#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qua s HIS 0 N 0.00 3.73 -0.91 0.66 0.09 -1.26 -4.78 115.29 112.82 2qua s HIS 0 Ca 0.00 1.72 0.08 0.00 -0.00 0.00 0.00 55.06 56.87 2qua s HIS 0 Cb 0.00 -3.12 0.03 0.00 -0.00 0.00 0.00 32.58 29.49 2qua s HIS 0 CO 0.00 -0.03 0.67 -1.33 -0.00 0.00 0.00 174.74 174.04 2qua n MET 1 N 3.09 1.27 0.00 1.40 2.00 -1.25 -4.95 117.12 118.68 2qua n MET 1 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 57.70 56.97 2qua n MET 1 Cb 0.49 -1.09 0.00 0.00 0.00 0.00 0.00 33.22 32.62 2qua n MET 1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2qua n GLY 2 N 0.67 1.79 0.32 3.03 0.00 -0.10 -4.33 105.19 106.56 2qua n GLY 2 Ca 0.04 -1.59 0.07 0.00 0.00 0.00 0.00 46.02 44.55 2qua n GLY 2 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qua h ILE 3 N 0.00 1.02 -0.48 -0.61 2.10 -1.71 -2.02 117.51 115.81 2qua h ILE 3 Ca 0.00 -0.14 -0.05 0.00 1.08 0.00 0.00 64.86 65.75 2qua h ILE 3 Cb 0.00 0.57 -0.03 0.00 -1.09 0.00 0.00 36.82 36.27 2qua h ILE 3 CO 0.00 0.08 0.07 0.49 -1.08 0.00 0.00 178.15 177.70 2qua n PHE 4 N -4.48 1.69 -1.63 2.19 3.72 -1.26 -4.01 117.46 113.68 2qua n PHE 4 Ca 0.04 -0.68 -0.42 0.00 -0.05 0.00 0.00 57.45 56.34 2qua n PHE 4 Cb 0.17 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 2qua n PHE 4 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2qua n SER 5 N 0.31 1.59 -3.77 4.37 2.88 -0.76 -4.77 113.62 113.48 2qua n SER 5 Ca 0.24 1.09 -0.19 0.00 -1.33 0.00 0.00 58.87 58.69 2qua n SER 5 Cb 1.03 -1.37 -0.17 0.00 -0.75 0.00 0.00 64.21 62.95 2qua n SER 5 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2qua s TYR 6 N -1.21 0.29 0.00 0.66 5.04 -1.26 -5.03 117.35 115.84 2qua s TYR 6 Ca 0.61 0.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.29 2qua s TYR 6 Cb -0.58 -0.48 0.00 0.00 0.35 0.00 0.00 41.96 41.25 2qua s TYR 6 CO 0.58 -0.18 0.00 1.63 -1.34 0.00 0.00 175.55 176.25 2qua n LYS 7 N 4.61 0.00 -0.45 4.97 5.02 -1.26 -1.51 118.16 129.55 2qua n LYS 7 Ca -0.17 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.20 2qua n LYS 7 Cb 0.50 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.77 2qua n LYS 7 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2qua n ASP 8 N 2.48 3.92 -4.74 4.39 5.75 -1.26 -5.02 116.55 122.07 2qua n ASP 8 Ca 0.00 -2.81 -0.37 0.00 -0.01 0.00 0.00 54.79 51.61 2qua n ASP 8 Cb 0.00 -0.50 0.05 0.00 -1.03 0.00 0.00 41.12 39.64 2qua n ASP 8 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qua s LEU 9 N -2.46 3.63 0.73 -2.12 1.43 -0.57 -5.01 118.68 114.33 2qua s LEU 9 Ca 0.40 2.53 -0.11 0.00 -1.03 0.00 0.00 54.13 55.93 2qua s LEU 9 Cb 0.31 -4.59 0.03 0.00 0.03 0.00 0.00 46.19 41.97 2qua s LEU 9 CO 0.11 -1.80 1.08 1.51 0.23 0.00 0.00 176.35 177.48 2qua s ASP 10 N -1.45 4.94 0.26 2.29 1.47 -1.26 -4.78 116.67 118.13 2qua s ASP 10 Ca 0.80 1.73 -0.02 0.00 1.18 0.00 0.00 52.55 56.24 2qua s ASP 10 Cb -0.35 -2.51 0.46 0.00 -0.34 0.00 0.00 42.92 40.19 2qua s ASP 10 CO 0.37 -1.74 1.80 -0.08 0.68 0.00 0.00 175.17 176.20 2qua h GLU 11 N -0.89 0.76 0.00 2.11 4.81 -1.95 -1.43 114.58 117.99 2qua h GLU 11 Ca -0.44 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 58.62 2qua h GLU 11 Cb 1.22 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2qua h GLU 11 CO 0.54 0.50 -0.62 -0.91 -0.73 0.00 0.00 179.01 177.80 2qua h ASN 12 N 0.79 0.00 -0.14 1.04 2.35 -1.93 -1.31 115.58 116.37 2qua h ASN 12 Ca 0.43 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.12 2qua h ASN 12 Cb 0.47 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 2qua h ASN 12 CO -0.28 0.62 -0.18 0.00 -1.65 0.00 0.00 177.43 175.94 2qua h ALA 13 N 1.38 0.22 -0.50 -0.83 0.00 -1.67 -1.35 119.26 116.51 2qua h ALA 13 Ca -0.01 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.65 2qua h ALA 13 Cb 1.12 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 2qua h ALA 13 CO 0.08 0.13 0.05 0.77 0.00 0.00 0.00 179.25 180.28 2qua h SER 14 N -0.01 -0.11 -0.30 0.00 0.02 -1.17 -0.81 113.55 111.17 2qua h SER 14 Ca 0.02 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2qua h SER 14 Cb 0.73 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2qua h SER 14 CO 0.04 -0.03 0.08 0.11 -1.14 0.00 0.00 176.83 175.89 2qua h LYS 15 N 0.17 0.48 -0.84 3.45 1.57 -1.07 0.10 116.57 120.43 2qua h LYS 15 Ca 0.25 -0.11 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 2qua h LYS 15 Cb 0.36 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 2qua h LYS 15 CO -0.37 0.55 0.53 0.00 -0.57 0.00 0.00 179.45 179.59 2qua h ALA 16 N 0.91 1.12 -0.47 3.86 0.00 -1.10 -0.51 119.26 123.07 2qua h ALA 16 Ca 0.09 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2qua h ALA 16 Cb 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2qua h ALA 16 CO 0.00 0.34 -0.16 1.25 0.00 0.00 0.00 179.25 180.68 2qua h LEU 17 N 1.02 0.92 -0.64 0.00 5.85 -0.73 -2.02 115.31 119.70 2qua h LEU 17 Ca 0.35 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2qua h LEU 17 Cb 0.05 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2qua h LEU 17 CO -0.13 1.07 0.19 0.15 -0.34 0.00 0.00 178.44 179.37 2qua h PHE 18 N 0.80 1.05 -0.59 1.25 3.57 -0.12 -0.73 116.94 122.18 2qua h PHE 18 Ca 0.12 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2qua h PHE 18 Cb 0.71 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 2qua h PHE 18 CO 0.04 0.86 0.19 1.03 -2.23 0.00 0.00 178.31 178.21 2qua h SER 19 N 0.94 0.85 -0.15 0.41 0.87 -0.86 -1.17 113.55 114.44 2qua h SER 19 Ca 0.21 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2qua h SER 19 Cb 0.32 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2qua h SER 19 CO -0.00 0.83 0.08 0.44 -0.53 0.00 0.00 176.83 177.65 2qua h ASP 20 N 0.83 0.19 -0.14 6.23 3.32 -1.07 -2.30 116.42 123.49 2qua h ASP 20 Ca 0.19 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.16 2qua h ASP 20 Cb 0.27 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2qua h ASP 20 CO -0.01 0.23 0.08 0.00 -1.72 0.00 0.00 179.24 177.82 2qua h ALA 21 N 0.97 0.17 -0.49 3.45 0.00 -0.88 -1.96 119.26 120.53 2qua h ALA 21 Ca 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2qua h ALA 21 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2qua h ALA 21 CO -0.01 -0.35 0.19 1.25 0.00 0.00 0.00 179.25 180.33 2qua h LEU 22 N 0.17 0.64 -0.30 0.00 5.85 -1.21 0.00 115.31 120.46 2qua h LEU 22 Ca 0.05 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 2qua h LEU 22 Cb -0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2qua h LEU 22 CO -0.03 0.58 -0.00 0.00 -0.34 0.00 0.00 178.44 178.65 2qua h ALA 23 N 1.52 0.40 0.04 1.25 0.00 -0.98 -1.04 119.26 120.44 2qua h ALA 23 Ca 0.17 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 2qua h ALA 23 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2qua h ALA 23 CO -0.02 0.16 -1.02 -0.84 0.00 0.00 0.00 179.25 177.53 2qua h ILE 24 N 0.32 1.43 -0.22 0.00 3.07 -1.10 -1.30 117.51 119.71 2qua h ILE 24 Ca 0.08 -2.62 0.04 0.00 1.55 0.00 0.00 64.86 63.92 2qua h ILE 24 Cb 0.44 2.56 -0.03 0.00 -0.27 0.00 0.00 36.82 39.52 2qua h ILE 24 CO 0.02 0.77 -0.01 -1.28 -1.05 0.00 0.00 178.15 176.60 2qua h SER 25 N 0.18 -0.10 -0.01 2.16 0.87 -0.99 -2.36 113.55 113.30 2qua h SER 25 Ca -0.09 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2qua h SER 25 Cb 1.68 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.73 2qua h SER 25 CO 0.17 -0.02 -0.01 0.74 -0.53 0.00 0.00 176.83 177.18 2qua h THR 26 N 0.06 0.97 -0.85 2.23 2.02 -1.13 -3.02 112.91 113.19 2qua h THR 26 Ca 0.10 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.46 2qua h THR 26 Cb 0.13 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 2qua h THR 26 CO -0.18 0.00 0.57 0.22 0.37 0.00 0.00 175.52 176.50 2qua h TYR 27 N -0.01 0.55 -0.17 3.16 3.20 -1.01 -1.02 116.97 121.68 2qua h TYR 27 Ca 0.01 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.94 2qua h TYR 27 Cb 0.02 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 2qua h TYR 27 CO -0.09 0.17 0.20 0.00 -1.64 0.00 0.00 178.16 176.79 2qua h ALA 28 N 1.62 1.75 -0.00 1.82 0.00 -1.29 -0.92 119.26 122.25 2qua h ALA 28 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2qua h ALA 28 Cb 1.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2qua h ALA 28 CO -0.16 -0.28 -0.18 0.66 0.00 0.00 0.00 179.25 179.28 2qua n TYR 29 N -3.74 0.00 -4.20 0.00 4.01 -0.38 -4.78 117.16 108.06 2qua n TYR 29 Ca 0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.41 2qua n TYR 29 Cb 0.31 -0.28 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 2qua n TYR 29 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2qua n HIS 30 N -1.22 -1.66 -2.41 -0.72 8.25 -0.35 -1.70 115.22 115.41 2qua n HIS 30 Ca 0.10 0.77 -0.20 0.00 -0.26 0.00 0.00 57.72 58.14 2qua n HIS 30 Cb 0.31 -3.01 -0.01 0.00 1.12 0.00 0.00 29.99 28.40 2qua n HIS 30 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2qua n ASN 31 N -2.72 -5.68 -0.08 0.41 3.02 -1.26 -4.53 115.26 104.42 2qua n ASN 31 Ca -0.01 0.01 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 2qua n ASN 31 Cb 0.54 -4.73 0.51 0.00 -0.61 0.00 0.00 39.78 35.48 2qua n ASN 31 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2qua h ILE 32 N -0.01 0.89 -0.51 2.41 6.09 -1.67 -1.72 117.51 122.98 2qua h ILE 32 Ca -0.47 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 2qua h ILE 32 Cb 1.35 0.45 0.00 0.00 0.47 0.00 0.00 36.82 39.09 2qua h ILE 32 CO 0.56 0.07 0.00 -0.90 -3.07 0.00 0.00 178.15 174.81 2qua n ASP 33 N -4.47 3.98 -0.17 2.19 5.75 -1.26 -4.09 116.55 118.48 2qua n ASP 33 Ca 0.10 -2.39 -0.04 0.00 -0.01 0.00 0.00 54.79 52.45 2qua n ASP 33 Cb 0.39 -0.53 0.06 0.00 -1.03 0.00 0.00 41.12 40.01 2qua n ASP 33 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 2qua h ASN 34 N 3.26 0.36 -0.78 -1.12 -0.00 -1.44 0.07 115.58 115.93 2qua h ASN 34 Ca 0.00 0.03 -0.04 0.00 -0.00 0.00 0.00 56.30 56.29 2qua h ASN 34 Cb 1.26 -0.03 -0.03 0.00 -0.00 0.00 0.00 38.32 39.51 2qua h ASN 34 CO 0.21 0.24 0.32 1.23 -0.00 0.00 0.00 177.43 179.44 2qua h GLY 35 N 0.50 1.24 0.96 1.57 0.00 -1.38 -2.22 103.07 103.74 2qua h GLY 35 Ca 0.24 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2qua h GLY 35 CO -0.18 0.63 0.20 -2.75 0.00 0.00 0.00 176.54 174.44 2qua h PHE 36 N 1.12 0.55 -0.14 5.60 3.57 -1.60 0.11 116.94 126.15 2qua h PHE 36 Ca 0.26 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.79 2qua h PHE 36 Cb 0.20 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 2qua h PHE 36 CO 0.02 0.44 -0.32 0.22 -2.23 0.00 0.00 178.31 176.44 2qua h ASP 37 N 0.49 -1.01 -0.18 0.41 1.82 -0.84 0.33 116.42 117.45 2qua h ASP 37 Ca 0.13 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.92 2qua h ASP 37 Cb 0.09 0.43 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 2qua h ASP 37 CO -0.02 -0.36 0.11 -0.08 -1.61 0.00 0.00 179.24 177.28 2qua h GLU 38 N -0.40 0.23 -0.09 0.28 4.81 -1.14 -2.58 114.58 115.70 2qua h GLU 38 Ca 0.10 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2qua h GLU 38 Cb 0.55 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 2qua h GLU 38 CO -0.36 0.17 0.01 0.78 -0.73 0.00 0.00 179.01 178.88 2qua h GLY 39 N 0.23 0.16 -0.36 1.92 0.00 -0.38 -2.01 103.07 102.63 2qua h GLY 39 Ca 0.06 -0.11 0.09 0.00 0.00 0.00 0.00 47.33 47.38 2qua h GLY 39 CO -0.01 0.10 -0.36 -1.82 0.00 0.00 0.00 176.54 174.45 2qua h TYR 40 N -0.11 -1.00 -0.24 5.60 3.20 -0.39 0.15 116.97 124.18 2qua h TYR 40 Ca 0.03 0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 2qua h TYR 40 Cb 0.31 0.51 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 2qua h TYR 40 CO 0.02 -0.39 -0.14 0.45 -1.64 0.00 0.00 178.16 176.46 2qua h HIS 41 N -0.21 0.43 0.16 -3.82 3.86 -1.35 0.13 115.15 114.35 2qua h HIS 41 Ca 0.20 -0.06 -0.21 0.00 -1.16 0.00 0.00 60.37 59.14 2qua h HIS 41 Cb 0.55 -0.12 0.02 0.00 1.06 0.00 0.00 27.41 28.93 2qua h HIS 41 CO -0.62 0.53 -0.92 0.37 0.86 0.00 0.00 177.93 178.15 2qua h GLN 42 N 0.37 0.34 0.00 2.45 4.15 -0.69 0.25 115.11 121.98 2qua h GLN 42 Ca 0.07 -0.58 0.00 0.00 0.77 0.00 0.00 58.65 58.91 2qua h GLN 42 Cb 0.47 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.37 2qua h GLN 42 CO 0.03 1.28 0.00 0.25 -1.93 0.00 0.00 178.83 178.45 2qua n THR 43 N -4.06 0.00 -3.95 2.39 -2.24 0.46 -4.63 114.28 102.25 2qua n THR 43 Ca -0.14 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 2qua n THR 43 Cb 0.87 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 70.23 2qua n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qua n GLY 44 N 0.40 -0.65 0.26 3.38 0.00 0.44 -3.61 105.19 105.41 2qua n GLY 44 Ca 0.00 -1.17 0.02 0.00 0.00 0.00 0.00 46.02 44.87 2qua n GLY 44 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qua n PHE 45 N 0.00 0.00 0.00 1.61 7.35 -1.26 -4.18 117.46 120.98 2qua n PHE 45 Ca 0.00 -0.21 0.00 0.00 -0.76 0.00 0.00 57.45 56.48 2qua n PHE 45 Cb 0.00 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.78 2qua n PHE 45 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2qua n GLY 46 N -0.29 1.35 0.29 7.13 0.00 -1.26 -4.67 105.19 107.74 2qua n GLY 46 Ca 0.03 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.22 2qua n GLY 46 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qua h LEU 47 N 0.00 0.00 -0.70 0.99 3.38 -1.95 -1.74 115.31 115.28 2qua h LEU 47 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qua h LEU 47 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qua h LEU 47 CO 0.00 0.04 -0.03 0.61 0.09 0.00 0.00 178.44 179.15 2qua n GLY 48 N -0.80 -0.30 0.28 0.83 0.00 -1.24 -4.41 105.19 99.55 2qua n GLY 48 Ca -0.02 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.67 2qua n GLY 48 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qua h LEU 49 N 1.71 0.27 -1.25 0.99 5.85 -1.46 -0.44 115.31 120.98 2qua h LEU 49 Ca 0.00 0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.92 2qua h LEU 49 Cb 0.41 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 2qua h LEU 49 CO 0.00 0.09 0.55 -0.65 -0.34 0.00 0.00 178.44 178.10 2qua h PRO 50 N 0.44 0.83 -0.31 5.25 0.11 -1.82 -0.91 132.00 135.59 2qua h PRO 50 Ca 0.42 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.35 2qua h PRO 50 Cb 0.65 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 2qua h PRO 50 CO -0.41 0.55 -0.32 -0.07 -0.21 0.00 0.00 178.00 177.53 2qua h LEU 51 N 0.86 0.83 -0.63 2.35 3.38 -1.44 -2.83 115.31 117.82 2qua h LEU 51 Ca 0.39 -0.47 0.09 0.00 0.09 0.00 0.00 57.88 57.97 2qua h LEU 51 Cb 0.37 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 2qua h LEU 51 CO -0.15 1.13 0.27 0.74 0.09 0.00 0.00 178.44 180.52 2qua h THR 52 N 0.54 0.82 -0.45 0.22 2.02 -0.63 -1.79 112.91 113.64 2qua h THR 52 Ca 0.05 -0.17 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 2qua h THR 52 Cb 0.90 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2qua h THR 52 CO 0.08 0.09 -0.08 -0.07 0.37 0.00 0.00 175.52 175.91 2qua h LEU 53 N 0.49 0.78 -0.18 2.58 3.38 -1.07 -0.59 115.31 120.70 2qua h LEU 53 Ca 0.31 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2qua h LEU 53 Cb 0.34 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2qua h LEU 53 CO -0.27 0.89 -0.12 0.40 0.09 0.00 0.00 178.44 179.43 2qua h ILE 54 N 0.72 1.32 -0.48 1.22 2.04 -1.24 -2.50 117.51 118.59 2qua h ILE 54 Ca 0.13 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.80 2qua h ILE 54 Cb 0.55 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 2qua h ILE 54 CO 0.03 0.36 0.32 0.74 0.00 0.00 0.00 178.15 179.60 2qua h THR 55 N 0.06 1.06 0.00 -0.27 2.02 -1.14 0.81 112.91 115.46 2qua h THR 55 Ca 0.04 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 2qua h THR 55 Cb 0.62 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2qua h THR 55 CO 0.03 0.10 -0.16 0.00 0.37 0.00 0.00 175.52 175.87 2qua h ALA 56 N 1.72 1.32 0.14 6.16 0.00 -0.69 0.17 119.26 128.08 2qua h ALA 56 Ca 0.19 -0.14 -0.35 0.00 0.00 0.00 0.00 54.91 54.61 2qua h ALA 56 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2qua h ALA 56 CO -0.05 0.20 -1.85 -0.07 0.00 0.00 0.00 179.25 177.49 2qua h LEU 57 N 0.00 0.47 -1.49 0.00 3.38 -0.53 -1.95 115.31 115.19 2qua h LEU 57 Ca -0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 2qua h LEU 57 Cb 0.40 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2qua h LEU 57 CO 0.02 1.81 0.00 2.30 0.09 0.00 0.00 178.44 182.66 2qua n ILE 58 N -3.59 0.32 -4.97 1.22 -5.35 -0.37 -1.67 119.36 104.94 2qua n ILE 58 Ca -0.29 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 2qua n ILE 58 Cb 1.03 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.92 2qua n ILE 58 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qua n GLY 59 N -0.16 2.30 0.00 3.28 0.00 0.59 -4.35 105.19 106.85 2qua n GLY 59 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2qua n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qua n SER 60 N -0.21 0.00 0.01 1.61 3.41 0.55 -4.74 113.62 114.25 2qua n SER 60 Ca 0.00 -0.37 0.10 0.00 -0.26 0.00 0.00 58.87 58.34 2qua n SER 60 Cb 0.00 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.39 2qua n SER 60 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qua n THR 61 N 0.00 0.59 0.42 6.66 -2.24 -1.25 -3.51 114.28 114.95 2qua n THR 61 Ca 0.00 0.14 0.04 0.00 -2.27 0.00 0.00 64.05 61.96 2qua n THR 61 Cb 0.00 -0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 67.41 2qua n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qua n GLN 62 N -1.54 2.93 -3.63 -0.78 6.02 -1.26 -4.14 117.38 114.98 2qua n GLN 62 Ca 0.05 -0.34 -0.11 0.00 -0.01 0.00 0.00 57.00 56.59 2qua n GLN 62 Cb 0.24 -1.01 -0.05 0.00 1.02 0.00 0.00 30.24 30.45 2qua n GLN 62 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2qua s SER 63 N -1.54 -0.25 -0.17 1.08 1.04 -1.23 -4.86 113.70 107.77 2qua s SER 63 Ca 0.06 -0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.24 2qua s SER 63 Cb 0.07 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 2qua s SER 63 CO 0.29 -0.82 -0.14 -1.58 0.98 0.00 0.00 173.24 171.97 2qua s GLN 64 N -3.57 3.22 0.00 4.02 0.74 -1.26 -0.33 119.66 122.48 2qua s GLN 64 Ca 0.01 -0.74 0.00 0.00 0.05 0.00 0.00 55.36 54.69 2qua s GLN 64 Cb 0.01 -2.67 0.00 0.00 1.10 0.00 0.00 33.01 31.45 2qua s GLN 64 CO -0.10 -0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.02 2qua n GLY 65 N 4.20 -0.41 0.23 2.59 0.00 -1.26 -1.20 105.19 109.33 2qua n GLY 65 Ca -0.19 -1.68 0.08 0.00 0.00 0.00 0.00 46.02 44.23 2qua n GLY 65 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qua h GLY 66 N 0.00 0.00 -4.50 -0.02 0.00 -0.96 -3.44 103.07 94.14 2qua h GLY 66 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2qua h GLY 66 CO 0.00 0.00 0.39 -2.27 0.00 0.00 0.00 176.54 174.66 2qua s LEU 67 N -7.84 4.34 0.73 3.11 2.96 -0.67 -4.76 118.68 116.56 2qua s LEU 67 Ca -0.03 1.61 -0.08 0.00 -0.22 0.00 0.00 54.13 55.41 2qua s LEU 67 Cb 0.14 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.35 2qua s LEU 67 CO 0.66 -0.29 1.05 -2.16 -1.32 0.00 0.00 176.35 174.29 2qua s PRO 68 N 1.20 2.16 -0.23 0.98 0.04 -1.26 -4.61 135.00 133.29 2qua s PRO 68 Ca 0.51 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.39 2qua s PRO 68 Cb -0.20 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2qua s PRO 68 CO 0.26 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.40 2qua n GLY 69 N -3.01 0.52 3.57 0.56 0.00 -1.26 -5.00 105.19 100.57 2qua n GLY 69 Ca 0.08 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2qua n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qua s LEU 70 N -0.48 4.26 0.11 0.99 1.43 -1.26 -4.95 118.68 118.78 2qua s LEU 70 Ca 0.00 0.07 0.19 0.00 -1.03 0.00 0.00 54.13 53.36 2qua s LEU 70 Cb 0.00 -2.52 0.79 0.00 0.03 0.00 0.00 46.19 44.49 2qua s LEU 70 CO 0.00 -0.37 1.58 -0.81 0.23 0.00 0.00 176.35 176.98 2qua n PRO 71 N 5.56 0.09 0.00 1.29 -0.04 -1.26 -1.97 135.00 138.67 2qua n PRO 71 Ca -0.06 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 2qua n PRO 71 Cb 0.49 -1.66 0.29 0.00 -0.04 0.00 0.00 33.50 32.59 2qua n PRO 71 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2qua n TRP 72 N -1.82 0.00 -2.56 0.54 2.14 -1.26 -4.88 117.44 109.59 2qua n TRP 72 Ca 0.03 0.00 -0.34 0.00 2.07 0.00 0.00 57.50 59.26 2qua n TRP 72 Cb 0.20 -0.18 -0.04 0.00 -0.81 0.00 0.00 31.31 30.48 2qua n TRP 72 CO 0.00 0.00 0.00 -0.80 2.07 0.00 0.00 177.69 178.96 2qua s ASN 73 N -2.77 6.39 0.88 -0.67 0.02 -0.83 -3.89 114.94 114.07 2qua s ASN 73 Ca 0.17 1.92 -0.12 0.00 -1.02 0.00 0.00 52.86 53.81 2qua s ASN 73 Cb 0.18 -2.56 0.12 0.00 0.02 0.00 0.00 41.25 39.01 2qua s ASN 73 CO 0.62 -0.75 1.10 -2.16 0.02 0.00 0.00 177.10 175.93 2qua s PRO 74 N -3.20 1.36 -1.08 -0.60 0.04 -1.26 -4.95 135.00 125.32 2qua s PRO 74 Ca 0.67 0.64 -0.20 0.00 0.04 0.00 0.00 61.00 62.14 2qua s PRO 74 Cb -0.16 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.63 2qua s PRO 74 CO 0.20 -2.12 1.44 0.34 0.04 0.00 0.00 177.00 176.89 2qua s ASP 75 N -3.66 6.65 0.34 6.66 -1.08 -1.26 -4.56 116.67 119.76 2qua s ASP 75 Ca 0.63 -1.94 0.27 0.00 -0.52 0.00 0.00 52.55 50.99 2qua s ASP 75 Cb -0.16 -2.52 0.96 0.00 -1.46 0.00 0.00 42.92 39.74 2qua s ASP 75 CO 0.56 -1.27 1.78 0.77 0.52 0.00 0.00 175.17 177.53 2qua h SER 76 N 8.88 0.00 -0.40 -0.34 4.64 -1.93 -2.40 113.55 122.00 2qua h SER 76 Ca 0.25 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.42 2qua h SER 76 Cb 0.97 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 2qua h SER 76 CO 1.35 0.00 -0.36 -0.33 -0.87 0.00 0.00 176.83 176.62 2qua h GLU 77 N 0.00 0.95 -0.64 4.77 4.39 -1.88 -1.25 114.58 120.92 2qua h GLU 77 Ca 0.00 -0.48 -0.08 0.00 0.34 0.00 0.00 59.36 59.14 2qua h GLU 77 Cb 0.56 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2qua h GLU 77 CO 0.00 1.14 0.10 0.37 -1.16 0.00 0.00 179.01 179.46 2qua h GLN 78 N 0.77 1.06 -0.77 2.33 -0.00 -1.84 -1.62 115.11 115.04 2qua h GLN 78 Ca 0.07 -0.29 -0.03 0.00 -0.00 0.00 0.00 58.65 58.41 2qua h GLN 78 Cb 0.95 -0.12 -0.04 0.00 0.00 0.00 0.00 27.48 28.27 2qua h GLN 78 CO 0.09 0.98 0.38 0.00 0.00 0.00 0.00 178.83 180.28 2qua h ALA 79 N 1.03 1.22 -0.61 3.38 0.00 -1.36 -0.28 119.26 122.64 2qua h ALA 79 Ca 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2qua h ALA 79 Cb 0.44 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2qua h ALA 79 CO 0.01 0.60 0.30 0.00 0.00 0.00 0.00 179.25 180.17 2qua h ALA 80 N 1.32 0.78 -0.42 0.00 0.00 -0.60 -1.18 119.26 119.16 2qua h ALA 80 Ca 0.27 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2qua h ALA 80 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2qua h ALA 80 CO -0.04 0.33 -0.26 0.37 0.00 0.00 0.00 179.25 179.66 2qua h GLN 81 N 0.83 0.91 -0.35 0.00 4.15 -1.10 -2.41 115.11 117.15 2qua h GLN 81 Ca 0.21 -0.42 0.05 0.00 0.77 0.00 0.00 58.65 59.25 2qua h GLN 81 Cb 0.10 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 2qua h GLN 81 CO -0.03 1.08 0.09 1.49 -1.93 0.00 0.00 178.83 179.53 2qua h GLU 82 N 0.74 0.22 -0.35 1.69 4.81 -0.82 -1.35 114.58 119.51 2qua h GLU 82 Ca 0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2qua h GLU 82 Cb 0.83 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 2qua h GLU 82 CO 0.07 0.14 0.23 0.00 -0.73 0.00 0.00 179.01 178.72 2qua h ALA 83 N 1.24 0.45 -0.07 2.92 0.00 -1.04 0.15 119.26 122.92 2qua h ALA 83 Ca 0.16 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2qua h ALA 83 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2qua h ALA 83 CO -0.19 -0.08 -0.48 -0.24 0.00 0.00 0.00 179.25 178.25 2qua h VAL 84 N 0.47 1.34 -0.07 0.00 3.04 -1.27 -1.96 116.25 117.80 2qua h VAL 84 Ca 0.13 -1.69 -0.17 0.00 -1.01 0.00 0.00 66.70 63.97 2qua h VAL 84 Cb -0.04 1.