 179.06 2qub h ALA 23 N 1.01 0.11 -0.06 1.25 0.00 -0.94 -1.71 119.26 118.92 2qub h ALA 23 Ca 0.18 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 2qub h ALA 23 Cb 0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2qub h ALA 23 CO 0.02 -0.39 -0.67 -0.84 0.00 0.00 0.00 179.25 177.37 2qub h ILE 24 N 0.09 1.41 -0.49 0.00 3.07 -1.07 -2.13 117.51 118.40 2qub h ILE 24 Ca 0.03 -2.12 0.00 0.00 1.55 0.00 0.00 64.86 64.32 2qub h ILE 24 Cb 0.01 2.10 -0.02 0.00 -0.27 0.00 0.00 36.82 38.64 2qub h ILE 24 CO -0.01 0.63 0.31 -1.28 -1.05 0.00 0.00 178.15 176.75 2qub h SER 25 N 0.17 0.57 -0.62 2.16 0.87 -0.97 -2.88 113.55 112.86 2qub h SER 25 Ca -0.02 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 2qub h SER 25 Cb 1.20 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 2qub h SER 25 CO 0.10 0.44 0.16 0.74 -0.53 0.00 0.00 176.83 177.75 2qub h THR 26 N 0.65 1.25 -0.69 2.23 2.02 -1.19 -3.04 112.91 114.15 2qub h THR 26 Ca 0.18 -0.89 0.06 0.00 0.77 0.00 0.00 66.41 66.52 2qub h THR 26 Cb -0.04 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 2qub h THR 26 CO -0.04 0.34 0.45 0.22 0.37 0.00 0.00 175.52 176.86 2qub h TYR 27 N 0.90 0.73 -0.00 3.16 3.20 -1.18 -2.12 116.97 121.66 2qub h TYR 27 Ca 0.20 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.08 2qub h TYR 27 Cb 0.33 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 2qub h TYR 27 CO 0.02 0.40 0.01 0.00 -1.64 0.00 0.00 178.16 176.94 2qub h ALA 28 N 1.62 1.04 -0.00 1.82 0.00 -1.39 0.89 119.26 123.24 2qub h ALA 28 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2qub h ALA 28 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qub h ALA 28 CO -0.09 -0.01 -0.30 0.66 0.00 0.00 0.00 179.25 179.52 2qub n TYR 29 N -3.12 0.00 -4.16 0.00 4.01 -0.80 -4.78 117.16 108.31 2qub n TYR 29 Ca -0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.38 2qub n TYR 29 Cb 0.08 -0.23 -0.03 0.00 -0.31 0.00 0.00 39.34 38.85 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 -1.15 -1.70 -2.19 -0.72 8.25 0.31 -1.83 115.22 116.18 2qub n HIS 30 Ca 0.09 0.78 -0.19 0.00 -0.26 0.00 0.00 57.72 58.14 2qub n HIS 30 Cb 0.33 -3.15 -0.03 0.00 1.12 0.00 0.00 29.99 28.26 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 -2.75 -5.47 0.26 0.41 3.02 -1.26 -4.47 115.26 105.00 2qub n ASN 31 Ca -0.04 0.09 0.09 0.00 -0.03 0.00 0.00 54.58 54.68 2qub n ASN 31 Cb 0.55 -4.54 0.66 0.00 -0.61 0.00 0.00 39.78 35.84 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 0.96 -0.54 2.41 6.09 -1.71 -1.62 117.51 123.10 2qub h ILE 32 Ca -0.44 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 2qub h ILE 32 Cb 1.32 1.03 0.00 0.00 0.47 0.00 0.00 36.82 39.64 2qub h ILE 32 CO 0.55 0.02 0.00 -0.90 -3.07 0.00 0.00 178.15 174.74 2qub n ASP 33 N -4.44 4.81 -0.14 2.19 5.75 -1.26 -4.14 116.55 119.32 2qub n ASP 33 Ca -0.03 -2.65 -0.06 0.00 -0.01 0.00 0.00 54.79 52.05 2qub n ASP 33 Cb 0.10 -0.62 0.03 0.00 -1.03 0.00 0.00 41.12 39.61 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 3.57 0.36 -0.69 -1.12 -0.00 -1.42 -0.79 115.58 115.49 2qub h ASN 34 Ca 0.00 0.02 -0.04 0.00 -0.00 0.00 0.00 56.30 56.28 2qub h ASN 34 Cb 1.61 -0.05 -0.03 0.00 -0.00 0.00 0.00 38.32 39.85 2qub h ASN 34 CO 0.34 0.26 0.28 1.23 -0.00 0.00 0.00 177.43 179.54 2qub h GLY 35 N 0.48 1.11 1.00 1.57 0.00 -1.40 -2.47 103.07 103.34 2qub h GLY 35 Ca 0.19 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 2qub h GLY 35 CO -0.12 0.57 0.36 -2.75 0.00 0.00 0.00 176.54 174.60 2qub h PHE 36 N 0.98 0.78 -0.19 5.60 3.57 -1.65 -0.05 116.94 125.98 2qub h PHE 36 Ca 0.23 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.78 2qub h PHE 36 Cb 0.21 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 2qub h PHE 36 CO 0.01 0.53 -0.21 0.22 -2.23 0.00 0.00 178.31 176.63 2qub h ASP 37 N 0.80 -0.67 0.02 0.41 1.82 -0.92 0.19 116.42 118.07 2qub h ASP 37 Ca 0.21 0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.97 2qub h ASP 37 Cb -0.02 0.31 0.00 0.00 0.68 0.00 0.00 39.33 40.30 2qub h ASP 37 CO -0.04 -0.26 -0.01 -0.08 -1.61 0.00 0.00 179.24 177.24 2qub h GLU 38 N -0.24 -0.03 0.12 0.28 4.81 -1.14 -2.48 114.58 115.90 2qub h GLU 38 Ca 0.12 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2qub h GLU 38 Cb 0.42 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2qub h GLU 38 CO -0.33 0.10 -0.13 0.78 -0.73 0.00 0.00 179.01 178.69 2qub h GLY 39 N -0.15 -0.27 0.38 1.92 0.00 -0.82 -1.21 103.07 102.92 2qub h GLY 39 Ca -0.00 0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.55 2qub h GLY 39 CO 0.01 -0.14 0.03 -1.82 0.00 0.00 0.00 176.54 174.62 2qub h TYR 40 N -0.29 0.04 -0.22 5.60 3.20 -0.66 0.88 116.97 125.52 2qub h TYR 40 Ca 0.01 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 2qub h TYR 40 Cb 0.28 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2qub h TYR 40 CO -0.13 -0.05 -0.31 0.45 -1.64 0.00 0.00 178.16 176.47 2qub h HIS 41 N 0.15 0.51 0.19 -3.82 3.86 -1.14 0.26 115.15 115.15 2qub h HIS 41 Ca 0.21 -0.12 -0.25 0.00 -1.16 0.00 0.00 60.37 59.05 2qub h HIS 41 Cb 0.29 -0.12 0.03 0.00 1.06 0.00 0.00 27.41 28.67 2qub h HIS 41 CO -0.25 0.71 -1.07 1.96 0.86 0.00 0.00 177.93 180.14 2qub h GLN 42 N 0.38 0.40 -0.00 2.45 4.20 -0.79 0.63 115.11 122.39 2qub h GLN 42 Ca 0.05 -0.68 0.00 0.00 0.06 0.00 0.00 58.65 58.08 2qub h GLN 42 Cb 0.74 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.78 2qub h GLN 42 CO 0.06 1.32 -0.02 0.25 -0.67 0.00 0.00 178.83 179.77 2qub n THR 43 N -3.97 0.00 -4.10 -0.54 -2.24 0.26 -4.67 114.28 99.03 2qub n THR 43 Ca -0.15 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2qub n THR 43 Cb 0.93 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 70.17 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 0.81 -0.60 0.35 3.38 0.00 0.08 -3.91 105.19 105.31 2qub n GLY 44 Ca 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 0.00 0.00 1.61 7.35 -1.26 -4.25 117.46 120.91 2qub n PHE 45 Ca 0.00 -0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 2qub n PHE 45 Cb 0.00 -0.06 0.00 0.00 0.35 0.00 0.00 39.48 39.77 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 -0.25 1.45 0.31 7.13 0.00 -1.26 -4.69 105.19 107.87 2qub n GLY 46 Ca 0.03 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 -1.05 0.99 3.38 -1.96 -1.00 115.31 115.67 2qub h LEU 47 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qub h LEU 47 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qub h LEU 47 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2qub n GLY 48 N -1.27 0.17 0.30 0.83 0.00 -1.25 -4.49 105.19 99.48 2qub n GLY 48 Ca -0.03 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 2.26 0.55 -0.63 0.99 5.85 -1.35 -1.11 115.31 121.87 2qub h LEU 49 Ca 0.00 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.90 2qub h LEU 49 Cb 0.49 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 2qub h LEU 49 CO 0.00 0.28 0.20 -0.65 -0.34 0.00 0.00 178.44 177.93 2qub h PRO 50 N 0.66 0.34 -0.57 5.25 0.11 -1.82 -0.57 132.00 135.41 2qub h PRO 50 Ca 0.41 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.49 2qub h PRO 50 Cb 0.48 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.49 2qub h PRO 50 CO -0.30 0.22 0.30 -0.07 -0.21 0.00 0.00 178.00 177.94 2qub h LEU 51 N 0.35 0.71 -0.67 2.35 3.38 -1.56 -2.47 115.31 117.40 2qub h LEU 51 Ca 0.33 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.26 2qub h LEU 51 Cb 0.46 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2qub h LEU 51 CO -0.36 0.61 0.36 0.74 0.09 0.00 0.00 178.44 179.88 2qub h THR 52 N 0.76 0.95 -0.34 0.22 2.02 -0.62 -2.12 112.91 113.78 2qub h THR 52 Ca 0.20 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 2qub h THR 52 Cb 0.06 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 2qub h THR 52 CO -0.03 0.12 -0.20 -0.07 0.37 0.00 0.00 175.52 175.71 2qub h LEU 53 N 0.66 0.65 -0.24 2.58 3.38 -0.81 -0.92 115.31 120.61 2qub h LEU 53 Ca 0.30 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 2qub h LEU 53 Cb 0.21 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2qub h LEU 53 CO -0.19 0.85 -0.36 0.40 0.09 0.00 0.00 178.44 179.22 2qub h ILE 54 N 0.58 1.31 -0.52 1.22 2.04 -1.18 -2.69 117.51 118.28 2qub h ILE 54 Ca 0.09 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.39 2qub h ILE 54 Cb 0.66 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 2qub h ILE 54 CO 0.05 0.49 0.34 0.74 0.00 0.00 0.00 178.15 179.77 2qub h THR 55 N 0.37 1.14 -0.23 -0.27 2.02 -1.25 -0.80 112.91 113.88 2qub h THR 55 Ca 0.02 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2qub h THR 55 Cb 0.95 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2qub h THR 55 CO 0.08 0.13 0.12 0.00 0.37 0.00 0.00 175.52 176.23 2qub h ALA 56 N 1.67 1.78 0.14 6.16 0.00 -0.89 0.11 119.26 128.23 2qub h ALA 56 Ca 0.19 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 2qub h ALA 56 Cb -0.07 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.63 2qub h ALA 56 CO -0.04 0.19 -1.37 -0.07 0.00 0.00 0.00 179.25 177.96 2qub h LEU 57 N 0.32 0.47 -1.42 0.00 3.38 -0.88 -1.41 115.31 115.77 2qub h LEU 57 Ca 0.08 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.16 2qub h LEU 57 Cb 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2qub h LEU 57 CO -0.01 1.62 0.00 2.30 0.09 0.00 0.00 178.44 182.43 2qub n ILE 58 N -3.89 0.26 -4.32 1.22 -5.35 -0.53 -1.61 119.36 105.14 2qub n ILE 58 Ca -0.22 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.69 2qub n ILE 58 Cb 0.93 0.96 0.00 0.00 -1.74 0.00 0.00 39.64 39.80 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 -0.13 2.03 0.00 3.28 0.00 0.36 -4.35 105.19 106.39 2qub n GLY 59 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.98 0.00 0.05 1.61 3.41 -0.10 -4.74 113.62 112.88 2qub n SER 60 Ca 0.00 -0.28 0.11 0.00 -0.26 0.00 0.00 58.87 58.44 2qub n SER 60 Cb 0.00 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.69 0.46 6.66 -2.24 -1.26 -3.67 114.28 114.92 2qub n THR 61 Ca 0.00 0.11 0.05 0.00 -2.27 0.00 0.00 64.05 61.94 2qub n THR 61 Cb 0.00 -0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 67.29 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 -1.83 3.44 -3.86 -0.78 6.02 -1.26 -4.26 117.38 114.85 2qub n GLN 62 Ca 0.04 -0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 56.93 2qub n GLN 62 Cb 0.26 -1.00 -0.08 0.00 1.02 0.00 0.00 30.24 30.45 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 -2.03 0.10 -0.16 1.08 1.04 -1.24 -4.86 113.70 107.63 2qub s SER 63 Ca 0.03 -0.57 -0.01 0.00 0.48 0.00 0.00 55.95 55.88 2qub s SER 63 Cb 0.08 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 2qub s SER 63 CO 0.42 -0.67 -0.11 -1.58 0.98 0.00 0.00 173.24 172.29 2qub s GLN 64 N -3.42 3.35 0.00 4.02 0.74 -1.26 -0.92 119.66 122.17 2qub s GLN 64 Ca 0.02 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 54.75 2qub s GLN 64 Cb 0.03 -2.75 0.00 0.00 1.10 0.00 0.00 33.01 31.39 2qub s GLN 64 CO -0.09 0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.12 2qub n GLY 65 N 4.01 -0.33 0.26 2.59 0.00 -1.26 -1.24 105.19 109.22 2qub n GLY 65 Ca -0.18 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.15 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 0.27 -4.32 -0.02 0.00 -0.74 -3.44 103.07 94.82 2qub h GLY 66 Ca 0.00 -0.13 -0.53 0.00 0.00 0.00 0.00 47.33 46.67 2qub h GLY 66 CO 0.00 0.12 0.40 -2.27 0.00 0.00 0.00 176.54 174.79 2qub s LEU 67 N -9.03 4.41 0.64 3.11 2.96 -0.63 -4.78 118.68 115.36 2qub s LEU 67 Ca -0.06 1.78 -0.06 0.00 -0.22 0.00 0.00 54.13 55.57 2qub s LEU 67 Cb 0.16 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.31 2qub s LEU 67 CO 0.71 -0.24 0.95 -2.16 -1.32 0.00 0.00 176.35 174.30 2qub s PRO 68 N 0.65 2.58 0.00 0.98 0.04 -1.26 -4.66 135.00 133.33 2qub s PRO 68 Ca 0.51 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.41 2qub s PRO 68 Cb -0.23 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2qub s PRO 68 CO 0.29 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.79 2qub n GLY 69 N -2.73 0.68 3.57 0.56 0.00 -1.26 -5.03 105.19 100.98 2qub n GLY 69 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 4.29 0.46 0.99 1.43 -1.26 -4.94 118.68 119.65 2qub s LEU 70 Ca 0.00 0.08 0.32 0.00 -1.03 0.00 0.00 54.13 53.49 2qub s LEU 70 Cb 0.00 -2.64 1.51 0.00 0.03 0.00 0.00 46.19 45.08 2qub s LEU 70 CO 0.00 -0.49 1.95 1.55 0.23 0.00 0.00 176.35 179.59 2qub h PRO 71 N 8.41 0.00 -0.00 1.29 0.13 -2.01 -2.02 132.00 137.80 2qub h PRO 71 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2qub h PRO 71 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2qub h PRO 71 CO 0.78 0.00 -0.38 -2.67 -0.23 0.00 0.00 178.00 175.50 2qub n TRP 72 N -2.70 0.00 -2.53 1.56 2.14 -1.26 -4.85 117.44 109.79 2qub n TRP 72 Ca -0.00 0.00 -0.34 0.00 2.07 0.00 0.00 57.50 59.22 2qub n TRP 72 Cb 0.17 -0.22 -0.03 0.00 -0.81 0.00 0.00 31.31 30.41 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 -2.83 6.39 0.79 -0.67 0.02 -0.76 -4.05 114.94 113.82 2qub s ASN 73 Ca 0.16 1.96 -0.11 0.00 -1.02 0.00 0.00 52.86 53.85 2qub s ASN 73 Cb 0.18 -2.57 0.06 0.00 0.02 0.00 0.00 41.25 38.95 2qub s ASN 73 CO 0.63 -0.75 1.09 -2.16 0.02 0.00 0.00 177.10 175.93 2qub s PRO 74 N -3.10 2.15 -1.02 -0.60 0.04 -1.26 -4.96 135.00 126.24 2qub s PRO 74 Ca 0.66 1.08 -0.21 0.00 0.04 0.00 0.00 61.00 62.57 2qub s PRO 74 Cb -0.18 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.55 2qub s PRO 74 CO 0.22 -1.69 1.38 0.34 0.04 0.00 0.00 177.00 177.28 2qub s ASP 75 N -3.44 6.59 0.47 6.66 -1.08 -1.26 -4.58 116.67 120.04 2qub s ASP 75 Ca 0.61 -1.78 0.27 0.00 -0.52 0.00 0.00 52.55 51.13 2qub s ASP 75 Cb -0.17 -2.51 0.96 0.00 -1.46 0.00 0.00 42.92 39.74 2qub s ASP 75 CO 0.56 -1.31 1.83 0.77 0.52 0.00 0.00 175.17 177.54 2qub h SER 76 N 9.21 0.00 0.07 -0.34 4.64 -1.93 -2.68 113.55 122.51 2qub h SER 76 Ca 0.21 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.35 2qub h SER 76 Cb 1.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2qub h SER 76 CO 1.33 0.13 -0.67 -0.33 -0.87 0.00 0.00 176.83 176.42 2qub h GLU 77 N 0.00 0.56 -0.77 4.77 5.08 -1.88 -0.53 114.58 121.80 2qub h GLU 77 Ca -0.00 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 2qub h GLU 77 Cb 0.73 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 2qub h GLU 77 CO 0.02 1.03 0.39 0.37 -1.00 0.00 0.00 179.01 179.82 2qub h GLN 78 N 0.40 1.09 -0.58 2.33 5.75 -1.88 -1.60 115.11 120.62 2qub h GLN 78 Ca -0.02 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.28 2qub h GLN 78 Cb 1.24 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.56 2qub h GLN 78 CO 0.12 0.83 0.12 0.00 -2.65 0.00 0.00 178.83 177.26 2qub h ALA 79 N 1.20 1.13 -0.60 3.38 0.00 -1.19 -1.32 119.26 121.86 2qub h ALA 79 Ca 0.27 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2qub h ALA 79 Cb 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2qub h ALA 79 CO -0.04 0.58 0.26 0.00 0.00 0.00 0.00 179.25 180.05 2qub h ALA 80 N 1.26 0.78 -0.56 0.00 0.00 -0.77 -1.94 119.26 118.03 2qub h ALA 80 Ca 0.19 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2qub h ALA 80 Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2qub h ALA 80 CO 0.00 0.37 0.10 0.37 0.00 0.00 0.00 179.25 180.09 2qub h GLN 81 N 0.83 0.92 -0.79 0.00 4.15 -1.00 -2.20 115.11 117.03 2qub h GLN 81 Ca 0.20 -0.24 0.03 0.00 0.77 0.00 0.00 58.65 59.41 2qub h GLN 81 Cb 0.17 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.70 2qub h GLN 81 CO -0.02 0.88 0.50 0.93 -1.93 0.00 0.00 178.83 179.19 2qub h GLU 82 N 0.81 0.95 -0.20 1.69 5.08 -1.04 -0.12 114.58 121.75 2qub h GLU 82 Ca 0.17 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2qub h GLU 82 Cb 0.40 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2qub h GLU 82 CO 0.01 0.63 0.09 0.00 -1.00 0.00 0.00 179.01 178.73 2qub h ALA 83 N 1.33 0.26 -0.20 3.43 0.00 -1.15 -0.14 119.26 122.78 2qub h ALA 83 Ca 0.31 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2qub h ALA 83 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qub h ALA 83 CO -0.11 -0.16 -0.52 -0.24 0.00 0.00 0.00 179.25 178.22 2qub h VAL 84 N 0.18 1.31 -0.45 0.00 3.04 -1.16 -1.95 116.25 117.22 2qub h VAL 84 Ca 0.07 -1.76 -0.03 0.00 -1.01 0.00 0.00 66.70 63.97 2qub h VAL 84 Cb 0.16 1.72 -0.02 0.00 -2.01 0.00 0.00 31.29 31.14 2qub h VAL 84 CO -0.01 0.55 0.16 0.78 -1.01 0.00 0.00 177.57 178.04 2qub h ASN 85 N 0.45 0.63 0.49 3.17 -0.26 -0.92 -2.25 115.58 116.89 2qub h ASN 85 Ca 0.01 -0.19 -0.02 0.00 -0.56 0.00 0.00 56.30 55.55 2qub h ASN 85 Cb 1.07 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 38.16 2qub h ASN 85 CO 0.10 0.65 -0.11 0.78 -1.06 0.00 0.00 177.43 177.79 2qub h ASN 86 N 0.58 0.00 0.57 5.81 2.35 -0.93 -0.04 115.58 123.93 2qub h ASN 86 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2qub h ASN 86 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2qub h ASN 86 CO -0.01 0.11 0.00 0.00 -1.65 0.00 0.00 177.43 175.88 2qub n ALA 87 N -2.23 2.23 0.00 -0.83 0.00 -0.74 -4.90 120.51 114.04 2qub n ALA 87 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2qub n ALA 87 Cb 0.26 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 0.91 1.09 3.23 0.00 0.00 -0.03 -4.98 105.19 105.40 2qub n GLY 88 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 2.52 0.02 1.61 0.52 -0.88 -4.27 118.94 116.46 2qub s TRP 89 Ca 0.00 -0.96 0.03 0.00 0.02 0.00 0.00 56.10 55.19 2qub s TRP 89 Cb 0.00 -1.68 -0.02 0.00 -1.15 0.00 0.00 33.47 30.63 2qub s TRP 89 CO 0.00 -0.37 -0.11 -1.54 0.02 0.00 0.00 176.95 174.95 2qub s SER 90 N 0.21 1.26 0.38 2.95 1.04 -0.65 -3.07 113.70 115.82 2qub s SER 90 Ca -0.15 -0.35 -0.28 0.00 0.48 0.00 0.00 55.95 55.65 2qub s SER 90 Cb -0.17 -0.08 -0.10 0.00 0.10 0.00 0.00 66.02 65.76 2qub s SER 90 CO 0.08 0.02 1.44 -0.69 0.98 0.00 0.00 173.24 175.06 2qub s VAL 91 N -0.68 2.20 -0.17 5.02 1.01 -1.26 -0.62 120.40 125.90 2qub s VAL 91 Ca 0.00 0.20 -0.08 0.00 0.00 0.00 0.00 61.98 62.10 2qub s VAL 91 Cb -0.06 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2qub s VAL 91 CO 0.00 0.04 0.11 -0.63 0.00 0.00 0.00 175.10 174.62 2qub s ILE 92 N -1.14 5.19 0.61 2.22 1.01 -0.13 -4.82 121.20 124.13 2qub s ILE 92 Ca 0.53 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.17 2qub s ILE 92 Cb -0.44 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 2qub s ILE 92 CO 0.60 0.50 1.02 -0.94 0.00 0.00 0.00 174.94 176.12 2qub s SER 93 N -0.02 6.28 0.34 3.58 1.04 -1.26 -4.80 113.70 118.86 2qub s SER 93 Ca 0.08 1.44 0.04 0.00 0.48 0.00 0.00 55.95 57.99 2qub s SER 93 Cb -0.12 -2.48 0.62 0.00 0.10 0.00 0.00 66.02 64.15 2qub s SER 93 CO 0.00 -0.83 1.92 0.00 0.98 0.00 0.00 173.24 175.31 2qub h ALA 94 N -0.15 1.43 -0.49 5.32 0.00 -1.93 -2.35 119.26 121.09 2qub h ALA 94 Ca -0.44 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2qub h ALA 94 Cb 1.19 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2qub h ALA 94 CO 0.62 0.42 0.31 1.15 0.00 0.00 0.00 179.25 181.75 2qub h THR 95 N 0.60 1.14 -0.86 0.00 2.02 -1.93 0.72 112.91 114.60 2qub h THR 95 Ca 0.14 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2qub h THR 95 Cb 0.20 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 2qub h THR 95 CO -0.01 0.14 0.46 1.56 0.37 0.00 0.00 175.52 178.04 2qub h GLN 96 N 0.66 1.20 0.00 6.66 4.20 -1.83 -2.51 115.11 123.49 2qub h GLN 96 Ca 0.18 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2qub h GLN 96 Cb -0.04 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.51 2qub h GLN 96 CO -0.04 0.89 0.00 -0.07 -0.67 0.00 0.00 178.83 178.94 2qub h LEU 97 N 1.21 0.00 