#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 3.78 -0.75 0.66 4.02 -1.26 -4.78 115.29 116.96 2qub s HIS 0 Ca 0.00 1.76 0.07 0.00 1.02 0.00 0.00 55.06 57.91 2qub s HIS 0 Cb 0.00 -3.11 0.03 0.00 -1.02 0.00 0.00 32.58 28.49 2qub s HIS 0 CO 0.00 0.01 0.64 -1.33 1.02 0.00 0.00 174.74 175.08 2qub n MET 1 N 2.50 0.74 0.00 1.40 2.00 -1.26 -4.96 117.12 117.55 2qub n MET 1 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 57.70 56.96 2qub n MET 1 Cb 0.48 -1.07 0.00 0.00 0.00 0.00 0.00 33.22 32.63 2qub n MET 1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2qub n GLY 2 N 0.50 1.26 0.27 3.03 0.00 -0.53 -4.36 105.19 105.35 2qub n GLY 2 Ca 0.03 -1.57 0.05 0.00 0.00 0.00 0.00 46.02 44.53 2qub n GLY 2 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qub h ILE 3 N 0.00 1.08 -0.51 -0.61 2.10 -1.72 -1.83 117.51 116.02 2qub h ILE 3 Ca 0.00 -0.28 -0.01 0.00 1.08 0.00 0.00 64.86 65.65 2qub h ILE 3 Cb 0.00 0.94 -0.00 0.00 -1.09 0.00 0.00 36.82 36.67 2qub h ILE 3 CO 0.00 0.10 0.01 0.49 -1.08 0.00 0.00 178.15 177.67 2qub n PHE 4 N -4.44 1.84 -1.70 2.19 3.72 -1.26 -4.16 117.46 113.65 2qub n PHE 4 Ca -0.01 -0.65 -0.42 0.00 -0.05 0.00 0.00 57.45 56.33 2qub n PHE 4 Cb 0.14 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 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 0.52 2.60 -3.82 4.37 2.88 -0.69 -4.76 113.62 114.73 2qub n SER 5 Ca 0.25 1.16 -0.20 0.00 -1.33 0.00 0.00 58.87 58.74 2qub n SER 5 Cb 1.09 -1.49 -0.17 0.00 -0.75 0.00 0.00 64.21 62.90 2qub n SER 5 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2qub s TYR 6 N -1.15 0.58 0.00 0.66 5.04 -1.26 -5.05 117.35 116.17 2qub s TYR 6 Ca 0.58 -0.12 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 2qub s TYR 6 Cb -0.54 -0.65 0.00 0.00 0.35 0.00 0.00 41.96 41.12 2qub s TYR 6 CO 0.60 -0.23 0.00 1.63 -1.34 0.00 0.00 175.55 176.21 2qub n LYS 7 N 4.56 0.00 -0.72 4.97 5.02 -1.26 -2.05 118.16 128.67 2qub n LYS 7 Ca -0.17 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.14 2qub n LYS 7 Cb 0.50 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.80 2qub n LYS 7 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2qub n ASP 8 N 2.04 4.21 -4.77 4.39 5.75 -1.26 -5.00 116.55 121.90 2qub n ASP 8 Ca 0.00 -3.18 -0.35 0.00 -0.01 0.00 0.00 54.79 51.25 2qub n ASP 8 Cb 0.00 -0.63 -0.00 0.00 -1.03 0.00 0.00 41.12 39.45 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 -2.93 3.81 0.85 -2.12 1.43 -0.87 -5.03 118.68 113.82 2qub s LEU 9 Ca 0.48 2.19 -0.12 0.00 -1.03 0.00 0.00 54.13 55.65 2qub s LEU 9 Cb 0.39 -4.51 0.10 0.00 0.03 0.00 0.00 46.19 42.20 2qub s LEU 9 CO 0.10 -1.12 1.11 1.51 0.23 0.00 0.00 176.35 178.18 2qub s ASP 10 N -1.70 4.03 0.21 2.29 1.47 -1.26 -4.76 116.67 116.95 2qub s ASP 10 Ca 0.70 1.19 -0.10 0.00 1.18 0.00 0.00 52.55 55.52 2qub s ASP 10 Cb -0.24 -1.86 0.23 0.00 -0.34 0.00 0.00 42.92 40.71 2qub s ASP 10 CO 0.28 -2.25 1.80 -0.08 0.68 0.00 0.00 175.17 175.60 2qub h GLU 11 N -1.28 0.62 -0.60 2.11 4.81 -1.96 -1.71 114.58 116.57 2qub h GLU 11 Ca -0.49 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.66 2qub h GLU 11 Cb 1.29 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 2qub h GLU 11 CO 0.60 0.41 0.18 -0.91 -0.73 0.00 0.00 179.01 178.56 2qub h ASN 12 N 0.64 0.85 -0.22 1.04 2.35 -1.93 -1.45 115.58 116.86 2qub h ASN 12 Ca 0.29 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.75 2qub h ASN 12 Cb 0.19 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2qub h ASN 12 CO -0.19 0.81 -0.38 0.00 -1.65 0.00 0.00 177.43 176.03 2qub h ALA 13 N 1.30 0.73 -0.81 -0.83 0.00 -1.75 -2.17 119.26 115.73 2qub h ALA 13 Ca 0.20 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2qub h ALA 13 Cb 0.27 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2qub h ALA 13 CO -0.01 0.66 0.34 0.77 0.00 0.00 0.00 179.25 181.01 2qub h SER 14 N 0.62 1.11 -0.49 0.00 0.02 -1.09 -1.34 113.55 112.37 2qub h SER 14 Ca 0.06 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 2qub h SER 14 Cb 0.92 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 2qub h SER 14 CO 0.08 0.97 0.09 0.11 -1.14 0.00 0.00 176.83 176.94 2qub h LYS 15 N 1.17 0.81 -0.54 3.45 1.57 -1.14 -0.92 116.57 120.97 2qub h LYS 15 Ca 0.27 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2qub h LYS 15 Cb 0.20 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2qub h LYS 15 CO -0.02 0.81 0.22 0.00 -0.57 0.00 0.00 179.45 179.88 2qub h ALA 16 N 0.97 0.70 -0.37 3.86 0.00 -1.27 -1.37 119.26 121.79 2qub h ALA 16 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qub h ALA 16 Cb 0.38 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2qub h ALA 16 CO 0.01 0.31 0.24 1.25 0.00 0.00 0.00 179.25 181.06 2qub h LEU 17 N 0.74 0.42 -0.42 0.00 5.85 -1.13 -1.77 115.31 118.99 2qub h LEU 17 Ca 0.18 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.89 2qub h LEU 17 Cb 0.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2qub h LEU 17 CO -0.02 0.31 0.27 0.15 -0.34 0.00 0.00 178.44 178.82 2qub h PHE 18 N 0.49 0.51 -0.31 1.25 3.57 -0.95 -0.18 116.94 121.32 2qub h PHE 18 Ca 0.13 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.68 2qub h PHE 18 Cb -0.05 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 2qub h PHE 18 CO -0.05 0.31 0.10 1.03 -2.23 0.00 0.00 178.31 177.47 2qub h SER 19 N 0.55 0.09 -0.27 0.41 0.87 -1.08 -0.69 113.55 113.42 2qub h SER 19 Ca 0.16 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.78 2qub h SER 19 Cb -0.03 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2qub h SER 19 CO -0.05 0.09 0.12 0.44 -0.53 0.00 0.00 176.83 176.90 2qub h ASP 20 N 0.23 0.17 -0.38 6.23 3.32 -1.04 -2.19 116.42 122.75 2qub h ASP 20 Ca 0.14 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2qub h ASP 20 Cb 0.12 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2qub h ASP 20 CO -0.16 0.13 0.20 0.00 -1.72 0.00 0.00 179.24 177.70 2qub h ALA 21 N 1.15 0.48 -0.56 3.45 0.00 -0.66 -1.84 119.26 121.28 2qub h ALA 21 Ca 0.11 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2qub h ALA 21 Cb 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2qub h ALA 21 CO -0.09 0.02 0.02 1.25 0.00 0.00 0.00 179.25 180.44 2qub h LEU 22 N 0.48 0.92 -0.19 0.00 5.85 -1.11 -0.20 115.31 121.06 2qub h LEU 22 Ca 0.13 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2qub h LEU 22 Cb 0.07 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2qub h LEU 22 CO -0.02 0.97 0.11 0.00 -0.34 0.00 0.00 178.44 179.16 2qub h ALA 23 N 1.13 0.24 -0.02 1.25 0.00 -1.14 -1.33 119.26 119.39 2qub h ALA 23 Ca 0.17 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2qub h ALA 23 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2qub h ALA 23 CO 0.02 -0.24 -0.77 -0.84 0.00 0.00 0.00 179.25 177.42 2qub h ILE 24 N 0.22 1.47 -0.52 0.00 3.07 -1.11 -1.93 117.51 118.71 2qub h ILE 24 Ca 0.07 -2.41 -0.01 0.00 1.55 0.00 0.00 64.86 64.06 2qub h ILE 24 Cb 0.04 2.31 -0.02 0.00 -0.27 0.00 0.00 36.82 38.87 2qub h ILE 24 CO -0.01 0.70 0.29 -1.28 -1.05 0.00 0.00 178.15 176.80 2qub h SER 25 N 0.12 0.65 -0.50 2.16 0.87 -0.97 -2.87 113.55 113.00 2qub h SER 25 Ca -0.03 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.40 2qub h SER 25 Cb 1.36 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 2qub h SER 25 CO 0.12 0.54 0.11 0.74 -0.53 0.00 0.00 176.83 177.81 2qub h THR 26 N 0.70 1.24 -0.86 2.23 2.02 -1.13 -3.10 112.91 114.01 2qub h THR 26 Ca 0.18 -0.87 0.13 0.00 0.77 0.00 0.00 66.41 66.62 2qub h THR 26 Cb 0.03 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 2qub h THR 26 CO -0.03 0.31 0.56 0.22 0.37 0.00 0.00 175.52 176.95 2qub h TYR 27 N 0.69 0.79 -0.05 3.16 3.20 -1.14 -2.20 116.97 121.42 2qub h TYR 27 Ca 0.16 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.06 2qub h TYR 27 Cb 0.35 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 2qub h TYR 27 CO 0.02 0.32 0.10 0.00 -1.64 0.00 0.00 178.16 176.96 2qub h ALA 28 N 1.60 1.36 -0.00 1.82 0.00 -1.43 0.04 119.26 122.64 2qub h ALA 28 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2qub h ALA 28 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2qub h ALA 28 CO -0.18 -0.13 -0.28 0.66 0.00 0.00 0.00 179.25 179.32 2qub n TYR 29 N -3.38 0.00 -4.12 0.00 4.01 -0.83 -4.79 117.16 108.05 2qub n TYR 29 Ca -0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.39 2qub n TYR 29 Cb 0.18 -0.23 -0.01 0.00 -0.31 0.00 0.00 39.34 38.97 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 -1.14 -1.86 -2.21 -0.72 8.25 -0.00 -1.71 115.22 115.83 2qub n HIS 30 Ca 0.10 0.82 -0.19 0.00 -0.26 0.00 0.00 57.72 58.19 2qub n HIS 30 Cb 0.33 -3.30 -0.02 0.00 1.12 0.00 0.00 29.99 28.11 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 -2.74 -5.39 0.20 0.41 3.02 -1.26 -4.51 115.26 104.99 2qub n ASN 31 Ca 0.01 0.07 0.09 0.00 -0.03 0.00 0.00 54.58 54.72 2qub n ASN 31 Cb 0.53 -4.46 0.62 0.00 -0.61 0.00 0.00 39.78 35.85 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 0.99 -0.55 2.41 6.09 -1.68 -2.14 117.51 122.63 2qub h ILE 32 Ca -0.43 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 2qub h ILE 32 Cb 1.31 0.91 0.00 0.00 0.47 0.00 0.00 36.82 39.51 2qub h ILE 32 CO 0.53 0.01 0.00 -0.90 -3.07 0.00 0.00 178.15 174.72 2qub n ASP 33 N -4.52 4.46 -0.13 2.19 5.75 -1.26 -4.15 116.55 118.88 2qub n ASP 33 Ca -0.01 -2.50 -0.04 0.00 -0.01 0.00 0.00 54.79 52.23 2qub n ASP 33 Cb 0.13 -0.57 0.04 0.00 -1.03 0.00 0.00 41.12 39.69 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 3.56 0.11 -0.68 -1.12 -0.00 -1.52 -0.30 115.58 115.62 2qub h ASN 34 Ca 0.00 0.06 -0.06 0.00 -0.00 0.00 0.00 56.30 56.30 2qub h ASN 34 Cb 1.43 0.06 -0.03 0.00 -0.00 0.00 0.00 38.32 39.77 2qub h ASN 34 CO 0.26 0.10 0.21 1.23 -0.00 0.00 0.00 177.43 179.23 2qub h GLY 35 N 0.28 1.15 1.00 1.57 0.00 -1.43 -2.03 103.07 103.61 2qub h GLY 35 Ca 0.20 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 2qub h GLY 35 CO -0.23 0.64 0.34 -2.75 0.00 0.00 0.00 176.54 174.54 2qub h PHE 36 N 1.00 0.88 0.14 5.60 3.57 -1.64 0.88 116.94 127.37 2qub h PHE 36 Ca 0.22 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.70 2qub h PHE 36 Cb 0.30 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2qub h PHE 36 CO 0.02 0.64 -0.18 0.22 -2.23 0.00 0.00 178.31 176.78 2qub h ASP 37 N 0.86 -0.50 0.02 0.41 1.82 -0.83 0.24 116.42 118.46 2qub h ASP 37 Ca 0.22 0.05 -0.00 0.00 -0.39 0.00 0.00 57.03 56.91 2qub h ASP 37 Cb 0.06 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.25 2qub h ASP 37 CO -0.03 -0.27 -0.01 -0.08 -1.61 0.00 0.00 179.24 177.24 2qub h GLU 38 N -0.37 -0.03 0.01 0.28 4.81 -1.16 -2.47 114.58 115.65 2qub h GLU 38 Ca 0.01 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2qub h GLU 38 Cb 0.37 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 2qub h GLU 38 CO -0.08 -0.01 -0.15 0.78 -0.73 0.00 0.00 179.01 178.82 2qub h GLY 39 N -0.04 -0.21 0.35 1.92 0.00 -0.62 -1.63 103.07 102.83 2qub h GLY 39 Ca -0.00 0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.58 2qub h GLY 39 CO 0.01 -0.15 -0.03 -1.82 0.00 0.00 0.00 176.54 174.55 2qub h TYR 40 N -0.26 -0.08 -0.33 5.60 3.20 -0.50 0.13 116.97 124.73 2qub h TYR 40 Ca 0.05 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 2qub h TYR 40 Cb 0.32 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 2qub h TYR 40 CO -0.20 -0.10 -0.10 0.45 -1.64 0.00 0.00 178.16 176.57 2qub h HIS 41 N 0.07 0.59 0.20 -3.82 3.86 -1.23 -0.26 115.15 114.57 2qub h HIS 41 Ca 0.18 -0.09 -0.27 0.00 -1.16 0.00 0.00 60.37 59.03 2qub h HIS 41 Cb 0.27 -0.16 0.03 0.00 1.06 0.00 0.00 27.41 28.60 2qub h HIS 41 CO -0.28 0.64 -1.22 0.37 0.86 0.00 0.00 177.93 178.30 2qub h GLN 42 N 0.52 0.42 0.00 2.45 4.15 -0.79 0.21 115.11 122.06 2qub h GLN 42 Ca 0.10 -0.73 0.00 0.00 0.77 0.00 0.00 58.65 58.79 2qub h GLN 42 Cb 0.48 0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.44 2qub h GLN 42 CO 0.03 1.35 0.00 0.25 -1.93 0.00 0.00 178.83 178.52 2qub n THR 43 N -3.89 0.00 -4.21 2.39 -2.24 -0.01 -4.68 114.28 101.64 2qub n THR 43 Ca -0.16 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2qub n THR 43 Cb 0.98 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.24 2qub n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qub n GLY 44 N 0.52 -0.66 0.21 3.38 0.00 -0.11 -3.88 105.19 104.64 2qub n GLY 44 Ca 0.00 -1.13 0.04 0.00 0.00 0.00 0.00 46.02 44.92 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 -4.17 117.46 120.99 2qub n PHE 45 Ca 0.00 -0.42 0.00 0.00 -0.76 0.00 0.00 57.45 56.27 2qub n PHE 45 Cb 0.00 -0.08 0.00 0.00 0.35 0.00 0.00 39.48 39.75 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 -0.57 1.31 0.32 7.13 0.00 -1.26 -4.67 105.19 107.45 2qub n GLY 46 Ca 0.06 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.95 -1.74 115.31 114.94 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 0.01 -0.01 0.61 0.09 0.00 0.00 178.44 179.14 2qub n GLY 48 N -1.00 0.08 0.30 0.83 0.00 -1.25 -4.48 105.19 99.68 2qub n GLY 48 Ca -0.03 -0.47 0.08 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 2.56 0.44 -0.72 0.99 5.85 -1.47 -1.22 115.31 121.74 2qub h LEU 49 Ca 0.00 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.91 2qub h LEU 49 Cb 0.55 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.56 2qub h LEU 49 CO 0.00 0.15 0.38 -0.65 -0.34 0.00 0.00 178.44 177.98 2qub h PRO 50 N 0.54 0.64 -0.54 5.25 0.11 -1.82 -0.74 132.00 135.44 2qub h PRO 50 Ca 0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.52 2qub h PRO 50 Cb 0.73 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 2qub h PRO 50 CO -0.40 0.42 0.26 -0.07 -0.21 0.00 0.00 178.00 178.00 2qub h LEU 51 N 0.66 0.71 -0.77 2.35 3.38 -1.58 -2.64 115.31 117.41 2qub h LEU 51 Ca 0.34 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.24 2qub h LEU 51 Cb 0.31 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 2qub h LEU 51 CO -0.24 0.64 0.47 0.74 0.09 0.00 0.00 178.44 180.14 2qub h THR 52 N 0.72 1.02 -0.44 0.22 2.02 -0.67 -1.88 112.91 113.90 2qub h THR 52 Ca 0.18 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 66.95 2qub h THR 52 Cb 0.12 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 2qub h THR 52 CO -0.02 0.16 -0.20 -0.07 0.37 0.00 0.00 175.52 175.75 2qub h LEU 53 N 0.86 0.90 -0.29 2.58 3.38 -0.95 -0.79 115.31 121.00 2qub h LEU 53 Ca 0.34 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2qub h LEU 53 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2qub h LEU 53 CO -0.17 1.08 0.01 0.40 0.09 0.00 0.00 178.44 179.84 2qub h ILE 54 N 0.77 1.25 -0.50 1.22 2.04 -1.18 -2.39 117.51 118.73 2qub h ILE 54 Ca 0.11 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 2qub h ILE 54 Cb 0.75 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2qub h ILE 54 CO 0.06 0.29 0.29 0.74 0.00 0.00 0.00 178.15 179.53 2qub h THR 55 N 0.29 1.15 -0.15 -0.27 2.02 -1.18 0.04 112.91 114.82 2qub h THR 55 Ca 0.08 -0.36 0.01 0.00 0.77 0.00 0.00 66.41 66.91 2qub h THR 55 Cb 0.41 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2qub h THR 55 CO 0.01 0.16 0.10 0.00 0.37 0.00 0.00 175.52 176.16 2qub h ALA 56 N 1.62 1.96 0.14 6.16 0.00 -0.69 0.97 119.26 129.42 2qub h ALA 56 Ca 0.18 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.76 2qub h ALA 56 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qub h ALA 56 CO -0.03 0.02 -1.65 -0.07 0.00 0.00 0.00 179.25 177.52 2qub h LEU 57 N 0.14 0.46 -1.25 0.00 3.38 -0.56 -1.59 115.31 115.89 2qub h LEU 57 Ca 0.06 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.14 2qub h LEU 57 Cb 0.06 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2qub h LEU 57 CO -0.01 1.73 0.00 2.30 0.09 0.00 0.00 178.44 182.55 2qub n ILE 58 N -3.74 0.17 -4.86 1.22 -5.35 -0.46 -1.71 119.36 104.64 2qub n ILE 58 Ca -0.27 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.69 2qub n ILE 58 Cb 0.98 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.89 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 -0.09 1.90 0.00 3.28 0.00 0.33 -4.37 105.19 106.24 2qub n GLY 59 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2qub n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qub n SER 60 N -1.26 0.00 0.03 1.61 3.41 -0.38 -4.74 113.62 112.28 2qub n SER 60 Ca 0.00 -0.49 0.10 0.00 -0.26 0.00 0.00 58.87 58.23 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 0.65 0.42 6.66 -2.24 -1.26 -3.62 114.28 114.89 2qub n THR 61 Ca 0.00 0.13 0.05 0.00 -2.27 0.00 0.00 64.05 61.96 2qub n THR 61 Cb 0.00 -0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 67.32 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 -1.69 3.11 -3.82 -0.78 6.02 -1.26 -4.26 117.38 114.70 2qub n GLN 62 Ca 0.04 -0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 56.92 2qub n GLN 62 Cb 0.25 -1.03 -0.08 0.00 1.02 0.00 0.00 30.24 30.41 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 -2.16 0.02 -0.20 1.08 1.04 -1.24 -4.87 113.70 107.38 2qub s SER 63 Ca 0.03 -0.41 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 2qub s SER 63 Cb 0.08 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 2qub s SER 63 CO 0.43 -0.63 -0.04 -1.58 0.98 0.00 0.00 173.24 172.40 2qub s GLN 64 N -2.99 3.49 0.00 4.02 0.74 -1.26 -1.25 119.66 122.41 2qub s GLN 64 Ca -0.02 -0.59 0.00 0.00 0.05 0.00 0.00 55.36 54.80 2qub s GLN 64 Cb 0.01 -2.97 0.00 0.00 1.10 0.00 0.00 33.01 31.14 2qub s GLN 64 CO -0.06 -0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.06 2qub n GLY 65 N 4.32 -0.92 0.24 2.59 0.00 -1.26 -1.31 105.19 108.84 2qub n GLY 65 Ca -0.18 -1.66 0.10 0.00 0.00 0.00 0.00 46.02 44.29 2qub n GLY 65 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qub h GLY 66 N 0.00 0.00 -4.39 -0.02 0.00 -0.97 -3.44 103.07 94.26 2qub h GLY 66 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2qub h GLY 66 CO 0.00 0.00 0.41 -2.27 0.00 0.00 0.00 176.54 174.68 2qub s LEU 67 N -7.37 4.39 0.63 3.11 2.96 -0.70 -4.79 118.68 116.92 2qub s LEU 67 Ca -0.02 1.77 -0.08 0.00 -0.22 0.00 0.00 54.13 55.57 2qub s LEU 67 Cb 0.13 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.25 2qub s LEU 67 CO 0.62 -0.29 0.98 -2.16 -1.32 0.00 0.00 176.35 174.18 2qub s PRO 68 N 0.88 2.93 0.00 0.98 0.04 -1.26 -4.65 135.00 133.93 2qub s PRO 68 Ca 0.53 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2qub s PRO 68 Cb -0.23 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2qub s PRO 68 CO 0.29 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2qub n GLY 69 N -2.74 0.72 3.59 0.56 0.00 -1.26 -5.04 105.19 101.02 2qub n GLY 69 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 4.18 0.50 0.99 1.43 -1.26 -4.95 118.68 119.57 2qub s LEU 70 Ca 0.00 0.31 0.24 0.00 -1.03 0.00 0.00 54.13 53.65 2qub s LEU 70 Cb 0.00 -2.72 1.33 0.00 0.03 0.00 0.00 46.19 44.83 2qub s LEU 70 CO 0.00 -0.45 2.04 1.55 0.23 0.00 0.00 176.35 179.72 2qub h PRO 71 N 8.25 0.00 -0.00 1.29 0.13 -2.01 -1.96 132.00 137.70 2qub h PRO 71 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 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 0.14 -0.16 -2.67 -0.23 0.00 0.00 178.00 175.86 2qub n TRP 72 N -3.77 0.00 -2.29 1.56 2.14 -1.26 -4.84 117.44 108.97 2qub n TRP 72 Ca -0.02 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.22 2qub n TRP 72 Cb 0.25 -0.29 -0.01 0.00 -0.81 0.00 0.00 31.31 30.44 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 -2.75 6.03 0.72 -0.67 0.02 -0.74 -4.05 114.94 113.49 2qub s ASN 73 Ca 0.20 1.90 -0.11 0.00 -1.02 0.00 0.00 52.86 53.83 2qub s ASN 73 Cb 0.19 -2.55 0.02 0.00 0.02 0.00 0.00 41.25 38.93 2qub s ASN 73 CO 0.54 -1.00 1.08 -2.16 0.02 0.00 0.00 177.10 175.58 2qub s PRO 74 N -3.62 2.77 -1.13 -0.60 0.04 -1.26 -4.97 135.00 126.23 2qub s PRO 74 Ca 0.66 0.67 -0.20 0.00 0.04 0.00 0.00 61.00 62.17 2qub s PRO 74 Cb -0.17 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.45 2qub s PRO 74 CO 0.28 -1.15 1.53 0.34 0.04 0.00 0.00 177.00 178.05 2qub s ASP 75 N -4.07 6.66 0.52 6.66 -1.08 -1.26 -4.54 116.67 119.56 2qub s ASP 75 Ca 0.58 -1.93 0.31 0.00 -0.52 0.00 0.00 52.55 50.99 2qub s ASP 75 Cb -0.13 -2.55 1.28 0.00 -1.46 0.00 0.00 42.92 40.06 2qub s ASP 75 CO 0.54 -1.32 1.96 0.77 0.52 0.00 0.00 175.17 177.64 2qub h SER 76 N 8.79 0.00 -0.08 -0.34 4.64 -1.93 -2.54 113.55 122.09 2qub h SER 76 Ca 0.29 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.44 2qub h SER 76 Cb 0.95 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2qub h SER 76 CO 1.41 0.07 -0.56 -0.33 -0.87 0.00 0.00 176.83 176.55 