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.06 2qua h VAL 84 CO -0.03 0.50 -0.68 0.78 -1.01 0.00 0.00 177.57 177.13 2qua h ASN 85 N 0.14 0.36 0.41 3.17 -0.26 -1.07 -2.05 115.58 116.28 2qua h ASN 85 Ca 0.01 -0.23 -0.07 0.00 -0.56 0.00 0.00 56.30 55.45 2qua h ASN 85 Cb 0.91 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 38.05 2qua h ASN 85 CO 0.07 0.93 -0.34 0.78 -1.06 0.00 0.00 177.43 177.81 2qua h ASN 86 N 0.22 0.00 0.42 5.81 2.35 -0.62 -2.07 115.58 121.69 2qua h ASN 86 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2qua h ASN 86 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2qua h ASN 86 CO 0.11 0.34 0.00 0.00 -1.65 0.00 0.00 177.43 176.23 2qua n ALA 87 N -2.43 2.28 0.00 -0.83 0.00 -0.77 -4.89 120.51 113.87 2qua n ALA 87 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2qua n ALA 87 Cb 0.39 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2qua n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qua n GLY 88 N 0.81 1.01 3.53 0.00 0.00 -0.78 -4.94 105.19 104.82 2qua n GLY 88 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2qua n GLY 88 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qua s TRP 89 N -2.00 2.70 0.00 1.61 0.52 -0.80 -4.18 118.94 116.79 2qua s TRP 89 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 56.10 55.96 2qua s TRP 89 Cb 0.00 -1.50 -0.00 0.00 -1.15 0.00 0.00 33.47 30.82 2qua s TRP 89 CO 0.00 0.34 -0.01 -1.54 0.02 0.00 0.00 176.95 175.76 2qua s SER 90 N -1.64 0.08 0.36 2.95 1.04 -0.52 -3.25 113.70 112.72 2qua s SER 90 Ca 0.17 -0.11 -0.28 0.00 0.48 0.00 0.00 55.95 56.21 2qua s SER 90 Cb -0.11 0.02 -0.11 0.00 0.10 0.00 0.00 66.02 65.92 2qua s SER 90 CO 0.08 -0.06 1.52 0.52 0.98 0.00 0.00 173.24 176.28 2qua n VAL 91 N 2.77 1.76 -3.75 5.02 0.31 -1.26 -0.74 118.33 122.44 2qua n VAL 91 Ca -0.14 -0.44 -0.36 0.00 -0.01 0.00 0.00 64.34 63.39 2qua n VAL 91 Cb 0.59 -1.98 -0.07 0.00 -0.91 0.00 0.00 33.84 31.46 2qua n VAL 91 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2qua s ILE 92 N -0.85 5.42 0.57 2.52 1.01 0.53 -4.83 121.20 125.57 2qua s ILE 92 Ca 0.56 0.24 -0.11 0.00 0.00 0.00 0.00 60.65 61.34 2qua s ILE 92 Cb -0.48 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 2qua s ILE 92 CO 0.60 0.49 0.97 -0.94 0.00 0.00 0.00 174.94 176.06 2qua s SER 93 N -0.07 6.32 0.32 3.58 1.04 -1.26 -4.77 113.70 118.86 2qua s SER 93 Ca 0.11 1.35 0.02 0.00 0.48 0.00 0.00 55.95 57.92 2qua s SER 93 Cb -0.12 -2.43 0.59 0.00 0.10 0.00 0.00 66.02 64.16 2qua s SER 93 CO 0.01 -0.75 1.94 0.00 0.98 0.00 0.00 173.24 175.41 2qua h ALA 94 N 0.06 1.56 -0.46 5.32 0.00 -1.92 -1.70 119.26 122.13 2qua h ALA 94 Ca -0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2qua h ALA 94 Cb 1.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2qua h ALA 94 CO 0.62 0.32 0.26 1.15 0.00 0.00 0.00 179.25 181.61 2qua h THR 95 N 0.94 1.16 -0.77 0.00 2.02 -1.93 0.86 112.91 115.18 2qua h THR 95 Ca 0.35 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 67.17 2qua h THR 95 Cb 0.16 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 2qua h THR 95 CO -0.12 0.16 0.51 1.56 0.37 0.00 0.00 175.52 178.00 2qua h GLN 96 N 0.61 0.96 0.00 6.66 4.20 -1.74 -2.01 115.11 123.79 2qua h GLN 96 Ca 0.16 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2qua h GLN 96 Cb 0.03 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.59 2qua h GLN 96 CO -0.03 0.64 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.31 2qua h LEU 97 N 0.99 0.00 0.61 1.46 3.38 -0.80 -3.48 115.31 117.47 2qua h LEU 97 Ca 0.30 -0.04 -0.35 0.00 0.09 0.00 0.00 57.88 57.88 2qua h LEU 97 Cb -0.03 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.78 2qua h LEU 97 CO -0.08 0.02 -0.53 0.61 0.09 0.00 0.00 178.44 178.56 2qua n GLY 98 N 1.20 -0.35 3.70 0.83 0.00 0.28 -4.90 105.19 105.96 2qua n GLY 98 Ca 0.03 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2qua n GLY 98 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qua s TYR 99 N -3.11 3.56 -2.54 1.61 5.04 0.01 -4.96 117.35 116.96 2qua s TYR 99 Ca 0.29 1.36 0.26 0.00 -2.44 0.00 0.00 57.07 56.54 2qua s TYR 99 Cb -0.13 -2.93 0.81 0.00 0.35 0.00 0.00 41.96 40.06 2qua s TYR 99 CO 0.35 -0.01 1.61 0.00 -1.34 0.00 0.00 175.55 176.16 2qua n ALA 100 N 4.14 2.54 -1.20 3.97 0.00 -1.26 -4.77 120.51 123.93 2qua n ALA 100 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2qua n ALA 100 Cb 0.51 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2qua n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qua n GLY 101 N 1.21 -0.25 3.73 0.00 0.00 -1.26 -5.06 105.19 103.57 2qua n GLY 101 Ca 0.18 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 2qua n GLY 101 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qua s LYS 102 N 0.47 3.93 0.20 1.61 2.20 -1.26 -5.07 119.74 121.82 2qua s LYS 102 Ca 0.00 -0.25 0.05 0.00 -0.36 0.00 0.00 55.97 55.41 2qua s LYS 102 Cb 0.00 -3.29 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 2qua s LYS 102 CO 0.00 0.40 -0.07 0.95 -0.36 0.00 0.00 175.35 176.28 2qua s THR 103 N 0.03 1.25 0.35 3.43 -4.23 -1.26 -2.04 115.64 113.17 2qua s THR 103 Ca 0.08 -2.08 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 2qua s THR 103 Cb -0.12 -2.11 0.05 0.00 1.34 0.00 0.00 72.50 71.66 2qua s THR 103 CO -0.00 -0.54 0.38 -0.90 -0.54 0.00 0.00 174.62 173.03 2qua n ASP 104 N -0.34 1.66 0.21 3.99 5.68 -0.72 -4.94 116.55 122.11 2qua n ASP 104 Ca -0.08 -2.05 0.15 0.00 -0.50 0.00 0.00 54.79 52.32 2qua n ASP 104 Cb 0.62 -0.15 0.69 0.00 -1.14 0.00 0.00 41.12 41.13 2qua n ASP 104 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qua h ALA 105 N 0.47 1.00 -0.36 2.12 0.00 -2.03 -0.91 119.26 119.55 2qua h ALA 105 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2qua h ALA 105 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2qua h ALA 105 CO 0.28 0.00 0.00 0.54 0.00 0.00 0.00 179.25 180.07 2qua n ARG 106 N -2.63 2.12 -0.95 0.00 1.74 -1.26 -4.92 116.66 110.76 2qua n ARG 106 Ca 0.00 -1.71 0.00 0.00 -0.77 0.00 0.00 57.85 55.37 2qua n ARG 106 Cb 0.19 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2qua n ARG 106 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qua n GLY 107 N 1.30 0.56 3.75 -0.13 0.00 -0.35 -5.03 105.19 105.30 2qua n GLY 107 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2qua n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qua s THR 108 N -2.14 3.68 -0.03 2.61 2.01 -1.26 -4.78 115.64 115.73 2qua s THR 108 Ca 0.00 1.68 -0.11 0.00 0.31 0.00 0.00 61.69 63.56 2qua s THR 108 Cb 0.00 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 2qua s THR 108 CO 0.00 0.39 0.31 -0.31 -0.69 0.00 0.00 174.62 174.33 2qua s TYR 109 N -1.11 3.67 0.07 4.92 2.02 -0.18 -1.75 117.35 124.99 2qua s TYR 109 Ca 0.44 0.80 0.05 0.00 -0.37 0.00 0.00 57.07 58.00 2qua s TYR 109 Cb -0.30 -2.15 -0.04 0.00 -0.40 0.00 0.00 41.96 39.07 2qua s TYR 109 CO 0.38 0.67 -0.07 0.71 -1.57 0.00 0.00 175.55 175.66 2qua s TYR 110 N -1.10 2.82 0.36 2.71 2.02 -0.86 -0.54 117.35 122.76 2qua s TYR 110 Ca 0.22 -0.10 -0.25 0.00 -0.37 0.00 0.00 57.07 56.57 2qua s TYR 110 Cb -0.15 -1.51 -0.13 0.00 -0.40 0.00 0.00 41.96 39.78 2qua s TYR 110 CO 0.11 0.41 0.78 0.41 -1.57 0.00 0.00 175.55 175.70 2qua n GLY 111 N 0.96 -0.87 0.06 0.71 0.00 -0.36 -4.67 105.19 101.02 2qua n GLY 111 Ca -0.14 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.14 2qua n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qua n GLU 112 N 0.57 0.64 -4.48 1.61 1.02 0.35 -4.37 120.64 115.99 2qua n GLU 112 Ca 0.11 -0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 56.91 2qua n GLU 112 Cb 0.36 -1.65 -0.11 0.00 -0.02 0.00 0.00 31.44 30.02 2qua n GLU 112 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2qua s THR 113 N -3.26 3.49 0.18 2.62 2.01 -1.21 -5.00 115.64 114.47 2qua s THR 113 Ca -0.05 -0.87 -0.33 0.00 0.31 0.00 0.00 61.69 60.74 2qua s THR 113 Cb 0.11 -2.52 -0.14 0.00 0.01 0.00 0.00 72.50 69.96 2qua s THR 113 CO 0.85 0.37 1.51 0.00 -0.69 0.00 0.00 174.62 176.66 2qua n ALA 114 N 1.50 1.10 0.00 7.40 0.00 -1.26 -0.91 120.51 128.34 2qua n ALA 114 Ca -0.15 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2qua n ALA 114 Cb 0.52 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2qua n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qua n GLY 115 N 2.99 0.17 0.00 0.00 0.00 -1.26 -4.84 105.19 102.25 2qua n GLY 115 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2qua n GLY 115 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qua n TYR 116 N -1.84 0.00 0.77 1.61 4.01 -0.08 -4.84 117.16 116.78 2qua n TYR 116 Ca 0.00 -0.17 0.09 0.00 -0.16 0.00 0.00 57.90 57.67 2qua n TYR 116 Cb 0.00 -0.02 0.44 0.00 -0.31 0.00 0.00 39.34 39.46 2qua n TYR 116 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2qua n THR 117 N -0.17 0.57 0.10 -0.72 -2.24 -1.19 -1.39 114.28 109.26 2qua n THR 117 Ca 0.00 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 2qua n THR 117 Cb 0.41 -0.82 0.26 0.00 -2.10 0.00 0.00 70.33 68.08 2qua n THR 117 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qua n THR 118 N -1.42 0.68 -2.44 4.28 -2.24 -1.26 -4.19 114.28 107.69 2qua n THR 118 Ca 0.06 -0.82 -0.38 0.00 -2.27 0.00 0.00 64.05 60.65 2qua n THR 118 Cb 0.20 0.75 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 2qua n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qua s ALA 119 N -1.32 3.15 0.00 6.98 0.00 -0.48 -4.78 121.76 125.31 2qua s ALA 119 Ca 0.42 0.82 0.04 0.00 0.00 0.00 0.00 51.96 53.25 2qua s ALA 119 Cb 0.23 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 2qua s ALA 119 CO 0.32 -0.32 -0.14 -0.65 0.00 0.00 0.00 175.76 174.97 2qua s GLN 120 N -2.26 1.05 0.06 0.00 1.11 -1.26 -1.23 119.66 117.12 2qua s GLN 120 Ca 0.56 -0.56 0.02 0.00 0.01 0.00 0.00 55.36 55.39 2qua s GLN 120 Cb -0.27 -1.03 -0.03 0.00 -1.01 0.00 0.00 33.01 30.68 2qua s GLN 120 CO 0.33 0.27 -0.08 0.00 0.01 0.00 0.00 175.29 175.83 2qua s ALA 121 N -0.46 0.71 -0.04 6.09 0.00 0.30 -0.84 121.76 127.52 2qua s ALA 121 Ca 0.04 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.13 2qua s ALA 121 Cb -0.06 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2qua s ALA 121 CO -0.00 -0.08 -0.23 -1.21 0.00 0.00 0.00 175.76 174.24 2qua s GLU 122 N -2.23 2.33 -0.18 0.00 0.41 0.13 -1.01 118.70 118.16 2qua s GLU 122 Ca -0.04 -0.88 0.01 0.00 -0.41 0.00 0.00 54.97 53.65 2qua s GLU 122 Cb -0.06 -2.14 0.03 0.00 -1.78 0.00 0.00 34.13 30.18 2qua s GLU 122 CO -0.01 0.51 -0.16 0.08 -0.49 0.00 0.00 175.26 175.19 2qua s VAL 123 N -0.49 1.86 0.27 2.63 1.01 -1.26 -1.05 120.40 123.37 2qua s VAL 123 Ca 0.06 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.18 2qua s VAL 123 Cb -0.11 -1.76 -0.06 0.00 0.00 0.00 0.00 36.38 34.46 2qua s VAL 123 CO 0.01 0.42 -0.03 -0.76 0.00 0.00 0.00 175.10 174.74 2qua s LEU 124 N 1.35 2.35 0.04 3.92 1.02 -0.32 -0.34 118.68 126.70 2qua s LEU 124 Ca 0.03 -1.22 0.03 0.00 0.02 0.00 0.00 54.13 52.98 2qua s LEU 124 Cb -0.14 -0.47 -0.02 0.00 0.02 0.00 0.00 46.19 45.57 2qua s LEU 124 CO -0.11 -0.44 -0.09 -0.83 0.02 0.00 0.00 176.35 174.91 2qua s GLY 125 N -3.40 0.55 -0.18 -3.19 0.00 0.08 -1.05 107.32 100.14 2qua s GLY 125 Ca 0.30 -0.79 -0.04 0.00 0.00 0.00 0.00 44.72 44.19 2qua s GLY 125 CO 0.11 -0.83 -0.03 1.25 0.00 0.00 0.00 173.10 173.59 2qua s LYS 126 N -1.58 3.57 0.12 2.90 2.20 -0.89 -1.44 119.74 124.63 2qua s LYS 126 Ca -0.09 -0.55 0.09 0.00 -0.36 0.00 0.00 55.97 55.06 2qua s LYS 126 Cb -0.10 -2.96 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 2qua s LYS 126 CO 0.01 0.09 -0.17 0.71 -0.36 0.00 0.00 175.35 175.62 2qua s TYR 127 N 0.77 2.56 0.89 4.03 2.02 -1.26 0.09 117.35 126.45 2qua s TYR 127 Ca -0.01 -0.25 -0.12 0.00 -0.37 0.00 0.00 57.07 56.31 2qua s TYR 127 Cb -0.14 -1.35 0.12 0.00 -0.40 0.00 0.00 41.96 40.19 2qua s TYR 127 CO 0.02 0.40 1.14 0.16 -1.57 0.00 0.00 175.55 175.70 2qua s ASP 128 N -2.19 3.74 0.00 2.29 1.47 -0.23 -4.84 116.67 116.91 2qua s ASP 128 Ca 0.19 0.97 0.01 0.00 1.18 0.00 0.00 52.55 54.90 2qua s ASP 128 Cb -0.10 -1.55 0.07 0.00 -0.34 0.00 0.00 42.92 41.00 2qua s ASP 128 CO 0.11 -2.40 0.62 -1.54 0.68 0.00 0.00 175.17 172.63 2qua n SER 129 N -3.67 0.00 -0.31 2.11 3.41 -1.26 -0.32 113.62 113.58 2qua n SER 129 Ca 0.07 0.02 0.07 0.00 -0.26 0.00 0.00 58.87 58.76 2qua n SER 129 Cb 0.59 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2qua n SER 129 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2qua n GLU 130 N -1.05 1.83 -0.34 4.33 2.13 -1.26 -4.99 120.64 121.28 2qua n GLU 130 Ca 0.01 -0.74 0.00 0.00 0.66 0.00 0.00 57.16 57.09 2qua n GLU 130 Cb 0.01 -1.19 0.00 0.00 0.27 0.00 0.00 31.44 30.53 2qua n GLU 130 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qua n GLY 131 N 1.02 0.81 3.80 8.31 0.00 0.57 -5.06 105.19 114.64 2qua n GLY 131 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2qua n GLY 131 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qua s ASN 132 N -2.97 6.97 0.07 1.61 0.01 -1.26 -4.76 114.94 114.61 2qua s ASN 132 Ca 0.00 1.82 -0.30 0.00 -0.71 0.00 0.00 52.86 53.66 2qua s ASN 132 Cb 0.00 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.05 2qua s ASN 132 CO 0.00 -0.34 1.08 -0.22 -1.51 0.00 0.00 177.10 176.11 2qua s LEU 133 N -2.79 4.41 -0.05 0.60 2.96 -1.26 -1.07 118.68 121.47 2qua s LEU 133 Ca 0.58 1.88 0.02 0.00 -0.22 0.00 0.00 54.13 56.40 2qua s LEU 133 Cb -0.15 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 2qua s LEU 133 CO 0.19 -0.30 -0.02 0.41 -1.32 0.00 0.00 176.35 175.31 2qua n THR 134 N 3.49 0.33 -3.76 3.68 -1.04 0.11 -4.92 114.28 112.18 2qua n THR 134 Ca 0.06 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.05 61.81 2qua n THR 134 Cb 0.48 -0.80 -0.04 0.00 -1.82 0.00 0.00 70.33 68.15 2qua n THR 134 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qua s ALA 135 N -2.12 -0.90 0.02 2.41 0.00 -1.17 -4.96 121.76 115.04 2qua s ALA 135 Ca -0.05 -0.26 0.07 0.00 0.00 0.00 0.00 51.96 51.72 2qua s ALA 135 Cb 0.02 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 2qua s ALA 135 CO 0.17 -0.81 -0.21 0.42 0.00 0.00 0.00 175.76 175.33 2qua s ILE 136 N -3.88 1.69 -0.07 0.00 1.01 0.06 -2.09 121.20 117.92 2qua s ILE 136 Ca 0.10 -1.10 0.06 0.00 0.00 0.00 0.00 60.65 59.70 2qua s ILE 136 Cb -0.01 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 2qua s ILE 136 CO -0.02 0.31 -0.25 -0.83 0.00 0.00 0.00 174.94 174.15 2qua s GLY 137 N -0.94 1.30 -0.16 6.18 0.00 -0.22 -0.96 107.32 112.54 2qua s GLY 137 Ca 0.08 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.78 2qua s GLY 137 CO 0.01 -0.56 -0.17 -0.42 0.00 0.00 0.00 173.10 171.96 2qua s ILE 138 N -0.02 1.78 -0.11 0.90 1.01 0.25 -1.17 121.20 123.84 2qua s ILE 138 Ca -0.08 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.83 2qua s ILE 138 Cb -0.15 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.69 2qua s ILE 138 CO 0.05 0.49 -0.22 -0.55 0.00 0.00 0.00 174.94 174.72 2qua s SER 139 N 1.33 2.93 -0.11 3.58 0.15 -0.22 -0.21 113.70 121.15 2qua s SER 139 Ca 0.03 -0.54 -0.04 0.00 0.70 0.00 0.00 55.95 56.11 2qua s SER 139 Cb -0.13 -1.34 -0.04 0.00 -1.71 0.00 0.00 66.02 62.80 2qua s SER 139 CO -0.10 0.12 0.04 -0.36 1.20 0.00 0.00 173.24 174.14 2qua s PHE 140 N 0.51 3.27 0.30 3.44 0.08 -0.38 0.23 117.98 125.43 2qua s PHE 140 Ca -0.15 0.23 -0.28 0.00 0.12 0.00 0.00 56.93 56.85 2qua s PHE 140 Cb -0.17 -1.88 -0.09 0.00 -0.57 0.00 0.00 43.02 40.31 2qua s PHE 140 CO 0.06 0.46 0.99 0.50 -0.10 0.00 0.00 175.22 177.12 2qua s ARG 141 N -0.67 4.62 0.00 0.44 3.52 -0.02 -3.85 118.95 123.00 2qua s ARG 141 Ca 0.11 1.50 0.00 0.00 -0.13 0.00 0.00 55.73 57.22 2qua s ARG 141 Cb -0.12 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 2qua s ARG 141 CO 0.02 0.28 0.00 0.41 -0.81 0.00 0.00 175.30 175.20 2qua n GLY 142 N 0.95 -1.51 3.74 8.12 0.00 -1.15 -2.98 105.19 112.35 2qua n GLY 142 Ca 0.01 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2qua n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qua s THR 143 N -0.52 2.45 0.00 2.61 2.01 -1.26 -4.73 115.64 116.20 2qua s THR 143 Ca 0.00 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.36 2qua s THR 143 Cb 0.00 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.28 2qua s THR 143 CO 0.00 0.05 0.00 -1.54 -0.69 0.00 0.00 174.62 172.44 2qua n SER 144 N 2.82 0.00 -1.80 3.53 3.41 -1.26 -5.05 113.62 115.27 2qua n SER 144 Ca 0.10 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.66 2qua n SER 144 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2qua n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qua n GLY 145 N -0.79 2.05 3.50 5.00 0.00 -1.26 -4.76 105.19 108.93 2qua n GLY 145 Ca 0.00 -1.27 -0.45 0.00 0.00 0.00 0.00 46.02 44.30 2qua n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qua n PRO 146 N -0.24 0.77 -0.33 1.61 -0.02 -1.26 -4.67 135.00 130.86 2qua n PRO 146 Ca -0.02 0.27 0.15 0.00 -2.02 0.00 0.00 63.50 61.89 2qua n PRO 146 Cb 0.25 -1.52 0.38 0.00 -0.02 0.00 0.00 33.50 32.59 2qua n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qua h ARG 147 N 1.40 0.64 0.00 -0.52 3.08 -1.97 -1.72 114.38 115.29 2qua h ARG 147 Ca -0.37 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.65 2qua h ARG 147 Cb 1.38 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2qua h ARG 147 CO 0.57 0.42 0.00 0.39 -1.07 0.00 0.00 179.97 180.28 2qua n GLU 148 N -4.72 0.17 -1.26 0.04 4.71 -1.26 -2.57 120.64 115.75 2qua n GLU 148 Ca 0.23 0.42 0.04 0.00 -0.01 0.00 0.00 57.16 57.84 2qua n GLU 148 Cb 0.64 -1.84 0.05 0.00 -1.01 0.00 0.00 31.44 29.29 2qua n GLU 148 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2qua n SER 149 N -2.16 1.06 -0.10 1.62 3.41 -0.71 -4.97 113.62 111.77 2qua n SER 149 Ca 0.02 -2.32 -0.06 0.00 -0.26 0.00 0.00 58.87 56.25 2qua n SER 149 Cb 0.21 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2qua n SER 149 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2qua h LEU 150 N 0.91 -0.63 -0.07 1.04 5.85 -1.12 -0.46 115.31 120.84 2qua h LEU 150 Ca -0.17 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2qua h LEU 150 Cb 1.70 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 43.07 2qua h LEU 150 CO 0.07 -0.22 -0.04 0.40 -0.34 0.00 0.00 178.44 178.31 2qua h ILE 151 N -0.13 1.34 -0.62 4.05 2.04 -1.89 -0.06 117.51 122.25 2qua h ILE 151 Ca 0.18 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 2qua h ILE 151 Cb 0.41 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 2qua h ILE 151 CO -0.44 0.30 0.25 1.23 0.00 0.00 0.00 178.15 179.49 2qua h GLY 152 N -0.25 1.00 0.86 5.37 0.00 -1.95 -1.60 103.07 106.51 2qua h GLY 152 Ca 0.01 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 2qua h GLY 152 CO 0.01 0.51 -0.04 -1.80 0.00 0.00 0.00 176.54 175.22 2qua h ASP 153 N 0.87 0.50 -0.99 0.19 1.82 -1.05 -2.50 116.42 115.26 2qua h ASP 153 Ca 0.21 -0.35 0.05 0.00 -0.39 0.00 0.00 57.03 56.55 2qua h ASP 153 Cb 0.20 -0.14 -0.06 0.00 0.68 0.00 0.00 39.33 40.01 2qua h ASP 153 CO -0.02 0.73 0.65 0.74 -1.61 0.00 0.00 179.24 179.73 2qua h THR 154 N 0.27 1.13 -0.49 2.25 2.02 -0.80 -1.52 112.91 115.77 2qua h THR 154 