#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qey s GLN 4 N 0.00 0.54 0.09 0.54 -2.07 -1.26 -4.94 119.66 112.56 2qey s GLN 4 Ca 0.00 0.38 0.26 0.00 -1.82 0.00 0.00 55.36 54.18 2qey s GLN 4 Cb 0.00 0.26 0.67 0.00 -1.09 0.00 0.00 33.01 32.85 2qey s GLN 4 CO 0.00 -0.12 1.57 1.28 -1.32 0.00 0.00 175.29 176.70 2qey n LEU 5 N 1.51 0.55 0.00 2.60 4.77 -1.26 -4.91 117.00 120.26 2qey n LEU 5 Ca -0.11 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2qey n LEU 5 Cb 0.57 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2qey n LEU 5 CO 0.09 -0.04 0.00 1.41 -1.33 0.00 0.00 177.39 177.52 2qey n HIS 6 N -1.90 0.00 -2.74 -1.77 8.25 -1.26 -5.10 115.22 110.70 2qey n HIS 6 Ca 0.05 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.48 2qey n HIS 6 Cb 0.40 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.58 2qey n HIS 6 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2qey n ASN 7 N 0.00 0.31 -0.17 0.41 3.02 -1.26 -4.92 115.26 112.64 2qey n ASN 7 Ca 0.00 -2.26 0.06 0.00 -0.03 0.00 0.00 54.58 52.35 2qey n ASN 7 Cb 0.00 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2qey n ASN 7 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qey n GLY 8 N -0.75 -0.13 0.08 7.41 0.00 -1.26 -4.66 105.19 105.87 2qey n GLY 8 Ca -0.01 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 2qey n GLY 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qey n LEU 9 N -0.67 0.94 -4.61 0.99 4.77 -1.26 -4.90 117.00 112.26 2qey n LEU 9 Ca 0.04 -0.03 -0.43 0.00 -0.03 0.00 0.00 56.01 55.56 2qey n LEU 9 Cb 0.24 0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2qey n LEU 9 CO 0.21 0.50 0.89 -0.62 -1.33 0.00 0.00 177.39 177.04 2qey s ASP 10 N -5.12 6.73 -0.13 -1.43 -1.08 -1.26 -4.91 116.67 109.47 2qey s ASP 10 Ca -0.13 0.65 0.16 0.00 -0.52 0.00 0.00 52.55 52.71 2qey s ASP 10 Cb 0.05 -2.51 0.68 0.00 -1.46 0.00 0.00 42.92 39.68 2qey s ASP 10 CO 0.55 -0.99 1.57 0.49 0.52 0.00 0.00 175.17 177.31 2qey n PHE 11 N 7.12 1.49 -0.15 -5.34 3.72 -1.26 -4.53 117.46 118.50 2qey n PHE 11 Ca 0.10 -0.57 0.07 0.00 -0.05 0.00 0.00 57.45 57.00 2qey n PHE 11 Cb 0.48 -0.29 0.39 0.00 -0.94 0.00 0.00 39.48 39.12 2qey n PHE 11 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2qey h SER 12 N 3.70 0.60 0.79 4.37 0.02 -1.99 -2.35 113.55 118.69 2qey h SER 12 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qey h SER 12 Cb 1.46 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.88 2qey h SER 12 CO 0.27 0.38 0.00 0.00 -1.14 0.00 0.00 176.83 176.34 2qey h ALA 13 N 1.63 1.00 -0.16 3.77 0.00 -2.02 -2.96 119.26 120.52 2qey h ALA 13 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2qey h ALA 13 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qey h ALA 13 CO -0.10 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.78 2qey n LYS 14 N -2.55 2.01 -2.60 0.00 5.02 -0.89 -4.94 118.16 114.22 2qey n LYS 14 Ca 0.01 -1.87 -0.43 0.00 -2.02 0.00 0.00 58.31 54.00 2qey n LYS 14 Cb 0.25 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 2qey n LYS 14 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qey s VAL 15 N -1.53 4.59 -0.59 -0.18 1.01 -1.12 -0.58 120.40 121.99 2qey s VAL 15 Ca 0.28 1.91 0.16 0.00 0.00 0.00 0.00 61.98 64.33 2qey s VAL 15 Cb 0.18 -4.23 -0.20 0.00 0.00 0.00 0.00 36.38 32.13 2qey s VAL 15 CO 0.26 -0.15 0.61 2.30 0.00 0.00 0.00 175.10 178.12 2qey n ILE 16 N 5.26 0.00 -3.74 2.22 -5.35 0.37 -4.91 119.36 113.21 2qey n ILE 16 Ca 0.12 -0.18 -0.12 0.00 -0.27 0.00 0.00 62.75 62.30 2qey n ILE 16 Cb 0.46 0.79 -0.12 0.00 -1.74 0.00 0.00 39.64 39.03 2qey n ILE 16 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2qey s GLN 17 N -2.67 0.28 1.60 6.28 0.74 -1.24 -5.00 119.66 119.65 2qey s GLN 17 Ca 0.03 0.53 0.00 0.00 0.05 0.00 0.00 55.36 55.97 2qey s GLN 17 Cb 0.12 -0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.22 2qey s GLN 17 CO 0.67 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.70 2qey n GLY 18 N 3.78 -1.32 3.41 2.59 0.00 -1.26 -1.71 105.19 110.68 2qey n GLY 18 Ca -0.21 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 2qey n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qey s SER 19 N -4.00 -0.67 0.39 1.61 0.15 -1.26 -5.00 113.70 104.91 2qey s SER 19 Ca 0.00 1.12 0.11 0.00 0.70 0.00 0.00 55.95 57.89 2qey s SER 19 Cb 0.00 1.00 0.79 0.00 -1.71 0.00 0.00 66.02 66.10 2qey s SER 19 CO 0.00 -0.21 1.89 -0.07 1.20 0.00 0.00 173.24 176.05 2qey h LEU 20 N 7.05 0.12 -1.34 3.45 3.38 -1.94 -2.88 115.31 123.15 2qey h LEU 20 Ca -0.34 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 2qey h LEU 20 Cb 1.20 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2qey h LEU 20 CO 0.24 0.35 -0.33 0.44 0.09 0.00 0.00 178.44 179.24 2qey h ASP 21 N 0.11 0.01 1.57 -0.43 3.32 -2.00 -2.97 116.42 116.03 2qey h ASP 21 Ca 0.02 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2qey h ASP 21 Cb 0.47 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 2qey h ASP 21 CO 0.03 0.34 -0.43 0.77 -1.72 0.00 0.00 179.24 178.22 2qey h SER 22 N 0.01 0.00 -4.04 6.45 4.64 -1.93 -3.46 113.55 115.21 2qey h SER 22 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2qey h SER 22 Cb 0.58 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.77 2qey h SER 22 CO 0.04 0.02 0.52 -0.76 -0.87 0.00 0.00 176.83 175.78 2qey s LEU 23 N -5.87 3.86 0.53 5.97 1.43 -1.12 -5.00 118.68 118.49 2qey s LEU 23 Ca 0.04 2.47 -0.22 0.00 -1.03 0.00 0.00 54.13 55.39 2qey s LEU 23 Cb 0.07 -4.36 -0.06 0.00 0.03 0.00 0.00 46.19 41.88 2qey s LEU 23 CO 0.72 -1.31 1.28 -2.65 0.23 0.00 0.00 176.35 174.62 2qey n PRO 24 N -0.97 1.59 -0.14 1.29 -0.02 -1.26 -4.74 135.00 130.76 2qey n PRO 24 Ca 0.10 0.59 -0.06 0.00 -2.02 0.00 0.00 63.50 62.11 2qey n PRO 24 Cb 0.48 -2.48 0.01 0.00 -0.02 0.00 0.00 33.50 31.49 2qey n PRO 24 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2qey h GLN 25 N 1.38 -0.16 0.00 -0.52 4.15 -1.94 0.31 115.11 118.32 2qey h GLN 25 Ca -0.50 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 58.87 2qey h GLN 25 Cb 1.31 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.03 2qey h GLN 25 CO 0.56 -0.11 -0.31 0.93 -1.93 0.00 0.00 178.83 177.98 2qey h GLU 26 N -0.17 0.00 -0.19 1.69 4.39 -1.94 -1.52 114.58 116.85 2qey h GLU 26 Ca 0.20 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.84 2qey h GLU 26 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2qey h GLU 26 CO -0.54 0.31 -0.12 0.28 -1.16 0.00 0.00 179.01 177.78 2qey h VAL 27 N 0.00 1.32 -0.66 3.13 2.07 -1.51 -2.42 116.25 118.18 2qey h VAL 27 Ca -0.00 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.35 2qey h VAL 27 Cb 0.57 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 2qey h VAL 27 CO 0.04 0.37 0.39 -0.09 0.02 0.00 0.00 177.57 178.29 2qey h ARG 28 N 0.10 0.71 -0.77 1.57 2.43 -0.58 -0.58 114.38 117.26 2qey h ARG 28 Ca 0.04 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2qey h ARG 28 Cb 0.62 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2qey h ARG 28 CO 0.03 0.47 0.32 0.87 -1.51 0.00 0.00 179.97 180.16 2qey h LYS 29 N 0.73 1.14 -0.23 0.20 1.57 -1.29 0.15 116.57 118.83 2qey h LYS 29 Ca 0.28 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2qey h LYS 29 Cb 0.12 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2qey h LYS 29 CO -0.15 0.91 0.07 0.35 -0.57 0.00 0.00 179.45 180.06 2qey h PHE 30 N 1.11 0.38 0.21 -1.35 3.57 -0.92 -1.17 116.94 118.76 2qey h PHE 30 Ca 0.26 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2qey h PHE 30 Cb 0.19 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2qey h PHE 30 CO 0.02 0.45 -0.10 0.28 -2.23 0.00 0.00 178.31 176.72 2qey h VAL 31 N 0.20 0.88 -0.55 1.41 2.07 -0.85 -2.82 116.25 116.60 2qey h VAL 31 Ca 0.07 -0.