2qub h GLU 77 N 0.00 0.67 -0.75 4.77 5.08 -1.88 -0.72 114.58 121.75 2qub h GLU 77 Ca -0.00 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 57.90 2qub h GLU 77 Cb 0.55 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2qub h GLU 77 CO 0.01 1.05 0.35 0.37 -1.00 0.00 0.00 179.01 179.79 2qub h GLN 78 N 0.51 1.09 -0.84 2.33 -0.00 -1.86 -1.58 115.11 114.76 2qub h GLN 78 Ca 0.01 -0.17 -0.01 0.00 -0.00 0.00 0.00 58.65 58.48 2qub h GLN 78 Cb 1.13 -0.19 -0.04 0.00 0.00 0.00 0.00 27.48 28.37 2qub h GLN 78 CO 0.11 0.86 0.49 0.00 0.00 0.00 0.00 178.83 180.29 2qub h ALA 79 N 1.18 1.28 -0.50 3.38 0.00 -1.28 0.06 119.26 123.38 2qub h ALA 79 Ca 0.26 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2qub h ALA 79 Cb 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2qub h ALA 79 CO -0.03 0.61 0.09 0.00 0.00 0.00 0.00 179.25 179.91 2qub h ALA 80 N 1.37 0.66 -0.60 0.00 0.00 -0.84 -1.76 119.26 118.10 2qub h ALA 80 Ca 0.30 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2qub h ALA 80 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2qub h ALA 80 CO -0.05 0.39 0.12 0.37 0.00 0.00 0.00 179.25 180.07 2qub h GLN 81 N 0.70 0.97 -0.41 0.00 4.15 -0.94 -2.47 115.11 117.11 2qub h GLN 81 Ca 0.15 -0.25 0.06 0.00 0.77 0.00 0.00 58.65 59.38 2qub h GLN 81 Cb 0.38 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.90 2qub h GLN 81 CO 0.01 0.90 0.11 1.49 -1.93 0.00 0.00 178.83 179.41 2qub h GLU 82 N 0.88 0.25 -0.06 1.69 4.81 -0.86 -1.26 114.58 120.03 2qub h GLU 82 Ca 0.18 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2qub h GLU 82 Cb 0.39 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2qub h GLU 82 CO 0.01 0.17 0.03 0.00 -0.73 0.00 0.00 179.01 178.49 2qub h ALA 83 N 1.29 0.07 -0.41 2.92 0.00 -1.09 -0.67 119.26 121.37 2qub h ALA 83 Ca 0.20 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2qub h ALA 83 Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2qub h ALA 83 CO -0.23 -0.44 -0.20 -0.24 0.00 0.00 0.00 179.25 178.14 2qub h VAL 84 N 0.07 1.28 -0.44 0.00 3.04 -1.31 -2.13 116.25 116.76 2qub h VAL 84 Ca 0.02 -1.34 0.00 0.00 -1.01 0.00 0.00 66.70 64.37 2qub h VAL 84 Cb -0.00 1.26 -0.02 0.00 -2.01 0.00 0.00 31.29 30.51 2qub h VAL 84 CO -0.01 0.45 0.28 0.78 -1.01 0.00 0.00 177.57 178.06 2qub h ASN 85 N 0.69 0.52 0.26 3.17 -0.26 -1.12 -2.00 115.58 116.84 2qub h ASN 85 Ca 0.09 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.78 2qub h ASN 85 Cb 0.76 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 37.89 2qub h ASN 85 CO 0.06 0.40 -0.07 0.78 -1.06 0.00 0.00 177.43 177.54 2qub h ASN 86 N 0.59 0.00 0.38 5.81 2.35 -1.00 0.12 115.58 123.84 2qub h ASN 86 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2qub h ASN 86 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2qub h ASN 86 CO -0.03 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.82 2qub n ALA 87 N -2.27 2.54 0.00 -0.83 0.00 -0.81 -4.90 120.51 114.24 2qub n ALA 87 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2qub n ALA 87 Cb 0.19 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.17 0.88 3.36 0.00 0.00 0.42 -4.98 105.19 106.04 2qub n GLY 88 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 2.80 -0.04 1.61 0.52 -0.81 -4.25 118.94 116.77 2qub s TRP 89 Ca 0.00 -0.67 0.05 0.00 0.02 0.00 0.00 56.10 55.50 2qub s TRP 89 Cb 0.00 -1.84 -0.01 0.00 -1.15 0.00 0.00 33.47 30.47 2qub s TRP 89 CO 0.00 -0.23 -0.20 -1.12 0.02 0.00 0.00 176.95 175.42 2qub s SER 90 N 0.37 2.46 0.34 2.95 0.01 -0.33 -2.97 113.70 116.53 2qub s SER 90 Ca -0.11 -0.40 -0.29 0.00 1.31 0.00 0.00 55.95 56.46 2qub s SER 90 Cb -0.16 -0.60 -0.11 0.00 0.21 0.00 0.00 66.02 65.36 2qub s SER 90 CO 0.06 0.20 1.54 -0.69 0.41 0.00 0.00 173.24 174.75 2qub s VAL 91 N -0.12 2.05 -0.18 3.43 1.01 -1.26 -0.19 120.40 125.14 2qub s VAL 91 Ca -0.01 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 2qub s VAL 91 Cb -0.11 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2qub s VAL 91 CO 0.02 0.01 0.16 -0.63 0.00 0.00 0.00 175.10 174.66 2qub s ILE 92 N -0.60 5.40 0.57 2.22 1.01 0.18 -4.82 121.20 125.16 2qub s ILE 92 Ca 0.58 0.27 -0.10 0.00 0.00 0.00 0.00 60.65 61.40 2qub s ILE 92 Cb -0.47 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2qub s ILE 92 CO 0.56 0.46 0.95 -0.94 0.00 0.00 0.00 174.94 175.98 2qub s SER 93 N 0.12 6.27 0.39 3.58 1.04 -1.26 -4.78 113.70 119.06 2qub s SER 93 Ca 0.11 1.28 0.05 0.00 0.48 0.00 0.00 55.95 57.88 2qub s SER 93 Cb -0.12 -2.41 0.77 0.00 0.10 0.00 0.00 66.02 64.37 2qub s SER 93 CO 0.00 -0.76 2.02 0.00 0.98 0.00 0.00 173.24 175.49 2qub h ALA 94 N -0.04 1.63 -0.50 5.32 0.00 -1.92 -1.94 119.26 121.80 2qub h ALA 94 Ca -0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2qub h ALA 94 Cb 1.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2qub h ALA 94 CO 0.62 0.33 0.22 1.15 0.00 0.00 0.00 179.25 181.57 2qub h THR 95 N 0.63 1.20 -0.78 0.00 2.02 -1.93 0.89 112.91 114.93 2qub h THR 95 Ca 0.17 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 2qub h THR 95 Cb -0.02 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2qub h THR 95 CO -0.03 0.23 0.28 1.56 0.37 0.00 0.00 175.52 177.93 2qub h GLN 96 N 0.67 1.19 0.00 6.66 4.20 -1.76 -2.59 115.11 123.49 2qub h GLN 96 Ca 0.17 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2qub h GLN 96 Cb 0.16 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2qub h GLN 96 CO -0.02 0.98 0.00 -0.07 -0.67 0.00 0.00 178.83 179.05 2qub h LEU 97 N 1.15 0.00 0.47 1.46 3.38 -1.21 -3.47 115.31 117.09 2qub h LEU 97 Ca 0.26 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.01 2qub h LEU 97 Cb 0.26 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.04 2qub h LEU 97 CO -0.02 0.00 -0.32 0.61 0.09 0.00 0.00 178.44 178.80 2qub n GLY 98 N 0.84 0.02 3.74 0.83 0.00 0.13 -4.83 105.19 105.93 2qub n GLY 98 Ca 0.03 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.83 3.61 -2.74 1.61 5.04 -0.21 -4.99 117.35 116.84 2qub s TYR 99 Ca 0.14 1.12 0.25 0.00 -2.44 0.00 0.00 57.07 56.13 2qub s TYR 99 Cb -0.06 -2.64 0.38 0.00 0.35 0.00 0.00 41.96 39.99 2qub s TYR 99 CO 0.17 0.24 1.36 0.00 -1.34 0.00 0.00 175.55 175.98 2qub n ALA 100 N 3.26 2.63 -1.32 3.97 0.00 -1.26 -4.72 120.51 123.06 2qub n ALA 100 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2qub n ALA 100 Cb 0.51 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 1.32 -0.39 3.71 0.00 0.00 -1.26 -5.04 105.19 103.52 2qub n GLY 101 Ca 0.14 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.44 4.36 0.13 1.61 2.20 -1.26 -5.05 119.74 120.29 2qub s LYS 102 Ca 0.00 0.72 0.06 0.00 -0.36 0.00 0.00 55.97 56.39 2qub s LYS 102 Cb 0.00 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2qub s LYS 102 CO 0.00 0.02 -0.14 0.95 -0.36 0.00 0.00 175.35 175.81 2qub s THR 103 N 1.02 1.38 0.42 3.43 -4.23 -1.26 -2.09 115.64 114.31 2qub s THR 103 Ca 0.33 -1.76 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 2qub s THR 103 Cb -0.17 -1.58 0.08 0.00 1.34 0.00 0.00 72.50 72.17 2qub s THR 103 CO 0.14 -0.42 0.58 -0.90 -0.54 0.00 0.00 174.62 173.48 2qub n ASP 104 N 0.47 1.06 0.15 3.99 5.68 -0.79 -4.94 116.55 122.18 2qub n ASP 104 Ca -0.15 -1.83 0.12 0.00 -0.50 0.00 0.00 54.79 52.43 2qub n ASP 104 Cb 0.57 -0.35 0.55 0.00 -1.14 0.00 0.00 41.12 40.76 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 -0.20 1.00 -0.02 2.12 0.00 -2.03 -1.17 119.26 118.97 2qub h ALA 105 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2qub h ALA 105 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2qub h ALA 105 CO 0.23 0.00 -0.19 0.54 0.00 0.00 0.00 179.25 179.83 2qub n ARG 106 N -2.32 1.42 -0.53 0.00 1.74 -1.26 -4.94 116.66 110.77 2qub n ARG 106 Ca 0.01 -0.99 0.00 0.00 -0.77 0.00 0.00 57.85 56.09 2qub n ARG 106 Cb 0.17 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 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 1.31 0.74 3.76 -0.13 0.00 -0.44 -5.06 105.19 105.38 2qub n GLY 107 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.03 3.61 -0.02 2.61 2.01 -1.26 -4.80 115.64 115.76 2qub s THR 108 Ca 0.00 1.56 -0.11 0.00 0.31 0.00 0.00 61.69 63.45 2qub s THR 108 Cb 0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 2qub s THR 108 CO 0.00 0.33 0.32 -0.31 -0.69 0.00 0.00 174.62 174.26 2qub s TYR 109 N -1.24 3.66 0.12 4.92 2.02 0.08 -1.88 117.35 125.03 2qub s TYR 109 Ca 0.46 0.79 0.07 0.00 -0.37 0.00 0.00 57.07 58.02 2qub s TYR 109 Cb -0.30 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.09 2qub s TYR 109 CO 0.38 0.65 -0.06 0.71 -1.57 0.00 0.00 175.55 175.66 2qub s TYR 110 N -1.13 2.80 0.43 2.71 2.02 -0.89 -1.09 117.35 122.20 2qub s TYR 110 Ca 0.23 -0.13 -0.24 0.00 -0.37 0.00 0.00 57.07 56.56 2qub s TYR 110 Cb -0.15 -1.43 -0.10 0.00 -0.40 0.00 0.00 41.96 39.89 2qub s TYR 110 CO 0.12 0.46 0.99 0.41 -1.57 0.00 0.00 175.55 175.96 2qub n GLY 111 N 0.43 -0.27 0.06 0.71 0.00 -0.24 -4.73 105.19 101.16 2qub n GLY 111 Ca -0.12 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.10 0.64 -4.69 1.61 1.02 0.10 -4.37 120.64 115.05 2qub n GLU 112 Ca 0.10 -0.02 -0.31 0.00 -0.02 0.00 0.00 57.16 56.91 2qub n GLU 112 Cb 0.40 -1.66 -0.13 0.00 -0.02 0.00 0.00 31.44 30.02 2qub n GLU 112 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2qub s THR 113 N -3.31 2.76 0.12 2.62 2.01 -1.24 -5.01 115.64 113.60 2qub s THR 113 Ca -0.05 -1.17 -0.35 0.00 0.31 0.00 0.00 61.69 60.43 2qub s THR 113 Cb 0.11 -2.15 -0.16 0.00 0.01 0.00 0.00 72.50 70.30 2qub s THR 113 CO 0.85 0.35 1.23 0.00 -0.69 0.00 0.00 174.62 176.37 2qub n ALA 114 N 1.61 -1.05 -0.19 7.40 0.00 -1.26 -0.60 120.51 126.42 2qub n ALA 114 Ca -0.16 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2qub n ALA 114 Cb 0.52 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 2.23 1.07 0.01 0.00 0.00 -1.26 -4.84 105.19 102.40 2qub n GLY 115 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2qub n GLY 115 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qub n TYR 116 N -2.00 0.00 0.85 1.61 4.01 0.24 -4.86 117.16 117.01 2qub n TYR 116 Ca 0.00 -0.26 0.09 0.00 -0.16 0.00 0.00 57.90 57.57 2qub n TYR 116 Cb 0.00 -0.03 0.47 0.00 -0.31 0.00 0.00 39.34 39.47 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 -0.27 0.48 0.35 -0.72 -2.24 -1.21 -1.81 114.28 108.86 2qub n THR 117 Ca 0.00 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.02 2qub n THR 117 Cb 0.38 -0.80 0.20 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.34 0.46 -2.32 4.28 -2.24 -1.26 -4.20 114.28 107.66 2qub n THR 118 Ca 0.08 -0.73 -0.38 0.00 -2.27 0.00 0.00 64.05 60.75 2qub n THR 118 Cb 0.17 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.50 3.08 0.00 6.98 0.00 -0.75 -4.82 121.76 124.76 2qub s ALA 119 Ca 0.37 0.91 0.03 0.00 0.00 0.00 0.00 51.96 53.27 2qub s ALA 119 Cb 0.22 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 2qub s ALA 119 CO 0.31 -0.52 -0.11 -0.65 0.00 0.00 0.00 175.76 174.79 2qub s GLN 120 N -2.47 0.82 0.02 0.00 1.11 -1.26 -1.08 119.66 116.80 2qub s GLN 120 Ca 0.59 -0.44 -0.01 0.00 0.01 0.00 0.00 55.36 55.52 2qub s GLN 120 Cb -0.29 -0.78 -0.02 0.00 -1.01 0.00 0.00 33.01 30.91 2qub s GLN 120 CO 0.35 0.21 -0.02 0.00 0.01 0.00 0.00 175.29 175.85 2qub s ALA 121 N -0.39 0.09 -0.03 6.09 0.00 -0.25 -1.20 121.76 126.08 2qub s ALA 121 Ca 0.03 -0.57 0.07 0.00 0.00 0.00 0.00 51.96 51.48 2qub s ALA 121 Cb -0.05 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2qub s ALA 121 CO -0.00 -0.17 -0.22 -1.21 0.00 0.00 0.00 175.76 174.16 2qub s GLU 122 N -1.54 2.23 -0.15 0.00 0.41 0.46 -0.74 118.70 119.37 2qub s GLU 122 Ca -0.15 -0.86 0.01 0.00 -0.41 0.00 0.00 54.97 53.56 2qub s GLU 122 Cb -0.09 -2.15 0.02 0.00 -1.78 0.00 0.00 34.13 30.12 2qub s GLU 122 CO -0.01 0.58 -0.18 0.08 -0.49 0.00 0.00 175.26 175.24 2qub s VAL 123 N -0.66 1.82 0.17 2.63 1.01 -1.26 -1.22 120.40 122.88 2qub s VAL 123 Ca 0.11 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.34 2qub s VAL 123 Cb -0.10 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2qub s VAL 123 CO -0.00 0.50 -0.13 -0.76 0.00 0.00 0.00 175.10 174.71 2qub s LEU 124 N 1.18 2.52 0.14 3.92 1.02 0.32 -0.64 118.68 127.13 2qub s LEU 124 Ca 0.00 -0.98 0.09 0.00 0.02 0.00 0.00 54.13 53.25 2qub s LEU 124 Cb -0.14 -0.53 -0.04 0.00 0.02 0.00 0.00 46.19 45.50 2qub s LEU 124 CO -0.08 -0.23 -0.20 -0.83 0.02 0.00 0.00 176.35 175.04 2qub s GLY 125 N -3.11 1.34 -0.04 -3.19 0.00 0.74 -0.47 107.32 102.59 2qub s GLY 125 Ca 0.18 -1.39 0.06 0.00 0.00 0.00 0.00 44.72 43.57 2qub s GLY 125 CO 0.04 -1.42 -0.24 1.25 0.00 0.00 0.00 173.10 172.73 2qub s LYS 126 N -2.41 2.41 0.15 2.90 2.20 -0.60 -1.19 119.74 123.19 2qub s LYS 126 Ca 0.12 -0.88 0.07 0.00 -0.36 0.00 0.00 55.97 54.92 2qub s LYS 126 Cb -0.08 -2.16 -0.04 0.00 -1.51 0.00 0.00 37.83 34.05 2qub s LYS 126 CO 0.06 0.47 -0.16 0.71 -0.36 0.00 0.00 175.35 176.07 2qub s TYR 127 N -0.38 1.61 0.76 4.03 2.02 -1.26 -0.24 117.35 123.89 2qub s TYR 127 Ca 0.03 -0.52 -0.06 0.00 -0.37 0.00 0.00 57.07 56.15 2qub s TYR 127 Cb -0.12 -0.82 0.12 0.00 -0.40 0.00 0.00 41.96 40.74 2qub s TYR 127 CO 0.02 0.24 1.07 0.16 -1.57 0.00 0.00 175.55 175.46 2qub s ASP 128 N -2.59 4.24 -1.11 2.29 1.47 -0.06 -4.89 116.67 116.01 2qub s ASP 128 Ca 0.13 0.07 -0.22 0.00 1.18 0.00 0.00 52.55 53.70 2qub s ASP 128 Cb -0.05 -0.48 -0.04 0.00 -0.34 0.00 0.00 42.92 42.01 2qub s ASP 128 CO 0.05 -1.95 1.86 -0.94 0.68 0.00 0.00 175.17 174.87 2qub s SER 129 N -4.69 5.48 0.00 2.11 1.04 -1.26 -1.49 113.70 114.90 2qub s SER 129 Ca 0.66 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2qub s SER 129 Cb -0.07 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2qub s SER 129 CO 0.46 -2.55 0.00 -0.62 0.98 0.00 0.00 173.24 171.52 2qub n GLU 130 N 8.51 0.00 -0.29 4.02 1.02 -1.26 -4.96 120.64 127.68 2qub n GLU 130 Ca 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 2qub n GLU 130 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 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 0.81 3.73 0.62 0.00 -0.55 -5.06 105.19 104.74 2qub n GLY 131 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2qub n GLY 131 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qub s ASN 132 N -2.21 7.48 0.01 1.61 0.01 -1.26 -4.81 114.94 115.78 2qub s ASN 132 Ca 0.00 1.84 -0.30 0.00 -0.71 0.00 0.00 52.86 53.68 2qub s ASN 132 Cb 0.00 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 2qub s ASN 132 CO 0.00 -0.07 1.36 -0.22 -1.51 0.00 0.00 177.10 176.66 2qub s LEU 133 N -0.11 4.32 -0.02 0.60 2.96 -1.26 -0.89 118.68 124.28 2qub s LEU 133 Ca 0.47 2.09 0.08 0.00 -0.22 0.00 0.00 54.13 56.55 2qub s LEU 133 Cb -0.24 -3.56 -0.12 0.00 0.50 0.00 0.00 46.19 42.76 2qub s LEU 133 CO 0.30 -0.67 0.15 0.35 -1.32 0.00 0.00 176.35 175.16 2qub n THR 134 N 4.51 0.10 -3.56 3.68 -2.24 0.66 -4.92 114.28 112.51 2qub n THR 134 Ca 0.12 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 2qub n THR 134 Cb 0.44 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.72 2qub n THR 134 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qub s ALA 135 N -2.50 -1.30 -0.02 6.98 0.00 -1.16 -4.94 121.76 118.82 2qub s ALA 135 Ca -0.03 0.49 0.07 0.00 0.00 0.00 0.00 51.96 52.48 2qub s ALA 135 Cb 0.05 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 2qub s ALA 135 CO 0.34 -0.56 -0.23 0.42 0.00 0.00 0.00 175.76 175.73 2qub s ILE 136 N -2.81 1.84 -0.08 0.00 1.01 -0.82 -1.56 121.20 118.77 2qub s ILE 136 Ca -0.03 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.67 2qub s ILE 136 Cb -0.00 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 2qub s ILE 136 CO -0.05 0.52 -0.20 -0.83 0.00 0.00 0.00 174.94 174.38 2qub s GLY 137 N -0.48 1.40 -0.14 6.18 0.00 0.38 -1.16 107.32 113.50 2qub s GLY 137 Ca 0.07 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.83 2qub s GLY 137 CO -0.00 -0.48 -0.21 -0.42 0.00 0.00 0.00 173.10 171.99 2qub s ILE 138 N -0.00 2.01 -0.08 0.90 1.01 -0.13 -0.52 121.20 124.38 2qub s ILE 138 Ca -0.07 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.66 2qub s ILE 138 Cb -0.15 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.55 2qub s ILE 138 CO 0.05 0.54 -0.12 -0.55 0.00 0.00 0.00 174.94 174.86 2qub s SER 139 N 0.89 1.97 -0.16 3.58 0.15 -0.36 -1.04 113.70 118.74 2qub s SER 139 Ca -0.06 -0.32 -0.07 0.00 0.70 0.00 0.00 55.95 56.20 2qub s SER 139 Cb -0.15 -0.88 -0.04 0.00 -1.71 0.00 0.00 66.02 63.24 2qub s SER 139 CO -0.03 0.00 0.10 -0.36 1.20 0.00 0.00 173.24 174.15 2qub s PHE 140 N 0.91 3.40 0.32 3.44 0.08 -0.68 -0.41 117.98 125.05 2qub s PHE 140 Ca -0.10 0.32 -0.26 0.00 0.12 0.00 0.00 56.93 57.00 2qub s PHE 140 Cb -0.15 -2.02 -0.10 0.00 -0.57 0.00 0.00 43.02 40.18 2qub s PHE 140 CO 0.01 0.43 0.97 0.50 -0.10 0.00 0.00 175.22 177.02 2qub s ARG 141 N -0.25 4.56 0.00 0.44 3.52 -0.34 -3.84 118.95 123.04 2qub s ARG 141 Ca 0.10 1.40 0.00 0.00 -0.13 0.00 0.00 55.73 57.10 2qub s ARG 141 Cb -0.12 -2.85 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 2qub s ARG 141 CO 0.01 0.25 0.00 0.41 -0.81 0.00 0.00 175.30 175.16 2qub n GLY 142 N 0.68 -1.22 3.72 8.12 0.00 -1.19 -3.21 105.19 112.10 2qub n GLY 142 Ca 0.02 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.52 2.32 0.00 2.61 2.01 -1.26 -4.78 115.64 116.02 2qub s THR 143 Ca 0.00 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.24 2qub s THR 143 Cb 0.00 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.36 2qub s THR 143 CO 0.00 0.02 0.00 -1.54 -0.69 0.00 0.00 174.62 172.41 2qub n SER 144 N 3.68 0.00 -1.06 3.53 3.41 -1.26 -5.05 113.62 116.87 2qub n SER 144 Ca 0.14 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2qub n SER 144 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.23 1.97 3.66 5.00 0.00 -1.26 -4.73 105.19 108.60 2qub n GLY 145 Ca 0.00 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.02 1.75 -0.32 1.61 -0.02 -1.26 -4.71 135.00 132.03 2qub n PRO 146 Ca -0.00 0.62 0.15 0.00 -2.02 0.00 0.00 63.50 62.25 2qub n PRO 146 Cb 0.02 -2.22 0.38 0.00 -0.02 0.00 0.00 33.50 31.66 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 2.02 0.63 0.00 -0.52 3.08 -1.97 -1.16 114.38 116.46 2qub h ARG 147 Ca -0.46 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2qub h ARG 147 Cb 1.31 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2qub h ARG 147 CO 0.60 0.42 0.00 0.93 -1.07 0.00 0.00 179.97 180.84 2qub h GLU 148 N 0.65 0.00 -0.21 0.04 3.07 -1.90 -2.91 114.58 113.32 2qub h GLU 148 Ca 0.55 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.21 2qub h GLU 148 Cb 1.01 0.00 -0.32 0.00 -0.84 0.00 0.00 28.75 28.60 2qub h GLU 148 CO -0.32 0.00 -0.92 -1.13 -1.40 0.00 0.00 179.01 175.24 2qub n SER 149 N -3.07 1.80 -0.10 1.42 3.41 -0.51 -4.96 113.62 111.61 2qub n SER 149 Ca -0.01 -2.63 -0.08 0.00 -0.26 0.00 0.00 58.87 55.89 2qub n SER 149 Cb 0.20 -0.40 -0.00 0.00 -0.26 0.00 0.00 64.21 63.75 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 0.31 -0.11 1.04 5.85 -1.15 -1.53 115.31 121.29 2qub h LEU 150 Ca -0.08 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2qub h LEU 150 Cb 1.51 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 2qub h LEU 150 CO 0.19 0.23 -0.07 0.40 -0.34 0.00 0.00 178.44 178.84 2qub h ILE 151 N 0.40 1.33 -0.53 4.05 2.04 -1.88 -1.50 117.51 121.43 2qub h ILE 151 Ca 0.14 -1.14 -0.09 0.00 1.00 0.00 0.00 64.86 64.77 2qub h ILE 151 Cb 0.01 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 2qub h ILE 151 CO -0.07 0.33 -0.01 1.23 0.00 0.00 0.00 178.15 179.62 2qub h GLY 152 N -0.14 0.98 0.87 5.37 0.00 -1.97 -1.85 103.07 106.33 2qub h GLY 152 Ca 0.02 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 2qub h GLY 152 CO 0.02 0.64 -0.10 -1.80 0.00 0.00 0.00 176.54 175.30 2qub h ASP 153 N 0.84 0.56 -0.81 0.19 3.58 -1.28 -2.58 116.42 116.92 2qub h ASP 153 Ca 0.15 -0.39 0.02 0.00 0.42 0.00 0.00 57.03 57.23 2qub h ASP 153 Cb 0.52 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.37 2qub h ASP 153 CO 0.03 0.82 0.53 0.74 -2.88 0.00 0.00 179.24 178.47 2qub h THR 154 N 0.29 1.18 -0.83 2.25 2.02 -1.16 -1.67 112.91 115.00 2qub h THR 154 Ca 0.06 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.89 2qub h THR 154 Cb 0.59 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 2qub h THR 154 CO 0.03 0.19 0.55 0.40 0.37 0.00 0.00 175.52 177.06 2qub h ILE 155 N 1.07 1.20 -0.59 3.11 2.04 -1.23 0.41 117.51 123.52 2qub h ILE 155 Ca 0.30 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.80 2qub h ILE 155 Cb -0.09 