Ca 0.07 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 2qua h THR 154 Cb 0.50 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 2qua h THR 154 CO 0.02 0.22 0.21 0.40 0.37 0.00 0.00 175.52 176.74 2qua h ILE 155 N 1.21 1.20 -0.44 3.11 2.04 -1.06 0.48 117.51 124.06 2qua h ILE 155 Ca 0.41 -0.61 0.08 0.00 1.00 0.00 0.00 64.86 65.74 2qua h ILE 155 Cb 0.09 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 2qua h ILE 155 CO -0.15 0.23 0.04 1.23 0.00 0.00 0.00 178.15 179.50 2qua h GLY 156 N 0.65 0.48 0.98 5.37 0.00 -0.93 -1.93 103.07 107.69 2qua h GLY 156 Ca 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2qua h GLY 156 CO -0.02 -0.09 0.26 -0.55 0.00 0.00 0.00 176.54 176.15 2qua h ASP 157 N 0.15 0.57 -0.80 0.19 3.32 -0.59 -2.43 116.42 116.84 2qua h ASP 157 Ca 0.22 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.24 2qua h ASP 157 Cb 0.31 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 2qua h ASP 157 CO -0.33 0.49 0.53 0.58 -1.72 0.00 0.00 179.24 178.78 2qua h VAL 158 N 0.61 1.08 -0.46 -1.35 2.07 -0.68 0.13 116.25 117.64 2qua h VAL 158 Ca 0.16 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2qua h VAL 158 Cb 0.03 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 2qua h VAL 158 CO -0.03 0.17 0.20 0.40 0.02 0.00 0.00 177.57 178.33 2qua h ILE 159 N 0.92 1.19 -0.96 4.57 2.04 -0.89 -0.38 117.51 124.00 2qua h ILE 159 Ca 0.34 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2qua h ILE 159 Cb 0.16 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2qua h ILE 159 CO -0.11 0.22 0.61 0.78 0.00 0.00 0.00 178.15 179.64 2qua h ASN 160 N 0.59 1.14 -0.62 1.72 -0.26 -0.80 -1.62 115.58 115.73 2qua h ASN 160 Ca 0.15 -0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 2qua h ASN 160 Cb 0.15 -0.29 -0.03 0.00 -1.06 0.00 0.00 38.32 37.10 2qua h ASN 160 CO -0.02 0.85 0.37 0.44 -1.06 0.00 0.00 177.43 178.01 2qua h ASP 161 N 1.32 0.75 -0.41 5.81 3.32 -0.43 -2.35 116.42 124.43 2qua h ASP 161 Ca 0.35 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 2qua h ASP 161 Cb -0.10 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 2qua h ASP 161 CO -0.07 0.60 -0.17 -0.07 -1.72 0.00 0.00 179.24 177.81 2qua h LEU 162 N 0.84 0.90 -1.20 1.55 3.38 -0.61 -2.90 115.31 117.26 2qua h LEU 162 Ca 0.22 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2qua h LEU 162 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2qua h LEU 162 CO -0.04 1.05 -0.33 -0.07 0.09 0.00 0.00 178.44 179.14 2qua h LEU 163 N 0.78 0.00 -1.07 1.67 3.38 -1.11 0.45 115.31 119.41 2qua h LEU 163 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2qua h LEU 163 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2qua h LEU 163 CO 0.05 0.33 0.25 0.00 0.09 0.00 0.00 178.44 179.17 2qua h ALA 164 N 1.67 1.27 0.17 1.53 0.00 -1.22 1.76 119.26 124.43 2qua h ALA 164 Ca -0.00 -0.16 -0.36 0.00 0.00 0.00 0.00 54.91 54.39 2qua h ALA 164 Cb 0.73 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2qua h ALA 164 CO 0.04 0.54 -1.83 0.78 0.00 0.00 0.00 179.25 178.79 2qua h GLY 165 N 1.00 0.40 -0.76 0.00 0.00 -1.37 -3.41 103.07 98.93 2qua h GLY 165 Ca 0.21 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.51 2qua h GLY 165 CO -0.02 0.90 -0.04 0.69 0.00 0.00 0.00 176.54 178.08 2qua n PHE 166 N -3.55 0.00 -1.33 5.60 3.72 0.15 -4.38 117.46 117.68 2qua n PHE 166 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 2qua n PHE 166 Cb 1.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 2qua n PHE 166 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qua n GLY 167 N 0.63 -0.35 3.67 1.37 0.00 0.60 -4.92 105.19 106.19 2qua n GLY 167 Ca 0.06 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 2qua n GLY 167 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qua n PRO 168 N -0.85 1.35 -0.35 1.61 -0.02 -1.26 -4.84 135.00 130.65 2qua n PRO 168 Ca 0.00 0.50 0.24 0.00 -2.02 0.00 0.00 63.50 62.22 2qua n PRO 168 Cb 0.00 -2.31 0.49 0.00 -0.02 0.00 0.00 33.50 31.66 2qua n PRO 168 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2qua h LYS 169 N 1.15 0.37 -0.05 -0.52 1.57 -1.95 0.37 116.57 117.52 2qua h LYS 169 Ca -0.49 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2qua h LYS 169 Cb 1.33 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2qua h LYS 169 CO 0.55 0.25 0.00 0.41 -0.57 0.00 0.00 179.45 180.08 2qua n GLY 170 N -1.40 -0.18 0.49 3.86 0.00 -1.26 -4.50 105.19 102.20 2qua n GLY 170 Ca 0.29 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 2qua n GLY 170 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qua h TYR 171 N 1.75 -1.36 -0.60 1.61 3.20 -0.56 -0.51 116.97 120.50 2qua h TYR 171 Ca 0.00 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.96 2qua h TYR 171 Cb 0.38 0.54 -0.06 0.00 1.54 0.00 0.00 36.73 39.12 2qua h TYR 171 CO 0.02 -0.65 0.25 0.00 -1.64 0.00 0.00 178.16 176.15 2qua h ALA 172 N -0.76 0.77 -0.69 1.82 0.00 -1.79 -1.03 119.26 117.58 2qua h ALA 172 Ca -0.05 0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2qua h ALA 172 Cb 0.84 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2qua h ALA 172 CO -0.09 -0.14 0.46 -0.44 0.00 0.00 0.00 179.25 179.04 2qua h ASP 173 N 0.46 0.64 1.24 0.00 3.32 -1.76 -2.59 116.42 117.73 2qua h ASP 173 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 2qua h ASP 173 Cb 0.31 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2qua h ASP 173 CO -0.26 0.42 -0.30 1.23 -1.72 0.00 0.00 179.24 178.61 2qua h GLY 174 N 0.74 0.00 -0.29 2.75 0.00 0.17 -3.40 103.07 103.04 2qua h GLY 174 Ca 0.29 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.73 2qua h GLY 174 CO -0.09 0.00 -0.24 -1.82 0.00 0.00 0.00 176.54 174.39 2qua h TYR 175 N 0.00 -0.61 -0.11 5.60 3.20 -0.94 0.06 116.97 124.17 2qua h TYR 175 Ca 0.00 0.06 -0.20 0.00 3.14 0.00 0.00 58.73 61.73 2qua h TYR 175 Cb 0.77 0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.40 2qua h TYR 175 CO 0.00 -0.33 -0.73 1.15 -1.64 0.00 0.00 178.16 176.61 2qua h THR 176 N -0.10 1.34 -0.48 1.81 2.02 -1.79 -0.64 112.91 115.06 2qua h THR 176 Ca 0.26 -2.05 0.03 0.00 0.77 0.00 0.00 66.41 65.42 2qua h THR 176 Cb 0.51 2.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.92 2qua h THR 176 CO -0.64 0.63 0.26 0.25 0.37 0.00 0.00 175.52 176.39 2qua h LEU 177 N 0.38 0.39 -0.34 2.58 5.85 -1.57 0.45 115.31 123.05 2qua h LEU 177 Ca -0.04 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.51 2qua h LEU 177 Cb 1.33 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 2qua h LEU 177 CO 0.14 0.28 -0.76 0.11 -0.34 0.00 0.00 178.44 177.86 2qua h LYS 178 N 0.51 0.45 0.06 1.25 1.57 -0.86 -1.29 116.57 118.26 2qua h LYS 178 Ca 0.20 -0.38 -0.23 0.00 -1.87 0.00 0.00 60.65 58.37 2qua h LYS 178 Cb 0.08 0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.49 2qua h LYS 178 CO -0.12 1.02 -0.94 0.00 -0.57 0.00 0.00 179.45 178.84 2qua h ALA 179 N 0.86 0.04 0.00 3.86 0.00 -1.02 -3.21 119.26 119.79 2qua h ALA 179 Ca -0.04 -0.68 -0.14 0.00 0.00 0.00 0.00 54.91 54.05 2qua h ALA 179 Cb 1.35 0.07 -0.31 0.00 0.00 0.00 0.00 17.79 18.90 2qua h ALA 179 CO 0.13 0.54 -0.93 1.19 0.00 0.00 0.00 179.25 180.18 2qua n PHE 180 N -3.99 0.00 -0.06 0.00 3.72 0.14 -0.50 117.46 116.77 2qua n PHE 180 Ca -0.12 -0.59 -0.07 0.00 -0.05 0.00 0.00 57.45 56.62 2qua n PHE 180 Cb 0.84 -0.15 -0.01 0.00 -0.94 0.00 0.00 39.48 39.22 2qua n PHE 180 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2qua h GLY 181 N 0.92 0.04 0.83 1.37 0.00 -1.23 -0.65 103.07 104.35 2qua h GLY 181 Ca -0.18 0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 2qua h GLY 181 CO 0.08 -0.17 -0.07 3.43 0.00 0.00 0.00 176.54 179.81 2qua h ASN 182 N -0.13 0.45 -0.23 0.19 2.35 -1.90 -2.90 115.58 113.41 2qua h ASN 182 Ca 0.15 -0.38 0.06 0.00 -0.55 0.00 0.00 56.30 55.57 2qua h ASN 182 Cb 0.36 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 2qua h ASN 182 CO -0.36 0.73 -0.16 0.25 -1.65 0.00 0.00 177.43 176.25 2qua h LEU 183 N 0.17 -0.51 -1.64 1.61 5.85 -1.88 -0.95 115.31 117.97 2qua h LEU 183 Ca 0.05 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2qua h LEU 183 Cb 0.54 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2qua h LEU 183 CO 0.03 -0.20 0.06 -0.07 -0.34 0.00 0.00 178.44 177.92 2qua h LEU 184 N -0.15 0.26 -0.26 2.25 3.38 -1.11 0.19 115.31 119.88 2qua h LEU 184 Ca 0.13 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2qua h LEU 184 Cb 0.34 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2qua h LEU 184 CO -0.32 0.26 -0.04 1.23 0.09 0.00 0.00 178.44 179.67 2qua h GLY 185 N 0.46 0.52 1.07 0.83 0.00 -1.09 -1.06 103.07 103.81 2qua h GLY 185 Ca 0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2qua h GLY 185 CO -0.00 0.38 0.37 -0.55 0.00 0.00 0.00 176.54 176.74 2qua h ASP 186 N 0.24 1.08 -0.56 0.19 3.32 -0.39 -1.78 116.42 118.52 2qua h ASP 186 Ca 0.07 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 2qua h ASP 186 Cb 0.49 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2qua h ASP 186 CO 0.02 0.93 0.00 0.58 -1.72 0.00 0.00 179.24 179.05 2qua h VAL 187 N 1.17 1.26 -0.56 -1.35 2.07 -0.54 -0.14 116.25 118.17 2qua h VAL 187 Ca 0.28 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 2qua h VAL 187 Cb 0.14 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2qua h VAL 187 CO -0.03 0.41 0.34 0.00 0.02 0.00 0.00 177.57 178.31 2qua h ALA 188 N 1.05 0.72 -0.56 1.67 0.00 -0.87 0.20 119.26 121.48 2qua h ALA 188 Ca 0.17 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2qua h ALA 188 Cb 0.54 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2qua h ALA 188 CO 0.03 0.20 0.06 0.87 0.00 0.00 0.00 179.25 180.41 2qua h LYS 189 N 0.76 0.94 -0.21 0.00 1.57 -1.12 -0.89 116.57 117.62 2qua h LYS 189 Ca 0.20 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2qua h LYS 189 Cb -0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 2qua h LYS 189 CO -0.04 0.92 0.02 0.35 -0.57 0.00 0.00 179.45 180.13 2qua h PHE 190 N 0.83 0.03 -0.60 -1.35 3.57 -0.63 -1.04 116.94 117.75 2qua h PHE 190 Ca 0.17 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2qua h PHE 190 Cb 0.45 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 2qua h PHE 190 CO 0.03 -0.00 0.27 0.00 -2.23 0.00 0.00 178.31 176.38 2qua h ALA 191 N 1.17 0.77 -0.39 2.41 0.00 -0.33 -2.38 119.26 120.51 2qua h ALA 191 Ca 0.10 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2qua h ALA 191 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2qua h ALA 191 CO -0.15 0.36 -0.02 0.37 0.00 0.00 0.00 179.25 179.82 2qua h GLN 192 N 0.82 0.70 -0.06 0.00 4.15 -1.01 -0.53 115.11 119.19 2qua h GLN 192 Ca 0.20 -0.23 0.02 0.00 0.77 0.00 0.00 58.65 59.41 2qua h GLN 192 Cb 0.16 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 2qua h GLN 192 CO -0.02 0.81 0.11 0.00 -1.93 0.00 0.00 178.83 177.80 2qua h ALA 193 N 0.87 1.41 -0.58 3.38 0.00 -0.95 -0.15 119.26 123.24 2qua h ALA 193 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qua h ALA 193 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qua h ALA 193 CO 0.02 -0.14 0.00 0.72 0.00 0.00 0.00 179.25 179.85 2qua n HIS 194 N -3.45 1.53 -1.35 0.00 8.25 -0.52 -4.94 115.22 114.75 2qua n HIS 194 Ca -0.01 -0.66 -0.09 0.00 -0.26 0.00 0.00 57.72 56.70 2qua n HIS 194 Cb 0.20 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 30.97 2qua n HIS 194 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qua n GLY 195 N 0.83 0.93 3.90 -1.41 0.00 -0.07 -4.94 105.19 104.43 2qua n GLY 195 Ca 0.25 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 2qua n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qua s LEU 196 N -2.03 4.23 0.52 0.99 1.43 -0.32 -5.01 118.68 118.49 2qua s LEU 196 Ca 0.00 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 2qua s LEU 196 Cb 0.00 -2.84 -0.00 0.00 0.03 0.00 0.00 46.19 43.38 2qua s LEU 196 CO 0.00 0.14 0.06 -0.94 0.23 0.00 0.00 176.35 175.83 2qua s SER 197 N -2.70 4.21 0.52 2.29 1.04 -1.26 -3.80 113.70 114.00 2qua s SER 197 Ca 0.34 -1.61 0.24 0.00 0.48 0.00 0.00 55.95 55.40 2qua s SER 197 Cb -0.12 0.56 1.36 0.00 0.10 0.00 0.00 66.02 67.92 2qua s SER 197 CO 0.27 -0.91 1.99 1.23 0.98 0.00 0.00 173.24 176.80 2qua h GLY 198 N 1.24 0.06 1.96 7.32 0.00 -1.90 -0.12 103.07 111.63 2qua h GLY 198 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2qua h GLY 198 CO 0.71 0.01 0.00 1.18 0.00 0.00 0.00 176.54 178.44 2qua n GLU 199 N -4.39 0.03 -0.28 4.80 1.02 -1.25 -2.28 120.64 118.29 2qua n GLU 199 Ca 0.10 0.14 0.09 0.00 -0.02 0.00 0.00 57.16 57.46 2qua n GLU 199 Cb 0.58 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.75 2qua n GLU 199 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2qua n ASP 200 N -1.48 2.95 -4.37 1.62 8.00 -0.06 -4.81 116.55 118.40 2qua n ASP 200 Ca 0.06 -2.00 -0.33 0.00 0.71 0.00 0.00 54.79 53.22 2qua n ASP 200 Cb 0.23 -0.37 -0.14 0.00 -0.02 0.00 0.00 41.12 40.83 2qua n ASP 200 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qua s VAL 201 N -1.27 3.13 -0.16 2.53 1.01 -0.97 -0.76 120.40 123.92 2qua s VAL 201 Ca 0.37 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 2qua s VAL 201 Cb 0.19 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2qua s VAL 201 CO 0.25 0.51 -0.00 0.54 0.00 0.00 0.00 175.10 176.40 2qua s VAL 202 N 0.50 4.21 -0.17 2.92 0.11 -0.13 -1.56 120.40 126.28 2qua s VAL 202 Ca -0.08 -0.25 -0.01 0.00 -2.93 0.00 0.00 61.98 58.71 2qua s VAL 202 Cb -0.15 -2.85 -0.00 0.00 -1.53 0.00 0.00 36.38 31.84 2qua s VAL 202 CO 0.04 0.50 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.48 2qua s VAL 203 N 0.23 2.77 0.20 2.04 1.01 0.43 -0.59 120.40 126.49 2qua s VAL 203 Ca -0.00 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2qua s VAL 203 Cb -0.13 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 2qua s VAL 203 CO 0.02 0.50 0.21 -0.24 0.00 0.00 0.00 175.10 175.59 2qua n SER 204 N 4.29 -0.56 0.00 3.32 2.88 0.71 -1.69 113.62 122.56 2qua n SER 204 Ca -0.19 -2.22 0.00 0.00 -1.33 0.00 0.00 58.87 55.13 2qua n SER 204 Cb 0.51 1.17 0.00 0.00 -0.75 0.00 0.00 64.21 65.14 2qua n SER 204 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qua n GLY 205 N -0.36 3.52 3.11 0.46 0.00 -1.25 -1.24 105.19 109.42 2qua n GLY 205 Ca 0.03 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 2qua n GLY 205 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qua s HIS 206 N -2.00 1.58 0.00 1.61 2.46 -1.25 -0.90 115.29 116.78 2qua s HIS 206 Ca 0.00 -0.45 0.00 0.00 0.47 0.00 0.00 55.06 55.08 2qua s HIS 206 Cb 0.00 -1.07 0.00 0.00 -0.13 0.00 0.00 32.58 31.38 2qua s HIS 206 CO 0.00 -0.16 0.00 0.45 -2.47 0.00 0.00 174.74 172.56 2qua n SER 207 N 3.18 0.00 0.14 9.88 2.88 0.34 -0.70 113.62 129.35 2qua n SER 207 Ca -0.18 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.41 2qua n SER 207 Cb 0.53 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.50 2qua n SER 207 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2qua h LEU 208 N 0.00 0.20 -1.27 2.46 5.85 -1.85 0.18 115.31 120.89 2qua h LEU 208 Ca 0.00 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2qua h LEU 208 Cb 0.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2qua h LEU 208 CO 0.00 0.21 -0.20 1.23 -0.34 0.00 0.00 178.44 179.33 2qua h GLY 209 N 0.37 0.26 0.90 3.75 0.00 -0.81 -0.80 103.07 106.74 2qua h GLY 209 Ca 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 2qua h GLY 209 CO -0.00 0.17 0.07 -1.33 0.00 0.00 0.00 176.54 175.45 2qua h GLY 210 N 0.88 0.54 0.41 4.60 0.00 -0.71 -1.94 103.07 106.84 2qua h GLY 210 Ca 0.04 -0.34 0.11 0.00 0.00 0.00 0.00 47.33 47.13 2qua h GLY 210 CO 0.03 0.32 0.39 -2.00 0.00 0.00 0.00 176.54 175.28 2qua h LEU 211 N 0.34 0.50 -1.25 3.11 6.46 -0.45 -1.67 115.31 122.35 2qua h LEU 211 Ca 0.10 0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.86 2qua h LEU 211 Cb 0.30 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2qua h LEU 211 CO 0.00 0.27 -0.16 0.00 -0.62 0.00 0.00 178.44 177.92 2qua h ALA 212 N 1.47 1.38 0.12 1.25 0.00 -0.84 -0.55 119.26 122.08 2qua h ALA 212 Ca 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2qua h ALA 212 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2qua h ALA 212 CO -0.29 0.43 -0.06 0.28 0.00 0.00 0.00 179.25 179.61 2qua h VAL 213 N 0.29 0.97 -0.22 0.00 2.07 -0.53 -0.70 116.25 118.12 2qua h VAL 213 Ca 0.05 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2qua h VAL 213 Cb 0.47 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2qua h VAL 213 CO 0.03 0.08 0.03 0.78 0.02 0.00 0.00 177.57 178.52 2qua h ASN 214 N -0.32 0.29 -0.16 0.57 2.35 -1.08 -1.78 115.58 115.45 2qua h ASN 214 Ca -0.02 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 2qua h ASN 214 Cb 0.26 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 2qua h ASN 214 CO 0.03 0.32 -0.07 -1.28 -1.65 0.00 0.00 177.43 174.78 2qua h SER 215 N 0.32 0.33 -0.10 5.81 0.87 -0.83 -0.33 113.55 119.62 2qua h SER 215 Ca 0.08 -0.40 0.01 0.00 -1.23 0.00 0.00 61.79 60.24 2qua h SER 215 Cb 0.16 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2qua h SER 215 CO -0.00 0.66 0.05 -0.03 -0.53 0.00 0.00 176.83 176.98 2qua h MET 216 N 0.01 0.10 -0.70 2.24 1.85 -0.82 -1.34 114.93 116.27 2qua h MET 216 Ca 0.04 -0.01 0.14 0.00 -0.61 0.00 0.00 59.70 59.26 2qua h MET 216 Cb 0.53 -0.02 -0.10 0.00 0.43 0.00 0.00 31.60 32.44 2qua h MET 216 CO 0.02 0.07 0.21 0.00 -0.40 0.00 0.00 176.91 176.81 2qua h ALA 217 N 1.05 0.91 -0.08 0.39 0.00 -1.29 0.63 119.26 120.88 2qua h ALA 217 Ca 0.04 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2qua h ALA 217 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2qua h ALA 217 CO -0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 179.25 178.89 2qua h ALA 218 N 1.54 1.75 -0.00 0.00 0.00 -0.30 -2.72 119.26 119.53 2qua h ALA 218 Ca 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2qua h ALA 218 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2qua h ALA 218 CO -0.43 0.19 -0.58 1.04 0.00 0.00 0.00 179.25 179.46 2qua n GLN 219 N -4.40 0.39 0.26 0.00 1.13 0.02 -4.56 117.38 110.22 2qua n GLN 219 Ca -0.02 -0.28 0.16 0.00 -1.94 0.00 0.00 57.00 54.92 2qua n GLN 219 Cb 0.18 -1.49 0.57 0.00 0.11 0.00 0.00 30.24 29.60 2qua n GLN 219 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2qua h SER 220 N 0.69 0.00 0.45 1.08 4.64 -0.70 -1.68 113.55 118.03 2qua h SER 220 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 2qua h SER 220 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2qua h SER 220 CO 0.00 0.00 -1.01 0.44 -0.87 0.00 0.00 176.83 175.39 2qua h ASP 221 N 0.00 0.47 0.00 4.97 3.32 -1.80 -3.26 116.42 120.11 2qua h ASP 221 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2qua h ASP 221 Cb 0.61 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2qua h ASP 221 CO 0.00 1.23 -1.60 0.00 -1.72 0.00 0.00 179.24 177.15 2qua n ALA 222 N -2.53 3.15 -2.58 3.45 0.00 -1.14 -4.46 120.51 116.40 2qua n ALA 222 Ca -0.07 -0.47 -0.23 0.00 0.00 0.00 0.00 53.44 52.68 2qua n ALA 222 Cb 0.88 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 2qua n ALA 222 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qua s ASN 223 N -3.79 4.72 -1.40 0.00 0.01 -0.64 -4.69 114.94 109.15 2qua s ASN 223 Ca -0.03 -0.69 -0.10 0.00 -0.71 0.00 0.00 52.86 51.33 2qua s ASN 223 Cb 0.13 -0.82 0.03 0.00 0.41 0.00 0.00 41.25 41.00 2qua s ASN 223 CO 0.78 -0.19 1.11 0.79 -1.51 0.00 0.00 177.10 178.07 2qua n TRP 224 N -1.08 -2.66 -1.30 2.20 8.01 -1.26 -0.47 117.44 120.88 2qua n TRP 224 Ca -0.04 0.98 -0.10 0.00 -1.31 0.00 0.00 57.50 57.02 2qua n TRP 224 Cb 0.60 -4.72 -0.04 0.00 -2.01 0.00 0.00 31.31 25.14 2qua n TRP 224 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qua n GLY 225 N -1.86 1.01 2.36 6.99 0.00 -1.26 -0.88 105.19 111.55 2qua n GLY 225 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2qua n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qua n GLY 226 N 0.22 0.42 0.39 -0.02 0.00 0.39 -4.92 105.19 101.67 2qua n GLY 226 Ca -0.10 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.11 2qua n GLY 226 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qua h PHE 227 N 0.00 0.73 -0.58 1.61 3.57 -1.14 -1.58 116.94 119.54 2qua h PHE 227 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2qua h PHE 227 Cb 0.21 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2qua h PHE 227 CO 0.13 0.12 0.00 0.66 -2.23 0.00 0.00 178.31 177.00 2qua n TYR 228 N -4.63 1.55 -0.25 0.41 4.01 -1.26 -3.35 117.16 113.64 2qua n TYR 228 Ca 0.23 -0.59 -0.05 0.00 -0.16 0.00 0.00 57.90 57.33 2qua n TYR 228 Cb 0.76 -0.31 0.05 0.00 -0.31 0.00 0.00 39.34 39.53 2qua n TYR 228 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qua h ALA 229 N 3.99 0.88 -0.69 -0.72 0.00 -1.32 -2.37 119.26 119.04 2qua h ALA 229 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2qua h ALA 229 Cb 1.52 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 2qua h ALA 229 CO 0.29 0.31 0.18 1.04 0.00 0.00 0.00 179.25 181.07 2qua n GLN 230 N -4.59 4.16 -1.26 0.00 1.13 -1.26 -4.93 117.38 110.62 2qua n GLN 230 Ca 0.06 -3.13 -0.30 0.00 -1.94 0.00 0.00 57.00 51.69 2qua n GLN 230 Cb 0.02 -2.24 0.12 0.00 0.11 0.00 0.00 30.24 28.25 2qua n GLN 230 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2qua s SER 231 N -0.95 3.90 -0.45 1.08 0.01 -0.89 -3.86 113.70 112.53 2qua s SER 231 Ca 0.55 1.57 -0.17 0.00 1.31 0.00 