1.90 1.46 3.38 -0.99 -3.47 115.31 118.80 2qub h LEU 97 Ca 0.30 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.98 2qub h LEU 97 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2qub h LEU 97 CO -0.05 0.00 -0.38 0.61 0.09 0.00 0.00 178.44 178.72 2qub n GLY 98 N 1.10 -0.22 3.72 0.83 0.00 0.11 -4.82 105.19 105.91 2qub n GLY 98 Ca 0.05 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.75 3.63 -2.47 1.61 5.04 -0.41 -4.97 117.35 117.04 2qub s TYR 99 Ca 0.02 1.47 0.23 0.00 -2.44 0.00 0.00 57.07 56.35 2qub s TYR 99 Cb -0.01 -2.94 0.52 0.00 0.35 0.00 0.00 41.96 39.88 2qub s TYR 99 CO 0.03 0.07 1.44 0.00 -1.34 0.00 0.00 175.55 175.75 2qub n ALA 100 N 3.72 2.46 -1.50 3.97 0.00 -1.26 -4.76 120.51 123.14 2qub n ALA 100 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2qub n ALA 100 Cb 0.51 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 1.37 0.61 3.77 0.00 0.00 -1.26 -5.07 105.19 104.60 2qub n GLY 101 Ca 0.18 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.00 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 1.52 4.07 0.12 1.61 2.20 -1.26 -5.06 119.74 122.93 2qub s LYS 102 Ca 0.00 0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.72 2qub s LYS 102 Cb 0.00 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 2qub s LYS 102 CO 0.00 0.40 -0.08 0.95 -0.36 0.00 0.00 175.35 176.26 2qub s THR 103 N -0.02 0.90 0.31 3.43 -4.23 -1.26 -2.04 115.64 112.73 2qub s THR 103 Ca 0.17 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 58.76 2qub s THR 103 Cb -0.13 -1.72 0.04 0.00 1.34 0.00 0.00 72.50 72.03 2qub s THR 103 CO 0.05 -0.80 0.36 -0.90 -0.54 0.00 0.00 174.62 172.79 2qub n ASP 104 N -0.06 1.39 0.27 3.99 5.68 -0.65 -4.95 116.55 122.22 2qub n ASP 104 Ca -0.12 -1.89 0.17 0.00 -0.50 0.00 0.00 54.79 52.46 2qub n ASP 104 Cb 0.60 -0.16 0.75 0.00 -1.14 0.00 0.00 41.12 41.17 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 0.43 1.00 -0.01 2.12 0.00 -2.03 -0.93 119.26 119.83 2qub h ALA 105 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qub h ALA 105 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2qub h ALA 105 CO 0.24 0.00 -0.03 0.54 0.00 0.00 0.00 179.25 179.99 2qub n ARG 106 N -2.96 1.60 -0.56 0.00 1.74 -1.26 -4.93 116.66 110.30 2qub n ARG 106 Ca 0.00 -0.96 0.00 0.00 -0.77 0.00 0.00 57.85 56.12 2qub n ARG 106 Cb 0.25 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 1.20 0.73 3.76 -0.13 0.00 -0.35 -5.05 105.19 105.35 2qub n GLY 107 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.22 3.42 -0.00 2.61 2.01 -1.26 -4.78 115.64 115.42 2qub s THR 108 Ca 0.00 1.42 -0.14 0.00 0.31 0.00 0.00 61.69 63.28 2qub s THR 108 Cb 0.00 -3.90 -0.06 0.00 0.01 0.00 0.00 72.50 68.55 2qub s THR 108 CO 0.00 0.33 0.39 -0.31 -0.69 0.00 0.00 174.62 174.34 2qub s TYR 109 N -1.18 3.71 0.10 4.92 2.02 -0.29 -1.64 117.35 124.98 2qub s TYR 109 Ca 0.45 0.95 0.06 0.00 -0.37 0.00 0.00 57.07 58.17 2qub s TYR 109 Cb -0.32 -2.26 -0.04 0.00 -0.40 0.00 0.00 41.96 38.94 2qub s TYR 109 CO 0.42 0.64 -0.06 0.71 -1.57 0.00 0.00 175.55 175.69 2qub s TYR 110 N -1.10 2.84 0.47 2.71 2.02 -0.86 -1.23 117.35 122.19 2qub s TYR 110 Ca 0.24 -0.10 -0.23 0.00 -0.37 0.00 0.00 57.07 56.60 2qub s TYR 110 Cb -0.16 -1.48 -0.09 0.00 -0.40 0.00 0.00 41.96 39.83 2qub s TYR 110 CO 0.13 0.45 1.05 0.41 -1.57 0.00 0.00 175.55 176.02 2qub n GLY 111 N 0.67 -0.07 0.08 0.71 0.00 -0.30 -4.67 105.19 101.61 2qub n GLY 111 Ca -0.12 0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.16 0.67 -4.07 1.61 1.02 0.17 -4.33 120.64 115.55 2qub n GLU 112 Ca 0.10 0.05 -0.33 0.00 -0.02 0.00 0.00 57.16 56.96 2qub n GLU 112 Cb 0.41 -1.61 -0.07 0.00 -0.02 0.00 0.00 31.44 30.16 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 -2.72 4.82 0.22 2.62 2.01 -1.20 -4.98 115.64 116.40 2qub s THR 113 Ca -0.08 -0.39 -0.32 0.00 0.31 0.00 0.00 61.69 61.22 2qub s THR 113 Cb 0.08 -3.22 -0.14 0.00 0.01 0.00 0.00 72.50 69.23 2qub s THR 113 CO 0.84 0.34 1.36 0.00 -0.69 0.00 0.00 174.62 176.46 2qub n ALA 114 N 1.12 0.66 -0.05 7.40 0.00 -1.26 -0.75 120.51 127.63 2qub n ALA 114 Ca -0.13 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2qub n ALA 114 Cb 0.53 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 2.19 0.86 0.06 0.00 0.00 -1.26 -4.83 105.19 102.20 2qub n GLY 115 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 1.00 1.61 4.01 0.07 -4.85 117.16 117.01 2qub n TYR 116 Ca 0.00 -0.32 0.10 0.00 -0.16 0.00 0.00 57.90 57.52 2qub n TYR 116 Cb 0.00 -0.04 0.53 0.00 -0.31 0.00 0.00 39.34 39.52 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 -0.37 0.34 0.56 -0.72 -2.24 -1.20 -1.66 114.28 108.99 2qub n THR 117 Ca 0.02 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 2qub n THR 117 Cb 0.43 -0.74 0.23 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.27 0.38 -2.41 4.28 -2.24 -1.26 -4.20 114.28 107.56 2qub n THR 118 Ca 0.10 -0.65 -0.37 0.00 -2.27 0.00 0.00 64.05 60.87 2qub n THR 118 Cb 0.16 0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 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 -1.62 3.03 -0.00 6.98 0.00 -0.66 -4.82 121.76 124.66 2qub s ALA 119 Ca 0.36 0.81 0.03 0.00 0.00 0.00 0.00 51.96 53.16 2qub s ALA 119 Cb 0.22 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 2qub s ALA 119 CO 0.31 -0.42 -0.09 -0.65 0.00 0.00 0.00 175.76 174.91 2qub s GLN 120 N -2.60 0.72 0.05 0.00 1.11 -1.26 -1.14 119.66 116.53 2qub s GLN 120 Ca 0.61 -0.36 0.01 0.00 0.01 0.00 0.00 55.36 55.63 2qub s GLN 120 Cb -0.25 -0.69 -0.03 0.00 -1.01 0.00 0.00 33.01 31.03 2qub s GLN 120 CO 0.31 0.19 -0.05 0.00 0.01 0.00 0.00 175.29 175.74 2qub s ALA 121 N -0.28 0.48 -0.03 6.09 0.00 -0.36 -0.94 121.76 126.71 2qub s ALA 121 Ca 0.03 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.17 2qub s ALA 121 Cb -0.04 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2qub s ALA 121 CO -0.00 -0.17 -0.23 -1.21 0.00 0.00 0.00 175.76 174.15 2qub s GLU 122 N -2.36 2.21 -0.16 0.00 0.41 0.41 -1.14 118.70 118.07 2qub s GLU 122 Ca -0.05 -0.87 0.02 0.00 -0.41 0.00 0.00 54.97 53.66 2qub s GLU 122 Cb -0.04 -2.13 0.02 0.00 -1.78 0.00 0.00 34.13 30.19 2qub s GLU 122 CO -0.03 0.58 -0.21 0.08 -0.49 0.00 0.00 175.26 175.19 2qub s VAL 123 N -0.65 2.02 0.15 2.63 1.01 -1.26 -1.53 120.40 122.77 2qub s VAL 123 Ca 0.10 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.20 2qub s VAL 123 Cb -0.10 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2qub s VAL 123 CO -0.01 0.54 -0.13 -0.76 0.00 0.00 0.00 175.10 174.75 2qub s LEU 124 N 1.07 2.48 0.13 3.92 1.02 -0.05 -0.96 118.68 126.29 2qub s LEU 124 Ca -0.01 -0.92 0.09 0.00 0.02 0.00 0.00 54.13 53.31 2qub s LEU 124 Cb -0.14 -0.50 -0.04 0.00 0.02 0.00 0.00 46.19 45.53 2qub s LEU 124 CO -0.07 -0.22 -0.21 -0.83 0.02 0.00 0.00 176.35 175.04 2qub s GLY 125 N -2.86 1.36 -0.05 -3.19 0.00 0.21 -0.40 107.32 102.38 2qub s GLY 125 Ca 0.14 -1.38 0.04 0.00 0.00 0.00 0.00 44.72 43.52 2qub s GLY 125 CO 0.03 -1.40 -0.16 1.25 0.00 0.00 0.00 173.10 172.81 2qub s LYS 126 N -2.30 2.49 0.07 2.90 2.20 -0.47 -1.63 119.74 123.00 2qub s LYS 126 Ca 0.11 -0.73 0.06 0.00 -0.36 0.00 0.00 55.97 55.05 2qub s LYS 126 Cb -0.08 -2.34 -0.03 0.00 -1.51 0.00 0.00 37.83 33.87 2qub s LYS 126 CO 0.06 0.59 -0.16 0.71 -0.36 0.00 0.00 175.35 176.19 2qub s TYR 127 N -0.66 1.34 0.80 4.03 2.02 -1.26 -0.29 117.35 123.33 2qub s TYR 127 Ca 0.10 -0.43 -0.08 0.00 -0.37 0.00 0.00 57.07 56.29 2qub s TYR 127 Cb -0.11 -0.76 0.13 0.00 -0.40 0.00 0.00 41.96 40.82 2qub s TYR 127 CO 0.01 0.08 1.12 0.16 -1.57 0.00 0.00 175.55 175.35 2qub s ASP 128 N -1.65 4.11 -0.42 2.29 1.47 -0.38 -4.92 116.67 117.17 2qub s ASP 128 Ca 0.00 0.18 -0.28 0.00 1.18 0.00 0.00 52.55 53.64 2qub s ASP 128 Cb -0.10 -0.55 -0.01 0.00 -0.34 0.00 0.00 42.92 41.92 2qub s ASP 128 CO 0.02 -2.06 1.73 -0.94 0.68 0.00 0.00 175.17 174.61 2qub s SER 129 N -4.70 5.83 0.00 2.11 1.04 -1.26 -1.42 113.70 115.30 2qub s SER 129 Ca 0.66 0.96 0.00 0.00 0.48 0.00 0.00 55.95 58.06 2qub s SER 129 Cb -0.07 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2qub s SER 129 CO 0.47 -1.82 0.00 -0.62 0.98 0.00 0.00 173.24 172.26 2qub n GLU 130 N 8.55 0.00 -0.68 4.02 1.02 -1.26 -4.86 120.64 127.43 2qub n GLU 130 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 2qub n GLU 130 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 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 0.61 3.73 0.62 0.00 -0.51 -5.05 105.19 104.59 2qub n GLY 131 Ca 0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.44 7.32 0.11 1.61 0.01 -1.26 -4.83 114.94 115.45 2qub s ASN 132 Ca 0.00 1.58 -0.31 0.00 -0.71 0.00 0.00 52.86 53.42 2qub s ASN 132 Cb 0.00 -2.53 -0.08 0.00 0.41 0.00 0.00 41.25 39.05 2qub s ASN 132 CO 0.00 -0.10 1.46 -0.22 -1.51 0.00 0.00 177.10 176.73 2qub s LEU 133 N 0.34 4.36 -0.01 0.60 2.96 -1.26 -1.25 118.68 124.42 2qub s LEU 133 Ca 0.44 2.38 0.02 0.00 -0.22 0.00 0.00 54.13 56.75 2qub s LEU 133 Cb -0.21 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.86 2qub s LEU 133 CO 0.26 -0.72 0.04 1.07 -1.32 0.00 0.00 176.35 175.68 2qub n THR 134 N 4.12 0.03 -3.56 3.68 5.66 0.60 -4.92 114.28 119.89 2qub n THR 134 Ca 0.13 -0.06 -0.13 0.00 -3.05 0.00 0.00 64.05 60.94 2qub n THR 134 Cb 0.41 0.19 -0.05 0.00 -1.55 0.00 0.00 70.33 69.34 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 -2.13 -1.30 -0.01 1.79 0.00 -1.17 -4.95 121.76 113.99 2qub s ALA 135 Ca -0.01 0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.47 2qub s ALA 135 Cb 0.01 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 2qub s ALA 135 CO 0.09 -0.58 -0.24 0.42 0.00 0.00 0.00 175.76 175.45 2qub s ILE 136 N -2.96 1.89 -0.05 0.00 1.01 -0.77 -1.37 121.20 118.95 2qub s ILE 136 Ca -0.02 -1.05 0.06 0.00 0.00 0.00 0.00 60.65 59.63 2qub s ILE 136 Cb -0.00 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 2qub s ILE 136 CO -0.06 0.50 -0.25 -0.83 0.00 0.00 0.00 174.94 174.31 2qub s GLY 137 N -0.64 1.30 -0.14 6.18 0.00 0.46 -1.06 107.32 113.42 2qub s GLY 137 Ca 0.09 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.76 2qub s GLY 137 CO -0.01 -0.70 -0.15 -0.42 0.00 0.00 0.00 173.10 171.82 2qub s ILE 138 N -0.26 1.63 -0.08 0.90 1.01 0.10 -0.87 121.20 123.62 2qub s ILE 138 Ca -0.01 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.00 2qub s ILE 138 Cb -0.13 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.83 2qub s ILE 138 CO 0.03 0.47 -0.20 -0.55 0.00 0.00 0.00 174.94 174.68 2qub s SER 139 N 1.36 2.66 -0.15 3.58 0.15 -0.58 -0.88 113.70 119.83 2qub s SER 139 Ca 0.03 -0.47 -0.06 0.00 0.70 0.00 0.00 55.95 56.15 2qub s SER 139 Cb -0.13 -1.11 -0.04 0.00 -1.71 0.00 0.00 66.02 63.03 2qub s SER 139 CO -0.09 0.14 0.06 -0.36 1.20 0.00 0.00 173.24 174.19 2qub s PHE 140 N 0.33 3.29 0.35 3.44 0.08 -0.58 -0.44 117.98 124.45 2qub s PHE 140 Ca -0.15 0.17 -0.26 0.00 0.12 0.00 0.00 56.93 56.82 2qub s PHE 140 Cb -0.16 -2.00 -0.09 0.00 -0.57 0.00 0.00 43.02 40.20 2qub s PHE 140 CO 0.06 0.32 1.02 0.50 -0.10 0.00 0.00 175.22 177.02 2qub s ARG 141 N -0.12 4.40 0.00 0.44 3.52 -0.12 -3.78 118.95 123.29 2qub s ARG 141 Ca 0.07 1.49 0.00 0.00 -0.13 0.00 0.00 55.73 57.16 2qub s ARG 141 Cb -0.12 -2.75 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 2qub s ARG 141 CO 0.01 0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.98 2qub n GLY 142 N 0.57 -1.45 3.74 8.12 0.00 -1.20 -3.23 105.19 111.75 2qub n GLY 142 Ca 0.03 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.62 2.54 0.00 2.61 2.01 -1.26 -4.77 115.64 116.16 2qub s THR 143 Ca 0.00 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2qub s THR 143 Cb 0.00 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.23 2qub s THR 143 CO 0.00 0.06 0.00 -1.54 -0.69 0.00 0.00 174.62 172.45 2qub n SER 144 N 2.70 0.00 -1.01 3.53 3.41 -1.26 -5.04 113.62 115.95 2qub n SER 144 Ca 0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2qub n SER 144 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.05 2.16 3.65 5.00 0.00 -1.26 -4.72 105.19 108.96 2qub n GLY 145 Ca 0.00 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.00 1.54 -0.33 1.61 -0.02 -1.26 -4.71 135.00 131.83 2qub n PRO 146 Ca -0.00 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 2qub n PRO 146 Cb 0.00 -2.18 0.34 0.00 -0.02 0.00 0.00 33.50 31.65 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 1.69 0.72 0.00 -0.52 3.08 -1.97 -1.65 114.38 115.74 2qub h ARG 147 Ca -0.46 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 2qub h ARG 147 Cb 1.32 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 2qub h ARG 147 CO 0.58 0.48 -0.00 0.93 -1.07 0.00 0.00 179.97 180.88 2qub h GLU 148 N 0.75 0.00 -0.21 0.04 3.07 -1.90 -2.77 114.58 113.56 2qub h GLU 148 Ca 0.54 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.20 2qub h GLU 148 Cb 0.87 0.00 -0.32 0.00 -0.84 0.00 0.00 28.75 28.46 2qub h GLU 148 CO -0.32 0.00 -0.92 -1.13 -1.40 0.00 0.00 179.01 175.25 2qub n SER 149 N -3.11 1.80 0.00 1.42 3.41 -0.69 -4.96 113.62 111.49 2qub n SER 149 Ca -0.02 -2.63 -0.09 0.00 -0.26 0.00 0.00 58.87 55.87 2qub n SER 149 Cb 0.16 -0.40 -0.03 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 1.56 -0.51 0.15 1.04 5.85 -1.06 -1.70 115.31 120.63 2qub h LEU 150 Ca -0.08 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2qub h LEU 150 Cb 1.51 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.78 2qub h LEU 150 CO 0.18 -0.21 -0.07 0.40 -0.34 0.00 0.00 178.44 178.40 2qub h ILE 151 N -0.21 0.97 -0.74 4.05 2.04 -1.89 -0.95 117.51 120.77 2qub h ILE 151 Ca 0.09 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2qub h ILE 151 Cb 0.35 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2qub h ILE 151 CO -0.25 0.12 0.43 1.23 0.00 0.00 0.00 178.15 179.69 2qub h GLY 152 N -0.45 1.09 0.88 5.37 0.00 -1.97 -1.69 103.07 106.29 2qub h GLY 152 Ca -0.02 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 2qub h GLY 152 CO 0.03 0.45 0.07 -1.80 0.00 0.00 0.00 176.54 175.29 2qub h ASP 153 N 1.02 0.38 -0.83 0.19 3.58 -1.27 -2.65 116.42 116.84 2qub h ASP 153 Ca 0.26 -0.22 0.04 0.00 0.42 0.00 0.00 57.03 57.53 2qub h ASP 153 Cb -0.01 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 40.89 2qub h ASP 153 CO -0.05 0.50 0.55 0.74 -2.88 0.00 0.00 179.24 178.10 2qub h THR 154 N 0.24 1.12 -0.46 2.25 2.02 -0.92 -2.11 112.91 115.06 2qub h THR 154 Ca 0.08 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 2qub h THR 154 Cb 0.27 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 2qub h THR 154 CO -0.00 0.18 0.18 0.40 0.37 0.00 0.00 175.52 176.66 2qub h ILE 155 N 1.01 1.21 -0.51 3.11 2.04 -1.05 -0.12 117.51 123.19 2qub h ILE 155 Ca 0.33 -0.64 0.08 0.00 1.00 0.00 0.00 64.86 65.63 2qub h ILE 155 Cb 0.06 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 2qub h ILE 155 CO -0.10 0.24 0.17 1.23 0.00 0.00 0.00 178.15 179.68 2qub h GLY 156 N 0.60 0.68 1.02 5.37 0.00 -1.11 -2.13 103.07 107.50 2qub h GLY 156 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2qub h GLY 156 CO -0.01 -0.01 0.42 -0.55 0.00 0.00 0.00 176.54 176.38 2qub h ASP 157 N 0.33 1.02 -0.19 0.19 3.32 -0.90 -2.44 116.42 117.75 2qub h ASP 157 Ca 0.25 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 2qub h ASP 157 Cb 0.29 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2qub h ASP 157 CO -0.27 0.85 -0.03 0.58 -1.72 0.00 0.00 179.24 178.65 2qub h VAL 158 N 1.13 1.20 -0.34 -1.35 2.07 -0.69 0.60 116.25 118.86 2qub h VAL 158 Ca 0.28 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2qub h VAL 158 Cb 0.07 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2qub h VAL 158 CO -0.04 0.27 0.12 0.40 0.02 0.00 0.00 177.57 178.34 2qub h ILE 159 N 0.47 1.20 -0.60 4.57 2.04 -0.96 -0.45 117.51 123.77 2qub h ILE 159 Ca 0.10 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.37 2qub h ILE 159 Cb 0.35 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 2qub h ILE 159 CO 0.01 0.22 0.35 0.78 0.00 0.00 0.00 178.15 179.51 2qub h ASN 160 N 0.40 0.55 -0.43 1.72 -0.26 -0.92 -1.37 115.58 115.28 2qub h ASN 160 Ca 0.11 0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.90 2qub h ASN 160 Cb 0.22 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.34 2qub h ASN 160 CO -0.01 0.38 0.20 0.44 -1.06 0.00 0.00 177.43 177.38 2qub h ASP 161 N 0.68 0.27 -0.53 5.81 3.32 -0.70 -1.51 116.42 123.77 2qub h ASP 161 Ca 0.25 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 2qub h ASP 161 Cb 0.07 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2qub h ASP 161 CO -0.13 0.20 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.51 2qub h LEU 162 N 0.40 0.96 -0.94 1.55 3.38 -0.80 -2.70 115.31 117.16 2qub h LEU 162 Ca 0.19 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 2qub h LEU 162 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2qub h LEU 162 CO -0.15 1.02 -0.46 -0.07 0.09 0.00 0.00 178.44 178.87 2qub h LEU 163 N 0.90 0.00 -0.98 1.67 3.38 -1.05 0.35 115.31 119.57 2qub h LEU 163 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2qub h LEU 163 Cb 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2qub h LEU 163 CO 0.03 0.46 0.32 0.00 0.09 0.00 0.00 178.44 179.34 2qub h ALA 164 N 1.54 1.20 0.00 1.53 0.00 -0.96 0.18 119.26 122.74 2qub h ALA 164 Ca -0.00 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 2qub h ALA 164 Cb 0.93 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2qub h ALA 164 CO 0.06 0.60 -1.36 0.78 0.00 0.00 0.00 179.25 179.32 2qub h GLY 165 N 1.09 0.00 0.00 0.00 0.00 -1.28 -3.42 103.07 99.46 2qub h GLY 165 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2qub h GLY 165 CO -0.03 0.01 0.00 0.69 0.00 0.00 0.00 176.54 177.21 2qub n PHE 166 N -3.20 0.00 -1.20 5.60 3.72 0.08 -4.61 117.46 117.86 2qub n PHE 166 Ca -0.09 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 2qub n PHE 166 Cb 1.00 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 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 -0.09 1.37 3.77 1.37 0.00 0.62 -4.95 105.19 107.28 2qub n GLY 167 Ca 0.00 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 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 2.47 2.37 0.19 1.61 0.02 -1.26 -4.94 135.00 135.45 2qub s PRO 168 Ca 0.00 1.16 -0.33 0.00 0.02 0.00 0.00 61.00 61.85 2qub s PRO 168 Cb 0.00 -1.91 -0.14 0.00 0.02 0.00 0.00 34.50 32.46 2qub s PRO 168 CO 0.00 -1.56 1.39 1.17 -0.33 0.00 0.00 177.00 177.67 2qub n LYS 169 N -3.41 1.76 -1.00 5.54 4.81 -1.26 -2.31 118.16 122.28 2qub n LYS 169 Ca 0.09 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 2qub n LYS 169 Cb 0.53 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.30 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 2.48 0.51 0.14 3.14 0.00 -1.26 -4.94 105.19 105.25 2qub n GLY 170 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.25 -0.37 1.61 3.20 -1.80 -0.47 116.97 118.90 2qub h TYR 171 Ca 0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2qub h TYR 171 Cb 0.06 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2qub h TYR 171 CO 0.04 -0.15 0.22 0.00 -1.64 0.00 0.00 178.16 176.62 2qub h ALA 172 N 0.76 0.47 -0.66 1.82 0.00 -1.86 -2.17 119.26 117.62 2qub h ALA 172 Ca 0.03 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2qub h ALA 172 Cb 0.21 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2qub h ALA 172 CO -0.07 -0.03 0.44 -0.44 0.00 0.00 0.00 179.25 179.15 2qub h ASP 173 N 0.48 0.46 0.65 0.00 3.32 -1.87 -2.58 116.42 116.88 2qub h ASP 173 Ca 0.13 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2qub h ASP 173 