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 35.95 2qub h ILE 155 CO -0.08 0.20 0.38 1.23 0.00 0.00 0.00 178.15 179.89 2qub h GLY 156 N 1.11 0.84 1.01 5.37 0.00 -0.99 -2.23 103.07 108.18 2qub h GLY 156 Ca 0.31 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2qub h GLY 156 CO -0.07 0.28 0.49 -0.55 0.00 0.00 0.00 176.54 176.68 2qub h ASP 157 N 0.77 0.97 -0.37 0.19 3.32 -0.75 -2.54 116.42 118.01 2qub h ASP 157 Ca 0.23 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2qub h ASP 157 Cb -0.05 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2qub h ASP 157 CO -0.07 0.75 0.07 0.58 -1.72 0.00 0.00 179.24 178.85 2qub h VAL 158 N 1.11 1.21 -0.47 -1.35 2.07 -0.56 0.12 116.25 118.37 2qub h VAL 158 Ca 0.29 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2qub h VAL 158 Cb -0.05 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2qub h VAL 158 CO -0.05 0.29 0.21 0.40 0.02 0.00 0.00 177.57 178.43 2qub h ILE 159 N 0.67 1.20 -0.71 4.57 2.04 -1.09 -0.77 117.51 123.42 2qub h ILE 159 Ca 0.14 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 2qub h ILE 159 Cb 0.32 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2qub h ILE 159 CO 0.00 0.23 0.38 0.78 0.00 0.00 0.00 178.15 179.54 2qub h ASN 160 N 0.62 0.89 -0.63 1.72 -0.26 -0.95 -1.71 115.58 115.27 2qub h ASN 160 Ca 0.16 -0.10 0.03 0.00 -0.56 0.00 0.00 56.30 55.83 2qub h ASN 160 Cb 0.16 -0.23 -0.04 0.00 -1.06 0.00 0.00 38.32 37.15 2qub h ASN 160 CO -0.02 0.74 0.39 0.44 -1.06 0.00 0.00 177.43 177.92 2qub h ASP 161 N 0.98 0.63 -0.03 5.81 3.32 -0.50 -1.65 116.42 124.98 2qub h ASP 161 Ca 0.25 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.16 2qub h ASP 161 Cb 0.05 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2qub h ASP 161 CO -0.04 0.44 -0.43 -0.07 -1.72 0.00 0.00 179.24 177.42 2qub h LEU 162 N 0.76 0.60 -0.98 1.55 3.38 -0.86 -2.81 115.31 116.96 2qub h LEU 162 Ca 0.25 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2qub h LEU 162 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2qub h LEU 162 CO -0.10 0.95 -0.13 -0.07 0.09 0.00 0.00 178.44 179.18 2qub h LEU 163 N 0.46 0.58 -0.79 1.67 3.38 -1.09 0.26 115.31 119.79 2qub h LEU 163 Ca 0.03 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2qub h LEU 163 Cb 0.94 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 2qub h LEU 163 CO 0.08 0.74 0.50 0.00 0.09 0.00 0.00 178.44 179.85 2qub h ALA 164 N 1.32 1.04 0.13 1.53 0.00 -1.09 0.28 119.26 122.47 2qub h ALA 164 Ca 0.10 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.67 2qub h ALA 164 Cb 0.54 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qub h ALA 164 CO 0.03 0.31 -1.55 0.78 0.00 0.00 0.00 179.25 178.81 2qub h GLY 165 N 0.97 0.31 0.00 0.00 0.00 -1.23 -3.41 103.07 99.71 2qub h GLY 165 Ca 0.32 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2qub h GLY 165 CO -0.12 0.70 0.00 0.69 0.00 0.00 0.00 176.54 177.82 2qub n PHE 166 N -3.48 0.00 -1.72 5.60 3.72 0.90 -4.56 117.46 117.92 2qub n PHE 166 Ca -0.17 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 2qub n PHE 166 Cb 1.05 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 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 -0.20 1.66 3.62 1.37 0.00 1.00 -4.95 105.19 107.69 2qub n GLY 167 Ca 0.00 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 2qub n GLY 167 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qub n PRO 168 N 0.00 0.96 0.16 1.61 -0.02 -1.26 -4.88 135.00 131.56 2qub n PRO 168 Ca 0.00 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 2qub n PRO 168 Cb 0.00 -2.18 0.65 0.00 -0.02 0.00 0.00 33.50 31.94 2qub n PRO 168 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2qub h LYS 169 N 0.58 0.02 -0.46 -0.52 1.57 -1.97 -2.25 116.57 113.54 2qub h LYS 169 Ca -0.48 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2qub h LYS 169 Cb 1.36 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 2qub h LYS 169 CO 0.51 0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.82 2qub n GLY 170 N -1.57 1.68 0.33 3.86 0.00 -1.26 -4.67 105.19 103.56 2qub n GLY 170 Ca 0.02 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 3.99 -0.81 -0.23 1.61 3.20 -1.74 -2.31 116.97 120.68 2qub h TYR 171 Ca 0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 2qub h TYR 171 Cb 0.89 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.44 2qub h TYR 171 CO 0.30 -0.43 -0.03 0.00 -1.64 0.00 0.00 178.16 176.35 2qub h ALA 172 N -0.07 0.17 -0.69 1.82 0.00 -1.83 -1.63 119.26 117.03 2qub h ALA 172 Ca -0.01 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2qub h ALA 172 Cb 0.58 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2qub h ALA 172 CO -0.06 -0.45 0.46 -0.44 0.00 0.00 0.00 179.25 178.75 2qub h ASP 173 N 0.03 0.36 0.74 0.00 3.32 -1.86 -2.24 116.42 116.77 2qub h ASP 173 Ca 0.11 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2qub h ASP 173 Cb 0.15 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2qub h ASP 173 CO -0.21 0.20 -0.43 0.61 -1.72 0.00 0.00 179.24 177.69 2qub n GLY 174 N -1.53 -1.36 0.33 2.75 0.00 -0.67 -4.48 105.19 100.23 2qub n GLY 174 Ca 0.12 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 2qub n GLY 174 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qub h TYR 175 N 0.00 -0.88 -0.17 1.61 5.03 -0.78 -0.53 116.97 121.26 2qub h TYR 175 Ca 0.00 0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.22 2qub h TYR 175 Cb 0.58 0.42 -0.01 0.00 1.55 0.00 0.00 36.73 39.27 2qub h TYR 175 CO 0.00 -0.39 -0.46 1.15 -1.32 0.00 0.00 178.16 177.14 2qub h THR 176 N -0.35 1.32 -0.33 1.81 2.02 -1.79 0.28 112.91 115.87 2qub h THR 176 Ca 0.12 -1.66 -0.03 0.00 0.77 0.00 0.00 66.41 65.60 2qub h THR 176 Cb 0.54 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 2qub h THR 176 CO -0.40 0.51 0.09 0.25 0.37 0.00 0.00 175.52 176.34 2qub h LEU 177 N 0.34 0.50 -0.50 2.58 5.85 -1.71 0.10 115.31 122.47 2qub h LEU 177 Ca 0.02 -0.22 -0.16 0.00 0.84 0.00 0.00 57.88 58.36 2qub h LEU 177 Cb 0.94 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2qub h LEU 177 CO 0.08 0.59 -0.52 0.11 -0.34 0.00 0.00 178.44 178.36 2qub h LYS 178 N 0.38 0.63 0.10 1.25 1.79 -0.92 -1.73 116.57 118.06 2qub h LYS 178 Ca 0.11 -0.38 -0.19 0.00 -2.18 0.00 0.00 60.65 58.00 2qub h LYS 178 Cb 0.28 0.04 0.02 0.00 -1.58 0.00 0.00 32.23 30.99 2qub h LYS 178 CO -0.00 0.99 -0.81 0.00 -1.08 0.00 0.00 179.45 178.55 2qub h ALA 179 N 0.93 -0.03 0.00 3.86 0.00 -0.89 -3.29 119.26 119.84 2qub h ALA 179 Ca 0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 2qub h ALA 179 Cb 1.07 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 2qub h ALA 179 CO 0.10 0.41 -0.51 1.19 0.00 0.00 0.00 179.25 180.45 2qub n PHE 180 N -4.11 0.00 -0.17 0.00 3.72 0.35 -0.72 117.46 116.53 2qub n PHE 180 Ca -0.13 -0.51 -0.01 0.00 -0.05 0.00 0.00 57.45 56.75 2qub n PHE 180 Cb 0.80 -0.12 0.08 0.00 -0.94 0.00 0.00 39.48 39.30 2qub n PHE 180 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2qub h GLY 181 N 0.33 0.63 0.80 1.37 0.00 -1.25 -1.10 103.07 103.85 2qub h GLY 181 Ca -0.05 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 2qub h GLY 181 CO 0.02 -0.11 -0.05 3.43 0.00 0.00 0.00 176.54 179.83 2qub h ASN 182 N 0.20 0.39 -0.47 0.19 -0.26 -1.89 -2.84 115.58 110.89 2qub h ASN 182 Ca 0.27 -0.37 0.06 0.00 -0.56 0.00 0.00 56.30 55.71 2qub h ASN 182 Cb 0.40 -0.11 -0.05 0.00 -1.06 0.00 0.00 38.32 37.50 2qub h ASN 182 CO -0.38 0.67 0.16 0.25 -1.06 0.00 0.00 177.43 177.07 2qub h LEU 183 N 0.11 0.16 -1.46 1.61 5.85 -1.85 -1.73 115.31 118.00 2qub h LEU 183 Ca 0.05 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 2qub h LEU 183 Cb 0.50 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2qub h LEU 183 CO 0.02 0.12 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.90 2qub h LEU 184 N 0.34 0.00 -0.22 2.25 3.38 -1.19 -0.09 115.31 119.77 2qub h LEU 184 Ca 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2qub h LEU 184 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2qub h LEU 184 CO -0.23 0.27 0.06 1.23 0.09 0.00 0.00 178.44 179.85 2qub h GLY 185 N 0.82 0.37 1.26 0.83 0.00 -1.10 -1.88 103.07 103.36 2qub h GLY 185 Ca -0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 2qub h GLY 185 CO 0.04 0.21 0.16 -0.55 0.00 0.00 0.00 176.54 176.40 2qub h ASP 186 N 0.17 0.87 -0.52 0.19 3.32 -0.50 -2.21 116.42 117.74 2qub h ASP 186 Ca 0.07 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 2qub h ASP 186 Cb 0.27 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2qub h ASP 186 CO 0.00 0.84 0.13 0.58 -1.72 0.00 0.00 179.24 179.07 2qub h VAL 187 N 0.90 1.24 -0.78 -1.35 2.07 -0.99 -1.42 116.25 115.92 2qub h VAL 187 Ca 0.20 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.88 2qub h VAL 187 Cb 0.31 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2qub h VAL 187 CO -0.00 0.31 0.51 0.00 0.02 0.00 0.00 177.57 178.41 2qub h ALA 188 N 1.00 1.01 -0.55 1.67 0.00 -1.04 0.30 119.26 121.65 2qub h ALA 188 Ca 0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2qub h ALA 188 Cb 0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2qub h ALA 188 CO 0.00 0.36 0.13 0.87 0.00 0.00 0.00 179.25 180.61 2qub h LYS 189 N 1.01 0.89 -0.29 0.00 1.57 -1.24 -1.24 116.57 117.27 2qub h LYS 189 Ca 0.30 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2qub h LYS 189 Cb -0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2qub h LYS 189 CO -0.09 0.83 0.15 0.35 -0.57 0.00 0.00 179.45 180.13 2qub h PHE 190 N 0.79 0.40 -0.06 -1.35 3.57 -0.77 -1.90 116.94 117.61 2qub h PHE 190 Ca 0.17 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.68 2qub h PHE 190 Cb 0.35 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2qub h PHE 190 CO 0.02 0.34 -0.07 0.00 -2.23 0.00 0.00 178.31 176.37 2qub h ALA 191 N 1.02 -0.03 -0.90 2.41 0.00 -0.20 -2.79 119.26 118.78 2qub h ALA 191 Ca 0.10 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2qub h ALA 191 Cb 0.07 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2qub h ALA 191 CO -0.02 -0.55 0.59 1.96 0.00 0.00 0.00 179.25 181.24 2qub h GLN 192 N -0.10 1.17 0.00 0.00 4.20 -1.12 -0.78 115.11 118.48 2qub h GLN 192 Ca 0.05 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2qub h GLN 192 Cb 0.17 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2qub h GLN 192 CO -0.12 0.77 -0.04 0.00 -0.67 0.00 0.00 178.83 178.78 2qub h ALA 193 N 1.45 1.09 -0.59 3.87 0.00 -1.11 -1.92 119.26 122.05 2qub h ALA 193 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2qub h ALA 193 Cb -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2qub h ALA 193 CO -0.08 0.05 0.00 0.72 0.00 0.00 0.00 179.25 179.94 2qub n HIS 194 N -3.26 1.07 -1.07 0.00 8.25 -0.40 -4.95 115.22 114.85 2qub n HIS 194 Ca -0.01 -0.57 -0.02 0.00 -0.26 0.00 0.00 57.72 56.85 2qub n HIS 194 Cb 0.20 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 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 1.07 0.57 3.92 -1.41 0.00 -0.72 -4.94 105.19 103.68 2qub n GLY 195 Ca 0.22 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.52 4.24 0.00 0.99 1.43 -0.58 -5.00 118.68 119.23 2qub s LEU 196 Ca 0.00 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 2qub s LEU 196 Cb 0.00 -3.18 -0.00 0.00 0.03 0.00 0.00 46.19 43.04 2qub s LEU 196 CO 0.00 -0.02 0.00 -1.54 0.23 0.00 0.00 176.35 175.02 2qub n SER 197 N -0.52 3.27 -0.23 2.29 3.41 -1.26 -3.79 113.62 116.79 2qub n SER 197 Ca -0.04 -3.05 0.14 0.00 -0.26 0.00 0.00 58.87 55.65 2qub n SER 197 Cb 0.53 0.34 0.43 0.00 -0.26 0.00 0.00 64.21 65.25 2qub n SER 197 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2qub h GLY 198 N 1.13 0.99 2.00 5.00 0.00 -1.91 -0.66 103.07 109.62 2qub h GLY 198 Ca -0.39 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2qub h GLY 198 CO 0.64 0.08 0.00 1.18 0.00 0.00 0.00 176.54 178.44 2qub n GLU 199 N -4.53 0.19 -0.13 4.80 1.02 -1.25 -1.88 120.64 118.86 2qub n GLU 199 Ca 0.16 0.45 0.06 0.00 -0.02 0.00 0.00 57.16 57.81 2qub n GLU 199 Cb 0.50 -1.88 0.20 0.00 -0.02 0.00 0.00 31.44 30.23 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 -2.24 1.50 -4.46 1.62 8.00 -0.25 -4.77 116.55 115.94 2qub n ASP 200 Ca 0.02 -1.91 -0.33 0.00 0.71 0.00 0.00 54.79 53.27 2qub n ASP 200 Cb 0.20 -0.17 -0.13 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.67 3.47 -0.15 2.53 1.01 -0.79 -1.93 120.40 122.86 2qub s VAL 201 Ca 0.22 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 2qub s VAL 201 Cb 0.12 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2qub s VAL 201 CO 0.16 0.53 -0.04 0.54 0.00 0.00 0.00 175.10 176.29 2qub s VAL 202 N 0.10 3.89 -0.14 2.92 0.11 -0.31 -1.42 120.40 125.55 2qub s VAL 202 Ca -0.03 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 58.68 2qub s VAL 202 Cb -0.14 -2.70 0.00 0.00 -1.53 0.00 0.00 36.38 32.01 2qub s VAL 202 CO 0.04 0.50 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.42 2qub s VAL 203 N 0.30 2.29 0.35 2.04 1.01 0.38 -0.95 120.40 125.82 2qub s VAL 203 Ca -0.04 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 2qub s VAL 203 Cb -0.14 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2qub s VAL 203 CO 0.03 0.54 0.47 -0.55 0.00 0.00 0.00 175.10 175.59 2qub s SER 204 N 0.70 1.00 0.00 3.32 0.15 -0.21 -1.10 113.70 117.55 2qub s SER 204 Ca -0.09 -1.52 0.00 0.00 0.70 0.00 0.00 55.95 55.04 2qub s SER 204 Cb -0.16 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2qub s SER 204 CO 0.01 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 173.76 2qub n GLY 205 N -0.58 3.34 3.15 9.45 0.00 -1.25 -1.68 105.19 117.62 2qub n GLY 205 Ca 0.01 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 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 1.64 0.00 1.61 2.46 -1.25 -1.09 115.29 116.66 2qub s HIS 206 Ca 0.00 -0.38 0.00 0.00 0.47 0.00 0.00 55.06 55.15 2qub s HIS 206 Cb 0.00 -1.08 0.00 0.00 -0.13 0.00 0.00 32.58 31.37 2qub s HIS 206 CO 0.00 -0.09 0.00 0.45 -2.47 0.00 0.00 174.74 172.63 2qub n SER 207 N 2.88 0.00 -0.11 9.88 2.88 -0.42 -1.00 113.62 127.73 2qub n SER 207 Ca -0.16 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.54 2qub n SER 207 Cb 0.53 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.56 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 0.26 -1.13 2.46 5.85 -1.85 0.11 115.31 121.01 2qub h LEU 208 Ca 0.00 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 2qub h LEU 208 Cb 0.00 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2qub h LEU 208 CO 0.00 0.14 -0.30 1.23 -0.34 0.00 0.00 178.44 179.17 2qub h GLY 209 N 0.28 0.24 1.08 3.75 0.00 -1.03 -0.97 103.07 106.43 2qub h GLY 209 Ca 0.33 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 2qub h GLY 209 CO -0.08 0.18 -0.27 -1.33 0.00 0.00 0.00 176.54 175.04 2qub h GLY 210 N 1.04 0.99 0.79 4.60 0.00 -0.84 -1.75 103.07 107.90 2qub h GLY 210 Ca 0.03 -0.93 0.04 0.00 0.00 0.00 0.00 47.33 46.47 2qub h GLY 210 CO 0.05 0.85 0.42 -2.00 0.00 0.00 0.00 176.54 175.85 2qub h LEU 211 N 0.73 0.66 -1.44 3.11 6.46 -0.84 -2.31 115.31 121.68 2qub h LEU 211 Ca 0.08 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.81 2qub h LEU 211 Cb 0.85 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 2qub h LEU 211 CO 0.07 0.44 -0.17 0.00 -0.62 0.00 0.00 178.44 178.17 2qub h ALA 212 N 1.32 1.54 -0.19 1.25 0.00 -0.88 0.33 119.26 122.64 2qub h ALA 212 Ca 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2qub h ALA 212 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2qub h ALA 212 CO -0.14 0.34 0.02 0.28 0.00 0.00 0.00 179.25 179.75 2qub h VAL 213 N 0.16 1.23 -0.70 0.00 2.07 -0.80 -1.11 116.25 117.09 2qub h VAL 213 Ca 0.03 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 2qub h VAL 213 Cb 0.39 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2qub h VAL 213 CO 0.02 0.23 0.24 0.78 0.02 0.00 0.00 177.57 178.87 2qub h ASN 214 N 0.10 0.99 -0.11 0.57 2.35 -1.10 -1.85 115.58 116.53 2qub h ASN 214 Ca 0.06 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2qub h ASN 214 Cb 0.33 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2qub h ASN 214 CO 0.00 0.91 0.07 -1.28 -1.65 0.00 0.00 177.43 175.48 2qub h SER 215 N 1.03 0.11 -0.38 5.81 0.87 -0.84 -0.80 113.55 119.36 2qub h SER 215 Ca 0.23 -0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.82 2qub h SER 215 Cb 0.26 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 2qub h SER 215 CO -0.01 0.09 0.19 -0.03 -0.53 0.00 0.00 176.83 176.53 2qub h MET 216 N 0.14 0.37 -0.69 2.24 1.85 -1.01 -1.98 114.93 115.86 2qub h MET 216 Ca 0.04 -0.02 0.08 0.00 -0.61 0.00 0.00 59.70 59.19 2qub h MET 216 Cb -0.01 -0.08 -0.07 0.00 0.43 0.00 0.00 31.60 31.87 2qub h MET 216 CO -0.02 0.25 0.35 0.00 -0.40 0.00 0.00 176.91 177.09 2qub h ALA 217 N 1.20 0.94 0.00 0.39 0.00 -1.19 -1.54 119.26 119.06 2qub h ALA 217 Ca 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2qub h ALA 217 Cb 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qub h ALA 217 CO -0.11 -0.02 -0.12 0.00 0.00 0.00 0.00 179.25 178.99 2qub h ALA 218 N 1.40 1.38 -0.02 0.00 0.00 -0.44 -2.48 119.26 119.10 2qub h ALA 218 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.13 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 0.15 -0.30 1.04 0.00 0.00 0.00 179.25 179.90 2qub n GLN 219 N -3.79 1.53 0.22 0.00 1.13 -0.74 -4.64 117.38 111.09 2qub n GLN 219 Ca -0.02 -1.23 0.12 0.00 -1.94 0.00 0.00 57.00 53.93 2qub n GLN 219 Cb 0.22 -1.47 0.23 0.00 0.11 0.00 0.00 30.24 29.33 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 3.00 0.00 0.20 1.08 4.64 -0.82 -1.31 113.55 120.33 2qub h SER 220 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 2qub h SER 220 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2qub h SER 220 CO 0.00 0.04 -0.83 0.44 -0.87 0.00 0.00 176.83 175.60 2qub h ASP 221 N 0.00 0.61 0.09 4.97 3.32 -1.82 -3.28 116.42 120.31 2qub h ASP 221 Ca -0.00 -0.44 -0.22 0.00 0.02 0.00 0.00 57.03 56.39 2qub h ASP 221 Cb 0.96 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 2qub h ASP 221 CO 0.00 1.21 -2.14 0.00 -1.72 0.00 0.00 179.24 176.60 2qub n ALA 222 N -2.55 1.98 -2.27 3.45 0.00 -1.15 -4.31 120.51 115.67 2qub n ALA 222 Ca -0.06 -0.97 -0.20 0.00 0.00 0.00 0.00 53.44 52.21 2qub n ALA 222 Cb 0.77 -0.47 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 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 -5.22 5.33 -1.35 0.00 0.01 -0.51 -4.57 114.94 108.63 2qub s ASN 223 Ca -0.08 -0.56 -0.09 0.00 -0.71 0.00 0.00 52.86 51.42 2qub s ASN 223 Cb 0.09 -0.75 0.06 0.00 0.41 0.00 0.00 41.25 41.05 2qub s ASN 223 CO 0.85 -0.58 0.53 0.79 -1.51 0.00 0.00 177.10 177.19 2qub n TRP 224 N -1.58 -1.84 -1.43 2.20 8.01 -1.26 -1.06 117.44 120.48 2qub n TRP 224 Ca 0.03 0.50 -0.15 0.00 -1.31 0.00 0.00 57.50 56.57 2qub n TRP 224 Cb 0.60 -3.30 -0.06 0.00 -2.01 0.00 0.00 31.31 26.54 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 -1.26 1.45 2.40 6.99 0.00 -1.26 -1.52 105.19 111.99 2qub n GLY 225 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.44 0.63 0.36 -0.02 0.00 -0.23 -4.94 105.19 100.56 2qub n GLY 226 Ca -0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 1.06 -0.66 1.61 3.57 -1.44 -2.26 116.94 118.82 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 0.04 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.45 2qub h PHE 227 CO 0.03 0.31 0.00 0.66 -2.23 0.00 0.00 178.31 177.07 2qub n TYR 228 N -4.69 1.06 -0.36 0.41 4.01 -1.26 -3.52 117.16 112.81 2qub n TYR 228 Ca 0.21 -0.48 0.09 0.00 -0.16 0.00 0.00 57.90 57.56 2qub n TYR 228 Cb 0.50 -0.07 0.27 0.00 -0.31 0.00 0.00 39.34 39.73 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 4.18 1.58 -0.39 -0.72 0.00 -1.46 -1.95 119.26 120.50 2qub h ALA 229 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2qub h ALA 229 Cb 1.