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 2qey h VAL 31 Cb 0.25 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2qey h VAL 31 CO -0.00 0.14 -0.04 -0.33 0.02 0.00 0.00 177.57 177.37 2qey h GLU 32 N -0.62 0.97 -0.73 1.57 5.08 -0.79 0.17 114.58 120.24 2qey h GLU 32 Ca -0.03 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 2qey h GLU 32 Cb 0.45 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2qey h GLU 32 CO 0.05 0.98 0.43 0.78 -1.00 0.00 0.00 179.01 180.25 2qey h GLY 33 N 0.98 1.06 1.99 -3.84 0.00 -1.29 -0.31 103.07 101.66 2qey h GLY 33 Ca 0.15 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 2qey h GLY 33 CO 0.03 0.43 -0.43 3.43 0.00 0.00 0.00 176.54 180.00 2qey h ASN 34 N 0.99 0.00 -0.38 0.19 2.35 -1.35 -2.72 115.58 114.67 2qey h ASN 34 Ca 0.26 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.97 2qey h ASN 34 Cb -0.02 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2qey h ASN 34 CO -0.05 0.42 0.07 0.00 -1.65 0.00 0.00 177.43 176.23 2qey h ALA 35 N 1.58 0.51 -0.86 -0.83 0.00 -0.67 0.11 119.26 119.10 2qey h ALA 35 Ca -0.01 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2qey h ALA 35 Cb 1.33 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2qey h ALA 35 CO 0.05 0.21 0.56 1.96 0.00 0.00 0.00 179.25 182.03 2qey h GLN 36 N 0.48 1.06 0.06 0.00 4.20 -1.03 0.05 115.11 119.93 2qey h GLN 36 Ca 0.12 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2qey h GLN 36 Cb 0.35 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2qey h GLN 36 CO 0.01 0.70 -0.03 1.25 -0.67 0.00 0.00 178.83 180.08 2qey h LEU 37 N 1.09 -0.07 0.00 1.46 5.85 -1.35 -3.36 115.31 118.93 2qey h LEU 37 Ca 0.34 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2qey h LEU 37 Cb -0.01 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2qey h LEU 37 CO -0.11 0.58 -0.27 0.00 -0.34 0.00 0.00 178.44 178.29 2qey n GLN 39 N -2.70 -3.57 -1.70 0.00 1.13 0.00 -0.97 117.38 109.58 2qey n GLN 39 Ca 0.03 0.67 -0.33 0.00 -1.94 0.00 0.00 57.00 55.44 2qey n GLN 39 Cb 0.50 -5.19 0.05 0.00 0.11 0.00 0.00 30.24 25.71 2qey n GLN 39 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2qey s PRO 40 N -5.49 2.76 0.09 -1.09 0.04 -1.26 -3.06 135.00 126.98 2qey s PRO 40 Ca 0.23 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.43 2qey s PRO 40 Cb -0.05 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 2qey s PRO 40 CO 0.79 -1.27 1.43 1.49 0.04 0.00 0.00 177.00 179.48 2qey h GLU 41 N -0.14 0.59 -4.99 4.56 4.81 -0.56 -3.46 114.58 115.40 2qey h GLU 41 Ca -0.46 -0.28 -0.32 0.00 -0.13 0.00 0.00 59.36 58.17 2qey h GLU 41 Cb 1.24 -0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.45 2qey h GLU 41 CO 0.54 0.87 -0.72 0.71 -0.73 0.00 0.00 179.01 179.67 2qey s TYR 42 N -4.47 1.13 -0.19 0.92 2.02 -1.17 -4.85 117.35 110.74 2qey s TYR 42 Ca -0.13 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 55.86 2qey s TYR 42 Cb 0.08 -0.60 0.01 0.00 -0.40 0.00 0.00 41.96 41.05 2qey s TYR 42 CO 0.80 0.02 -0.17 0.42 -1.57 0.00 0.00 175.55 175.04 2qey s ILE 43 N -2.84 2.30 -0.33 2.71 1.01 0.25 -0.14 121.20 124.15 2qey s ILE 43 Ca 0.10 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 2qey s ILE 43 Cb -0.00 -1.98 0.05 0.00 0.01 0.00 0.00 42.46 40.53 2qey s ILE 43 CO -0.00 0.52 0.08 -2.28 0.00 0.00 0.00 174.94 173.26 2qey s HIS 44 N 1.30 3.27 -0.44 3.97 2.46 -0.09 -0.48 115.29 125.28 2qey s HIS 44 Ca 0.05 -1.57 -0.25 0.00 0.47 0.00 0.00 55.06 53.75 2qey s HIS 44 Cb -0.13 -2.28 0.02 0.00 -0.13 0.00 0.00 32.58 30.06 2qey s HIS 44 CO -0.11 -0.76 0.90 0.42 -2.47 0.00 0.00 174.74 172.72 2qey s ILE 45 N 1.36 4.52 0.34 0.89 1.01 -0.69 -0.18 121.20 128.45 2qey s ILE 45 Ca -0.02 0.77 -0.28 0.00 0.00 0.00 0.00 60.65 61.12 2qey s ILE 45 Cb -0.20 -4.39 -0.10 0.00 0.01 0.00 0.00 42.46 37.78 2qey s ILE 45 CO 0.02 -0.76 1.33 0.00 0.00 0.00 0.00 174.94 175.53 2qey n ASP 47 N 0.69 0.74 0.00 0.00 5.68 -1.26 -4.23 116.55 118.17 2qey n ASP 47 Ca 0.00 -0.83 0.00 0.00 -0.50 0.00 0.00 54.79 53.46 2qey n ASP 47 Cb 0.42 1.02 0.00 0.00 -1.14 0.00 0.00 41.12 41.42 2qey n ASP 47 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qey n GLY 48 N 1.37 0.40 3.83 6.12 0.00 -1.26 -2.11 105.19 113.54 2qey n GLY 48 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2qey n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qey s SER 49 N -2.03 5.46 0.23 1.61 1.04 -1.26 -4.90 113.70 113.85 2qey s SER 49 Ca 0.00 1.58 -0.06 0.00 0.48 0.00 0.00 55.95 57.95 2qey s SER 49 Cb 0.00 -2.47 0.21 0.00 0.10 0.00 0.00 66.02 63.86 2qey s SER 49 CO 0.00 -1.39 1.78 -0.08 0.98 0.00 0.00 173.24 174.53 2qey h GLU 50 N -0.68 1.10 0.03 4.02 4.57 -1.99 -2.19 114.58 119.44 2qey h GLU 50 Ca -0.44 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.52 2qey h GLU 50 Cb 1.21 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.63 2qey h GLU 50 CO 0.58 0.93 -0.03 1.49 -1.18 0.00 0.00 179.01 180.79 2qey h GLU 51 N 1.06 -0.06 -0.85 1.92 4.81 -1.99 0.12 114.58 119.59 2qey h GLU 51 Ca 0.23 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.51 2qey h GLU 51 Cb 0.28 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 2qey h GLU 51 CO -0.01 -0.04 0.54 1.49 -0.73 0.00 0.00 179.01 180.26 2qey h GLU 52 N -0.07 1.00 0.38 1.92 4.81 -1.93 -1.46 114.58 119.23 2qey h GLU 52 Ca 0.00 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2qey h GLU 52 Cb 0.06 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.22 2qey h GLU 52 CO -0.01 0.66 -0.18 -0.92 -0.73 0.00 0.00 179.01 177.83 2qey h TYR 53 N 1.03 -0.47 -0.62 0.92 3.20 -1.04 -2.35 116.97 117.63 2qey h TYR 53 Ca 0.35 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.25 2qey h TYR 53 Cb 0.07 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 2qey h TYR 53 CO -0.03 -0.17 0.36 0.78 -1.64 0.00 0.00 178.16 177.47 2qey h GLY 54 N -0.75 0.89 1.26 1.82 0.00 -0.65 -1.87 103.07 103.77 2qey h GLY 54 Ca -0.05 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 2qey h GLY 54 CO 0.09 0.20 -0.08 3.21 0.00 0.00 0.00 176.54 179.96 2qey h ARG 55 N 0.70 0.88 -0.35 4.80 3.08 -1.31 -1.61 114.38 120.57 2qey h ARG 55 Ca 0.26 -0.29 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 2qey h ARG 55 Cb 0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2qey h ARG 55 CO -0.13 0.92 -0.35 1.25 -1.07 0.00 0.00 179.97 180.60 2qey h LEU 56 N 0.79 0.83 -0.53 3.04 5.85 -1.18 -0.90 115.31 123.21 2qey h LEU 56 Ca 0.14 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 2qey h LEU 56 Cb 0.59 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2qey h LEU 56 CO 0.04 1.10 0.26 -0.07 -0.34 0.00 0.00 178.44 179.42 2qey h LEU 57 N 0.66 0.70 -1.15 2.25 3.38 -1.19 -1.37 115.31 118.58 2qey h LEU 57 Ca 0.07 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2qey h LEU 57 Cb 0.89 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2qey h LEU 57 CO 0.08 0.63 0.15 0.00 0.09 0.00 0.00 178.44 179.40 2qey h ALA 58 N 1.09 1.32 -0.45 1.53 0.00 -1.09 -0.69 119.26 120.97 2qey h ALA 58 Ca 0.18 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2qey h ALA 58 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2qey h ALA 58 CO -0.02 0.49 -0.07 1.25 0.00 0.00 0.00 179.25 180.89 2qey h HIS 59 N 0.73 0.95 -0.49 0.00 -0.00 -0.86 -1.52 115.15 113.96 2qey h HIS 59 Ca 0.17 -0.19 -0.07 0.00 -0.00 0.00 0.00 60.37 60.27 2qey h HIS 59 Cb 0.22 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.37 2qey h HIS 59 CO 0.01 0.93 0.00 0.52 -0.00 0.00 0.00 177.93 179.40 2qey h MET 60 N 0.69 0.81 -0.31 5.26 2.07 -0.96 -2.24 114.93 120.25 2qey h MET 60 Ca 0.12 -0.22 -0.01 0.00 -2.07 0.00 0.00 59.70 57.52 2qey h MET 60 Cb 0.60 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.23 2qey h MET 60 CO 0.04 0.81 0.14 0.37 1.07 0.00 0.00 176.91 179.34 2qey h GLN 61 N 0.76 0.45 -0.29 1.72 4.15 -0.94 0.16 115.11 121.13 2qey h GLN 61 Ca 0.15 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.43 2qey h GLN 61 Cb 0.45 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 2qey h GLN 61 CO 0.02 0.44 -0.12 1.49 -1.93 0.00 0.00 178.83 178.73 2qey h GLU 62 N 0.36 0.48 -0.00 1.69 4.57 -1.19 -2.40 114.58 118.09 2qey h GLU 62 Ca 0.11 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2qey h GLU 62 Cb 0.14 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2qey h GLU 62 CO -0.01 0.60 -0.02 0.39 -1.18 0.00 0.00 179.01 178.78 2qey n GLU 63 N -4.21 0.49 -1.03 1.92 1.02 -0.85 -4.91 120.64 113.07 2qey n GLU 63 Ca 0.01 -0.04 -0.01 0.00 -0.02 0.00 