Cb 0.02 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2qub h ASP 173 CO -0.02 0.28 -0.29 0.61 -1.72 0.00 0.00 179.24 178.09 2qub n GLY 174 N -1.50 -1.29 0.21 2.75 0.00 -0.21 -4.50 105.19 100.66 2qub n GLY 174 Ca 0.11 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 0.08 -0.43 -0.19 1.61 5.03 -1.02 -1.49 116.97 120.56 2qub h TYR 175 Ca 0.00 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.23 2qub h TYR 175 Cb 0.49 0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.94 2qub h TYR 175 CO 0.00 -0.24 -0.28 1.15 -1.32 0.00 0.00 178.16 177.46 2qub h THR 176 N -0.31 1.27 -0.33 1.81 2.02 -1.80 0.12 112.91 115.68 2qub h THR 176 Ca 0.03 -1.27 -0.05 0.00 0.77 0.00 0.00 66.41 65.88 2qub h THR 176 Cb 0.34 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2qub h THR 176 CO -0.10 0.40 0.01 0.25 0.37 0.00 0.00 175.52 176.44 2qub h LEU 177 N 0.33 0.56 -0.50 2.58 5.85 -1.76 0.61 115.31 122.97 2qub h LEU 177 Ca 0.05 -0.30 -0.17 0.00 0.84 0.00 0.00 57.88 58.30 2qub h LEU 177 Cb 0.67 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2qub h LEU 177 CO 0.05 0.73 -0.64 0.11 -0.34 0.00 0.00 178.44 178.34 2qub h LYS 178 N 0.38 0.40 -0.01 1.25 1.57 -1.02 -1.40 116.57 117.74 2qub h LYS 178 Ca 0.09 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 58.47 2qub h LYS 178 Cb 0.44 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.80 2qub h LYS 178 CO 0.02 0.91 -0.42 0.00 -0.57 0.00 0.00 179.45 179.39 2qub h ALA 179 N 1.01 0.06 0.00 3.86 0.00 -0.72 -3.18 119.26 120.29 2qub h ALA 179 Ca -0.01 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 2qub h ALA 179 Cb 1.19 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 2qub h ALA 179 CO 0.11 0.22 -0.59 1.19 0.00 0.00 0.00 179.25 180.18 2qub n PHE 180 N -4.36 0.00 -0.15 0.00 3.72 0.20 -0.65 117.46 116.21 2qub n PHE 180 Ca -0.10 -0.47 -0.03 0.00 -0.05 0.00 0.00 57.45 56.80 2qub n PHE 180 Cb 0.59 -0.12 0.05 0.00 -0.94 0.00 0.00 39.48 39.06 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 0.42 0.50 0.80 1.37 0.00 -1.19 -0.46 103.07 104.51 2qub h GLY 181 Ca -0.07 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 2qub h GLY 181 CO 0.03 -0.12 -0.04 -0.57 0.00 0.00 0.00 176.54 175.84 2qub h ASN 182 N 0.13 0.37 -0.44 0.19 -1.24 -1.90 -2.74 115.58 109.94 2qub h ASN 182 Ca 0.24 -0.36 0.06 0.00 0.71 0.00 0.00 56.30 56.95 2qub h ASN 182 Cb 0.35 -0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.25 2qub h ASN 182 CO -0.38 0.64 0.14 0.25 -1.29 0.00 0.00 177.43 176.79 2qub h LEU 183 N 0.09 0.13 -1.43 0.34 5.85 -1.85 -1.84 115.31 116.60 2qub h LEU 183 Ca 0.05 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 2qub h LEU 183 Cb 0.47 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2qub h LEU 183 CO 0.02 0.11 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.95 2qub h LEU 184 N 0.30 0.11 -0.31 2.25 3.38 -1.06 0.28 115.31 120.27 2qub h LEU 184 Ca 0.21 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2qub h LEU 184 Cb 0.22 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2qub h LEU 184 CO -0.23 0.33 0.09 1.23 0.09 0.00 0.00 178.44 179.95 2qub h GLY 185 N 0.77 0.53 1.01 0.83 0.00 -1.09 -1.81 103.07 103.30 2qub h GLY 185 Ca 0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 2qub h GLY 185 CO 0.03 0.30 0.32 -0.55 0.00 0.00 0.00 176.54 176.64 2qub h ASP 186 N 0.34 0.89 -0.41 0.19 3.32 -0.54 -2.39 116.42 117.83 2qub h ASP 186 Ca 0.10 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 2qub h ASP 186 Cb 0.27 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2qub h ASP 186 CO -0.00 0.78 0.09 0.58 -1.72 0.00 0.00 179.24 178.96 2qub h VAL 187 N 0.94 1.22 -0.30 -1.35 2.07 -0.87 -1.44 116.25 116.52 2qub h VAL 187 Ca 0.23 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2qub h VAL 187 Cb 0.13 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2qub h VAL 187 CO -0.03 0.29 0.08 0.00 0.02 0.00 0.00 177.57 177.94 2qub h ALA 188 N 1.39 0.39 -0.74 1.67 0.00 -1.05 -0.22 119.26 120.71 2qub h ALA 188 Ca 0.15 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2qub h ALA 188 Cb 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2qub h ALA 188 CO 0.00 0.04 0.26 0.87 0.00 0.00 0.00 179.25 180.43 2qub h LYS 189 N 0.32 1.11 0.05 0.00 1.57 -1.24 -0.90 116.57 117.48 2qub h LYS 189 Ca 0.09 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2qub h LYS 189 Cb 0.27 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2qub h LYS 189 CO -0.00 0.92 -0.02 0.35 -0.57 0.00 0.00 179.45 180.13 2qub h PHE 190 N 1.08 -0.06 -0.18 -1.35 3.57 -1.11 -1.11 116.94 117.78 2qub h PHE 190 Ca 0.24 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.79 2qub h PHE 190 Cb 0.25 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 2qub h PHE 190 CO 0.02 0.01 -0.15 0.00 -2.23 0.00 0.00 178.31 175.96 2qub h ALA 191 N 0.84 -0.02 -0.92 2.41 0.00 -0.81 -2.13 119.26 118.63 2qub h ALA 191 Ca -0.01 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2qub h ALA 191 Cb 0.10 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2qub h ALA 191 CO 0.01 -0.58 0.61 1.96 0.00 0.00 0.00 179.25 181.25 2qub h GLN 192 N -0.16 1.14 0.00 0.00 4.20 -1.05 -0.39 115.11 118.86 2qub h GLN 192 Ca 0.11 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 2qub h GLN 192 Cb 0.32 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2qub h GLN 192 CO -0.27 0.76 -0.11 0.00 -0.67 0.00 0.00 178.83 178.53 2qub h ALA 193 N 1.45 1.59 -0.61 3.87 0.00 -0.57 -1.96 119.26 123.04 2qub h ALA 193 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2qub h ALA 193 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qub h ALA 193 CO -0.10 0.14 0.00 0.72 0.00 0.00 0.00 179.25 180.01 2qub n HIS 194 N -4.09 1.51 -1.09 0.00 8.25 -0.26 -4.93 115.22 114.61 2qub n HIS 194 Ca -0.02 -0.59 -0.03 0.00 -0.26 0.00 0.00 57.72 56.82 2qub n HIS 194 Cb 0.20 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 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 1.05 0.62 3.92 -1.41 0.00 -0.73 -4.93 105.19 103.70 2qub n GLY 195 Ca 0.25 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.68 4.28 0.51 0.99 1.43 -0.57 -5.00 118.68 119.63 2qub s LEU 196 Ca 0.00 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 2qub s LEU 196 Cb 0.00 -3.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 2qub s LEU 196 CO 0.00 0.03 0.09 -0.94 0.23 0.00 0.00 176.35 175.76 2qub s SER 197 N -2.92 4.23 0.41 2.29 1.04 -1.26 -3.84 113.70 113.64 2qub s SER 197 Ca 0.38 -1.54 0.15 0.00 0.48 0.00 0.00 55.95 55.42 2qub s SER 197 Cb -0.12 0.42 1.03 0.00 0.10 0.00 0.00 66.02 67.46 2qub s SER 197 CO 0.28 -0.87 1.89 1.23 0.98 0.00 0.00 173.24 176.75 2qub h GLY 198 N 1.26 0.82 1.98 7.32 0.00 -1.91 -0.45 103.07 112.08 2qub h GLY 198 Ca -0.43 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2qub h GLY 198 CO 0.71 0.05 0.00 1.18 0.00 0.00 0.00 176.54 178.48 2qub n GLU 199 N -4.50 0.01 -0.26 4.80 1.02 -1.25 -1.92 120.64 118.53 2qub n GLU 199 Ca 0.16 0.26 0.08 0.00 -0.02 0.00 0.00 57.16 57.64 2qub n GLU 199 Cb 0.57 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.70 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 2.66 -4.36 1.62 8.00 -0.18 -4.78 116.55 118.02 2qub n ASP 200 Ca 0.03 -2.04 -0.33 0.00 0.71 0.00 0.00 54.79 53.17 2qub n ASP 200 Cb 0.16 -0.34 -0.15 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.41 2.78 -0.15 2.53 1.01 -0.81 -1.85 120.40 122.50 2qub s VAL 201 Ca 0.32 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 2qub s VAL 201 Cb 0.17 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2qub s VAL 201 CO 0.21 0.55 -0.03 0.54 0.00 0.00 0.00 175.10 176.37 2qub s VAL 202 N 0.05 3.92 -0.15 2.92 0.11 -0.22 -1.61 120.40 125.42 2qub s VAL 202 Ca -0.06 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 2qub s VAL 202 Cb -0.15 -2.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.99 2qub s VAL 202 CO 0.05 0.50 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.45 2qub s VAL 203 N 0.31 2.41 0.28 2.04 1.01 0.11 -0.72 120.40 125.84 2qub s VAL 203 Ca -0.03 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2qub s VAL 203 Cb -0.14 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 2qub s VAL 203 CO 0.03 0.53 0.34 -0.24 0.00 0.00 0.00 175.10 175.75 2qub n SER 204 N 4.10 -0.92 0.00 3.32 2.88 -0.06 -1.33 113.62 121.62 2qub n SER 204 Ca -0.19 -2.63 0.00 0.00 -1.33 0.00 0.00 58.87 54.72 2qub n SER 204 Cb 0.52 1.82 0.00 0.00 -0.75 0.00 0.00 64.21 65.79 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 -0.49 3.49 3.15 0.46 0.00 -1.25 -1.53 105.19 109.02 2qub n GLY 205 Ca 0.03 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 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 1.68 0.00 1.61 2.46 -1.25 -0.85 115.29 116.94 2qub s HIS 206 Ca 0.00 -0.41 0.00 0.00 0.47 0.00 0.00 55.06 55.12 2qub s HIS 206 Cb 0.00 -1.11 0.00 0.00 -0.13 0.00 0.00 32.58 31.34 2qub s HIS 206 CO 0.00 -0.10 0.00 0.45 -2.47 0.00 0.00 174.74 172.62 2qub n SER 207 N 2.92 0.00 0.09 9.88 2.88 -0.22 -0.60 113.62 128.56 2qub n SER 207 Ca -0.17 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.55 2qub n SER 207 Cb 0.53 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.69 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 -0.86 2.46 5.85 -1.85 0.14 115.31 121.04 2qub h LEU 208 Ca 0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2qub h LEU 208 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2qub h LEU 208 CO 0.00 0.00 -0.02 1.23 -0.34 0.00 0.00 178.44 179.31 2qub h GLY 209 N 0.00 0.88 1.00 3.75 0.00 -0.82 -1.17 103.07 106.70 2qub h GLY 209 Ca 0.17 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 2qub h GLY 209 CO -0.00 0.56 0.07 -1.33 0.00 0.00 0.00 176.54 175.84 2qub h GLY 210 N 0.98 0.94 0.57 4.60 0.00 -0.80 -1.44 103.07 107.92 2qub h GLY 210 Ca 0.14 -0.64 0.08 0.00 0.00 0.00 0.00 47.33 46.92 2qub h GLY 210 CO 0.02 0.59 0.46 -2.00 0.00 0.00 0.00 176.54 175.62 2qub h LEU 211 N 0.75 0.67 -1.26 3.11 6.46 -0.88 -1.70 115.31 122.45 2qub h LEU 211 Ca 0.15 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.91 2qub h LEU 211 Cb 0.43 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 2qub h LEU 211 CO 0.01 0.40 -0.01 0.00 -0.62 0.00 0.00 178.44 178.22 2qub h ALA 212 N 1.43 1.40 -0.16 1.25 0.00 -0.74 -0.06 119.26 122.38 2qub h ALA 212 Ca 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2qub h ALA 212 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2qub h ALA 212 CO -0.23 0.42 0.05 0.28 0.00 0.00 0.00 179.25 179.77 2qub h VAL 213 N 0.47 1.19 -0.62 0.00 2.07 -0.42 -1.05 116.25 117.89 2qub h VAL 213 Ca 0.10 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 2qub h VAL 213 Cb 0.32 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2qub h VAL 213 CO 0.01 0.18 0.17 0.78 0.02 0.00 0.00 177.57 178.73 2qub h ASN 214 N 0.08 0.89 -0.05 0.57 2.35 -0.99 -1.81 115.58 116.61 2qub h ASN 214 Ca 0.05 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2qub h ASN 214 Cb 0.24 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2qub h ASN 214 CO -0.00 0.86 0.03 -1.28 -1.65 0.00 0.00 177.43 175.38 2qub h SER 215 N 0.92 0.07 -0.32 5.81 0.87 -0.92 -0.35 113.55 119.63 2qub h SER 215 Ca 0.20 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.70 2qub h SER 215 Cb 0.30 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 2qub h SER 215 CO -0.00 0.16 0.08 -0.03 -0.53 0.00 0.00 176.83 176.50 2qub h MET 216 N -0.02 0.19 -0.69 2.24 1.85 -1.01 -1.91 114.93 115.59 2qub h MET 216 Ca 0.02 -0.01 0.08 0.00 -0.61 0.00 0.00 59.70 59.18 2qub h MET 216 Cb 0.11 -0.04 -0.07 0.00 0.43 0.00 0.00 31.60 32.03 2qub h MET 216 CO -0.00 0.13 0.35 0.00 -0.40 0.00 0.00 176.91 176.98 2qub h ALA 217 N 1.23 0.93 0.00 0.39 0.00 -1.21 -1.06 119.26 119.55 2qub h ALA 217 Ca 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2qub h ALA 217 Cb 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qub h ALA 217 CO -0.19 -0.03 -0.10 0.00 0.00 0.00 0.00 179.25 178.94 2qub h ALA 218 N 1.40 1.38 -0.01 0.00 0.00 -0.34 -2.50 119.26 119.19 2qub h ALA 218 Ca 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qub h ALA 218 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2qub h ALA 218 CO -0.24 0.12 -0.63 1.04 0.00 0.00 0.00 179.25 179.54 2qub n GLN 219 N -3.75 0.74 0.22 0.00 1.13 -0.78 -4.64 117.38 110.29 2qub n GLN 219 Ca -0.02 -0.60 0.09 0.00 -1.94 0.00 0.00 57.00 54.53 2qub n GLN 219 Cb 0.20 -1.49 0.43 0.00 0.11 0.00 0.00 30.24 29.50 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 1.45 0.00 -0.20 1.08 4.64 -0.75 -1.64 113.55 118.14 2qub h SER 220 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 2qub h SER 220 Cb 0.64 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2qub h SER 220 CO 0.00 0.25 -0.48 0.44 -0.87 0.00 0.00 176.83 176.18 2qub h ASP 221 N 0.00 0.83 0.03 4.97 3.32 -1.82 -3.30 116.42 120.45 2qub h ASP 221 Ca -0.00 -0.41 -0.34 0.00 0.02 0.00 0.00 57.03 56.29 2qub h ASP 221 Cb 0.77 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 2qub h ASP 221 CO 0.03 1.17 -2.32 0.00 -1.72 0.00 0.00 179.24 176.40 2qub n ALA 222 N -2.54 1.59 -2.42 3.45 0.00 -1.14 -4.34 120.51 115.11 2qub n ALA 222 Ca -0.03 -1.25 -0.19 0.00 0.00 0.00 0.00 53.44 51.97 2qub n ALA 222 Cb 0.58 -0.26 -0.01 0.00 0.00 0.00 0.00 19.45 19.76 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 -5.46 5.83 -1.38 0.00 0.01 -0.63 -4.50 114.94 108.81 2qub s ASN 223 Ca -0.10 -0.26 -0.09 0.00 -0.71 0.00 0.00 52.86 51.70 2qub s ASN 223 Cb 0.07 -1.13 0.06 0.00 0.41 0.00 0.00 41.25 40.66 2qub s ASN 223 CO 0.83 -0.46 0.58 0.79 -1.51 0.00 0.00 177.10 177.34 2qub n TRP 224 N -1.62 -1.89 -1.29 2.20 8.01 -1.26 -1.40 117.44 120.19 2qub n TRP 224 Ca 0.01 0.54 -0.10 0.00 -1.31 0.00 0.00 57.50 56.64 2qub n TRP 224 Cb 0.58 -3.37 -0.04 0.00 -2.01 0.00 0.00 31.31 26.47 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 -1.31 1.04 2.41 6.99 0.00 -1.26 -1.74 105.19 111.32 2qub n GLY 225 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.48 0.75 0.36 -0.02 0.00 -0.50 -4.94 105.19 100.36 2qub n GLY 226 Ca -0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 1.11 -0.59 1.61 3.57 -1.51 -1.86 116.94 119.26 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 0.00 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.40 2qub h PHE 227 CO 0.00 0.38 0.00 0.66 -2.23 0.00 0.00 178.31 177.12 2qub n TYR 228 N -4.67 0.90 -0.25 0.41 4.01 -1.26 -3.40 117.16 112.90 2qub n TYR 228 Ca 0.20 -0.42 0.06 0.00 -0.16 0.00 0.00 57.90 57.58 2qub n TYR 228 Cb 0.41 -0.05 0.31 0.00 -0.31 0.00 0.00 39.34 39.70 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 4.05 1.64 -0.45 -0.72 0.00 -1.41 -1.93 119.26 120.44 2qub h ALA 229 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2qub h ALA 229 Cb 0.90 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2qub h ALA 229 CO 0.04 0.20 0.04 1.04 0.00 0.00 0.00 179.25 180.58 2qub n GLN 230 N -4.50 3.67 -1.21 0.00 1.13 -1.26 -4.93 117.38 110.28 2qub n GLN 230 Ca 0.13 -3.02 -0.29 0.00 -1.94 0.00 0.00 57.00 51.88 2qub n GLN 230 Cb 0.26 -2.05 0.15 0.00 0.11 0.00 0.00 30.24 28.71 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 -1.44 3.13 -0.48 1.08 0.01 -0.73 -3.94 113.70 111.34 2qub s SER 231 Ca 0.49 1.33 -0.16 0.00 1.31 0.00 0.00 55.95 58.92 2qub s SER 231 Cb 0.39 -2.00 0.08 0.00 0.21 0.00 0.00 66.02 64.69 2qub s SER 231 CO 0.11 -2.83 0.41 0.20 0.41 0.00 0.00 173.24 171.54 2qub s ASN 232 N -3.47 6.15 -0.38 2.44 0.01 -0.63 -4.98 114.94 114.08 2qub s ASN 232 Ca 0.64 -1.38 -0.13 0.00 -0.71 0.00 0.00 52.86 51.29 2qub s ASN 232 Cb -0.18 -2.19 0.02 0.00 0.41 0.00 0.00 41.25 39.31 2qub s ASN 232 CO 0.57 -0.67 0.24 -0.31 -1.51 0.00 0.00 177.10 175.42 2qub s TYR 233 N 1.64 3.23 -0.26 2.20 2.02 -1.24 -0.71 117.35 124.23 2qub s TYR 233 Ca 0.04 -0.69 0.02 0.00 -0.37 0.00 0.00 57.07 56.07 2qub s TYR 233 Cb -0.25 -2.49 0.07 0.00 -0.40 0.00 0.00 41.96 38.88 2qub s TYR 233 CO 0.06 -0.57 -0.06 0.08 -1.57 0.00 0.00 175.55 173.49 2qub s VAL 234 N 1.63 1.89 -0.15 0.71 1.01 -0.44 -1.72 120.40 123.33 2qub s VAL 234 Ca 0.04 -1.57 -0.04 0.00 0.00 0.00 0.00 61.98 60.41 2qub s VAL 234 Cb -0.19 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2qub s VAL 234 CO 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 175.10 175.01 2qub s ALA 235 N 1.20 3.09 -0.14 5.51 0.00 -0.45 -3.87 121.76 127.11 2qub s ALA 235 Ca -0.04 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 2qub s ALA 235 Cb -0.19 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 2qub s ALA 235 CO -0.07 0.25 0.05 -0.06 0.00 0.00 0.00 175.76 175.93 2qub s PHE 236 N 0.23 3.26 -1.35 0.00 0.40 -0.03 -0.77 117.98 119.72 2qub s PHE 236 Ca -0.01 0.15 -0.07 0.00 -0.60 0.00 0.00 56.93 56.40 2qub s PHE 236 Cb -0.14 -1.96 0.04 0.00 0.51 0.00 0.00 43.02 41.48 2qub s PHE 236 CO 0.02 0.32 0.48 0.00 0.70 0.00 0.00 175.22 176.75 2qub n ALA 237 N 2.89 -1.01 -1.83 5.36 0.00 -0.24 -1.06 120.51 124.61 2qub n ALA 237 Ca -0.18 0.15 -0.40 0.00 0.00 0.00 0.00 53.44 53.01 2qub n ALA 237 Cb 0.53 -3.02 -0.04 0.00 0.00 0.00 0.00 19.45 16.92 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 -2.65 7.25 0.47 0.00 0.15 -1.26 -3.55 113.70 114.10 2qub s SER 238 Ca 0.33 2.24 0.27 0.00 0.70 0.00 0.00 55.95 59.49 2qub s SER 238 Cb -0.17 -2.62 0.82 0.00 -1.71 0.00 0.00 66.02 62.34 2qub s SER 238 CO 0.41 -0.18 1.78 1.55 1.20 0.00 0.00 173.24 178.00 2qub h PRO 239 N 4.15 0.00 -6.15 5.44 0.13 -1.79 0.35 132.00 134.14 2qub h PRO 239 Ca -0.46 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.11 2qub h PRO 239 Cb 1.21 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 2qub h PRO 239 CO 0.68 0.09 -0.61 0.95 -0.23 0.00 0.00 178.00 178.88 2qub s THR 240 N -3.45 3.23 -0.05 1.56 -4.23 -1.26 -0.76 115.64 110.69 2qub s THR 240 Ca 0.03 -1.87 0.02 0.00 -1.18 0.00 0.00 61.69 58.70 2qub s THR 240 Cb 0.08 -2.87 0.01 0.00 1.34 0.00 0.00 72.50 71.06 2qub s THR 240 CO 0.62 -0.30 -0.08 -1.10 -0.54 0.00 0.00 174.62 173.22 2qub s GLN 241 N -3.72 1.15 -0.28 3.99 1.11 -0.54 -4.88 119.66 116.49 2qub s GLN 241 Ca 0.33 -0.26 -0.08 0.00 0.01 0.00 0.00 55.36 55.37 2qub s GLN 241 Cb -0.05 -1.04 -0.01 0.00 -1.01 0.00 0.00 33.01 30.91 2qub s GLN 241 CO 0.21 0.00 0.10 -0.47 0.01 0.00 0.00 175.29 175.14 2qub s TYR 242 N 0.64 3.13 0.00 0.91 5.04 -1.26 -4.52 117.35 121.30 2qub s TYR 242 Ca -0.11 -0.66 0.00 0.00 -2.44 0.00 0.00 57.07 53.87 2qub s TYR 242 Cb -0.14 -2.28 0.00 0.00 0.35 0.00 0.00 41.96 39.89 2qub s TYR 242 CO 0.02 -0.46 0.00 0.39 -1.34 0.00 0.00 175.55 174.15 2qub n GLU 243 N 4.92 4.97 -1.80 4.97 1.02 -1.26 -4.36 120.64 129.11 2qub n GLU 243 Ca -0.15 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.57 2qub n GLU 243 Cb 0.50 -0.64 -0.03 0.00 -0.02 0.00 0.00 31.44 31.24 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 -1.29 3.64 0.00 0.62 0.00 -1.26 -2.51 121.76 120.96 2qub s ALA 244 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2qub s ALA 244 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2qub s ALA 244 CO 0.00 -1.39 0.00 0.41 0.00 0.00 0.00 175.76 174.78 2qub n GLY 245 N 4.29 1.01 3.10 0.00 0.00 -1.26 -4.46 105.19 107.88 2qub n GLY 245 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.30 0.09 -0.02 0.00 -1.04 -4.94 105.19 96.98 2qub n GLY 246 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.91 0.00 -6.16 1.61 1.57 -1.83 -3.46 116.57 106.39 2qub h LYS 247 Ca -0.46 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.63 2qub h LYS 247 Cb 