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2qub h ALA 229 CO 0.07 0.13 0.03 1.04 0.00 0.00 0.00 179.25 180.51 2qub n GLN 230 N -4.67 3.34 -1.15 0.00 1.13 -1.26 -4.93 117.38 109.84 2qub n GLN 230 Ca 0.20 -2.97 -0.29 0.00 -1.94 0.00 0.00 57.00 52.00 2qub n GLN 230 Cb 0.43 -1.98 0.16 0.00 0.11 0.00 0.00 30.24 28.97 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 -1.65 2.92 -0.47 1.08 0.01 -0.74 -3.93 113.70 110.92 2qub s SER 231 Ca 0.47 1.34 -0.16 0.00 1.31 0.00 0.00 55.95 58.91 2qub s SER 231 Cb 0.37 -2.01 0.07 0.00 0.21 0.00 0.00 66.02 64.66 2qub s SER 231 CO 0.10 -2.97 0.41 0.20 0.41 0.00 0.00 173.24 171.39 2qub s ASN 232 N -3.40 6.15 -0.34 2.44 0.01 -0.51 -4.97 114.94 114.32 2qub s ASN 232 Ca 0.65 -1.26 -0.11 0.00 -0.71 0.00 0.00 52.86 51.42 2qub s ASN 232 Cb -0.19 -2.19 0.00 0.00 0.41 0.00 0.00 41.25 39.28 2qub s ASN 232 CO 0.58 -0.65 0.20 -0.31 -1.51 0.00 0.00 177.10 175.41 2qub s TYR 233 N 1.72 3.21 -0.25 2.20 2.02 -1.24 -0.47 117.35 124.55 2qub s TYR 233 Ca 0.05 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.19 2qub s TYR 233 Cb -0.23 -2.43 0.06 0.00 -0.40 0.00 0.00 41.96 38.96 2qub s TYR 233 CO 0.07 -0.49 -0.06 0.08 -1.57 0.00 0.00 175.55 173.59 2qub s VAL 234 N 1.63 1.73 -0.10 0.71 1.01 -0.26 -1.95 120.40 123.17 2qub s VAL 234 Ca 0.04 -1.42 -0.01 0.00 0.00 0.00 0.00 61.98 60.59 2qub s VAL 234 Cb -0.18 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2qub s VAL 234 CO 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 175.10 175.00 2qub s ALA 235 N 1.29 3.05 -0.13 5.51 0.00 -0.45 -3.89 121.76 127.14 2qub s ALA 235 Ca -0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 2qub s ALA 235 Cb -0.19 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 2qub s ALA 235 CO -0.07 0.45 -0.04 -0.06 0.00 0.00 0.00 175.76 176.05 2qub s PHE 236 N -0.42 3.03 -1.28 0.00 0.40 -0.25 -0.80 117.98 118.66 2qub s PHE 236 Ca 0.07 -0.18 -0.06 0.00 -0.60 0.00 0.00 56.93 56.16 2qub s PHE 236 Cb -0.12 -1.90 0.04 0.00 0.51 0.00 0.00 43.02 41.55 2qub s PHE 236 CO 0.02 0.09 0.37 0.00 0.70 0.00 0.00 175.22 176.40 2qub n ALA 237 N 3.14 -0.96 -1.87 5.36 0.00 -0.35 -1.30 120.51 124.53 2qub n ALA 237 Ca -0.18 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 2qub n ALA 237 Cb 0.53 -2.64 -0.04 0.00 0.00 0.00 0.00 19.45 17.30 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 -2.52 7.17 0.48 0.00 0.15 -1.26 -3.50 113.70 114.22 2qub s SER 238 Ca 0.27 2.28 0.27 0.00 0.70 0.00 0.00 55.95 59.47 2qub s SER 238 Cb -0.14 -2.62 0.93 0.00 -1.71 0.00 0.00 66.02 62.49 2qub s SER 238 CO 0.33 -0.25 1.82 1.55 1.20 0.00 0.00 173.24 177.90 2qub h PRO 239 N 4.28 0.00 -6.21 5.44 0.13 -1.79 0.13 132.00 133.98 2qub h PRO 239 Ca -0.46 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.12 2qub h PRO 239 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 2qub h PRO 239 CO 0.69 0.11 -0.61 0.95 -0.23 0.00 0.00 178.00 178.91 2qub s THR 240 N -3.53 3.73 -0.05 1.56 -4.23 -1.26 -0.66 115.64 111.21 2qub s THR 240 Ca 0.02 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 58.80 2qub s THR 240 Cb 0.08 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.94 2qub s THR 240 CO 0.61 -0.36 -0.08 -1.10 -0.54 0.00 0.00 174.62 173.15 2qub s GLN 241 N -3.69 1.23 -0.29 3.99 1.11 -0.53 -4.89 119.66 116.59 2qub s GLN 241 Ca 0.32 -0.26 -0.07 0.00 0.01 0.00 0.00 55.36 55.36 2qub s GLN 241 Cb -0.07 -1.09 0.00 0.00 -1.01 0.00 0.00 33.01 30.84 2qub s GLN 241 CO 0.21 -0.02 0.08 -0.47 0.01 0.00 0.00 175.29 175.11 2qub s TYR 242 N 0.74 3.14 -0.11 0.91 5.04 -1.26 -4.50 117.35 121.31 2qub s TYR 242 Ca -0.13 -0.89 0.03 0.00 -2.44 0.00 0.00 57.07 53.64 2qub s TYR 242 Cb -0.15 -2.26 -0.03 0.00 0.35 0.00 0.00 41.96 39.87 2qub s TYR 242 CO 0.02 -0.55 0.11 0.39 -1.34 0.00 0.00 175.55 174.18 2qub n GLU 243 N 4.88 4.72 -1.97 4.97 1.02 -1.26 -4.39 120.64 128.62 2qub n GLU 243 Ca -0.15 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.56 2qub n GLU 243 Cb 0.48 -0.73 -0.03 0.00 -0.02 0.00 0.00 31.44 31.15 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 -1.48 3.54 0.00 0.62 0.00 -1.26 -2.32 121.76 120.86 2qub s ALA 244 Ca 0.01 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2qub s ALA 244 Cb 0.02 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2qub s ALA 244 CO 0.12 -1.54 0.00 0.41 0.00 0.00 0.00 175.76 174.75 2qub n GLY 245 N 4.31 0.64 3.04 0.00 0.00 -1.26 -4.51 105.19 107.41 2qub n GLY 245 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.44 0.09 -0.02 0.00 -0.98 -4.93 105.19 96.91 2qub n GLY 246 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.57 0.00 -6.26 1.61 1.57 -1.82 -3.46 116.57 106.64 2qub h LYS 247 Ca -0.51 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.58 2qub h LYS 247 Cb 1.34 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.36 2qub h LYS 247 CO 0.53 0.68 -0.86 0.08 -0.57 0.00 0.00 179.45 179.31 2qub s VAL 248 N -2.78 2.29 -0.20 0.50 1.01 -1.26 -3.62 120.40 116.35 2qub s VAL 248 Ca 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 2qub s VAL 248 Cb 0.09 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2qub s VAL 248 CO 0.80 0.58 0.05 -0.51 0.00 0.00 0.00 175.10 176.02 2qub s ILE 249 N -0.41 4.51 -0.41 2.22 2.07 -0.82 -4.81 121.20 123.55 2qub s ILE 249 Ca 0.04 -0.13 -0.10 0.00 -1.41 0.00 0.00 60.65 59.05 2qub s ILE 249 Cb -0.12 -3.04 0.06 0.00 0.13 0.00 0.00 42.46 39.49 2qub s ILE 249 CO 0.01 0.43 0.25 0.20 -1.91 0.00 0.00 174.94 173.92 2qub s ASN 250 N 0.71 5.68 -0.13 4.50 0.01 0.27 -1.34 114.94 124.64 2qub s ASN 250 Ca 0.02 -1.35 -0.04 0.00 -0.71 0.00 0.00 52.86 50.79 2qub s ASN 250 Cb -0.13 -2.00 -0.03 0.00 0.41 0.00 0.00 41.25 39.49 2qub s ASN 250 CO 0.02 -0.50 -0.00 -0.63 -1.51 0.00 0.00 177.10 174.48 2qub s ILE 251 N 1.47 4.23 0.02 0.60 1.01 0.02 -1.76 121.20 126.78 2qub s ILE 251 Ca 0.02 -0.25 -0.28 0.00 0.00 0.00 0.00 60.65 60.14 2qub s ILE 251 Cb -0.22 -2.83 0.10 0.00 0.01 0.00 0.00 42.46 39.52 2qub s ILE 251 CO 0.04 0.53 1.24 -0.83 0.00 0.00 0.00 174.94 175.92 2qub s GLY 252 N -0.15 -0.20 -0.05 6.18 0.00 -1.26 -1.21 107.32 110.63 2qub s GLY 252 Ca 0.04 0.21 -0.14 0.00 0.00 0.00 0.00 44.72 44.84 2qub s GLY 252 CO 0.02 3.12 0.35 -0.19 0.00 0.00 0.00 173.10 176.40 2qub s TYR 253 N -2.22 3.65 0.40 1.90 2.02 -1.26 -4.50 117.35 117.33 2qub s TYR 253 Ca 0.23 0.85 0.18 0.00 -0.37 0.00 0.00 57.07 57.96 2qub s TYR 253 Cb 0.01 -2.26 1.04 0.00 -0.40 0.00 0.00 41.96 40.35 2qub s TYR 253 CO -0.01 0.56 1.95 1.05 -1.57 0.00 0.00 175.55 177.53 2qub h GLU 254 N 5.21 0.00 -0.38 -0.62 4.11 -1.03 -1.22 114.58 120.64 2qub h GLU 254 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2qub h GLU 254 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2qub h GLU 254 CO 0.64 0.23 0.00 0.27 0.07 0.00 0.00 179.01 180.22 2qub n ASN 255 N -3.98 2.01 -4.57 3.06 6.94 -1.26 -4.76 115.26 112.70 2qub n ASN 255 Ca -0.02 -2.01 -0.43 0.00 -0.02 0.00 0.00 54.58 52.10 2qub n ASN 255 Cb 0.31 -0.26 -0.05 0.00 -2.36 0.00 0.00 39.78 37.42 2qub n ASN 255 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2qub s ASP 256 N -0.98 6.50 0.53 0.53 -1.08 -0.46 -4.77 116.67 116.94 2qub s ASP 256 Ca 0.25 0.17 0.34 0.00 -0.52 0.00 0.00 52.55 52.79 2qub s ASP 256 Cb 0.13 -2.41 1.53 0.00 -1.46 0.00 0.00 42.92 40.71 2qub s ASP 256 CO 0.17 -0.86 2.02 1.55 0.52 0.00 0.00 175.17 178.56 2qub h PRO 257 N 8.76 0.00 -0.01 4.34 0.13 -1.86 -2.22 132.00 141.14 2qub h PRO 257 Ca -0.24 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.67 2qub h PRO 257 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2qub h PRO 257 CO 0.95 0.00 -0.89 0.28 -0.23 0.00 0.00 178.00 178.11 2qub h VAL 258 N 0.00 1.43 -2.57 1.56 2.07 -1.92 -3.40 116.25 113.42 2qub h VAL 258 Ca 0.00 -2.47 -0.55 0.00 0.82 0.00 0.00 66.70 64.49 2qub h VAL 258 Cb 0.38 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 2qub h VAL 258 CO 0.00 0.73 1.15 0.12 0.02 0.00 0.00 177.57 179.59 2qub s PHE 259 N -3.29 1.85 -1.41 1.57 5.36 -0.84 -1.99 117.98 119.24 2qub s PHE 259 Ca -0.05 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 2qub s PHE 259 Cb 0.09 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.79 2qub s PHE 259 CO 0.85 -3.86 0.00 0.54 -1.46 0.00 0.00 175.22 171.29 2qub n ARG 260 N 7.47 -1.14 0.18 10.12 1.74 0.03 -4.91 116.66 130.15 2qub n ARG 260 Ca 0.19 0.85 0.05 0.00 -0.77 0.00 0.00 57.85 58.17 2qub n ARG 260 Cb 0.43 -5.11 0.49 0.00 -1.02 0.00 0.00 32.46 27.25 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 0.43 1.69 -2.87 7.54 0.00 -1.31 -3.42 119.26 121.32 2qub h ALA 261 Ca -0.34 -0.14 -0.61 0.00 0.00 0.00 0.00 54.91 53.82 2qub h ALA 261 Cb 1.15 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2qub h ALA 261 CO 0.43 0.23 -0.50 -0.51 0.00 0.00 0.00 179.25 178.90 2qub s LEU 262 N -8.81 4.30 -0.58 0.00 1.43 0.17 -4.03 118.68 111.16 2qub s LEU 262 Ca -0.05 0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 2qub s LEU 262 Cb 0.16 -2.90 0.14 0.00 0.03 0.00 0.00 46.19 43.62 2qub s LEU 262 CO 0.71 0.15 0.54 -0.62 0.23 0.00 0.00 176.35 177.35 2qub s ASP 263 N -2.63 6.27 0.43 2.29 2.15 -0.23 -4.65 116.67 120.31 2qub s ASP 263 Ca 0.34 -1.93 0.00 0.00 0.43 0.00 0.00 52.55 51.40 2qub s ASP 263 Cb -0.13 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 2qub s ASP 263 CO 0.28 -0.82 0.00 0.61 -0.17 0.00 0.00 175.17 175.07 2qub n GLY 264 N 5.06 1.40 0.00 2.66 0.00 -1.26 -1.30 105.19 111.74 2qub n GLY 264 Ca -0.10 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.46 -3.16 2.61 -2.24 -1.26 -1.45 114.28 109.23 2qub n THR 265 Ca 0.00 -0.62 -0.39 0.00 -2.27 0.00 0.00 64.05 60.77 2qub n THR 265 Cb 0.00 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.03 2qub n THR 265 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2qub s SER 266 N -0.46 7.13 -0.02 3.42 0.01 -0.42 -4.93 113.70 118.44 2qub s SER 266 Ca 0.00 1.35 -0.28 0.00 1.31 0.00 0.00 55.95 58.32 2qub s SER 266 Cb 0.00 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 2qub s SER 266 CO 0.00 0.20 0.91 -0.22 0.41 0.00 0.00 173.24 174.53 2qub s LEU 267 N -0.81 4.36 0.30 2.44 2.96 -1.26 -1.07 118.68 125.60 2qub s LEU 267 Ca 0.32 1.54 0.03 0.00 -0.22 0.00 0.00 54.13 55.79 2qub s LEU 267 Cb -0.20 -3.44 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 2qub s LEU 267 CO 0.21 -0.22 0.10 0.42 -1.32 0.00 0.00 176.35 175.54 2qub s THR 268 N 0.94 0.68 0.20 3.68 -4.23 -1.26 -4.99 115.64 110.65 2qub s THR 268 Ca 0.48 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.88 2qub s THR 268 Cb -0.20 -2.62 0.12 0.00 1.34 0.00 0.00 72.50 71.14 2qub s THR 268 CO 0.25 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.41 2qub h LEU 269 N 2.21 0.62 -2.57 4.79 5.85 -1.97 -0.93 115.31 123.30 2qub h LEU 269 Ca -0.38 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.36 2qub h LEU 269 Cb 1.25 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 2qub h LEU 269 CO 0.61 0.42 0.12 -0.65 -0.34 0.00 0.00 178.44 178.60 2qub h PRO 270 N 0.75 0.00 -0.75 5.25 0.11 -1.94 -1.29 132.00 134.12 2qub h PRO 270 Ca 0.26 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.57 2qub h PRO 270 Cb 0.05 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.12 2qub h PRO 270 CO -0.12 0.00 0.53 0.77 -0.21 0.00 0.00 178.00 178.97 2qub h SER 271 N 0.00 0.11 -0.36 -2.05 0.02 -1.30 -1.15 113.55 108.81 2qub h SER 271 Ca 0.02 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2qub h SER 271 Cb 0.25 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2qub h SER 271 CO -0.00 0.05 0.00 0.18 -1.14 0.00 0.00 176.83 175.92 2qub n LEU 272 N -4.37 3.27 0.00 5.07 4.77 -0.49 -4.62 117.00 120.63 2qub n LEU 272 Ca 0.15 -1.40 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 2qub n LEU 272 Cb 0.75 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2qub n LEU 272 CO 0.36 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 2qub n GLY 273 N 1.47 5.11 3.69 -0.72 0.00 -0.44 -4.40 105.19 109.91 2qub n GLY 273 Ca 0.19 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2qub n GLY 273 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qub s VAL 274 N 3.66 4.88 -0.51 1.61 1.01 -1.25 -4.57 120.40 125.22 2qub s VAL 274 Ca 0.00 1.81 0.07 0.00 0.00 0.00 0.00 61.98 63.86 2qub s VAL 274 Cb 0.00 -4.21 0.24 0.00 0.00 0.00 0.00 36.38 32.41 2qub s VAL 274 CO 0.00 0.08 0.61 0.00 0.00 0.00 0.00 175.10 175.79 2qub n HIS 275 N 4.69 1.53 -0.78 5.22 1.44 -1.25 -4.72 115.22 121.35 2qub n HIS 275 Ca 0.05 -3.84 0.08 0.00 -2.01 0.00 0.00 57.72 52.00 2qub n HIS 275 Cb 0.50 -0.43 0.25 0.00 0.12 0.00 0.00 29.99 30.43 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 1.24 3.85 -4.75 4.39 2.03 -1.26 -4.85 116.55 117.21 2qub n ASP 276 Ca 0.25 -2.75 -0.42 0.00 0.52 0.00 0.00 54.79 52.40 2qub n ASP 276 Cb 0.47 -0.49 -0.02 0.00 -0.72 0.00 0.00 41.12 40.36 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 -2.36 3.76 0.28 -1.67 0.00 -1.26 -4.69 121.76 115.81 2qub s ALA 277 Ca 0.39 1.56 -0.29 0.00 0.00 0.00 0.00 51.96 53.62 2qub s ALA 277 Cb 0.30 -3.65 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 2qub s ALA 277 CO 0.12 -0.96 1.09 -1.25 0.00 0.00 0.00 175.76 174.76 2qub s PRO 278 N -0.34 4.64 -0.03 0.00 0.04 -1.26 -5.03 135.00 133.02 2qub s PRO 278 Ca 0.64 1.79 -0.01 0.00 0.04 0.00 0.00 61.00 63.47 2qub s PRO 278 Cb -0.48 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 2qub s PRO 278 CO 0.46 0.22 0.04 -1.01 0.04 0.00 0.00 177.00 176.75 2qub s HIS 279 N -1.17 3.20 0.38 0.56 3.76 -1.26 -5.03 115.29 115.73 2qub s HIS 279 Ca 0.44 0.18 0.05 0.00 -0.15 0.00 0.00 55.06 55.58 2qub s HIS 279 Cb -0.32 -1.74 0.75 0.00 1.11 0.00 0.00 32.58 32.38 2qub s HIS 279 CO 0.41 0.51 2.02 1.79 -0.85 0.00 0.00 174.74 178.62 2qub h THR 280 N 3.63 1.14 -0.01 1.30 1.35 -2.02 -2.20 112.91 116.10 2qub h THR 280 Ca -0.50 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2qub h THR 280 Cb 1.19 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 2qub h THR 280 CO 0.58 0.14 -0.07 -1.54 -0.25 0.00 0.00 175.52 174.38 2qub n SER 281 N -4.44 0.74 -4.62 5.36 3.41 -1.26 -4.94 113.62 107.86 2qub n SER 281 Ca 0.04 -0.98 -0.28 0.00 -0.26 0.00 0.00 58.87 57.39 2qub n SER 281 Cb 0.07 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.23 3.09 -0.60 7.33 0.00 -0.83 -0.56 121.76 127.96 2qub s ALA 282 Ca 0.35 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.75 2qub s ALA 282 Cb 0.21 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.40 2qub s ALA 282 CO 0.41 0.58 1.16 0.95 0.00 0.00 0.00 175.76 178.87 2qub s THR 283 N -1.45 4.04 -1.71 0.00 -4.23 -0.72 -4.79 115.64 106.78 2qub s THR 283 Ca 0.24 0.73 0.25 0.00 -1.18 0.00 0.00 61.69 61.73 2qub s THR 283 Cb -0.10 -4.73 0.18 0.00 1.34 0.00 0.00 72.50 69.19 2qub s THR 283 CO 0.16 -1.38 1.45 0.59 -0.54 0.00 0.00 174.62 174.90 2qub n ASN 284 N 8.41 1.15 -2.36 3.99 3.02 -1.26 -4.43 115.26 123.78 2qub n ASN 284 Ca 0.07 -0.94 -0.02 0.00 -0.03 0.00 0.00 54.58 53.65 2qub n ASN 284 Cb 0.49 0.23 0.05 0.00 -0.61 0.00 0.00 39.78 39.94 2qub n ASN 284 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qub n ASN 285 N -0.65 1.95 -4.64 6.41 3.02 -1.26 -4.70 115.26 115.39 2qub n ASN 285 Ca 0.11 -2.35 -0.38 0.00 -0.03 0.00 0.00 54.58 51.92 2qub n ASN 285 Cb 0.37 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 39.02 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 -3.17 5.23 -0.17 2.41 1.01 -1.26 -1.54 121.20 123.71 2qub s ILE 286 Ca 0.32 0.50 -0.08 0.00 0.00 0.00 0.00 60.65 61.39 2qub s ILE 286 Cb 0.35 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 2qub s ILE 286 CO -0.05 0.23 0.11 -0.69 0.00 0.00 0.00 174.94 174.53 2qub s VAL 287 N 1.60 5.19 -0.84 2.92 1.01 0.80 -0.44 120.40 130.64 2qub s VAL 287 Ca 0.14 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 2qub s VAL 287 Cb -0.15 -3.33 0.12 0.00 0.00 0.00 0.00 36.38 33.01 2qub s VAL 287 CO 0.08 0.49 1.06 0.21 0.00 0.00 0.00 175.10 176.94 2qub s ASN 288 N 0.03 6.49 -1.18 3.32 3.84 -1.26 -1.15 114.94 125.04 2qub s ASN 288 Ca 0.08 -1.76 -0.20 0.00 0.21 0.00 0.00 52.86 51.19 2qub s ASN 288 Cb -0.12 -2.40 0.07 0.00 -0.55 0.00 0.00 41.25 38.26 2qub s ASN 288 CO -0.00 -1.15 1.60 0.12 -2.79 0.00 0.00 177.10 174.88 2qub s PHE 289 N 2.99 2.71 0.43 0.43 5.36 -0.37 -4.73 117.98 124.81 2qub s PHE 289 Ca 0.29 -1.32 0.03 0.00 -0.96 0.00 0.00 56.93 54.96 2qub s PHE 289 Cb -0.09 -4.71 0.03 0.00 -0.34 0.00 0.00 43.02 37.91 2qub s PHE 289 CO -0.04 -1.84 0.22 0.27 -1.46 0.00 0.00 175.22 172.37 2qub n ASN 290 N 8.46 2.67 0.08 6.13 0.23 -1.26 -0.42 115.26 131.15 2qub n ASN 290 Ca 0.42 -2.63 0.04 0.00 -0.53 0.00 0.00 54.58 51.88 2qub n ASN 290 Cb 0.48 0.08 0.46 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 0.69 0.32 0.05 0.53 5.19 -1.92 -0.83 116.42 120.45 2qub h ASP 291 Ca -0.30 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.08 2qub h ASP 291 Cb 1.03 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.46 2qub h ASP 291 CO 0.49 0.28 -0.02 -0.74 -3.12 0.00 0.00 179.24 176.12 2qub h HIS 292 N 0.37 -0.06 -0.70 4.55 2.76 -1.94 -2.97 115.15 117.15 2qub h HIS 292 Ca 0.09 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2qub h HIS 292 Cb 0.05 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 2qub h HIS 292 CO 0.00 0.34 0.45 -0.92 -1.30 0.00 0.00 177.93 176.51 2qub h TYR 293 N -0.49 0.89 0.00 5.26 3.20 -1.73 -2.37 116.97 121.75 2qub h TYR 293 Ca -0.01 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2qub h TYR 293 Cb 0.44 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2qub h TYR 293 CO 0.06 0.58 -0.20 0.00 -1.64 0.00 0.00 178.16 176.96 2qub h ALA 294 N 1.54 1.02 -2.32 1.82 0.00 -1.19 -3.45 119.26 116.68 2qub h ALA 294 Ca 0.26 -0.19 -0.60 0.00 0.00 0.00 0.00 54.91 54.38 2qub h ALA 294 Cb -0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.57 2qub h ALA 294 CO -0.05 0.25 0.34 0.45 0.00 0.00 0.00 179.25 180.24 2qub s SER 295 N -6.15 6.67 0.24 0.00 0.15 -0.89 -4.94 113.70 108.77 2qub s SER 295 Ca 0.01 0.74 -0.05 0.00 0.70 0.00 0.00 55.95 57.34 2qub s SER 295 Cb 0.10 -2.39 0.26 0.00 -1.71 0.00 0.00 66.02 62.28 2qub s SER 295 CO 0.63 -0.52 1.80 0.44 1.20 0.00 0.00 173.24 176.78 2qub h ASP 296 N 7.97 0.98 -0.05 5.45 3.32 -1.87 -2.86 116.42 129.36 2qub h ASP 296 Ca -0.25 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.64 2qub h ASP 296 Cb 1.10 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 2qub h ASP 296 CO 0.85 0.89 0.03 0.00 -1.72 0.00 0.00 179.24 179.29 2qub h ALA 297 N 1.24 0.07 -0.86 3.45 0.00 -1.95 -2.41 119.26 118.80 2qub h ALA 297 Ca 0.23 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2qub h ALA 297 Cb 0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 2qub h ALA 297 CO -0.01 -0.41 0.56 -1.49 0.00 0.00 0.00 179.25 177.89 2qub h TRP 298 N 0.03 0.96 -0.30 0.00 4.06 -1.87 -2.62 115.95 116.21 2qub h TRP 298 Ca 0.02 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.99 2qub h TRP 298 Cb 0.04 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 27.89 2qub h TRP 298 CO -0.06 0.49 0.00 0.09 -3.56 0.00 0.00 178.44 175.40 2qub n ASN 299 N -4.49 2.47 0.25 -3.49 3.02 -0.94 -2.66 115.26 109.42 2qub n ASN 299 Ca 0.13 -2.21 0.14 0.00 -0.03 0.00 0.00 54.58 52.61 2qub n ASN 299 Cb 0.22 -0.40 0.54 0.00 -0.61 0.00 0.00 39.78 39.53 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 1.90 0.00 -9.85 3.41 3.38 -1.15 -3.44 115.31 109.56 2qub h LEU 300 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 2qub h LEU 300 Cb 0.81 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2qub h LEU 300 CO 0.11 0.10 0.16 -0.76 0.09 0.00 0.00 178.44 178.13 2qub s LEU 301 N -6.43 4.36 0.23 1.67 1.43 -1.09 -5.03 118.68 113.83 2qub s LEU 301 Ca 0.01 1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 54.33 2qub s LEU 301 Cb 0.09 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.58 2qub s LEU 301 CO 0.60 0.03 1.35 -2.16 0.23 0.00 0.00 176.35 176.39 2qub s PRO 302 N -1.92 4.35 0.08 1.29 0.04 -1.26 -4.95 135.00 132.63 2qub s PRO 302 Ca 0.44 2.15 -0.31 0.00 0.04 0.00 0.00 61.00 63.32 2qub s PRO 302 Cb -0.17 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.12 2qub s PRO 302 CO 0.22 -0.29 1.76 0.12 0.04 0.00 0.00 177.00 178.84 2qub s PHE 303 N -0.09 2.16 -0.17 0.56 5.36 -1.26 -4.80 117.98 119.74 2qub s PHE 303 Ca 0.56 0.09 -0.29 0.00 -0.96 0.00 0.00 56.93 56.33 2qub s PHE 303 Cb -0.38 -4.07 0.12 0.00 -0.34 0.00 0.00 43.02 38.34 2qub s PHE 303 CO 0.41 -4.44 0.95 0.45 -1.46 0.00 0.00 175.22 171.14 2qub s SER 304 N 2.81 -0.43 0.48 6.13 0.15 -1.26 -4.03 113.70 117.55 2qub s SER 304 Ca 0.78 0.54 0.33 0.00 0.70 0.00 0.00 55.95 58.30 2qub s SER 304 Cb -0.42 0.45 1.63 0.00 -1.71 0.00 0.00 66.02 65.97 2qub s SER 304 CO 0.35 -0.35 1.99 -0.29 1.20 0.00 0.00 173.24 176.14 2qub h ILE 305 N 2.82 0.00 0.00 6.45 2.10 -1.82 -1.74 117.51 125.31 2qub h ILE 305 Ca -0.21 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.59 2qub h ILE 305 Cb 1.16 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.84 2qub h ILE 305 CO 0.29 0.00 -0.19 0.18 -1.08 0.00 0.00 178.15 177.35 2qub n LEU 306 N -2.71 0.68 -4.39 2.19 4.77 -1.26 -4.64 117.00 111.64 2qub n LEU 306 Ca -0.01 0.45 -0.45 0.00 -0.03 0.00 0.00 56.01 55.98 2qub n LEU 306 Cb 0.13 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 2qub n LEU 306 CO 0.18 -0.11 0.54 0.21 -1.33 0.00 0.00 177.39 176.88 2qub s ASN 307 N -4.22 6.31 0.22 -1.43 3.84 -0.66 -4.98 114.94 114.03 2qub s ASN 307 Ca 0.10 -1.61 -0.07 0.00 0.21 0.00 0.00 52.86 51.49 2qub s ASN 307 Cb 0.14 -2.32 0.32 0.00 -0.55 0.00 0.00 41.25 38.83 2qub s ASN 307 CO 0.63 -1.09 1.78 0.40 -2.79 0.00 0.00 177.10 176.03 2qub h ILE 308 N 5.80 0.87 -1.08 -5.21 1.08 -1.83 -1.69 117.51 115.46 2qub h ILE 308 Ca -0.18 -0.21 0.29 0.00 -0.39 0.00 0.00 64.86 64.37 2qub h ILE 308 Cb 1.07 0.20 -0.07 0.00 -3.07 0.00 0.00 36.82 34.95 2qub h ILE 308 CO 1.08 0.11 0.73 -0.65 -0.69 0.00 0.00 178.15 178.73 2qub h PRO 309 N 0.61 0.20 0.00 2.37 0.11 -1.94 0.13 132.00 133.48 2qub h PRO 309 Ca 0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.44 2qub h PRO 309 Cb 0.33 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.40 2qub h PRO 309 CO -0.25 0.13 0.00 1.79 -0.21 0.00 0.00 178.00 179.46 2qub h THR 310 N 0.21 0.00 0.00 -1.15 1.35 -1.60 -2.29 112.91 109.43 2qub h THR 310 Ca 0.57 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 66.23 2qub h THR 310 Cb 1.81 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2qub h THR 310 CO -0.16 0.00 0.00 0.79 -0.25 0.00 0.00 175.52 175.90 2qub n TRP 311 N -2.63 0.48 -0.30 4.73 7.02 0.03 -2.98 117.44 123.79 2qub n TRP 311 Ca -0.00 0.20 0.14 0.00 -1.02 0.00 0.00 57.50 56.81 2qub n TRP 311 Cb 0.17 -0.82 0.30 0.00 -2.42 0.00 0.00 31.31 28.54 2qub n TRP 311 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2qub h LEU 312 N 0.00 0.03 0.00 -0.99 5.85 -1.59 -0.58 115.31 118.04 2qub h LEU 312 Ca 0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2qub h LEU 312 Cb 0.29 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2qub h LEU 312 CO 0.00 -0.15 0.00 -1.20 -0.34 0.00 0.00 178.44 176.75 2qub n SER 313 N -5.21 0.00 0.08 1.25 7.64 -1.16 -2.68 113.62 113.53 2qub n SER 313 Ca 0.22 0.50 0.12 0.00 1.01 0.00 0.00 58.87 60.71 2qub n SER 313 Cb 0.70 -0.50 0.05 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.50 0.71 -1.81 1.43 -0.00 -0.23 -4.70 115.22 109.12 2qub n HIS 314 Ca 0.03 0.21 -0.41 0.00 -0.00 0.00 0.00 57.72 57.54 2qub n HIS 314 Cb 0.14 -0.78 -0.01 0.00 -0.00 0.00 0.00 29.99 29.34 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 -4.77 4.35 0.41 0.27 1.43 -1.09 -4.89 118.68 114.39 2qub s LEU 315 Ca 0.02 2.92 0.12 0.00 -1.03 0.00 0.00 54.13 56.17 2qub s LEU 315 Cb 0.12 -3.64 0.97 0.00 0.03 0.00 0.00 46.19 43.67 2qub s LEU 315 CO 0.77 -0.88 1.96 -0.65 0.23 0.00 0.00 176.35 177.78 2qub h PRO 316 N 4.64 0.48 0.00 1.29 0.11 -1.94 -1.85 132.00 134.73 2qub h PRO 316 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2qub h PRO 316 Cb 1.