0.00 57.16 57.09 2qey n GLU 63 Cb 0.31 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2qey n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qey n GLY 64 N 1.27 0.50 0.16 0.62 0.00 -0.85 -4.93 105.19 101.96 2qey n GLY 64 Ca 0.15 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 2qey n GLY 64 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qey h VAL 65 N 0.00 1.39 -3.62 1.61 2.07 -0.94 -3.45 116.25 113.30 2qey h VAL 65 Ca -0.02 -2.40 -0.31 0.00 0.82 0.00 0.00 66.70 64.79 2qey h VAL 65 Cb 0.14 2.38 -0.16 0.00 -1.52 0.00 0.00 31.29 32.12 2qey h VAL 65 CO 0.03 0.72 -0.72 0.27 0.02 0.00 0.00 177.57 177.89 2qey s ILE 66 N -3.31 0.99 0.02 4.57 -4.36 -1.11 -4.56 121.20 113.44 2qey s ILE 66 Ca -0.06 -1.82 0.04 0.00 -0.26 0.00 0.00 60.65 58.55 2qey s ILE 66 Cb 0.09 -1.57 -0.03 0.00 1.25 0.00 0.00 42.46 42.20 2qey s ILE 66 CO 0.87 -0.66 -0.08 -0.13 0.24 0.00 0.00 174.94 175.18 2qey s ARG 67 N -3.24 2.46 0.00 0.37 0.52 0.35 -4.08 118.95 115.34 2qey s ARG 67 Ca 0.10 -0.78 -0.26 0.00 -0.52 0.00 0.00 55.73 54.27 2qey s ARG 67 Cb -0.00 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 2qey s ARG 67 CO -0.00 0.58 0.80 0.21 0.02 0.00 0.00 175.30 176.91 2qey s LYS 68 N -1.52 4.50 -0.67 3.54 2.20 -1.26 -0.40 119.74 126.14 2qey s LYS 68 Ca 0.17 1.10 -0.20 0.00 -0.36 0.00 0.00 55.97 56.68 2qey s LYS 68 Cb -0.11 -3.41 0.10 0.00 -1.51 0.00 0.00 37.83 32.90 2qey s LYS 68 CO 0.08 0.15 0.86 -0.51 -0.36 0.00 0.00 175.35 175.57 2qey s LEU 69 N 0.42 4.97 0.43 5.43 1.43 0.04 -4.92 118.68 126.48 2qey s LEU 69 Ca 0.41 -1.36 0.30 0.00 -1.03 0.00 0.00 54.13 52.45 2qey s LEU 69 Cb -0.20 -2.36 1.28 0.00 0.03 0.00 0.00 46.19 44.94 2qey s LEU 69 CO 0.23 -1.23 1.88 0.07 0.23 0.00 0.00 176.35 177.53 2qey h LYS 70 N 9.27 0.00 -0.01 1.70 2.10 -1.82 -2.73 116.57 125.08 2qey h LYS 70 Ca -0.23 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.32 2qey h LYS 70 Cb 1.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.39 2qey h LYS 70 CO 1.13 0.00 -0.49 -0.22 -2.00 0.00 0.00 179.45 177.87 2qey h LYS 71 N 0.00 0.01 -5.87 0.07 3.64 -1.55 -3.46 116.57 109.41 2qey h LYS 71 Ca 0.00 -0.01 -0.58 0.00 -1.27 0.00 0.00 60.65 58.79 2qey h LYS 71 Cb 0.39 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 2qey h LYS 71 CO 0.00 0.50 -0.38 0.71 -2.27 0.00 0.00 179.45 178.01 2qey s TYR 72 N -3.93 1.99 -0.49 1.91 2.02 -1.03 -5.03 117.35 112.79 2qey s TYR 72 Ca -0.02 -0.76 -0.22 0.00 -0.37 0.00 0.00 57.07 55.70 2qey s TYR 72 Cb 0.14 -1.92 0.04 0.00 -0.40 0.00 0.00 41.96 39.81 2qey s TYR 72 CO 0.75 -0.22 0.77 0.34 -1.57 0.00 0.00 175.55 175.62 2qey s ASP 73 N -4.14 6.33 -1.30 2.29 2.15 -1.09 -4.43 116.67 116.49 2qey s ASP 73 Ca 0.34 -0.41 -0.05 0.00 0.43 0.00 0.00 52.55 52.86 2qey s ASP 73 Cb -0.01 -2.37 -0.00 0.00 -0.30 0.00 0.00 42.92 40.24 2qey s ASP 73 CO 0.20 -0.99 0.62 -3.20 -0.17 0.00 0.00 175.17 171.64 2qey n ASN 74 N 6.75 -1.88 -4.54 -0.34 5.15 -1.26 -0.92 115.26 118.22 2qey n ASN 74 Ca -0.01 -0.93 -0.30 0.00 -0.60 0.00 0.00 54.58 52.75 2qey n ASN 74 Cb 0.47 -3.58 -0.11 0.00 -0.53 0.00 0.00 39.78 36.03 2qey n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qey s TRP 76 N -1.15 0.89 -0.06 0.00 0.52 -0.51 -0.78 118.94 117.85 2qey s TRP 76 Ca 0.19 -0.69 0.02 0.00 0.02 0.00 0.00 56.10 55.64 2qey s TRP 76 Cb -0.11 -0.51 0.02 0.00 -1.15 0.00 0.00 33.47 31.72 2qey s TRP 76 CO 0.11 -0.08 -0.09 -1.17 0.02 0.00 0.00 176.95 175.75 2qey s LEU 77 N -2.37 1.48 -0.10 2.99 2.96 0.47 0.03 118.68 124.14 2qey s LEU 77 Ca 0.03 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2qey s LEU 77 Cb -0.02 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 45.99 2qey s LEU 77 CO -0.01 -0.01 -0.17 0.00 -1.32 0.00 0.00 176.35 174.83 2qey s ALA 78 N 0.83 2.49 -0.19 5.97 0.00 0.15 -0.49 121.76 130.51 2qey s ALA 78 Ca -0.12 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 2qey s ALA 78 Cb -0.15 -1.01 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 2qey s ALA 78 CO 0.02 0.35 -0.10 -0.51 0.00 0.00 0.00 175.76 175.51 2qey s LEU 79 N 0.03 2.64 0.60 0.00 1.43 -1.26 -0.53 118.68 121.60 2qey s LEU 79 Ca -0.06 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2qey s LEU 79 Cb -0.15 -1.64 0.04 0.00 0.03 0.00 0.00 46.19 44.48 2qey s LEU 79 CO 0.05 0.02 0.85 0.42 0.23 0.00 0.00 176.35 177.92 2qey s THR 80 N 1.20 2.54 0.13 5.49 -4.23 -1.26 -4.78 115.64 114.73 2qey s THR 80 Ca 0.02 -0.54 -0.31 0.00 -1.18 0.00 0.00 61.69 59.68 2qey s THR 80 Cb -0.14 -2.99 -0.10 0.00 1.34 0.00 0.00 72.50 70.60 2qey s THR 80 CO -0.04 0.00 1.80 -0.62 -0.54 0.00 0.00 174.62 175.22 2qey s ASP 81 N -4.46 6.44 0.66 3.99 -1.08 -1.26 -4.89 116.67 116.06 2qey s ASP 81 Ca 0.58 2.75 0.32 0.00 -0.52 0.00 0.00 52.55 55.68 2qey s ASP 81 Cb -0.10 -2.57 1.73 0.00 -1.46 0.00 0.00 42.92 40.52 2qey s ASP 81 CO 0.40 -0.99 1.99 1.55 0.52 0.00 0.00 175.17 178.64 2qey h PRO 82 N 8.32 0.00 0.00 4.34 0.13 -1.96 0.17 132.00 143.00 2qey h PRO 82 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2qey h PRO 82 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2qey h PRO 82 CO 0.95 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.70 2qey h ARG 83 N 0.00 0.00 -2.30 0.86 3.08 -2.01 -3.35 114.38 110.66 2qey h ARG 83 Ca 0.02 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.44 2qey h ARG 83 Cb 0.60 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.25 2qey h ARG 83 CO -0.00 0.01 -0.38 -3.47 -1.07 0.00 0.00 179.97 175.06 2qey n ASP 84 N -3.10 4.30 -0.00 7.04 2.03 0.60 -4.85 116.55 122.56 2qey n ASP 84 Ca 0.03 -3.48 0.05 0.00 0.52 0.00 0.00 54.79 51.90 2qey n ASP 84 Cb 0.44 -0.74 -0.07 0.00 -0.72 0.00 0.00 41.12 40.03 2qey n ASP 84 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2qey n VAL 85 N 0.73 0.00 -2.96 5.18 0.24 -1.26 -4.63 118.33 115.64 2qey n VAL 85 Ca 0.30 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2qey n VAL 85 Cb 0.39 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 2qey n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qey n ALA 86 N -1.61 0.00 -1.76 2.33 0.00 -1.26 -4.89 120.51 113.32 2qey n ALA 86 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2qey n ALA 86 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 2qey n ALA 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qey s ARG 87 N -1.80 4.66 -0.44 0.00 0.52 -1.26 -4.89 118.95 115.73 2qey s ARG 87 Ca 0.00 1.71 -0.02 0.00 -0.52 0.00 0.00 55.73 56.90 2qey s ARG 87 Cb 0.00 -3.16 0.12 0.00 0.52 0.00 0.00 34.95 32.43 2qey s ARG 87 CO 0.00 0.26 0.24 0.42 0.02 0.00 0.00 175.30 176.23 2qey s ILE 88 N -1.20 3.28 0.33 1.52 1.09 -1.26 -4.98 121.20 119.97 2qey s ILE 88 Ca 0.45 -2.26 0.01 0.00 -1.10 0.00 0.00 60.65 57.74 2qey s ILE 88 Cb -0.30 -3.24 0.24 0.00 -1.06 0.00 0.00 42.46 38.10 2qey s ILE 88 CO 0.38 -0.72 1.96 -0.33 -0.10 0.00 0.00 174.94 176.13 2qey h GLU 89 N 7.81 0.87 0.00 2.79 5.08 -1.96 -1.17 114.58 128.01 2qey h GLU 89 Ca -0.10 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2qey h GLU 89 Cb 1.03 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2qey h GLU 89 CO 0.69 0.63 0.00 0.66 -1.00 0.00 0.00 179.01 179.99 2qey h SER 90 N 0.89 0.00 -0.26 1.42 4.64 -2.02 -1.64 113.55 116.57 2qey h SER 90 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2qey h SER 90 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2qey h SER 90 CO -0.04 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.21 2qey n LYS 91 N -2.97 2.81 -3.83 4.77 5.02 -0.49 -4.93 118.16 118.55 2qey n LYS 91 Ca -0.02 -2.30 -0.36 0.00 -2.02 0.00 0.00 58.31 53.61 2qey n LYS 91 Cb 0.14 -1.46 -0.13 0.00 -0.02 0.00 0.00 35.03 33.56 2qey n LYS 91 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2qey s THR 92 N -1.74 3.67 0.14 -0.18 2.01 -0.62 -0.32 115.64 118.60 2qey s THR 92 Ca 0.28 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 61.65 2qey s THR 92 Cb 0.19 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 2qey s THR 92 CO 0.11 0.18 -0.13 0.68 -0.69 0.00 0.00 174.62 174.77 2qey s VAL 93 N 1.47 1.37 -0.07 3.82 -7.23 0.17 -4.44 120.40 115.49 2qey s VAL 93 Ca 0.03 -1.88 