1.31 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.33 2qub h LYS 247 CO 0.47 0.44 -0.84 0.08 -0.57 0.00 0.00 179.45 179.03 2qub s VAL 248 N -2.83 2.44 -0.20 0.50 1.01 -1.26 -3.70 120.40 116.35 2qub s VAL 248 Ca -0.02 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 2qub s VAL 248 Cb 0.08 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2qub s VAL 248 CO 0.81 0.57 0.08 -0.51 0.00 0.00 0.00 175.10 176.05 2qub s ILE 249 N -0.37 4.78 -0.43 2.22 2.07 -0.70 -4.81 121.20 123.97 2qub s ILE 249 Ca 0.03 -0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.13 2qub s ILE 249 Cb -0.12 -3.18 0.08 0.00 0.13 0.00 0.00 42.46 39.36 2qub s ILE 249 CO 0.02 0.42 0.29 0.20 -1.91 0.00 0.00 174.94 173.96 2qub s ASN 250 N 0.73 5.76 -0.15 4.50 0.01 0.32 -1.34 114.94 124.77 2qub s ASN 250 Ca 0.04 -1.47 -0.06 0.00 -0.71 0.00 0.00 52.86 50.66 2qub s ASN 250 Cb -0.13 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 2qub s ASN 250 CO 0.02 -0.57 0.06 -0.63 -1.51 0.00 0.00 177.10 174.47 2qub s ILE 251 N 1.48 4.76 0.01 0.60 1.01 0.05 -1.68 121.20 127.43 2qub s ILE 251 Ca 0.03 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 2qub s ILE 251 Cb -0.23 -3.11 0.11 0.00 0.01 0.00 0.00 42.46 39.24 2qub s ILE 251 CO 0.03 0.51 1.26 -0.83 0.00 0.00 0.00 174.94 175.91 2qub s GLY 252 N -0.06 -0.27 -0.03 6.18 0.00 -1.26 -1.08 107.32 110.80 2qub s GLY 252 Ca 0.06 0.38 -0.14 0.00 0.00 0.00 0.00 44.72 45.02 2qub s GLY 252 CO 0.01 2.08 0.38 -0.19 0.00 0.00 0.00 173.10 175.38 2qub s TYR 253 N -2.31 3.69 0.37 1.90 2.02 -1.26 -4.50 117.35 117.26 2qub s TYR 253 Ca 0.20 0.93 0.23 0.00 -0.37 0.00 0.00 57.07 58.05 2qub s TYR 253 Cb 0.02 -2.28 1.20 0.00 -0.40 0.00 0.00 41.96 40.50 2qub s TYR 253 CO -0.02 0.60 1.98 1.05 -1.57 0.00 0.00 175.55 177.60 2qub h GLU 254 N 4.97 0.00 -0.52 -0.62 4.11 -0.76 -1.72 114.58 120.05 2qub h GLU 254 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 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 0.63 0.19 0.00 0.27 0.07 0.00 0.00 179.01 180.17 2qub n ASN 255 N -3.75 2.77 -4.60 3.06 6.94 -1.26 -4.78 115.26 113.64 2qub n ASN 255 Ca -0.02 -2.00 -0.43 0.00 -0.02 0.00 0.00 54.58 52.12 2qub n ASN 255 Cb 0.30 -0.35 -0.03 0.00 -2.36 0.00 0.00 39.78 37.34 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 -1.01 6.70 0.36 0.53 -1.08 -0.65 -4.76 116.67 116.76 2qub s ASP 256 Ca 0.35 0.59 0.27 0.00 -0.52 0.00 0.00 52.55 53.24 2qub s ASP 256 Cb 0.18 -2.49 1.10 0.00 -1.46 0.00 0.00 42.92 40.25 2qub s ASP 256 CO 0.24 -0.95 1.81 1.55 0.52 0.00 0.00 175.17 178.33 2qub h PRO 257 N 8.61 0.00 0.07 4.34 0.13 -1.86 -2.51 132.00 140.78 2qub h PRO 257 Ca -0.23 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.65 2qub h PRO 257 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2qub h PRO 257 CO 1.02 0.00 -1.10 0.28 -0.23 0.00 0.00 178.00 177.97 2qub h VAL 258 N 0.00 1.47 -2.58 1.56 2.07 -1.92 -3.40 116.25 113.45 2qub h VAL 258 Ca 0.00 -2.82 -0.55 0.00 0.82 0.00 0.00 66.70 64.15 2qub h VAL 258 Cb 0.44 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 2qub h VAL 258 CO 0.00 0.83 1.14 0.12 0.02 0.00 0.00 177.57 179.67 2qub s PHE 259 N -2.92 1.87 -1.51 1.57 5.36 -0.95 -1.88 117.98 119.53 2qub s PHE 259 Ca -0.04 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.12 2qub s PHE 259 Cb 0.08 -3.97 0.00 0.00 -0.34 0.00 0.00 43.02 38.79 2qub s PHE 259 CO 0.87 -3.91 0.00 0.54 -1.46 0.00 0.00 175.22 171.26 2qub n ARG 260 N 7.37 -1.03 0.03 10.12 1.74 0.11 -4.91 116.66 130.09 2qub n ARG 260 Ca 0.19 0.97 0.11 0.00 -0.77 0.00 0.00 57.85 58.35 2qub n ARG 260 Cb 0.43 -5.11 0.56 0.00 -1.02 0.00 0.00 32.46 27.31 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 0.10 2.05 -2.86 7.54 0.00 -1.34 -3.41 119.26 121.34 2qub h ALA 261 Ca -0.30 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.00 2qub h ALA 261 Cb 0.99 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 2qub h ALA 261 CO 0.43 -0.14 -0.54 -0.51 0.00 0.00 0.00 179.25 178.50 2qub s LEU 262 N -9.19 4.06 -0.64 0.00 1.43 0.06 -4.13 118.68 110.28 2qub s LEU 262 Ca -0.07 0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 2qub s LEU 262 Cb 0.19 -2.68 0.16 0.00 0.03 0.00 0.00 46.19 43.89 2qub s LEU 262 CO 0.72 0.12 0.57 -0.62 0.23 0.00 0.00 176.35 177.37 2qub s ASP 263 N -2.77 6.24 0.50 2.29 -1.08 -0.39 -4.63 116.67 116.82 2qub s ASP 263 Ca 0.32 -2.22 0.00 0.00 -0.52 0.00 0.00 52.55 50.13 2qub s ASP 263 Cb -0.12 -2.15 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 2qub s ASP 263 CO 0.25 -0.69 0.00 0.61 0.52 0.00 0.00 175.17 175.86 2qub n GLY 264 N 4.59 1.70 0.04 2.66 0.00 -1.26 -1.54 105.19 111.37 2qub n GLY 264 Ca -0.01 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 0.88 -3.50 2.61 -2.24 -1.26 -1.46 114.28 109.31 2qub n THR 265 Ca 0.00 -0.94 -0.38 0.00 -2.27 0.00 0.00 64.05 60.46 2qub n THR 265 Cb 0.00 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.09 6.75 -0.03 3.42 0.01 -0.59 -4.93 113.70 117.23 2qub s SER 266 Ca 0.05 0.90 -0.30 0.00 1.31 0.00 0.00 55.95 57.91 2qub s SER 266 Cb 0.05 -2.24 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 2qub s SER 266 CO 0.00 0.28 1.08 -0.22 0.41 0.00 0.00 173.24 174.79 2qub s LEU 267 N -0.77 4.31 0.31 2.44 2.96 -1.26 -1.26 118.68 125.40 2qub s LEU 267 Ca 0.23 1.72 0.03 0.00 -0.22 0.00 0.00 54.13 55.89 2qub s LEU 267 Cb -0.16 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 2qub s LEU 267 CO 0.12 -0.44 0.10 0.42 -1.32 0.00 0.00 176.35 175.23 2qub s THR 268 N 1.63 0.74 0.19 3.68 -4.23 -1.26 -5.00 115.64 111.39 2qub s THR 268 Ca 0.53 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.92 2qub s THR 268 Cb -0.23 -2.64 0.11 0.00 1.34 0.00 0.00 72.50 71.09 2qub s THR 268 CO 0.24 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.29 2qub h LEU 269 N 2.20 0.07 -2.36 4.79 5.85 -1.98 0.10 115.31 123.98 2qub h LEU 269 Ca -0.38 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2qub h LEU 269 Cb 1.25 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2qub h LEU 269 CO 0.62 0.07 0.06 -0.65 -0.34 0.00 0.00 178.44 178.20 2qub h PRO 270 N 0.28 0.00 -0.46 5.25 0.11 -1.94 -2.49 132.00 132.76 2qub h PRO 270 Ca 0.25 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.50 2qub h PRO 270 Cb 0.32 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 2qub h PRO 270 CO -0.30 0.00 0.34 0.77 -0.21 0.00 0.00 178.00 178.59 2qub h SER 271 N 0.00 0.00 -0.46 -2.05 0.02 -1.12 -0.58 113.55 109.36 2qub h SER 271 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qub h SER 271 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2qub h SER 271 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 2qub n LEU 272 N -4.35 3.44 0.00 5.07 4.77 -0.94 -4.61 117.00 120.38 2qub n LEU 272 Ca 0.08 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 2qub n LEU 272 Cb 0.54 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2qub n LEU 272 CO 0.36 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 2qub n GLY 273 N 1.52 5.52 3.70 -0.72 0.00 -0.22 -4.44 105.19 110.55 2qub n GLY 273 Ca 0.20 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 2.47 4.84 -0.51 1.61 1.01 -1.25 -4.54 120.40 124.03 2qub s VAL 274 Ca 0.00 2.04 0.06 0.00 0.00 0.00 0.00 61.98 64.08 2qub s VAL 274 Cb 0.00 -4.31 0.22 0.00 0.00 0.00 0.00 36.38 32.29 2qub s VAL 274 CO 0.00 0.10 0.54 0.00 0.00 0.00 0.00 175.10 175.74 2qub n HIS 275 N 4.35 1.15 -0.91 5.22 1.44 -1.26 -4.74 115.22 120.47 2qub n HIS 275 Ca 0.07 -3.78 0.08 0.00 -2.01 0.00 0.00 57.72 52.08 2qub n HIS 275 Cb 0.50 -0.32 0.24 0.00 0.12 0.00 0.00 29.99 30.53 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 1.62 3.67 -4.74 4.39 2.03 -1.26 -4.84 116.55 117.41 2qub n ASP 276 Ca 0.25 -2.92 -0.42 0.00 0.52 0.00 0.00 54.79 52.23 2qub n ASP 276 Cb 0.46 -0.50 -0.02 0.00 -0.72 0.00 0.00 41.12 40.34 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 -2.64 3.71 0.31 -1.67 0.00 -1.26 -4.65 121.76 115.55 2qub s ALA 277 Ca 0.39 1.42 -0.29 0.00 0.00 0.00 0.00 51.96 53.49 2qub s ALA 277 Cb 0.31 -3.60 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 2qub s ALA 277 CO 0.09 -0.83 1.16 -1.25 0.00 0.00 0.00 175.76 174.93 2qub s PRO 278 N -0.07 4.49 0.00 0.00 0.04 -1.26 -5.04 135.00 133.17 2qub s PRO 278 Ca 0.63 1.92 0.02 0.00 0.04 0.00 0.00 61.00 63.61 2qub s PRO 278 Cb -0.44 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 2qub s PRO 278 CO 0.42 0.04 0.00 -1.01 0.04 0.00 0.00 177.00 176.49 2qub s HIS 279 N -1.19 3.07 0.33 0.56 3.76 -1.26 -5.04 115.29 115.52 2qub s HIS 279 Ca 0.47 0.07 0.01 0.00 -0.15 0.00 0.00 55.06 55.46 2qub s HIS 279 Cb -0.34 -1.66 0.57 0.00 1.11 0.00 0.00 32.58 32.26 2qub s HIS 279 CO 0.44 0.46 1.99 1.79 -0.85 0.00 0.00 174.74 178.57 2qub h THR 280 N 3.48 1.18 -0.01 1.30 1.35 -2.02 -2.50 112.91 115.70 2qub h THR 280 Ca -0.49 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 2qub h THR 280 Cb 1.18 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 2qub h THR 280 CO 0.58 0.18 -0.05 -1.54 -0.25 0.00 0.00 175.52 174.44 2qub n SER 281 N -4.42 1.30 -4.71 5.36 3.41 -1.26 -4.96 113.62 108.34 2qub n SER 281 Ca 0.07 -1.33 -0.28 0.00 -0.26 0.00 0.00 58.87 57.07 2qub n SER 281 Cb 0.05 0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 63.95 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 -2.11 3.36 -0.64 7.33 0.00 -0.94 -0.52 121.76 128.24 2qub s ALA 282 Ca 0.36 -1.19 -0.27 0.00 0.00 0.00 0.00 51.96 50.85 2qub s ALA 282 Cb 0.21 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 22.16 2qub s ALA 282 CO 0.37 0.61 1.19 0.95 0.00 0.00 0.00 175.76 178.88 2qub s THR 283 N -1.53 3.96 -1.24 0.00 -4.23 -0.67 -4.79 115.64 107.13 2qub s THR 283 Ca 0.28 0.62 0.26 0.00 -1.18 0.00 0.00 61.69 61.67 2qub s THR 283 Cb -0.11 -4.78 0.15 0.00 1.34 0.00 0.00 72.50 69.11 2qub s THR 283 CO 0.20 -1.51 1.58 0.59 -0.54 0.00 0.00 174.62 174.94 2qub n ASN 284 N 8.65 0.53 -2.23 3.99 3.02 -1.26 -4.43 115.26 123.53 2qub n ASN 284 Ca 0.05 -0.32 -0.04 0.00 -0.03 0.00 0.00 54.58 54.25 2qub n ASN 284 Cb 0.49 0.08 0.05 0.00 -0.61 0.00 0.00 39.78 39.78 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 -1.25 2.14 -4.66 6.41 3.02 -1.26 -4.71 115.26 114.94 2qub n ASN 285 Ca 0.08 -2.51 -0.38 0.00 -0.03 0.00 0.00 54.58 51.75 2qub n ASN 285 Cb 0.33 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 39.00 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 -3.16 5.26 -0.19 2.41 1.01 -1.26 -1.71 121.20 123.56 2qub s ILE 286 Ca 0.34 0.50 -0.09 0.00 0.00 0.00 0.00 60.65 61.40 2qub s ILE 286 Cb 0.36 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 2qub s ILE 286 CO -0.05 0.28 0.10 -0.69 0.00 0.00 0.00 174.94 174.57 2qub s VAL 287 N 1.30 5.11 -0.79 2.92 1.01 0.11 -0.06 120.40 129.99 2qub s VAL 287 Ca 0.14 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.99 2qub s VAL 287 Cb -0.14 -3.31 0.09 0.00 0.00 0.00 0.00 36.38 33.02 2qub s VAL 287 CO 0.07 0.46 1.06 0.21 0.00 0.00 0.00 175.10 176.90 2qub s ASN 288 N 0.28 6.38 -1.14 3.32 3.84 -1.26 -1.08 114.94 125.28 2qub s ASN 288 Ca 0.06 -1.47 -0.19 0.00 0.21 0.00 0.00 52.86 51.47 2qub s ASN 288 Cb -0.12 -2.42 0.08 0.00 -0.55 0.00 0.00 41.25 38.25 2qub s ASN 288 CO -0.01 -1.28 1.52 0.12 -2.79 0.00 0.00 177.10 174.66 2qub s PHE 289 N 3.53 2.82 0.38 0.43 5.36 -0.01 -4.73 117.98 125.76 2qub s PHE 289 Ca 0.28 -1.37 0.02 0.00 -0.96 0.00 0.00 56.93 54.90 2qub s PHE 289 Cb -0.11 -4.63 0.02 0.00 -0.34 0.00 0.00 43.02 37.97 2qub s PHE 289 CO 0.01 -1.77 0.17 0.27 -1.46 0.00 0.00 175.22 172.44 2qub n ASN 290 N 8.02 2.58 0.02 6.13 0.23 -1.26 -0.56 115.26 130.43 2qub n ASN 290 Ca 0.39 -2.46 0.04 0.00 -0.53 0.00 0.00 54.58 52.02 2qub n ASN 290 Cb 0.48 0.09 0.45 0.00 -2.08 0.00 0.00 39.78 38.72 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 0.65 0.43 0.14 0.53 5.19 -1.92 -1.31 116.42 120.11 2qub h ASP 291 Ca -0.27 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.12 2qub h ASP 291 Cb 0.92 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.32 2qub h ASP 291 CO 0.44 0.31 -0.07 -0.74 -3.12 0.00 0.00 179.24 176.06 2qub h HIS 292 N 0.50 -0.17 -0.86 4.55 2.76 -1.95 -2.79 115.15 117.20 2qub h HIS 292 Ca 0.14 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.37 2qub h HIS 292 Cb -0.05 0.06 -0.06 0.00 1.55 0.00 0.00 27.41 28.91 2qub h HIS 292 CO -0.00 0.20 0.56 -0.92 -1.30 0.00 0.00 177.93 176.47 2qub h TYR 293 N -0.58 0.97 0.00 5.26 3.20 -1.77 -2.15 116.97 121.90 2qub h TYR 293 Ca -0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2qub h TYR 293 Cb 0.45 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 2qub h TYR 293 CO 0.05 0.51 -0.08 0.00 -1.64 0.00 0.00 178.16 177.00 2qub h ALA 294 N 1.53 0.99 -2.15 1.82 0.00 -1.24 -3.45 119.26 116.76 2qub h ALA 294 Ca 0.37 -0.07 -0.60 0.00 0.00 0.00 0.00 54.91 54.60 2qub h ALA 294 Cb 0.22 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 2qub h ALA 294 CO -0.14 0.10 0.45 0.45 0.00 0.00 0.00 179.25 180.11 2qub s SER 295 N -5.98 6.61 0.26 0.00 0.15 -0.81 -4.93 113.70 109.01 2qub s SER 295 Ca 0.03 0.49 -0.03 0.00 0.70 0.00 0.00 55.95 57.13 2qub s SER 295 Cb 0.08 -2.42 0.37 0.00 -1.71 0.00 0.00 66.02 62.34 2qub s SER 295 CO 0.61 -0.74 1.90 0.44 1.20 0.00 0.00 173.24 176.64 2qub h ASP 296 N 8.40 1.07 -0.22 5.45 3.32 -1.86 -2.72 116.42 129.85 2qub h ASP 296 Ca -0.24 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 2qub h ASP 296 Cb 1.09 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 2qub h ASP 296 CO 0.93 0.71 0.11 0.00 -1.72 0.00 0.00 179.24 179.27 2qub h ALA 297 N 1.43 0.28 -0.73 3.45 0.00 -1.95 -2.47 119.26 119.28 2qub h ALA 297 Ca 0.42 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2qub h ALA 297 Cb 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2qub h ALA 297 CO -0.15 -0.17 0.48 -1.49 0.00 0.00 0.00 179.25 177.93 2qub h TRP 298 N 0.23 0.86 -0.25 0.00 4.06 -1.85 -2.61 115.95 116.39 2qub h TRP 298 Ca 0.08 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.05 2qub h TRP 298 Cb 0.10 -0.29 0.00 0.00 -1.00 0.00 0.00 29.16 27.97 2qub h TRP 298 CO -0.03 0.51 0.00 0.09 -3.56 0.00 0.00 178.44 175.46 2qub n ASN 299 N -4.45 1.44 0.27 -3.49 3.02 -0.95 -2.58 115.26 108.52 2qub n ASN 299 Ca 0.09 -2.02 0.17 0.00 -0.03 0.00 0.00 54.58 52.79 2qub n ASN 299 Cb 0.10 -0.20 0.68 0.00 -0.61 0.00 0.00 39.78 39.76 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 1.47 0.00 -9.92 3.41 3.38 -1.17 -3.43 115.31 109.05 2qub h LEU 300 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2qub h LEU 300 Cb 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2qub h LEU 300 CO 0.01 0.00 -0.00 -0.76 0.09 0.00 0.00 178.44 177.78 2qub s LEU 301 N -6.11 4.22 0.27 1.67 1.43 -1.07 -5.04 118.68 114.06 2qub s LEU 301 Ca 0.01 1.17 -0.29 0.00 -1.03 0.00 0.00 54.13 53.98 2qub s LEU 301 Cb 0.09 -3.66 -0.10 0.00 0.03 0.00 0.00 46.19 42.56 2qub s LEU 301 CO 0.54 -0.04 1.33 -2.84 0.23 0.00 0.00 176.35 175.57 2qub s PRO 302 N -2.45 4.35 0.07 1.29 0.02 -1.26 -4.97 135.00 132.05 2qub s PRO 302 Ca 0.46 2.18 -0.31 0.00 0.02 0.00 0.00 61.00 63.35 2qub s PRO 302 Cb -0.13 -3.12 -0.08 0.00 0.02 0.00 0.00 34.50 31.20 2qub s PRO 302 CO 0.20 -0.25 1.51 0.12 -0.33 0.00 0.00 177.00 178.24 2qub s PHE 303 N -0.52 2.81 -0.26 6.54 5.36 -1.26 -4.82 117.98 125.84 2qub s PHE 303 Ca 0.53 0.65 -0.26 0.00 -0.96 0.00 0.00 56.93 56.89 2qub s PHE 303 Cb -0.39 -3.80 0.14 0.00 -0.34 0.00 0.00 43.02 38.62 2qub s PHE 303 CO 0.46 -3.04 1.11 0.45 -1.46 0.00 0.00 175.22 172.74 2qub s SER 304 N 1.80 -0.34 0.56 6.13 0.15 -1.26 -3.92 113.70 116.82 2qub s SER 304 Ca 0.68 0.58 0.33 0.00 0.70 0.00 0.00 55.95 58.25 2qub s SER 304 Cb -0.37 0.57 1.82 0.00 -1.71 0.00 0.00 66.02 66.32 2qub s SER 304 CO 0.30 -0.17 2.01 -0.29 1.20 0.00 0.00 173.24 176.30 2qub h ILE 305 N 3.18 0.00 -0.00 6.45 2.10 -1.81 0.64 117.51 128.07 2qub h ILE 305 Ca -0.25 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.69 2qub h ILE 305 Cb 1.18 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 2qub h ILE 305 CO 0.17 0.00 -0.26 0.18 -1.08 0.00 0.00 178.15 177.16 2qub n LEU 306 N -2.76 0.27 -4.38 2.19 4.77 -1.26 -4.63 117.00 111.20 2qub n LEU 306 Ca -0.02 0.23 -0.45 0.00 -0.03 0.00 0.00 56.01 55.74 2qub n LEU 306 Cb 0.16 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 2qub n LEU 306 CO 0.15 0.07 0.53 0.21 -1.33 0.00 0.00 177.39 177.02 2qub s ASN 307 N -2.99 6.35 0.22 -1.43 3.84 0.22 -4.96 114.94 116.18 2qub s ASN 307 Ca 0.13 -1.72 -0.08 0.00 0.21 0.00 0.00 52.86 51.40 2qub s ASN 307 Cb 0.18 -2.31 0.28 0.00 -0.55 0.00 0.00 41.25 38.85 2qub s ASN 307 CO 0.62 -1.04 1.81 0.40 -2.79 0.00 0.00 177.10 176.10 2qub h ILE 308 N 5.74 0.96 -0.85 -5.21 1.08 -1.82 -1.13 117.51 116.27 2qub h ILE 308 Ca -0.15 -0.25 0.25 0.00 -0.39 0.00 0.00 64.86 64.32 2qub h ILE 308 Cb 1.07 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 34.95 2qub h ILE 308 CO 1.05 0.13 0.63 -0.65 -0.69 0.00 0.00 178.15 178.63 2qub h PRO 309 N 0.73 0.00 0.00 2.37 0.11 -1.94 -0.25 132.00 133.02 2qub h PRO 309 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 2qub h PRO 309 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2qub h PRO 309 CO -0.20 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.38 2qub h THR 310 N 0.00 0.00 0.00 -1.15 1.35 -1.51 -2.64 112.91 108.97 2qub h THR 310 Ca 0.41 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 2qub h THR 310 Cb 1.67 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 2qub h THR 310 CO -0.00 0.00 0.00 0.79 -0.25 0.00 0.00 175.52 176.06 2qub n TRP 311 N -2.60 0.07 -0.30 4.73 7.02 -0.10 -2.90 117.44 123.36 2qub n TRP 311 Ca 0.01 0.03 0.11 0.00 -1.02 0.00 0.00 57.50 56.63 2qub n TRP 311 Cb 0.23 -0.55 0.28 0.00 -2.42 0.00 0.00 31.31 28.85 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 0.28 0.00 -0.99 5.85 -1.65 -1.16 115.31 117.64 2qub h LEU 312 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2qub h LEU 312 Cb 0.19 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2qub h LEU 312 CO 0.00 0.00 0.00 -1.20 -0.34 0.00 0.00 178.44 176.90 2qub n SER 313 N -5.06 0.00 0.02 1.25 7.64 -1.14 -2.83 113.62 113.50 2qub n SER 313 Ca 0.20 0.25 0.11 0.00 1.01 0.00 0.00 58.87 60.44 2qub n SER 313 Cb 0.61 -0.38 0.01 0.00 -1.01 0.00 0.00 64.21 63.44 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 -1.38 0.24 -1.93 1.43 -0.00 -0.44 -4.67 115.22 108.47 2qub n HIS 314 Ca 0.06 0.07 -0.41 0.00 -0.00 0.00 0.00 57.72 57.44 2qub n HIS 314 Cb 0.15 -0.41 -0.01 0.00 -0.00 0.00 0.00 29.99 29.71 2qub n HIS 314 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2qub s LEU 315 N -3.90 4.37 0.45 0.27 1.43 -1.13 -4.88 118.68 115.29 2qub s LEU 315 Ca 0.03 2.88 0.15 0.00 -1.03 0.00 0.00 54.13 56.16 2qub s LEU 315 Cb 0.14 -3.65 1.09 0.00 0.03 0.00 0.00 46.19 43.80 2qub s LEU 315 CO 0.81 -0.74 2.01 -0.65 0.23 0.00 0.00 176.35 178.01 2qub h PRO 316 N 3.48 0.31 -0.02 1.29 0.11 -1.94 -2.00 132.00 133.23 2qub h PRO 316 Ca -0.49 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 2qub h PRO 316 Cb 1.23 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2qub h PRO 316 CO 0.67 0.21 -0.40 0.27 -0.21 0.00 0.00 178.00 178.54 2qub h PHE 317 N 0.32 0.06 -0.46 0.65 -5.15 -1.92 -0.80 116.94 109.64 2qub h PHE 317 Ca 0.23 -0.01 -0.08 0.00 -0.20 0.00 0.00 57.97 57.90 2qub h PHE 317 Cb 0.47 -0.01 -0.02 0.00 0.22 0.00 0.00 35.95 36.61 2qub h PHE 317 CO -0.00 0.45 -0.05 0.74 -2.00 0.00 0.00 178.31 177.44 2qub h PHE 318 N 0.04 0.86 0.24 6.09 0.04 -1.73 -1.62 116.94 120.87 2qub h PHE 318 Ca 