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2qub h PRO 316 CO 0.77 0.32 -0.18 0.27 -0.21 0.00 0.00 178.00 178.97 2qub h PHE 317 N 0.49 0.00 -0.31 0.65 -5.15 -1.92 -1.08 116.94 109.62 2qub h PHE 317 Ca 0.31 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.96 2qub h PHE 317 Cb 0.55 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.71 2qub h PHE 317 CO -0.00 0.18 -0.30 0.74 -2.00 0.00 0.00 178.31 176.93 2qub h PHE 318 N 0.00 0.75 0.09 6.09 0.04 -1.70 -1.55 116.94 120.67 2qub h PHE 318 Ca -0.00 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 60.58 2qub h PHE 318 Cb 0.34 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.31 2qub h PHE 318 CO 0.00 0.88 -0.05 1.88 -0.60 0.00 0.00 178.31 180.42 2qub h TYR 319 N 0.56 -0.12 0.76 -0.55 -1.99 -1.35 -1.22 116.97 113.06 2qub h TYR 319 Ca 0.07 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.76 2qub h TYR 319 Cb 0.79 0.04 0.01 0.00 2.00 0.00 0.00 36.73 39.57 2qub h TYR 319 CO 0.04 0.14 -0.36 0.37 -0.00 0.00 0.00 178.16 178.35 2qub h GLN 320 N -0.37 -0.98 -0.09 4.88 -0.00 -1.19 -1.83 115.11 115.53 2qub h GLN 320 Ca -0.01 0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 58.67 2qub h GLN 320 Cb 0.31 0.22 -0.00 0.00 0.00 0.00 0.00 27.48 28.02 2qub h GLN 320 CO 0.02 -0.65 -0.06 0.22 0.00 0.00 0.00 178.83 178.36 2qub h ASP 321 N -1.03 0.21 -0.08 -0.69 3.58 -1.38 -2.79 116.42 114.24 2qub h ASP 321 Ca -0.10 -0.45 -0.01 0.00 0.42 0.00 0.00 57.03 56.89 2qub h ASP 321 Cb 0.78 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 2qub h ASP 321 CO 0.17 0.61 -0.00 1.23 -2.88 0.00 0.00 179.24 178.37 2qub h GLY 322 N -0.19 0.16 2.00 -0.78 0.00 -1.30 -2.88 103.07 100.07 2qub h GLY 322 Ca 0.02 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 2qub h GLY 322 CO 0.02 0.11 -0.43 1.41 0.00 0.00 0.00 176.54 177.65 2qub h LEU 323 N -0.14 0.00 -0.99 3.11 3.38 -1.44 -2.06 115.31 117.18 2qub h LEU 323 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2qub h LEU 323 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2qub h LEU 323 CO 0.00 0.43 -0.23 0.24 0.09 0.00 0.00 178.44 178.97 2qub h MET 324 N 0.00 0.46 -0.22 1.13 2.86 -1.50 -1.03 114.93 116.63 2qub h MET 324 Ca -0.00 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 2qub h MET 324 Cb 0.99 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 2qub h MET 324 CO 0.06 0.66 -0.23 0.00 1.06 0.00 0.00 176.91 178.45 2qub h ARG 325 N 0.41 0.40 -0.03 1.72 3.08 -1.16 -0.46 114.38 118.33 2qub h ARG 325 Ca 0.06 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2qub h ARG 325 Cb 0.63 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 2qub h ARG 325 CO 0.04 0.61 0.01 0.28 -1.07 0.00 0.00 179.97 179.84 2qub h VAL 326 N 0.36 1.20 -0.93 2.04 2.07 -1.14 -2.02 116.25 117.83 2qub h VAL 326 Ca 0.06 -0.58 0.10 0.00 0.82 0.00 0.00 66.70 67.09 2qub h VAL 326 Cb 0.61 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.83 2qub h VAL 326 CO 0.04 0.16 0.57 0.25 0.02 0.00 0.00 177.57 178.61 2qub h LEU 327 N -0.18 0.84 -1.39 2.57 5.85 -0.92 -2.38 115.31 119.70 2qub h LEU 327 Ca 0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2qub h LEU 327 Cb 0.25 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2qub h LEU 327 CO 0.00 0.48 0.00 0.59 -0.34 0.00 0.00 178.44 179.17 2qub n ASN 328 N -4.65 2.05 -4.77 1.25 5.03 -0.21 -4.86 115.26 109.11 2qub n ASN 328 Ca 0.16 -1.85 -0.40 0.00 0.87 0.00 0.00 54.58 53.36 2qub n ASN 328 Cb 0.29 -0.19 0.01 0.00 -1.02 0.00 0.00 39.78 38.87 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 -1.34 5.98 0.60 6.41 0.15 -0.77 -4.89 113.70 119.84 2qub s SER 329 Ca 0.31 2.84 0.33 0.00 0.70 0.00 0.00 55.95 60.13 2qub s SER 329 Cb 0.17 -2.65 1.94 0.00 -1.71 0.00 0.00 66.02 63.77 2qub s SER 329 CO 0.24 -1.10 2.27 -0.08 1.20 0.00 0.00 173.24 175.77 2qub h GLU 330 N 2.39 0.00 -0.40 5.44 4.81 -1.90 -2.15 114.58 122.76 2qub h GLU 330 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2qub h GLU 330 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2qub h GLU 330 CO 0.61 0.01 0.00 1.19 -0.73 0.00 0.00 179.01 180.09 2qub n PHE 331 N -3.66 0.52 -0.33 0.92 3.72 -1.26 -4.62 117.46 112.76 2qub n PHE 331 Ca -0.03 -0.26 0.06 0.00 -0.05 0.00 0.00 57.45 57.18 2qub n PHE 331 Cb 0.09 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.85 2qub n PHE 331 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2qub h TYR 332 N 4.22 0.97 0.00 1.38 3.20 -1.66 -1.34 116.97 123.74 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 0.93 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.91 2qub h TYR 332 CO 0.26 0.34 0.00 -1.13 -1.64 0.00 0.00 178.16 175.99 2qub n SER 333 N -4.72 0.00 -0.42 -2.11 3.41 -1.26 -1.39 113.62 107.12 2qub n SER 333 Ca 0.17 0.03 0.12 0.00 -0.26 0.00 0.00 58.87 58.93 2qub n SER 333 Cb 0.37 -0.26 0.10 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.26 1.73 -4.91 1.04 4.77 -0.51 -4.69 117.00 113.17 2qub n LEU 334 Ca 0.07 -0.61 -0.27 0.00 -0.03 0.00 0.00 56.01 55.17 2qub n LEU 334 Cb 0.10 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2qub n LEU 334 CO 0.10 0.32 0.31 0.42 -1.33 0.00 0.00 177.39 177.21 2qub s THR 335 N -2.50 4.98 0.26 -5.08 -4.23 -0.49 -4.96 115.64 103.62 2qub s THR 335 Ca 0.20 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.75 2qub s THR 335 Cb 0.18 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 70.15 2qub s THR 335 CO 0.56 -0.61 -0.01 -1.81 -0.54 0.00 0.00 174.62 172.21 2qub s ASP 336 N -3.78 2.16 0.29 3.99 1.01 -1.26 -1.45 116.67 117.62 2qub s ASP 336 Ca 0.45 -1.23 0.04 0.00 0.71 0.00 0.00 52.55 52.51 2qub s ASP 336 Cb -0.10 -0.05 0.73 0.00 1.01 0.00 0.00 42.92 44.51 2qub s ASP 336 CO 0.37 -0.48 1.68 0.50 0.21 0.00 0.00 175.17 177.46 2qub h LYS 337 N 2.37 0.31 -0.43 8.23 3.64 -1.73 -1.37 116.57 127.59 2qub h LYS 337 Ca -0.39 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.94 2qub h LYS 337 Cb 1.23 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 2qub h LYS 337 CO 0.66 0.21 0.02 -0.25 -2.27 0.00 0.00 179.45 177.82 2qub n ASP 338 N -5.11 4.66 -4.67 4.20 8.00 -1.26 -4.08 116.55 118.28 2qub n ASP 338 Ca 0.22 -3.04 -0.43 0.00 0.71 0.00 0.00 54.79 52.25 2qub n ASP 338 Cb 0.68 -0.62 -0.01 0.00 -0.02 0.00 0.00 41.12 41.15 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 -0.07 2.35 -4.62 -2.24 7.64 -0.52 -4.66 113.62 111.50 2qub n SER 339 Ca 0.26 1.20 -0.43 0.00 1.01 0.00 0.00 58.87 60.91 2qub n SER 339 Cb 1.07 -1.43 -0.02 0.00 -1.01 0.00 0.00 64.21 62.82 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 -1.09 4.24 -0.12 0.44 2.01 -1.25 -4.45 115.64 115.41 2qub s THR 340 Ca 0.56 1.36 0.01 0.00 0.31 0.00 0.00 61.69 63.94 2qub s THR 340 Cb -0.60 -4.37 0.02 0.00 0.01 0.00 0.00 72.50 67.55 2qub s THR 340 CO 0.61 -0.67 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.10 2qub s ILE 341 N 4.31 1.54 -0.28 1.82 1.01 -0.59 -1.18 121.20 127.82 2qub s ILE 341 Ca 0.51 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 60.43 2qub s ILE 341 Cb -0.12 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 2qub s ILE 341 CO 0.24 0.45 0.12 -0.63 0.00 0.00 0.00 174.94 175.12 2qub s ILE 342 N 1.14 4.51 -0.26 2.92 -1.09 0.75 -0.14 121.20 129.03 2qub s ILE 342 Ca -0.03 -0.30 -0.08 0.00 -2.23 0.00 0.00 60.65 58.01 2qub s ILE 342 Cb -0.14 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 2qub s ILE 342 CO -0.05 0.18 0.09 -0.69 -1.23 0.00 0.00 174.94 173.25 2qub s VAL 343 N 1.62 4.42 -0.12 2.92 1.01 -0.30 -0.91 120.40 129.03 2qub s VAL 343 Ca 0.05 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 2qub s VAL 343 Cb -0.16 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2qub s VAL 343 CO 0.05 0.28 1.57 -0.55 0.00 0.00 0.00 175.10 176.46 2qub s SER 344 N 1.62 6.64 -0.27 3.32 0.15 -0.42 -1.23 113.70 123.51 2qub s SER 344 Ca 0.06 1.98 0.19 0.00 0.70 0.00 0.00 55.95 58.88 2qub s SER 344 Cb -0.16 -2.53 0.49 0.00 -1.71 0.00 0.00 66.02 62.12 2qub s SER 344 CO 0.05 -0.98 1.11 0.59 1.20 0.00 0.00 173.24 175.20 2qub n ASN 345 N 7.38 2.19 -4.86 5.45 3.02 0.44 -4.71 115.26 124.16 2qub n ASN 345 Ca 0.17 -2.41 -0.31 0.00 -0.03 0.00 0.00 54.58 51.99 2qub n ASN 345 Cb 0.44 -0.46 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 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 -3.70 3.44 0.87 3.41 1.43 -1.20 -4.31 118.68 118.63 2qub s LEU 346 Ca 0.32 1.44 -0.12 0.00 -1.03 0.00 0.00 54.13 54.73 2qub s LEU 346 Cb 0.35 -4.43 0.12 0.00 0.03 0.00 0.00 46.19 42.26 2qub s LEU 346 CO -0.02 -0.72 1.13 -0.94 0.23 0.00 0.00 176.35 176.03 2qub s SER 347 N -3.68 3.84 0.58 2.29 1.04 -1.26 -4.84 113.70 111.66 2qub s SER 347 Ca 0.56 1.03 0.35 0.00 0.48 0.00 0.00 55.95 58.37 2qub s SER 347 Cb -0.10 -1.64 1.69 0.00 0.10 0.00 0.00 66.02 66.07 2qub s SER 347 CO 0.43 -2.35 2.11 0.78 0.98 0.00 0.00 173.24 175.19 2qub h ASN 348 N -1.36 0.00 0.07 7.02 2.35 -1.20 -1.62 115.58 120.84 2qub h ASN 348 Ca -0.49 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.14 2qub h ASN 348 Cb 1.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 2qub h ASN 348 CO 0.62 0.04 -0.38 0.58 -1.65 0.00 0.00 177.43 176.64 2qub h VAL 349 N 0.00 1.30 0.00 2.81 2.07 -1.84 -3.36 116.25 117.24 2qub h VAL 349 Ca -0.00 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.02 2qub h VAL 349 Cb 0.33 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2qub h VAL 349 CO 0.00 0.46 -1.35 0.35 0.02 0.00 0.00 177.57 177.06 2qub n THR 350 N -4.04 0.00 -0.18 2.57 -2.24 -1.10 -4.69 114.28 104.59 2qub n THR 350 Ca -0.01 -0.22 0.10 0.00 -2.27 0.00 0.00 64.05 61.64 2qub n THR 350 Cb 0.48 0.34 0.41 0.00 -2.10 0.00 0.00 70.33 69.46 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 0.61 -0.00 -0.78 2.43 -1.44 -1.21 114.38 113.98 2qub h ARG 351 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2qub h ARG 351 Cb 0.41 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2qub h ARG 351 CO 0.00 0.40 -0.06 0.41 -1.51 0.00 0.00 179.97 179.22 2qub n GLY 352 N -1.47 -0.82 0.00 2.80 0.00 -1.26 -4.09 105.19 100.35 2qub n GLY 352 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.80 0.36 -3.95 1.61 0.23 -0.56 -5.03 115.26 107.12 2qub n ASN 353 Ca 0.18 -1.17 -0.25 0.00 -0.53 0.00 0.00 54.58 52.81 2qub n ASN 353 Cb 0.24 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 37.78 2qub n ASN 353 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2qub s THR 354 N -0.17 0.99 -0.02 5.53 2.01 -0.60 -5.10 115.64 118.27 2qub s THR 354 Ca 0.00 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 2qub s THR 354 Cb 0.00 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 2qub s THR 354 CO 0.00 0.34 0.97 0.26 -0.69 0.00 0.00 174.62 175.50 2qub s TRP 355 N 1.12 3.63 -0.29 4.92 0.52 -1.26 -4.51 118.94 123.06 2qub s TRP 355 Ca -0.06 1.66 -0.29 0.00 0.02 0.00 0.00 56.10 57.43 2qub s TRP 355 Cb -0.14 -3.12 0.01 0.00 -1.15 0.00 0.00 33.47 29.07 2qub s TRP 355 CO -0.01 -0.05 1.04 0.08 0.02 0.00 0.00 176.95 178.03 2qub s VAL 356 N 1.21 4.59 0.20 4.03 1.01 0.32 -4.90 120.40 126.87 2qub s VAL 356 Ca 0.51 1.80 -0.17 0.00 0.00 0.00 0.00 61.98 64.12 2qub s VAL 356 Cb -0.20 -4.36 0.02 0.00 0.00 0.00 0.00 36.38 31.84 2qub s VAL 356 CO 0.26 -0.35 0.52 -1.83 0.00 0.00 0.00 175.10 173.69 2qub s GLU 357 N 3.44 1.40 -0.96 2.72 -1.05 -1.26 -1.09 118.70 121.90 2qub s GLU 357 Ca 0.44 -0.90 -0.21 0.00 -0.15 0.00 0.00 54.97 54.15 2qub s GLU 357 Cb -0.13 0.52 0.09 0.00 -0.44 0.00 0.00 34.13 34.16 2qub s GLU 357 CO 0.12 -0.59 1.28 0.34 0.95 0.00 0.00 175.26 177.36 2qub s ASP 358 N -2.89 6.53 0.50 0.83 2.15 -1.26 -4.79 116.67 117.75 2qub s ASP 358 Ca 0.10 -1.65 0.29 0.00 0.43 0.00 0.00 52.55 51.72 2qub s ASP 358 Cb -0.01 -2.49 1.08 0.00 -0.30 0.00 0.00 42.92 41.20 2qub s ASP 358 CO -0.02 -1.33 1.88 -0.07 -0.17 0.00 0.00 175.17 175.47 2qub h LEU 359 N 11.71 0.00 2.41 -1.34 3.38 -1.98 -3.47 115.31 126.02 2qub h LEU 359 Ca 0.14 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.72 2qub h LEU 359 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 2qub h LEU 359 CO 1.27 0.07 -0.52 -3.20 0.09 0.00 0.00 178.44 176.15 2qub n ASN 360 N -3.17 -5.60 -4.74 -0.43 4.05 -1.26 -4.94 115.26 99.17 2qub n ASN 360 Ca 0.01 -0.06 -0.41 0.00 0.45 0.00 0.00 54.58 54.57 2qub n ASN 360 Cb 0.38 -4.64 -0.03 0.00 1.23 0.00 0.00 39.78 36.72 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 -5.23 4.49 -1.40 1.20 3.52 -1.26 -3.92 118.95 116.35 2qub s ARG 361 Ca 0.08 1.91 -0.04 0.00 -0.13 0.00 0.00 55.73 57.55 2qub s ARG 361 Cb -0.04 -3.22 0.03 0.00 -1.56 0.00 0.00 34.95 30.16 2qub s ARG 361 CO 0.10 -0.09 0.68 0.09 -0.81 0.00 0.00 175.30 175.28 2qub n ASN 362 N 2.32 -1.77 -3.50 -2.12 5.03 -1.26 -4.95 115.26 109.00 2qub n ASN 362 Ca 0.04 -0.88 -0.12 0.00 0.87 0.00 0.00 54.58 54.49 2qub n ASN 362 Cb 0.44 -3.66 -0.03 0.00 -1.02 0.00 0.00 39.78 35.51 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 -3.66 -1.40 0.72 5.41 0.00 -1.25 -4.86 121.76 116.72 2qub s ALA 363 Ca 0.18 0.40 -0.14 0.00 0.00 0.00 0.00 51.96 52.40 2qub s ALA 363 Cb -0.09 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.80 2qub s ALA 363 CO 0.84 -0.69 1.15 -1.21 0.00 0.00 0.00 175.76 175.86 2qub s GLU 364 N -3.49 2.33 0.19 0.00 2.02 -1.26 -4.90 118.70 113.59 2qub s GLU 364 Ca 0.00 1.53 -0.32 0.00 0.02 0.00 0.00 54.97 56.20 2qub s GLU 364 Cb -0.00 -1.88 -0.12 0.00 0.10 0.00 0.00 34.13 32.23 2qub s GLU 364 CO -0.10 -1.64 1.72 2.41 0.02 0.00 0.00 175.26 177.67 2qub n THR 365 N -2.79 0.06 -2.09 3.63 -1.04 -1.26 -4.95 114.28 105.84 2qub n THR 365 Ca 0.12 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.78 2qub n THR 365 Cb 0.51 -1.94 0.01 0.00 -1.82 0.00 0.00 70.33 67.09 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 1.41 2.94 0.21 -1.42 3.76 -1.26 -5.08 115.29 115.84 2qub s HIS 366 Ca 0.77 1.52 -0.05 0.00 -0.15 0.00 0.00 55.06 57.15 2qub s HIS 366 Cb -0.53 -3.05 -0.03 0.00 1.11 0.00 0.00 32.58 30.09 2qub s HIS 366 CO 0.34 -1.16 0.24 -1.54 -0.85 0.00 0.00 174.74 171.77 2qub s SER 367 N -2.62 0.08 0.00 1.40 1.04 -1.26 -5.13 113.70 107.22 2qub s SER 367 Ca 0.65 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2qub s SER 367 Cb -0.17 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2qub s SER 367 CO 0.35 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2qub n GLY 368 N -0.28 -2.23 3.74 7.32 0.00 -1.26 -4.61 105.19 107.87 2qub n GLY 368 Ca -0.00 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.75 2.23 -0.09 1.61 0.04 -1.26 -4.80 135.00 131.98 2qub s PRO 369 Ca 0.00 1.44 0.02 0.00 0.04 0.00 0.00 61.00 62.50 2qub s PRO 369 Cb 0.00 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 2qub s PRO 369 CO 0.00 -1.70 -0.15 0.99 0.04 0.00 0.00 177.00 176.18 2qub s THR 370 N -2.46 2.90 -0.18 1.26 2.01 -0.69 -3.92 115.64 114.55 2qub s THR 370 Ca 0.67 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.87 2qub s THR 370 Cb -0.22 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 2qub s THR 370 CO 0.49 0.56 0.00 -0.36 -0.69 0.00 0.00 174.62 174.62 2qub s PHE 371 N -0.13 3.08 -0.18 4.92 0.08 -0.33 -0.55 117.98 124.87 2qub s PHE 371 Ca -0.02 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.74 2qub s PHE 371 Cb -0.14 -2.05 0.01 0.00 -0.57 0.00 0.00 43.02 40.27 2qub s PHE 371 CO 0.04 -0.10 -0.17 0.42 -0.10 0.00 0.00 175.22 175.31 2qub s ILE 372 N 0.70 2.37 -0.29 0.64 1.01 -0.29 -0.18 121.20 125.16 2qub s ILE 372 Ca 0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 2qub s ILE 372 Cb -0.14 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.32 2qub s ILE 372 CO 0.02 0.52 0.07 -0.63 0.00 0.00 0.00 174.94 174.92 2qub s ILE 373 N 1.25 3.97 0.00 2.92 -1.09 -0.09 -1.02 121.20 127.14 2qub s ILE 373 Ca 0.03 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.81 2qub s ILE 373 Cb -0.14 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 2qub s ILE 373 CO -0.09 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 2qub n GLY 374 N 4.87 -1.42 3.77 6.18 0.00 0.87 -1.30 105.19 118.15 2qub n GLY 374 Ca -0.15 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.13 4.31 0.00 1.61 1.04 -1.26 -4.67 113.70 113.61 2qub s SER 375 Ca 0.00 -1.35 0.18 0.00 0.48 0.00 0.00 55.95 55.26 2qub s SER 375 Cb 0.00 0.10 1.02 0.00 0.10 0.00 0.00 66.02 67.23 2qub s SER 375 CO 0.00 -0.78 1.66 0.47 0.98 0.00 0.00 173.24 175.57 2qub n ASP 376 N -1.35 0.18 -3.18 7.02 8.00 -1.26 -4.06 116.55 121.90 2qub n ASP 376 Ca -0.08 -1.48 -0.11 0.00 0.71 0.00 0.00 54.79 53.83 2qub n ASP 376 Cb 0.66 -0.01 0.06 0.00 -0.02 0.00 0.00 41.12 41.80 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 0.81 0.68 3.60 0.44 0.00 -1.25 -3.45 105.19 106.03 2qub n GLY 377 Ca 0.13 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.90 6.65 0.14 1.61 -0.87 -1.26 -4.32 114.94 113.99 2qub s ASN 378 Ca 0.31 0.49 0.05 0.00 -1.57 0.00 0.00 52.86 52.15 2qub s ASN 378 Cb -0.02 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.63 2qub s ASN 378 CO 0.21 -1.20 0.06 -1.81 -2.57 0.00 0.00 177.10 171.78 2qub s ASP 379 N 2.37 5.20 -0.27 -1.22 1.01 -1.24 -4.63 116.67 117.90 2qub s ASP 379 Ca 0.47 -0.20 -0.04 0.00 0.71 0.00 0.00 52.55 53.49 2qub s ASP 379 Cb -0.08 -1.27 0.02 0.00 1.01 0.00 0.00 42.92 42.60 2qub s ASP 379 CO 0.30 0.11 -0.00 -0.76 0.21 0.00 0.00 175.17 175.03 2qub s LEU 380 N -2.79 3.47 -0.09 1.23 1.43 -1.26 -1.19 118.68 119.47 2qub s LEU 380 Ca 0.29 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2qub s LEU 380 Cb -0.10 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2qub s LEU 380 CO 0.21 -0.15 -0.15 -0.63 0.23 0.00 0.00 176.35 175.86 