0.00 55.95 59.21 2qua s SER 231 Cb 0.43 -2.26 0.04 0.00 0.21 0.00 0.00 66.02 64.44 2qua s SER 231 CO 0.14 -2.38 0.44 0.20 0.41 0.00 0.00 173.24 172.06 2qua s ASN 232 N -3.47 6.18 -0.36 2.44 0.01 -0.60 -4.99 114.94 114.16 2qua s ASN 232 Ca 0.62 -0.90 -0.11 0.00 -0.71 0.00 0.00 52.86 51.77 2qua s ASN 232 Cb -0.17 -2.22 0.02 0.00 0.41 0.00 0.00 41.25 39.29 2qua s ASN 232 CO 0.56 -0.64 0.20 -0.31 -1.51 0.00 0.00 177.10 175.41 2qua s TYR 233 N 2.05 3.23 -0.30 2.20 2.02 -1.23 -0.42 117.35 124.89 2qua s TYR 233 Ca 0.10 -0.81 0.03 0.00 -0.37 0.00 0.00 57.07 56.02 2qua s TYR 233 Cb -0.19 -2.43 0.09 0.00 -0.40 0.00 0.00 41.96 39.02 2qua s TYR 233 CO 0.11 -0.59 0.01 0.08 -1.57 0.00 0.00 175.55 173.59 2qua s VAL 234 N 1.58 1.91 -0.19 0.71 1.01 -0.68 -1.42 120.40 123.33 2qua s VAL 234 Ca 0.03 -1.87 -0.07 0.00 0.00 0.00 0.00 61.98 60.07 2qua s VAL 234 Cb -0.19 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2qua s VAL 234 CO 0.07 -0.41 0.06 0.00 0.00 0.00 0.00 175.10 174.82 2qua s ALA 235 N 1.13 3.38 -0.16 5.51 0.00 -0.24 -3.94 121.76 127.46 2qua s ALA 235 Ca 0.04 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 2qua s ALA 235 Cb -0.19 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 2qua s ALA 235 CO -0.10 0.14 0.06 -0.06 0.00 0.00 0.00 175.76 175.80 2qua s PHE 236 N 0.44 3.27 -1.32 0.00 0.08 -0.08 -0.90 117.98 119.47 2qua s PHE 236 Ca 0.03 0.13 -0.03 0.00 0.12 0.00 0.00 56.93 57.18 2qua s PHE 236 Cb -0.13 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.34 2qua s PHE 236 CO 0.01 0.28 0.22 0.00 -0.10 0.00 0.00 175.22 175.62 2qua n ALA 237 N 3.09 -0.85 -2.05 5.36 0.00 -0.32 -0.51 120.51 125.22 2qua n ALA 237 Ca -0.17 0.14 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 2qua n ALA 237 Cb 0.53 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 2qua n ALA 237 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qua s SER 238 N -2.31 7.06 0.55 0.00 0.15 -1.26 -3.48 113.70 114.41 2qua s SER 238 Ca 0.14 2.25 0.34 0.00 0.70 0.00 0.00 55.95 59.38 2qua s SER 238 Cb -0.07 -2.61 1.40 0.00 -1.71 0.00 0.00 66.02 63.03 2qua s SER 238 CO 0.18 -0.40 2.00 1.55 1.20 0.00 0.00 173.24 177.77 2qua h PRO 239 N 5.29 0.00 -6.09 5.44 0.13 -1.76 0.11 132.00 135.11 2qua h PRO 239 Ca -0.44 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.10 2qua h PRO 239 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 2qua h PRO 239 CO 0.75 0.01 -0.65 0.95 -0.23 0.00 0.00 178.00 178.83 2qua s THR 240 N -3.69 2.80 -0.05 1.56 -4.23 -1.26 -1.08 115.64 109.70 2qua s THR 240 Ca 0.01 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2qua s THR 240 Cb 0.09 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 71.23 2qua s THR 240 CO 0.54 -0.27 -0.04 -1.10 -0.54 0.00 0.00 174.62 173.21 2qua s GLN 241 N -3.67 0.79 -0.28 3.99 1.11 -0.11 -4.87 119.66 116.62 2qua s GLN 241 Ca 0.33 -0.08 -0.07 0.00 0.01 0.00 0.00 55.36 55.55 2qua s GLN 241 Cb -0.02 -0.84 -0.01 0.00 -1.01 0.00 0.00 33.01 31.13 2qua s GLN 241 CO 0.19 -0.10 0.08 -0.47 0.01 0.00 0.00 175.29 175.00 2qua s TYR 242 N 1.00 3.12 -0.01 0.91 5.04 -1.26 -4.55 117.35 121.60 2qua s TYR 242 Ca -0.10 -0.70 0.00 0.00 -2.44 0.00 0.00 57.07 53.83 2qua s TYR 242 Cb -0.14 -2.26 -0.00 0.00 0.35 0.00 0.00 41.96 39.91 2qua s TYR 242 CO -0.00 -0.48 0.13 0.39 -1.34 0.00 0.00 175.55 174.25 2qua n GLU 243 N 4.90 5.02 -2.40 4.97 1.02 -1.26 -4.43 120.64 128.47 2qua n GLU 243 Ca -0.15 -0.12 -0.43 0.00 -0.02 0.00 0.00 57.16 56.44 2qua n GLU 243 Cb 0.50 -0.63 -0.02 0.00 -0.02 0.00 0.00 31.44 31.27 2qua n GLU 243 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qua s ALA 244 N -0.77 3.65 0.00 0.62 0.00 -1.26 -3.02 121.76 120.98 2qua s ALA 244 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2qua s ALA 244 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2qua s ALA 244 CO 0.00 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.02 2qua n GLY 245 N 3.63 0.70 2.77 0.00 0.00 -1.26 -4.49 105.19 106.53 2qua n GLY 245 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 2qua n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qua n GLY 246 N -2.07 -0.51 0.07 -0.02 0.00 -1.17 -4.92 105.19 96.58 2qua n GLY 246 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 2qua n GLY 246 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qua h LYS 247 N -0.84 0.00 -6.00 1.61 1.57 -1.83 -3.45 116.57 107.63 2qua h LYS 247 Ca -0.52 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.59 2qua h LYS 247 Cb 1.37 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.37 2qua h LYS 247 CO 0.58 0.88 -0.88 0.08 -0.57 0.00 0.00 179.45 179.54 2qua s VAL 248 N -2.73 1.94 -0.20 0.50 1.01 -1.26 -3.53 120.40 116.13 2qua s VAL 248 Ca 0.01 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 2qua s VAL 248 Cb 0.09 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2qua s VAL 248 CO 0.81 0.54 0.06 -0.51 0.00 0.00 0.00 175.10 176.01 2qua s ILE 249 N -0.22 4.63 -0.45 2.22 2.07 -0.51 -4.82 121.20 124.12 2qua s ILE 249 Ca -0.01 -0.08 -0.11 0.00 -1.41 0.00 0.00 60.65 59.04 2qua s ILE 249 Cb -0.13 -3.11 0.09 0.00 0.13 0.00 0.00 42.46 39.45 2qua s ILE 249 CO 0.03 0.42 0.32 0.20 -1.91 0.00 0.00 174.94 174.00 2qua s ASN 250 N 0.74 5.78 -0.19 4.50 0.01 0.04 -1.07 114.94 124.74 2qua s ASN 250 Ca 0.03 -1.62 -0.07 0.00 -0.71 0.00 0.00 52.86 50.49 2qua s ASN 250 Cb -0.13 -2.04 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 2qua s ASN 250 CO 0.02 -0.63 0.06 -0.63 -1.51 0.00 0.00 177.10 174.42 2qua s ILE 251 N 1.45 4.75 0.12 0.60 1.01 -0.08 -1.36 121.20 127.71 2qua s ILE 251 Ca 0.04 -0.05 -0.25 0.00 0.00 0.00 0.00 60.65 60.40 2qua s ILE 251 Cb -0.25 -3.15 0.08 0.00 0.01 0.00 0.00 42.46 39.16 2qua s ILE 251 CO 0.02 0.45 1.09 -0.83 0.00 0.00 0.00 174.94 175.67 2qua s GLY 252 N 0.46 -0.07 -0.01 6.18 0.00 -1.26 -1.18 107.32 111.44 2qua s GLY 252 Ca 0.03 -0.05 -0.15 0.00 0.00 0.00 0.00 44.72 44.55 2qua s GLY 252 CO 0.01 1.99 0.42 -0.19 0.00 0.00 0.00 173.10 175.32 2qua s TYR 253 N -2.43 3.70 0.40 1.90 2.02 -1.26 -4.49 117.35 117.19 2qua s TYR 253 Ca 0.20 0.98 0.17 0.00 -0.37 0.00 0.00 57.07 58.05 2qua s TYR 253 Cb -0.01 -2.32 1.00 0.00 -0.40 0.00 0.00 41.96 40.22 2qua s TYR 253 CO 0.03 0.59 1.94 1.05 -1.57 0.00 0.00 175.55 177.58 2qua h GLU 254 N 4.95 0.00 -0.39 -0.62 4.11 -0.72 -1.09 114.58 120.81 2qua h GLU 254 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2qua h GLU 254 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2qua h GLU 254 CO 0.63 0.24 0.00 0.27 0.07 0.00 0.00 179.01 180.22 2qua n ASN 255 N -4.04 2.12 -4.58 3.06 6.94 -1.26 -4.73 115.26 112.77 2qua n ASN 255 Ca -0.02 -1.98 -0.43 0.00 -0.02 0.00 0.00 54.58 52.13 2qua n ASN 255 Cb 0.31 -0.26 -0.04 0.00 -2.36 0.00 0.00 39.78 37.43 2qua n ASN 255 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2qua s ASP 256 N -1.03 6.56 0.41 0.53 -1.08 -0.42 -4.75 116.67 116.90 2qua s ASP 256 Ca 0.27 0.29 0.29 0.00 -0.52 0.00 0.00 52.55 52.88 2qua s ASP 256 Cb 0.14 -2.45 1.19 0.00 -1.46 0.00 0.00 42.92 40.34 2qua s ASP 256 CO 0.19 -0.97 1.85 1.55 0.52 0.00 0.00 175.17 178.31 2qua h PRO 257 N 8.84 0.00 0.03 4.34 0.13 -1.85 -2.46 132.00 141.04 2qua h PRO 257 Ca -0.24 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.65 2qua h PRO 257 Cb 1.08 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.21 2qua h PRO 257 CO 1.01 0.00 -1.02 0.28 -0.23 0.00 0.00 178.00 178.04 2qua h VAL 258 N 0.00 1.41 -2.22 1.56 2.07 -1.91 -3.39 116.25 113.76 2qua h VAL 258 Ca 0.00 -2.55 -0.56 0.00 0.82 0.00 0.00 66.70 64.41 2qua h VAL 258 Cb 0.43 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2qua h VAL 258 CO 0.00 0.76 1.36 0.12 0.02 0.00 0.00 177.57 179.83 2qua s PHE 259 N -3.14 1.29 -1.17 1.57 5.36 -0.93 -2.06 117.98 118.91 2qua s PHE 259 Ca -0.06 0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.05 2qua s PHE 259 Cb 0.08 -4.06 0.00 0.00 -0.34 0.00 0.00 43.02 38.70 2qua s PHE 259 CO 0.88 -4.58 0.00 0.54 -1.46 0.00 0.00 175.22 170.60 2qua n ARG 260 N 8.18 -0.79 0.13 10.12 1.74 0.37 -4.90 116.66 131.50 2qua n ARG 260 Ca 0.25 0.87 0.13 0.00 -0.77 0.00 0.00 57.85 58.33 2qua n ARG 260 Cb 0.43 -4.85 0.65 0.00 -1.02 0.00 0.00 32.46 27.67 2qua n ARG 260 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qua h ALA 261 N 0.05 2.20 -3.07 7.54 0.00 -1.36 -3.41 119.26 121.20 2qua h ALA 261 Ca -0.23 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.03 2qua h ALA 261 Cb 0.77 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 2qua h ALA 261 CO 0.34 -0.27 -0.57 -0.51 0.00 0.00 0.00 179.25 178.24 2qua s LEU 262 N -8.96 3.98 -0.61 0.00 1.43 -0.24 -3.99 118.68 110.29 2qua s LEU 262 Ca -0.05 0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.00 2qua s LEU 262 Cb 0.18 -2.49 0.12 0.00 0.03 0.00 0.00 46.19 44.03 2qua s LEU 262 CO 0.70 0.22 0.67 -0.62 0.23 0.00 0.00 176.35 177.55 2qua s ASP 263 N -2.11 6.24 0.09 2.29 -1.08 0.06 -4.62 116.67 117.54 2qua s ASP 263 Ca 0.27 -1.63 0.00 0.00 -0.52 0.00 0.00 52.55 50.68 2qua s ASP 263 Cb -0.12 -2.28 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 2qua s ASP 263 CO 0.19 -1.02 0.00 0.61 0.52 0.00 0.00 175.17 175.48 2qua n GLY 264 N 5.20 1.94 0.00 2.66 0.00 -1.26 -1.45 105.19 112.27 2qua n GLY 264 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2qua n GLY 264 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qua n THR 265 N 0.00 0.38 -3.32 2.61 -2.24 -1.26 -0.94 114.28 109.50 2qua n THR 265 Ca 0.00 -0.41 -0.38 0.00 -2.27 0.00 0.00 64.05 60.99 2qua n THR 265 Cb 0.00 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.07 2qua n THR 265 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2qua s SER 266 N -0.38 6.96 -0.00 3.42 0.01 -0.53 -4.80 113.70 118.38 2qua s SER 266 Ca 0.00 1.17 -0.30 0.00 1.31 0.00 0.00 55.95 58.13 2qua s SER 266 Cb 0.00 -2.33 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 2qua s SER 266 CO 0.00 0.23 1.02 -0.22 0.41 0.00 0.00 173.24 174.68 2qua s LEU 267 N -1.37 4.35 0.25 2.44 2.96 -1.26 -0.76 118.68 125.30 2qua s LEU 267 Ca 0.31 1.70 0.01 0.00 -0.22 0.00 0.00 54.13 55.94 2qua s LEU 267 Cb -0.18 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 2qua s LEU 267 CO 0.18 -0.32 0.08 0.42 -1.32 0.00 0.00 176.35 175.40 2qua s THR 268 N 1.16 0.62 0.17 3.68 -4.23 -1.26 -4.99 115.64 110.78 2qua s THR 268 Ca 0.53 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.85 2qua s THR 268 Cb -0.22 -2.59 0.09 0.00 1.34 0.00 0.00 72.50 71.12 2qua s THR 268 CO 0.27 -0.05 1.65 0.25 -0.54 0.00 0.00 174.62 176.19 2qua h LEU 269 N 2.40 -0.56 -2.58 4.79 5.85 -1.97 0.11 115.31 123.34 2qua h LEU 269 Ca -0.38 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2qua h LEU 269 Cb 1.24 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.59 2qua h LEU 269 CO 0.62 -0.20 0.09 -0.65 -0.34 0.00 0.00 178.44 177.96 2qua h PRO 270 N -0.10 0.00 -0.78 5.25 0.11 -1.94 -1.60 132.00 132.94 2qua h PRO 270 Ca 0.19 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.45 2qua h PRO 270 Cb 0.38 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.44 2qua h PRO 270 CO -0.44 0.00 0.52 0.77 -0.21 0.00 0.00 178.00 178.64 2qua h SER 271 N 0.00 0.38 -0.20 -2.05 0.02 -1.09 -0.52 113.55 110.09 2qua h SER 271 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2qua h SER 271 Cb 0.18 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2qua h SER 271 CO 0.00 0.19 0.00 0.18 -1.14 0.00 0.00 176.83 176.06 2qua n LEU 272 N -4.48 2.21 0.00 5.07 4.77 -0.60 -4.60 117.00 119.36 2qua n LEU 272 Ca 0.15 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 2qua n LEU 272 Cb 0.56 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2qua n LEU 272 CO 0.33 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 2qua n GLY 273 N 1.25 5.03 3.72 -0.72 0.00 -0.20 -4.43 105.19 109.84 2qua n GLY 273 Ca 0.17 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 2qua n GLY 273 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qua s VAL 274 N 3.21 4.94 -0.46 1.61 1.01 -1.25 -4.47 120.40 125.00 2qua s VAL 274 Ca 0.00 1.65 0.07 0.00 0.00 0.00 0.00 61.98 63.70 2qua s VAL 274 Cb 0.00 -4.13 0.23 0.00 0.00 0.00 0.00 36.38 32.48 2qua s VAL 274 CO 0.00 0.25 0.53 0.00 0.00 0.00 0.00 175.10 175.88 2qua n HIS 275 N 3.64 0.46 -1.00 5.22 1.44 -1.26 -4.72 115.22 119.01 2qua n HIS 275 Ca 0.01 -3.67 0.07 0.00 -2.01 0.00 0.00 57.72 52.12 2qua n HIS 275 Cb 0.51 -0.30 0.29 0.00 0.12 0.00 0.00 29.99 30.61 2qua n HIS 275 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2qua n ASP 276 N 1.57 4.24 -4.75 4.39 2.03 -1.26 -4.82 116.55 117.95 2qua n ASP 276 Ca 0.24 -3.04 -0.41 0.00 0.52 0.00 0.00 54.79 52.10 2qua n ASP 276 Cb 0.49 -0.58 -0.02 0.00 -0.72 0.00 0.00 41.12 40.29 2qua n ASP 276 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qua s ALA 277 N -2.84 3.61 0.11 -1.67 0.00 -1.26 -4.62 121.76 115.09 2qua s ALA 277 Ca 0.45 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.47 2qua s ALA 277 Cb 0.36 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 2qua s ALA 277 CO 0.10 -0.77 1.05 -1.25 0.00 0.00 0.00 175.76 174.89 2qua s PRO 278 N -0.77 4.59 -0.01 0.00 0.04 -1.26 -5.03 135.00 132.56 2qua s PRO 278 Ca 0.57 1.59 -0.02 0.00 0.04 0.00 0.00 61.00 63.19 2qua s PRO 278 Cb -0.42 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 2qua s PRO 278 CO 0.47 0.04 0.14 -1.01 0.04 0.00 0.00 177.00 176.68 2qua s HIS 279 N 0.27 3.44 0.28 0.56 3.76 -1.26 -5.02 115.29 117.33 2qua s HIS 279 Ca 0.51 0.30 -0.02 0.00 -0.15 0.00 0.00 55.06 55.70 2qua s HIS 279 Cb -0.26 -1.80 0.40 0.00 1.11 0.00 0.00 32.58 32.03 2qua s HIS 279 CO 0.31 0.61 1.89 1.79 -0.85 0.00 0.00 174.74 178.49 2qua h THR 280 N 3.03 1.22 -0.00 1.30 1.35 -2.01 -2.32 112.91 115.48 2qua h THR 280 Ca -0.49 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2qua h THR 280 Cb 1.19 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2qua h THR 280 CO 0.66 0.26 -0.08 -1.54 -0.25 0.00 0.00 175.52 174.57 2qua n SER 281 N -4.34 0.31 -4.76 5.36 3.41 -1.26 -4.93 113.62 107.41 2qua n SER 281 Ca 0.07 -0.45 -0.28 0.00 -0.26 0.00 0.00 58.87 57.94 2qua n SER 281 Cb 0.13 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 2qua n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qua s ALA 282 N -2.49 3.49 -0.66 7.33 0.00 -0.87 -0.78 121.76 127.77 2qua s ALA 282 Ca 0.29 -1.14 -0.27 0.00 0.00 0.00 0.00 51.96 50.84 2qua s ALA 282 Cb 0.20 -1.33 0.03 0.00 0.00 0.00 0.00 23.12 22.03 2qua s ALA 282 CO 0.47 0.62 1.20 0.95 0.00 0.00 0.00 175.76 179.00 2qua s THR 283 N -1.55 3.92 -1.18 0.00 -4.23 -0.46 -4.76 115.64 107.38 2qua s THR 283 Ca 0.29 0.51 0.26 0.00 -1.18 0.00 0.00 61.69 61.57 2qua s THR 283 Cb -0.11 -4.81 0.13 0.00 1.34 0.00 0.00 72.50 69.05 2qua s THR 283 CO 0.22 -1.60 1.57 0.59 -0.54 0.00 0.00 174.62 174.86 2qua n ASN 284 N 8.78 0.50 -2.38 3.99 3.02 -1.26 -4.43 115.26 123.49 2qua n ASN 284 Ca 0.04 -0.26 -0.03 0.00 -0.03 0.00 0.00 54.58 54.30 2qua n ASN 284 Cb 0.49 0.08 0.05 0.00 -0.61 0.00 0.00 39.78 39.78 2qua n ASN 284 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qua n ASN 285 N -1.31 2.06 -4.63 6.41 3.02 -1.26 -4.69 115.26 114.86 2qua n ASN 285 Ca 0.08 -2.40 -0.37 0.00 -0.03 0.00 0.00 54.58 51.86 2qua n ASN 285 Cb 0.33 -0.43 -0.10 0.00 -0.61 0.00 0.00 39.78 38.97 2qua n ASN 285 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qua s ILE 286 N -3.30 5.30 -0.20 2.41 1.01 -1.26 -1.48 121.20 123.68 2qua s ILE 286 Ca 0.33 0.16 -0.10 0.00 0.00 0.00 0.00 60.65 61.04 2qua s ILE 286 Cb 0.35 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 2qua s ILE 286 CO -0.05 0.31 0.12 -0.69 0.00 0.00 0.00 174.94 174.64 2qua s VAL 287 N 1.34 5.33 -0.81 2.92 1.01 0.12 -0.03 120.40 130.28 2qua s VAL 287 Ca 0.07 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 61.99 2qua s VAL 287 Cb -0.15 -3.44 0.08 0.00 0.00 0.00 0.00 36.38 32.88 2qua s VAL 287 CO 0.07 0.43 1.15 0.21 0.00 0.00 0.00 175.10 176.96 2qua s ASN 288 N 0.42 6.36 -1.13 3.32 3.84 -1.26 -0.68 114.94 125.80 2qua s ASN 288 Ca 0.07 -1.28 -0.17 0.00 0.21 0.00 0.00 52.86 51.69 2qua s ASN 288 Cb -0.11 -2.46 0.12 0.00 -0.55 0.00 0.00 41.25 38.24 2qua s ASN 288 CO -0.01 -1.41 1.43 0.12 -2.79 0.00 0.00 177.10 174.44 2qua s PHE 289 N 4.11 3.10 0.49 0.43 5.36 -0.02 -4.71 117.98 126.74 2qua s PHE 289 Ca 0.31 -1.65 0.03 0.00 -0.96 0.00 0.00 56.93 54.66 2qua s PHE 289 Cb -0.09 -4.47 0.03 0.00 -0.34 0.00 0.00 43.02 38.15 2qua s PHE 289 CO 0.02 -1.59 0.22 0.27 -1.46 0.00 0.00 175.22 172.68 2qua n ASN 290 N 6.98 2.89 -0.15 6.13 0.23 -1.26 -0.73 115.26 129.36 2qua n ASN 290 Ca 0.36 -2.86 0.02 0.00 -0.53 0.00 0.00 54.58 51.57 2qua n ASN 290 Cb 0.46 0.11 0.32 0.00 -2.08 0.00 0.00 39.78 38.59 2qua n ASN 290 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2qua h ASP 291 N 0.81 0.71 0.16 0.53 5.19 -1.92 -0.08 116.42 121.83 2qua h ASP 291 Ca -0.35 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.04 2qua h ASP 291 Cb 1.17 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.51 2qua h ASP 291 CO 0.56 0.51 -0.08 -0.74 -3.12 0.00 0.00 179.24 176.37 2qua h HIS 292 N 0.84 -0.20 -0.99 4.55 2.76 -1.94 -2.88 115.15 117.29 2qua h HIS 292 Ca 0.24 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.48 2qua h HIS 292 Cb -0.05 0.07 -0.07 0.00 1.55 0.00 0.00 27.41 28.91 2qua h HIS 292 CO -0.00 0.11 0.64 -0.92 -1.30 0.00 0.00 177.93 176.46 2qua h TYR 293 N -0.52 1.18 0.00 5.26 3.20 -1.72 -1.90 116.97 122.47 2qua h TYR 293 Ca -0.02 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2qua h TYR 293 Cb 0.40 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 2qua h TYR 293 CO 0.02 0.59 -0.12 0.00 -1.64 0.00 0.00 178.16 177.02 2qua h ALA 294 N 1.46 1.09 -2.32 1.82 0.00 -1.02 -3.45 119.26 116.84 2qua h ALA 294 Ca 0.43 -0.11 -0.62 0.00 0.00 0.00 0.00 54.91 54.62 2qua h ALA 294 Cb 0.20 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.85 2qua h ALA 294 CO -0.18 0.15 0.23 0.45 0.00 0.00 0.00 179.25 179.90 2qua s SER 295 N -5.98 6.52 0.25 0.00 0.15 -0.72 -4.94 113.70 108.99 2qua s SER 295 Ca -0.01 0.40 -0.06 0.00 0.70 0.00 0.00 55.95 56.98 2qua s SER 295 Cb 0.11 -2.35 0.28 0.00 -1.71 0.00 0.00 66.02 62.34 2qua s SER 295 CO 0.58 -0.57 1.92 0.44 1.20 0.00 0.00 173.24 176.82 2qua h ASP 296 N 8.28 1.14 -0.09 5.45 3.32 -1.86 -2.72 116.42 129.94 2qua h ASP 296 Ca -0.26 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 2qua h ASP 296 Cb 1.11 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 2qua h ASP 296 CO 0.84 0.82 0.04 0.00 -1.72 0.00 0.00 179.24 179.21 2qua h ALA 297 N 1.38 0.11 -0.66 3.45 0.00 -1.94 -2.09 119.26 119.51 2qua h ALA 297 Ca 0.38 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.30 2qua h ALA 297 Cb -0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2qua h ALA 297 CO -0.09 -0.31 0.44 -1.49 0.00 0.00 0.00 179.25 177.80 2qua h TRP 298 N -0.01 0.50 -0.32 0.00 4.06 -1.84 -2.88 115.95 115.45 2qua h TRP 298 Ca 0.03 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.99 2qua h TRP 298 Cb 0.16 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2qua h TRP 298 CO -0.02 0.23 0.00 0.09 -3.56 0.00 0.00 178.44 175.18 2qua n ASN 299 N -4.48 2.04 0.27 -3.49 3.02 -0.81 -2.79 115.26 109.03 2qua n ASN 299 Ca 0.11 -1.90 0.17 0.00 -0.03 0.00 0.00 54.58 52.93 2qua n ASN 299 Cb 0.39 -0.21 0.67 0.00 -0.61 0.00 0.00 39.78 40.01 2qua n ASN 299 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2qua h LEU 300 N 2.40 0.00 -9.75 3.41 3.38 -1.28 -3.43 115.31 110.05 2qua h LEU 300 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2qua h LEU 300 Cb 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2qua h LEU 300 CO 0.00 0.00 -0.12 -0.76 0.09 0.00 0.00 178.44 177.65 2qua s LEU 301 N -6.16 4.44 0.30 1.67 1.43 -1.12 -5.03 118.68 114.20 2qua s LEU 301 Ca 0.01 1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.89 2qua s LEU 301 Cb 0.09 -2.93 -0.11 0.00 0.03 0.00 0.00 46.19 43.26 2qua s LEU 301 CO 0.55 0.23 1.60 -2.84 0.23 0.00 0.00 176.35 176.11 2qua s PRO 302 N -1.45 4.11 0.22 1.29 0.02 -1.26 -4.95 135.00 132.99 2qua s PRO 302 Ca 0.31 2.59 -0.31 0.00 0.02 0.00 0.00 61.00 63.61 2qua s PRO 302 Cb -0.17 -3.02 -0.11 0.00 0.02 0.00 0.00 34.50 31.23 2qua s PRO 302 CO 0.17 -0.64 1.57 0.12 -0.33 0.00 0.00 177.00 177.89 2qua s PHE 303 N -0.01 2.95 -0.28 6.54 5.36 -1.26 -4.81 117.98 126.46 2qua s PHE 303 Ca 0.63 0.72 -0.26 0.00 -0.96 0.00 0.00 56.93 57.06 2qua s PHE 303 Cb -0.48 -3.97 0.17 0.00 -0.34 0.00 0.00 43.02 38.41 2qua s PHE 303 CO 0.48 -3.41 1.33 0.45 -1.46 0.00 0.00 175.22 172.61 2qua s SER 304 N 0.79 -0.14 0.48 6.13 0.15 -1.26 -4.01 113.70 115.84 2qua s SER 304 Ca 0.66 0.25 0.32 0.00 0.70 0.00 0.00 55.95 57.89 2qua s SER 304 Cb -0.45 0.25 1.68 0.00 -1.71 0.00 0.00 66.02 65.78 2qua s SER 304 CO 0.38 -0.06 1.98 -0.29 1.20 0.00 0.00 173.24 176.45 2qua h ILE 305 N 2.98 0.00 0.00 6.45 2.10 -1.80 -0.23 117.51 127.00 2qua h ILE 305 Ca -0.24 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.62 2qua h ILE 305 Cb 1.19 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 2qua h ILE 305 CO 0.18 0.00 -0.20 0.18 -1.08 0.00 0.00 178.15 177.23 2qua n LEU 306 N -2.67 0.43 -4.36 2.19 4.77 -1.26 -4.58 117.00 111.52 2qua n LEU 306 Ca -0.01 0.38 -0.45 0.00 -0.03 0.00 0.00 56.01 55.90 2qua n LEU 306 Cb 0.10 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 2qua n LEU 306 CO 0.17 -0.04 0.39 0.21 -1.33 0.00 0.00 177.39 176.79 2qua s ASN 307 N -3.62 6.28 0.21 -1.43 3.84 -0.10 -4.97 114.94 115.15 2qua s ASN 307 Ca 0.11 -1.70 -0.10 0.00 0.21 0.00 0.00 52.86 51.38 2qua s ASN 307 Cb 0.16 -2.28 0.25 0.00 -0.55 0.00 0.00 41.25 38.83 2qua s ASN 307 CO 0.61 -0.99 1.78 0.40 -2.79 0.00 0.00 177.10 176.11 2qua h ILE 308 N 5.78 0.89 -1.14 -5.21 1.08 -1.81 -1.46 117.51 115.64 2qua h ILE 308 Ca -0.22 -0.19 0.32 0.00 -0.39 0.00 0.00 64.86 64.38 2qua h ILE 308 Cb 1.08 0.28 -0.08 0.00 -3.07 0.00 0.00 36.82 35.03 2qua h ILE 308 CO 1.05 0.10 0.77 -0.65 -0.69 0.00 0.00 178.15 178.73 2qua h PRO 309 N 0.56 0.21 0.00 2.37 0.11 -1.94 0.41 132.00 133.72 2qua h PRO 309 Ca 0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.39 2qua h PRO 309 Cb 0.