0.00 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 2qub h PHE 318 Cb 0.73 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.65 2qub h PHE 318 CO 0.00 0.82 -0.12 1.88 -0.60 0.00 0.00 178.31 180.30 2qub h TYR 319 N 0.73 -0.30 0.42 -0.55 -1.99 -1.35 -1.06 116.97 112.88 2qub h TYR 319 Ca 0.13 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 2qub h TYR 319 Cb 0.52 0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.33 2qub h TYR 319 CO 0.03 -0.04 -0.36 0.37 -0.00 0.00 0.00 178.16 178.16 2qub h GLN 320 N -0.54 -0.75 -0.06 4.88 -0.00 -1.15 -1.71 115.11 115.78 2qub h GLN 320 Ca -0.03 0.05 -0.15 0.00 -0.00 0.00 0.00 58.65 58.52 2qub h GLN 320 Cb 0.40 0.17 0.01 0.00 0.00 0.00 0.00 27.48 28.06 2qub h GLN 320 CO 0.05 -0.50 -0.55 0.22 0.00 0.00 0.00 178.83 178.05 2qub h ASP 321 N -0.78 0.60 -0.02 -0.69 3.58 -1.39 -2.89 116.42 114.82 2qub h ASP 321 Ca -0.04 -0.68 -0.00 0.00 0.42 0.00 0.00 57.03 56.72 2qub h ASP 321 Cb 0.68 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 2qub h ASP 321 CO -0.02 1.19 -0.00 1.23 -2.88 0.00 0.00 179.24 178.76 2qub h GLY 322 N 0.05 0.04 2.00 -0.78 0.00 -1.27 -2.94 103.07 100.18 2qub h GLY 322 Ca -0.05 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 2qub h GLY 322 CO 0.11 0.03 -0.35 1.41 0.00 0.00 0.00 176.54 177.74 2qub h LEU 323 N -0.27 0.00 -0.95 3.11 3.38 -1.42 -2.18 115.31 116.98 2qub h LEU 323 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2qub h LEU 323 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2qub h LEU 323 CO 0.00 0.35 -0.38 0.24 0.09 0.00 0.00 178.44 178.75 2qub h MET 324 N 0.00 0.29 -0.35 1.13 2.86 -1.55 -0.70 114.93 116.61 2qub h MET 324 Ca -0.00 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 2qub h MET 324 Cb 0.88 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 2qub h MET 324 CO 0.05 0.63 -0.17 0.00 1.06 0.00 0.00 176.91 178.47 2qub h ARG 325 N 0.24 0.64 0.24 1.72 3.08 -1.22 -0.60 114.38 118.48 2qub h ARG 325 Ca 0.03 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 2qub h ARG 325 Cb 0.78 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2qub h ARG 325 CO 0.06 0.78 -0.11 0.28 -1.07 0.00 0.00 179.97 179.91 2qub h VAL 326 N 0.57 0.80 -0.89 2.04 2.07 -1.23 -2.08 116.25 117.54 2qub h VAL 326 Ca 0.09 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.51 2qub h VAL 326 Cb 0.62 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 2qub h VAL 326 CO 0.04 0.05 0.52 0.25 0.02 0.00 0.00 177.57 178.46 2qub h LEU 327 N -0.43 0.75 -1.22 2.57 5.85 -0.90 -2.25 115.31 119.69 2qub h LEU 327 Ca -0.03 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2qub h LEU 327 Cb 0.32 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2qub h LEU 327 CO 0.05 0.41 0.00 0.59 -0.34 0.00 0.00 178.44 179.15 2qub n ASN 328 N -4.71 1.81 -4.77 1.25 5.03 -0.25 -4.85 115.26 108.77 2qub n ASN 328 Ca 0.16 -1.83 -0.40 0.00 0.87 0.00 0.00 54.58 53.38 2qub n ASN 328 Cb 0.32 -0.16 -0.01 0.00 -1.02 0.00 0.00 39.78 38.91 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 -1.33 6.38 0.61 6.41 0.15 -0.79 -4.89 113.70 120.24 2qub s SER 329 Ca 0.29 2.76 0.32 0.00 0.70 0.00 0.00 55.95 60.02 2qub s SER 329 Cb 0.16 -2.65 1.86 0.00 -1.71 0.00 0.00 66.02 63.68 2qub s SER 329 CO 0.22 -0.81 2.18 -0.33 1.20 0.00 0.00 173.24 175.70 2qub h GLU 330 N 2.86 0.00 -0.27 5.44 5.08 -1.90 -1.94 114.58 123.85 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 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2qub h GLU 330 CO 0.63 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.83 2qub n PHE 331 N -3.57 0.34 -0.33 4.33 3.72 -1.26 -4.62 117.46 116.06 2qub n PHE 331 Ca -0.01 -0.17 0.10 0.00 -0.05 0.00 0.00 57.45 57.32 2qub n PHE 331 Cb 0.21 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 39.02 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 4.01 0.98 0.00 1.38 3.20 -1.62 -1.32 116.97 123.60 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 0.88 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2qub h TYR 332 CO 0.17 0.26 0.00 -1.13 -1.64 0.00 0.00 178.16 175.82 2qub n SER 333 N -4.77 0.13 -0.22 -2.11 3.41 -1.26 -1.40 113.62 107.40 2qub n SER 333 Ca 0.20 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 2qub n SER 333 Cb 0.48 -0.56 0.29 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.64 1.04 -4.91 1.04 4.77 -0.50 -4.65 117.00 112.15 2qub n LEU 334 Ca 0.03 -0.28 -0.27 0.00 -0.03 0.00 0.00 56.01 55.45 2qub n LEU 334 Cb 0.15 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2qub n LEU 334 CO 0.12 0.20 0.33 0.42 -1.33 0.00 0.00 177.39 177.14 2qub s THR 335 N -2.62 4.96 0.25 -5.08 -4.23 -0.49 -4.97 115.64 103.46 2qub s THR 335 Ca 0.20 0.09 0.04 0.00 -1.18 0.00 0.00 61.69 60.84 2qub s THR 335 Cb 0.19 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 2qub s THR 335 CO 0.58 -0.62 0.01 -1.81 -0.54 0.00 0.00 174.62 172.24 2qub s ASP 336 N -3.73 1.98 0.30 3.99 1.01 -1.26 -1.53 116.67 117.44 2qub s ASP 336 Ca 0.46 -1.25 0.05 0.00 0.71 0.00 0.00 52.55 52.51 2qub s ASP 336 Cb -0.10 -0.02 0.79 0.00 1.01 0.00 0.00 42.92 44.61 2qub s ASP 336 CO 0.37 -0.53 1.65 0.50 0.21 0.00 0.00 175.17 177.37 2qub h LYS 337 N 2.38 0.21 -0.38 8.23 3.64 -1.73 -1.23 116.57 127.69 2qub h LYS 337 Ca -0.39 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 2qub h LYS 337 Cb 1.23 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 2qub h LYS 337 CO 0.65 0.14 0.02 -0.25 -2.27 0.00 0.00 179.45 177.75 2qub n ASP 338 N -5.20 4.36 -4.72 4.20 8.00 -1.26 -4.02 116.55 117.91 2qub n ASP 338 Ca 0.24 -3.06 -0.41 0.00 0.71 0.00 0.00 54.79 52.27 2qub n ASP 338 Cb 0.75 -0.60 0.01 0.00 -0.02 0.00 0.00 41.12 41.25 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 -0.24 2.92 -4.64 -2.24 7.64 -0.47 -4.67 113.62 111.93 2qub n SER 339 Ca 0.25 1.16 -0.43 0.00 1.01 0.00 0.00 58.87 60.86 2qub n SER 339 Cb 1.02 -1.53 -0.02 0.00 -1.01 0.00 0.00 64.21 62.67 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 -1.15 4.23 -0.10 0.44 2.01 -1.25 -4.47 115.64 115.34 2qub s THR 340 Ca 0.58 1.42 0.00 0.00 0.31 0.00 0.00 61.69 64.01 2qub s THR 340 Cb -0.51 -4.16 0.02 0.00 0.01 0.00 0.00 72.50 67.86 2qub s THR 340 CO 0.60 -0.39 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.41 2qub s ILE 341 N 4.06 1.08 -0.31 1.82 1.01 -0.69 -1.13 121.20 127.04 2qub s ILE 341 Ca 0.54 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.74 2qub s ILE 341 Cb -0.17 -1.06 -0.00 0.00 0.01 0.00 0.00 42.46 41.24 2qub s ILE 341 CO 0.20 0.37 0.13 -0.63 0.00 0.00 0.00 174.94 175.00 2qub s ILE 342 N 1.36 4.38 -0.30 2.92 -1.09 0.56 0.04 121.20 129.08 2qub s ILE 342 Ca -0.01 -0.52 -0.10 0.00 -2.23 0.00 0.00 60.65 57.78 2qub s ILE 342 Cb -0.14 -3.25 -0.02 0.00 -1.58 0.00 0.00 42.46 37.47 2qub s ILE 342 CO -0.05 0.06 0.16 -0.69 -1.23 0.00 0.00 174.94 173.20 2qub s VAL 343 N 1.57 4.80 -0.08 2.92 1.01 -0.24 -1.02 120.40 129.37 2qub s VAL 343 Ca 0.04 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 2qub s VAL 343 Cb -0.17 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 2qub s VAL 343 CO 0.05 0.15 1.67 -0.55 0.00 0.00 0.00 175.10 176.41 2qub s SER 344 N 1.66 6.60 -0.27 3.32 0.15 -0.50 -0.83 113.70 123.83 2qub s SER 344 Ca 0.06 2.15 0.20 0.00 0.70 0.00 0.00 55.95 59.06 2qub s SER 344 Cb -0.16 -2.53 0.50 0.00 -1.71 0.00 0.00 66.02 62.11 2qub s SER 344 CO 0.07 -1.00 1.11 0.59 1.20 0.00 0.00 173.24 175.22 2qub n ASN 345 N 7.43 2.04 -4.85 5.45 3.02 0.28 -4.71 115.26 123.92 2qub n ASN 345 Ca 0.18 -2.31 -0.32 0.00 -0.03 0.00 0.00 54.58 52.10 2qub n ASN 345 Cb 0.43 -0.46 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 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 -3.74 3.52 0.90 3.41 1.43 -1.20 -4.31 118.68 118.69 2qub s LEU 346 Ca 0.30 1.53 -0.13 0.00 -1.03 0.00 0.00 54.13 54.80 2qub s LEU 346 Cb 0.34 -4.50 0.13 0.00 0.03 0.00 0.00 46.19 42.20 2qub s LEU 346 CO -0.03 -0.67 1.18 -0.94 0.23 0.00 0.00 176.35 176.13 2qub s SER 347 N -3.37 3.67 0.58 2.29 1.04 -1.26 -4.84 113.70 111.82 2qub s SER 347 Ca 0.58 0.76 0.36 0.00 0.48 0.00 0.00 55.95 58.13 2qub s SER 347 Cb -0.10 -1.20 1.73 0.00 0.10 0.00 0.00 66.02 66.55 2qub s SER 347 CO 0.37 -2.43 2.13 0.78 0.98 0.00 0.00 173.24 175.07 2qub h ASN 348 N -1.42 0.00 0.53 7.02 2.35 -1.11 -1.63 115.58 121.32 2qub h ASN 348 Ca -0.48 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.09 2qub h ASN 348 Cb 1.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 2qub h ASN 348 CO 0.58 0.03 -0.80 0.58 -1.65 0.00 0.00 177.43 176.17 2qub h VAL 349 N 0.00 1.47 0.00 2.81 2.07 -1.83 -3.37 116.25 117.40 2qub h VAL 349 Ca -0.00 -2.45 -0.03 0.00 0.82 0.00 0.00 66.70 65.04 2qub h VAL 349 Cb 0.32 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 2qub h VAL 349 CO 0.00 0.72 -1.64 0.35 0.02 0.00 0.00 177.57 177.01 2qub n THR 350 N -3.71 0.10 -0.25 2.57 -2.24 -1.12 -4.68 114.28 104.95 2qub n THR 350 Ca -0.03 -0.33 0.09 0.00 -2.27 0.00 0.00 64.05 61.51 2qub n THR 350 Cb 0.75 0.09 0.35 0.00 -2.10 0.00 0.00 70.33 69.42 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 0.73 -0.02 -0.78 2.43 -1.46 -1.12 114.38 114.17 2qub h ARG 351 Ca -0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2qub h ARG 351 Cb 0.75 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2qub h ARG 351 CO 0.00 0.49 0.00 0.41 -1.51 0.00 0.00 179.97 179.36 2qub n GLY 352 N -1.43 -0.48 0.00 2.80 0.00 -1.26 -3.92 105.19 100.90 2qub n GLY 352 Ca 0.15 -0.31 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 -0.39 0.13 -4.08 1.61 0.23 -0.61 -5.04 115.26 107.12 2qub n ASN 353 Ca 0.20 -1.04 -0.29 0.00 -0.53 0.00 0.00 54.58 52.93 2qub n ASN 353 Cb 0.22 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 37.76 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 -0.04 1.56 -0.04 5.53 2.01 -0.52 -5.11 115.64 119.03 2qub s THR 354 Ca 0.00 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 2qub s THR 354 Cb 0.00 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 2qub s THR 354 CO 0.00 0.45 1.01 0.26 -0.69 0.00 0.00 174.62 175.65 2qub s TRP 355 N 0.87 3.57 -0.33 4.92 0.52 -1.26 -4.51 118.94 122.71 2qub s TRP 355 Ca -0.09 1.62 -0.29 0.00 0.02 0.00 0.00 56.10 57.36 2qub s TRP 355 Cb -0.15 -3.18 0.01 0.00 -1.15 0.00 0.00 33.47 29.01 2qub s TRP 355 CO 0.00 -0.21 1.14 0.08 0.02 0.00 0.00 176.95 177.98 2qub s VAL 356 N 1.48 4.38 0.14 4.03 1.01 0.20 -4.91 120.40 126.74 2qub s VAL 356 Ca 0.51 1.57 -0.14 0.00 0.00 0.00 0.00 61.98 63.93 2qub s VAL 356 Cb -0.20 -4.37 0.02 0.00 0.00 0.00 0.00 36.38 31.83 2qub s VAL 356 CO 0.24 -0.53 0.37 -1.83 0.00 0.00 0.00 175.10 173.34 2qub s GLU 357 N 3.86 1.11 -0.99 2.72 -1.05 -1.26 -0.93 118.70 122.15 2qub s GLU 357 Ca 0.48 -0.87 -0.23 0.00 -0.15 0.00 0.00 54.97 54.20 2qub s GLU 357 Cb -0.13 0.44 0.05 0.00 -0.44 0.00 0.00 34.13 34.05 2qub s GLU 357 CO 0.19 -0.42 1.42 0.34 0.95 0.00 0.00 175.26 177.73 2qub s ASP 358 N -2.86 6.47 0.50 0.83 2.15 -1.26 -4.78 116.67 117.72 2qub s ASP 358 Ca 0.07 -1.37 0.30 0.00 0.43 0.00 0.00 52.55 51.98 2qub s ASP 358 Cb 0.02 -2.56 1.03 0.00 -0.30 0.00 0.00 42.92 41.11 2qub s ASP 358 CO -0.08 -1.53 1.86 -0.07 -0.17 0.00 0.00 175.17 175.18 2qub h LEU 359 N 12.73 0.00 2.49 -1.34 3.38 -1.98 -3.47 115.31 127.12 2qub h LEU 359 Ca 0.15 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.77 2qub h LEU 359 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2qub h LEU 359 CO 1.40 0.00 -0.46 -3.20 0.09 0.00 0.00 178.44 176.28 2qub n ASN 360 N -3.05 -5.01 -4.75 -0.43 4.05 -1.26 -4.93 115.26 99.88 2qub n ASN 360 Ca 0.02 0.02 -0.41 0.00 0.45 0.00 0.00 54.58 54.66 2qub n ASN 360 Cb 0.38 -4.18 -0.03 0.00 1.23 0.00 0.00 39.78 37.17 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 -5.16 4.45 -1.35 1.20 3.52 -1.26 -3.98 118.95 116.37 2qub s ARG 361 Ca 0.05 1.99 -0.00 0.00 -0.13 0.00 0.00 55.73 57.64 2qub s ARG 361 Cb -0.03 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 2qub s ARG 361 CO 0.07 -0.13 0.60 0.09 -0.81 0.00 0.00 175.30 175.12 2qub n ASN 362 N 2.11 -0.89 -3.47 -2.12 5.03 -1.26 -4.96 115.26 109.70 2qub n ASN 362 Ca 0.04 -0.89 -0.11 0.00 0.87 0.00 0.00 54.58 54.49 2qub n ASN 362 Cb 0.43 -3.69 -0.03 0.00 -1.02 0.00 0.00 39.78 35.47 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 -3.77 -1.72 0.67 5.41 0.00 -1.26 -4.87 121.76 116.22 2qub s ALA 363 Ca 0.01 0.85 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 2qub s ALA 363 Cb -0.01 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.62 2qub s ALA 363 CO 0.84 -0.66 1.27 -1.21 0.00 0.00 0.00 175.76 176.00 2qub s GLU 364 N -3.03 2.43 0.18 0.00 2.02 -1.26 -4.90 118.70 114.14 2qub s GLU 364 Ca 0.01 1.99 -0.33 0.00 0.02 0.00 0.00 54.97 56.66 2qub s GLU 364 Cb -0.01 -1.84 -0.14 0.00 0.10 0.00 0.00 34.13 32.24 2qub s GLU 364 CO -0.08 -1.68 1.52 2.41 0.02 0.00 0.00 175.26 177.46 2qub n THR 365 N -2.12 0.25 -2.59 3.63 -1.04 -1.26 -4.96 114.28 106.19 2qub n THR 365 Ca 0.15 -0.06 -0.33 0.00 -2.04 0.00 0.00 64.05 61.77 2qub n THR 365 Cb 0.49 -1.48 -0.05 0.00 -1.82 0.00 0.00 70.33 67.47 2qub n THR 365 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2qub s HIS 366 N 0.63 3.26 0.25 -1.42 0.09 -1.26 -5.09 115.29 111.75 2qub s HIS 366 Ca 0.76 1.56 0.01 0.00 -0.00 0.00 0.00 55.06 57.39 2qub s HIS 366 Cb -0.69 -2.89 -0.03 0.00 -0.00 0.00 0.00 32.58 28.97 2qub s HIS 366 CO 0.41 -0.41 0.20 -1.54 -0.00 0.00 0.00 174.74 173.41 2qub s SER 367 N -2.43 0.64 0.04 1.40 1.04 -1.26 -5.13 113.70 108.00 2qub s SER 367 Ca 0.62 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2qub s SER 367 Cb -0.11 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2qub s SER 367 CO 0.21 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2qub n GLY 368 N -0.39 -2.16 3.75 7.32 0.00 -1.26 -4.61 105.19 107.84 2qub n GLY 368 Ca 0.04 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.68 2.22 -0.10 1.61 0.04 -1.26 -4.81 135.00 132.01 2qub s PRO 369 Ca 0.00 1.30 0.02 0.00 0.04 0.00 0.00 61.00 62.37 2qub s PRO 369 Cb 0.00 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 2qub s PRO 369 CO 0.00 -1.69 -0.18 0.99 0.04 0.00 0.00 177.00 176.16 2qub s THR 370 N -2.69 2.66 -0.19 1.26 2.01 -0.50 -3.97 115.64 114.23 2qub s THR 370 Ca 0.64 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.77 2qub s THR 370 Cb -0.19 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 2qub s THR 370 CO 0.52 0.55 0.01 -0.36 -0.69 0.00 0.00 174.62 174.65 2qub s PHE 371 N 0.15 3.09 -0.18 4.92 0.08 -0.29 -0.56 117.98 125.19 2qub s PHE 371 Ca -0.10 -0.29 -0.00 0.00 0.12 0.00 0.00 56.93 56.67 2qub s PHE 371 Cb -0.16 -2.07 0.01 0.00 -0.57 0.00 0.00 43.02 40.23 2qub s PHE 371 CO 0.06 -0.11 -0.16 0.42 -0.10 0.00 0.00 175.22 175.32 2qub s ILE 372 N 0.77 2.43 -0.31 0.64 1.01 -0.28 -0.32 121.20 125.13 2qub s ILE 372 Ca 0.01 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 2qub s ILE 372 Cb -0.14 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.30 2qub s ILE 372 CO 0.02 0.51 0.12 -0.63 0.00 0.00 0.00 174.94 174.96 2qub s ILE 373 N 1.24 4.21 0.05 2.92 -1.09 -0.19 -0.86 121.20 127.48 2qub s ILE 373 Ca 0.03 -0.66 -0.01 0.00 -2.23 0.00 0.00 60.65 57.78 2qub s ILE 373 Cb -0.14 -3.20 0.01 0.00 -1.58 0.00 0.00 42.46 37.56 2qub s ILE 373 CO -0.08 0.02 0.06 0.61 -1.23 0.00 0.00 174.94 174.32 2qub n GLY 374 N 4.91 -1.58 3.77 6.18 0.00 0.13 -1.41 105.19 117.20 2qub n GLY 374 Ca -0.14 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.36 4.34 0.00 1.61 1.04 -1.26 -4.68 113.70 113.39 2qub s SER 375 Ca 0.03 -1.30 0.20 0.00 0.48 0.00 0.00 55.95 55.36 2qub s SER 375 Cb -0.00 -0.00 1.19 0.00 0.10 0.00 0.00 66.02 67.31 2qub s SER 375 CO 0.02 -0.74 1.69 0.47 0.98 0.00 0.00 173.24 175.66 2qub n ASP 376 N -1.34 0.00 -2.36 7.02 8.00 -1.26 -4.07 116.55 122.54 2qub n ASP 376 Ca -0.06 -1.15 -0.03 0.00 0.71 0.00 0.00 54.79 54.26 2qub n ASP 376 Cb 0.65 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.77 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 0.66 1.20 3.58 0.44 0.00 -1.25 -3.47 105.19 106.35 2qub n GLY 377 Ca 0.15 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.51 6.57 0.13 1.61 0.01 -1.26 -4.31 114.94 116.18 2qub s ASN 378 Ca 0.08 0.31 0.04 0.00 -0.71 0.00 0.00 52.86 52.59 2qub s ASN 378 Cb -0.01 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 2qub s ASN 378 CO 0.06 -1.17 0.10 -1.81 -1.51 0.00 0.00 177.10 172.77 2qub s ASP 379 N 2.38 5.44 -0.26 -1.22 1.01 -1.25 -4.64 116.67 118.14 2qub s ASP 379 Ca 0.43 -0.11 -0.03 0.00 0.71 0.00 0.00 52.55 53.56 2qub s ASP 379 Cb -0.08 -1.41 0.02 0.00 1.01 0.00 0.00 42.92 42.46 2qub s ASP 379 CO 0.29 0.11 -0.03 -0.76 0.21 0.00 0.00 175.17 175.00 2qub s LEU 380 N -2.79 3.38 -0.09 1.23 1.43 -1.26 -1.29 118.68 119.29 2qub s LEU 380 Ca 0.30 -0.85 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 2qub s LEU 380 Cb -0.11 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.40 2qub s LEU 380 CO 0.22 -0.15 -0.17 -0.63 0.23 0.00 0.00 176.35 175.85 2qub s ILE 381 N 1.36 1.54 -0.14 -0.59 1.01 -0.40 -0.63 121.20 123.36 2qub s ILE 381 Ca 0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 2qub s ILE 381 Cb -0.17 -1.37 0.03 0.00 0.01 0.00 0.00 42.46 40.96 2qub s ILE 381 CO -0.03 0.45 -0.09 -0.75 0.00 0.00 0.00 174.94 174.52 2qub s LYS 382 N 0.60 1.76 0.42 2.79 2.20 -0.11 -0.90 119.74 126.51 2qub s LYS 382 Ca -0.15 -0.42 -0.08 0.00 -0.36 0.00 0.00 55.97 54.96 2qub s LYS 382 Cb -0.16 -1.86 -0.05 0.00 -1.51 0.00 0.00 37.83 34.25 2qub s LYS 382 CO 0.05 -0.29 0.75 0.20 -0.36 0.00 0.00 175.35 175.69 2qub s GLY 383 N 1.61 1.76 0.00 5.54 0.00 0.10 -4.34 107.32 112.00 2qub s GLY 383 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.40 2qub s GLY 383 CO -0.09 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.43 2qub n GLY 384 N -1.62 0.26 0.11 0.20 0.00 -1.26 -1.49 105.19 101.39 2qub n GLY 384 Ca 0.01 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.30 2qub n GLY 384 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qub n LYS 385 N -0.70 0.21 0.00 1.61 5.02 -1.26 -2.87 118.16 120.17 2qub n LYS 385 Ca 0.00 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2qub n LYS 385 Cb 0.00 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 2qub n LYS 385 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qub n GLY 386 N 0.64 0.96 3.71 0.72 0.00 -1.26 -2.54 105.19 107.42 2qub n GLY 386 Ca 0.04 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 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 6.96 0.07 1.61 0.01 -1.26 -4.17 114.94 117.16 2qub s ASN 387 Ca 0.00 1.16 0.07 0.00 -0.71 0.00 0.00 52.86 53.38 2qub s ASN 387 Cb 0.00 -2.41 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 2qub s ASN 387 CO 0.00 -0.17 -0.18 -1.81 -1.51 0.00 0.00 177.10 173.43 2qub s ASP 388 N 0.89 2.18 -0.27 -1.22 1.01 -1.17 -1.42 116.67 116.67 2qub s ASP 388 Ca 0.37 -0.58 0.02 0.00 0.71 0.00 0.00 52.55 53.06 2qub s ASP 388 Cb -0.17 -0.13 0.07 0.00 1.01 0.00 0.00 42.92 43.69 2qub s ASP 388 CO 0.17 0.06 -0.03 -0.31 0.21 0.00 0.00 175.17 175.26 2qub s TYR 389 N -1.02 2.77 -0.19 4.23 2.02 0.27 -1.25 117.35 124.18 2qub s TYR 389 Ca 0.04 -2.11 -0.04 0.00 -0.37 0.00 0.00 57.07 54.60 2qub s TYR 389 Cb -0.09 -1.91 -0.02 0.00 -0.40 0.00 0.00 41.96 39.54 2qub s TYR 389 CO 0.03 -0.84 -0.05 -0.51 -1.57 0.00 0.00 175.55 172.61 2qub s LEU 390 N 1.26 3.01 -0.23 -1.29 1.43 -0.13 -1.13 118.68 121.60 2qub s LEU 390 Ca -0.02 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2qub s LEU 390 Cb -0.19 -1.75 0.05 