0.04 0.00 -1.81 0.00 0.00 61.98 58.35 2qey s VAL 93 Cb -0.16 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.08 2qey s VAL 93 CO 0.00 -0.52 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.45 2qey s ILE 94 N -2.56 1.59 -0.23 -0.62 1.01 -0.62 -1.18 121.20 118.58 2qey s ILE 94 Ca 0.13 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 2qey s ILE 94 Cb -0.02 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 2qey s ILE 94 CO 0.03 0.45 0.09 -0.63 0.00 0.00 0.00 174.94 174.88 2qey s ILE 95 N 0.26 4.64 0.06 2.92 1.09 0.43 -2.35 121.20 128.25 2qey s ILE 95 Ca -0.11 -0.07 -0.05 0.00 -1.10 0.00 0.00 60.65 59.33 2qey s ILE 95 Cb -0.15 -3.15 -0.02 0.00 -1.06 0.00 0.00 42.46 38.08 2qey s ILE 95 CO 0.05 0.36 0.07 0.42 -0.10 0.00 0.00 174.94 175.74 2qey s THR 96 N 1.24 0.18 0.16 2.92 -4.23 -1.25 -4.32 115.64 110.33 2qey s THR 96 Ca 0.05 -1.48 -0.21 0.00 -1.18 0.00 0.00 61.69 58.86 2qey s THR 96 Cb -0.14 -1.39 0.05 0.00 1.34 0.00 0.00 72.50 72.36 2qey s THR 96 CO 0.04 -0.82 1.63 1.56 -0.54 0.00 0.00 174.62 176.49 2qey h GLN 97 N 3.03 -0.20 -5.70 3.99 4.20 -1.98 -3.41 115.11 115.04 2qey h GLN 97 Ca -0.34 0.01 -0.67 0.00 0.06 0.00 0.00 58.65 57.72 2qey h GLN 97 Cb 1.17 0.05 -0.25 0.00 0.30 0.00 0.00 27.48 28.74 2qey h GLN 97 CO 0.61 -0.13 -0.76 -1.21 -0.67 0.00 0.00 178.83 176.66 2qey s GLU 98 N -6.10 3.07 0.30 1.46 0.41 -1.26 -4.93 118.70 111.66 2qey s GLU 98 Ca -0.15 -0.67 0.00 0.00 -0.41 0.00 0.00 54.97 53.74 2qey s GLU 98 Cb 0.13 -2.56 0.52 0.00 -1.78 0.00 0.00 34.13 30.44 2qey s GLU 98 CO 0.68 0.38 1.93 0.37 -0.49 0.00 0.00 175.26 178.13 2qey h GLN 99 N 6.17 1.01 -0.18 1.61 4.15 -1.93 -2.55 115.11 123.39 2qey h GLN 99 Ca -0.34 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.07 2qey h GLN 99 Cb 1.19 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 2qey h GLN 99 CO 0.54 0.67 0.17 -0.09 -1.93 0.00 0.00 178.83 178.19 2qey h ARG 100 N 1.04 0.00 0.00 1.69 2.43 -1.96 -0.12 114.38 117.47 2qey h ARG 100 Ca 0.36 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.51 2qey h ARG 100 Cb 0.10 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2qey h ARG 100 CO -0.12 0.00 -0.08 -0.44 -1.51 0.00 0.00 179.97 177.82 2qey h ASP 101 N 0.00 0.00 0.02 -3.80 3.32 -1.88 -3.34 116.42 110.74 2qey h ASP 101 Ca 0.09 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.75 2qey h ASP 101 Cb 0.43 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 2qey h ASP 101 CO -0.00 0.08 -2.26 0.41 -1.72 0.00 0.00 179.24 175.75 2qey n THR 102 N -3.15 1.56 -4.08 0.35 -1.04 -0.18 -1.18 114.28 106.56 2qey n THR 102 Ca 0.02 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.05 61.44 2qey n THR 102 Cb 0.45 -1.70 -0.12 0.00 -1.82 0.00 0.00 70.33 67.14 2qey n THR 102 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2qey s VAL 103 N -2.50 0.46 0.50 12.58 -7.23 -0.49 -1.98 120.40 121.74 2qey s VAL 103 Ca -0.33 -0.80 -0.22 0.00 -1.81 0.00 0.00 61.98 58.81 2qey s VAL 103 Cb 0.10 -0.50 -0.06 0.00 0.56 0.00 0.00 36.38 36.48 2qey s VAL 103 CO 0.59 -0.24 1.27 -2.84 -0.31 0.00 0.00 175.10 173.57 2qey s PRO 104 N -1.13 3.44 -0.35 4.82 0.02 -1.26 -3.88 135.00 136.66 2qey s PRO 104 Ca -0.07 2.02 -0.28 0.00 0.02 0.00 0.00 61.00 62.69 2qey s PRO 104 Cb -0.08 -2.34 0.02 0.00 0.02 0.00 0.00 34.50 32.13 2qey s PRO 104 CO 0.00 -0.89 1.06 0.42 -0.33 0.00 0.00 177.00 177.26 2qey s ILE 105 N -1.41 4.48 0.54 2.83 -1.09 -1.26 -4.88 121.20 120.41 2qey s ILE 105 Ca 0.68 1.58 -0.19 0.00 -2.23 0.00 0.00 60.65 60.49 2qey s ILE 105 Cb -0.35 -4.43 -0.06 0.00 -1.58 0.00 0.00 42.46 36.05 2qey s ILE 105 CO 0.42 -0.56 1.09 -2.84 -1.23 0.00 0.00 174.94 171.82 2qey s PRO 106 N 3.73 3.44 0.13 2.79 0.02 -1.26 -4.64 135.00 139.22 2qey s PRO 106 Ca 0.45 1.45 -0.12 0.00 0.02 0.00 0.00 61.00 62.79 2qey s PRO 106 Cb -0.11 -2.03 -0.07 0.00 0.02 0.00 0.00 34.50 32.31 2qey s PRO 106 CO 0.18 -0.74 1.44 -0.22 -0.33 0.00 0.00 177.00 177.33 2qey h LYS 107 N 1.10 0.89 0.00 5.54 3.64 -1.33 -3.42 116.57 122.98 2qey h LYS 107 Ca -0.49 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.38 2qey h LYS 107 Cb 1.24 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2qey h LYS 107 CO 0.57 1.15 -0.56 0.43 -2.27 0.00 0.00 179.45 178.77 2qey n SER 108 N -4.07 0.36 0.00 4.20 7.64 -1.26 -5.08 113.62 115.41 2qey n SER 108 Ca -0.03 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2qey n SER 108 Cb 0.57 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2qey n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qey n GLY 109 N 2.99 4.16 3.89 0.23 0.00 -1.26 -5.12 105.19 110.08 2qey n GLY 109 Ca 0.00 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 2qey n GLY 109 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qey s GLN 110 N 2.30 3.68 0.14 1.61 -2.07 -1.26 -4.58 119.66 119.48 2qey s GLN 110 Ca 0.00 0.04 -0.31 0.00 -1.82 0.00 0.00 55.36 53.27 2qey s GLN 110 Cb 0.00 -2.77 -0.08 0.00 -1.09 0.00 0.00 33.01 29.06 2qey s GLN 110 CO 0.00 0.41 1.40 0.45 -1.32 0.00 0.00 175.29 176.22 2qey s SER 111 N -2.44 6.80 0.00 12.60 0.15 -1.26 -4.90 113.70 124.66 2qey s SER 111 Ca 0.43 2.38 0.19 0.00 0.70 0.00 0.00 55.95 59.66 2qey s SER 111 Cb -0.12 -2.59 0.26 0.00 -1.71 0.00 0.00 66.02 61.86 2qey s SER 111 CO 0.24 -0.65 1.21 0.00 1.20 0.00 0.00 173.24 175.23 2qey n GLN 112 N 3.68 2.00 -0.35 5.44 6.02 -1.26 -4.54 117.38 128.37 2qey n GLN 112 Ca 0.11 -1.88 0.11 0.00 -0.01 0.00 0.00 57.00 55.33 2qey n GLN 112 Cb 0.42 -1.40 0.31 0.00 1.02 0.00 0.00 30.24 30.58 2qey n GLN 112 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2qey n LEU 113 N 1.15 3.74 0.00 1.08 4.77 -1.26 -4.84 117.00 121.64 2qey n LEU 113 Ca 0.14 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.26 2qey n LEU 113 Cb 0.51 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2qey n LEU 113 CO 0.13 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 2qey n GLY 114 N 1.61 0.98 2.76 -0.72 0.00 -1.26 -4.63 105.19 103.92 2qey n GLY 114 Ca 0.23 -1.33 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 2qey n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qey s ARG 115 N -1.91 0.73 0.14 1.61 3.52 -1.26 -4.86 118.95 116.93 2qey s ARG 115 Ca 0.00 -0.39 -0.19 0.00 -0.13 0.00 0.00 55.73 55.02 2qey s ARG 115 Cb 0.00 -1.99 -0.07 0.00 -1.56 0.00 0.00 34.95 31.32 2qey s ARG 115 CO 0.00 -0.59 0.64 -0.46 -0.81 0.00 0.00 175.30 174.08 2qey s TRP 116 N 1.84 3.74 -0.03 5.12 -0.00 -1.26 -1.59 118.94 126.76 2qey s TRP 116 Ca -0.00 1.32 0.03 0.00 -0.00 0.00 0.00 56.10 57.44 2qey s TRP 116 Cb -0.16 -2.55 0.00 0.00 -0.00 0.00 0.00 33.47 30.76 2qey s TRP 116 CO -0.08 0.48 -0.10 1.41 -0.00 0.00 0.00 176.95 178.67 2qey s MET 117 N -1.52 1.08 0.71 5.86 -2.45 -0.99 -4.89 119.30 117.10 2qey s MET 117 Ca 0.35 -0.33 -0.14 0.00 -1.25 0.00 0.00 55.69 54.33 2qey s MET 117 Cb -0.18 -0.99 0.03 0.00 1.25 0.00 0.00 34.83 34.93 2qey s MET 117 CO 0.21 0.11 1.14 -1.54 1.05 0.00 0.00 175.02 175.99 2qey s SER 118 N 0.26 4.57 0.23 1.11 1.04 -1.26 -3.97 113.70 115.68 2qey s SER 118 Ca -0.05 2.12 -0.07 0.00 0.48 0.00 0.00 55.95 58.44 2qey s SER 118 Cb -0.10 -2.56 0.35 0.00 0.10 0.00 0.00 66.02 63.81 2qey s SER 118 CO 0.01 -2.00 1.78 -0.33 0.98 0.00 0.00 173.24 173.68 2qey h GLU 119 N -0.33 0.60 0.12 4.02 5.08 -1.92 -1.05 114.58 121.10 2qey h GLU 119 Ca -0.46 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2qey h GLU 119 Cb 1.26 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2qey h GLU 119 CO 0.51 0.39 -0.19 1.49 -1.00 0.00 0.00 179.01 180.22 2qey h GLU 120 N 0.61 -0.36 -0.33 2.33 4.81 -1.97 -1.00 114.58 118.67 2qey h GLU 120 Ca 0.36 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.54 2qey h GLU 120 Cb 0.38 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2qey h GLU 120 CO -0.27 -0.24 -0.11 -0.44 -0.73 0.00 0.00 179.01 177.23 2qey h ASP 121 N -0.37 0.54 -0.47 1.04 3.32 -1.88 -2.79 116.42 115.82 2qey h ASP 121 Ca 0.02 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 56.80 2qey h ASP 121 Cb 0.38 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2qey h ASP 121 CO -0.09 0.69 -0.22 0.15 -1.72 