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2qua h PRO 309 CO -0.23 0.14 0.00 1.79 -0.21 0.00 0.00 178.00 179.49 2qua h THR 310 N 0.22 0.00 0.00 -1.15 1.35 -1.55 -2.47 112.91 109.31 2qua h THR 310 Ca 0.62 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 66.28 2qua h THR 310 Cb 1.94 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 2qua h THR 310 CO -0.22 0.00 0.00 0.79 -0.25 0.00 0.00 175.52 175.84 2qua n TRP 311 N -3.07 0.58 -0.31 4.73 7.02 0.13 -2.68 117.44 123.84 2qua n TRP 311 Ca -0.02 0.26 0.15 0.00 -1.02 0.00 0.00 57.50 56.87 2qua n TRP 311 Cb 0.16 -0.91 0.33 0.00 -2.42 0.00 0.00 31.31 28.47 2qua n TRP 311 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2qua h LEU 312 N 0.00 0.24 -0.06 -0.99 5.85 -1.61 -0.97 115.31 117.77 2qua h LEU 312 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2qua h LEU 312 Cb 0.19 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2qua h LEU 312 CO 0.00 -0.08 0.00 -1.20 -0.34 0.00 0.00 178.44 176.82 2qua n SER 313 N -5.11 0.07 0.06 1.25 7.64 -1.09 -2.63 113.62 113.80 2qua n SER 313 Ca 0.24 0.52 0.12 0.00 1.01 0.00 0.00 58.87 60.75 2qua n SER 313 Cb 0.73 -0.53 0.08 0.00 -1.01 0.00 0.00 64.21 63.48 2qua n SER 313 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2qua n HIS 314 N -1.57 0.56 -1.87 1.43 -0.00 -0.37 -4.68 115.22 108.72 2qua n HIS 314 Ca 0.04 0.16 -0.41 0.00 -0.00 0.00 0.00 57.72 57.50 2qua n HIS 314 Cb 0.19 -0.66 -0.02 0.00 -0.00 0.00 0.00 29.99 29.50 2qua n HIS 314 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2qua s LEU 315 N -4.40 4.36 0.46 0.27 1.43 -1.08 -4.87 118.68 114.84 2qua s LEU 315 Ca 0.04 2.87 0.16 0.00 -1.03 0.00 0.00 54.13 56.17 2qua s LEU 315 Cb 0.13 -3.64 1.11 0.00 0.03 0.00 0.00 46.19 43.82 2qua s LEU 315 CO 0.76 -0.82 1.99 -0.65 0.23 0.00 0.00 176.35 177.86 2qua h PRO 316 N 4.53 0.30 -0.07 1.29 0.11 -1.93 -1.74 132.00 134.49 2qua h PRO 316 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2qua h PRO 316 Cb 1.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2qua h PRO 316 CO 0.76 0.20 -0.12 0.27 -0.21 0.00 0.00 178.00 178.89 2qua h PHE 317 N 0.31 0.10 -0.26 0.65 -5.15 -1.92 0.11 116.94 110.78 2qua h PHE 317 Ca 0.26 -0.01 -0.12 0.00 -0.20 0.00 0.00 57.97 57.91 2qua h PHE 317 Cb 0.61 -0.03 -0.01 0.00 0.22 0.00 0.00 35.95 36.74 2qua h PHE 317 CO -0.00 0.23 -0.33 0.74 -2.00 0.00 0.00 178.31 176.94 2qua h PHE 318 N 0.10 0.65 0.22 6.09 0.04 -1.68 -0.76 116.94 121.60 2qua h PHE 318 Ca 0.02 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 2qua h PHE 318 Cb 0.28 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2qua h PHE 318 CO 0.00 0.82 -0.11 1.88 -0.60 0.00 0.00 178.31 180.31 2qua h TYR 319 N 0.47 -0.27 0.62 -0.55 -1.99 -1.18 -1.27 116.97 112.80 2qua h TYR 319 Ca 0.05 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 2qua h TYR 319 Cb 0.80 0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.61 2qua h TYR 319 CO 0.03 0.06 -0.44 0.37 -0.00 0.00 0.00 178.16 178.18 2qua h GLN 320 N -0.64 -0.98 -0.15 4.88 -0.00 -0.77 -1.97 115.11 115.47 2qua h GLN 320 Ca -0.03 0.07 -0.11 0.00 -0.00 0.00 0.00 58.65 58.58 2qua h GLN 320 Cb 0.46 0.22 0.00 0.00 0.00 0.00 0.00 27.48 28.16 2qua h GLN 320 CO 0.05 -0.66 -0.33 0.22 0.00 0.00 0.00 178.83 178.11 2qua h ASP 321 N -1.02 0.55 -0.14 -0.69 3.58 -1.23 -2.77 116.42 114.69 2qua h ASP 321 Ca -0.08 -0.56 -0.06 0.00 0.42 0.00 0.00 57.03 56.75 2qua h ASP 321 Cb 0.85 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.74 2qua h ASP 321 CO 0.04 1.01 -0.16 1.23 -2.88 0.00 0.00 179.24 178.48 2qua h GLY 322 N 0.11 0.39 2.00 -0.78 0.00 -1.29 -2.88 103.07 100.62 2qua h GLY 322 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 2qua h GLY 322 CO 0.07 0.37 -0.49 1.41 0.00 0.00 0.00 176.54 177.90 2qua h LEU 323 N -0.02 0.00 -1.03 3.11 3.38 -1.46 -2.12 115.31 117.18 2qua h LEU 323 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2qua h LEU 323 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2qua h LEU 323 CO 0.04 0.49 0.20 0.24 0.09 0.00 0.00 178.44 179.50 2qua h MET 324 N 0.00 0.90 -0.09 1.13 2.86 -1.54 0.08 114.93 118.27 2qua h MET 324 Ca -0.00 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.37 2qua h MET 324 Cb 1.01 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 2qua h MET 324 CO 0.06 0.77 -0.39 0.00 1.06 0.00 0.00 176.91 178.41 2qua h ARG 325 N 0.87 0.20 0.02 1.72 3.08 -1.23 -0.58 114.38 118.46 2qua h ARG 325 Ca 0.20 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2qua h ARG 325 Cb 0.24 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2qua h ARG 325 CO -0.01 0.57 -0.01 0.28 -1.07 0.00 0.00 179.97 179.73 2qua h VAL 326 N 0.17 1.24 -0.94 2.04 2.07 -0.99 -1.91 116.25 117.93 2qua h VAL 326 Ca 0.02 -0.79 0.11 0.00 0.82 0.00 0.00 66.70 66.85 2qua h VAL 326 Cb 0.77 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 32.25 2qua h VAL 326 CO 0.06 0.20 0.60 0.25 0.02 0.00 0.00 177.57 178.71 2qua h LEU 327 N -0.36 0.85 -1.53 2.57 5.85 -0.77 -2.33 115.31 119.59 2qua h LEU 327 Ca -0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2qua h LEU 327 Cb 0.35 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2qua h LEU 327 CO 0.00 0.48 0.00 0.59 -0.34 0.00 0.00 178.44 179.17 2qua n ASN 328 N -4.56 2.27 -4.77 1.25 5.03 -0.24 -4.86 115.26 109.37 2qua n ASN 328 Ca 0.17 -1.87 -0.41 0.00 0.87 0.00 0.00 54.58 53.35 2qua n ASN 328 Cb 0.33 -0.20 -0.02 0.00 -1.02 0.00 0.00 39.78 38.88 2qua n ASN 328 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2qua s SER 329 N -1.35 6.65 0.61 6.41 0.15 -0.73 -4.88 113.70 120.55 2qua s SER 329 Ca 0.33 2.79 0.35 0.00 0.70 0.00 0.00 55.95 60.12 2qua s SER 329 Cb 0.18 -2.65 2.00 0.00 -1.71 0.00 0.00 66.02 63.83 2qua s SER 329 CO 0.25 -0.64 2.27 -0.08 1.20 0.00 0.00 173.24 176.25 2qua h GLU 330 N 3.34 0.00 -0.30 5.44 4.81 -1.90 -1.54 114.58 124.43 2qua h GLU 330 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2qua h GLU 330 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2qua h GLU 330 CO 0.66 0.01 0.00 1.19 -0.73 0.00 0.00 179.01 180.14 2qua n PHE 331 N -3.54 0.39 -0.31 0.92 3.72 -1.26 -4.63 117.46 112.75 2qua n PHE 331 Ca -0.03 -0.20 0.06 0.00 -0.05 0.00 0.00 57.45 57.23 2qua n PHE 331 Cb 0.10 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 38.85 2qua n PHE 331 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2qua h TYR 332 N 3.22 0.86 0.00 1.38 3.20 -1.56 -1.00 116.97 123.07 2qua h TYR 332 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2qua h TYR 332 Cb 0.71 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2qua h TYR 332 CO 0.20 0.28 0.00 -1.13 -1.64 0.00 0.00 178.16 175.87 2qua n SER 333 N -4.78 0.00 -0.24 -2.11 3.41 -1.26 -0.92 113.62 107.72 2qua n SER 333 Ca 0.16 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 59.10 2qua n SER 333 Cb 0.37 -0.36 0.24 0.00 -0.26 0.00 0.00 64.21 64.20 2qua n SER 333 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qua n LEU 334 N -1.36 1.14 -4.90 1.04 4.77 -0.38 -4.62 117.00 112.70 2qua n LEU 334 Ca 0.06 -0.34 -0.29 0.00 -0.03 0.00 0.00 56.01 55.41 2qua n LEU 334 Cb 0.14 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2qua n LEU 334 CO 0.13 0.22 0.30 0.42 -1.33 0.00 0.00 177.39 177.13 2qua s THR 335 N -2.62 4.94 0.26 -5.08 -4.23 -0.10 -4.95 115.64 103.86 2qua s THR 335 Ca 0.20 0.23 0.06 0.00 -1.18 0.00 0.00 61.69 61.00 2qua s THR 335 Cb 0.18 -3.75 -0.06 0.00 1.34 0.00 0.00 72.50 70.22 2qua s THR 335 CO 0.59 -0.44 -0.05 -1.81 -0.54 0.00 0.00 174.62 172.36 2qua s ASP 336 N -3.28 2.51 0.30 3.99 1.01 -1.26 -0.92 116.67 119.02 2qua s ASP 336 Ca 0.46 -1.18 -0.00 0.00 0.71 0.00 0.00 52.55 52.54 2qua s ASP 336 Cb -0.10 -0.12 0.69 0.00 1.01 0.00 0.00 42.92 44.40 2qua s ASP 336 CO 0.32 -0.37 1.58 0.50 0.21 0.00 0.00 175.17 177.40 2qua h LYS 337 N 2.35 0.02 -0.51 8.23 3.64 -1.71 -0.13 116.57 128.45 2qua h LYS 337 Ca -0.39 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2qua h LYS 337 Cb 1.23 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2qua h LYS 337 CO 0.66 0.01 0.00 -0.25 -2.27 0.00 0.00 179.45 177.60 2qua n ASP 338 N -5.49 5.27 -4.68 4.20 8.00 -1.26 -4.07 116.55 118.52 2qua n ASP 338 Ca 0.21 -2.92 -0.43 0.00 0.71 0.00 0.00 54.79 52.36 2qua n ASP 338 Cb 0.70 -0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 41.14 2qua n ASP 338 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2qua n SER 339 N 0.39 2.58 -4.61 -2.24 7.64 -0.06 -4.65 113.62 112.67 2qua n SER 339 Ca 0.26 1.19 -0.43 0.00 1.01 0.00 0.00 58.87 60.90 2qua n SER 339 Cb 1.11 -1.45 -0.02 0.00 -1.01 0.00 0.00 64.21 62.85 2qua n SER 339 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2qua s THR 340 N -0.82 3.87 -0.15 0.44 2.01 -1.25 -4.39 115.64 115.34 2qua s THR 340 Ca 0.59 0.93 0.00 0.00 0.31 0.00 0.00 61.69 63.53 2qua s THR 340 Cb -0.61 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 67.91 2qua s THR 340 CO 0.59 -0.55 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.21 2qua s ILE 341 N 5.29 1.52 -0.33 1.82 1.01 -0.55 -0.89 121.20 129.07 2qua s ILE 341 Ca 0.64 -0.61 -0.13 0.00 0.00 0.00 0.00 60.65 60.55 2qua s ILE 341 Cb -0.18 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 2qua s ILE 341 CO 0.30 0.44 0.24 -0.63 0.00 0.00 0.00 174.94 175.28 2qua s ILE 342 N 1.51 5.28 -0.31 2.92 -1.09 0.11 0.14 121.20 129.76 2qua s ILE 342 Ca 0.05 -0.14 -0.10 0.00 -2.23 0.00 0.00 60.65 58.22 2qua s ILE 342 Cb -0.13 -3.69 -0.01 0.00 -1.58 0.00 0.00 42.46 37.05 2qua s ILE 342 CO -0.10 0.02 0.16 -0.69 -1.23 0.00 0.00 174.94 173.10 2qua s VAL 343 N 1.74 4.68 -0.04 2.92 1.01 0.15 -0.63 120.40 130.23 2qua s VAL 343 Ca 0.07 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 2qua s VAL 343 Cb -0.17 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 2qua s VAL 343 CO 0.11 0.05 1.71 -0.55 0.00 0.00 0.00 175.10 176.42 2qua s SER 344 N 1.62 6.63 -0.27 3.32 0.15 -0.54 -0.84 113.70 123.78 2qua s SER 344 Ca 0.05 2.31 0.22 0.00 0.70 0.00 0.00 55.95 59.22 2qua s SER 344 Cb -0.17 -2.53 0.50 0.00 -1.71 0.00 0.00 66.02 62.10 2qua s SER 344 CO 0.07 -0.95 1.11 0.59 1.20 0.00 0.00 173.24 175.26 2qua n ASN 345 N 7.21 1.38 -4.83 5.45 3.02 0.09 -4.70 115.26 122.89 2qua n ASN 345 Ca 0.18 -2.13 -0.32 0.00 -0.03 0.00 0.00 54.58 52.28 2qua n ASN 345 Cb 0.42 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 39.16 2qua n ASN 345 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qua s LEU 346 N -3.73 3.56 0.92 3.41 1.43 -1.16 -4.17 118.68 118.94 2qua s LEU 346 Ca 0.26 1.64 -0.13 0.00 -1.03 0.00 0.00 54.13 54.87 2qua s LEU 346 Cb 0.35 -4.51 0.14 0.00 0.03 0.00 0.00 46.19 42.19 2qua s LEU 346 CO -0.03 -0.80 1.16 -0.94 0.23 0.00 0.00 176.35 175.97 2qua s SER 347 N -3.04 3.47 0.53 2.29 1.04 -1.26 -4.84 113.70 111.90 2qua s SER 347 Ca 0.60 0.84 0.31 0.00 0.48 0.00 0.00 55.95 58.18 2qua s SER 347 Cb -0.12 -1.33 1.42 0.00 0.10 0.00 0.00 66.02 66.10 2qua s SER 347 CO 0.34 -2.56 2.02 0.78 0.98 0.00 0.00 173.24 174.81 2qua h ASN 348 N -1.51 0.00 -0.13 7.02 2.35 -0.75 -1.71 115.58 120.86 2qua h ASN 348 Ca -0.49 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.18 2qua h ASN 348 Cb 1.32 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.67 2qua h ASN 348 CO 0.58 0.09 -0.18 0.58 -1.65 0.00 0.00 177.43 176.85 2qua h VAL 349 N 0.00 1.25 0.00 2.81 2.07 -1.82 -3.34 116.25 117.21 2qua h VAL 349 Ca -0.00 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.36 2qua h VAL 349 Cb 0.45 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2qua h VAL 349 CO 0.01 0.37 -0.91 0.35 0.02 0.00 0.00 177.57 177.42 2qua n THR 350 N -4.16 0.00 -0.09 2.57 -2.24 -1.11 -4.66 114.28 104.59 2qua n THR 350 Ca 0.00 -0.25 0.05 0.00 -2.27 0.00 0.00 64.05 61.58 2qua n THR 350 Cb 0.37 0.67 0.39 0.00 -2.10 0.00 0.00 70.33 69.65 2qua n THR 350 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2qua h ARG 351 N 0.00 0.64 -0.00 -0.78 2.43 -1.44 -1.39 114.38 113.84 2qua h ARG 351 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2qua h ARG 351 Cb 0.33 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2qua h ARG 351 CO 0.00 0.43 -0.18 0.41 -1.51 0.00 0.00 179.97 179.12 2qua n GLY 352 N -1.46 -1.27 0.05 2.80 0.00 -1.26 -3.99 105.19 100.06 2qua n GLY 352 Ca 0.07 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.87 2qua n GLY 352 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qua n ASN 353 N -1.34 0.83 -3.93 1.61 0.23 -0.79 -5.01 115.26 106.86 2qua n ASN 353 Ca 0.09 -1.56 -0.26 0.00 -0.53 0.00 0.00 54.58 52.33 2qua n ASN 353 Cb 0.32 -0.04 -0.17 0.00 -2.08 0.00 0.00 39.78 37.81 2qua n ASN 353 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2qua s THR 354 N -0.52 0.98 -0.06 5.53 2.01 -0.59 -5.10 115.64 117.89 2qua s THR 354 Ca 0.02 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 2qua s THR 354 Cb 0.02 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 2qua s THR 354 CO 0.00 0.35 1.08 0.26 -0.69 0.00 0.00 174.62 175.62 2qua s TRP 355 N 1.42 3.43 -0.22 4.92 0.52 -1.26 -4.49 118.94 123.25 2qua s TRP 355 Ca -0.01 1.47 -0.29 0.00 0.02 0.00 0.00 56.10 57.29 2qua s TRP 355 Cb -0.13 -3.27 0.00 0.00 -1.15 0.00 0.00 33.47 28.92 2qua s TRP 355 CO -0.05 -0.61 1.12 0.08 0.02 0.00 0.00 176.95 177.52 2qua s VAL 356 N 1.88 4.52 0.18 4.03 1.01 0.26 -4.89 120.40 127.40 2qua s VAL 356 Ca 0.52 1.83 -0.22 0.00 0.00 0.00 0.00 61.98 64.11 2qua s VAL 356 Cb -0.21 -4.22 0.06 0.00 0.00 0.00 0.00 36.38 32.01 2qua s VAL 356 CO 0.21 -0.20 0.61 -1.83 0.00 0.00 0.00 175.10 173.89 2qua s GLU 357 N 3.37 1.37 -0.98 2.72 -1.05 -1.26 -0.73 118.70 122.15 2qua s GLU 357 Ca 0.48 -0.60 -0.24 0.00 -0.15 0.00 0.00 54.97 54.46 2qua s GLU 357 Cb -0.17 0.58 0.03 0.00 -0.44 0.00 0.00 34.13 34.14 2qua s GLU 357 CO 0.10 -0.60 1.53 0.34 0.95 0.00 0.00 175.26 177.58 2qua s ASP 358 N -2.79 6.24 0.46 0.83 2.15 -1.26 -4.75 116.67 117.54 2qua s ASP 358 Ca 0.03 -1.24 0.26 0.00 0.43 0.00 0.00 52.55 52.03 2qua s ASP 358 Cb -0.02 -2.57 0.76 0.00 -0.30 0.00 0.00 42.92 40.79 2qua s ASP 358 CO -0.09 -1.75 1.76 -0.07 -0.17 0.00 0.00 175.17 174.85 2qua h LEU 359 N 13.71 0.00 2.27 -1.34 3.38 -1.98 -3.47 115.31 127.88 2qua h LEU 359 Ca 0.15 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.71 2qua h LEU 359 Cb 1.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.77 2qua h LEU 359 CO 1.38 0.10 -0.56 -3.20 0.09 0.00 0.00 178.44 176.25 2qua n ASN 360 N -3.16 -5.93 -4.75 -0.43 4.05 -1.26 -4.94 115.26 98.84 2qua n ASN 360 Ca 0.02 -0.11 -0.40 0.00 0.45 0.00 0.00 54.58 54.54 2qua n ASN 360 Cb 0.46 -4.88 -0.04 0.00 1.23 0.00 0.00 39.78 36.55 2qua n ASN 360 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 2qua s ARG 361 N -5.29 4.61 -1.30 1.20 3.52 -1.26 -3.91 118.95 116.52 2qua s ARG 361 Ca 0.11 1.82 -0.14 0.00 -0.13 0.00 0.00 55.73 57.39 2qua s ARG 361 Cb -0.05 -3.20 0.01 0.00 -1.56 0.00 0.00 34.95 30.15 2qua s ARG 361 CO 0.13 0.15 0.54 0.09 -0.81 0.00 0.00 175.30 175.41 2qua n ASN 362 N 1.42 -2.53 -3.54 -2.12 5.03 -1.26 -4.94 115.26 107.33 2qua n ASN 362 Ca -0.00 -1.10 -0.11 0.00 0.87 0.00 0.00 54.58 54.23 2qua n ASN 362 Cb 0.45 -2.70 -0.04 0.00 -1.02 0.00 0.00 39.78 36.47 2qua n ASN 362 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qua s ALA 363 N -3.77 -1.86 0.75 5.41 0.00 -1.25 -4.83 121.76 116.22 2qua s ALA 363 Ca 0.25 1.32 -0.15 0.00 0.00 0.00 0.00 51.96 53.38 2qua s ALA 363 Cb -0.11 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.87 2qua s ALA 363 CO 0.91 -0.46 0.98 0.39 0.00 0.00 0.00 175.76 177.58 2qua n GLU 364 N 0.40 0.40 -1.67 0.00 1.02 -1.26 -4.87 120.64 114.66 2qua n GLU 364 Ca -0.11 0.20 -0.46 0.00 -0.02 0.00 0.00 57.16 56.76 2qua n GLU 364 Cb 0.59 -2.24 -0.04 0.00 -0.02 0.00 0.00 31.44 29.73 2qua n GLU 364 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2qua n THR 365 N -2.71 0.19 -2.47 2.62 -1.04 -1.26 -4.96 114.28 104.65 2qua n THR 365 Ca 0.13 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.05 61.77 2qua n THR 365 Cb 0.50 -1.67 -0.03 0.00 -1.82 0.00 0.00 70.33 67.31 2qua n THR 365 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2qua s HIS 366 N 1.93 3.06 0.21 -1.42 0.09 -1.26 -5.08 115.29 112.82 2qua s HIS 366 Ca 0.83 1.56 -0.07 0.00 -0.00 0.00 0.00 55.06 57.38 2qua s HIS 366 Cb -0.67 -3.01 -0.02 0.00 -0.00 0.00 0.00 32.58 28.87 2qua s HIS 366 CO 0.42 -0.78 0.27 -1.54 -0.00 0.00 0.00 174.74 173.11 2qua s SER 367 N -2.23 0.06 0.00 1.40 1.04 -1.26 -5.12 113.70 107.58 2qua s SER 367 Ca 0.65 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2qua s SER 367 Cb -0.15 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2qua s SER 367 CO 0.23 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.11 2qua n GLY 368 N -0.29 -2.40 3.75 7.32 0.00 -1.26 -4.60 105.19 107.71 2qua n GLY 368 Ca -0.01 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 2qua n GLY 368 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qua s PRO 369 N -0.52 1.93 -0.08 1.61 0.04 -1.26 -4.79 135.00 131.92 2qua s PRO 369 Ca 0.00 1.02 0.04 0.00 0.04 0.00 0.00 61.00 62.10 2qua s PRO 369 Cb 0.00 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 2qua s PRO 369 CO 0.00 -1.83 -0.23 0.99 0.04 0.00 0.00 177.00 175.97 2qua s THR 370 N -2.93 2.23 -0.18 1.26 2.01 -0.43 -3.94 115.64 113.66 2qua s THR 370 Ca 0.62 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 2qua s THR 370 Cb -0.17 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 2qua s THR 370 CO 0.56 0.56 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.65 2qua s PHE 371 N 0.04 2.98 -0.21 4.92 0.08 -0.07 -0.04 117.98 125.68 2qua s PHE 371 Ca -0.09 -0.54 -0.00 0.00 0.12 0.00 0.00 56.93 56.42 2qua s PHE 371 Cb -0.15 -2.01 0.02 0.00 -0.57 0.00 0.00 43.02 40.31 2qua s PHE 371 CO 0.06 -0.24 -0.13 0.42 -0.10 0.00 0.00 175.22 175.23 2qua s ILE 372 N 0.79 2.51 -0.34 0.64 1.01 0.11 0.09 121.20 126.01 2qua s ILE 372 Ca -0.01 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 2qua s ILE 372 Cb -0.15 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.15 2qua s ILE 372 CO 0.02 0.37 0.19 -0.63 0.00 0.00 0.00 174.94 174.89 2qua s ILE 373 N 1.31 4.75 0.04 2.92 -1.09 0.20 -1.01 121.20 128.31 2qua s ILE 373 Ca 0.02 -0.52 -0.01 0.00 -2.23 0.00 0.00 60.65 57.91 2qua s ILE 373 Cb -0.15 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 2qua s ILE 373 CO -0.08 -0.05 0.04 0.61 -1.23 0.00 0.00 174.94 174.22 2qua n GLY 374 N 5.02 -2.05 3.69 6.18 0.00 0.98 -1.46 105.19 117.55 2qua n GLY 374 Ca -0.13 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 2qua n GLY 374 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qua s SER 375 N -1.47 4.04 0.00 1.61 1.04 -1.25 -4.66 113.70 113.01 2qua s SER 375 Ca 0.02 -1.45 0.15 0.00 0.48 0.00 0.00 55.95 55.15 2qua s SER 375 Cb -0.00 -0.02 0.88 0.00 0.10 0.00 0.00 66.02 66.97 2qua s SER 375 CO 0.02 -0.63 1.49 0.47 0.98 0.00 0.00 173.24 175.57 2qua n ASP 376 N -1.13 0.00 -3.05 7.02 8.00 -1.26 -4.13 116.55 122.00 2qua n ASP 376 Ca -0.10 -1.35 -0.09 0.00 0.71 0.00 0.00 54.79 53.96 2qua n ASP 376 Cb 0.67 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.81 2qua n ASP 376 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qua n GLY 377 N 0.61 0.95 3.60 0.44 0.00 -1.26 -3.44 105.19 106.10 2qua n GLY 377 Ca 0.11 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 2qua n GLY 377 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qua s ASN 378 N -2.60 6.56 0.16 1.61 0.01 -1.26 -4.29 114.94 115.14 2qua s ASN 378 Ca 0.26 0.64 0.05 0.00 -0.71 0.00 0.00 52.86 53.10 2qua s ASN 378 Cb -0.02 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 2qua s ASN 378 CO 0.17 -1.28 0.14 -1.81 -1.51 0.00 0.00 177.10 172.81 2qua s ASP 379 N 2.87 5.56 -0.28 -1.22 1.01 -1.24 -4.65 116.67 118.72 2qua s ASP 379 Ca 0.52 -0.11 -0.02 0.00 0.71 0.00 0.00 52.55 53.65 2qua s ASP 379 Cb -0.10 -1.47 0.04 0.00 1.01 0.00 0.00 42.92 42.41 2qua s ASP 379 CO 0.31 0.07 -0.02 -0.76 0.21 0.00 0.00 175.17 174.98 2qua s LEU 380 N -3.09 3.66 -0.11 1.23 1.43 -1.26 -0.76 118.68 119.79 2qua s LEU 380 Ca 0.31 -1.13 0.03 0.00 -1.03 0.00 0.00 54.13 52.31 2qua s LEU 380 Cb -0.10 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.43 2qua s LEU 380 CO 0.24 -0.21 -0.19 -0.63 0.23 0.00 0.00 176.35 175.78 2qua s ILE 381 N 1.28 1.77 -0.13 -0.59 1.01 -0.20 -0.57 121.20 123.77 2qua s ILE 381 Ca -0.03 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 2qua s ILE 381 Cb -0.19 -1.56 0.02 0.00 0.01 0.00 0.00 42.46 40.74 2qua s ILE 