0.00 0.03 0.00 0.00 46.19 44.33 2qub s LEU 390 CO -0.08 0.06 -0.13 -0.70 0.23 0.00 0.00 176.35 175.73 2qub s GLU 391 N 1.00 2.41 0.09 1.70 2.12 -0.04 -0.70 118.70 125.28 2qub s GLU 391 Ca 0.00 -1.13 0.00 0.00 0.36 0.00 0.00 54.97 54.21 2qub s GLU 391 Cb -0.15 -2.73 -0.26 0.00 0.26 0.00 0.00 34.13 31.26 2qub s GLU 391 CO 0.01 -0.45 1.17 0.78 -0.54 0.00 0.00 175.26 176.22 2qub h GLY 392 N 7.85 0.19 0.00 -1.50 0.00 -1.24 0.38 103.07 108.76 2qub h GLY 392 Ca -0.28 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.57 2qub h GLY 392 CO 0.51 0.42 0.00 0.54 0.00 0.00 0.00 176.54 178.01 2qub n ARG 393 N -3.45 0.00 -0.91 4.80 1.74 -1.25 -3.98 116.66 113.60 2qub n ARG 393 Ca -0.06 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.73 2qub n ARG 393 Cb 0.99 0.00 0.18 0.00 -1.02 0.00 0.00 32.46 32.62 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 2.45 0.00 0.55 1.01 -1.26 -3.62 116.67 111.80 2qub s ASP 394 Ca 0.00 1.55 0.00 0.00 0.71 0.00 0.00 52.55 54.81 2qub s ASP 394 Cb 0.00 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.71 2qub s ASP 394 CO 0.00 -3.29 0.00 0.61 0.21 0.00 0.00 175.17 172.70 2qub n GLY 395 N -0.31 -0.22 3.51 0.21 0.00 -1.23 -3.89 105.19 103.27 2qub n GLY 395 Ca 0.06 -1.71 -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 -2.20 6.31 0.04 1.61 1.01 -1.26 -4.29 116.67 117.89 2qub s ASP 396 Ca 0.00 -0.44 0.02 0.00 0.71 0.00 0.00 52.55 52.85 2qub s ASP 396 Cb 0.00 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 2qub s ASP 396 CO 0.00 -1.27 0.04 -1.81 0.21 0.00 0.00 175.17 172.34 2qub s ASP 397 N 2.97 5.32 -0.09 0.27 1.01 -1.23 -3.75 116.67 121.17 2qub s ASP 397 Ca 0.29 -0.02 0.04 0.00 0.71 0.00 0.00 52.55 53.58 2qub s ASP 397 Cb -0.13 -1.40 -0.01 0.00 1.01 0.00 0.00 42.92 42.39 2qub s ASP 397 CO 0.18 0.23 -0.22 -0.63 0.21 0.00 0.00 175.17 174.94 2qub s ILE 398 N -1.24 2.30 -0.00 0.77 1.01 -0.41 -0.95 121.20 122.68 2qub s ILE 398 Ca 0.24 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.99 2qub s ILE 398 Cb -0.12 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 2qub s ILE 398 CO 0.16 0.56 -0.15 -0.36 0.00 0.00 0.00 174.94 175.15 2qub s PHE 399 N 0.14 2.67 0.10 3.97 0.08 -0.01 -1.28 117.98 123.64 2qub s PHE 399 Ca -0.11 -0.18 0.05 0.00 0.12 0.00 0.00 56.93 56.80 2qub s PHE 399 Cb -0.16 -1.55 -0.03 0.00 -0.57 0.00 0.00 43.02 40.70 2qub s PHE 399 CO 0.06 0.24 -0.13 1.03 -0.10 0.00 0.00 175.22 176.32 2qub s ARG 400 N -1.14 0.93 -0.18 0.44 0.52 -0.07 -0.39 118.95 119.06 2qub s ARG 400 Ca 0.14 -1.15 -0.13 0.00 -0.52 0.00 0.00 55.73 54.08 2qub s ARG 400 Cb -0.11 -0.79 0.05 0.00 0.52 0.00 0.00 34.95 34.62 2qub s ARG 400 CO 0.04 0.15 0.45 0.34 0.02 0.00 0.00 175.30 176.30 2qub s ASP 401 N -2.27 -0.53 0.00 0.23 2.15 -1.26 -0.72 116.67 114.28 2qub s ASP 401 Ca 0.05 0.95 0.27 0.00 0.43 0.00 0.00 52.55 54.25 2qub s ASP 401 Cb -0.06 0.88 0.84 0.00 -0.30 0.00 0.00 42.92 44.28 2qub s ASP 401 CO 0.02 -0.18 1.63 0.00 -0.17 0.00 0.00 175.17 176.47 2qub n ALA 402 N 3.63 3.07 0.00 3.66 0.00 -0.55 -4.95 120.51 125.36 2qub n ALA 402 Ca -0.19 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2qub n ALA 402 Cb 0.56 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.44 -1.87 6.27 0.00 0.00 -1.14 -4.58 105.19 105.32 2qub n GLY 403 Ca 0.08 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.47 -1.23 3.23 -0.02 0.00 -1.05 -4.26 105.19 101.39 2qub n GLY 404 Ca 0.00 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 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 2.77 0.03 1.61 2.02 -1.26 -2.96 117.35 119.57 2qub s TYR 405 Ca 0.00 -1.19 0.01 0.00 -0.37 0.00 0.00 57.07 55.52 2qub s TYR 405 Cb 0.00 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 2qub s TYR 405 CO 0.00 -0.56 -0.05 -0.80 -1.57 0.00 0.00 175.55 172.57 2qub s ASN 406 N 0.95 0.49 -0.06 2.29 0.01 -0.60 -3.05 114.94 114.97 2qub s ASN 406 Ca -0.03 -0.55 0.06 0.00 -0.71 0.00 0.00 52.86 51.63 2qub s ASN 406 Cb -0.15 0.08 -0.01 0.00 0.41 0.00 0.00 41.25 41.58 2qub s ASN 406 CO -0.03 -0.29 -0.25 -0.76 -1.51 0.00 0.00 177.10 174.27 2qub s LEU 407 N -1.61 2.07 -0.08 0.60 1.43 -0.38 -1.49 118.68 119.21 2qub s LEU 407 Ca -0.12 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 2qub s LEU 407 Cb -0.09 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.78 2qub s LEU 407 CO -0.01 0.25 -0.14 -0.63 0.23 0.00 0.00 176.35 176.05 2qub s ILE 408 N -0.19 1.28 -0.38 -0.59 1.01 0.40 -0.96 121.20 121.78 2qub s ILE 408 Ca -0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 2qub s ILE 408 Cb -0.13 -1.17 0.10 0.00 0.01 0.00 0.00 42.46 41.27 2qub s ILE 408 CO 0.03 0.39 0.15 0.00 0.00 0.00 0.00 174.94 175.51 2qub s ALA 409 N 0.78 3.06 0.43 9.38 0.00 0.12 -0.90 121.76 134.64 2qub s ALA 409 Ca -0.12 -2.49 0.13 0.00 0.00 0.00 0.00 51.96 49.49 2qub s ALA 409 Cb -0.16 -2.26 0.95 0.00 0.00 0.00 0.00 23.12 21.66 2qub s ALA 409 CO 0.02 -1.73 1.97 0.78 0.00 0.00 0.00 175.76 176.80 2qub h GLY 410 N 7.92 0.04 0.00 0.00 0.00 -1.43 -0.27 103.07 109.34 2qub h GLY 410 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2qub h GLY 410 CO 0.64 0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.81 2qub n GLY 411 N -0.98 -0.91 3.63 4.60 0.00 -1.26 -3.97 105.19 106.30 2qub n GLY 411 Ca -0.02 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 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 0.44 0.00 1.61 1.02 -1.24 -4.86 119.74 116.71 2qub s LYS 412 Ca 0.00 0.99 0.00 0.00 0.02 0.00 0.00 55.97 56.98 2qub s LYS 412 Cb 0.00 -1.70 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 2qub s LYS 412 CO 0.00 -2.85 0.00 0.41 -0.92 0.00 0.00 175.35 171.99 2qub n GLY 413 N -0.18 -4.21 3.43 -3.33 0.00 -1.26 -3.88 105.19 95.77 2qub n GLY 413 Ca 0.07 -2.07 -0.44 0.00 0.00 0.00 0.00 46.02 43.58 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 3.00 0.05 1.61 2.46 -1.26 -4.94 115.29 115.21 2qub s HIS 414 Ca 0.00 -0.61 0.03 0.00 0.47 0.00 0.00 55.06 54.95 2qub s HIS 414 Cb 0.00 -3.73 -0.04 0.00 -0.13 0.00 0.00 32.58 28.68 2qub s HIS 414 CO 0.00 -1.15 0.04 -0.80 -2.47 0.00 0.00 174.74 170.35 2qub s ASN 415 N 2.98 5.30 -0.02 9.88 0.01 -1.26 -3.57 114.94 128.26 2qub s ASN 415 Ca 0.16 -0.03 0.06 0.00 -0.71 0.00 0.00 52.86 52.34 2qub s ASN 415 Cb -0.20 -1.39 -0.01 0.00 0.41 0.00 0.00 41.25 40.06 2qub s ASN 415 CO 0.11 0.22 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.09 2qub s ILE 416 N -1.25 1.58 -0.19 0.60 1.01 -0.12 -1.33 121.20 121.50 2qub s ILE 416 Ca 0.24 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 2qub s ILE 416 Cb -0.12 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 2qub s ILE 416 CO 0.16 0.45 -0.02 0.12 0.00 0.00 0.00 174.94 175.65 2qub s PHE 417 N -0.40 3.02 -0.30 3.97 5.36 -0.72 -0.83 117.98 128.07 2qub s PHE 417 Ca 0.06 -0.47 -0.07 0.00 -0.96 0.00 0.00 56.93 55.49 2qub s PHE 417 Cb -0.08 -2.04 0.01 0.00 -0.34 0.00 0.00 43.02 40.56 2qub s PHE 417 CO -0.00 -0.22 0.09 0.34 -1.46 0.00 0.00 175.22 173.97 2qub s ASP 418 N 0.86 5.19 0.29 6.13 2.15 0.48 -0.64 116.67 131.14 2qub s ASP 418 Ca 0.00 -0.75 0.24 0.00 0.43 0.00 0.00 52.55 52.47 2qub s ASP 418 Cb -0.14 -1.89 0.48 0.00 -0.30 0.00 0.00 42.92 41.07 2qub s ASP 418 CO 0.02 -0.21 1.58 0.71 -0.17 0.00 0.00 175.17 177.10 2qub h THR 419 N 5.88 0.00 -0.61 1.71 1.35 -1.42 -3.41 112.91 116.42 2qub h THR 419 Ca -0.30 -0.75 -0.26 0.00 -0.55 0.00 0.00 66.41 64.55 2qub h THR 419 Cb 1.12 1.65 -0.10 0.00 -1.73 0.00 0.00 68.15 69.09 2qub h THR 419 CO 0.61 0.00 -0.24 0.00 -0.25 0.00 0.00 175.52 175.64 2qub n GLN 420 N -2.64 -1.41 -3.83 4.72 6.02 -1.26 -4.94 117.38 114.05 2qub n GLN 420 Ca 0.04 0.93 -0.10 0.00 -0.01 0.00 0.00 57.00 57.86 2qub n GLN 420 Cb 0.48 -5.21 0.02 0.00 1.02 0.00 0.00 30.24 26.55 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 -1.60 1.04 -1.75 -1.09 10.64 -1.26 -4.66 117.38 118.70 2qub n GLN 421 Ca -0.13 -2.37 -0.42 0.00 -1.83 0.00 0.00 57.00 52.26 2qub n GLN 421 Cb 0.55 2.77 -0.02 0.00 -0.86 0.00 0.00 30.24 32.69 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 -2.24 3.77 0.48 2.61 0.00 -0.79 -1.38 121.76 124.21 2qub s ALA 422 Ca 0.19 1.60 0.14 0.00 0.00 0.00 0.00 51.96 53.88 2qub s ALA 422 Cb -0.04 -3.66 1.13 0.00 0.00 0.00 0.00 23.12 20.55 2qub s ALA 422 CO 0.14 -1.00 2.09 1.25 0.00 0.00 0.00 175.76 178.24 2qub h LEU 423 N 4.97 0.18 -2.07 0.00 5.85 -1.95 -1.06 115.31 121.24 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 0.81 0.13 0.00 0.07 -0.34 0.00 0.00 178.44 179.10 2qub h LYS 424 N 0.21 0.00 -0.01 1.25 2.10 -1.98 -1.94 116.57 116.21 2qub h LYS 424 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 2qub h LYS 424 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2qub h LYS 424 CO -0.02 0.00 -0.08 0.09 -2.00 0.00 0.00 179.45 177.44 2qub n ASN 425 N -2.64 0.61 -4.12 7.07 3.02 -0.40 -4.83 115.26 113.97 2qub n ASN 425 Ca -0.02 -0.83 -0.27 0.00 -0.03 0.00 0.00 54.58 53.44 2qub n ASN 425 Cb 0.07 -0.04 -0.16 0.00 -0.61 0.00 0.00 39.78 39.04 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 -2.31 1.45 -0.08 3.41 2.01 -0.73 -4.06 115.64 115.32 2qub s THR 426 Ca 0.33 -0.70 -0.26 0.00 0.31 0.00 0.00 61.69 61.38 2qub s THR 426 Cb 0.20 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 2qub s THR 426 CO 0.43 0.42 0.82 -1.61 -0.69 0.00 0.00 174.62 173.99 2qub s GLU 427 N 0.26 4.42 -0.11 4.92 2.02 -0.52 -4.92 118.70 124.77 2qub s GLU 427 Ca -0.09 1.07 0.02 0.00 0.02 0.00 0.00 54.97 55.98 2qub s GLU 427 Cb -0.14 -3.49 0.01 0.00 0.10 0.00 0.00 34.13 30.61 2qub s GLU 427 CO 0.04 -0.10 -0.17 0.08 0.02 0.00 0.00 175.26 175.13 2qub s VAL 428 N 1.30 1.62 0.28 2.63 1.01 -1.26 -1.20 120.40 124.78 2qub s VAL 428 Ca 0.42 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.70 2qub s VAL 428 Cb -0.18 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2qub s VAL 428 CO 0.19 0.47 0.17 0.00 0.00 0.00 0.00 175.10 175.92 2qub s ALA 429 N 0.91 1.71 -0.21 5.51 0.00 -0.43 -4.58 121.76 124.65 2qub s ALA 429 Ca -0.08 -1.80 -0.13 0.00 0.00 0.00 0.00 51.96 49.95 2qub s ALA 429 Cb -0.15 1.26 0.07 0.00 0.00 0.00 0.00 23.12 24.30 2qub s ALA 429 CO -0.01 -0.55 0.53 -0.47 0.00 0.00 0.00 175.76 175.26 2qub s TYR 430 N -3.75 -0.78 -2.33 0.00 5.04 -1.26 -0.29 117.35 113.98 2qub s TYR 430 Ca 0.38 1.62 0.21 0.00 -2.44 0.00 0.00 57.07 56.84 2qub s TYR 430 Cb 0.05 0.40 0.55 0.00 0.35 0.00 0.00 41.96 43.32 2qub s TYR 430 CO 0.17 -0.41 1.45 -0.40 -1.34 0.00 0.00 175.55 175.03 2qub n ASP 431 N 4.13 2.63 0.00 4.32 5.68 -0.68 -4.90 116.55 127.73 2qub n ASP 431 Ca -0.21 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 2qub n ASP 431 Cb 0.57 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 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 1.33 2.33 0.62 6.12 0.00 -1.26 -4.80 105.19 109.54 2qub n GLY 432 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.35 -4.52 1.61 4.05 -1.26 -4.96 115.26 110.53 2qub n ASN 433 Ca 0.00 0.00 -0.34 0.00 0.45 0.00 0.00 54.58 54.69 2qub n ASN 433 Cb 0.00 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 40.89 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 -1.42 3.87 -0.05 -0.44 2.01 -1.26 -3.85 115.64 114.50 2qub s THR 434 Ca 0.00 -0.38 -0.20 0.00 0.31 0.00 0.00 61.69 61.42 2qub s THR 434 Cb 0.00 -2.67 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 2qub s THR 434 CO 0.00 0.52 0.58 -0.22 -0.69 0.00 0.00 174.62 174.81 2qub s LEU 435 N 0.07 4.36 -0.19 4.42 2.96 0.15 -1.69 118.68 128.76 2qub s LEU 435 Ca -0.00 1.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.94 2qub s LEU 435 Cb -0.13 -2.88 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 2qub s LEU 435 CO 0.03 0.03 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.70 2qub s TYR 436 N 0.22 2.91 -0.11 5.38 2.02 0.61 -0.61 117.35 127.76 2qub s TYR 436 Ca 0.31 -0.87 0.02 0.00 -0.37 0.00 0.00 57.07 56.15 2qub s TYR 436 Cb -0.17 -2.01 0.01 0.00 -0.40 0.00 0.00 41.96 39.39 2qub s TYR 436 CO 0.15 -0.45 -0.18 -0.51 -1.57 0.00 0.00 175.55 172.99 2qub s LEU 437 N 1.09 1.90 -0.15 -1.29 1.43 -0.12 -1.32 118.68 120.22 2qub s LEU 437 Ca 0.01 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2qub s LEU 437 Cb -0.15 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.85 2qub s LEU 437 CO -0.01 0.06 -0.20 -0.60 0.23 0.00 0.00 176.35 175.82 2qub s ARG 438 N 0.82 2.90 0.83 1.70 3.52 -0.34 -0.69 118.95 127.69 2qub s ARG 438 Ca -0.09 -0.81 -0.09 0.00 -0.13 0.00 0.00 55.73 54.61 2qub s ARG 438 Cb -0.16 -2.40 0.15 0.00 -1.56 0.00 0.00 34.95 30.98 2qub s ARG 438 CO 0.00 -0.08 1.16 0.16 -0.81 0.00 0.00 175.30 175.73 2qub s ASP 439 N 0.98 3.83 0.59 -2.12 1.47 -0.53 -1.44 116.67 119.46 2qub s ASP 439 Ca -0.03 0.06 0.37 0.00 1.18 0.00 0.00 52.55 54.13 2qub s ASP 439 Cb -0.15 -0.32 1.79 0.00 -0.34 0.00 0.00 42.92 43.90 2qub s ASP 439 CO -0.05 -2.24 2.14 0.00 0.68 0.00 0.00 175.17 175.70 2qub h ALA 440 N -1.07 1.03 -0.16 2.11 0.00 -1.91 -0.93 119.26 118.33 2qub h ALA 440 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2qub h ALA 440 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2qub h ALA 440 CO 0.42 0.02 0.00 1.63 0.00 0.00 0.00 179.25 181.32 2qub n LYS 441 N -3.14 2.01 -0.41 0.00 5.02 -1.26 -4.94 118.16 115.44 2qub n LYS 441 Ca -0.01 -1.50 0.00 0.00 -2.02 0.00 0.00 58.31 54.78 2qub n LYS 441 Cb 0.21 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 1.27 0.74 3.75 0.72 0.00 -0.35 -5.05 105.19 106.27 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 -1.45 2.41 -0.10 -0.02 0.00 -1.26 -4.76 107.32 102.14 2qub s GLY 443 Ca 0.00 1.30 0.02 0.00 0.00 0.00 0.00 44.72 46.04 2qub s GLY 443 CO 0.00 2.22 -0.15 -0.42 0.00 0.00 0.00 173.10 174.75 2qub s ILE 444 N -0.12 2.93 -0.11 0.90 1.01 -1.16 -1.45 121.20 123.20 2qub s ILE 444 Ca 0.58 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.51 2qub s ILE 444 Cb -0.41 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 2qub s ILE 444 CO 0.44 0.55 -0.15 -0.89 0.00 0.00 0.00 174.94 174.89 2qub s THR 445 N -0.00 2.92 -0.21 2.92 2.01 0.13 -1.56 115.64 121.85 2qub s THR 445 Ca -0.04 -0.72 -0.06 0.00 0.31 0.00 0.00 61.69 61.18 2qub s THR 445 Cb -0.14 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 2qub s THR 445 CO 0.04 0.54 0.02 -0.76 -0.69 0.00 0.00 174.62 173.77 2qub s LEU 446 N 0.16 3.35 -0.12 4.42 1.02 -0.55 -0.94 118.68 126.01 2qub s LEU 446 Ca -0.08 -0.18 -0.00 0.00 0.02 0.00 0.00 54.13 53.89 2qub s LEU 446 Cb -0.15 -1.86 0.02 0.00 0.02 0.00 0.00 46.19 44.22 2qub s LEU 446 CO 0.05 0.05 -0.09 0.00 0.02 0.00 0.00 176.35 176.38 2qub s ALA 447 N 1.08 1.42 0.12 4.21 0.00 0.21 -0.45 121.76 128.36 2qub s ALA 447 Ca 0.03 -0.61 -0.09 0.00 0.00 0.00 0.00 51.96 51.29 2qub s ALA 447 Cb -0.14 -0.92 -0.06 0.00 0.00 0.00 0.00 23.12 22.00 2qub s ALA 447 CO 0.02 -0.37 0.44 -0.51 0.00 0.00 0.00 175.76 175.33 2qub s ASP 448 N 1.59 6.63 -1.51 0.00 1.11 -0.07 -0.67 116.67 123.74 2qub s ASP 448 Ca 0.04 0.80 -0.06 0.00 0.18 0.00 0.00 52.55 53.51 2qub s ASP 448 Cb -0.13 -2.18 0.01 0.00 1.07 0.00 0.00 42.92 41.69 2qub s ASP 448 CO -0.08 0.10 0.76 0.47 1.18 0.00 0.00 175.17 177.61 2qub n ASP 449 N 0.58 -6.21 -4.63 0.27 8.00 -1.25 -1.25 116.55 112.06 2qub n ASP 449 Ca -0.05 -0.36 -0.38 0.00 0.71 0.00 0.00 54.79 54.71 2qub n ASP 449 Cb 0.52 -4.98 -0.09 0.00 -0.02 0.00 0.00 41.12 36.55 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 -3.22 5.22 -0.12 0.53 -1.09 -1.26 -4.24 121.20 117.01 2qub s ILE 450 Ca 0.38 0.52 0.18 0.00 -2.23 0.00 0.00 60.65 59.49 2qub s ILE 450 Cb -0.17 -3.66 -0.20 0.00 -1.58 0.00 0.00 42.46 36.85 2qub s ILE 450 CO 0.47 0.22 0.59 -1.20 -1.23 0.00 0.00 174.94 173.79 2qub n SER 451 N 4.89 0.54 -3.87 3.58 7.64 -0.44 -4.77 113.62 121.19 2qub n SER 451 Ca -0.10 0.24 -0.18 0.00 1.01 0.00 0.00 58.87 59.84 2qub n SER 451 Cb 0.51 0.60 -0.16 0.00 -1.01 0.00 0.00 64.21 64.15 2qub n SER 451 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2qub s THR 452 N -2.89 0.37 -0.26 0.44 2.01 -1.16 -0.82 115.64 113.34 2qub s THR 452 Ca -0.05 -0.04 -0.09 0.00 0.31 0.00 0.00 61.69 61.82 2qub s THR 452 Cb 0.09 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 2qub s THR 452 CO 0.83 0.18 0.11 -0.22 -0.69 0.00 0.00 174.62 174.83 2qub s LEU 453 N 0.86 3.65 -0.16 4.42 2.96 0.03 -1.76 118.68 128.68 2qub s LEU 453 Ca -0.10 -0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 53.61 2qub s LEU 453 Cb -0.13 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 2qub s LEU 453 CO -0.01 -0.04 0.04 -0.60 -1.32 0.00 0.00 176.35 174.42 2qub s ARG 454 N 1.67 3.75 0.40 1.98 3.52 0.19 -0.95 118.95 129.50 2qub s ARG 454 Ca 0.07 -0.37 0.06 0.00 -0.13 0.00 0.00 55.73 55.36 2qub s ARG 454 Cb -0.15 -3.10 -0.08 0.00 -1.56 0.00 0.00 34.95 30.06 2qub s ARG 454 CO 0.06 0.36 0.02 -1.54 -0.81 0.00 0.00 175.30 173.39 2qub s SER 455 N 0.09 3.63 -0.21 -2.12 1.04 -0.32 -1.12 113.70 114.68 2qub s SER 455 Ca 0.04 -1.38 0.02 0.00 0.48 0.00 0.00 55.95 55.11 2qub s SER 455 Cb -0.12 -0.33 0.04 0.00 0.10 0.00 0.00 66.02 65.70 2qub s SER 455 CO 0.01 -0.48 -0.15 -0.75 0.98 0.00 0.00 173.24 172.84 2qub s LYS 456 N -3.74 2.60 0.36 4.02 2.20 -0.48 -1.20 119.74 123.49 2qub s LYS 456 Ca 0.35 -1.04 0.08 0.00 -0.36 0.00 0.00 55.97 55.00 2qub s LYS 456 Cb 0.10 -2.68 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 2qub s LYS 456 CO 0.17 -0.37 0.17 -1.21 -0.36 0.00 0.00 175.35 173.75 2qub s GLU 457 N 1.23 2.38 0.14 4.03 0.41 -0.07 -1.88 118.70 124.94 2qub s GLU 457 Ca -0.01 -1.58 -0.09 0.00 -0.41 0.00 0.00 54.97 52.88 2qub s GLU 457 Cb -0.16 -2.18 -0.01 0.00 -1.78 0.00 0.00 34.13 30.01 2qub s GLU 457 CO -0.09 0.06 0.26 0.99 -0.49 0.00 0.00 175.26 175.98 2qub s THR 458 N -2.45 0.09 0.24 3.63 2.01 -1.26 -1.00 115.64 116.90 2qub s THR 458 Ca 0.39 -1.32 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 2qub s THR 458 Cb -0.02 -1.