2qub s ILE 381 N 1.40 1.42 -0.14 -0.59 1.01 -0.34 -0.52 121.20 123.43 2qub s ILE 381 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.05 2qub s ILE 381 Cb -0.17 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.04 2qub s ILE 381 CO -0.01 0.42 -0.10 -0.75 0.00 0.00 0.00 174.94 174.49 2qub s LYS 382 N 0.86 1.89 0.45 2.79 2.20 -0.25 -1.02 119.74 126.66 2qub s LYS 382 Ca -0.10 -0.48 -0.11 0.00 -0.36 0.00 0.00 55.97 54.93 2qub s LYS 382 Cb -0.15 -1.95 -0.06 0.00 -1.51 0.00 0.00 37.83 34.16 2qub s LYS 382 CO 0.01 -0.29 0.83 0.20 -0.36 0.00 0.00 175.35 175.73 2qub s GLY 383 N 1.57 1.86 0.00 5.54 0.00 -0.20 -4.35 107.32 111.75 2qub s GLY 383 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.57 2qub s GLY 383 CO -0.09 0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.64 2qub n GLY 384 N -1.62 0.28 0.20 0.20 0.00 -1.26 -1.62 105.19 101.36 2qub n GLY 384 Ca 0.03 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.33 2qub n GLY 384 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qub h LYS 385 N 0.00 0.00 0.00 1.61 1.57 -1.81 -3.07 116.57 114.87 2qub h LYS 385 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qub h LYS 385 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2qub h LYS 385 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2qub n GLY 386 N 0.40 0.14 3.71 3.86 0.00 -1.26 -2.56 105.19 109.48 2qub n GLY 386 Ca 0.02 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 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 6.98 0.07 1.61 0.01 -1.26 -4.22 114.94 117.13 2qub s ASN 387 Ca 0.00 1.18 0.06 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 -0.15 -0.15 -1.81 -1.51 0.00 0.00 177.10 173.48 2qub s ASP 388 N 0.85 1.83 -0.29 -1.22 1.01 -1.14 -1.70 116.67 116.01 2qub s ASP 388 Ca 0.37 -0.62 0.02 0.00 0.71 0.00 0.00 52.55 53.04 2qub s ASP 388 Cb -0.18 -0.07 0.08 0.00 1.01 0.00 0.00 42.92 43.76 2qub s ASP 388 CO 0.17 -0.05 -0.03 -0.31 0.21 0.00 0.00 175.17 175.17 2qub s TYR 389 N -1.23 3.11 -0.17 4.23 2.02 0.29 -1.38 117.35 124.22 2qub s TYR 389 Ca -0.00 -2.38 -0.03 0.00 -0.37 0.00 0.00 57.07 54.28 2qub s TYR 389 Cb -0.10 -2.17 -0.02 0.00 -0.40 0.00 0.00 41.96 39.27 2qub s TYR 389 CO 0.03 -0.88 -0.04 -0.51 -1.57 0.00 0.00 175.55 172.57 2qub s LEU 390 N 1.14 3.11 -0.23 -1.29 1.43 -0.05 -1.14 118.68 121.65 2qub s LEU 390 Ca 0.00 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 2qub s LEU 390 Cb -0.19 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.32 2qub s LEU 390 CO -0.08 0.11 -0.11 -0.70 0.23 0.00 0.00 176.35 175.80 2qub s GLU 391 N 0.70 2.20 0.13 1.70 2.12 -0.19 -0.74 118.70 124.62 2qub s GLU 391 Ca -0.02 -1.06 0.07 0.00 0.36 0.00 0.00 54.97 54.32 2qub s GLU 391 Cb -0.15 -2.65 -0.19 0.00 0.26 0.00 0.00 34.13 31.40 2qub s GLU 391 CO 0.02 -0.47 1.29 0.78 -0.54 0.00 0.00 175.26 176.34 2qub h GLY 392 N 7.88 0.00 0.00 -1.50 0.00 -1.15 0.25 103.07 108.55 2qub h GLY 392 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2qub h GLY 392 CO 0.49 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.57 2qub n ARG 393 N -3.36 0.00 -0.74 4.80 1.74 -1.26 -4.08 116.66 113.77 2qub n ARG 393 Ca -0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 2qub n ARG 393 Cb 0.93 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.58 2qub n ARG 393 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2qub s ASP 394 N -4.00 1.93 0.00 0.55 1.11 -1.26 -3.67 116.67 111.33 2qub s ASP 394 Ca 0.00 1.63 0.00 0.00 0.18 0.00 0.00 52.55 54.36 2qub s ASP 394 Cb 0.00 -2.30 0.00 0.00 1.07 0.00 0.00 42.92 41.69 2qub s ASP 394 CO 0.00 -3.63 0.00 0.61 1.18 0.00 0.00 175.17 173.33 2qub n GLY 395 N 0.20 -0.52 3.55 0.21 0.00 -1.22 -3.96 105.19 103.45 2qub n GLY 395 Ca 0.06 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.40 6.43 0.08 1.61 1.01 -1.26 -4.37 116.67 117.76 2qub s ASP 396 Ca 0.00 -0.05 0.04 0.00 0.71 0.00 0.00 52.55 53.25 2qub s ASP 396 Cb 0.00 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2qub s ASP 396 CO 0.00 -1.24 -0.00 -1.81 0.21 0.00 0.00 175.17 172.33 2qub s ASP 397 N 2.67 5.02 -0.08 0.27 1.01 -1.24 -3.63 116.67 120.69 2qub s ASP 397 Ca 0.36 -0.15 0.04 0.00 0.71 0.00 0.00 52.55 53.51 2qub s ASP 397 Cb -0.10 -1.21 -0.00 0.00 1.01 0.00 0.00 42.92 42.62 2qub s ASP 397 CO 0.24 0.19 -0.23 -0.63 0.21 0.00 0.00 175.17 174.95 2qub s ILE 398 N -1.27 1.96 0.01 0.77 1.01 -0.34 -0.94 121.20 122.41 2qub s ILE 398 Ca 0.25 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.97 2qub s ILE 398 Cb -0.12 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 2qub s ILE 398 CO 0.17 0.54 -0.15 -0.36 0.00 0.00 0.00 174.94 175.14 2qub s PHE 399 N 0.23 2.65 0.12 3.97 0.08 -0.29 -1.20 117.98 123.54 2qub s PHE 399 Ca -0.14 -0.19 0.05 0.00 0.12 0.00 0.00 56.93 56.77 2qub s PHE 399 Cb -0.17 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 2qub s PHE 399 CO 0.07 0.26 -0.12 1.03 -0.10 0.00 0.00 175.22 176.35 2qub s ARG 400 N -1.26 0.99 -0.22 0.44 0.52 -0.19 -0.65 118.95 118.59 2qub s ARG 400 Ca 0.14 -1.26 -0.16 0.00 -0.52 0.00 0.00 55.73 53.93 2qub s ARG 400 Cb -0.11 -0.78 0.06 0.00 0.52 0.00 0.00 34.95 34.65 2qub s ARG 400 CO 0.05 0.14 0.57 0.34 0.02 0.00 0.00 175.30 176.41 2qub s ASP 401 N -2.58 -0.68 0.00 0.23 2.15 -1.26 -1.03 116.67 113.49 2qub s ASP 401 Ca 0.10 1.20 0.27 0.00 0.43 0.00 0.00 52.55 54.55 2qub s ASP 401 Cb -0.03 1.14 0.89 0.00 -0.30 0.00 0.00 42.92 44.62 2qub s ASP 401 CO 0.02 -0.21 1.65 0.00 -0.17 0.00 0.00 175.17 176.46 2qub n ALA 402 N 3.59 3.02 0.00 3.66 0.00 -0.64 -4.95 120.51 125.19 2qub n ALA 402 Ca -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2qub n ALA 402 Cb 0.57 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.36 -1.53 7.00 0.00 0.00 -1.16 -4.59 105.19 106.27 2qub n GLY 403 Ca 0.11 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.55 -0.84 3.26 -0.02 0.00 -1.06 -4.30 105.19 101.68 2qub n GLY 404 Ca 0.00 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 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 2.81 0.03 1.61 2.02 -1.26 -2.90 117.35 119.66 2qub s TYR 405 Ca 0.00 -1.07 0.01 0.00 -0.37 0.00 0.00 57.07 55.64 2qub s TYR 405 Cb 0.00 -1.92 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 2qub s TYR 405 CO 0.00 -0.51 -0.05 -0.80 -1.57 0.00 0.00 175.55 172.62 2qub s ASN 406 N 0.93 0.50 -0.07 2.29 0.01 -0.53 -2.90 114.94 115.17 2qub s ASN 406 Ca -0.03 -0.56 0.04 0.00 -0.71 0.00 0.00 52.86 51.61 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 -0.02 -0.29 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.31 2qub s LEU 407 N -1.63 2.28 -0.10 0.60 1.43 -0.48 -1.49 118.68 119.29 2qub s LEU 407 Ca -0.12 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 2qub s LEU 407 Cb -0.09 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.70 2qub s LEU 407 CO -0.01 0.24 -0.17 -0.63 0.23 0.00 0.00 176.35 176.00 2qub s ILE 408 N -0.12 1.62 -0.38 -0.59 1.01 0.07 -0.88 121.20 121.94 2qub s ILE 408 Ca -0.04 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 2qub s ILE 408 Cb -0.14 -1.45 0.09 0.00 0.01 0.00 0.00 42.46 40.97 2qub s ILE 408 CO 0.04 0.46 0.15 0.00 0.00 0.00 0.00 174.94 175.60 2qub s ALA 409 N 0.75 3.08 0.31 9.38 0.00 0.08 -0.61 121.76 134.75 2qub s ALA 409 Ca -0.11 -2.32 0.26 0.00 0.00 0.00 0.00 51.96 49.79 2qub s ALA 409 Cb -0.16 -2.30 1.23 0.00 0.00 0.00 0.00 23.12 21.89 2qub s ALA 409 CO 0.02 -1.66 1.97 0.78 0.00 0.00 0.00 175.76 176.88 2qub h GLY 410 N 8.05 0.00 0.00 0.00 0.00 -1.42 0.18 103.07 109.88 2qub h GLY 410 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2qub h GLY 410 CO 0.65 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.80 2qub n GLY 411 N -0.37 -0.09 3.59 4.60 0.00 -1.26 -4.00 105.19 107.66 2qub n GLY 411 Ca -0.01 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 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 0.05 0.00 1.61 1.02 -1.24 -4.87 119.74 116.31 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 -1.66 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 2qub s LYS 412 CO 0.00 -3.11 0.00 0.41 -0.92 0.00 0.00 175.35 171.73 2qub n GLY 413 N 0.15 0.24 3.42 -3.33 0.00 -1.26 -3.99 105.19 100.42 2qub n GLY 413 Ca 0.06 -2.02 -0.44 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.12 2.98 0.06 1.61 2.46 -1.26 -4.94 115.29 115.07 2qub s HIS 414 Ca 0.00 -0.66 0.03 0.00 0.47 0.00 0.00 55.06 54.90 2qub s HIS 414 Cb 0.00 -3.82 -0.04 0.00 -0.13 0.00 0.00 32.58 28.59 2qub s HIS 414 CO 0.00 -1.21 0.02 -0.80 -2.47 0.00 0.00 174.74 170.28 2qub s ASN 415 N 3.15 5.20 -0.03 9.88 0.01 -1.26 -3.61 114.94 128.28 2qub s ASN 415 Ca 0.15 -0.07 0.05 0.00 -0.71 0.00 0.00 52.86 52.28 2qub s ASN 415 Cb -0.20 -1.33 -0.01 0.00 0.41 0.00 0.00 41.25 40.12 2qub s ASN 415 CO 0.10 0.21 -0.17 -0.63 -1.51 0.00 0.00 177.10 175.10 2qub s ILE 416 N -1.26 1.38 -0.19 0.60 1.01 -0.12 -1.35 121.20 121.27 2qub s ILE 416 Ca 0.25 -0.72 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 2qub s ILE 416 Cb -0.12 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.15 2qub s ILE 416 CO 0.17 0.39 0.04 0.12 0.00 0.00 0.00 174.94 175.66 2qub s PHE 417 N -0.17 3.15 -0.31 3.97 5.36 -0.68 -1.14 117.98 128.17 2qub s PHE 417 Ca 0.01 -0.14 -0.05 0.00 -0.96 0.00 0.00 56.93 55.80 2qub s PHE 417 Cb -0.09 -2.09 0.03 0.00 -0.34 0.00 0.00 43.02 40.53 2qub s PHE 417 CO 0.01 -0.02 0.05 0.34 -1.46 0.00 0.00 175.22 174.14 2qub s ASP 418 N 0.68 5.04 0.31 6.13 2.15 0.18 -0.16 116.67 131.00 2qub s ASP 418 Ca 0.02 -1.03 0.25 0.00 0.43 0.00 0.00 52.55 52.22 2qub s ASP 418 Cb -0.14 -1.81 0.72 0.00 -0.30 0.00 0.00 42.92 41.40 2qub s ASP 418 CO 0.02 -0.25 1.73 0.71 -0.17 0.00 0.00 175.17 177.21 2qub h THR 419 N 6.16 0.00 -0.73 1.71 1.35 -1.27 -3.41 112.91 116.73 2qub h THR 419 Ca -0.26 -0.62 -0.31 0.00 -0.55 0.00 0.00 66.41 64.67 2qub h THR 419 Cb 1.09 1.59 -0.12 0.00 -1.73 0.00 0.00 68.15 68.98 2qub h THR 419 CO 0.58 0.00 -0.28 0.00 -0.25 0.00 0.00 175.52 175.57 2qub n GLN 420 N -2.57 -1.61 -3.88 4.72 6.02 -1.26 -4.94 117.38 113.87 2qub n GLN 420 Ca 0.04 1.04 -0.11 0.00 -0.01 0.00 0.00 57.00 57.97 2qub n GLN 420 Cb 0.43 -5.46 0.01 0.00 1.02 0.00 0.00 30.24 26.25 2qub n GLN 420 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2qub s GLN 421 N -3.29 2.22 0.26 -1.09 -2.07 -1.26 -4.68 119.66 109.74 2qub s GLN 421 Ca 0.00 -1.58 -0.31 0.00 -1.82 0.00 0.00 55.36 51.66 2qub s GLN 421 Cb 0.00 0.58 -0.13 0.00 -1.09 0.00 0.00 33.01 32.38 2qub s GLN 421 CO 0.00 -1.01 1.49 0.00 -1.32 0.00 0.00 175.29 174.44 2qub n ALA 422 N -0.55 1.72 0.01 2.60 0.00 -0.75 -1.80 120.51 121.73 2qub n ALA 422 Ca -0.06 0.39 0.09 0.00 0.00 0.00 0.00 53.44 53.87 2qub n ALA 422 Cb 0.60 -2.35 0.52 0.00 0.00 0.00 0.00 19.45 18.22 2qub n ALA 422 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2qub h LEU 423 N 4.47 0.31 -2.41 0.00 5.85 -1.94 -1.78 115.31 119.80 2qub h LEU 423 Ca -0.46 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2qub h LEU 423 Cb 1.25 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2qub h LEU 423 CO 0.77 0.20 0.01 0.07 -0.34 0.00 0.00 178.44 179.15 2qub h LYS 424 N 0.35 0.00 -0.01 1.25 2.10 -1.98 -1.79 116.57 116.49 2qub h LYS 424 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 2qub h LYS 424 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2qub h LYS 424 CO -0.04 0.00 -0.05 0.09 -2.00 0.00 0.00 179.45 177.45 2qub n ASN 425 N -2.77 0.60 -4.07 7.07 3.02 -0.67 -4.82 115.26 113.62 2qub n ASN 425 Ca -0.02 -0.93 -0.25 0.00 -0.03 0.00 0.00 54.58 53.34 2qub n ASN 425 Cb 0.06 -0.03 -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 -2.22 1.27 -0.10 3.41 2.01 -0.68 -3.92 115.64 115.42 2qub s THR 426 Ca 0.37 -0.58 -0.25 0.00 0.31 0.00 0.00 61.69 61.54 2qub s THR 426 Cb 0.21 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 2qub s THR 426 CO 0.41 0.38 0.77 -1.61 -0.69 0.00 0.00 174.62 173.88 2qub s GLU 427 N 0.43 4.39 -0.11 4.92 2.02 -0.47 -4.93 118.70 124.96 2qub s GLU 427 Ca -0.11 0.97 0.02 0.00 0.02 0.00 0.00 54.97 55.86 2qub s GLU 427 Cb -0.14 -3.50 0.01 0.00 0.10 0.00 0.00 34.13 30.60 2qub s GLU 427 CO 0.04 -0.10 -0.15 0.08 0.02 0.00 0.00 175.26 175.15 2qub s VAL 428 N 1.33 1.49 0.21 2.63 1.01 -1.26 -1.19 120.40 124.62 2qub s VAL 428 Ca 0.39 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2qub s VAL 428 Cb -0.18 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2qub s VAL 428 CO 0.17 0.44 0.16 0.00 0.00 0.00 0.00 175.10 175.87 2qub s ALA 429 N 1.01 1.10 -0.14 5.51 0.00 -0.25 -4.56 121.76 124.43 2qub s ALA 429 Ca -0.06 -1.66 -0.07 0.00 0.00 0.00 0.00 51.96 50.17 2qub s ALA 429 Cb -0.15 1.37 0.05 0.00 0.00 0.00 0.00 23.12 24.40 2qub s ALA 429 CO -0.02 -0.61 0.32 -0.47 0.00 0.00 0.00 175.76 174.98 2qub s TYR 430 N -4.12 -0.46 -2.44 0.00 5.04 -1.26 -0.36 117.35 113.75 2qub s TYR 430 Ca 0.38 1.03 0.22 0.00 -2.44 0.00 0.00 57.07 56.27 2qub s TYR 430 Cb 0.06 0.15 0.59 0.00 0.35 0.00 0.00 41.96 43.11 2qub s TYR 430 CO 0.12 -0.29 1.48 -0.40 -1.34 0.00 0.00 175.55 175.12 2qub n ASP 431 N 4.31 2.47 0.00 4.32 5.68 -0.61 -4.89 116.55 127.83 2qub n ASP 431 Ca -0.23 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.22 2qub n ASP 431 Cb 0.54 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 2qub n ASP 431 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qub n GLY 432 N 1.30 2.30 0.64 6.12 0.00 -1.26 -4.81 105.19 109.48 2qub n GLY 432 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.34 -4.52 1.61 2.85 -1.26 -4.96 115.26 109.31 2qub n ASN 433 Ca 0.00 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.13 2qub n ASN 433 Cb 0.00 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 40.90 2qub n ASN 433 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2qub s THR 434 N -1.43 4.02 -0.06 -0.44 2.01 -1.26 -3.97 115.64 114.51 2qub s THR 434 Ca 0.00 -0.31 -0.20 0.00 0.31 0.00 0.00 61.69 61.49 2qub s THR 434 Cb 0.00 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 2qub s THR 434 CO 0.00 0.49 0.56 -0.22 -0.69 0.00 0.00 174.62 174.76 2qub s LEU 435 N 0.31 4.34 -0.18 4.42 2.96 0.10 -1.57 118.68 129.06 2qub s LEU 435 Ca -0.03 1.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.87 2qub s LEU 435 Cb -0.14 -2.84 -0.01 0.00 0.50 0.00 0.00 46.19 43.70 2qub s LEU 435 CO 0.03 0.03 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.71 2qub s TYR 436 N 0.29 2.93 -0.09 5.38 2.02 0.52 -0.57 117.35 127.82 2qub s TYR 436 Ca 0.30 -0.73 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 2qub s TYR 436 Cb -0.17 -2.01 0.01 0.00 -0.40 0.00 0.00 41.96 39.40 2qub s TYR 436 CO 0.14 -0.35 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.11 2qub s LEU 437 N 0.96 1.70 -0.15 -1.29 1.43 -0.48 -1.09 118.68 119.76 2qub s LEU 437 Ca -0.01 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2qub s LEU 437 Cb -0.15 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.07 2qub s LEU 437 CO 0.00 0.03 -0.18 -0.60 0.23 0.00 0.00 176.35 175.83 2qub s ARG 438 N 0.85 3.14 0.77 1.70 3.52 -0.33 -0.99 118.95 127.61 2qub s ARG 438 Ca -0.10 -0.79 -0.10 0.00 -0.13 0.00 0.00 55.73 54.60 2qub s ARG 438 Cb -0.15 -2.55 0.17 0.00 -1.56 0.00 0.00 34.95 30.86 2qub s ARG 438 CO 0.01 0.01 1.06 -0.40 -0.81 0.00 0.00 175.30 175.16 2qub n ASP 439 N 4.06 0.38 0.15 -2.12 5.68 -0.35 -1.37 116.55 122.99 2qub n ASP 439 Ca -0.19 -1.56 0.13 0.00 -0.50 0.00 0.00 54.79 52.66 2qub n ASP 439 Cb 0.52 -0.78 0.48 0.00 -1.14 0.00 0.00 41.12 40.19 2qub n ASP 439 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qub h ALA 440 N -1.49 1.00 -0.15 2.12 0.00 -1.91 -2.24 119.26 116.60 2qub h ALA 440 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2qub h ALA 440 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2qub h ALA 440 CO 0.27 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.15 2qub n LYS 441 N -2.42 2.07 -0.36 0.00 5.02 -1.26 -4.95 118.16 116.26 2qub n LYS 441 Ca 0.03 -1.59 0.00 0.00 -2.02 0.00 0.00 58.31 54.73 2qub n LYS 441 Cb 0.31 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 1.30 0.69 3.76 0.72 0.00 -0.84 -5.06 105.19 105.76 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 -1.37 2.87 -0.08 -0.02 0.00 -1.26 -4.76 107.32 102.69 2qub s GLY 443 Ca 0.00 1.27 0.04 0.00 0.00 0.00 0.00 44.72 46.03 2qub s GLY 443 CO 0.00 1.98 -0.21 -0.42 0.00 0.00 0.00 173.10 174.45 2qub s ILE 444 N -0.90 2.36 -0.09 0.90 1.01 -1.14 -1.21 121.20 122.13 2qub s ILE 444 Ca 0.51 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 60.25 2qub s ILE 444 Cb -0.40 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 2qub s ILE 444 CO 0.51 0.56 -0.19 -0.89 0.00 0.00 0.00 174.94 174.93 2qub s THR 445 N 0.04 2.57 -0.19 2.92 2.01 -0.16 -1.45 115.64 121.39 2qub s THR 445 Ca -0.08 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.02 2qub s THR 445 Cb -0.15 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 2qub s THR 445 CO 0.05 0.55 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.76 2qub s LEU 446 N 0.04 3.17 -0.09 4.42 1.02 -0.56 -1.38 118.68 125.30 2qub s LEU 446 Ca -0.07 -0.22 0.01 0.00 0.02 0.00 0.00 54.13 53.87 2qub s LEU 446 Cb -0.15 -1.79 0.02 0.00 0.02 0.00 0.00 46.19 44.29 2qub s LEU 446 CO 0.05 0.09 -0.10 0.00 0.02 0.00 0.00 176.35 176.41 2qub s ALA 447 N 0.86 1.28 0.02 4.21 0.00 0.26 -0.75 121.76 127.63 2qub s ALA 447 Ca -0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.46 2qub s ALA 447 Cb -0.14 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2qub s ALA 447 CO 0.02 -0.17 0.22 -0.51 0.00 0.00 0.00 175.76 175.32 2qub s ASP 448 N 1.21 6.40 -1.43 0.00 1.11 0.22 -0.72 116.67 123.46 2qub s ASP 448 Ca -0.04 0.39 -0.07 0.00 0.18 0.00 0.00 52.55 53.00 2qub s ASP 448 Cb -0.14 -2.02 0.01 0.00 1.07 0.00 0.00 42.92 41.84 2qub s ASP 448 CO -0.03 0.23 0.92 0.47 1.18 0.00 0.00 175.17 177.94 2qub n ASP 449 N 0.79 -6.24 -4.57 0.27 8.00 -1.25 -1.22 116.55 112.32 2qub n ASP 449 Ca -0.09 -0.42 -0.39 0.00 0.71 0.00 0.00 54.79 54.60 2qub n ASP 449 Cb 0.52 -4.95 -0.10 0.00 -0.02 0.00 0.00 41.12 36.57 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 -3.25 5.26 0.02 0.53 -1.09 -1.26 -4.25 121.20 117.16 2qub s ILE 450 Ca 0.46 0.11 0.11 0.00 -2.23 0.00 0.00 60.65 59.09 2qub s ILE 450 Cb -0.20 -3.64 -0.20 0.00 -1.58 0.00 0.00 42.46 36.83 2qub s ILE 450 CO 0.56 0.12 0.97 0.28 -1.23 0.00 0.00 174.94 175.64 2qub h SER 451 N 8.39 0.00 -3.55 3.58 0.02 -1.57 -3.44 113.55 116.97 2qub h SER 451 Ca -0.33 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.31 2qub h SER 451 Cb 1.17 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.38 2qub h SER 451 CO 0.61 0.95 -0.74 -0.89 -1.14 0.00 0.00 176.83 175.62 2qub s THR 452 N -2.68 0.09 -0.25 -2.27 2.01 -1.18 -1.05 115.64 110.30 2qub s THR 452 Ca -0.02 0.10 -0.07 0.00 0.31 0.00 0.00 61.69 62.01 2qub s THR 452 Cb 0.09 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.38 2qub s THR 452 CO 0.82 0.11 0.08 -0.22 -0.69 0.00 0.00 174.62 174.71 2qub s LEU 453 N 0.87 3.47 -0.15 4.42 2.96 0.12 -1.69 118.68 128.69 2qub s LEU 453 Ca -0.08 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.59 2qub s LEU 453 Cb -0.11 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 2qub s LEU 453 CO -0.02 -0.03 0.02 -0.60 -1.32 0.00 0.00 176.35 174.40 2qub s ARG 454 N 1.61 3.60 0.36 1.98 3.52 0.78 -0.84 118.95 129.95 2qub s ARG 454 Ca 0.06 -0.40 0.07 0.00 -0.13 0.00 0.00 55.73 55.33 2qub s ARG 454 Cb -0.15 -3.02 -0.07 0.00 -1.56 0.00 0.00 34.95 30.15 2qub s ARG 454 CO 0.04 0.41 -0.02 -1.54 -0.81 0.00 0.00 175.30 173.38 2qub s SER 455 N -0.05 3.37 -0.20 -2.12 1.04 -0.40 -0.80 113.70 114.53 2qub s SER 455 Ca 0.04 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2qub s SER 455 Cb -0.13 -0.29 0.02 0.00 0.10 0.00 0.00 66.02 65.73 2qub s SER 455 CO 0.02 -0.41 -0.15 -0.75 0.98 0.00 0.00 173.24 172.93 2qub s LYS 456 N -3.73 2.96 0.29 4.02 2.20 -0.74 -0.69 119.74 124.05 2qub s LYS 456 Ca 0.34 -0.87 0.10 0.00 -0.36 0.00 0.00 55.97 55.18 2qub s LYS 456 Cb 0.07 -2.71 -0.05 0.00 -1.51 0.00 0.00 37.83 33.63 2qub s LYS 456 CO 0.16 -0.26 -0.04 -1.21 -0.36 0.00 0.00 175.35 173.64 2qub s GLU 457 N 1.30 2.11 -0.07 4.03 0.41 -0.20 -1.82 118.70 124.48 2qub s GLU 457 Ca 0.03 -1.58 0.04 0.00 -0.41 0.00 0.00 54.97 53.06 2qub s GLU 457 Cb -0.14 -2.02 -0.00 0.00 -1.78 0.00 0.00 34.13 30.18 2qub s GLU 457 CO -0.10 0.29 -0.20 0.99 -0.49 0.00 0.00 175.26 175.75 2qub s THR 458 N -2.41 1.72 0.00 3.63 2.01 -1.26 -1.25 115.64 118.08 2qub s