381 CO -0.02 0.49 -0.10 -0.75 0.00 0.00 0.00 174.94 174.56 2qua s LYS 382 N 0.67 1.81 0.46 2.79 2.20 0.10 -1.29 119.74 126.47 2qua s LYS 382 Ca -0.12 -0.37 -0.10 0.00 -0.36 0.00 0.00 55.97 55.02 2qua s LYS 382 Cb -0.16 -1.79 -0.05 0.00 -1.51 0.00 0.00 37.83 34.32 2qua s LYS 382 CO 0.03 -0.26 0.83 0.20 -0.36 0.00 0.00 175.35 175.79 2qua s GLY 383 N 1.63 1.80 0.00 5.54 0.00 -0.27 -4.35 107.32 111.67 2qua s GLY 383 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2qua s GLY 383 CO -0.09 -0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.59 2qua n GLY 384 N -1.78 0.36 0.05 0.20 0.00 -1.26 -1.45 105.19 101.31 2qua n GLY 384 Ca 0.03 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.32 2qua n GLY 384 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qua n LYS 385 N -0.56 0.11 0.00 1.61 5.02 -1.26 -2.43 118.16 120.65 2qua n LYS 385 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2qua n LYS 385 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 2qua n LYS 385 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qua n GLY 386 N 1.02 1.14 3.70 0.72 0.00 -1.26 -2.76 105.19 107.75 2qua n GLY 386 Ca 0.05 -1.85 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 2qua n GLY 386 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qua s ASN 387 N -1.00 6.67 0.05 1.61 0.01 -1.26 -4.03 114.94 116.99 2qua s ASN 387 Ca 0.00 0.80 0.06 0.00 -0.71 0.00 0.00 52.86 53.01 2qua s ASN 387 Cb 0.00 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 2qua s ASN 387 CO 0.00 -0.08 -0.18 -1.81 -1.51 0.00 0.00 177.10 173.52 2qua s ASP 388 N 0.84 2.14 -0.28 -1.22 1.01 -1.18 -1.31 116.67 116.67 2qua s ASP 388 Ca 0.26 -0.53 0.03 0.00 0.71 0.00 0.00 52.55 53.02 2qua s ASP 388 Cb -0.15 -0.15 0.07 0.00 1.01 0.00 0.00 42.92 43.70 2qua s ASP 388 CO 0.11 0.09 -0.04 -0.31 0.21 0.00 0.00 175.17 175.22 2qua s TYR 389 N -0.90 3.11 -0.18 4.23 2.02 0.95 -1.44 117.35 125.15 2qua s TYR 389 Ca 0.05 -2.35 -0.04 0.00 -0.37 0.00 0.00 57.07 54.36 2qua s TYR 389 Cb -0.09 -2.11 -0.02 0.00 -0.40 0.00 0.00 41.96 39.34 2qua s TYR 389 CO 0.02 -0.87 -0.04 -0.51 -1.57 0.00 0.00 175.55 172.58 2qua s LEU 390 N 1.14 3.10 -0.23 -1.29 1.43 -0.13 -0.72 118.68 121.98 2qua s LEU 390 Ca -0.02 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2qua s LEU 390 Cb -0.19 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.31 2qua s LEU 390 CO -0.07 0.09 -0.14 -0.70 0.23 0.00 0.00 176.35 175.76 2qua s GLU 391 N 0.84 2.48 0.17 1.70 2.12 -0.18 -0.38 118.70 125.45 2qua s GLU 391 Ca -0.01 -1.17 0.01 0.00 0.36 0.00 0.00 54.97 54.16 2qua s GLU 391 Cb -0.15 -2.78 0.03 0.00 0.26 0.00 0.00 34.13 31.50 2qua s GLU 391 CO 0.02 -0.45 1.41 0.78 -0.54 0.00 0.00 175.26 176.47 2qua h GLY 392 N 7.83 0.31 0.00 -1.50 0.00 -0.91 0.28 103.07 109.07 2qua h GLY 392 Ca -0.28 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.56 2qua h GLY 392 CO 0.52 0.43 0.00 0.54 0.00 0.00 0.00 176.54 178.03 2qua n ARG 393 N -3.74 0.00 -0.53 4.80 1.74 -1.25 -3.91 116.66 113.76 2qua n ARG 393 Ca -0.04 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.76 2qua n ARG 393 Cb 0.76 0.00 0.26 0.00 -1.02 0.00 0.00 32.46 32.46 2qua n ARG 393 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2qua s ASP 394 N -4.00 0.81 0.00 0.55 1.11 -1.26 -3.63 116.67 110.25 2qua s ASP 394 Ca 0.00 1.48 0.00 0.00 0.18 0.00 0.00 52.55 54.21 2qua s ASP 394 Cb 0.00 -2.29 0.00 0.00 1.07 0.00 0.00 42.92 41.70 2qua s ASP 394 CO 0.00 -4.30 0.00 0.61 1.18 0.00 0.00 175.17 172.66 2qua n GLY 395 N 0.84 -1.03 3.52 0.21 0.00 -1.22 -4.01 105.19 103.51 2qua n GLY 395 Ca 0.02 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 2qua n GLY 395 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qua s ASP 396 N -2.94 6.34 0.08 1.61 1.01 -1.26 -4.24 116.67 117.27 2qua s ASP 396 Ca 0.00 -0.35 0.04 0.00 0.71 0.00 0.00 52.55 52.95 2qua s ASP 396 Cb 0.00 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 2qua s ASP 396 CO 0.00 -1.23 0.01 -1.81 0.21 0.00 0.00 175.17 172.35 2qua s ASP 397 N 2.86 5.11 -0.11 0.27 1.01 -1.22 -3.62 116.67 120.97 2qua s ASP 397 Ca 0.31 -0.13 0.04 0.00 0.71 0.00 0.00 52.55 53.47 2qua s ASP 397 Cb -0.12 -1.26 0.00 0.00 1.01 0.00 0.00 42.92 42.55 2qua s ASP 397 CO 0.19 0.19 -0.23 -0.63 0.21 0.00 0.00 175.17 174.90 2qua s ILE 398 N -1.29 2.00 -0.02 0.77 1.01 0.06 -0.30 121.20 123.43 2qua s ILE 398 Ca 0.25 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.95 2qua s ILE 398 Cb -0.12 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 2qua s ILE 398 CO 0.18 0.54 -0.07 -0.36 0.00 0.00 0.00 174.94 175.23 2qua s PHE 399 N 0.48 2.90 0.16 3.97 0.08 0.12 -1.04 117.98 124.65 2qua s PHE 399 Ca -0.16 -0.02 0.08 0.00 0.12 0.00 0.00 56.93 56.95 2qua s PHE 399 Cb -0.17 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2qua s PHE 399 CO 0.06 0.36 -0.18 1.03 -0.10 0.00 0.00 175.22 176.39 2qua s ARG 400 N -1.21 1.25 -0.22 0.44 0.52 -0.41 0.42 118.95 119.74 2qua s ARG 400 Ca 0.15 -1.40 -0.17 0.00 -0.52 0.00 0.00 55.73 53.79 2qua s ARG 400 Cb -0.11 -1.28 0.06 0.00 0.52 0.00 0.00 34.95 34.14 2qua s ARG 400 CO 0.05 0.25 0.56 0.34 0.02 0.00 0.00 175.30 176.53 2qua s ASP 401 N -2.69 -0.64 0.00 0.23 2.15 -1.26 -1.11 116.67 113.35 2qua s ASP 401 Ca 0.15 1.16 0.26 0.00 0.43 0.00 0.00 52.55 54.56 2qua s ASP 401 Cb -0.05 1.13 0.63 0.00 -0.30 0.00 0.00 42.92 44.33 2qua s ASP 401 CO 0.06 -0.20 1.49 0.00 -0.17 0.00 0.00 175.17 176.35 2qua n ALA 402 N 3.32 3.33 0.00 3.66 0.00 -0.52 -4.94 120.51 125.37 2qua n ALA 402 Ca -0.17 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2qua n ALA 402 Cb 0.56 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2qua n ALA 402 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qua n GLY 403 N 1.44 -0.83 7.00 0.00 0.00 -1.02 -4.58 105.19 107.20 2qua n GLY 403 Ca 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2qua n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qua n GLY 404 N 0.00 -0.17 3.15 -0.02 0.00 -1.11 -4.27 105.19 102.77 2qua n GLY 404 Ca 0.00 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 2qua n GLY 404 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qua s TYR 405 N 0.00 2.66 0.02 1.61 2.02 -1.26 -2.69 117.35 119.71 2qua s TYR 405 Ca 0.00 -1.39 -0.00 0.00 -0.37 0.00 0.00 57.07 55.31 2qua s TYR 405 Cb 0.00 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.72 2qua s TYR 405 CO 0.00 -0.65 -0.03 -0.80 -1.57 0.00 0.00 175.55 172.50 2qua s ASN 406 N 0.92 0.28 -0.04 2.29 0.01 -0.24 -3.07 114.94 115.08 2qua s ASN 406 Ca -0.05 -0.55 0.07 0.00 -0.71 0.00 0.00 52.86 51.63 2qua s ASN 406 Cb -0.15 0.11 -0.02 0.00 0.41 0.00 0.00 41.25 41.60 2qua s ASN 406 CO -0.04 -0.32 -0.24 -0.76 -1.51 0.00 0.00 177.10 174.22 2qua s LEU 407 N -1.59 2.14 -0.06 0.60 1.43 -0.52 -1.01 118.68 119.67 2qua s LEU 407 Ca -0.14 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 2qua s LEU 407 Cb -0.08 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.78 2qua s LEU 407 CO -0.02 0.30 -0.05 -0.63 0.23 0.00 0.00 176.35 176.18 2qua s ILE 408 N -0.48 0.64 -0.48 -0.59 1.01 0.71 -0.96 121.20 121.05 2qua s ILE 408 Ca 0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 2qua s ILE 408 Cb -0.11 -0.68 0.13 0.00 0.01 0.00 0.00 42.46 41.81 2qua s ILE 408 CO 0.01 0.27 0.31 0.00 0.00 0.00 0.00 174.94 175.52 2qua s ALA 409 N 1.22 3.34 0.48 9.38 0.00 0.49 -0.67 121.76 135.99 2qua s ALA 409 Ca -0.06 -2.71 0.18 0.00 0.00 0.00 0.00 51.96 49.37 2qua s ALA 409 Cb -0.14 -2.61 1.20 0.00 0.00 0.00 0.00 23.12 21.57 2qua s ALA 409 CO -0.02 -1.91 2.02 0.78 0.00 0.00 0.00 175.76 176.64 2qua h GLY 410 N 7.94 0.26 0.00 0.00 0.00 -1.40 0.13 103.07 110.00 2qua h GLY 410 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2qua h GLY 410 CO 0.75 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.95 2qua n GLY 411 N -1.56 -0.05 3.59 4.60 0.00 -1.26 -3.92 105.19 106.58 2qua n GLY 411 Ca 0.07 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 2qua n GLY 411 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qua s LYS 412 N 0.00 -0.06 0.17 1.61 1.02 -1.24 -4.85 119.74 116.40 2qua s LYS 412 Ca 0.00 0.89 0.00 0.00 0.02 0.00 0.00 55.97 56.88 2qua s LYS 412 Cb 0.00 -1.65 0.00 0.00 -0.52 0.00 0.00 37.83 35.66 2qua s LYS 412 CO 0.00 -3.16 0.00 0.41 -0.92 0.00 0.00 175.35 171.68 2qua n GLY 413 N 0.06 -2.53 3.41 -3.33 0.00 -1.26 -3.92 105.19 97.62 2qua n GLY 413 Ca 0.05 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.71 2qua n GLY 413 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qua s HIS 414 N -0.36 3.19 -0.04 1.61 2.46 -1.26 -4.93 115.29 115.96 2qua s HIS 414 Ca 0.00 -0.79 0.01 0.00 0.47 0.00 0.00 55.06 54.74 2qua s HIS 414 Cb 0.00 -3.22 -0.03 0.00 -0.13 0.00 0.00 32.58 29.19 2qua s HIS 414 CO 0.00 -0.84 -0.03 -0.80 -2.47 0.00 0.00 174.74 170.59 2qua s ASN 415 N 2.55 4.91 -0.05 9.88 0.01 -1.26 -3.42 114.94 127.56 2qua s ASN 415 Ca 0.07 0.00 0.05 0.00 -0.71 0.00 0.00 52.86 52.28 2qua s ASN 415 Cb -0.22 -1.27 -0.02 0.00 0.41 0.00 0.00 41.25 40.14 2qua s ASN 415 CO 0.08 0.33 -0.21 -0.63 -1.51 0.00 0.00 177.10 175.17 2qua s ILE 416 N -0.93 2.44 -0.21 0.60 1.01 0.59 -1.28 121.20 123.42 2qua s ILE 416 Ca 0.15 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 2qua s ILE 416 Cb -0.11 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 2qua s ILE 416 CO 0.05 0.57 0.04 0.12 0.00 0.00 0.00 174.94 175.72 2qua s PHE 417 N -0.40 3.10 -0.33 3.97 5.36 -0.51 -0.70 117.98 128.46 2qua s PHE 417 Ca 0.04 -0.32 -0.07 0.00 -0.96 0.00 0.00 56.93 55.62 2qua s PHE 417 Cb -0.12 -2.13 0.03 0.00 -0.34 0.00 0.00 43.02 40.46 2qua s PHE 417 CO 0.02 -0.19 0.10 0.34 -1.46 0.00 0.00 175.22 174.03 2qua s ASP 418 N 1.05 5.28 0.43 6.13 2.15 0.17 -0.37 116.67 131.51 2qua s ASP 418 Ca 0.03 -1.04 0.23 0.00 0.43 0.00 0.00 52.55 52.20 2qua s ASP 418 Cb -0.14 -1.88 0.38 0.00 -0.30 0.00 0.00 42.92 40.98 2qua s ASP 418 CO 0.02 -0.30 1.62 0.71 -0.17 0.00 0.00 175.17 177.05 2qua h THR 419 N 6.10 0.07 -0.29 1.71 1.35 -1.06 -3.40 112.91 117.39 2qua h THR 419 Ca -0.25 -1.07 -0.13 0.00 -0.55 0.00 0.00 66.41 64.41 2qua h THR 419 Cb 1.09 2.01 -0.05 0.00 -1.73 0.00 0.00 68.15 69.47 2qua h THR 419 CO 0.60 0.04 -0.11 0.00 -0.25 0.00 0.00 175.52 175.80 2qua n GLN 420 N -3.11 -1.01 -3.85 4.72 6.02 -1.26 -4.94 117.38 113.94 2qua n GLN 420 Ca 0.04 0.61 -0.10 0.00 -0.01 0.00 0.00 57.00 57.54 2qua n GLN 420 Cb 0.53 -4.56 0.02 0.00 1.02 0.00 0.00 30.24 27.25 2qua n GLN 420 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2qua s GLN 421 N -2.11 2.21 0.24 -1.09 -2.07 -1.26 -4.64 119.66 110.95 2qua s GLN 421 Ca 0.00 -1.52 -0.31 0.00 -1.82 0.00 0.00 55.36 51.71 2qua s GLN 421 Cb 0.00 0.60 -0.13 0.00 -1.09 0.00 0.00 33.01 32.39 2qua s GLN 421 CO 0.00 -1.02 1.44 0.00 -1.32 0.00 0.00 175.29 174.39 2qua n ALA 422 N -0.54 1.31 -0.09 2.60 0.00 -0.26 -1.31 120.51 122.21 2qua n ALA 422 Ca -0.07 0.41 0.06 0.00 0.00 0.00 0.00 53.44 53.84 2qua n ALA 422 Cb 0.60 -2.30 0.40 0.00 0.00 0.00 0.00 19.45 18.15 2qua n ALA 422 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2qua h LEU 423 N 4.38 0.55 -2.31 0.00 5.85 -1.94 -1.81 115.31 120.04 2qua h LEU 423 Ca -0.45 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.28 2qua h LEU 423 Cb 1.27 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2qua h LEU 423 CO 0.77 0.38 0.23 0.07 -0.34 0.00 0.00 178.44 179.54 2qua h LYS 424 N 0.64 0.00 -0.01 1.25 2.10 -1.98 -1.27 116.57 117.29 2qua h LYS 424 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 2qua h LYS 424 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2qua h LYS 424 CO -0.06 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.48 2qua n ASN 425 N -3.20 0.35 -3.95 7.07 3.02 -0.68 -4.78 115.26 113.10 2qua n ASN 425 Ca -0.01 -1.22 -0.22 0.00 -0.03 0.00 0.00 54.58 53.10 2qua n ASN 425 Cb 0.30 -0.01 -0.16 0.00 -0.61 0.00 0.00 39.78 39.30 2qua n ASN 425 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qua s THR 426 N -1.99 0.76 -0.02 3.41 2.01 -0.48 -3.96 115.64 115.38 2qua s THR 426 Ca 0.41 -0.27 -0.28 0.00 0.31 0.00 0.00 61.69 61.86 2qua s THR 426 Cb 0.19 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 2qua s THR 426 CO 0.32 0.27 0.88 -1.61 -0.69 0.00 0.00 174.62 173.80 2qua s GLU 427 N 0.76 4.52 -0.10 4.92 2.02 -0.43 -4.91 118.70 125.47 2qua s GLU 427 Ca -0.12 1.23 0.02 0.00 0.02 0.00 0.00 54.97 56.12 2qua s GLU 427 Cb -0.15 -3.46 0.01 0.00 0.10 0.00 0.00 34.13 30.64 2qua s GLU 427 CO 0.02 -0.01 -0.16 0.08 0.02 0.00 0.00 175.26 175.21 2qua s VAL 428 N 0.94 1.51 0.30 2.63 1.01 -1.26 -1.27 120.40 124.26 2qua s VAL 428 Ca 0.47 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2qua s VAL 428 Cb -0.20 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2qua s VAL 428 CO 0.25 0.44 0.18 0.00 0.00 0.00 0.00 175.10 175.97 2qua s ALA 429 N 0.86 1.87 -0.19 5.51 0.00 -0.11 -4.61 121.76 125.09 2qua s ALA 429 Ca -0.09 -1.79 -0.17 0.00 0.00 0.00 0.00 51.96 49.91 2qua s ALA 429 Cb -0.15 1.24 0.05 0.00 0.00 0.00 0.00 23.12 24.26 2qua s ALA 429 CO 0.00 -0.54 0.51 -0.47 0.00 0.00 0.00 175.76 175.26 2qua s TYR 430 N -3.63 -0.59 -1.79 0.00 5.04 -1.26 -0.23 117.35 114.88 2qua s TYR 430 Ca 0.37 1.41 0.20 0.00 -2.44 0.00 0.00 57.07 56.60 2qua s TYR 430 Cb 0.05 0.22 0.52 0.00 0.35 0.00 0.00 41.96 43.11 2qua s TYR 430 CO 0.19 -0.29 1.44 -0.40 -1.34 0.00 0.00 175.55 175.14 2qua n ASP 431 N 3.05 3.61 0.00 4.32 5.68 -0.41 -4.90 116.55 127.90 2qua n ASP 431 Ca -0.15 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 2qua n ASP 431 Cb 0.56 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 2qua n ASP 431 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qua n GLY 432 N 1.35 2.47 0.11 6.12 0.00 -1.26 -4.79 105.19 109.20 2qua n GLY 432 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2qua n GLY 432 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qua n ASN 433 N 0.00 0.00 -4.46 1.61 5.15 -1.26 -4.96 115.26 111.33 2qua n ASN 433 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 2qua n ASN 433 Cb 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.12 2qua n ASN 433 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2qua s THR 434 N -1.06 3.51 -0.08 -0.44 2.01 -1.26 -3.90 115.64 114.42 2qua s THR 434 Ca 0.00 -0.51 -0.19 0.00 0.31 0.00 0.00 61.69 61.30 2qua s THR 434 Cb 0.00 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 2qua s THR 434 CO 0.00 0.53 0.52 -0.22 -0.69 0.00 0.00 174.62 174.75 2qua s LEU 435 N 0.13 4.32 -0.17 4.42 2.96 -0.29 -1.29 118.68 128.75 2qua s LEU 435 Ca -0.04 0.93 -0.02 0.00 -0.22 0.00 0.00 54.13 54.78 2qua s LEU 435 Cb -0.14 -2.77 -0.01 0.00 0.50 0.00 0.00 46.19 43.77 2qua s LEU 435 CO 0.04 0.03 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.69 2qua s TYR 436 N 0.37 2.87 -0.11 5.38 2.02 0.68 -0.89 117.35 127.66 2qua s TYR 436 Ca 0.28 -0.84 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 2qua s TYR 436 Cb -0.16 -1.96 0.02 0.00 -0.40 0.00 0.00 41.96 39.46 2qua s TYR 436 CO 0.13 -0.39 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.07 2qua s LEU 437 N 0.87 1.61 -0.15 -1.29 1.43 -0.12 -0.93 118.68 120.09 2qua s LEU 437 Ca -0.03 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2qua s LEU 437 Cb -0.15 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.03 2qua s LEU 437 CO 0.00 -0.02 -0.17 -0.60 0.23 0.00 0.00 176.35 175.79 2qua s ARG 438 N 1.20 3.15 0.89 1.70 3.52 -0.39 -0.36 118.95 128.65 2qua s ARG 438 Ca -0.03 -0.78 -0.11 0.00 -0.13 0.00 0.00 55.73 54.69 2qua s ARG 438 Cb -0.14 -2.58 0.18 0.00 -1.56 0.00 0.00 34.95 30.85 2qua s ARG 438 CO -0.04 -0.01 1.22 0.16 -0.81 0.00 0.00 175.30 175.81 2qua s ASP 439 N 0.87 3.47 0.41 -2.12 1.47 -0.10 -1.31 116.67 119.36 2qua s ASP 439 Ca -0.05 0.01 0.29 0.00 1.18 0.00 0.00 52.55 53.98 2qua s ASP 439 Cb -0.15 -0.14 1.38 0.00 -0.34 0.00 0.00 42.92 43.67 2qua s ASP 439 CO -0.02 -2.48 1.87 0.00 0.68 0.00 0.00 175.17 175.23 2qua h ALA 440 N -1.28 1.00 -0.60 2.11 0.00 -1.90 -0.88 119.26 117.70 2qua h ALA 440 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2qua h ALA 440 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2qua h ALA 440 CO 0.37 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.25 2qua n LYS 441 N -2.56 2.66 -0.31 0.00 5.02 -1.26 -4.95 118.16 116.76 2qua n LYS 441 Ca -0.00 -2.49 0.00 0.00 -2.02 0.00 0.00 58.31 53.79 2qua n LYS 441 Cb 0.15 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 2qua n LYS 441 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qua n GLY 442 N 1.49 1.26 3.76 0.72 0.00 -0.34 -5.04 105.19 107.05 2qua n GLY 442 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2qua n GLY 442 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qua s GLY 443 N -1.79 2.50 -0.08 -0.02 0.00 -1.26 -4.72 107.32 101.96 2qua s GLY 443 Ca 0.00 1.55 0.05 0.00 0.00 0.00 0.00 44.72 46.32 2qua s GLY 443 CO 0.00 2.39 -0.24 -0.42 0.00 0.00 0.00 173.10 174.83 2qua s ILE 444 N -0.51 2.00 -0.14 0.90 1.01 -1.10 -0.92 121.20 122.45 2qua s ILE 444 Ca 0.58 -1.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 2qua s ILE 444 Cb -0.47 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 2qua s ILE 444 CO 0.54 0.55 -0.13 -0.89 0.00 0.00 0.00 174.94 175.02 2qua s THR 445 N 0.11 3.05 -0.23 2.92 2.01 0.51 -1.08 115.64 122.93 2qua s THR 445 Ca -0.11 -0.66 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 2qua s THR 445 Cb -0.16 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 2qua s THR 445 CO 0.06 0.52 0.10 -0.76 -0.69 0.00 0.00 174.62 173.85 2qua s LEU 446 N 0.43 3.74 -0.15 4.42 1.02 -0.18 -0.95 118.68 127.02 2qua s LEU 446 Ca -0.10 -0.04 -0.01 0.00 0.02 0.00 0.00 54.13 54.01 2qua s LEU 446 Cb -0.16 -1.99 0.04 0.00 0.02 0.00 0.00 46.19 44.10 2qua s LEU 446 CO 0.05 0.05 -0.03 0.00 0.02 0.00 0.00 176.35 176.43 2qua s ALA 447 N 1.14 1.30 0.25 4.21 0.00 -0.07 -0.21 121.76 128.39 2qua s ALA 447 Ca 0.05 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.22 2qua s ALA 447 Cb -0.14 -1.07 -0.07 0.00 0.00 0.00 0.00 23.12 21.84 2qua s ALA 447 CO 0.04 -0.77 0.57 -0.51 0.00 0.00 0.00 175.76 175.08 2qua s ASP 448 N 1.71 6.59 -1.48 0.00 1.01 0.15 -1.14 116.67 123.52 2qua s ASP 448 Ca 0.01 0.90 -0.07 0.00 0.71 0.00 0.00 52.55 54.10 2qua s ASP 448 Cb -0.15 -2.22 0.02 0.00 1.01 0.00 0.00 42.92 41.58 2qua s ASP 448 CO -0.07 -0.12 0.79 0.47 0.21 0.00 0.00 175.17 176.44 2qua n ASP 449 N -0.37 -5.83 -4.57 0.27 8.00 -1.25 -1.18 116.55 111.63 2qua n ASP 449 Ca 0.00 -0.41 -0.40 0.00 0.71 0.00 0.00 54.79 54.69 2qua n ASP 449 Cb 0.53 -4.67 -0.09 0.00 -0.02 0.00 0.00 41.12 36.86 2qua n ASP 449 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qua s ILE 450 N -3.20 5.18 -0.10 0.53 -1.09 -1.26 -4.17 121.20 117.08 2qua s ILE 450 Ca 0.43 0.20 0.16 0.00 -2.23 0.00 0.00 60.65 59.21 2qua s ILE 450 Cb -0.20 -3.76 -0.16 0.00 -1.58 0.00 0.00 42.46 36.77 2qua s ILE 450 CO 0.53 0.01 0.79 -1.20 -1.23 0.00 0.00 174.94 173.84 2qua n SER 451 N 5.34 0.88 -3.92 3.58 7.64 -0.40 -4.72 113.62 122.01 2qua n SER 451 Ca -0.09 0.39 -0.21 0.00 1.01 0.00 0.00 58.87 59.97 2qua n SER 451 Cb 0.50 0.09 -0.16 0.00 -1.01 0.00 0.00 64.21 63.62 2qua n SER 451 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2qua s THR 452 N -2.85 0.65 -0.29 0.44 2.01 -1.10 -0.61 115.64 113.89 2qua s THR 452 Ca -0.03 -0.20 -0.10 0.00 0.31 0.00 0.00 61.69 61.67 2qua s THR 452 Cb 0.08 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 2qua s THR 452 CO 0.81 0.25 0.17 -0.22 -0.69 0.00 0.00 174.62 174.94 2qua s LEU 453 N 0.82 4.05 -0.17 4.42 2.96 0.10 -1.42 118.68 129.43 2qua s LEU 453 Ca -0.12 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 2qua s LEU 453 Cb -0.15 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2qua s LEU 453 CO 0.01 -0.12 0.04 -0.60 -1.32 0.00 0.00 176.35 174.36 2qua s ARG 454 N 1.70 3.87 0.41 1.98 3.52 0.50 -0.52 118.95 130.40 2qua s ARG 454 Ca 0.06 -0.37 0.06 0.00 -0.13 0.00 0.00 55.73 55.35 2qua s ARG 454 Cb -0.16 -3.14 -0.07 0.00 -1.56 0.00 0.00 34.95 30.02 2qua s ARG 454 CO 0.09 0.30 0.02 -1.54 -0.81 0.00 0.00 175.30 173.35 2qua s SER 455 N 0.27 3.69 -0.15 -2.12 1.04 -0.28 -0.48 113.70 115.67 2qua s SER 455 Ca 0.02 -1.41 0.01 0.00 0.48 0.00 0.00 55.95 55.05 2qua s SER 455 Cb -0.13 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.77 2qua s SER 455 CO 0.01 -0.52 -0.16 -0.75 0.98 0.00 0.00 173.24 172.80 2qua s LYS 456 N -3.75 2.44 0.38 4.02 2.20 -0.43 -1.13 119.74 123.47 2qua s LYS 456 Ca 0.32 -0.62 0.08 0.00 -0.36 0.00 0.00 55.97 55.39 2qua s LYS 456 Cb 0.09 -2.18 -0.06 0.00 -1.51 0.00 0.00 37.83 34.17 2qua s LYS 456 CO 0.16 -0.21 0.10 -1.21 -0.36 0.00 0.00 175.35 173.83 2qua s GLU 457 N 1.38 2.15 0.08 4.03 0.41 0.10 -1.10 118.70 125.75 2qua s GLU 457 Ca 0.03 -1.83 -0.10 0.00 -0.41 0.00 0.00 54.97 52.66 2qua s GLU 457 Cb -0.13 -1.93 0.00 0.00 -1.78 0.00 0.00 34.13 30.30 2qua s GLU 457 CO -0.10 -0.01 0.22 0.99 -0.49 0.00 0.00 175.26 175.87 2qua s THR 458 N -2.58 0.13 0.27 3.63 2.01 -1.26 -1.74 115.64 116.10 2qua s THR 458 Ca 0.38 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 61.38 2qua s THR 458 Cb 0.03 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 2qua s THR 458 CO 0.21 -0.58 0.19 -1.54 -0.69 0.00 0.00 174.62 172.21 2qua n SER 459 N 0.05 -0.11 0.00 3.53 3.41 0.14 -4.99 113.62 