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 2qub s THR 458 CO 0.23 -0.40 0.37 -0.94 -0.69 0.00 0.00 174.62 173.20 2qub s SER 459 N -2.94 0.02 0.60 3.53 1.04 -0.67 -4.98 113.70 110.31 2qub s SER 459 Ca 0.14 -1.09 0.28 0.00 0.48 0.00 0.00 55.95 55.76 2qub s SER 459 Cb 0.04 0.53 1.46 0.00 0.10 0.00 0.00 66.02 68.14 2qub s SER 459 CO -0.03 -1.05 1.86 4.11 0.98 0.00 0.00 173.24 179.11 2qub h TRP 460 N 2.36 0.00 0.00 5.02 5.08 -2.02 -3.20 115.95 123.19 2qub h TRP 460 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.68 2qub h TRP 460 Cb 1.25 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.41 2qub h TRP 460 CO 0.42 0.00 -0.04 1.25 -1.28 0.00 0.00 178.44 178.79 2qub h LEU 461 N 0.00 0.00 -8.33 0.11 5.85 -2.04 -3.45 115.31 107.44 2qub h LEU 461 Ca 0.20 0.00 -0.71 0.00 0.84 0.00 0.00 57.88 58.21 2qub h LEU 461 Cb 1.20 0.00 -0.25 0.00 0.37 0.00 0.00 40.66 41.98 2qub h LEU 461 CO -0.00 0.06 -0.53 0.27 -0.34 0.00 0.00 178.44 177.90 2qub s ILE 462 N -1.10 4.42 -0.29 4.05 -4.36 -1.21 -4.96 121.20 117.74 2qub s ILE 462 Ca -0.01 -0.92 0.20 0.00 -0.26 0.00 0.00 60.65 59.66 2qub s ILE 462 Cb 0.00 -3.47 0.20 0.00 1.25 0.00 0.00 42.46 40.44 2qub s ILE 462 CO 0.02 -0.23 1.62 0.49 0.24 0.00 0.00 174.94 177.08 2qub n PHE 463 N 4.96 0.68 -3.66 1.37 3.01 -1.25 -1.66 117.46 120.90 2qub n PHE 463 Ca -0.12 0.35 -0.14 0.00 1.01 0.00 0.00 57.45 58.55 2qub n PHE 463 Cb 0.46 -1.05 -0.08 0.00 -0.01 0.00 0.00 39.48 38.79 2qub n PHE 463 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 2qub s ASN 464 N -3.97 -0.65 -0.22 4.37 0.02 -1.26 -4.63 114.94 108.60 2qub s ASN 464 Ca -0.02 1.25 -0.11 0.00 -1.02 0.00 0.00 52.86 52.97 2qub s ASN 464 Cb 0.06 1.27 0.08 0.00 0.02 0.00 0.00 41.25 42.67 2qub s ASN 464 CO 0.20 -0.23 0.52 -0.75 0.02 0.00 0.00 177.10 176.86 2qub s LYS 465 N 0.30 0.49 0.07 -0.60 2.20 -0.17 -4.97 119.74 117.05 2qub s LYS 465 Ca -0.00 1.03 -0.30 0.00 -0.36 0.00 0.00 55.97 56.34 2qub s LYS 465 Cb -0.04 0.19 -0.05 0.00 -1.51 0.00 0.00 37.83 36.42 2qub s LYS 465 CO 0.01 -0.18 0.95 -1.21 -0.36 0.00 0.00 175.35 174.56 2qub s GLU 466 N 1.86 4.64 -0.14 4.03 0.41 -1.26 -0.89 118.70 127.35 2qub s GLU 466 Ca -0.08 1.40 0.00 0.00 -0.41 0.00 0.00 54.97 55.89 2qub s GLU 466 Cb -0.09 -3.40 0.02 0.00 -1.78 0.00 0.00 34.13 28.88 2qub s GLU 466 CO -0.15 0.13 -0.12 0.08 -0.49 0.00 0.00 175.26 174.70 2qub s VAL 467 N 0.34 1.43 -0.04 2.63 1.01 -0.34 -4.96 120.40 120.47 2qub s VAL 467 Ca 0.48 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 2qub s VAL 467 Cb -0.22 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 2qub s VAL 467 CO 0.29 0.42 0.40 -1.81 0.00 0.00 0.00 175.10 174.40 2qub s ASP 468 N 1.54 6.75 -0.19 3.32 1.01 -1.26 -1.18 116.67 126.66 2qub s ASP 468 Ca 0.05 0.89 0.01 0.00 0.71 0.00 0.00 52.55 54.20 2qub s ASP 468 Cb -0.13 -2.25 0.04 0.00 1.01 0.00 0.00 42.92 41.60 2qub s ASP 468 CO -0.10 0.25 -0.10 -1.00 0.21 0.00 0.00 175.17 174.44 2qub s HIS 469 N -0.65 2.29 0.10 4.23 3.76 -0.12 -4.64 115.29 120.25 2qub s HIS 469 Ca 0.23 -1.49 -0.31 0.00 -0.15 0.00 0.00 55.06 53.35 2qub s HIS 469 Cb -0.16 -1.59 -0.08 0.00 1.11 0.00 0.00 32.58 31.86 2qub s HIS 469 CO 0.12 -0.72 1.49 -1.14 -0.85 0.00 0.00 174.74 173.64 2qub s GLN 470 N 1.44 4.26 -0.48 1.40 0.74 0.15 -0.79 119.66 126.38 2qub s GLN 470 Ca -0.00 2.18 -0.26 0.00 0.05 0.00 0.00 55.36 57.33 2qub s GLN 470 Cb -0.16 -3.35 0.03 0.00 1.10 0.00 0.00 33.01 30.63 2qub s GLN 470 CO -0.08 -0.56 0.96 0.08 -0.55 0.00 0.00 175.29 175.14 2qub s VAL 471 N 1.65 4.41 0.33 1.34 1.01 0.00 -1.10 120.40 128.03 2qub s VAL 471 Ca 0.68 0.75 0.10 0.00 0.00 0.00 0.00 61.98 63.51 2qub s VAL 471 Cb -0.38 -4.48 -0.06 0.00 0.00 0.00 0.00 36.38 31.46 2qub s VAL 471 CO 0.30 -0.91 -0.12 0.42 0.00 0.00 0.00 175.10 174.79 2qub s THR 472 N 3.92 2.30 0.43 3.92 -4.23 -0.76 -4.92 115.64 116.30 2qub s THR 472 Ca 0.38 -2.25 0.15 0.00 -1.18 0.00 0.00 61.69 58.79 2qub s THR 472 Cb -0.10 -2.57 0.35 0.00 1.34 0.00 0.00 72.50 71.52 2qub s THR 472 CO 0.26 -0.25 1.94 0.00 -0.54 0.00 0.00 174.62 176.03 2qub h ALA 473 N 2.08 2.10 0.00 3.99 0.00 -1.95 -2.52 119.26 122.96 2qub h ALA 473 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2qub h ALA 473 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2qub h ALA 473 CO 0.68 -0.28 -0.61 0.00 0.00 0.00 0.00 179.25 179.04 2qub n ALA 474 N -2.53 3.29 0.00 0.00 0.00 -1.26 -4.93 120.51 115.08 2qub n ALA 474 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2qub n ALA 474 Cb 0.48 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 1.42 -0.43 3.70 0.00 0.00 -0.95 -4.32 105.19 104.61 2qub n GLY 475 Ca 0.04 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 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 4.26 -0.22 0.99 1.43 -0.02 -1.83 118.68 123.28 2qub s LEU 476 Ca 0.00 1.23 -0.05 0.00 -1.03 0.00 0.00 54.13 54.27 2qub s LEU 476 Cb 0.00 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.01 2qub s LEU 476 CO 0.00 -0.24 0.01 -0.75 0.23 0.00 0.00 176.35 175.60 2qub s LYS 477 N 1.37 3.55 0.30 1.70 2.20 -0.26 -0.56 119.74 128.04 2qub s LYS 477 Ca 0.39 -0.54 0.06 0.00 -0.36 0.00 0.00 55.97 55.52 2qub s LYS 477 Cb -0.18 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 32.98 2qub s LYS 477 CO 0.17 -0.13 0.20 0.45 -0.36 0.00 0.00 175.35 175.68 2qub n SER 478 N 4.68 0.01 0.14 1.43 2.88 -0.59 -0.67 113.62 121.51 2qub n SER 478 Ca -0.17 -2.86 0.08 0.00 -1.33 0.00 0.00 58.87 54.59 2qub n SER 478 Cb 0.51 1.23 0.42 0.00 -0.75 0.00 0.00 64.21 65.63 2qub n SER 478 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2qub n ASP 479 N -1.79 0.40 -0.02 -3.46 9.92 -1.26 -1.56 116.55 118.78 2qub n ASP 479 Ca 0.03 0.64 0.09 0.00 -0.53 0.00 0.00 54.79 55.01 2qub n ASP 479 Cb 0.52 -0.65 -0.10 0.00 -0.64 0.00 0.00 41.12 40.25 2qub n ASP 479 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2qub n SER 480 N -2.06 0.90 0.00 -2.24 3.41 -1.26 -5.10 113.62 107.27 2qub n SER 480 Ca -0.01 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 2qub n SER 480 Cb 0.15 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 2qub n SER 480 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qub n GLY 481 N 1.42 0.57 3.68 5.00 0.00 -0.60 -5.04 105.19 110.22 2qub n GLY 481 Ca 0.04 -2.16 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 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 4.16 -0.35 0.99 2.96 -1.26 -1.54 118.68 123.64 2qub s LEU 482 Ca 0.00 0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 54.14 2qub s LEU 482 Cb 0.00 -2.23 0.06 0.00 0.50 0.00 0.00 46.19 44.52 2qub s LEU 482 CO 0.00 0.05 0.10 -0.75 -1.32 0.00 0.00 176.35 174.44 2qub s LYS 483 N 0.93 2.46 0.67 1.98 2.20 0.27 -4.95 119.74 123.31 2qub s LYS 483 Ca 0.11 -1.34 -0.16 0.00 -0.36 0.00 0.00 55.97 54.23 2qub s LYS 483 Cb -0.13 -3.42 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 2qub s LYS 483 CO 0.04 -0.74 1.15 0.00 -0.36 0.00 0.00 175.35 175.44 2qub s ALA 484 N 1.32 2.38 0.37 3.13 0.00 -1.26 -0.84 121.76 126.85 2qub s ALA 484 Ca -0.01 0.70 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 2qub s ALA 484 Cb -0.20 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 2qub s ALA 484 CO 0.00 -1.42 0.92 0.71 0.00 0.00 0.00 175.76 175.97 2qub s TYR 485 N -2.14 3.48 -1.30 0.00 2.02 -1.26 -4.86 117.35 113.29 2qub s TYR 485 Ca 0.70 1.63 -0.09 0.00 -0.37 0.00 0.00 57.07 58.94 2qub s TYR 485 Cb -0.24 -2.84 0.15 0.00 -0.40 0.00 0.00 41.96 38.63 2qub s TYR 485 CO 0.41 0.05 1.95 0.00 -1.57 0.00 0.00 175.55 176.39 2qub n ALA 486 N -0.08 5.52 -3.33 3.71 0.00 -1.26 -4.91 120.51 120.16 2qub n ALA 486 Ca 0.04 -4.27 -0.15 0.00 0.00 0.00 0.00 53.44 49.07 2qub n ALA 486 Cb 0.52 -3.00 -0.07 0.00 0.00 0.00 0.00 19.45 16.90 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 0.43 -1.17 -0.19 0.00 0.00 -1.26 -0.51 121.76 119.05 2qub s ALA 487 Ca 0.41 0.68 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 2qub s ALA 487 Cb 0.11 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 2qub s ALA 487 CO -0.01 -0.33 0.04 0.00 0.00 0.00 0.00 175.76 175.46 2qub s ALA 488 N -1.43 3.24 -0.10 0.00 0.00 -0.88 -4.99 121.76 117.59 2qub s ALA 488 Ca -0.12 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.02 2qub s ALA 488 Cb -0.03 -1.86 0.01 0.00 0.00 0.00 0.00 23.12 21.24 2qub s ALA 488 CO 0.05 0.03 -0.21 0.99 0.00 0.00 0.00 175.76 176.63 2qub s THR 489 N 0.66 1.85 0.29 0.00 2.01 -1.26 -1.35 115.64 117.85 2qub s THR 489 Ca 0.02 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.15 2qub s THR 489 Cb -0.14 -1.63 0.06 0.00 0.01 0.00 0.00 72.50 70.80 2qub s THR 489 CO 0.02 0.51 0.40 0.61 -0.69 0.00 0.00 174.62 175.47 2qub n GLY 490 N 3.77 1.14 0.00 4.40 0.00 0.46 -5.00 105.19 109.95 2qub n GLY 490 Ca -0.20 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 1.78 6.11 0.31 -0.02 0.00 -1.26 -4.72 105.19 107.39 2qub n GLY 491 Ca 0.07 -1.79 0.20 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.90 1.61 3.32 -1.87 -3.27 116.42 111.31 2qub h ASP 492 Ca 0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 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 0.25 0.61 -1.72 0.00 0.00 179.24 178.38 2qub n GLY 493 N -0.61 -0.26 3.52 2.75 0.00 -1.26 -3.75 105.19 105.58 2qub n GLY 493 Ca -0.01 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 2qub n GLY 493 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qub s ASP 494 N -5.51 6.23 0.03 1.61 1.01 -1.26 -4.42 116.67 114.35 2qub s ASP 494 Ca 0.72 -0.81 -0.02 0.00 0.71 0.00 0.00 52.55 53.15 2qub s ASP 494 Cb -0.03 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2qub s ASP 494 CO 0.49 -1.64 0.21 -1.81 0.21 0.00 0.00 175.17 172.62 2qub s ASP 495 N 3.87 6.38 -0.32 0.27 1.01 -1.26 -4.92 116.67 121.70 2qub s ASP 495 Ca 0.32 0.34 -0.07 0.00 0.71 0.00 0.00 52.55 53.86 2qub s ASP 495 Cb -0.09 -1.99 0.02 0.00 1.01 0.00 0.00 42.92 41.87 2qub s ASP 495 CO 0.09 0.21 0.09 -0.69 0.21 0.00 0.00 175.17 175.09 2qub s VAL 496 N -1.41 3.87 -0.25 -1.27 1.01 -1.26 -0.67 120.40 120.41 2qub s VAL 496 Ca 0.31 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 2qub s VAL 496 Cb -0.13 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2qub s VAL 496 CO 0.23 -0.05 -0.00 -0.76 0.00 0.00 0.00 175.10 174.51 2qub s LEU 497 N 1.45 3.29 -0.21 3.92 1.43 0.20 -4.98 118.68 123.77 2qub s LEU 497 Ca 0.00 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.44 2qub s LEU 497 Cb -0.18 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 2qub s LEU 497 CO 0.03 -0.10 0.06 -1.58 0.23 0.00 0.00 176.35 174.98 2qub s GLN 498 N 1.45 3.81 0.29 1.70 0.74 -1.26 -0.77 119.66 125.61 2qub s GLN 498 Ca 0.03 -0.42 -0.29 0.00 0.05 0.00 0.00 55.36 54.73 2qub s GLN 498 Cb -0.16 -3.24 -0.10 0.00 1.10 0.00 0.00 33.01 30.61 2qub s GLN 498 CO -0.01 0.06 1.42 0.00 -0.55 0.00 0.00 175.29 176.21 2qub s ALA 499 N 0.93 3.60 0.60 1.58 0.00 -0.66 -4.99 121.76 122.81 2qub s ALA 499 Ca 0.03 1.35 0.03 0.00 0.00 0.00 0.00 51.96 53.38 2qub s ALA 499 Cb -0.14 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.50 2qub s ALA 499 CO 0.03 -0.77 0.83 1.03 0.00 0.00 0.00 175.76 176.87 2qub s ARG 500 N -0.92 2.25 0.25 0.00 0.52 -1.26 -4.78 118.95 115.01 2qub s ARG 500 Ca 0.56 -1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 54.65 2qub s ARG 500 Cb -0.42 -2.50 0.49 0.00 0.52 0.00 0.00 34.95 33.04 2qub s ARG 500 CO 0.48 -0.93 1.73 0.77 0.02 0.00 0.00 175.30 177.37 2qub h SER 501 N -0.04 0.29 -0.36 0.23 0.02 -2.04 -2.41 113.55 109.24 2qub h SER 501 Ca -0.38 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2qub h SER 501 Cb 1.28 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2qub h SER 501 CO 0.45 0.10 0.00 1.41 -1.14 0.00 0.00 176.83 177.65 2qub n HIS 502 N -5.00 0.69 -2.05 3.45 8.25 -1.26 -4.96 115.22 114.33 2qub n HIS 502 Ca 0.15 -0.61 -0.42 0.00 -0.26 0.00 0.00 57.72 56.58 2qub n HIS 502 Cb 0.44 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.24 6.71 -0.01 0.41 1.01 -0.91 -4.76 116.67 117.88 2qub s ASP 503 Ca 0.31 2.49 0.13 0.00 0.71 0.00 0.00 52.55 56.19 2qub s ASP 503 Cb 0.20 -2.59 -0.16 0.00 1.01 0.00 0.00 42.92 41.37 2qub s ASP 503 CO 0.15 -0.73 0.43 0.00 0.21 0.00 0.00 175.17 175.23 2qub n ALA 504 N 3.71 3.16 -2.93 5.23 0.00 0.33 -4.86 120.51 125.15 2qub n ALA 504 Ca 0.12 -0.33 -0.10 0.00 0.00 0.00 0.00 53.44 53.12 2qub n ALA 504 Cb 0.40 -0.45 -0.12 0.00 0.00 0.00 0.00 19.45 19.28 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 -2.47 0.16 -0.13 0.00 0.52 -1.05 -1.47 118.94 114.49 2qub s TRP 505 Ca 0.01 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 55.83 2qub s TRP 505 Cb 0.09 -0.11 0.02 0.00 -1.15 0.00 0.00 33.47 32.31 2qub s TRP 505 CO 0.52 -0.11 -0.16 -0.51 0.02 0.00 0.00 176.95 176.71 2qub s LEU 506 N -0.87 1.78 -0.33 2.99 1.43 -0.50 -2.07 118.68 121.12 2qub s LEU 506 Ca -0.09 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 2qub s LEU 506 Cb -0.06 -1.20 0.07 0.00 0.03 0.00 0.00 46.19 45.03 2qub s LEU 506 CO -0.01 -0.01 0.05 -0.36 0.23 0.00 0.00 176.35 176.26 2qub s PHE 507 N 1.20 3.39 0.27 0.29 0.08 -0.46 -0.92 117.98 121.83 2qub s PHE 507 Ca -0.01 -2.13 0.08 0.00 0.12 0.00 0.00 56.93 54.99 2qub s PHE 507 Cb -0.14 -2.46 0.36 0.00 -0.57 0.00 0.00 43.02 40.22 2qub s PHE 507 CO -0.06 -0.86 1.62 0.78 -0.10 0.00 0.00 175.22 176.60 2qub h GLY 508 N 7.96 0.10 0.00 4.36 0.00 -1.35 0.13 103.07 114.27 2qub h GLY 508 Ca -0.17 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2qub h GLY 508 CO 0.57 0.11 0.00 0.70 0.00 0.00 0.00 176.54 177.92 2qub n ASN 509 N -3.87 -0.70 -4.66 0.19 3.02 -1.21 -4.01 115.26 104.02 2qub n ASN 509 Ca -0.02 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.24 2qub n ASN 509 Cb 0.59 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.93 2qub n ASN 509 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qub s ALA 510 N -1.88 1.02 0.00 5.41 0.00 -1.24 -3.77 121.76 121.30 2qub s ALA 510 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2qub s ALA 510 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2qub s ALA 510 CO 0.00 -2.79 0.00 0.41 0.00 0.00 0.00 175.76 173.38 2qub n GLY 511 N -0.56 -0.73 3.37 0.00 0.00 -1.25 -4.22 105.19 101.80 2qub n GLY 511 Ca 0.06 -1.70 -0.45 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.76 6.27 0.15 1.61 0.01 -1.26 -4.11 114.94 114.84 2qub s ASN 512 Ca 0.00 -1.62 0.04 0.00 -0.71 0.00 0.00 52.86 50.56 2qub s ASN 512 Cb 0.00 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 2qub s ASN 512 CO 0.00 -1.05 0.20 -1.81 -1.51 0.00 0.00 177.10 172.94 2qub s ASP 513 N 3.50 5.93 -0.24 -1.22 1.01 -1.25 -4.09 116.67 120.31 2qub s ASP 513 Ca 0.13 0.03 -0.05 0.00 0.71 0.00 0.00 52.55 53.38 2qub s ASP 513 Cb -0.22 -1.68 -0.01 0.00 1.01 0.00 0.00 42.92 42.02 2qub s ASP 513 CO 0.03 0.07 -0.00 -0.89 0.21 0.00 0.00 175.17 174.59 2qub s THR 514 N -1.71 3.59 -0.27 -1.27 2.01 0.16 -0.62 115.64 117.53 2qub s THR 514 Ca 0.33 -0.52 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 2qub s THR 514 Cb -0.11 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 2qub s THR 514 CO 0.26 0.33 0.07 -0.76 -0.69 0.00 0.00 174.62 173.82 2qub s LEU 515 N 1.49 3.58 -0.19 4.42 1.02 0.69 -0.63 118.68 129.07 2qub s LEU 515 Ca 0.05 -0.46 -0.03 0.00 0.02 0.00 0.00 54.13 53.70 2qub s LEU 515 Cb -0.15 -1.89 -0.02 0.00 0.02 0.00 0.00 46.19 44.16 2qub s LEU 515 CO -0.01 -0.11 -0.05 -0.63 0.02 0.00 0.00 176.35 175.57 2qub s ILE 516 N 1.55 3.56 0.56 -0.59 1.01 0.05 -0.34 121.20 127.00 2qub s ILE 516 Ca 0.05 -0.45 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 2qub s ILE 516 Cb -0.16 -2.59 0.13 0.00 0.01 0.00 0.00 42.46 39.85 2qub s ILE 516 CO 0.02 0.46 0.76 0.61 0.00 0.00 0.00 174.94 176.79 2qub n GLY 517 N 4.19 -1.06 3.32 6.18 0.00 -0.46 -1.65 105.19 115.72 2qub n GLY 517 Ca -0.18 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.59 1.54 0.41 1.61 -3.43 -1.26 -4.61 115.29 106.96 2qub s HIS 518 Ca 0.44 -0.82 0.16 0.00 -0.80 0.00 0.00 55.06 54.04 2qub s HIS 518 Cb -0.01 -0.85 1.04 0.00 -1.43 0.00 0.00 32.58 31.32 2qub s HIS 518 CO 0.31 0.07 1.86 0.00 -2.00 0.00 0.00 174.74 174.98 2qub h ALA 519 N 2.54 2.13 0.00 -1.38 0.00 -1.97 -1.43 119.26 119.15 2qub h ALA 519 Ca -0.38 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 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 0.64 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.90 2qub n GLY 520 N -1.50 -0.96 7.00 0.00 0.00 -1.26 -4.50 105.19 103.98 2qub n GLY 520 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.75 1.67 3.68 -0.02 0.00 -0.54 -4.74 105.19 106.00 2qub n GLY 521 Ca 0.17 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.74 -4.55 -4.48 1.61 5.03 -0.27 -4.88 115.26 105.99 2qub n ASN 522 Ca 0.00 -0.63 -0.32 0.00 0.87 0.00 0.00 54.58 54.50 2qub n ASN 522 Cb 0.00 -3.67 -0.13 0.00 -1.02 0.00 0.00 39.78 34.96 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 -6.99 2.72 -0.26 3.41 2.96 -1.26 -4.82 118.68 114.45 2qub s LEU 523 Ca 0.56 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 54.14 2qub s LEU 523 Cb -0.28 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 2qub s LEU 523 CO 0.69 0.31 0.05 -0.89 -1.32 0.00 0.00 176.35 175.19 2qub s THR 524 N -0.82 3.99 -0.22 3.68 2.01 -0.54 -1.07 115.64 122.67 2qub s THR 524 Ca 0.13 -0.44 -0.17 0.00 0.31 0.00 0.00 61.69 61.52 2qub s THR 524 Cb -0.11 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 2qub s THR 524 CO 0.03 0.26 0.46 -0.36 -0.69 0.00 0.00 174.62 174.31 2qub s PHE 525 N 1.54 3.34 -0.42 4.92 0.08 0.80 -1.41 117.98 126.83 2qub s PHE 525 Ca 0.05 0.65 0.02 0.00 0.12 0.00 0.00 56.93 57.77 2qub s PHE 525 Cb -0.16 -2.62 0.13 0.00 -0.57 0.00 0.00 43.02 39.81 2qub s PHE 525 CO 0.02 -0.11 0.21 0.08 -0.10 0.00 0.00 175.22 175.32 2qub s VAL 526 N 1.67 1.43 0.49 -0.44 1.01 -0.10 -1.25 120.40 123.22 2qub s VAL 526 Ca 0.21 -2.44 0.17 0.00 0.00 0.00 0.00 61.98 59.91 2qub s VAL 526 Cb -0.15 -2.01 0.24 0.00 0.00 0.00 0.00 36.38 34.46 2qub s VAL 526 CO 0.09 -0.85 2.09 1.23 0.00 0.00 0.00 175.10 177.66 2qub h GLY 527 N 6.92 0.00 0.00 4.51 0.00 -1.80 -1.24 103.07 111.46 2qub h GLY 527 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2qub h GLY 527 CO 0.49 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.64 2qub n GLY 528 N -1.27 -0.68 3.62 4.60 0.00 -1.26 -3.36 105.19 106.84 2qub n GLY 528 Ca -0.03 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 2qub n GLY 528 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qub s SER 529 N -4.00 2.38 0.00 1.61 1.04 -1.25 -4.63 113.70 108.85 2qub s SER 529 Ca 0.00 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.05 2qub s SER 529 Cb 0.00 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.84 2qub s SER 529 CO 0.00 -3.35 0.00 0.61 0.98 0.00 0.00 173.24 171.48 2qub n GLY 530 N -0.15 -1.09 3.36 7.32 0.00 -1.26 -3.88 105.19 109.50 2qub n GLY 530 Ca 0.06 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.46 5.95 0.07 1.61 1.01 -1.26 -3.94 116.67 117.65 2qub s ASP 531 Ca 0.00 -1.27 0.06 0.00 0.71 0.00 0.00 52.55 52.05 2qub s ASP 531 Cb 0.00 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.79 2qub s ASP 531 CO 0.00 -0.55 -0.07 -1.81 0.21 0.00 0.00 175.17 172.94 2qub s ASP 532 N 2.20 4.58 -0.21 0.27 1.01 -1.21 -3.94 116.67 119.38 2qub s ASP 532 Ca 0.04 -0.28 -0.08 0.00 0.71 0.00 0.00 52.55 52.94 2qub s ASP 532 Cb -0.23 -0.97 -0.04 0.00 1.01 0.00 0.00 42.92 42.69 2qub s ASP 532 CO 0.06 0.21 0.08 -0.63 0.21 0.00 0.00 175.17 175.10 2qub s ILE 533 N -1.17 4.78 -0.25 0.77 1.01 0.21 -0.87 121.20 125.68 2qub s ILE 533 Ca 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.85 2qub s ILE 533 Cb -0.11 -3.18 0.05 0.00 0.01 0.00 0.00 42.46 39.22 2qub s ILE 533 CO 0.13 0.41 -0.11 -0.76 0.00 0.00 0.00 174.94 174.61 2qub s LEU 534 N 0.75 3.19 -0.67 2.97 1.43 0.32 -0.23 118.68 126.45 2qub s LEU 534 Ca 0.04 -1.16 -0.10 0.00 -1.03 0.00 0.00 54.13 51.88 2qub s LEU 534 Cb -0.13 -1.57 0.17 0.00 0.03 0.00 0.00 46.19 44.69 2qub s LEU 534 CO 0.02 -0.15 0.56 -0.54 0.23 0.00 0.00 176.35 176.47 2qub s LYS 535 N 1.18 3.02 0.22 1.70 1.02 0.54 -0.64 119.74 126.80 2qub s LYS 535 Ca -0.05 -2.25 -0.30 0.00 0.02 0.00 0.00 55.97 53.39 2qub s LYS 535 Cb -0.18 -4.12 -0.09 0.00 -0.52 0.00 0.00 37.83 32.92 2qub s LYS 535 CO -0.06 -1.24 1.30 0.20 -0.92 0.00 0.00 175.35 174.62 2qub s GLY 536 N 2.03 2.56 -0.03 -3.33 0.00 -0.07 -1.35 107.32 107.14 2qub s GLY 536 Ca 0.13 1.12 0.02 0.00 0.00 0.00 0.00 44.72 45.99 2qub s GLY 536 CO -0.04 2.02 -0.06 0.14 0.00 0.00 0.00 173.10 175.16 2qub s VAL 537 N -0.14 0.59 0.00 1.40 1.01 -1.26 -4.48 120.40 117.52 2qub s VAL 537 Ca 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.31 2qub s VAL 537 Cb -0.37 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.44 2qub s VAL 537 CO 0.41 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.33 2qub n GLY 538 N 3.61 -0.32 3.62 4.51 0.00 -1.26 -3.89 105.19 111.46 2qub n GLY 538 Ca -0.21 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 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 4.43 -0.58 1.61 0.01 -1.26 -4.75 114.94 110.40 2qub s ASN 539 Ca 0.00 -0.65 0.00 0.00 -0.71 0.00 0.00 52.86 51.50 2qub s ASN 539 Cb 