THR 458 Ca 0.32 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.48 2qub s THR 458 Cb -0.04 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 2qub s THR 458 CO 0.19 0.49 0.01 -0.44 -0.69 0.00 0.00 174.62 174.17 2qub s SER 459 N 0.17 5.17 -1.65 3.53 0.01 0.21 -4.61 113.70 116.53 2qub s SER 459 Ca -0.10 0.00 -0.15 0.00 1.31 0.00 0.00 55.95 57.02 2qub s SER 459 Cb -0.15 -1.36 0.13 0.00 0.21 0.00 0.00 66.02 64.85 2qub s SER 459 CO 0.05 0.28 0.67 0.79 0.41 0.00 0.00 173.24 175.43 2qub n TRP 460 N 1.35 -1.66 0.00 2.43 8.01 -1.26 -1.86 117.44 124.44 2qub n TRP 460 Ca -0.14 0.77 0.00 0.00 -1.31 0.00 0.00 57.50 56.82 2qub n TRP 460 Cb 0.53 -3.02 0.00 0.00 -2.01 0.00 0.00 31.31 26.81 2qub n TRP 460 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 2qub n LEU 461 N -4.38 0.00 -0.26 -0.99 4.77 -1.26 -4.37 117.00 110.51 2qub n LEU 461 Ca -0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.01 2qub n LEU 461 Cb 0.54 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 2qub n LEU 461 CO 0.85 0.00 0.25 2.30 -1.33 0.00 0.00 177.39 179.46 2qub n ILE 462 N 0.00 0.00 -3.49 -0.08 -5.35 -1.19 -4.92 119.36 104.33 2qub n ILE 462 Ca 0.00 -0.42 -0.42 0.00 -0.27 0.00 0.00 62.75 61.64 2qub n ILE 462 Cb 0.00 1.14 -0.09 0.00 -1.74 0.00 0.00 39.64 38.94 2qub n ILE 462 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2qub s PHE 463 N -1.23 3.27 0.12 4.28 5.36 -0.78 -4.97 117.98 124.04 2qub s PHE 463 Ca 0.09 -1.08 -0.16 0.00 -0.96 0.00 0.00 56.93 54.82 2qub s PHE 463 Cb 0.08 -2.92 -0.07 0.00 -0.34 0.00 0.00 43.02 39.77 2qub s PHE 463 CO 0.22 -0.77 0.55 -0.80 -1.46 0.00 0.00 175.22 172.97 2qub s ASN 464 N 2.18 6.90 -0.04 6.13 0.02 -1.26 -0.62 114.94 128.25 2qub s ASN 464 Ca 0.03 1.13 -0.12 0.00 -1.02 0.00 0.00 52.86 52.89 2qub s ASN 464 Cb -0.22 -2.31 0.02 0.00 0.02 0.00 0.00 41.25 38.76 2qub s ASN 464 CO 0.06 0.16 0.28 -1.59 0.02 0.00 0.00 177.10 176.02 2qub s LYS 465 N -1.68 0.54 0.15 -0.60 -2.85 -0.38 -4.99 119.74 109.93 2qub s LYS 465 Ca 0.35 -0.05 -0.26 0.00 -1.00 0.00 0.00 55.97 55.01 2qub s LYS 465 Cb -0.16 0.24 -0.07 0.00 -2.06 0.00 0.00 37.83 35.77 2qub s LYS 465 CO 0.19 -0.13 0.82 -1.21 0.10 0.00 0.00 175.35 175.12 2qub s GLU 466 N -0.89 4.62 -0.11 1.78 0.41 -1.26 -1.03 118.70 122.21 2qub s GLU 466 Ca -0.10 1.23 0.01 0.00 -0.41 0.00 0.00 54.97 55.70 2qub s GLU 466 Cb -0.05 -3.29 0.02 0.00 -1.78 0.00 0.00 34.13 29.03 2qub s GLU 466 CO 0.03 0.48 -0.13 0.08 -0.49 0.00 0.00 175.26 175.22 2qub s VAL 467 N -0.85 1.36 -0.07 2.63 1.01 0.14 -4.95 120.40 119.67 2qub s VAL 467 Ca 0.38 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 2qub s VAL 467 Cb -0.23 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 2qub s VAL 467 CO 0.27 0.42 0.30 -1.81 0.00 0.00 0.00 175.10 174.28 2qub s ASP 468 N 1.17 6.60 -0.17 3.32 1.01 -1.26 -1.27 116.67 126.06 2qub s ASP 468 Ca -0.03 0.71 0.00 0.00 0.71 0.00 0.00 52.55 53.94 2qub s ASP 468 Cb -0.14 -2.18 0.04 0.00 1.01 0.00 0.00 42.92 41.65 2qub s ASP 468 CO -0.04 0.30 -0.09 -1.00 0.21 0.00 0.00 175.17 174.55 2qub s HIS 469 N -0.73 2.03 0.11 4.23 3.76 -0.02 -4.64 115.29 120.04 2qub s HIS 469 Ca 0.19 -1.26 -0.31 0.00 -0.15 0.00 0.00 55.06 53.54 2qub s HIS 469 Cb -0.14 -1.48 -0.07 0.00 1.11 0.00 0.00 32.58 31.99 2qub s HIS 469 CO 0.08 -0.66 1.29 -1.14 -0.85 0.00 0.00 174.74 173.46 2qub s GLN 470 N 1.53 4.39 -0.41 1.40 0.74 0.75 -0.70 119.66 127.35 2qub s GLN 470 Ca 0.01 1.93 -0.24 0.00 0.05 0.00 0.00 55.36 57.12 2qub s GLN 470 Cb -0.15 -3.28 0.02 0.00 1.10 0.00 0.00 33.01 30.70 2qub s GLN 470 CO -0.09 -0.31 0.83 0.08 -0.55 0.00 0.00 175.29 175.25 2qub s VAL 471 N 0.85 4.64 0.25 1.34 1.01 -0.22 -1.00 120.40 127.28 2qub s VAL 471 Ca 0.60 0.74 0.07 0.00 0.00 0.00 0.00 61.98 63.39 2qub s VAL 471 Cb -0.33 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.69 2qub s VAL 471 CO 0.31 -0.62 -0.08 0.42 0.00 0.00 0.00 175.10 175.13 2qub s THR 472 N 3.34 1.64 0.48 3.92 -4.23 -0.92 -4.92 115.64 114.94 2qub s THR 472 Ca 0.33 -2.15 0.15 0.00 -1.18 0.00 0.00 61.69 58.84 2qub s THR 472 Cb -0.12 -2.31 0.31 0.00 1.34 0.00 0.00 72.50 71.72 2qub s THR 472 CO 0.21 -0.40 2.06 0.00 -0.54 0.00 0.00 174.62 175.95 2qub h ALA 473 N 2.38 2.04 0.00 3.99 0.00 -1.96 -2.42 119.26 123.29 2qub h ALA 473 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2qub h ALA 473 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2qub h ALA 473 CO 0.65 -0.11 -0.55 0.00 0.00 0.00 0.00 179.25 179.24 2qub n ALA 474 N -2.54 3.36 0.00 0.00 0.00 -1.26 -4.93 120.51 115.14 2qub n ALA 474 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2qub n ALA 474 Cb 0.26 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.45 -0.58 3.71 0.00 0.00 -0.91 -4.24 105.19 104.62 2qub n GLY 475 Ca 0.05 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 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 4.32 -0.23 0.99 1.43 -0.30 -2.17 118.68 122.73 2qub s LEU 476 Ca 0.00 1.35 -0.05 0.00 -1.03 0.00 0.00 54.13 54.40 2qub s LEU 476 Cb 0.00 -3.26 -0.02 0.00 0.03 0.00 0.00 46.19 42.94 2qub s LEU 476 CO 0.00 -0.19 0.00 -0.75 0.23 0.00 0.00 176.35 175.65 2qub s LYS 477 N 0.98 3.51 0.25 1.70 2.20 -0.17 -0.57 119.74 127.65 2qub s LYS 477 Ca 0.43 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.51 2qub s LYS 477 Cb -0.19 -3.13 -0.01 0.00 -1.51 0.00 0.00 37.83 32.99 2qub s LYS 477 CO 0.21 -0.16 0.11 0.45 -0.36 0.00 0.00 175.35 175.60 2qub n SER 478 N 4.75 0.84 0.24 1.43 2.88 -0.54 -0.18 113.62 123.04 2qub n SER 478 Ca -0.17 -2.40 0.17 0.00 -1.33 0.00 0.00 58.87 55.14 2qub n SER 478 Cb 0.51 0.74 0.87 0.00 -0.75 0.00 0.00 64.21 65.58 2qub n SER 478 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2qub h ASP 479 N 1.09 0.00 0.93 -3.46 3.32 -1.99 -1.83 116.42 114.48 2qub h ASP 479 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2qub h ASP 479 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2qub h ASP 479 CO 0.30 0.00 -0.46 -1.54 -1.72 0.00 0.00 179.24 175.82 2qub n SER 480 N -3.67 0.65 0.00 6.45 3.41 -1.26 -5.06 113.62 114.14 2qub n SER 480 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2qub n SER 480 Cb 0.28 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 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 1.36 0.84 3.61 5.00 0.00 -0.69 -5.05 105.19 110.26 2qub n GLY 481 Ca 0.04 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 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 3.89 -0.37 0.99 2.96 -1.26 -1.47 118.68 123.41 2qub s LEU 482 Ca 0.00 0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 53.88 2qub s LEU 482 Cb 0.00 -2.02 0.06 0.00 0.50 0.00 0.00 46.19 44.72 2qub s LEU 482 CO 0.00 0.08 0.17 -0.75 -1.32 0.00 0.00 176.35 174.53 2qub s LYS 483 N 0.95 2.56 0.63 1.98 2.20 0.27 -4.96 119.74 123.37 2qub s LYS 483 Ca 0.06 -1.32 -0.18 0.00 -0.36 0.00 0.00 55.97 54.16 2qub s LYS 483 Cb -0.13 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.59 2qub s LYS 483 CO 0.03 -0.79 1.24 0.00 -0.36 0.00 0.00 175.35 175.47 2qub s ALA 484 N 1.39 2.43 0.37 3.13 0.00 -1.26 -1.15 121.76 126.68 2qub s ALA 484 Ca 0.01 1.09 -0.25 0.00 0.00 0.00 0.00 51.96 52.81 2qub s ALA 484 Cb -0.21 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.32 2qub s ALA 484 CO 0.02 -1.41 1.00 0.71 0.00 0.00 0.00 175.76 176.08 2qub s TYR 485 N -1.54 3.43 -1.38 0.00 2.02 -1.26 -4.86 117.35 113.75 2qub s TYR 485 Ca 0.79 1.69 -0.12 0.00 -0.37 0.00 0.00 57.07 59.06 2qub s TYR 485 Cb -0.33 -3.03 0.09 0.00 -0.40 0.00 0.00 41.96 38.29 2qub s TYR 485 CO 0.37 -0.28 2.06 0.00 -1.57 0.00 0.00 175.55 176.13 2qub n ALA 486 N 0.13 5.37 -3.36 3.71 0.00 -1.26 -4.89 120.51 120.20 2qub n ALA 486 Ca 0.04 -4.05 -0.15 0.00 0.00 0.00 0.00 53.44 49.28 2qub n ALA 486 Cb 0.50 -3.32 -0.06 0.00 0.00 0.00 0.00 19.45 16.57 2qub n ALA 486 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qub s ALA 487 N 2.15 -1.38 -0.18 0.00 0.00 -1.26 -0.36 121.76 120.74 2qub s ALA 487 Ca 0.44 0.79 -0.07 0.00 0.00 0.00 0.00 51.96 53.12 2qub s ALA 487 Cb 0.12 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 2qub s ALA 487 CO -0.05 -0.42 0.04 0.00 0.00 0.00 0.00 175.76 175.33 2qub s ALA 488 N -1.84 3.30 -0.10 0.00 0.00 -0.86 -4.99 121.76 117.27 2qub s ALA 488 Ca -0.09 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2qub s ALA 488 Cb -0.01 -1.84 0.01 0.00 0.00 0.00 0.00 23.12 21.28 2qub s ALA 488 CO 0.03 0.16 -0.14 0.99 0.00 0.00 0.00 175.76 176.80 2qub s THR 489 N 0.41 1.41 0.00 0.00 2.01 -1.26 -1.27 115.64 116.94 2qub s THR 489 Ca 0.01 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.41 2qub s THR 489 Cb -0.13 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 71.09 2qub s THR 489 CO 0.01 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 2qub n GLY 490 N 4.13 0.79 0.00 4.40 0.00 0.38 -4.99 105.19 109.90 2qub n GLY 490 Ca -0.19 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.87 2qub n GLY 490 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qub n GLY 491 N 5.00 5.75 0.21 -0.02 0.00 -1.25 -4.75 105.19 110.13 2qub n GLY 491 Ca 0.00 -1.59 0.15 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.20 1.61 3.32 -1.87 -3.27 116.42 113.01 2qub h ASP 492 Ca 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 2qub h ASP 492 Cb 0.00 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.69 2qub h ASP 492 CO 0.00 0.00 0.30 -0.83 -1.72 0.00 0.00 179.24 176.99 2qub s GLY 493 N -3.85 1.78 -0.81 2.75 0.00 -1.26 -3.82 107.32 102.11 2qub s GLY 493 Ca 0.01 -1.47 -0.25 0.00 0.00 0.00 0.00 44.72 43.02 2qub s GLY 493 CO 0.43 -0.75 1.25 0.99 0.00 0.00 0.00 173.10 175.02 2qub s ASP 494 N -4.86 6.28 0.02 1.64 1.01 -1.26 -4.43 116.67 115.08 2qub s ASP 494 Ca 0.72 -0.93 -0.06 0.00 0.71 0.00 0.00 52.55 52.99 2qub s ASP 494 Cb -0.04 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 2qub s ASP 494 CO 0.50 -1.62 0.28 -1.81 0.21 0.00 0.00 175.17 172.72 2qub s ASP 495 N 4.02 6.49 -0.31 0.27 1.01 -1.26 -4.91 116.67 121.98 2qub s ASP 495 Ca 0.35 0.55 -0.11 0.00 0.71 0.00 0.00 52.55 54.05 2qub s ASP 495 Cb -0.08 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 2qub s ASP 495 CO 0.06 0.23 0.18 -0.69 0.21 0.00 0.00 175.17 175.15 2qub s VAL 496 N -1.35 4.83 -0.25 -1.27 1.01 -1.26 -0.75 120.40 121.37 2qub s VAL 496 Ca 0.29 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 2qub s VAL 496 Cb -0.13 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.84 2qub s VAL 496 CO 0.18 0.07 -0.08 -0.76 0.00 0.00 0.00 175.10 174.51 2qub s LEU 497 N 1.66 3.20 -0.27 3.92 1.43 0.33 -4.99 118.68 123.97 2qub s LEU 497 Ca 0.05 -1.01 -0.07 0.00 -1.03 0.00 0.00 54.13 52.08 2qub s LEU 497 Cb -0.17 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 2qub s LEU 497 CO 0.08 -0.14 0.06 -1.58 0.23 0.00 0.00 176.35 174.99 2qub s GLN 498 N 1.26 3.36 0.37 1.70 0.74 -1.26 -0.35 119.66 125.48 2qub s GLN 498 Ca -0.02 -0.67 -0.27 0.00 0.05 0.00 0.00 55.36 54.45 2qub s GLN 498 Cb -0.17 -3.31 -0.11 0.00 1.10 0.00 0.00 33.01 30.52 2qub s GLN 498 CO -0.05 -0.31 1.26 0.00 -0.55 0.00 0.00 175.29 175.64 2qub n ALA 499 N 4.88 1.20 -2.22 1.58 0.00 -0.66 -4.99 120.51 120.30 2qub n ALA 499 Ca -0.16 0.32 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 2qub n ALA 499 Cb 0.50 -2.24 0.01 0.00 0.00 0.00 0.00 19.45 17.71 2qub n ALA 499 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qub s ARG 500 N -2.00 2.94 0.45 0.00 0.52 -1.26 -4.83 118.95 114.77 2qub s ARG 500 Ca 0.58 -1.03 0.21 0.00 -0.52 0.00 0.00 55.73 54.96 2qub s ARG 500 Cb -0.55 -2.74 1.19 0.00 0.52 0.00 0.00 34.95 33.37 2qub s ARG 500 CO 0.60 -0.19 1.89 0.66 0.02 0.00 0.00 175.30 178.29 2qub h SER 501 N 0.66 0.28 -0.29 0.23 4.64 -2.03 -1.90 113.55 115.15 2qub h SER 501 Ca -0.43 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2qub h SER 501 Cb 1.27 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2qub h SER 501 CO 0.50 0.12 0.00 1.41 -0.87 0.00 0.00 176.83 177.99 2qub n HIS 502 N -4.45 0.38 -2.07 4.77 8.25 -1.26 -4.98 115.22 115.86 2qub n HIS 502 Ca 0.17 -0.50 -0.41 0.00 -0.26 0.00 0.00 57.72 56.72 2qub n HIS 502 Cb 0.70 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.76 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 -1.00 6.72 -0.01 0.41 1.01 -0.72 -4.77 116.67 118.32 2qub s ASP 503 Ca 0.19 2.56 0.13 0.00 0.71 0.00 0.00 52.55 56.14 2qub s ASP 503 Cb 0.10 -2.61 -0.17 0.00 1.01 0.00 0.00 42.92 41.24 2qub s ASP 503 CO 0.13 -0.66 0.39 0.00 0.21 0.00 0.00 175.17 175.23 2qub n ALA 504 N 2.73 2.97 -2.90 5.23 0.00 0.52 -4.87 120.51 124.19 2qub n ALA 504 Ca 0.08 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.08 2qub n ALA 504 Cb 0.41 -0.45 -0.12 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.59 0.47 -0.09 0.00 0.52 -1.10 -1.05 118.94 115.10 2qub s TRP 505 Ca -0.01 -0.47 0.03 0.00 0.02 0.00 0.00 56.10 55.67 2qub s TRP 505 Cb 0.09 -0.30 0.01 0.00 -1.15 0.00 0.00 33.47 32.12 2qub s TRP 505 CO 0.52 -0.12 -0.17 -0.51 0.02 0.00 0.00 176.95 176.69 2qub s LEU 506 N -1.39 1.83 -0.26 2.99 1.43 -0.56 -2.03 118.68 120.69 2qub s LEU 506 Ca -0.11 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 2qub s LEU 506 Cb -0.09 -1.10 0.06 0.00 0.03 0.00 0.00 46.19 45.09 2qub s LEU 506 CO -0.00 0.08 -0.10 -0.36 0.23 0.00 0.00 176.35 176.20 2qub s PHE 507 N 0.61 3.26 0.24 0.29 0.08 -0.39 -1.41 117.98 120.66 2qub s PHE 507 Ca -0.15 -2.26 0.08 0.00 0.12 0.00 0.00 56.93 54.73 2qub s PHE 507 Cb -0.16 -1.95 0.26 0.00 -0.57 0.00 0.00 43.02 40.59 2qub s PHE 507 CO 0.05 -0.87 1.56 0.78 -0.10 0.00 0.00 175.22 176.63 2qub h GLY 508 N 7.80 0.08 0.00 4.36 0.00 -1.26 0.11 103.07 114.16 2qub h GLY 508 Ca -0.20 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2qub h GLY 508 CO 0.47 0.10 0.00 0.70 0.00 0.00 0.00 176.54 177.81 2qub n ASN 509 N -3.77 -2.03 -4.57 0.19 3.02 -1.21 -3.93 115.26 102.95 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 0.66 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 40.04 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 -1.96 0.31 0.00 5.41 0.00 -1.23 -3.90 121.76 120.38 2qub s ALA 510 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2qub s ALA 510 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2qub s ALA 510 CO 0.00 -3.40 0.00 0.41 0.00 0.00 0.00 175.76 172.77 2qub n GLY 511 N 0.53 -1.02 3.36 0.00 0.00 -1.25 -4.28 105.19 102.52 2qub n GLY 511 Ca 0.06 -1.64 -0.46 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.10 6.44 0.16 1.61 -0.87 -1.26 -4.05 114.94 114.88 2qub s ASN 512 Ca 0.00 -2.02 0.02 0.00 -1.57 0.00 0.00 52.86 49.29 2qub s ASN 512 Cb 0.00 -2.26 -0.04 0.00 -0.02 0.00 0.00 41.25 38.93 2qub s ASN 512 CO 0.00 -0.87 0.30 -1.81 -2.57 0.00 0.00 177.10 172.15 2qub s ASP 513 N 3.13 6.34 -0.25 -1.22 1.01 -1.25 -4.12 116.67 120.31 2qub s ASP 513 Ca 0.15 0.18 -0.03 0.00 0.71 0.00 0.00 52.55 53.56 2qub s ASP 513 Cb -0.18 -1.91 0.02 0.00 1.01 0.00 0.00 42.92 41.85 2qub s ASP 513 CO -0.02 0.03 -0.03 -0.89 0.21 0.00 0.00 175.17 174.47 2qub s THR 514 N -1.77 3.16 -0.26 -1.27 2.01 0.07 -0.41 115.64 117.17 2qub s THR 514 Ca 0.35 -0.87 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 2qub s THR 514 Cb -0.11 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 2qub s THR 514 CO 0.29 0.21 0.05 -0.76 -0.69 0.00 0.00 174.62 173.72 2qub s LEU 515 N 1.38 3.48 -0.23 4.42 1.02 0.17 -0.51 118.68 128.41 2qub s LEU 515 Ca 0.02 -0.48 -0.04 0.00 0.02 0.00 0.00 54.13 53.65 2qub s LEU 515 Cb -0.16 -1.86 -0.01 0.00 0.02 0.00 0.00 46.19 44.18 2qub s LEU 515 CO -0.03 -0.10 -0.02 -0.63 0.02 0.00 0.00 176.35 175.59 2qub s ILE 516 N 1.53 3.55 0.49 -0.59 1.01 0.53 -0.74 121.20 126.98 2qub s ILE 516 Ca 0.04 -0.43 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 2qub s ILE 516 Cb -0.16 -2.62 0.12 0.00 0.01 0.00 0.00 42.46 39.81 2qub s ILE 516 CO 0.01 0.41 0.45 0.61 0.00 0.00 0.00 174.94 176.42 2qub n GLY 517 N 4.82 -2.52 3.24 6.18 0.00 -0.31 -1.66 105.19 114.95 2qub n GLY 517 Ca -0.18 -1.48 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 2qub n GLY 517 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2qub s HIS 518 N -1.82 1.22 0.44 1.61 -3.43 -1.26 -4.58 115.29 107.47 2qub s HIS 518 Ca 0.29 -1.03 0.18 0.00 -0.80 0.00 0.00 55.06 53.70 2qub s HIS 518 Cb -0.03 -0.70 1.12 0.00 -1.43 0.00 0.00 32.58 31.55 2qub s HIS 518 CO 0.22 -0.22 1.92 0.00 -2.00 0.00 0.00 174.74 174.66 2qub h ALA 519 N 2.68 2.20 0.00 -1.38 0.00 -1.98 -1.77 119.26 119.02 2qub h ALA 519 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2qub h ALA 519 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qub h ALA 519 CO 0.62 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.88 2qub n GLY 520 N -1.55 -1.16 7.00 0.00 0.00 -1.26 -4.49 105.19 103.74 2qub n GLY 520 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.92 1.83 3.34 -0.02 0.00 -0.66 -4.71 105.19 105.89 2qub n GLY 521 Ca 0.12 -0.50 -0.24 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 -1.40 -5.04 -4.45 1.61 5.03 -0.07 -4.89 115.26 106.06 2qub n ASN 522 Ca 0.00 -0.42 -0.32 0.00 0.87 0.00 0.00 54.58 54.71 2qub n ASN 522 Cb 0.00 -4.08 -0.13 0.00 -1.02 0.00 0.00 39.78 34.54 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 -6.76 2.60 -0.29 3.41 2.96 -1.26 -4.84 118.68 114.50 2qub s LEU 523 Ca 0.42 -0.30 -0.09 0.00 -0.22 0.00 0.00 54.13 53.94 2qub s LEU 523 Cb -0.21 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 2qub s LEU 523 CO 0.52 0.32 0.14 -0.89 -1.32 0.00 0.00 176.35 175.12 2qub s THR 524 N -0.77 4.67 -0.23 3.68 2.01 -0.22 -1.17 115.64 123.61 2qub s THR 524 Ca 0.12 -0.25 -0.16 0.00 0.31 0.00 0.00 61.69 61.72 2qub s THR 524 Cb -0.10 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 2qub s THR 524 CO 0.02 0.16 0.39 -0.36 -0.69 0.00 0.00 174.62 174.14 2qub s PHE 525 N 1.64 3.31 -0.41 4.92 0.08 0.69 -1.50 117.98 126.72 2qub s PHE 525 Ca 0.06 0.53 0.02 0.00 0.12 0.00 0.00 56.93 57.65 2qub s PHE 525 Cb -0.16 -2.55 0.13 0.00 -0.57 0.00 0.00 43.02 39.86 2qub s PHE 525 CO 0.07 -0.11 0.20 0.08 -0.10 0.00 0.00 175.22 175.35 2qub s VAL 526 N 1.68 1.41 0.32 -0.44 1.01 -0.50 -1.05 120.40 122.83 2qub s VAL 526 Ca 0.17 -2.35 0.21 0.00 0.00 0.00 0.00 61.98 60.01 2qub s VAL 526 Cb -0.15 -2.01 0.20 0.00 0.00 0.00 0.00 36.38 34.42 2qub s VAL 526 CO 0.09 -0.83 1.91 1.23 0.00 0.00 0.00 175.10 177.49 2qub h GLY 527 N 7.04 0.00 0.00 4.51 0.00 -1.81 -0.78 103.07 112.03 2qub h GLY 527 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 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 -0.37 -0.54 3.60 4.60 0.00 -1.26 -3.34 105.19 107.89 2qub n GLY 528 Ca -0.01 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 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 2.16 0.00 1.61 1.04 -1.25 -4.63 113.70 108.63 2qub s SER 529 Ca 0.00 1.63 0.00 0.00 0.48 0.00 0.00 55.95 58.06 2qub s SER 529 Cb 0.00 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2qub s SER 529 CO 0.00 -3.48 0.00 0.61 0.98 0.00 0.00 173.24 171.35 2qub n GLY 530 N 0.01 -1.37 3.39 7.32 0.00 -1.26 -3.89 105.19 109.40 2qub n GLY 530 Ca 0.06 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.82 5.91 0.17 1.61 1.01 -1.26 -4.01 116.67 117.28 2qub s ASP 531 Ca 0.00 -1.06 0.08 0.00 0.71 0.00 0.00 52.55 52.28 2qub s ASP 531 Cb 0.00 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 2qub s ASP 531 CO 0.00 -0.46 -0.08 -1.81 0.21 0.00 0.00 175.17 173.03 2qub s ASP 532 N 1.79 4.34 -0.20 0.27 1.01 -1.23 -3.88 116.67 118.76 2qub s ASP 532 Ca 0.03 -0.54 -0.05 0.00 0.71 0.00 0.00 52.55 52.70 2qub s ASP 532 Cb -0.20 -0.77 -0.03 0.00 1.01 0.00 0.00 42.92 42.93 2qub s ASP 532 CO 0.07 0.11 0.01 -0.63 0.21 0.00 0.00 175.17 174.94 2qub s ILE 533 N -1.67 4.07 -0.27 0.77 1.01 0.45 -1.10 121.20 124.46 2qub s ILE 533 Ca 0.25 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 2qub s ILE 533 Cb -0.09 -2.84 0.03 0.00 0.01 0.00 0.00 42.46 39.57 2qub s ILE 533 CO 0.16 0.43 -0.02 -0.76 0.00 0.00 0.00 174.94 174.75 2qub s LEU 534 N 0.91 3.46 -0.71 2.97 1.43 0.06 -0.66 118.68 126.13 2qub s LEU 534 Ca 0.01 -0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 52.12 2qub s LEU 534 Cb -0.14 -1.72 0.19 0.00 0.03 0.00 0.00 46.19 44.54 2qub s LEU 534 CO 0.02 -0.17 0.59 -0.54 0.23 0.00 0.00 176.35 176.49 2qub s LYS 535 N 1.35 3.07 0.18 1.70 1.02 0.08 -0.46 119.74 126.69 2qub s LYS 535 Ca -0.00 -2.44 -0.30 0.00 0.02 0.00 0.00 55.97 53.25 2qub s LYS 535 Cb -0.17 -4.09 -0.08 0.00 -0.52 0.00 0.00 37.83 32.96 