115.65 2qua n SER 459 Ca -0.16 -2.69 0.08 0.00 -0.26 0.00 0.00 58.87 55.85 2qua n SER 459 Cb 0.62 1.17 0.43 0.00 -0.26 0.00 0.00 64.21 66.17 2qua n SER 459 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 2qua n TRP 460 N -0.55 0.00 -0.03 7.33 4.27 -1.26 -3.63 117.44 123.58 2qua n TRP 460 Ca 0.03 0.00 -0.05 0.00 -3.89 0.00 0.00 57.50 53.60 2qua n TRP 460 Cb 0.47 -0.26 -0.02 0.00 -1.36 0.00 0.00 31.31 30.13 2qua n TRP 460 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2qua n LEU 461 N -1.26 2.29 -4.04 5.67 7.94 -1.26 -5.01 117.00 121.33 2qua n LEU 461 Ca 0.08 -0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.73 2qua n LEU 461 Cb 0.13 -0.19 -0.17 0.00 0.53 0.00 0.00 43.42 43.72 2qua n LEU 461 CO 0.13 0.47 -0.48 -0.63 -1.11 0.00 0.00 177.39 175.77 2qua s ILE 462 N -2.11 1.23 -1.17 1.96 -1.09 -1.24 -5.06 121.20 113.72 2qua s ILE 462 Ca -0.08 -0.52 0.16 0.00 -2.23 0.00 0.00 60.65 57.98 2qua s ILE 462 Cb 0.02 -1.12 -0.07 0.00 -1.58 0.00 0.00 42.46 39.72 2qua s ILE 462 CO 0.12 0.38 0.77 0.49 -1.23 0.00 0.00 174.94 175.47 2qua n PHE 463 N 3.88 0.00 -2.55 3.97 3.72 -1.26 0.27 117.46 125.49 2qua n PHE 463 Ca -0.22 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.20 2qua n PHE 463 Cb 0.52 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.10 2qua n PHE 463 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2qua n ASN 464 N -0.61 1.32 -4.68 4.37 3.02 -1.25 -4.56 115.26 112.87 2qua n ASN 464 Ca 0.05 -2.15 -0.42 0.00 -0.03 0.00 0.00 54.58 52.03 2qua n ASN 464 Cb 0.30 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 2qua n ASN 464 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2qua s LYS 465 N -1.47 4.16 0.10 3.52 2.20 -0.71 -4.72 119.74 122.81 2qua s LYS 465 Ca 0.32 2.51 -0.25 0.00 -0.36 0.00 0.00 55.97 58.19 2qua s LYS 465 Cb 0.37 -3.73 -0.06 0.00 -1.51 0.00 0.00 37.83 32.89 2qua s LYS 465 CO -0.12 -0.84 0.78 -1.21 -0.36 0.00 0.00 175.35 173.61 2qua s GLU 466 N 3.14 4.54 -0.08 4.03 2.02 -1.26 0.03 118.70 131.12 2qua s GLU 466 Ca 0.80 1.13 0.00 0.00 0.02 0.00 0.00 54.97 56.93 2qua s GLU 466 Cb -0.43 -3.32 0.02 0.00 0.10 0.00 0.00 34.13 30.50 2qua s GLU 466 CO 0.36 0.39 -0.07 0.08 0.02 0.00 0.00 175.26 176.04 2qua s VAL 467 N -0.47 0.83 -0.03 2.63 1.01 -0.28 -4.95 120.40 119.14 2qua s VAL 467 Ca 0.38 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 2qua s VAL 467 Cb -0.22 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 2qua s VAL 467 CO 0.25 0.31 0.25 -1.81 0.00 0.00 0.00 175.10 174.10 2qua s ASP 468 N 1.32 6.51 -0.19 3.32 1.01 -1.26 -1.13 116.67 126.25 2qua s ASP 468 Ca -0.03 0.59 -0.00 0.00 0.71 0.00 0.00 52.55 53.82 2qua s ASP 468 Cb -0.14 -2.11 0.05 0.00 1.01 0.00 0.00 42.92 41.73 2qua s ASP 468 CO -0.03 0.31 -0.06 -1.00 0.21 0.00 0.00 175.17 174.60 2qua s HIS 469 N -1.19 1.91 0.13 4.23 3.76 0.32 -4.66 115.29 119.78 2qua s HIS 469 Ca 0.23 -1.28 -0.31 0.00 -0.15 0.00 0.00 55.06 53.55 2qua s HIS 469 Cb -0.13 -1.40 -0.08 0.00 1.11 0.00 0.00 32.58 32.07 2qua s HIS 469 CO 0.12 -0.67 1.41 -1.14 -0.85 0.00 0.00 174.74 173.61 2qua s GLN 470 N 1.56 4.31 -0.48 1.40 0.74 0.67 -0.72 119.66 127.15 2qua s GLN 470 Ca -0.01 2.11 -0.26 0.00 0.05 0.00 0.00 55.36 57.25 2qua s GLN 470 Cb -0.16 -3.23 0.03 0.00 1.10 0.00 0.00 33.01 30.74 2qua s GLN 470 CO -0.08 -0.45 0.97 0.08 -0.55 0.00 0.00 175.29 175.26 2qua s VAL 471 N 1.05 4.41 0.36 1.34 1.01 0.22 -0.52 120.40 128.27 2qua s VAL 471 Ca 0.65 0.78 0.07 0.00 0.00 0.00 0.00 61.98 63.48 2qua s VAL 471 Cb -0.38 -4.48 -0.07 0.00 0.00 0.00 0.00 36.38 31.45 2qua s VAL 471 CO 0.31 -0.90 -0.03 0.42 0.00 0.00 0.00 175.10 174.89 2qua s THR 472 N 3.92 1.95 0.42 3.92 -4.23 -0.90 -4.91 115.64 115.80 2qua s THR 472 Ca 0.38 -2.09 0.12 0.00 -1.18 0.00 0.00 61.69 58.92 2qua s THR 472 Cb -0.10 -2.78 0.17 0.00 1.34 0.00 0.00 72.50 71.14 2qua s THR 472 CO 0.27 -0.11 1.95 0.00 -0.54 0.00 0.00 174.62 176.19 2qua h ALA 473 N 1.97 1.60 -0.00 3.99 0.00 -1.95 -2.69 119.26 122.18 2qua h ALA 473 Ca -0.42 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2qua h ALA 473 Cb 1.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2qua h ALA 473 CO 0.74 0.29 -0.16 0.00 0.00 0.00 0.00 179.25 180.12 2qua n ALA 474 N -2.50 2.74 0.00 0.00 0.00 -1.26 -4.96 120.51 114.53 2qua n ALA 474 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2qua n ALA 474 Cb 0.25 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2qua n ALA 474 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qua n GLY 475 N 1.49 1.00 3.68 0.00 0.00 -1.01 -4.29 105.19 106.06 2qua n GLY 475 Ca 0.07 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 2qua n GLY 475 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qua s LEU 476 N 0.00 4.20 -0.22 0.99 1.43 0.15 -2.12 118.68 123.10 2qua s LEU 476 Ca 0.00 1.43 -0.07 0.00 -1.03 0.00 0.00 54.13 54.47 2qua s LEU 476 Cb 0.00 -3.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 2qua s LEU 476 CO 0.00 -0.49 0.05 -0.75 0.23 0.00 0.00 176.35 175.38 2qua s LYS 477 N 2.33 3.70 0.31 1.70 2.20 0.32 -1.17 119.74 129.13 2qua s LYS 477 Ca 0.46 -0.47 0.06 0.00 -0.36 0.00 0.00 55.97 55.65 2qua s LYS 477 Cb -0.17 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 2qua s LYS 477 CO 0.14 -0.04 0.20 0.45 -0.36 0.00 0.00 175.35 175.74 2qua n SER 478 N 4.46 0.03 0.26 1.43 2.88 -0.39 -0.23 113.62 122.05 2qua n SER 478 Ca -0.16 -2.88 0.08 0.00 -1.33 0.00 0.00 58.87 54.58 2qua n SER 478 Cb 0.52 1.24 0.65 0.00 -0.75 0.00 0.00 64.21 65.87 2qua n SER 478 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2qua h ASP 479 N 1.63 0.00 1.31 -3.46 5.19 -1.98 -1.51 116.42 117.60 2qua h ASP 479 Ca -0.23 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 2qua h ASP 479 Cb 1.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.55 2qua h ASP 479 CO 0.34 0.02 0.00 0.77 -3.12 0.00 0.00 179.24 177.25 2qua h SER 480 N 0.00 0.00 0.00 6.45 4.64 -1.97 -3.49 113.55 119.17 2qua h SER 480 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qua h SER 480 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2qua h SER 480 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2qua n GLY 481 N 0.42 0.74 3.29 -0.77 0.00 -0.57 -5.03 105.19 103.27 2qua n GLY 481 Ca 0.02 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 2qua n GLY 481 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qua s LEU 482 N 0.00 5.02 -0.45 0.99 2.96 -1.26 -1.27 118.68 124.67 2qua s LEU 482 Ca 0.00 -1.38 -0.18 0.00 -0.22 0.00 0.00 54.13 52.34 2qua s LEU 482 Cb 0.00 -1.99 0.04 0.00 0.50 0.00 0.00 46.19 44.74 2qua s LEU 482 CO 0.00 -0.50 0.53 -0.75 -1.32 0.00 0.00 176.35 174.31 2qua s LYS 483 N 1.45 3.13 0.89 1.98 2.20 -0.32 -4.91 119.74 124.15 2qua s LYS 483 Ca 0.02 -0.78 -0.12 0.00 -0.36 0.00 0.00 55.97 54.74 2qua s LYS 483 Cb -0.22 -4.02 0.12 0.00 -1.51 0.00 0.00 37.83 32.21 2qua s LYS 483 CO 0.03 -1.01 1.11 0.00 -0.36 0.00 0.00 175.35 175.12 2qua s ALA 484 N 2.37 1.72 0.16 3.13 0.00 -1.26 -0.68 121.76 127.20 2qua s ALA 484 Ca 0.14 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 2qua s ALA 484 Cb -0.18 -3.11 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 2qua s ALA 484 CO 0.13 -2.22 0.51 0.71 0.00 0.00 0.00 175.76 174.89 2qua s TYR 485 N -3.11 3.54 -1.38 0.00 2.02 -1.26 -4.82 117.35 112.33 2qua s TYR 485 Ca 0.63 0.91 -0.10 0.00 -0.37 0.00 0.00 57.07 58.14 2qua s TYR 485 Cb -0.16 -2.27 0.09 0.00 -0.40 0.00 0.00 41.96 39.22 2qua s TYR 485 CO 0.55 0.40 2.20 0.00 -1.57 0.00 0.00 175.55 177.13 2qua n ALA 486 N 0.50 5.93 -3.02 3.71 0.00 -1.26 -4.90 120.51 121.47 2qua n ALA 486 Ca -0.04 -4.05 -0.11 0.00 0.00 0.00 0.00 53.44 49.24 2qua n ALA 486 Cb 0.52 -3.16 -0.11 0.00 0.00 0.00 0.00 19.45 16.70 2qua n ALA 486 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qua s ALA 487 N 1.19 -0.11 -0.23 0.00 0.00 -1.26 -0.03 121.76 121.30 2qua s ALA 487 Ca 0.48 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 2qua s ALA 487 Cb 0.13 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 2qua s ALA 487 CO -0.05 -0.15 0.17 0.00 0.00 0.00 0.00 175.76 175.74 2qua s ALA 488 N -1.06 3.62 -0.12 0.00 0.00 -0.77 -5.00 121.76 118.43 2qua s ALA 488 Ca -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2qua s ALA 488 Cb -0.07 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.75 2qua s ALA 488 CO 0.00 -0.16 -0.11 0.99 0.00 0.00 0.00 175.76 176.48 2qua s THR 489 N 0.99 1.25 0.20 0.00 2.01 -1.26 -1.32 115.64 117.50 2qua s THR 489 Ca 0.08 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 2qua s THR 489 Cb -0.13 -1.20 0.04 0.00 0.01 0.00 0.00 72.50 71.21 2qua s THR 489 CO 0.04 0.40 0.27 0.61 -0.69 0.00 0.00 174.62 175.25 2qua n GLY 490 N 4.69 0.33 0.00 4.40 0.00 0.79 -5.00 105.19 110.40 2qua n GLY 490 Ca -0.16 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2qua n GLY 490 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qua n GLY 491 N 3.00 5.53 0.31 -0.02 0.00 -1.25 -4.73 105.19 108.03 2qua n GLY 491 Ca 0.04 -1.57 0.19 0.00 0.00 0.00 0.00 46.02 44.68 2qua n GLY 491 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qua h ASP 492 N 0.00 0.00 -4.30 1.61 3.32 -1.87 -3.26 116.42 111.92 2qua h ASP 492 Ca 0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 2qua h ASP 492 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 2qua h ASP 492 CO 0.00 0.02 0.39 -0.83 -1.72 0.00 0.00 179.24 177.10 2qua s GLY 493 N -4.16 1.66 -0.93 2.75 0.00 -1.26 -3.58 107.32 101.81 2qua s GLY 493 Ca -0.03 -0.86 -0.23 0.00 0.00 0.00 0.00 44.72 43.59 2qua s GLY 493 CO 0.48 -0.24 1.34 0.99 0.00 0.00 0.00 173.10 175.67 2qua s ASP 494 N -4.61 6.43 0.13 1.64 1.01 -1.26 -4.40 116.67 115.61 2qua s ASP 494 Ca 0.67 -1.31 -0.14 0.00 0.71 0.00 0.00 52.55 52.49 2qua s ASP 494 Cb -0.09 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 2qua s ASP 494 CO 0.51 -1.51 0.52 -1.81 0.21 0.00 0.00 175.17 173.10 2qua s ASP 495 N 4.45 6.81 -0.33 0.27 1.01 -1.25 -4.89 116.67 122.73 2qua s ASP 495 Ca 0.40 1.03 -0.11 0.00 0.71 0.00 0.00 52.55 54.59 2qua s ASP 495 Cb -0.03 -2.27 -0.00 0.00 1.01 0.00 0.00 42.92 41.62 2qua s ASP 495 CO -0.04 0.13 0.19 -0.69 0.21 0.00 0.00 175.17 174.97 2qua s VAL 496 N -1.42 4.78 -0.29 -1.27 1.01 -1.26 -0.21 120.40 121.75 2qua s VAL 496 Ca 0.36 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 2qua s VAL 496 Cb -0.15 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.78 2qua s VAL 496 CO 0.19 -0.01 -0.00 -0.76 0.00 0.00 0.00 175.10 174.52 2qua s LEU 497 N 1.63 3.71 -0.22 3.92 1.43 0.15 -4.97 118.68 124.33 2qua s LEU 497 Ca 0.05 -1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 51.95 2qua s LEU 497 Cb -0.17 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 2qua s LEU 497 CO 0.07 -0.22 0.23 -1.58 0.23 0.00 0.00 176.35 175.09 2qua s GLN 498 N 1.31 4.12 0.20 1.70 0.74 -1.26 -0.46 119.66 126.01 2qua s GLN 498 Ca -0.02 -0.11 -0.30 0.00 0.05 0.00 0.00 55.36 54.97 2qua s GLN 498 Cb -0.18 -3.52 -0.09 0.00 1.10 0.00 0.00 33.01 30.31 2qua s GLN 498 CO -0.01 0.06 1.39 0.00 -0.55 0.00 0.00 175.29 176.18 2qua s ALA 499 N 1.04 3.59 0.63 1.58 0.00 -0.32 -4.96 121.76 123.32 2qua s ALA 499 Ca 0.11 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.29 2qua s ALA 499 Cb -0.14 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.54 2qua s ALA 499 CO 0.05 -0.64 0.87 1.03 0.00 0.00 0.00 175.76 177.07 2qua s ARG 500 N 0.15 2.13 0.20 0.00 0.52 -1.26 -4.75 118.95 115.94 2qua s ARG 500 Ca 0.60 -1.03 -0.12 0.00 -0.52 0.00 0.00 55.73 54.67 2qua s ARG 500 Cb -0.39 -2.44 0.23 0.00 0.52 0.00 0.00 34.95 32.88 2qua s ARG 500 CO 0.38 -1.05 1.70 0.77 0.02 0.00 0.00 175.30 177.11 2qua h SER 501 N -0.18 -0.08 -0.58 0.23 0.02 -2.03 -2.59 113.55 108.34 2qua h SER 501 Ca -0.38 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2qua h SER 501 Cb 1.28 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.99 2qua h SER 501 CO 0.45 -0.02 0.00 1.41 -1.14 0.00 0.00 176.83 177.54 2qua n HIS 502 N -5.16 0.78 -1.84 3.45 8.25 -1.26 -4.94 115.22 114.49 2qua n HIS 502 Ca 0.07 -0.49 -0.41 0.00 -0.26 0.00 0.00 57.72 56.63 2qua n HIS 502 Cb 0.29 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.37 2qua n HIS 502 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qua s ASP 503 N -1.02 6.43 0.00 0.41 1.01 -0.98 -4.79 116.67 117.74 2qua s ASP 503 Ca 0.39 2.93 0.04 0.00 0.71 0.00 0.00 52.55 56.62 2qua s ASP 503 Cb 0.21 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 2qua s ASP 503 CO 0.27 -0.84 0.25 0.00 0.21 0.00 0.00 175.17 175.05 2qua n ALA 504 N 1.50 2.51 -3.01 5.23 0.00 0.95 -4.89 120.51 122.80 2qua n ALA 504 Ca 0.05 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 2qua n ALA 504 Cb 0.39 -0.14 -0.13 0.00 0.00 0.00 0.00 19.45 19.57 2qua n ALA 504 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qua s TRP 505 N -1.20 -0.14 -0.15 0.00 0.52 -0.93 -1.18 118.94 115.86 2qua s TRP 505 Ca 0.02 0.35 0.01 0.00 0.02 0.00 0.00 56.10 56.50 2qua s TRP 505 Cb 0.03 0.05 0.02 0.00 -1.15 0.00 0.00 33.47 32.42 2qua s TRP 505 CO 0.14 -0.07 -0.17 -0.51 0.02 0.00 0.00 176.95 176.36 2qua s LEU 506 N 0.05 1.85 -0.31 2.99 1.43 -0.20 -1.84 118.68 122.65 2qua s LEU 506 Ca -0.00 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2qua s LEU 506 Cb -0.01 -1.28 0.06 0.00 0.03 0.00 0.00 46.19 45.00 2qua s LEU 506 CO 0.00 -0.02 0.01 -0.36 0.23 0.00 0.00 176.35 176.21 2qua s PHE 507 N 1.29 3.34 0.18 0.29 0.08 -0.43 -0.62 117.98 122.11 2qua s PHE 507 Ca 0.02 -2.09 0.01 0.00 0.12 0.00 0.00 56.93 54.99 2qua s PHE 507 Cb -0.13 -2.26 0.07 0.00 -0.57 0.00 0.00 43.02 40.13 2qua s PHE 507 CO -0.09 -0.85 1.44 0.78 -0.10 0.00 0.00 175.22 176.40 2qua h GLY 508 N 7.94 0.34 0.00 4.36 0.00 -1.33 0.22 103.07 114.61 2qua h GLY 508 Ca -0.19 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.64 2qua h GLY 508 CO 0.54 0.45 0.00 0.70 0.00 0.00 0.00 176.54 178.23 2qua n ASN 509 N -3.79 -0.79 -4.67 0.19 3.02 -1.18 -3.92 115.26 104.12 2qua n ASN 509 Ca -0.04 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.21 2qua n ASN 509 Cb 0.72 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 40.05 2qua n ASN 509 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qua s ALA 510 N -1.85 1.19 0.00 5.41 0.00 -1.23 -3.77 121.76 121.51 2qua s ALA 510 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.07 2qua s ALA 510 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2qua s ALA 510 CO 0.00 -2.70 0.00 0.41 0.00 0.00 0.00 175.76 173.47 2qua n GLY 511 N -0.43 -0.90 3.36 0.00 0.00 -1.23 -4.16 105.19 101.81 2qua n GLY 511 Ca 0.08 -1.67 -0.45 0.00 0.00 0.00 0.00 46.02 43.97 2qua n GLY 511 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qua s ASN 512 N -2.34 6.19 0.12 1.61 0.01 -1.26 -4.07 114.94 115.20 2qua s ASN 512 Ca 0.00 -1.51 0.03 0.00 -0.71 0.00 0.00 52.86 50.68 2qua s ASN 512 Cb 0.00 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.36 2qua s ASN 512 CO 0.00 -1.00 0.15 -1.81 -1.51 0.00 0.00 177.10 172.94 2qua s ASP 513 N 3.51 5.78 -0.24 -1.22 1.01 -1.25 -3.94 116.67 120.32 2qua s ASP 513 Ca 0.09 0.02 -0.02 0.00 0.71 0.00 0.00 52.55 53.34 2qua s ASP 513 Cb -0.26 -1.61 0.02 0.00 1.01 0.00 0.00 42.92 42.09 2qua s ASP 513 CO 0.06 0.11 -0.07 -0.89 0.21 0.00 0.00 175.17 174.59 2qua s THR 514 N -1.60 2.89 -0.24 -1.27 2.01 0.71 -0.32 115.64 117.82 2qua s THR 514 Ca 0.32 -0.96 -0.06 0.00 0.31 0.00 0.00 61.69 61.30 2qua s THR 514 Cb -0.11 -2.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 2qua s THR 514 CO 0.24 0.24 0.02 -0.76 -0.69 0.00 0.00 174.62 173.67 2qua s LEU 515 N 1.34 3.25 -0.17 4.42 1.02 0.06 0.34 118.68 128.94 2qua s LEU 515 Ca 0.01 -0.37 -0.01 0.00 0.02 0.00 0.00 54.13 53.78 2qua s LEU 515 Cb -0.16 -1.83 -0.01 0.00 0.02 0.00 0.00 46.19 44.21 2qua s LEU 515 CO -0.05 -0.05 -0.11 -0.63 0.02 0.00 0.00 176.35 175.53 2qua s ILE 516 N 1.53 2.98 0.17 -0.59 1.01 0.40 -0.42 121.20 126.28 2qua s ILE 516 Ca 0.05 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 2qua s ILE 516 Cb -0.15 -2.29 0.04 0.00 0.01 0.00 0.00 42.46 40.07 2qua s ILE 516 CO 0.00 0.49 0.23 0.61 0.00 0.00 0.00 174.94 176.27 2qua n GLY 517 N 4.12 -1.00 3.18 6.18 0.00 -0.12 -1.17 105.19 116.38 2qua n GLY 517 Ca -0.19 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 2qua n GLY 517 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2qua s HIS 518 N -1.40 0.97 0.33 1.61 -3.43 -1.26 -4.57 115.29 107.54 2qua s HIS 518 Ca 0.13 -1.08 0.11 0.00 -0.80 0.00 0.00 55.06 53.43 2qua s HIS 518 Cb -0.00 -0.56 0.94 0.00 -1.43 0.00 0.00 32.58 31.52 2qua s HIS 518 CO 0.09 -0.32 1.73 0.00 -2.00 0.00 0.00 174.74 174.24 2qua h ALA 519 N 2.85 1.87 0.00 -1.38 0.00 -1.97 -0.90 119.26 119.73 2qua h ALA 519 Ca -0.36 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2qua h ALA 519 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2qua h ALA 519 CO 0.62 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.93 2qua n GLY 520 N -1.33 -0.92 7.00 0.00 0.00 -1.26 -4.43 105.19 104.24 2qua n GLY 520 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2qua n GLY 520 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qua n GLY 521 N -0.25 1.84 3.55 -0.02 0.00 -0.34 -4.71 105.19 105.26 2qua n GLY 521 Ca 0.03 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 2qua n GLY 521 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qua n ASN 522 N -1.36 -4.51 -4.56 1.61 5.03 0.19 -4.89 115.26 106.78 2qua n ASN 522 Ca 0.00 -0.54 -0.31 0.00 0.87 0.00 0.00 54.58 54.59 2qua n ASN 522 Cb 0.00 -3.66 -0.11 0.00 -1.02 0.00 0.00 39.78 35.00 2qua n ASN 522 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2qua s LEU 523 N -6.85 3.00 -0.25 3.41 2.96 -1.25 -4.83 118.68 114.87 2qua s LEU 523 Ca 0.50 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 54.07 2qua s LEU 523 Cb -0.25 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 2qua s LEU 523 CO 0.62 0.25 0.05 -0.89 -1.32 0.00 0.00 176.35 175.06 2qua s THR 524 N -1.03 4.14 -0.25 3.68 2.01 -0.33 0.02 115.64 123.88 2qua s THR 524 Ca 0.18 -0.26 -0.13 0.00 0.31 0.00 0.00 61.69 61.79 2qua s THR 524 Cb -0.11 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2qua s THR 524 CO 0.08 0.34 0.28 -0.36 -0.69 0.00 0.00 174.62 174.27 2qua s PHE 525 N 1.59 3.29 -0.39 4.92 0.08 0.63 -1.04 117.98 127.06 2qua s PHE 525 Ca 0.06 0.33 0.02 0.00 0.12 0.00 0.00 56.93 57.47 2qua s PHE 525 Cb -0.15 -2.43 0.11 0.00 -0.57 0.00 0.00 43.02 39.98 2qua s PHE 525 CO 0.02 -0.08 0.15 0.08 -0.10 0.00 0.00 175.22 175.29 2qua s VAL 526 N 1.55 1.79 0.34 -0.44 1.01 0.21 -1.22 120.40 123.64 2qua s VAL 526 Ca 0.12 -2.35 0.16 0.00 0.00 0.00 0.00 61.98 59.91 2qua s VAL 526 Cb -0.15 -2.30 0.13 0.00 0.00 0.00 0.00 36.38 34.07 2qua s VAL 526 CO 0.08 -0.72 1.85 1.23 0.00 0.00 0.00 175.10 177.54 2qua h GLY 527 N 7.31 0.00 0.00 4.51 0.00 -1.80 -1.21 103.07 111.88 2qua h GLY 527 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2qua h GLY 527 CO 0.53 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.68 2qua n GLY 528 N -0.36 -1.37 3.61 4.60 0.00 -1.26 -3.09 105.19 107.31 2qua n GLY 528 Ca -0.02 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 2qua n GLY 528 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qua s SER 529 N -4.00 2.04 0.00 1.61 1.04 -1.25 -4.61 113.70 108.54 2qua s SER 529 Ca 0.00 1.38 0.00 0.00 0.48 0.00 0.00 55.95 57.81 2qua s SER 529 Cb 0.00 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.04 2qua s SER 529 CO 0.00 -3.52 0.00 0.61 0.98 0.00 0.00 173.24 171.31 2qua n GLY 530 N -0.31 -1.35 3.43 7.32 0.00 -1.26 -3.84 105.19 109.18 2qua n GLY 530 Ca 0.05 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 2qua n GLY 530 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qua s ASP 531 N -3.48 6.08 0.15 1.61 1.01 -1.26 -3.99 116.67 116.79 2qua s ASP 531 Ca 0.00 -1.01 0.07 0.00 0.71 0.00 0.00 52.55 52.32 2qua s ASP 531 Cb 0.00 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 2qua s ASP 531 CO 0.00 -0.49 -0.04 -1.81 0.21 0.00 0.00 175.17 173.04 2qua s ASP 532 N 1.88 4.63 -0.21 0.27 1.01 -1.24 -3.93 116.67 119.06 2qua s ASP 532 Ca 0.04 -0.40 -0.06 0.00 0.71 0.00 0.00 52.55 52.84 2qua s ASP 532 Cb -0.20 -0.95 -0.03 0.00 1.01 0.00 0.00 42.92 42.75 2qua s ASP 532 CO 0.09 0.12 0.04 -0.63 0.21 0.00 0.00 175.17 175.00 2qua s ILE 533 N -1.56 4.26 -0.29 0.77 1.01 0.57 -1.08 121.20 124.88 2qua s ILE 533 Ca 0.25 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.71 2qua s ILE 533 Cb -0.10 -2.95 0.06 0.00 0.01 0.00 0.00 42.46 39.49 2qua s ILE 533 CO 0.17 0.40 -0.05 -0.76 0.00 0.00 0.00 174.94 174.71 2qua s LEU 534 N 1.07 3.79 -0.78 2.97 1.43 0.39 -0.76 118.68 126.79 2qua s LEU 534 Ca 0.03 -1.46 -0.15 0.00 -1.03 0.00 0.00 54.13 51.53 2qua s LEU 534 Cb -0.14 -1.62 0.20 0.00 0.03 0.00 0.00 46.19 44.66 2qua s LEU 534 CO 0.02 -0.25 0.73 -0.54 0.23 0.00 0.00 176.35 176.55 2qua s LYS 535 N 1.13 3.50 0.20 1.70 1.02 0.43 -0.17 119.74 127.55 2qua s LYS 535 Ca -0.05 -2.31 -0.30 0.00 0.02 0.00 0.00 55.97 53.33 2qua s LYS 535 Cb -0.20 -4.42 -0.08 0.00 -0.52 0.00 0.00 37.83 32.61 2qua s LYS 535 CO -0.04 -1.31 1.17 0.20 -0.92 0.00 0.00 175.35 174.45 2qua s GLY 536 N 2.45 2.76 -0.03 -3.33 0.00 0.03 -0.94 107.32 108.25 2qua s GLY 536 Ca 0.16 0.93 0.03 0.00 0.00 0.00 0.00 44.72 45.83 2qua s GLY 536 CO -0.07 1.78 -0.11 0.14 0.00 0.00 