0.00 -0.79 0.00 0.00 0.41 0.00 0.00 41.25 40.87 2qub s ASN 539 CO 0.00 0.03 0.00 0.61 -1.51 0.00 0.00 177.10 176.23 2qub n GLY 540 N -0.64 0.41 3.84 0.66 0.00 -1.20 -1.11 105.19 107.15 2qub n GLY 540 Ca -0.07 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.81 6.80 -0.10 1.61 0.01 -1.26 -3.44 114.94 115.76 2qub s ASN 541 Ca 0.00 1.37 0.02 0.00 -0.71 0.00 0.00 52.86 53.54 2qub s ASN 541 Cb 0.00 -2.41 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 2qub s ASN 541 CO 0.00 -0.25 -0.17 -0.89 -1.51 0.00 0.00 177.10 174.28 2qub s THR 542 N -2.05 2.77 -0.25 1.60 2.01 -0.23 -1.11 115.64 118.38 2qub s THR 542 Ca 0.56 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.73 2qub s THR 542 Cb -0.10 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.30 2qub s THR 542 CO 0.17 0.55 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.28 2qub s PHE 543 N 0.04 3.05 -0.10 4.92 0.08 -0.04 -0.14 117.98 125.78 2qub s PHE 543 Ca -0.06 -1.12 0.01 0.00 0.12 0.00 0.00 56.93 55.88 2qub s PHE 543 Cb -0.15 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 2qub s PHE 543 CO 0.05 -0.60 -0.14 -1.17 -0.10 0.00 0.00 175.22 173.25 2qub s LEU 544 N 1.44 2.67 -0.03 -0.37 2.96 -0.38 -1.20 118.68 123.77 2qub s LEU 544 Ca 0.03 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2qub s LEU 544 Cb -0.16 -1.58 0.03 0.00 0.50 0.00 0.00 46.19 44.98 2qub s LEU 544 CO -0.02 0.22 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.87 2qub s PHE 545 N 0.02 0.38 0.01 5.38 0.08 -0.34 -4.41 117.98 119.10 2qub s PHE 545 Ca -0.05 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 56.97 2qub s PHE 545 Cb -0.14 -0.46 -0.01 0.00 -0.57 0.00 0.00 43.02 41.84 2qub s PHE 545 CO 0.04 -0.14 -0.02 0.45 -0.10 0.00 0.00 175.22 175.45 2qub s SER 546 N 1.04 0.18 1.12 1.36 0.15 -1.26 -1.31 113.70 114.98 2qub s SER 546 Ca -0.09 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2qub s SER 546 Cb -0.14 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 2qub s SER 546 CO -0.02 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2qub n GLY 547 N 2.27 3.06 3.46 9.45 0.00 -0.91 -3.77 105.19 118.75 2qub n GLY 547 Ca -0.18 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 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 6.35 0.00 1.61 1.01 -1.26 -4.63 116.67 115.76 2qub s ASP 548 Ca 0.00 -1.39 0.22 0.00 0.71 0.00 0.00 52.55 52.09 2qub s ASP 548 Cb 0.00 -2.42 0.62 0.00 1.01 0.00 0.00 42.92 42.12 2qub s ASP 548 CO 0.00 -1.32 1.51 2.22 0.21 0.00 0.00 175.17 177.79 2qub n PHE 549 N 7.40 0.93 -4.45 4.23 1.16 -1.25 -4.62 117.46 120.87 2qub n PHE 549 Ca 0.08 -0.50 0.00 0.00 -1.87 0.00 0.00 57.45 55.17 2qub n PHE 549 Cb 0.47 -0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.34 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 1.55 -0.24 3.15 4.97 0.00 -1.26 -4.40 105.19 108.96 2qub n GLY 550 Ca 0.23 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 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 2.24 0.15 1.61 0.52 -1.25 -1.25 118.95 120.97 2qub s ARG 551 Ca 0.00 -1.48 0.04 0.00 -0.52 0.00 0.00 55.73 53.77 2qub s ARG 551 Cb 0.00 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 2qub s ARG 551 CO 0.00 -0.79 0.14 -0.51 0.02 0.00 0.00 175.30 174.16 2qub s ASP 552 N 1.43 5.63 -0.14 0.23 1.11 -0.27 -3.30 116.67 121.35 2qub s ASP 552 Ca 0.00 -0.07 0.01 0.00 0.18 0.00 0.00 52.55 52.68 2qub s ASP 552 Cb -0.21 -1.51 -0.00 0.00 1.07 0.00 0.00 42.92 42.27 2qub s ASP 552 CO -0.02 0.09 -0.17 -1.10 1.18 0.00 0.00 175.17 175.14 2qub s GLN 553 N -2.98 3.17 -0.26 8.23 -0.21 -0.05 -1.18 119.66 126.38 2qub s GLN 553 Ca 0.31 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 54.92 2qub s GLN 553 Cb -0.11 -2.55 0.05 0.00 1.00 0.00 0.00 33.01 31.41 2qub s GLN 553 CO 0.24 0.05 -0.08 -1.17 -2.12 0.00 0.00 175.29 172.21 2qub s LEU 554 N 0.71 3.43 0.02 2.90 0.20 0.72 -0.53 118.68 126.13 2qub s LEU 554 Ca -0.08 -1.22 -0.01 0.00 0.69 0.00 0.00 54.13 53.50 2qub s LEU 554 Cb -0.16 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 43.96 2qub s LEU 554 CO 0.01 -0.18 0.18 -0.31 -0.29 0.00 0.00 176.35 175.76 2qub s TYR 555 N 1.19 3.52 -0.11 5.38 2.02 0.19 -1.41 117.35 128.13 2qub s TYR 555 Ca -0.05 0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 2qub s TYR 555 Cb -0.19 -1.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 2qub s TYR 555 CO -0.04 0.62 0.00 0.41 -1.57 0.00 0.00 175.55 174.96 2qub n GLY 556 N 0.71 0.42 3.77 0.71 0.00 -1.26 -0.89 105.19 108.64 2qub n GLY 556 Ca -0.09 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.05 3.11 0.33 1.61 5.36 -1.26 -4.69 117.98 120.39 2qub s PHE 557 Ca 0.00 1.46 0.02 0.00 -0.96 0.00 0.00 56.93 57.45 2qub s PHE 557 Cb 0.00 -3.61 -0.02 0.00 -0.34 0.00 0.00 43.02 39.05 2qub s PHE 557 CO 0.00 -1.66 0.36 0.54 -1.46 0.00 0.00 175.22 173.00 2qub s ASN 558 N -0.58 1.22 0.16 6.13 2.20 -1.26 -5.02 114.94 117.80 2qub s ASN 558 Ca 0.49 -1.60 0.17 0.00 -0.94 0.00 0.00 52.86 50.97 2qub s ASN 558 Cb -0.38 0.59 0.76 0.00 -2.00 0.00 0.00 41.25 40.22 2qub s ASN 558 CO 0.51 -1.16 1.51 0.00 -2.94 0.00 0.00 177.10 175.02 2qub n ALA 559 N -0.57 1.40 1.10 3.54 0.00 -1.26 -1.69 120.51 123.02 2qub n ALA 559 Ca 0.04 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.66 2qub n ALA 559 Cb 0.62 -1.26 0.14 0.00 0.00 0.00 0.00 19.45 18.95 2qub n ALA 559 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qub n SER 560 N -1.93 1.53 -4.95 0.00 3.41 -1.26 -4.98 113.62 105.44 2qub n SER 560 Ca 0.01 -1.20 -0.24 0.00 -0.26 0.00 0.00 58.87 57.19 2qub n SER 560 Cb 0.13 0.37 0.01 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.54 5.83 0.02 4.04 1.01 -0.68 -3.23 116.67 121.13 2qub s ASP 561 Ca 0.20 0.37 0.04 0.00 0.71 0.00 0.00 52.55 53.86 2qub s ASP 561 Cb 0.18 -1.60 -0.02 0.00 1.01 0.00 0.00 42.92 42.50 2qub s ASP 561 CO 0.58 -0.73 -0.11 -0.75 0.21 0.00 0.00 175.17 174.37 2qub s LYS 562 N -4.61 0.77 -0.11 8.23 2.20 -0.26 -4.77 119.74 121.19 2qub s LYS 562 Ca 0.49 -0.59 -0.00 0.00 -0.36 0.00 0.00 55.97 55.51 2qub s LYS 562 Cb -0.10 -0.73 -0.02 0.00 -1.51 0.00 0.00 37.83 35.47 2qub s LYS 562 CO 0.39 0.18 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.95 2qub s LEU 563 N -0.87 2.90 -0.11 5.43 1.43 0.59 -0.86 118.68 127.19 2qub s LEU 563 Ca 0.00 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2qub s LEU 563 Cb -0.07 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.53 2qub s LEU 563 CO 0.01 0.22 -0.11 -0.69 0.23 0.00 0.00 176.35 176.01 2qub s VAL 564 N 0.03 1.19 -0.18 -1.59 1.01 -0.34 -1.06 120.40 119.46 2qub s VAL 564 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2qub s VAL 564 Cb -0.14 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.11 2qub s VAL 564 CO 0.04 0.39 -0.18 -0.36 0.00 0.00 0.00 175.10 174.99 2qub s PHE 565 N 1.35 2.80 -0.12 5.22 0.08 -0.07 -1.20 117.98 126.04 2qub s PHE 565 Ca -0.01 -1.51 0.01 0.00 0.12 0.00 0.00 56.93 55.53 2qub s PHE 565 Cb -0.14 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 2qub s PHE 565 CO -0.05 -0.75 -0.12 0.42 -0.10 0.00 0.00 175.22 174.61 2qub s ILE 566 N 1.29 1.36 -1.01 0.64 1.01 -0.43 -0.82 121.20 123.24 2qub s ILE 566 Ca 0.04 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 2qub s ILE 566 Cb -0.13 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.05 2qub s ILE 566 CO -0.11 0.42 0.85 0.61 0.00 0.00 0.00 174.94 176.71 2qub n GLY 567 N 4.60 -0.23 3.76 6.18 0.00 -0.68 -2.70 105.19 116.12 2qub n GLY 567 Ca -0.17 0.01 -0.23 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 -3.29 4.12 0.35 2.61 -4.23 -1.26 -2.15 115.64 111.79 2qub s THR 568 Ca 0.08 -1.49 -0.27 0.00 -1.18 0.00 0.00 61.69 58.84 2qub s THR 568 Cb -0.04 -3.19 -0.12 0.00 1.34 0.00 0.00 72.50 70.50 2qub s THR 568 CO 0.60 -0.29 1.11 -0.62 -0.54 0.00 0.00 174.62 174.88 2qub n GLU 569 N -0.87 1.63 0.00 3.99 1.02 -1.26 -4.83 120.64 120.32 2qub n GLU 569 Ca -0.08 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 2qub n GLU 569 Cb 0.57 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 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 1.04 2.59 0.03 0.62 0.00 -1.26 -4.83 105.19 103.39 2qub n GLY 570 Ca 0.08 -1.59 0.05 0.00 0.00 0.00 0.00 46.02 44.56 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 1.28 2.44 -1.77 4.61 0.00 -1.26 -4.84 120.51 120.98 2qub n ALA 571 Ca 0.00 -0.73 -0.40 0.00 0.00 0.00 0.00 53.44 52.31 2qub n ALA 571 Cb 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 -4.73 6.42 0.00 0.00 0.15 -1.26 -4.93 113.70 109.35 2qub s SER 572 Ca -0.08 2.74 0.21 0.00 0.70 0.00 0.00 55.95 59.51 2qub s SER 572 Cb 0.12 -2.65 0.54 0.00 -1.71 0.00 0.00 66.02 62.32 2qub s SER 572 CO 0.87 -0.79 1.46 0.61 1.20 0.00 0.00 173.24 176.59 2qub n GLY 573 N 0.67 1.75 3.31 9.45 0.00 -1.26 -4.83 105.19 114.28 2qub n GLY 573 Ca 0.02 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.19 5.43 0.65 1.61 3.84 -1.26 -4.86 114.94 119.16 2qub s ASN 574 Ca 0.41 -1.08 0.39 0.00 0.21 0.00 0.00 52.86 52.78 2qub s ASN 574 Cb 0.22 -1.92 2.14 0.00 -0.55 0.00 0.00 41.25 41.14 2qub s ASN 574 CO 0.29 -0.34 2.24 -0.29 -2.79 0.00 0.00 177.10 176.22 2qub h ILE 575 N 6.07 0.10 0.00 -5.21 6.09 -1.99 -0.89 117.51 121.68 2qub h ILE 575 Ca -0.24 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.22 2qub h ILE 575 Cb 1.09 0.91 -0.00 0.00 0.47 0.00 0.00 36.82 39.29 2qub h ILE 575 CO 0.62 0.00 -0.11 -0.09 -3.07 0.00 0.00 178.15 175.50 2qub h ARG 576 N 0.00 0.00 0.00 2.19 2.43 -1.96 -1.70 114.38 115.34 2qub h ARG 576 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2qub h ARG 576 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2qub h ARG 576 CO -0.00 0.11 0.00 -0.25 -1.51 0.00 0.00 179.97 178.32 2qub n ASP 577 N -3.56 0.75 -0.59 -3.80 8.00 -0.34 -2.68 116.55 114.33 2qub n ASP 577 Ca -0.02 0.65 0.10 0.00 0.71 0.00 0.00 54.79 56.24 2qub n ASP 577 Cb 0.24 -0.82 0.03 0.00 -0.02 0.00 0.00 41.12 40.55 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 -2.30 0.00 -4.18 1.24 4.01 -0.64 -5.03 117.16 110.26 2qub n TYR 578 Ca 0.03 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.42 2qub n TYR 578 Cb 0.29 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.24 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 -2.06 3.51 -0.04 -0.72 0.00 -1.09 -1.33 121.76 120.02 2qub s ALA 579 Ca 0.19 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 2qub s ALA 579 Cb 0.17 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.67 2qub s ALA 579 CO 0.41 0.62 0.09 0.95 0.00 0.00 0.00 175.76 177.83 2qub s THR 580 N -0.98 -0.03 -0.21 0.00 -4.23 -0.47 -5.01 115.64 104.71 2qub s THR 580 Ca 0.16 0.10 -0.21 0.00 -1.18 0.00 0.00 61.69 60.55 2qub s THR 580 Cb -0.12 -0.15 -0.02 0.00 1.34 0.00 0.00 72.50 73.55 2qub s THR 580 CO 0.05 0.04 0.66 -1.58 -0.54 0.00 0.00 174.62 173.26 2qub s GLN 581 N 0.62 4.19 -0.32 3.99 2.00 -1.26 -1.09 119.66 127.78 2qub s GLN 581 Ca -0.05 0.66 0.02 0.00 -2.00 0.00 0.00 55.36 54.00 2qub s GLN 581 Cb -0.07 -3.60 0.08 0.00 0.80 0.00 0.00 33.01 30.22 2qub s GLN 581 CO -0.02 -0.32 0.01 -0.65 -0.50 0.00 0.00 175.29 173.81 2qub s GLN 582 N 2.18 1.89 5.96 1.67 -0.21 0.20 -5.00 119.66 126.35 2qub s GLN 582 Ca 0.29 -1.63 0.00 0.00 0.02 0.00 0.00 55.36 54.04 2qub s GLN 582 Cb -0.16 -3.14 0.00 0.00 1.00 0.00 0.00 33.01 30.71 2qub s GLN 582 CO 0.10 -0.80 0.00 0.09 -2.12 0.00 0.00 175.29 172.56 2qub n ASN 583 N 4.39 0.00 -0.53 5.90 4.13 -1.26 -1.41 115.26 126.48 2qub n ASN 583 Ca -0.04 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.27 2qub n ASN 583 Cb 0.42 0.00 0.16 0.00 -1.54 0.00 0.00 39.78 38.82 2qub n ASN 583 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2qub n ASP 584 N 4.37 1.55 -4.47 6.41 8.00 -1.26 -4.89 116.55 126.26 2qub n ASP 584 Ca 0.00 -1.96 -0.30 0.00 0.71 0.00 0.00 54.79 53.24 2qub n ASP 584 Cb 0.00 -0.18 -0.12 0.00 -0.02 0.00 0.00 41.12 40.80 2qub n ASP 584 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2qub s ASP 585 N -1.07 3.81 -0.21 -2.24 1.01 -0.50 -1.71 116.67 115.76 2qub s ASP 585 Ca 0.21 -0.54 -0.06 0.00 0.71 0.00 0.00 52.55 52.87 2qub s ASP 585 Cb 0.11 -0.53 -0.03 0.00 1.01 0.00 0.00 42.92 43.48 2qub s ASP 585 CO 0.15 0.20 0.04 -0.22 0.21 0.00 0.00 175.17 175.54 2qub s LEU 586 N -1.94 3.43 -0.24 1.23 2.96 -0.50 -0.63 118.68 123.00 2qub s LEU 586 Ca 0.17 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.87 2qub s LEU 586 Cb -0.10 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 2qub s LEU 586 CO 0.08 0.06 0.05 -0.69 -1.32 0.00 0.00 176.35 174.53 2qub s VAL 587 N 1.05 4.17 -0.41 1.68 1.01 -0.25 0.17 120.40 127.83 2qub s VAL 587 Ca 0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 2qub s VAL 587 Cb -0.14 -2.94 0.06 0.00 0.00 0.00 0.00 36.38 33.36 2qub s VAL 587 CO 0.02 0.36 0.25 -0.76 0.00 0.00 0.00 175.10 174.97 2qub s LEU 588 N 1.52 5.04 -0.19 3.92 1.43 -0.44 -1.36 118.68 128.60 2qub s LEU 588 Ca 0.06 -1.33 -0.07 0.00 -1.03 0.00 0.00 54.13 51.75 2qub s LEU 588 Cb -0.15 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 2qub s LEU 588 CO 0.03 -0.50 0.07 0.00 0.23 0.00 0.00 176.35 176.17 2qub s ALA 589 N 1.48 3.39 -0.53 4.21 0.00 -0.44 -1.35 121.76 128.52 2qub s ALA 589 Ca 0.03 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.26 2qub s ALA 589 Cb -0.22 -1.95 0.34 0.00 0.00 0.00 0.00 23.12 21.30 2qub s ALA 589 CO 0.04 0.10 0.91 1.19 0.00 0.00 0.00 175.76 178.00 2qub n PHE 590 N 3.69 3.22 0.00 0.00 3.72 0.11 -4.80 117.46 123.40 2qub n PHE 590 Ca -0.16 -3.93 0.00 0.00 -0.05 0.00 0.00 57.45 53.30 2qub n PHE 590 Cb 0.52 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.14 1.73 0.19 1.37 0.00 -1.26 -2.02 105.19 105.06 2qub n GLY 591 Ca 0.30 0.22 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 0.45 0.00 0.00 0.00 173.32 173.77 2qub h HIS 592 N 0.00 0.00 -2.11 1.61 3.86 -1.97 -3.44 115.15 113.09 2qub h HIS 592 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 2qub h HIS 592 Cb 0.00 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.39 2qub h HIS 592 CO 0.00 0.00 -0.59 -1.12 0.86 0.00 0.00 177.93 177.08 2qub s SER 593 N -5.23 4.82 -0.06 2.45 0.01 -0.85 -4.66 113.70 110.18 2qub s SER 593 Ca 0.06 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 2qub s SER 593 Cb 0.09 -0.95 0.11 0.00 0.21 0.00 0.00 66.02 65.48 2qub s SER 593 CO 0.55 -0.09 0.97 0.00 0.41 0.00 0.00 173.24 175.09 2qub s GLN 594 N -3.76 0.68 -0.05 12.44 -2.07 -0.38 0.09 119.66 126.61 2qub s GLN 594 Ca 0.34 -0.24 0.02 0.00 -1.82 0.00 0.00 55.36 53.65 2qub s GLN 594 Cb -0.06 0.31 0.02 0.00 -1.09 0.00 0.00 33.01 32.19 2qub s GLN 594 CO 0.22 -0.30 -0.09 0.54 -1.32 0.00 0.00 175.29 174.34 2qub s VAL 595 N -2.89 0.87 -0.28 3.63 0.11 -0.45 -1.11 120.40 120.27 2qub s VAL 595 Ca 0.06 -0.33 -0.11 0.00 -2.93 0.00 0.00 61.98 58.67 2qub s VAL 595 Cb -0.01 -0.82 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 2qub s VAL 595 CO -0.08 0.29 0.18 -0.89 -3.33 0.00 0.00 175.10 171.28 2qub s THR 596 N 0.72 5.24 -0.44 5.04 2.01 -0.32 -1.32 115.64 126.56 2qub s THR 596 Ca -0.13 0.15 -0.18 0.00 0.31 0.00 0.00 61.69 61.84 2qub s THR 596 Cb -0.15 -3.49 0.03 0.00 0.01 0.00 0.00 72.50 68.90 2qub s THR 596 CO 0.02 0.26 0.52 -0.76 -0.69 0.00 0.00 174.62 173.97 2qub s LEU 597 N 1.72 4.83 0.11 4.42 1.02 0.13 -0.20 118.68 130.70 2qub s LEU 597 Ca 0.07 -0.67 -0.31 0.00 0.02 0.00 0.00 54.13 53.24 2qub s LEU 597 Cb -0.16 -2.47 -0.07 0.00 0.02 0.00 0.00 46.19 43.51 2qub s LEU 597 CO 0.10 -0.69 1.34 -0.63 0.02 0.00 0.00 176.35 176.50 2qub s ILE 598 N 2.36 3.47 -1.11 -0.59 1.09 -0.50 -1.42 121.20 124.51 2qub s ILE 598 Ca 0.15 1.06 0.00 0.00 -1.10 0.00 0.00 60.65 60.76 2qub s ILE 598 Cb -0.17 -3.68 0.00 0.00 -1.06 0.00 0.00 42.46 37.55 2qub s ILE 598 CO 0.14 0.09 0.00 0.61 -0.10 0.00 0.00 174.94 175.68 2qub n GLY 599 N 3.36 -0.16 3.25 6.18 0.00 -0.69 -4.57 105.19 112.55 2qub n GLY 599 Ca 0.11 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.65 1.64 0.10 1.61 1.01 -0.78 -4.97 120.40 116.37 2qub s VAL 600 Ca 0.00 -1.22 0.09 0.00 0.00 0.00 0.00 61.98 60.85 2qub s VAL 600 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 2qub s VAL 600 CO 0.00 0.17 -0.24 -0.94 0.00 0.00 0.00 175.10 174.09 2qub s SER 601 N -1.24 2.89 0.46 3.32 1.04 -1.26 -3.08 113.70 115.83 2qub s SER 601 Ca 0.07 -0.68 0.12 0.00 0.48 0.00 0.00 55.95 55.94 2qub s SER 601 Cb -0.09 -0.19 1.07 0.00 0.10 0.00 0.00 66.02 66.91 2qub s SER 601 CO 0.02 0.14 2.09 0.25 0.98 0.00 0.00 173.24 176.72 2qub h LEU 602 N 4.19 0.24 0.00 2.42 5.85 -1.97 -1.74 115.31 124.29 2qub h LEU 602 Ca -0.48 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2qub h LEU 602 Cb 1.17 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2qub h LEU 602 CO 0.40 0.17 0.00 -0.90 -0.34 0.00 0.00 178.44 177.77 2qub n ASP 603 N -4.50 0.00 -0.75 1.25 5.68 -1.26 -2.19 116.55 114.78 2qub n ASP 603 Ca 0.01 -0.33 0.08 0.00 -0.50 0.00 0.00 54.79 54.06 2qub n ASP 603 Cb 0.12 -0.10 0.12 0.00 -1.14 0.00 0.00 41.12 40.11 2qub n ASP 603 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2qub n HIS 604 N -1.10 0.21 -3.79 2.11 8.25 -0.66 -4.92 115.22 115.32 2qub n HIS 604 Ca 0.11 -0.15 -0.36 0.00 -0.26 0.00 0.00 57.72 57.06 2qub n HIS 604 Cb 0.09 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.27 4.64 0.56 1.59 1.01 -0.93 -4.86 121.20 121.95 2qub s ILE 605 Ca 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 2qub s ILE 605 Cb 0.15 -3.16 0.03 0.00 0.01 0.00 0.00 42.46 39.49 2qub s ILE 605 CO 0.22 0.35 0.82 -0.94 0.00 0.00 0.00 174.94 175.38 2qub s SER 606 N 1.31 5.36 0.21 3.58 1.04 -1.26 -5.00 113.70 118.94 2qub s SER 606 Ca 0.05 0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.64 2qub s SER 606 Cb -0.15 -1.19 0.16 0.00 0.10 0.00 0.00 66.02 64.94 2qub s SER 606 CO 0.04 -1.12 1.87 0.71 0.98 0.00 0.00 173.24 175.72 2qub h THR 607 N -0.02 1.21 0.00 2.02 1.35 -1.99 -2.13 112.91 113.34 2qub h THR 607 Ca -0.44 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2qub h THR 607 Cb 1.28 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2qub h THR 607 CO 0.56 0.21 0.00 -0.90 -0.25 0.00 0.00 175.52 175.14 2qub n ASP 608 N -4.53 0.00 -0.04 5.36 5.75 -1.26 -2.27 116.55 119.56 2qub n ASP 608 Ca 0.07 0.47 0.14 0.00 -0.01 0.00 0.00 54.79 55.47 2qub n ASP 608 Cb 0.03 -0.48 0.61 0.00 -1.03 0.00 0.00 41.12 40.25 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 -1.48 0.33 -4.16 0.11 6.02 -0.80 -4.83 117.38 112.57 2qub n GLN 609 Ca 0.03 -0.07 -0.19 0.00 -0.01 0.00 0.00 57.00 56.75 2qub n GLN 609 Cb 0.13 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 29.73 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 -2.72 0.50 -0.17 5.09 1.01 -0.96 -0.30 120.40 122.85 2qub s VAL 610 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2qub s VAL 610 Cb 0.19 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 36.06 2qub s VAL 610 CO 0.51 0.21 -0.15 -0.69 0.00 0.00 0.00 175.10 174.98 2qub s VAL 611 N 0.76 2.62 -0.34 2.92 1.01 -0.22 -4.99 120.40 122.16 2qub s VAL 611 Ca -0.10 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 2qub s VAL 611 Cb -0.13 -2.12 0.07 0.00 0.00 0.00 0.00 36.38 34.21 2qub s VAL 611 CO 0.00 0.51 0.08 -0.76 0.00 0.00 0.00 175.10 174.93 2qub s LEU 612 N 0.96 4.41 0.00 3.92 1.43 -1.26 -0.89 118.68 127.25 2qub s LEU 612 Ca -0.03 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 51.54 2qub s LEU 612 Cb -0.15 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2qub s LEU 612 CO -0.03 -0.36 0.37 0.00 0.23 0.00 0.00 176.35 176.56