2qub s LYS 535 CO -0.02 -1.23 1.31 0.20 -0.92 0.00 0.00 175.35 174.68 2qub s GLY 536 N 1.58 2.42 -0.03 -3.33 0.00 -0.01 -1.16 107.32 106.78 2qub s GLY 536 Ca 0.16 1.09 0.02 0.00 0.00 0.00 0.00 44.72 45.99 2qub s GLY 536 CO -0.06 2.08 -0.08 0.14 0.00 0.00 0.00 173.10 175.19 2qub s VAL 537 N 0.25 0.69 0.00 1.40 1.01 -1.26 -4.42 120.40 118.06 2qub s VAL 537 Ca 0.57 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2qub s VAL 537 Cb -0.36 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2qub s VAL 537 CO 0.37 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2qub n GLY 538 N 3.38 0.12 3.63 4.51 0.00 -1.26 -3.86 105.19 111.71 2qub n GLY 538 Ca -0.19 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 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 4.33 -0.51 1.61 0.01 -1.26 -4.75 114.94 110.37 2qub s ASN 539 Ca 0.00 -0.82 0.00 0.00 -0.71 0.00 0.00 52.86 51.33 2qub s ASN 539 Cb 0.00 -0.67 0.00 0.00 0.41 0.00 0.00 41.25 40.99 2qub s ASN 539 CO 0.00 -0.10 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 2qub n GLY 540 N -0.91 0.54 3.84 0.66 0.00 -1.24 -0.89 105.19 107.20 2qub n GLY 540 Ca -0.05 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.88 6.83 -0.08 1.61 0.01 -1.26 -3.58 114.94 115.59 2qub s ASN 541 Ca 0.00 1.44 0.04 0.00 -0.71 0.00 0.00 52.86 53.63 2qub s ASN 541 Cb 0.00 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.21 2qub s ASN 541 CO 0.00 -0.28 -0.21 -0.89 -1.51 0.00 0.00 177.10 174.21 2qub s THR 542 N -2.08 2.36 -0.22 1.60 2.01 -0.32 -1.16 115.64 117.83 2qub s THR 542 Ca 0.57 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 2qub s THR 542 Cb -0.10 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.51 2qub s THR 542 CO 0.16 0.56 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.22 2qub s PHE 543 N 0.05 2.95 -0.12 4.92 0.08 -0.10 -0.22 117.98 125.54 2qub s PHE 543 Ca -0.09 -1.18 0.01 0.00 0.12 0.00 0.00 56.93 55.79 2qub s PHE 543 Cb -0.15 -2.07 -0.01 0.00 -0.57 0.00 0.00 43.02 40.21 2qub s PHE 543 CO 0.05 -0.63 -0.14 -1.17 -0.10 0.00 0.00 175.22 173.23 2qub s LEU 544 N 1.42 2.66 -0.02 -0.37 2.96 -0.22 -1.15 118.68 123.95 2qub s LEU 544 Ca 0.04 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2qub s LEU 544 Cb -0.15 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 44.97 2qub s LEU 544 CO -0.05 0.18 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.77 2qub s PHE 545 N 0.24 0.53 -0.01 5.38 0.08 -0.17 -4.41 117.98 119.62 2qub s PHE 545 Ca -0.10 -0.11 -0.03 0.00 0.12 0.00 0.00 56.93 56.82 2qub s PHE 545 Cb -0.16 -0.46 0.00 0.00 -0.57 0.00 0.00 43.02 41.84 2qub s PHE 545 CO 0.06 -0.10 0.07 0.45 -0.10 0.00 0.00 175.22 175.59 2qub s SER 546 N 0.53 0.01 1.03 1.36 0.15 -1.26 -1.47 113.70 114.05 2qub s SER 546 Ca -0.06 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2qub s SER 546 Cb -0.10 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2qub s SER 546 CO -0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2qub n GLY 547 N 2.37 2.97 3.47 9.45 0.00 -1.01 -3.93 105.19 118.52 2qub n GLY 547 Ca -0.17 -0.33 -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 6.30 0.00 1.61 1.01 -1.26 -4.63 116.67 115.69 2qub s ASP 548 Ca 0.00 -1.21 0.19 0.00 0.71 0.00 0.00 52.55 52.24 2qub s ASP 548 Cb 0.00 -2.44 0.44 0.00 1.01 0.00 0.00 42.92 41.93 2qub s ASP 548 CO 0.00 -1.40 1.36 2.22 0.21 0.00 0.00 175.17 177.56 2qub n PHE 549 N 7.71 0.61 -4.26 4.23 1.16 -1.25 -4.62 117.46 121.04 2qub n PHE 549 Ca 0.06 -0.38 0.00 0.00 -1.87 0.00 0.00 57.45 55.25 2qub n PHE 549 Cb 0.47 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.33 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 1.21 -0.80 3.10 4.97 0.00 -1.26 -4.36 105.19 108.04 2qub n GLY 550 Ca 0.18 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 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 2.01 0.21 1.61 0.52 -1.26 -0.86 118.95 121.18 2qub s ARG 551 Ca 0.00 -1.60 0.05 0.00 -0.52 0.00 0.00 55.73 53.66 2qub s ARG 551 Cb 0.00 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 2qub s ARG 551 CO 0.00 -0.82 0.23 -0.51 0.02 0.00 0.00 175.30 174.22 2qub s ASP 552 N 1.27 5.85 -0.11 0.23 1.11 -0.05 -3.53 116.67 121.44 2qub s ASP 552 Ca 0.02 -0.07 0.03 0.00 0.18 0.00 0.00 52.55 52.72 2qub s ASP 552 Cb -0.20 -1.61 0.00 0.00 1.07 0.00 0.00 42.92 42.18 2qub s ASP 552 CO -0.05 0.00 -0.23 -1.10 1.18 0.00 0.00 175.17 174.97 2qub s GLN 553 N -3.55 3.06 -0.25 8.23 -0.21 -0.25 -1.49 119.66 125.20 2qub s GLN 553 Ca 0.33 -0.87 -0.00 0.00 0.02 0.00 0.00 55.36 54.84 2qub s GLN 553 Cb -0.09 -2.34 0.04 0.00 1.00 0.00 0.00 33.01 31.61 2qub s GLN 553 CO 0.26 0.14 -0.08 -1.17 -2.12 0.00 0.00 175.29 172.32 2qub s LEU 554 N 0.44 3.20 0.02 2.90 0.20 0.70 -0.76 118.68 125.39 2qub s LEU 554 Ca -0.16 -1.03 -0.02 0.00 0.69 0.00 0.00 54.13 53.61 2qub s LEU 554 Cb -0.17 -1.62 -0.04 0.00 -0.43 0.00 0.00 46.19 43.93 2qub s LEU 554 CO 0.07 -0.14 0.18 -0.31 -0.29 0.00 0.00 176.35 175.86 2qub s TYR 555 N 1.25 3.52 0.00 5.38 2.02 0.40 -1.39 117.35 128.53 2qub s TYR 555 Ca -0.02 0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.98 2qub s TYR 555 Cb -0.17 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 2qub s TYR 555 CO -0.05 0.62 0.00 0.41 -1.57 0.00 0.00 175.55 174.96 2qub n GLY 556 N 0.72 0.49 3.77 0.71 0.00 -1.26 -0.83 105.19 108.78 2qub n GLY 556 Ca -0.09 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 2qub n GLY 556 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qub s PHE 557 N -2.00 2.75 0.34 1.61 5.36 -1.26 -4.74 117.98 120.04 2qub s PHE 557 Ca 0.00 1.09 0.04 0.00 -0.96 0.00 0.00 56.93 57.10 2qub s PHE 557 Cb 0.00 -3.96 -0.02 0.00 -0.34 0.00 0.00 43.02 38.71 2qub s PHE 557 CO 0.00 -2.94 0.37 0.54 -1.46 0.00 0.00 175.22 171.74 2qub s ASN 558 N 0.03 1.44 0.40 6.13 2.20 -1.26 -5.01 114.94 118.87 2qub s ASN 558 Ca 0.56 -1.67 0.28 0.00 -0.94 0.00 0.00 52.86 51.08 2qub s ASN 558 Cb -0.45 0.61 1.38 0.00 -2.00 0.00 0.00 41.25 40.79 2qub s ASN 558 CO 0.55 -1.18 1.85 0.00 -2.94 0.00 0.00 177.10 175.38 2qub h ALA 559 N 2.10 1.00 -0.00 3.54 0.00 -1.95 -1.68 119.26 122.27 2qub h ALA 559 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2qub h ALA 559 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2qub h ALA 559 CO 0.37 0.00 -0.49 -1.13 0.00 0.00 0.00 179.25 178.00 2qub n SER 560 N -2.52 0.86 -4.94 0.00 3.41 -1.26 -4.97 113.62 104.20 2qub n SER 560 Ca -0.00 -0.66 -0.24 0.00 -0.26 0.00 0.00 58.87 57.71 2qub n SER 560 Cb 0.14 0.33 0.03 0.00 -0.26 0.00 0.00 64.21 64.45 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 -2.80 5.49 0.00 4.04 1.01 -0.63 -3.62 116.67 120.16 2qub s ASP 561 Ca 0.16 0.35 0.01 0.00 0.71 0.00 0.00 52.55 53.77 2qub s ASP 561 Cb 0.18 -1.35 -0.01 0.00 1.01 0.00 0.00 42.92 42.75 2qub s ASP 561 CO 0.65 -1.03 -0.03 -0.75 0.21 0.00 0.00 175.17 174.22 2qub s LYS 562 N -4.82 0.25 -0.15 8.23 2.20 -0.31 -4.80 119.74 120.34 2qub s LYS 562 Ca 0.54 -0.19 -0.04 0.00 -0.36 0.00 0.00 55.97 55.92 2qub s LYS 562 Cb -0.10 -0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.00 2qub s LYS 562 CO 0.41 0.05 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.91 2qub s LEU 563 N -0.30 3.32 -0.13 5.43 1.43 0.09 -0.93 118.68 127.59 2qub s LEU 563 Ca -0.01 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 2qub s LEU 563 Cb -0.03 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.42 2qub s LEU 563 CO -0.00 0.20 -0.13 -0.69 0.23 0.00 0.00 176.35 175.95 2qub s VAL 564 N 0.20 1.45 -0.18 -1.59 1.01 -0.30 -1.07 120.40 119.92 2qub s VAL 564 Ca -0.01 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 2qub s VAL 564 Cb -0.14 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2qub s VAL 564 CO 0.03 0.44 -0.15 -0.36 0.00 0.00 0.00 175.10 175.05 2qub s PHE 565 N 1.43 2.82 -0.10 5.22 0.08 0.13 -1.00 117.98 126.57 2qub s PHE 565 Ca 0.03 -1.32 0.01 0.00 0.12 0.00 0.00 56.93 55.77 2qub s PHE 565 Cb -0.13 -1.96 0.02 0.00 -0.57 0.00 0.00 43.02 40.38 2qub s PHE 565 CO -0.09 -0.66 -0.13 0.42 -0.10 0.00 0.00 175.22 174.67 2qub s ILE 566 N 1.22 1.31 -1.22 0.64 1.01 -0.54 -0.41 121.20 123.21 2qub s ILE 566 Ca 0.03 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 2qub s ILE 566 Cb -0.14 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.11 2qub s ILE 566 CO -0.07 0.40 1.04 0.61 0.00 0.00 0.00 174.94 176.93 2qub n GLY 567 N 4.32 -0.40 3.89 6.18 0.00 -0.68 -2.48 105.19 116.02 2qub n GLY 567 Ca -0.18 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.32 4.26 0.38 2.61 -4.23 -1.26 -2.39 115.64 111.69 2qub s THR 568 Ca 0.31 -1.24 -0.26 0.00 -1.18 0.00 0.00 61.69 59.32 2qub s THR 568 Cb -0.14 -3.43 -0.11 0.00 1.34 0.00 0.00 72.50 70.17 2qub s THR 568 CO 0.69 -0.26 1.21 -0.62 -0.54 0.00 0.00 174.62 175.10 2qub n GLU 569 N -1.37 1.85 0.00 3.99 1.02 -1.26 -4.84 120.64 120.03 2qub n GLU 569 Ca -0.05 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 2qub n GLU 569 Cb 0.58 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 2qub n GLU 569 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qub n GLY 570 N 0.89 2.37 0.08 0.62 0.00 -1.26 -4.85 105.19 103.04 2qub n GLY 570 Ca 0.07 -1.54 0.06 0.00 0.00 0.00 0.00 46.02 44.61 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 1.71 2.33 -1.77 4.61 0.00 -1.26 -4.84 120.51 121.30 2qub n ALA 571 Ca 0.00 -0.49 -0.39 0.00 0.00 0.00 0.00 53.44 52.56 2qub n ALA 571 Cb 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 -5.28 6.62 0.00 0.00 0.15 -1.26 -4.95 113.70 108.98 2qub s SER 572 Ca -0.04 2.52 0.22 0.00 0.70 0.00 0.00 55.95 59.35 2qub s SER 572 Cb 0.10 -2.63 0.58 0.00 -1.71 0.00 0.00 66.02 62.36 2qub s SER 572 CO 0.83 -0.62 1.49 0.61 1.20 0.00 0.00 173.24 176.75 2qub n GLY 573 N 0.76 2.15 3.32 9.45 0.00 -1.26 -4.88 105.19 114.73 2qub n GLY 573 Ca 0.02 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.15 4.86 0.59 1.61 3.84 -1.26 -4.87 114.94 118.56 2qub s ASN 574 Ca 0.45 -0.63 0.32 0.00 0.21 0.00 0.00 52.86 53.21 2qub s ASN 574 Cb 0.24 -1.83 1.83 0.00 -0.55 0.00 0.00 41.25 40.94 2qub s ASN 574 CO 0.32 -0.14 2.22 -0.29 -2.79 0.00 0.00 177.10 176.42 2qub h ILE 575 N 5.85 0.40 -0.02 -5.21 6.09 -1.98 -1.55 117.51 121.10 2qub h ILE 575 Ca -0.34 -0.18 0.01 0.00 -1.37 0.00 0.00 64.86 62.98 2qub h ILE 575 Cb 1.13 1.12 -0.00 0.00 0.47 0.00 0.00 36.82 39.55 2qub h ILE 575 CO 0.60 0.03 0.02 0.03 -3.07 0.00 0.00 178.15 175.76 2qub h ARG 576 N 0.00 0.00 0.00 2.19 3.08 -1.96 -1.70 114.38 115.99 2qub h ARG 576 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qub h ARG 576 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2qub h ARG 576 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 179.97 178.46 2qub h ASP 577 N 0.00 0.00 0.01 7.04 3.32 -1.71 -2.88 116.42 122.20 2qub h ASP 577 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2qub h ASP 577 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2qub h ASP 577 CO -0.00 0.00 -0.90 -1.22 -1.72 0.00 0.00 179.24 175.40 2qub n TYR 578 N -2.99 0.00 -3.73 4.55 4.01 -0.65 -5.01 117.16 113.34 2qub n TYR 578 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 2qub n TYR 578 Cb 0.27 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.23 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 -2.91 3.81 -0.01 -0.72 0.00 -1.09 -1.16 121.76 119.69 2qub s ALA 579 Ca 0.10 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2qub s ALA 579 Cb 0.16 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 21.17 2qub s ALA 579 CO 0.81 0.58 0.00 0.95 0.00 0.00 0.00 175.76 178.10 2qub s THR 580 N -1.08 0.02 -0.23 0.00 -4.23 -0.43 -5.00 115.64 104.69 2qub s THR 580 Ca 0.19 0.03 -0.18 0.00 -1.18 0.00 0.00 61.69 60.55 2qub s THR 580 Cb -0.14 -0.06 -0.03 0.00 1.34 0.00 0.00 72.50 73.62 2qub s THR 580 CO 0.09 0.03 0.53 -1.58 -0.54 0.00 0.00 174.62 173.15 2qub s GLN 581 N 0.23 4.13 -0.37 3.99 2.00 -1.26 -0.63 119.66 127.76 2qub s GLN 581 Ca -0.02 0.39 0.00 0.00 -2.00 0.00 0.00 55.36 53.74 2qub s GLN 581 Cb -0.03 -3.61 0.10 0.00 0.80 0.00 0.00 33.01 30.27 2qub s GLN 581 CO -0.01 -0.27 0.11 -0.65 -0.50 0.00 0.00 175.29 173.98 2qub s GLN 582 N 2.03 1.80 5.62 1.67 -0.21 0.13 -4.99 119.66 125.71 2qub s GLN 582 Ca 0.23 -1.80 0.00 0.00 0.02 0.00 0.00 55.36 53.81 2qub s GLN 582 Cb -0.16 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.48 2qub s GLN 582 CO 0.09 -0.97 0.00 0.09 -2.12 0.00 0.00 175.29 172.38 2qub n ASN 583 N 4.44 0.00 -0.07 5.90 5.03 -1.26 -0.93 115.26 128.36 2qub n ASN 583 Ca -0.00 0.00 0.15 0.00 0.87 0.00 0.00 54.58 55.60 2qub n ASN 583 Cb 0.42 0.00 0.85 0.00 -1.02 0.00 0.00 39.78 40.03 2qub n ASN 583 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2qub n ASP 584 N 4.18 0.21 -4.52 6.41 8.00 -1.26 -4.85 116.55 124.73 2qub n ASP 584 Ca 0.00 -1.11 -0.32 0.00 0.71 0.00 0.00 54.79 54.07 2qub n ASP 584 Cb 0.00 -0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.96 4.20 -0.24 -2.24 1.01 -0.11 -2.26 116.67 115.07 2qub s ASP 585 Ca 0.45 -0.24 -0.11 0.00 0.71 0.00 0.00 52.55 53.36 2qub s ASP 585 Cb 0.21 -0.87 -0.05 0.00 1.01 0.00 0.00 42.92 43.22 2qub s ASP 585 CO 0.35 0.30 0.17 -0.22 0.21 0.00 0.00 175.17 175.98 2qub s LEU 586 N -1.19 4.12 -0.23 1.23 2.96 -0.70 0.18 118.68 125.05 2qub s LEU 586 Ca 0.14 0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 54.12 2qub s LEU 586 Cb -0.11 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 2qub s LEU 586 CO 0.04 0.06 0.05 -0.69 -1.32 0.00 0.00 176.35 174.49 2qub s VAL 587 N 1.05 4.22 -0.40 1.68 1.01 0.20 -0.01 120.40 128.15 2qub s VAL 587 Ca 0.08 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 2qub s VAL 587 Cb -0.13 -2.95 0.04 0.00 0.00 0.00 0.00 36.38 33.34 2qub s VAL 587 CO 0.04 0.38 0.26 -0.76 0.00 0.00 0.00 175.10 175.02 2qub s LEU 588 N 1.32 4.99 -0.20 3.92 1.43 -0.13 -1.31 118.68 128.71 2qub s LEU 588 Ca 0.05 -1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 51.92 2qub s LEU 588 Cb -0.15 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 2qub s LEU 588 CO 0.03 -0.46 0.11 0.00 0.23 0.00 0.00 176.35 176.25 2qub s ALA 589 N 1.56 3.59 -0.46 4.21 0.00 -0.31 -1.46 121.76 128.88 2qub s ALA 589 Ca 0.03 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.34 2qub s ALA 589 Cb -0.21 -2.10 0.39 0.00 0.00 0.00 0.00 23.12 21.20 2qub s ALA 589 CO 0.06 0.13 0.97 1.19 0.00 0.00 0.00 175.76 178.12 2qub n PHE 590 N 3.60 2.80 0.00 0.00 3.72 0.81 -4.79 117.46 123.59 2qub n PHE 590 Ca -0.16 -3.49 0.00 0.00 -0.05 0.00 0.00 57.45 53.75 2qub n PHE 590 Cb 0.52 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.22 2.81 0.03 1.37 0.00 -1.26 -2.29 105.19 105.64 2qub n GLY 591 Ca 0.29 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.41 2qub n GLY 591 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qub n HIS 592 N 8.31 0.18 -4.46 1.61 8.25 -1.26 -4.74 115.22 123.11 2qub n HIS 592 Ca 0.00 0.07 -0.24 0.00 -0.26 0.00 0.00 57.72 57.29 2qub n HIS 592 Cb 0.00 -0.62 -0.10 0.00 1.12 0.00 0.00 29.99 30.39 2qub n HIS 592 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2qub s SER 593 N -3.27 3.59 0.03 0.41 0.01 -0.97 -4.58 113.70 108.92 2qub s SER 593 Ca 0.06 -1.00 -0.28 0.00 1.31 0.00 0.00 55.95 56.04 2qub s SER 593 Cb 0.09 -0.30 0.09 0.00 0.21 0.00 0.00 66.02 66.11 2qub s SER 593 CO 0.28 0.05 0.88 0.00 0.41 0.00 0.00 173.24 174.86 2qub s GLN 594 N -3.39 0.91 -0.05 12.44 -2.07 -0.04 -0.14 119.66 127.33 2qub s GLN 594 Ca 0.29 -0.37 0.02 0.00 -1.82 0.00 0.00 55.36 53.48 2qub s GLN 594 Cb -0.05 0.40 0.01 0.00 -1.09 0.00 0.00 33.01 32.27 2qub s GLN 594 CO 0.14 -0.40 -0.10 0.54 -1.32 0.00 0.00 175.29 174.15 2qub s VAL 595 N -3.19 0.93 -0.30 3.63 0.11 -0.54 -0.87 120.40 120.17 2qub s VAL 595 Ca 0.06 -0.39 -0.11 0.00 -2.93 0.00 0.00 61.98 58.62 2qub s VAL 595 Cb -0.01 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 2qub s VAL 595 CO -0.08 0.30 0.18 -0.89 -3.33 0.00 0.00 175.10 171.28 2qub s THR 596 N 0.54 4.92 -0.49 5.04 2.01 -0.55 -0.96 115.64 126.14 2qub s THR 596 Ca -0.10 -0.20 -0.20 0.00 0.31 0.00 0.00 61.69 61.49 2qub s THR 596 Cb -0.13 -3.45 0.04 0.00 0.01 0.00 0.00 72.50 68.97 2qub s THR 596 CO 0.02 0.12 0.68 -0.76 -0.69 0.00 0.00 174.62 173.99 2qub s LEU 597 N 1.68 4.67 0.10 4.42 1.02 0.98 -0.21 118.68 131.34 2qub s LEU 597 Ca 0.06 -0.64 -0.31 0.00 0.02 0.00 0.00 54.13 53.26 2qub s LEU 597 Cb -0.17 -2.60 -0.07 0.00 0.02 0.00 0.00 46.19 43.37 2qub s LEU 597 CO 0.08 -0.91 1.33 -0.63 0.02 0.00 0.00 176.35 176.24 2qub s ILE 598 N 2.91 3.50 -1.16 -0.59 1.09 -0.49 -1.72 121.20 124.74 2qub s ILE 598 Ca 0.20 1.08 0.00 0.00 -1.10 0.00 0.00 60.65 60.83 2qub s ILE 598 Cb -0.16 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.54 2qub s ILE 598 CO 0.15 0.09 0.00 0.61 -0.10 0.00 0.00 174.94 175.69 2qub n GLY 599 N 3.36 0.34 3.29 6.18 0.00 -0.96 -4.58 105.19 112.83 2qub n GLY 599 Ca 0.11 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.58 1.88 0.13 1.61 1.01 -1.02 -4.99 120.40 116.44 2qub s VAL 600 Ca 0.00 -1.30 0.11 0.00 0.00 0.00 0.00 61.98 60.79 2qub s VAL 600 Cb 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2qub s VAL 600 CO 0.00 0.27 -0.26 -0.94 0.00 0.00 0.00 175.10 174.16 2qub s SER 601 N -1.24 3.36 0.41 3.32 1.04 -1.26 -3.01 113.70 116.32 2qub s SER 601 Ca 0.09 -0.73 0.09 0.00 0.48 0.00 0.00 55.95 55.89 2qub s SER 601 Cb -0.09 -0.25 0.90 0.00 0.10 0.00 0.00 66.02 66.67 2qub s SER 601 CO 0.02 0.18 2.02 0.25 0.98 0.00 0.00 173.24 176.70 2qub h LEU 602 N 3.91 0.46 0.00 2.42 5.85 -1.97 -1.93 115.31 124.05 2qub h LEU 602 Ca -0.51 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2qub h LEU 602 Cb 1.17 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2qub h LEU 602 CO 0.40 0.32 0.00 -0.90 -0.34 0.00 0.00 178.44 177.91 2qub n ASP 603 N -4.47 0.00 -0.88 1.25 5.68 -1.26 -2.06 116.55 114.81 2qub n ASP 603 Ca 0.06 0.14 0.09 0.00 -0.50 0.00 0.00 54.79 54.58 2qub n ASP 603 Cb 0.17 -0.31 0.17 0.00 -1.14 0.00 0.00 41.12 40.02 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 -1.31 0.41 -3.76 2.11 8.25 -0.72 -4.91 115.22 115.28 2qub n HIS 604 Ca 0.06 -0.28 -0.37 0.00 -0.26 0.00 0.00 57.72 56.87 2qub n HIS 604 Cb 0.11 -0.01 -0.13 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 -1.22 4.03 0.50 1.59 1.01 -0.87 -4.87 121.20 121.37 2qub s ILE 605 Ca 0.30 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 60.22 2qub s ILE 605 Cb 0.17 -3.02 -0.08 0.00 0.01 0.00 0.00 42.46 39.55 2qub s ILE 605 CO 0.24 0.16 0.99 -0.94 0.00 0.00 0.00 174.94 175.39 2qub s SER 606 N 1.53 6.54 0.47 3.58 1.04 -1.26 -4.94 113.70 120.67 2qub s SER 606 Ca 0.04 1.67 0.16 0.00 0.48 0.00 0.00 55.95 58.30 2qub s SER 606 Cb -0.16 -2.53 1.14 0.00 0.10 0.00 0.00 66.02 64.57 2qub s SER 606 CO 0.02 -0.64 2.03 0.71 0.98 0.00 0.00 173.24 176.34 2qub h THR 607 N 1.16 0.91 0.00 2.02 1.35 -1.98 -0.09 112.91 116.27 2qub h THR 607 Ca -0.48 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2qub h THR 607 Cb 1.19 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2qub h THR 607 CO 0.60 0.05 0.00 -0.90 -0.25 0.00 0.00 175.52 175.02 2qub n ASP 608 N -4.46 0.00 -0.29 5.36 5.75 -1.26 -3.06 116.55 118.58 2qub n ASP 608 Ca 0.07 0.16 0.15 0.00 -0.01 0.00 0.00 54.79 55.15 2qub n ASP 608 Cb 0.33 -0.36 0.65 0.00 -1.03 0.00 0.00 41.12 40.71 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 -1.36 1.33 -4.07 0.11 6.02 -0.05 -4.86 117.38 114.51 2qub n GLN 609 Ca 0.08 -0.59 -0.18 0.00 -0.01 0.00 0.00 57.00 56.30 2qub n GLN 609 Cb 0.20 -1.49 -0.16 0.00 1.02 0.00 0.00 30.24 29.81 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 -2.07 0.36 -0.17 5.09 1.01 -1.17 -0.73 120.40 122.72 2qub s VAL 610 Ca 0.39 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 2qub s VAL 610 Cb 0.21 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 36.18 2qub s VAL 610 CO 0.37 0.18 -0.12 -0.69 0.00 0.00 0.00 175.10 174.84 2qub s VAL 611 N 0.83 2.93 -0.32 2.92 1.01 -0.23 -5.00 120.40 122.54 2qub s VAL 611 Ca -0.10 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 2qub s VAL 611 Cb -0.13 -2.27 0.07 0.00 0.00 0.00 0.00 36.38 34.05 2qub s VAL 611 CO -0.01 0.49 0.04 -0.76 0.00 0.00 0.00 175.10 174.86 2qub s LEU 612 N 0.96 4.26 0.00 3.92 1.43 -1.26 -0.69 118.68 127.30 2qub s LEU 612 Ca -0.02 -1.57 0.00 0.00 -1.03 0.00 0.00 54.13 51.51 2qub s LEU 612 Cb -0.15 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.36 2qub s LEU 612 CO -0.01 -0.33 0.43 0.00 0.23 0.00 0.00 176.35 176.67