0.00 0.00 179.24 178.05 2qey h PHE 122 N 0.52 1.13 -0.77 4.55 3.57 -0.93 -2.02 116.94 122.99 2qey h PHE 122 Ca 0.10 -0.27 -0.03 0.00 3.53 0.00 0.00 57.97 61.29 2qey h PHE 122 Cb 0.50 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2qey h PHE 122 CO 0.02 1.10 0.37 1.49 -2.23 0.00 0.00 178.31 179.05 2qey h GLU 123 N 0.85 1.11 -0.22 1.11 4.57 -1.01 0.44 114.58 121.43 2qey h GLU 123 Ca 0.11 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2qey h GLU 123 Cb 0.79 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 2qey h GLU 123 CO 0.07 0.86 0.11 0.87 -1.18 0.00 0.00 179.01 179.74 2qey h LYS 124 N 1.08 0.31 -0.65 1.92 1.57 -1.47 -1.12 116.57 118.22 2qey h LYS 124 Ca 0.26 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2qey h LYS 124 Cb 0.12 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2qey h LYS 124 CO -0.03 0.30 0.42 0.00 -0.57 0.00 0.00 179.45 179.58 2qey h ALA 125 N 0.99 0.83 0.11 3.86 0.00 -0.85 -1.94 119.26 122.25 2qey h ALA 125 Ca 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qey h ALA 125 Cb 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2qey h ALA 125 CO -0.01 0.26 -0.07 0.35 0.00 0.00 0.00 179.25 179.78 2qey h PHE 126 N 0.88 -0.18 0.00 0.00 3.57 -0.02 -2.78 116.94 118.41 2qey h PHE 126 Ca 0.24 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2qey h PHE 126 Cb -0.09 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 2qey h PHE 126 CO -0.03 -0.11 -0.05 -0.91 -2.23 0.00 0.00 178.31 174.98 2qey h ASN 127 N -0.18 0.00 -0.03 0.41 2.35 -1.06 -1.37 115.58 115.70 2qey h ASN 127 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2qey h ASN 127 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2qey h ASN 127 CO 0.00 0.05 0.00 0.00 -1.65 0.00 0.00 177.43 175.83 2qey n ALA 128 N -2.32 2.60 0.06 -0.83 0.00 -0.74 -4.53 120.51 114.74 2qey n ALA 128 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2qey n ALA 128 Cb 0.14 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2qey n ALA 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qey n ARG 129 N -0.18 0.00 0.08 0.00 1.74 -0.65 -4.97 116.66 112.69 2qey n ARG 129 Ca 0.19 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.12 2qey n ARG 129 Cb 0.27 -0.31 -0.08 0.00 -1.02 0.00 0.00 32.46 31.31 2qey n ARG 129 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2qey h PHE 130 N 0.00 0.64 -1.28 -1.55 -1.00 -1.53 -3.41 116.94 108.81 2qey h PHE 130 Ca 0.00 -0.39 -0.73 0.00 2.81 0.00 0.00 57.97 59.66 2qey h PHE 130 Cb 0.20 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.71 2qey h PHE 130 CO 0.00 1.24 1.06 -2.30 -1.61 0.00 0.00 178.31 176.70 2qey n PRO 131 N -3.69 1.00 -1.11 1.51 -0.02 -1.26 -1.18 135.00 130.25 2qey n PRO 131 Ca -0.08 0.34 -0.04 0.00 -2.02 0.00 0.00 63.50 61.70 2qey n PRO 131 Cb 0.91 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 32.26 2qey n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qey n GLY 132 N 5.07 0.55 0.22 -1.23 0.00 0.19 -4.90 105.19 105.08 2qey n GLY 132 Ca 0.33 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.36 2qey n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qey n MET 134 N -2.71 3.23 -1.66 0.00 2.81 -0.15 -2.91 117.12 115.74 2qey n MET 134 Ca 0.01 -2.65 -0.50 0.00 -1.81 0.00 0.00 57.70 52.75 2qey n MET 134 Cb 0.25 -1.67 -0.05 0.00 -0.71 0.00 0.00 33.22 31.04 2qey n MET 134 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2qey n LYS 135 N 0.98 1.73 -0.99 0.03 3.00 -0.99 -0.62 118.16 121.30 2qey n LYS 135 Ca 0.22 0.63 0.00 0.00 -0.00 0.00 0.00 58.31 59.16 2qey n LYS 135 Cb 0.72 -2.37 0.00 0.00 0.00 0.00 0.00 35.03 33.39 2qey n LYS 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qey n GLY 136 N 3.50 0.88 3.58 3.14 0.00 -1.26 0.10 105.19 115.12 2qey n GLY 136 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 2qey n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qey s ARG 137 N -0.01 2.01 -0.07 1.61 0.52 0.21 -4.77 118.95 118.45 2qey s ARG 137 Ca 0.00 -1.64 -0.25 0.00 -0.52 0.00 0.00 55.73 53.32 2qey s ARG 137 Cb 0.00 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.49 2qey s ARG 137 CO 0.00 0.29 0.79 0.99 0.02 0.00 0.00 175.30 177.39 2qey s THR 138 N -2.45 4.97 -0.34 0.02 2.01 -1.26 0.00 115.64 118.59 2qey s THR 138 Ca 0.32 1.62 -0.22 0.00 0.31 0.00 0.00 61.69 63.72 2qey s THR 138 Cb -0.04 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.35 2qey s THR 138 CO 0.18 0.18 0.74 -0.32 -0.69 0.00 0.00 174.62 174.72 2qey s MET 139 N 1.13 3.80 0.01 4.92 1.75 0.80 -4.24 119.30 127.46 2qey s MET 139 Ca 0.41 0.32 -0.19 0.00 -1.25 0.00 0.00 55.69 54.98 2qey s MET 139 Cb -0.18 -3.78 -0.06 0.00 2.84 0.00 0.00 34.83 33.65 2qey s MET 139 CO 0.19 -0.77 0.55 0.71 -0.65 0.00 0.00 175.02 175.06 2qey s TYR 140 N 2.95 3.72 -0.35 4.11 1.51 0.16 -0.91 117.35 128.54 2qey s TYR 140 Ca 0.30 1.17 -0.09 0.00 -1.01 0.00 0.00 57.07 57.44 2qey s TYR 140 Cb -0.14 -2.52 0.03 0.00 -0.11 0.00 0.00 41.96 39.22 2qey s TYR 140 CO 0.15 0.46 0.17 0.08 -1.11 0.00 0.00 175.55 175.30 2qey s VAL 141 N -0.56 4.33 -0.48 0.71 1.01 0.75 -1.59 120.40 124.56 2qey s VAL 141 Ca 0.29 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 2qey s VAL 141 Cb -0.18 -3.40 0.11 0.00 0.00 0.00 0.00 36.38 32.92 2qey s VAL 141 CO 0.17 -0.18 0.38 -0.63 0.00 0.00 0.00 175.10 174.84 2qey s ILE 142 N 1.51 4.51 -0.28 2.22 1.01 0.18 -1.27 121.20 129.08 2qey s ILE 142 Ca 0.01 -1.63 -0.26 0.00 0.00 0.00 0.00 60.65 58.78 2qey s ILE 142 Cb -0.19 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2qey s ILE 142 CO 0.05 -0.76 0.89 -2.16 0.00 0.00 0.00 174.94 172.97 2qey s PRO 143 N 1.44 4.08 0.03 2.79 0.05 -1.26 -0.55 135.00 141.59 2qey s PRO 143 Ca 0.05 0.87 0.02 0.00 0.05 0.00 0.00 61.00 61.99 2qey s PRO 143 Cb -0.27 -3.70 -0.02 0.00 0.05 0.00 0.00 34.50 30.57 2qey s PRO 143 CO 0.01 -0.68 -0.08 -0.59 0.05 0.00 0.00 177.00 175.71 2qey s PHE 144 N 3.11 0.66 -0.13 0.56 -0.71 -0.28 -1.35 117.98 119.83 2qey s PHE 144 Ca 0.37 -0.42 -0.04 0.00 -1.04 0.00 0.00 56.93 55.80 2qey s PHE 144 Cb -0.14 -0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 41.24 2qey s PHE 144 CO 0.11 -0.06 0.02 0.45 -1.34 0.00 0.00 175.22 174.40 2qey s SER 145 N -1.29 5.34 -0.71 1.98 0.15 0.66 -0.28 113.70 119.54 2qey s SER 145 Ca -0.07 0.08 -0.16 0.00 0.70 0.00 0.00 55.95 56.50 2qey s SER 145 Cb -0.08 -1.74 0.16 0.00 -1.71 0.00 0.00 66.02 62.64 2qey s SER 145 CO 0.00 0.27 0.73 -0.04 1.20 0.00 0.00 173.24 175.40 2qey s MET 146 N -0.22 3.32 0.00 5.44 -1.94 0.10 -2.87 119.30 123.13 2qey s MET 146 Ca 0.06 -1.91 0.00 0.00 -1.71 0.00 0.00 55.69 52.13 2qey s MET 146 Cb -0.12 -4.42 0.00 0.00 2.01 0.00 0.00 34.83 32.30 2qey s MET 146 CO 0.02 -1.42 0.00 0.41 -0.01 0.00 0.00 175.02 174.02 2qey n GLY 147 N 4.80 2.53 3.65 -0.03 0.00 0.19 -2.35 105.19 113.98 2qey n GLY 147 Ca 0.03 -2.03 -0.45 0.00 0.00 0.00 0.00 46.02 43.57 2qey n GLY 147 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qey n PRO 148 N -0.05 1.79 -0.25 1.61 -0.02 -1.26 -4.86 135.00 131.95 2qey n PRO 148 Ca 0.00 0.63 0.05 0.00 -2.02 0.00 0.00 63.50 62.17 2qey n PRO 148 Cb 0.00 -2.19 0.16 0.00 -0.02 0.00 0.00 33.50 31.46 2qey n PRO 148 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2qey h LEU 149 N 3.19 -0.26 -0.68 2.45 4.07 -1.95 -0.88 115.31 121.25 2qey h LEU 149 Ca -0.44 0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.70 2qey h LEU 149 Cb 1.30 0.31 0.00 0.00 1.08 0.00 0.00 40.66 43.35 2qey h LEU 149 CO 0.68 -0.15 -0.00 0.61 -1.08 0.00 0.00 178.44 178.50 2qey n GLY 150 N -1.40 -0.30 3.73 0.83 0.00 -1.26 -4.94 105.19 101.85 2qey n GLY 150 Ca 0.14 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2qey n GLY 150 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qey s SER 151 N -2.01 6.75 0.25 1.61 0.15 -0.34 -4.91 113.70 115.20 2qey s SER 151 Ca 0.41 2.51 0.22 0.00 0.70 0.00 0.00 55.95 59.78 2qey s SER 151 Cb 0.21 -2.61 0.97 0.00 -1.71 0.00 0.00 66.02 62.88 2qey s SER 151 CO 0.35 -0.65 1.66 -0.81 1.20 0.00 0.00 173.24 174.99 2qey n PRO 152 N 2.94 0.16 0.00 5.44 -0.04 -1.26 -2.14 135.00 140.11 2qey n PRO 152 Ca 