0.00 173.10 174.84 2qua s VAL 537 N -0.24 0.95 0.00 1.40 1.01 -1.26 -4.31 120.40 117.95 2qua s VAL 537 Ca 0.51 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2qua s VAL 537 Cb -0.32 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2qua s VAL 537 CO 0.37 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.37 2qua n GLY 538 N 3.24 0.41 3.66 4.51 0.00 -1.26 -3.79 105.19 111.95 2qua n GLY 538 Ca -0.18 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 2qua n GLY 538 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qua s ASN 539 N -4.00 4.68 -0.61 1.61 0.01 -1.26 -4.72 114.94 110.64 2qua s ASN 539 Ca 0.00 -0.52 -0.00 0.00 -0.71 0.00 0.00 52.86 51.63 2qua s ASN 539 Cb 0.00 -0.94 0.00 0.00 0.41 0.00 0.00 41.25 40.72 2qua s ASN 539 CO 0.00 0.04 0.03 0.61 -1.51 0.00 0.00 177.10 176.26 2qua n GLY 540 N -0.59 0.09 3.84 0.66 0.00 -1.18 -0.63 105.19 107.38 2qua n GLY 540 Ca -0.08 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 2qua n GLY 540 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qua s ASN 541 N -2.70 6.84 -0.08 1.61 0.01 -1.26 -3.17 114.94 116.20 2qua s ASN 541 Ca 0.01 1.19 0.03 0.00 -0.71 0.00 0.00 52.86 53.38 2qua s ASN 541 Cb -0.01 -2.33 -0.02 0.00 0.41 0.00 0.00 41.25 39.31 2qua s ASN 541 CO 0.02 -0.01 -0.17 -0.89 -1.51 0.00 0.00 177.10 174.53 2qua s THR 542 N -1.66 2.77 -0.20 1.60 2.01 0.10 -1.22 115.64 119.05 2qua s THR 542 Ca 0.44 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 2qua s THR 542 Cb -0.14 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.28 2qua s THR 542 CO 0.20 0.56 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.23 2qua s PHE 543 N -0.23 2.89 -0.10 4.92 0.08 0.48 -0.27 117.98 125.75 2qua s PHE 543 Ca 0.00 -1.18 0.02 0.00 0.12 0.00 0.00 56.93 55.89 2qua s PHE 543 Cb -0.13 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.28 2qua s PHE 543 CO 0.03 -0.63 -0.17 -1.17 -0.10 0.00 0.00 175.22 173.18 2qua s LEU 544 N 1.37 2.49 -0.02 -0.37 2.96 -0.36 -1.01 118.68 123.74 2qua s LEU 544 Ca 0.05 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2qua s LEU 544 Cb -0.14 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.05 2qua s LEU 544 CO -0.06 0.21 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.81 2qua s PHE 545 N 0.07 0.30 -0.00 5.38 0.08 0.19 -4.35 117.98 119.65 2qua s PHE 545 Ca -0.07 -0.01 -0.02 0.00 0.12 0.00 0.00 56.93 56.95 2qua s PHE 545 Cb -0.15 -0.36 -0.00 0.00 -0.57 0.00 0.00 43.02 41.93 2qua s PHE 545 CO 0.05 -0.11 0.04 0.45 -0.10 0.00 0.00 175.22 175.55 2qua s SER 546 N 0.83 0.06 1.06 1.36 0.15 -1.26 -1.40 113.70 114.50 2qua s SER 546 Ca -0.08 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2qua s SER 546 Cb -0.12 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 2qua s SER 546 CO -0.01 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2qua n GLY 547 N 2.24 2.91 3.47 9.45 0.00 -0.76 -3.60 105.19 118.90 2qua n GLY 547 Ca -0.18 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 2qua n GLY 547 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qua s ASP 548 N -4.00 6.51 -0.02 1.61 1.01 -1.26 -4.61 116.67 115.91 2qua s ASP 548 Ca 0.00 -1.71 0.14 0.00 0.71 0.00 0.00 52.55 51.69 2qua s ASP 548 Cb 0.00 -2.44 0.44 0.00 1.01 0.00 0.00 42.92 41.93 2qua s ASP 548 CO 0.00 -1.23 1.35 2.22 0.21 0.00 0.00 175.17 177.72 2qua n PHE 549 N 7.24 0.74 -4.58 4.23 -1.74 -1.24 -4.57 117.46 117.55 2qua n PHE 549 Ca 0.20 -0.34 0.00 0.00 -0.56 0.00 0.00 57.45 56.75 2qua n PHE 549 Cb 0.49 -0.05 0.00 0.00 1.52 0.00 0.00 39.48 41.43 2qua n PHE 549 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2qua n GLY 550 N 1.14 -0.01 3.09 4.97 0.00 -1.26 -4.43 105.19 108.69 2qua n GLY 550 Ca 0.16 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 2qua n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qua s ARG 551 N 0.00 1.96 0.19 1.61 0.52 -1.26 -1.27 118.95 120.71 2qua s ARG 551 Ca 0.00 -1.63 0.01 0.00 -0.52 0.00 0.00 55.73 53.59 2qua s ARG 551 Cb 0.00 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 2qua s ARG 551 CO 0.00 -0.84 0.35 -0.51 0.02 0.00 0.00 175.30 174.32 2qua s ASP 552 N 1.26 6.35 -0.16 0.23 1.11 -0.11 -3.70 116.67 121.65 2qua s ASP 552 Ca 0.03 0.27 0.00 0.00 0.18 0.00 0.00 52.55 53.04 2qua s ASP 552 Cb -0.20 -1.95 0.00 0.00 1.07 0.00 0.00 42.92 41.83 2qua s ASP 552 CO -0.05 -0.02 -0.16 -1.10 1.18 0.00 0.00 175.17 175.03 2qua s GLN 553 N -3.40 3.19 -0.31 8.23 -0.21 -0.24 -1.44 119.66 125.48 2qua s GLN 553 Ca 0.36 -0.76 -0.04 0.00 0.02 0.00 0.00 55.36 54.95 2qua s GLN 553 Cb -0.11 -2.62 0.04 0.00 1.00 0.00 0.00 33.01 31.32 2qua s GLN 553 CO 0.29 -0.01 0.04 -1.17 -2.12 0.00 0.00 175.29 172.32 2qua s LEU 554 N 0.88 3.99 0.20 2.90 0.20 0.95 -0.47 118.68 127.34 2qua s LEU 554 Ca -0.04 -1.15 -0.00 0.00 0.69 0.00 0.00 54.13 53.62 2qua s LEU 554 Cb -0.15 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.79 2qua s LEU 554 CO -0.01 -0.27 0.39 -0.31 -0.29 0.00 0.00 176.35 175.86 2qua s TYR 555 N 1.33 3.48 0.00 5.38 2.02 0.76 -1.67 117.35 128.65 2qua s TYR 555 Ca -0.03 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 2qua s TYR 555 Cb -0.19 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.53 2qua s TYR 555 CO 0.00 0.38 0.00 0.41 -1.57 0.00 0.00 175.55 174.78 2qua n GLY 556 N -0.68 0.68 3.76 0.71 0.00 -1.26 -0.79 105.19 107.60 2qua n GLY 556 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2qua n GLY 556 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qua s PHE 557 N -2.63 2.82 0.31 1.61 5.36 -1.26 -4.73 117.98 119.46 2qua s PHE 557 Ca 0.00 0.98 0.01 0.00 -0.96 0.00 0.00 56.93 56.96 2qua s PHE 557 Cb 0.00 -3.96 -0.02 0.00 -0.34 0.00 0.00 43.02 38.70 2qua s PHE 557 CO 0.00 -3.07 0.34 0.54 -1.46 0.00 0.00 175.22 171.57 2qua s ASN 558 N 0.26 1.04 0.63 6.13 2.20 -1.26 -5.01 114.94 118.93 2qua s ASN 558 Ca 0.59 -1.55 0.31 0.00 -0.94 0.00 0.00 52.86 51.27 2qua s ASN 558 Cb -0.45 0.57 1.67 0.00 -2.00 0.00 0.00 41.25 41.04 2qua s ASN 558 CO 0.50 -1.12 1.99 0.00 -2.94 0.00 0.00 177.10 175.53 2qua h ALA 559 N 2.21 1.59 -0.02 3.54 0.00 -1.95 -0.47 119.26 124.17 2qua h ALA 559 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qua h ALA 559 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qua h ALA 559 CO 0.40 -0.39 -0.22 -1.13 0.00 0.00 0.00 179.25 177.92 2qua n SER 560 N -3.28 2.05 -4.97 0.00 3.41 -1.26 -4.96 113.62 104.61 2qua n SER 560 Ca 0.01 -1.54 -0.21 0.00 -0.26 0.00 0.00 58.87 56.86 2qua n SER 560 Cb 0.41 0.19 0.03 0.00 -0.26 0.00 0.00 64.21 64.58 2qua n SER 560 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2qua s ASP 561 N -2.26 5.42 0.00 4.04 1.01 -0.19 -3.12 116.67 121.58 2qua s ASP 561 Ca 0.26 0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.56 2qua s ASP 561 Cb 0.19 -1.02 -0.00 0.00 1.01 0.00 0.00 42.92 43.10 2qua s ASP 561 CO 0.44 -1.02 -0.01 -0.75 0.21 0.00 0.00 175.17 174.04 2qua s LYS 562 N -4.69 0.10 -0.12 8.23 2.20 -0.36 -4.69 119.74 120.41 2qua s LYS 562 Ca 0.55 -0.08 -0.01 0.00 -0.36 0.00 0.00 55.97 56.07 2qua s LYS 562 Cb -0.10 -0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 36.12 2qua s LYS 562 CO 0.38 0.02 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.79 2qua s LEU 563 N -0.13 2.99 -0.14 5.43 1.43 0.37 -0.39 118.68 128.23 2qua s LEU 563 Ca -0.01 -0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2qua s LEU 563 Cb -0.01 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.56 2qua s LEU 563 CO -0.00 0.23 -0.09 -0.69 0.23 0.00 0.00 176.35 176.03 2qua s VAL 564 N -0.01 1.23 -0.16 -1.59 1.01 -0.18 -0.29 120.40 120.40 2qua s VAL 564 Ca -0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2qua s VAL 564 Cb -0.14 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 2qua s VAL 564 CO 0.03 0.32 -0.12 -0.36 0.00 0.00 0.00 175.10 174.97 2qua s PHE 565 N 1.61 2.83 -0.08 5.22 0.08 -0.15 -0.64 117.98 126.86 2qua s PHE 565 Ca 0.04 -0.87 0.01 0.00 0.12 0.00 0.00 56.93 56.22 2qua s PHE 565 Cb -0.13 -1.91 0.02 0.00 -0.57 0.00 0.00 43.02 40.42 2qua s PHE 565 CO -0.09 -0.39 -0.09 0.42 -0.10 0.00 0.00 175.22 174.97 2qua s ILE 566 N 0.76 1.01 -1.20 0.64 1.01 -0.50 -0.86 121.20 122.06 2qua s ILE 566 Ca -0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 2qua s ILE 566 Cb -0.15 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 2qua s ILE 566 CO 0.01 0.34 0.93 0.61 0.00 0.00 0.00 174.94 176.84 2qua n GLY 567 N 4.28 -0.44 3.73 6.18 0.00 -0.53 -2.84 105.19 115.57 2qua n GLY 567 Ca -0.19 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 2qua n GLY 567 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qua s THR 568 N -3.42 3.03 0.49 2.61 -4.23 -1.26 -1.83 115.64 111.03 2qua s THR 568 Ca 0.06 -1.70 -0.24 0.00 -1.18 0.00 0.00 61.69 58.63 2qua s THR 568 Cb -0.01 -2.98 -0.07 0.00 1.34 0.00 0.00 72.50 70.79 2qua s THR 568 CO 0.75 -0.19 1.37 -1.61 -0.54 0.00 0.00 174.62 174.40 2qua s GLU 569 N -3.84 3.49 0.00 3.99 2.02 -1.26 -4.85 118.70 118.25 2qua s GLU 569 Ca 0.37 2.27 0.00 0.00 0.02 0.00 0.00 54.97 57.63 2qua s GLU 569 Cb -0.03 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.72 2qua s GLU 569 CO 0.23 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 174.99 2qua n GLY 570 N 0.64 2.63 0.05 -1.39 0.00 -1.26 -4.82 105.19 101.04 2qua n GLY 570 Ca 0.07 -1.51 0.11 0.00 0.00 0.00 0.00 46.02 44.70 2qua n GLY 570 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qua n ALA 571 N 1.41 3.02 -1.77 4.61 0.00 -1.26 -4.81 120.51 121.71 2qua n ALA 571 Ca 0.00 -0.37 -0.40 0.00 0.00 0.00 0.00 53.44 52.67 2qua n ALA 571 Cb 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 2qua n ALA 571 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qua s SER 572 N -4.47 6.83 0.00 0.00 0.15 -1.26 -4.92 113.70 110.03 2qua s SER 572 Ca 0.00 2.52 0.23 0.00 0.70 0.00 0.00 55.95 59.41 2qua s SER 572 Cb 0.13 -2.64 0.63 0.00 -1.71 0.00 0.00 66.02 62.43 2qua s SER 572 CO 0.82 -0.47 1.50 0.61 1.20 0.00 0.00 173.24 176.89 2qua n GLY 573 N 0.87 0.72 3.25 9.45 0.00 -1.26 -4.83 105.19 113.39 2qua n GLY 573 Ca 0.01 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 2qua n GLY 573 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qua s ASN 574 N -1.69 5.22 0.61 1.61 3.84 -1.26 -4.78 114.94 118.49 2qua s ASN 574 Ca 0.34 -1.18 0.29 0.00 0.21 0.00 0.00 52.86 52.53 2qua s ASN 574 Cb 0.20 -1.83 1.59 0.00 -0.55 0.00 0.00 41.25 40.65 2qua s ASN 574 CO 0.30 -0.31 1.97 -0.29 -2.79 0.00 0.00 177.10 175.97 2qua h ILE 575 N 6.24 0.30 -0.53 -5.21 6.09 -1.98 -0.47 117.51 121.95 2qua h ILE 575 Ca -0.23 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.25 2qua h ILE 575 Cb 1.08 0.70 -0.03 0.00 0.47 0.00 0.00 36.82 39.04 2qua h ILE 575 CO 0.59 0.00 0.29 -0.09 -3.07 0.00 0.00 178.15 175.86 2qua h ARG 576 N 0.00 0.73 0.00 2.19 2.43 -1.96 -0.81 114.38 116.96 2qua h ARG 576 Ca 0.12 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2qua h ARG 576 Cb 0.83 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2qua h ARG 576 CO -0.00 0.54 0.00 -0.44 -1.51 0.00 0.00 179.97 178.56 2qua h ASP 577 N 0.74 0.00 -0.02 -3.80 3.32 -1.50 -2.27 116.42 112.89 2qua h ASP 577 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2qua h ASP 577 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2qua h ASP 577 CO -0.03 0.00 -0.29 -1.22 -1.72 0.00 0.00 179.24 175.98 2qua n TYR 578 N -2.44 0.00 -3.90 4.55 4.01 -0.32 -5.02 117.16 114.04 2qua n TYR 578 Ca -0.01 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.37 2qua n TYR 578 Cb 0.11 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 2qua n TYR 578 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qua s ALA 579 N -2.08 3.88 -0.01 -0.72 0.00 -0.86 -1.14 121.76 120.83 2qua s ALA 579 Ca 0.19 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 2qua s ALA 579 Cb 0.16 -1.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 2qua s ALA 579 CO 0.43 0.65 0.03 0.95 0.00 0.00 0.00 175.76 177.82 2qua s THR 580 N -1.10 0.02 -0.16 0.00 -4.23 -0.80 -5.02 115.64 104.35 2qua s THR 580 Ca 0.18 -0.16 -0.20 0.00 -1.18 0.00 0.00 61.69 60.33 2qua s THR 580 Cb -0.12 -0.10 -0.03 0.00 1.34 0.00 0.00 72.50 73.58 2qua s THR 580 CO 0.08 -0.09 0.59 -1.58 -0.54 0.00 0.00 174.62 173.07 2qua s GLN 581 N -0.26 4.26 -0.39 3.99 2.00 -1.26 -1.41 119.66 126.60 2qua s GLN 581 Ca -0.03 0.58 0.04 0.00 -2.00 0.00 0.00 55.36 53.95 2qua s GLN 581 Cb -0.02 -3.53 0.11 0.00 0.80 0.00 0.00 33.01 30.37 2qua s GLN 581 CO -0.00 -0.10 0.11 -0.65 -0.50 0.00 0.00 175.29 174.14 2qua s GLN 582 N 1.44 1.61 5.68 1.67 -0.21 0.19 -4.98 119.66 125.06 2qua s GLN 582 Ca 0.28 -2.07 0.00 0.00 0.02 0.00 0.00 55.36 53.59 2qua s GLN 582 Cb -0.16 -3.24 0.00 0.00 1.00 0.00 0.00 33.01 30.61 2qua s GLN 582 CO 0.11 -0.98 0.00 0.09 -2.12 0.00 0.00 175.29 172.39 2qua n ASN 583 N 3.96 0.00 0.00 5.90 4.13 -1.26 -0.94 115.26 127.05 2qua n ASN 583 Ca 0.04 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.43 2qua n ASN 583 Cb 0.39 0.00 0.77 0.00 -1.54 0.00 0.00 39.78 39.41 2qua n ASN 583 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2qua n ASP 584 N 3.65 0.00 -4.50 6.41 8.00 -1.26 -4.81 116.55 124.04 2qua n ASP 584 Ca 0.00 -0.82 -0.33 0.00 0.71 0.00 0.00 54.79 54.34 2qua n ASP 584 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 2qua n ASP 584 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2qua s ASP 585 N -2.00 4.36 -0.26 -2.24 1.01 -0.11 -1.15 116.67 116.28 2qua s ASP 585 Ca 0.39 -0.14 -0.10 0.00 0.71 0.00 0.00 52.55 53.41 2qua s ASP 585 Cb 0.18 -1.23 -0.04 0.00 1.01 0.00 0.00 42.92 42.84 2qua s ASP 585 CO 0.30 0.30 0.15 -0.22 0.21 0.00 0.00 175.17 175.91 2qua s LEU 586 N -0.42 3.90 -0.31 1.23 2.96 -0.31 0.52 118.68 126.24 2qua s LEU 586 Ca 0.06 -0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 2qua s LEU 586 Cb -0.12 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 2qua s LEU 586 CO 0.02 -0.01 0.15 -0.69 -1.32 0.00 0.00 176.35 174.50 2qua s VAL 587 N 1.49 4.57 -0.40 1.68 1.01 -0.50 0.02 120.40 128.26 2qua s VAL 587 Ca 0.07 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 2qua s VAL 587 Cb -0.15 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.91 2qua s VAL 587 CO 0.07 0.06 0.36 -0.76 0.00 0.00 0.00 175.10 174.84 2qua s LEU 588 N 1.61 4.87 -0.18 3.92 1.43 0.41 -1.91 118.68 128.83 2qua s LEU 588 Ca 0.04 -0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 52.40 2qua s LEU 588 Cb -0.17 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 2qua s LEU 588 CO 0.06 -0.48 0.05 0.00 0.23 0.00 0.00 176.35 176.22 2qua s ALA 589 N 1.93 3.36 -0.52 4.21 0.00 -0.30 -0.68 121.76 129.76 2qua s ALA 589 Ca 0.09 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.36 2qua s ALA 589 Cb -0.18 -1.89 0.35 0.00 0.00 0.00 0.00 23.12 21.40 2qua s ALA 589 CO 0.12 0.16 0.91 1.19 0.00 0.00 0.00 175.76 178.14 2qua n PHE 590 N 3.57 3.11 0.00 0.00 3.72 0.20 -4.82 117.46 123.25 2qua n PHE 590 Ca -0.17 -3.91 0.00 0.00 -0.05 0.00 0.00 57.45 53.33 2qua n PHE 590 Cb 0.52 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 2qua n PHE 590 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qua n GLY 591 N -0.14 1.49 0.18 1.37 0.00 -1.26 -1.77 105.19 105.07 2qua n GLY 591 Ca 0.30 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.54 2qua n GLY 591 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2qua h HIS 592 N 0.00 0.00 -2.17 1.61 3.86 -1.97 -3.45 115.15 113.04 2qua h HIS 592 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 2qua h HIS 592 Cb 0.00 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.39 2qua h HIS 592 CO 0.00 0.00 -0.60 -1.12 0.86 0.00 0.00 177.93 177.07 2qua s SER 593 N -5.32 4.80 -0.02 2.45 0.01 -0.73 -4.59 113.70 110.30 2qua s SER 593 Ca 0.06 -0.56 -0.29 0.00 1.31 0.00 0.00 55.95 56.47 2qua s SER 593 Cb 0.09 -0.97 0.10 0.00 0.21 0.00 0.00 66.02 65.45 2qua s SER 593 CO 0.58 -0.04 0.97 0.00 0.41 0.00 0.00 173.24 175.16 2qua s GLN 594 N -3.73 0.76 -0.03 12.44 -2.07 -0.40 0.60 119.66 127.23 2qua s GLN 594 Ca 0.32 -0.31 0.01 0.00 -1.82 0.00 0.00 55.36 53.57 2qua s GLN 594 Cb -0.06 0.33 0.01 0.00 -1.09 0.00 0.00 33.01 32.20 2qua s GLN 594 CO 0.21 -0.34 -0.05 0.54 -1.32 0.00 0.00 175.29 174.34 2qua s VAL 595 N -2.99 0.50 -0.30 3.63 0.11 0.15 -0.94 120.40 120.56 2qua s VAL 595 Ca 0.07 -0.17 -0.09 0.00 -2.93 0.00 0.00 61.98 58.86 2qua s VAL 595 Cb -0.01 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.34 2qua s VAL 595 CO -0.07 0.19 0.13 -0.89 -3.33 0.00 0.00 175.10 171.13 2qua s THR 596 N 0.49 4.47 -0.44 5.04 2.01 -0.52 -0.44 115.64 126.25 2qua s THR 596 Ca -0.06 -0.42 -0.21 0.00 0.31 0.00 0.00 61.69 61.31 2qua s THR 596 Cb -0.10 -3.25 0.02 0.00 0.01 0.00 0.00 72.50 69.18 2qua s THR 596 CO -0.00 0.11 0.67 -0.76 -0.69 0.00 0.00 174.62 173.95 2qua s LEU 597 N 1.60 4.47 0.13 4.42 1.02 0.10 -0.03 118.68 130.38 2qua s LEU 597 Ca 0.05 -0.31 -0.30 0.00 0.02 0.00 0.00 54.13 53.58 2qua s LEU 597 Cb -0.17 -2.76 -0.07 0.00 0.02 0.00 0.00 46.19 43.21 2qua s LEU 597 CO 0.05 -0.81 1.25 -0.63 0.02 0.00 0.00 176.35 176.23 2qua s ILE 598 N 2.90 3.66 -1.34 -0.59 1.09 -0.67 -1.16 121.20 125.08 2qua s ILE 598 Ca 0.24 1.27 -0.02 0.00 -1.10 0.00 0.00 60.65 61.04 2qua s ILE 598 Cb -0.14 -3.81 0.00 0.00 -1.06 0.00 0.00 42.46 37.45 2qua s ILE 598 CO 0.20 0.14 0.22 0.61 -0.10 0.00 0.00 174.94 176.01 2qua n GLY 599 N 2.84 -0.30 3.20 6.18 0.00 -0.30 -4.68 105.19 112.13 2qua n GLY 599 Ca 0.08 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 2qua n GLY 599 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qua s VAL 600 N -2.93 1.34 0.12 1.61 1.01 -0.46 -4.98 120.40 116.11 2qua s VAL 600 Ca 0.11 -1.19 0.08 0.00 0.00 0.00 0.00 61.98 60.98 2qua s VAL 600 Cb -0.05 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2qua s VAL 600 CO 0.14 -0.00 -0.19 -0.94 0.00 0.00 0.00 175.10 174.10 2qua s SER 601 N -1.39 2.51 0.40 3.32 1.04 -1.26 -3.09 113.70 115.23 2qua s SER 601 Ca 0.03 -0.75 0.07 0.00 0.48 0.00 0.00 55.95 55.78 2qua s SER 601 Cb -0.09 -0.14 0.83 0.00 0.10 0.00 0.00 66.02 66.73 2qua s SER 601 CO 0.02 0.01 2.04 0.25 0.98 0.00 0.00 173.24 176.54 2qua h LEU 602 N 3.78 0.51 0.00 2.42 5.85 -1.98 -1.59 115.31 124.30 2qua h LEU 602 Ca -0.44 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2qua h LEU 602 Cb 1.19 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2qua h LEU 602 CO 0.44 0.36 0.00 -0.90 -0.34 0.00 0.00 178.44 178.00 2qua n ASP 603 N -4.47 0.00 -0.86 1.25 5.75 -1.26 -1.67 116.55 115.29 2qua n ASP 603 Ca 0.04 -0.62 0.08 0.00 -0.01 0.00 0.00 54.79 54.29 2qua n ASP 603 Cb 0.08 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.35 2qua n ASP 603 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2qua n HIS 604 N -0.97 0.48 -3.97 2.11 8.25 -0.60 -4.92 115.22 115.59 2qua n HIS 604 Ca 0.13 -0.34 -0.35 0.00 -0.26 0.00 0.00 57.72 56.90 2qua n HIS 604 Cb 0.06 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.02 2qua n HIS 604 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qua s ILE 605 N -1.12 3.38 0.62 1.59 1.01 -0.67 -4.81 121.20 121.21 2qua s ILE 605 Ca 0.30 -0.49 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 2qua s ILE 605 Cb 0.17 -2.53 0.03 0.00 0.01 0.00 0.00 42.46 40.13 2qua s ILE 605 CO 0.23 0.43 0.93 -0.94 0.00 0.00 0.00 174.94 175.59 2qua s SER 606 N 1.37 5.34 0.42 3.58 1.04 -1.26 -4.98 113.70 119.21 2qua s SER 606 Ca 0.04 0.61 0.14 0.00 0.48 0.00 0.00 55.95 57.23 2qua s SER 606 Cb -0.14 -1.49 0.90 0.00 0.10 0.00 0.00 66.02 65.39 2qua s SER 606 CO -0.03 -1.23 1.92 0.71 0.98 0.00 0.00 173.24 175.60 2qua h THR 607 N -0.30 1.16 0.00 2.02 1.35 -1.99 -1.44 112.91 113.71 2qua h THR 607 Ca -0.45 -0.90 -0.00 0.00 -0.55 0.00 0.00 66.41 64.51 2qua h THR 607 Cb 1.28 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 69.18 2qua h THR 607 CO 0.60 0.25 -0.01 0.44 -0.25 0.00 0.00 175.52 176.56 2qua h ASP 608 N 0.00 0.00 -0.01 5.36 3.32 -2.00 -3.05 116.42 120.04 2qua h ASP 608 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qua h ASP 608 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2qua h ASP 608 CO 0.03 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 2qua n GLN 609 N -3.13 1.34 -3.75 3.56 6.02 -0.54 -4.85 117.38 116.04 2qua n GLN 609 Ca -0.01 -0.50 -0.15 0.00 -0.01 0.00 0.00 57.00 56.33 2qua n GLN 609 Cb 0.19 -1.48 -0.15 0.00 1.02 0.00 0.00 30.24 29.82 2qua n GLN 609 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2qua s VAL 610 N -2.00 -0.07 -0.17 5.09 1.01 -1.16 -0.48 120.40 122.62 2qua s VAL 610 Ca 0.42 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 2qua s VAL 610 Cb 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.42 2qua s VAL 610 CO 0.35 0.09 -0.13 -0.69 0.00 0.00 0.00 175.10 174.72 2qua s VAL 611 N 1.26 2.81 -0.34 2.92 1.01 0.60 -4.98 120.40 123.67 2qua s VAL 611 Ca -0.08 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 2qua s VAL 611 Cb -0.12 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.08 2qua s VAL 611 CO -0.05 0.50 0.12 -0.76 0.00 0.00 0.00 175.10 174.91 2qua s LEU 612 N 1.00 4.38 0.00 3.92 1.43 -1.26 -0.97 118.68 127.17 2qua s LEU 612 Ca -0.02 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 2qua s LEU 612 Cb -0.15 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.17 2qua s LEU 612 CO -0.02 -0.33 0.27 0.00 0.23 0.00 0.00 176.35 176.50