0.08 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 64.13 2qey n PRO 152 Cb 0.41 -1.85 0.18 0.00 -0.04 0.00 0.00 33.50 32.20 2qey n PRO 152 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2qey n LEU 153 N -2.17 1.11 -4.82 1.53 4.32 -1.26 -4.96 117.00 110.75 2qey n LEU 153 Ca 0.01 -0.34 -0.33 0.00 -0.02 0.00 0.00 56.01 55.33 2qey n LEU 153 Cb 0.17 -0.11 -0.06 0.00 -1.62 0.00 0.00 43.42 41.80 2qey n LEU 153 CO 0.16 0.23 0.66 0.00 -1.22 0.00 0.00 177.39 177.22 2qey s ALA 154 N -2.71 3.01 0.08 -1.18 0.00 -0.91 -4.95 121.76 115.10 2qey s ALA 154 Ca 0.17 0.43 0.07 0.00 0.00 0.00 0.00 51.96 52.62 2qey s ALA 154 Cb 0.18 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 2qey s ALA 154 CO 0.64 0.02 -0.18 0.15 0.00 0.00 0.00 175.76 176.38 2qey s LYS 155 N -3.25 1.03 -0.04 0.00 -0.14 -0.99 -4.98 119.74 111.36 2qey s LYS 155 Ca 0.63 -1.03 -0.01 0.00 -1.36 0.00 0.00 55.97 54.20 2qey s LYS 155 Cb -0.10 -1.17 -0.04 0.00 -1.68 0.00 0.00 37.83 34.84 2qey s LYS 155 CO 0.16 0.27 0.03 0.42 -0.76 0.00 0.00 175.35 175.47 2qey s ILE 156 N -1.13 4.47 0.18 2.17 1.01 -1.26 0.02 121.20 126.66 2qey s ILE 156 Ca 0.03 -0.35 0.07 0.00 0.00 0.00 0.00 60.65 60.40 2qey s ILE 156 Cb -0.10 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 2qey s ILE 156 CO 0.03 0.48 -0.14 -0.83 0.00 0.00 0.00 174.94 174.48 2qey s GLY 157 N -1.30 1.30 -0.21 6.18 0.00 0.61 -1.28 107.32 112.63 2qey s GLY 157 Ca 0.18 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.35 2qey s GLY 157 CO 0.08 -1.64 -0.07 -0.42 0.00 0.00 0.00 173.10 171.04 2qey s ILE 158 N -2.81 1.51 -0.21 0.90 -1.09 -0.62 -1.12 121.20 117.76 2qey s ILE 158 Ca 0.18 -1.04 -0.09 0.00 -2.23 0.00 0.00 60.65 57.48 2qey s ILE 158 Cb -0.01 -1.68 -0.04 0.00 -1.58 0.00 0.00 42.46 39.14 2qey s ILE 158 CO 0.05 0.05 0.10 -0.70 -1.23 0.00 0.00 174.94 173.21 2qey s GLU 159 N 1.43 3.98 -0.21 2.79 2.12 0.29 -0.83 118.70 128.28 2qey s GLU 159 Ca -0.03 -0.33 -0.11 0.00 0.36 0.00 0.00 54.97 54.86 2qey s GLU 159 Cb -0.17 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 2qey s GLU 159 CO -0.07 0.15 0.18 -0.51 -0.54 0.00 0.00 175.26 174.47 2qey s LEU 160 N 0.75 4.18 0.01 2.70 1.43 0.10 0.50 118.68 128.36 2qey s LEU 160 Ca 0.05 0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 2qey s LEU 160 Cb -0.13 -2.17 -0.00 0.00 0.03 0.00 0.00 46.19 43.92 2qey s LEU 160 CO 0.02 0.11 0.12 0.28 0.23 0.00 0.00 176.35 177.11 2qey s THR 161 N 0.66 0.09 -1.11 5.49 -1.32 -0.62 -0.39 115.64 118.45 2qey s THR 161 Ca 0.10 -0.77 0.18 0.00 -1.21 0.00 0.00 61.69 59.99 2qey s THR 161 Cb -0.12 -0.49 0.70 0.00 -1.51 0.00 0.00 72.50 71.08 2qey s THR 161 CO 0.02 -0.42 1.61 -0.90 -2.21 0.00 0.00 174.62 172.72 2qey n ASP 162 N 1.35 4.67 -4.20 8.08 5.68 -1.24 0.39 116.55 131.28 2qey n ASP 162 Ca -0.22 -2.44 -0.34 0.00 -0.50 0.00 0.00 54.79 51.28 2qey n ASP 162 Cb 0.56 -0.57 -0.14 0.00 -1.14 0.00 0.00 41.12 39.83 2qey n ASP 162 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2qey s SER 163 N -0.96 4.40 0.48 -1.12 0.15 -1.26 -4.78 113.70 110.62 2qey s SER 163 Ca 0.50 -0.93 0.15 0.00 0.70 0.00 0.00 55.95 56.37 2qey s SER 163 Cb 0.32 -1.67 1.14 0.00 -1.71 0.00 0.00 66.02 64.10 2qey s SER 163 CO 0.24 -0.15 2.08 -0.65 1.20 0.00 0.00 173.24 175.96 2qey h PRO 164 N 8.01 0.01 -0.92 5.44 0.11 -1.94 -2.33 132.00 140.39 2qey h PRO 164 Ca -0.31 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.84 2qey h PRO 164 Cb 1.10 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 2qey h PRO 164 CO 0.57 0.09 0.59 -0.92 -0.21 0.00 0.00 178.00 178.12 2qey h TYR 165 N 0.01 1.10 -0.45 0.65 5.03 -1.96 -1.92 116.97 119.43 2qey h TYR 165 Ca 0.00 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.28 2qey h TYR 165 Cb 0.15 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 38.05 2qey h TYR 165 CO 0.00 0.61 0.04 0.28 -1.32 0.00 0.00 178.16 177.77 2qey h VAL 166 N 1.11 1.25 0.15 1.81 2.07 -1.76 -2.02 116.25 118.87 2qey h VAL 166 Ca 0.38 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2qey h VAL 166 Cb 0.06 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2qey h VAL 166 CO -0.14 0.34 -0.12 0.58 0.02 0.00 0.00 177.57 178.24 2qey h VAL 167 N 0.63 0.72 -0.66 2.57 2.07 -1.24 0.14 116.25 120.49 2qey h VAL 167 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 2qey h VAL 167 Cb 0.44 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2qey h VAL 167 CO 0.02 0.00 0.43 0.00 0.02 0.00 0.00 177.57 178.04 2qey h ALA 168 N 0.55 0.84 -0.14 1.67 0.00 -1.37 -1.70 119.26 119.11 2qey h ALA 168 Ca -0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2qey h ALA 168 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2qey h ALA 168 CO -0.02 0.24 -0.50 0.77 0.00 0.00 0.00 179.25 179.75 2qey h SER 169 N 0.87 0.41 0.42 0.00 0.02 -1.20 -2.96 113.55 111.11 2qey h SER 169 Ca 0.25 -0.20 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 2qey h SER 169 Cb -0.08 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2qey h SER 169 CO -0.06 0.84 -0.52 0.24 -1.14 0.00 0.00 176.83 176.19 2qey h MET 170 N 0.30 0.11 -0.68 3.45 2.86 -0.51 -0.72 114.93 119.74 2qey h MET 170 Ca 0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2qey h MET 170 Cb 0.98 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 2qey h MET 170 CO 0.08 0.60 0.38 -0.09 1.06 0.00 0.00 176.91 178.94 2qey h ARG 171 N 0.09 0.93 0.02 1.72 2.43 -1.15 -0.02 114.38 118.40 2qey h ARG 171 Ca -0.00 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 2qey h ARG 171 Cb 0.95 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2qey h ARG 171 CO 0.07 0.68 -0.23 0.82 -1.51 0.00 0.00 179.97 179.81 2qey h ILE 172 N 0.94 1.62 0.00 1.20 2.04 -1.43 -3.38 117.51 118.51 2qey h ILE 172 Ca 0.24 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.98 2qey h ILE 172 Cb 0.01 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 2qey h ILE 172 CO -0.04 0.57 -0.07 0.24 0.00 0.00 0.00 178.15 178.85 2qey h MET 173 N -0.66 0.00 -5.01 2.37 2.86 -1.06 -2.98 114.93 110.45 2qey h MET 173 Ca -0.03 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.23 2qey h MET 173 Cb 1.06 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.58 2qey h MET 173 CO 0.04 0.00 -0.63 0.95 1.06 0.00 0.00 176.91 178.33 2qey s THR 174 N -3.20 0.86 -0.41 2.22 -4.23 -0.03 -0.29 115.64 110.56 2qey s THR 174 Ca 0.07 -2.01 -0.25 0.00 -1.18 0.00 0.00 61.69 58.32 2qey s THR 174 Cb 0.07 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.41 2qey s THR 174 CO 0.67 -0.16 0.89 -0.13 -0.54 0.00 0.00 174.62 175.34 2qey s ARG 175 N -3.94 3.68 -0.03 3.99 3.00 -1.14 -4.55 118.95 119.98 2qey s ARG 175 Ca 0.33 0.33 0.06 0.00 0.00 0.00 0.00 55.73 56.44 2qey s ARG 175 Cb 0.07 -3.86 -0.01 0.00 0.00 0.00 0.00 34.95 31.15 2qey s ARG 175 CO 0.11 -1.04 -0.19 1.41 0.00 0.00 0.00 175.30 175.59 2qey s MET 176 N 3.48 1.70 0.00 3.54 1.75 -1.26 -0.24 119.30 128.27 2qey s MET 176 Ca 0.36 -0.69 0.00 0.00 -1.25 0.00 0.00 55.69 54.11 2qey s MET 176 Cb -0.12 -1.58 0.00 0.00 2.84 0.00 0.00 34.83 35.98 2qey s MET 176 CO 0.21 0.37 0.00 0.41 -0.65 0.00 0.00 175.02 175.36 2qey n GLY 177 N 2.77 0.92 0.36 2.11 0.00 -0.46 -4.23 105.19 106.66 2qey n GLY 177 Ca -0.16 -1.94 -0.04 0.00 0.00 0.00 0.00 46.02 43.88 2qey n GLY 177 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qey h THR 178 N 0.00 1.26 -0.78 2.61 2.02 -1.60 -2.39 112.91 114.03 2qey h THR 178 Ca 0.00 -0.65 0.14 0.00 0.77 0.00 0.00 66.41 66.67 2qey h THR 178 Cb 0.00 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.39 2qey h THR 178 CO 0.00 0.29 0.52 0.77 0.37 0.00 0.00 175.52 177.47 2qey h SER 179 N 1.27 0.47 -0.18 4.18 4.64 -1.91 -1.72 113.55 120.30 2qey h SER 179 Ca 0.32 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.64 2qey h SER 179 Cb 0.03 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2qey h SER 179 CO -0.05 0.25 0.02 0.58 -0.87 0.00 0.00 176.83 176.76 2qey h VAL 180 N 0.51 1.23 -0.73 0.95 2.07 -1.74 -1.95 116.25 116.58 2qey h VAL 180 Ca 0.39 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 67.17 2qey h VAL 180 Cb 0.77 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 2qey h VAL 180 CO -0.14 0.23 0.47 -0.07 0.02 0.00 0.00 177.57 178.08 2qey h LEU 181 N 0.09 0.78 -1.07 2.57 3.38 -1.38 0.74 115.31 120.42 2qey h LEU 181 Ca 0.05 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2qey h LEU 181 Cb 0.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2qey h LEU 181 CO 0.00 0.55 -0.25 -0.33 0.09 0.00 0.00 178.44 178.50 2qey h GLU 182 N 0.92 0.35 0.07 1.13 5.08 -1.28 -2.63 114.58 118.23 2qey h GLU 182 Ca 0.29 -0.12 -0.25 0.00 -1.00 0.00 0.00 59.36 58.28 2qey h GLU 182 Cb -0.01 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2qey h GLU 182 CO -0.10 0.58 -1.10 0.00 -1.00 0.00 0.00 179.01 177.40 2qey h ALA 183 N 1.43 0.25 0.09 3.43 0.00 -1.01 -3.35 119.26 120.10 2qey h ALA 183 Ca 0.05 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 54.13 2qey h ALA 183 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2qey h ALA 183 CO 0.04 0.96 -0.04 1.25 0.00 0.00 0.00 179.25 181.46 2qey h LEU 184 N 0.10 -0.10 0.00 0.00 5.85 -0.60 -3.48 115.31 117.08 2qey h LEU 184 Ca -0.10 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2qey h LEU 184 Cb 1.79 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.85 2qey h LEU 184 CO 0.18 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.92 2qey n GLY 185 N -0.83 2.94 0.86 3.75 0.00 -1.01 -1.37 105.19 109.53 2qey n GLY 185 Ca -0.08 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.80 2qey n GLY 185 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qey n ASP 186 N 2.19 2.46 -4.65 1.61 10.43 -1.26 -4.74 116.55 122.59 2qey n ASP 186 Ca 0.00 -2.17 -0.28 0.00 2.57 0.00 0.00 54.79 54.90 2qey n ASP 186 Cb 0.00 -0.38 0.19 0.00 1.84 0.00 0.00 41.12 42.77 2qey n ASP 186 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2qey s GLY 187 N -0.76 1.56 0.49 0.44 0.00 -0.47 -5.03 107.32 103.54 2qey s GLY 187 Ca 0.25 -0.37 -0.19 0.00 0.00 0.00 0.00 44.72 44.41 2qey s GLY 187 CO 0.13 0.27 1.00 -1.83 0.00 0.00 0.00 173.10 172.66 2qey s GLU 188 N -4.92 3.93 0.08 2.90 -1.05 -1.26 -5.05 118.70 113.33 2qey s GLU 188 Ca 0.66 1.15 -0.15 0.00 -0.15 0.00 0.00 54.97 56.48 2qey s GLU 188 Cb -0.19 -2.13 0.03 0.00 -0.44 0.00 0.00 34.13 31.40 2qey s GLU 188 CO 0.58 -0.30 0.36 -0.59 0.95 0.00 0.00 175.26 176.26 2qey s PHE 189 N -2.28 -0.15 -0.15 4.83 -0.71 -1.26 -4.65 117.98 113.61 2qey s PHE 189 Ca 0.63 -0.08 -0.23 0.00 -1.04 0.00 0.00 56.93 56.20 2qey s PHE 189 Cb -0.12 0.17 -0.02 0.00 -1.21 0.00 0.00 43.02 41.84 2qey s PHE 189 CO 0.23 -0.61 0.73 0.42 -1.34 0.00 0.00 175.22 174.65 2qey s ILE 190 N -3.26 4.97 -0.35 -4.49 -1.09 -0.40 -4.96 121.20 111.62 2qey s ILE 190 Ca -0.00 1.44 -0.28 0.00 -2.23 0.00 0.00 60.65 59.58 2qey s ILE 190 Cb 0.01 -4.05 0.02 0.00 -1.58 0.00 0.00 42.46 36.86 2qey s ILE 190 CO -0.08 0.12 1.01 -0.54 -1.23 0.00 0.00 174.94 174.22 2qey s LYS 191 N 1.70 3.94 -0.22 2.79 1.02 -0.61 -1.58 119.74 126.77 2qey s LYS 191 Ca 0.35 0.81 -0.01 0.00 0.02 0.00 0.00 55.97 57.14 2qey s LYS 191 Cb -0.17 -3.78 0.02 0.00 -0.52 0.00 0.00 37.83 33.38 2qey s LYS 191 CO 0.13 -0.96 -0.10 0.00 -0.92 0.00 0.00 175.35 173.50 2qey s LEU 193 N 1.33 2.38 -0.00 0.00 2.96 0.39 -0.72 118.68 125.02 2qey s LEU 193 Ca 0.02 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 2qey s LEU 193 Cb -0.15 -1.52 -0.00 0.00 0.50 0.00 0.00 46.19 45.01 2qey s LEU 193 CO -0.07 0.12 -0.04 -2.28 -1.32 0.00 0.00 176.35 172.75 2qey s HIS 194 N 0.62 0.41 -0.06 5.38 5.65 0.48 -0.39 115.29 127.38 2qey s HIS 194 Ca -0.10 -0.08 -0.06 0.00 0.25 0.00 0.00 55.06 55.08 2qey s HIS 194 Cb -0.16 -0.27 0.02 0.00 -1.18 0.00 0.00 32.58 30.99 2qey s HIS 194 CO 0.03 -0.01 0.16 0.45 -0.65 0.00 0.00 174.74 174.72 2qey s SER 195 N -0.06 -0.17 0.33 9.88 0.15 -0.68 -3.67 113.70 119.47 2qey s SER 195 Ca 0.01 0.33 0.26 0.00 0.70 0.00 0.00 55.95 57.25 2qey s SER 195 Cb -0.02 0.34 1.08 0.00 -1.71 0.00 0.00 66.02 65.70 2qey s SER 195 CO -0.00 -0.06 1.78 -0.37 1.20 0.00 0.00 173.24 175.79 2qey h VAL 196 N 4.88 0.00 -0.68 4.45 -1.51 -1.88 -0.59 116.25 120.92 2qey h VAL 196 Ca -0.25 -0.30 -0.05 0.00 -1.23 0.00 0.00 66.70 64.87 2qey h VAL 196 Cb 1.20 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 2qey h VAL 196 CO 0.40 0.00 -0.07 0.61 -1.23 0.00 0.00 177.57 177.28 2qey n GLY 197 N 0.01 0.39 2.30 5.19 0.00 -1.26 -2.52 105.19 109.30 2qey n GLY 197 Ca 0.02 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 2qey n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qey s PRO 199 N -1.82 2.72 -0.03 0.00 0.04 -1.14 -4.86 135.00 129.90 2qey s PRO 199 Ca 0.38 1.98 -0.14 0.00 0.04 0.00 0.00 61.00 63.26 2qey s PRO 199 Cb 0.18 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.79 2qey s PRO 199 CO -0.08 -1.45 0.37 -0.51 0.04 0.00 0.00 177.00 175.38 2qey s LEU 200 N -4.24 4.45 0.47 -3.56 1.43 0.11 -3.47 118.68 113.87 2qey s LEU 200 Ca 0.81 0.88 -0.23 0.00 -1.03 0.00 0.00 54.13 54.56 2qey s LEU 200 Cb -0.35 -2.52 -0.07 0.00 0.03 0.00 0.00 46.19 43.28 2qey s LEU 200 CO 0.37 0.31 1.18 -2.16 0.23 0.00 0.00 176.35 176.28 2qey s PRO 201 N -0.91 3.67 0.05 1.29 0.04 -1.26 -4.35 135.00 133.52 2qey s PRO 201 Ca 0.22 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2qey s PRO 201 Cb -0.16 -2.36 -0.08 0.00 0.04 0.00 0.00 34.50 31.94 2qey s PRO 201 CO 0.12 -0.64 1.67 -0.51 0.04 0.00 0.00 177.00 177.67 2qey s LEU 202 N -3.13 4.36 0.25 -3.56 1.43 -1.23 -4.90 118.68 111.91 2qey s LEU 202 Ca 0.65 2.46 0.13 0.00 -1.03 0.00 0.00 54.13 56.34 2qey s LEU 202 Cb -0.29 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.45 2qey s LEU 202 CO 0.35 -0.90 1.44 0.11 0.23 0.00 0.00 176.35 177.59 2qey h LYS 203 N 8.59 0.00 -5.20 1.70 1.57 -1.95 -3.46 116.57 117.83 2qey h LYS 203 Ca -0.42 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 57.96 2qey h LYS 203 Cb 1.20 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.29 2qey h LYS 203 CO 0.93 0.62 -0.77 0.15 -0.57 0.00 0.00 179.45 179.81 2qey s LYS 204 N -2.99 0.78 0.29 3.15 1.02 -1.26 -5.13 119.74 115.60 2qey s LYS 204 Ca 0.03 -0.88 -0.30 0.00 0.02 0.00 0.00 55.97 54.83 2qey s LYS 204 Cb 0.09 -0.75 -0.12 0.00 -0.52 0.00 0.00 37.83 36.53 2qey s LYS 204 CO 0.76 0.17 1.53 -0.35 -0.92 0.00 0.00 175.35 176.54 2qey n PRO 205 N 1.43 2.52 -2.51 -1.68 -0.04 -1.26 -4.96 135.00 128.49 2qey n PRO 205 Ca -0.21 0.89 -0.42 0.00 -0.04 0.00 0.00 63.50 63.72 2qey n PRO 205 Cb 0.54 -2.64 -0.03 0.00 -0.04 0.00 0.00 33.50 31.34 2qey n PRO 205 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2qey s LEU 206 N -0.44 4.34 -0.21 1.53 2.96 -1.26 -5.03 118.68 120.57 2qey s LEU 206 Ca 0.64 1.86 -0.06 0.00 -0.22 0.00 0.00 54.13 56.35 2qey s LEU 206 Cb -0.53 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.56 2qey s LEU 206 CO 0.50 -0.45 0.03 -0.69 -1.32 0.00 0.00 176.35 174.42 2qey s VAL 207 N 1.39 4.19 -1.40 1.68 1.01 -1.26 -4.57 120.40 121.44 2qey s VAL 207 Ca 0.56 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.23 2qey s VAL 207 Cb -0.26 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.26 2qey s VAL 207 CO 0.27 0.41 0.58 0.59 0.00 0.00 0.00 175.10 176.94 2qey n ASN 208 N 4.33 -4.71 -2.93 3.32 5.03 -1.26 -1.60 115.26 117.46 2qey n ASN 208 Ca -0.17 -0.38 -0.19 0.00 0.87 0.00 0.00 54.58 54.71 2qey n ASN 208 Cb 0.52 -3.84 0.00 0.00 -1.02 0.00 0.00 39.78 35.44 2qey n ASN 208 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2qey n ASN 209 N -2.43 -4.24 -3.96 6.41 5.03 -1.26 -4.77 115.26 110.05 2qey n ASN 209 Ca -0.05 -0.14 -0.31 0.00 0.87 0.00 0.00 54.58 54.96 2qey n ASN 209 Cb 0.57 -3.52 -0.15 0.00 -1.02 0.00 0.00 39.78 35.65 2qey n ASN 209 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 2qey s TRP 210 N -2.85 3.09 0.04 3.10 -0.11 -0.63 -4.68 118.94 116.90 2qey s TRP 210 Ca 0.22 -2.49 -0.30 0.00 1.22 0.00 0.00 56.10 54.75 2qey s TRP 210 Cb -0.11 -2.37 -0.06 0.00 -1.50 0.00 0.00 33.47 29.43 2qey s TRP 210 CO 0.27 -0.90 1.35 0.00 -4.62 0.00 0.00 176.95 173.05 2qey s ALA 211 N 1.14 3.55 -0.06 5.86 0.00 -1.26 -4.35 121.76 126.63 2qey s ALA 211 Ca 0.06 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 2qey s ALA 211 Cb -0.19 -3.55 0.11 0.00 0.00 0.00 0.00 23.12 19.49 2qey s ALA 211 CO -0.11 -0.74 0.90 0.00 0.00 0.00 0.00 175.76 175.81 2qey s ASN 213 N -1.83 3.50 0.18 0.00 3.04 0.39 -4.87 114.94 115.35 2qey s ASN 213 Ca 0.01 -3.36 -0.13 0.00 0.04 0.00 0.00 52.86 49.41 2qey s ASN 213 Cb -0.01 -1.14 0.17 0.00 -1.54 0.00 0.00 41.25 38.73 2qey s ASN 213 CO -0.03 -0.15 1.75 -0.65 -3.04 0.00 0.00 177.10 174.98 2qey h PRO 214 N 5.74 0.34 -0.04 0.43 0.11 -1.93 -1.31 132.00 135.34 2qey h PRO 214 Ca 0.15 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 2qey h PRO 214 Cb 0.84 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 2qey h PRO 214 CO 0.56 0.23 -0.08 0.93 -0.21 0.00 0.00 178.00 179.43 2qey h GLU 215 N 0.35 0.06 -0.43 1.05 3.07 -1.94 -2.53 114.58 114.21 2qey h GLU 215 Ca 0.24 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 2qey h GLU 215 Cb 0.25 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2qey h GLU 215 CO -0.24 0.15 0.00 1.28 -1.40 0.00 0.00 179.01 178.80 2qey n LEU 216 N -4.41 3.17 -4.71 1.33 4.77 -0.97 -5.01 117.00 111.18 2qey n LEU 216 Ca -0.02 -1.89 -0.42 0.00 -0.03 0.00 0.00 56.01 53.65 2qey n LEU 216 Cb 0.18 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2qey n LEU 216 CO 0.36 0.78 1.40 -0.89 -1.33 0.00 0.00 177.39 177.70 2qey s THR 217 N -1.03 2.23 -0.22 -5.08 2.01 -0.53 -4.62 115.64 108.40 2qey s THR 217 Ca 0.31 0.06 -0.08 0.00 0.31 0.00 0.00 61.69 62.28 2qey s THR 217 Cb 0.16 -3.04 0.09 0.00 0.01 0.00 0.00 72.50 69.73 2qey s THR 217 CO 0.21 0.00 0.48 -0.22 -0.69 0.00 0.00 174.62 174.41 2qey s LEU 218 N 1.68 -0.68 -0.38 4.42 2.96 -0.31 -4.85 118.68 121.53 2qey s LEU 218 Ca 0.76 1.12 -0.03 0.00 -0.22 0.00 0.00 54.13 55.76 2qey s LEU 218 Cb -0.48 1.60 0.09 0.00 0.50 0.00 0.00 46.19 47.90 2qey s LEU 218 CO 0.33 -0.22 0.15 -0.63 -1.32 0.00 0.00 176.35 174.66 2qey s ILE 219 N 2.42 3.32 0.01 6.68 1.09 0.57 -1.31 121.20 133.98 2qey s ILE 219 Ca -0.04 -1.79 0.02 0.00 -1.10 0.00 0.00 60.65 57.74 2qey s ILE 219 Cb -0.11 -3.15 -0.04 0.00 -1.06 0.00 0.00 42.46 38.11 2qey s ILE 219 CO -0.14 -0.51 -0.00 0.00 -0.10 0.00 0.00 174.94 174.18 2qey s ALA 220 N 1.20 3.27 -0.07 9.38 0.00 0.13 -0.65 121.76 135.01 2qey s ALA 220 Ca 0.04 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2qey s ALA 220 Cb -0.22 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.61 2qey s ALA 220 CO -0.03 0.65 -0.14 -1.01 0.00 0.00 0.00 175.76 175.24 2qey s HIS 221 N -1.12 1.62 -0.60 0.00 3.76 -0.33 -1.21 115.29 117.41 2qey s HIS 221 Ca 0.20 -0.61 0.05 0.00 -0.15 0.00 0.00 55.06 54.55 2qey s HIS 221 Cb -0.12 -1.17 0.17 0.00 1.11 0.00 0.00 32.58 32.58 2qey s HIS 221 CO 0.11 -0.30 0.44 -0.51 -0.85 0.00 0.00 174.74 173.63 2qey s LEU 222 N 0.62 3.66 0.36 0.89 1.02 0.40 -0.43 118.68 125.20 2qey s LEU 222 Ca -0.15 -3.57 0.04 0.00 0.02 0.00 0.00 54.13 50.48 2qey s LEU 222 Cb -0.16 -1.23 0.70 0.00 0.02 0.00 0.00 46.19 45.52 2qey s LEU 222 CO 0.05 -0.12 1.99 1.55 0.02 0.00 0.00 176.35 179.84 2qey h PRO 223 N 5.52 0.76 0.00 1.29 0.13 -1.78 0.56 132.00 138.47 2qey h PRO 223 Ca 0.18 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 2qey h PRO 223 Cb 0.81 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 2qey h PRO 223 CO 0.60 0.51 -0.33 -0.44 -0.23 0.00 0.00 178.00 178.10 2qey h ASP 224 N 0.79 0.00 0.05 1.44 5.19 -1.94 -2.41 116.42 119.54 2qey h ASP 224 Ca 0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 2qey h ASP 224 Cb 0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.60 2qey h ASP 224 CO -0.08 0.33 -0.39 0.54 -3.12 0.00 0.00 179.24 176.52 2qey n ARG 225 N -3.59 1.15 -3.61 3.56 1.74 -0.53 -4.98 116.66 110.40 2qey n ARG 225 Ca -0.01 -0.88 -0.22 0.00 -0.77 0.00 0.00 57.85 55.97 2qey n ARG 225 Cb 0.46 -1.48 0.07 0.00 -1.02 0.00 0.00 32.46 30.48 2qey n ARG 225 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qey n ARG 226 N -0.15 -6.62 -4.63 5.56 5.12 0.08 -4.88 116.66 111.13 2qey n ARG 226 Ca 0.10 0.76 -0.23 0.00 -1.93 0.00 0.00 57.85 56.56 2qey n ARG 226 Cb 0.44 -5.70 -0.15 0.00 -1.16 0.00 0.00 32.46 25.89 2qey n ARG 226 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2qey s GLU 227 N -5.98 1.20 -0.10 5.56 2.02 -0.83 -1.58 118.70 118.99 2qey s GLU 227 Ca 0.30 -0.67 0.04 0.00 0.02 0.00 0.00 54.97 54.65 2qey s GLU 227 Cb -0.14 -1.20 0.00 0.00 0.10 0.00 0.00 34.13 32.89 2qey s GLU 227 CO 0.76 0.32 -0.23 0.42 0.02 0.00 0.00 175.26 176.55 2qey s ILE 228 N -0.55 2.00 -0.17 -1.63 1.01 0.50 -0.45 121.20 121.90 2qey s ILE 228 Ca 0.05 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.71 2qey s ILE 228 Cb -0.07 -1.74 0.05 0.00 0.01 0.00 0.00 42.46 40.72 2qey s ILE 228 CO 0.00 0.54 0.00 -0.63 0.00 0.00 0.00 174.94 174.86 2qey s ILE 229 N 0.43 0.72 -0.07 2.92 1.01 -0.35 -0.46 121.20 125.40 2qey s ILE 229 Ca -0.17 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 59.97 2qey s ILE 229 Cb -0.17 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.22 2qey s ILE 229 CO 0.07 -0.06 -0.16 -0.55 0.00 0.00 0.00 174.94 174.25 2qey s SER 230 N 1.78 2.13 -0.01 3.58 0.15 0.48 -0.70 113.70 121.12 2qey s SER 230 Ca -0.00 -0.37 0.02 0.00 0.70 0.00 0.00 55.95 56.30 2qey s SER 230 Cb -0.16 -0.94 -0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2qey s SER 230 CO -0.07 0.08 -0.08 0.12 1.20 0.00 0.00 173.24 174.49 2qey s PHE 231 N 0.51 0.72 0.00 3.44 5.36 -0.42 -1.69 117.98 125.89 2qey s PHE 231 Ca -0.14 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 55.68 2qey s PHE 231 Cb -0.16 -0.48 0.00 0.00 -0.34 0.00 0.00 43.02 42.04 2qey s PHE 231 CO 0.05 -0.03 0.00 0.41 -1.46 0.00 0.00 175.22 174.19 2qey n GLY 232 N 3.01 2.94 3.24 13.12 0.00 -0.23 -1.16 105.19 126.11 2qey n GLY 232 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2qey n GLY 232 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qey s SER 233 N -1.22 2.78 0.00 1.61 0.15 -1.26 0.15 113.70 115.91 2qey s SER 233 Ca 0.00 -0.45 0.21 0.00 0.70 0.00 0.00 55.95 56.41 2qey s SER 233 Cb 0.00 -0.61 0.44 0.00 -1.71 0.00 0.00 66.02 64.14 2qey s SER 233 CO 0.00 0.24 1.38 0.61 1.20 0.00 0.00 173.24 176.68 2qey n GLY 234 N 2.83 1.87 3.77 9.45 0.00 -1.26 -4.44 105.19 117.41 2qey n GLY 234 Ca -0.17 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 2qey n GLY 234 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qey s TYR 235 N -1.31 3.48 0.00 1.61 5.04 -1.26 -4.72 117.35 120.19 2qey s TYR 235 Ca 0.38 0.44 0.00 0.00 -2.44 0.00 0.00 57.07 55.45 2qey s TYR 235 Cb 0.22 -2.13 0.00 0.00 0.35 0.00 0.00 41.96 40.39 2qey s TYR 235 CO 0.30 0.41 0.00 0.41 -1.34 0.00 0.00 175.55 175.33 2qey n GLY 236 N 3.04 1.93 0.31 8.97 0.00 -1.26 -0.77 105.19 117.41 2qey n GLY 236 Ca -0.16 0.39 0.19 0.00 0.00 0.00 0.00 46.02 46.43 2qey n GLY 236 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qey h GLY 237 N 0.00 0.00 1.98 -0.02 0.00 -1.94 0.28 103.07 103.37 2qey h GLY 237 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2qey h GLY 237 CO 0.00 0.00 -0.11 3.43 0.00 0.00 0.00 176.54 179.86 2qey h ASN 238 N 0.00 0.00 0.00 0.19 2.35 -1.30 -3.42 115.58 113.41 2qey h ASN 238 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qey h ASN 238 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2qey h ASN 238 CO 0.00 0.09 -0.88 -1.54 -1.65 0.00 0.00 177.43 173.46 2qey n SER 239 N -3.12 3.26 -4.57 5.81 3.41 -0.82 -4.81 113.62 112.79 2qey n SER 239 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 2qey n SER 239 Cb 0.57 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 2qey n SER 239 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qey s LEU 240 N -4.84 3.61 0.16 1.04 1.43 0.92 -4.84 118.68 116.15 2qey s LEU 240 Ca 0.00 -1.75 0.18 0.00 -1.03 0.00 0.00 54.13 51.54 2qey s LEU 240 Cb 0.00 -2.57 0.79 0.00 0.03 0.00 0.00 46.19 44.44 2qey s LEU 240 CO 0.00 -1.41 1.56 0.18 0.23 0.00 0.00 176.35 176.91 2qey n LEU 241 N 8.73 0.38 0.07 1.79 4.77 -1.26 -0.73 117.00 130.75 2qey n LEU 241 Ca 0.38 0.61 -0.07 0.00 -0.03 0.00 0.00 56.01 56.89 2qey n LEU 241 Cb 0.50 -0.58 0.06 0.00 -2.33 0.00 0.00 43.42 41.07 2qey n LEU 241 CO 0.69 -0.50 0.38 1.23 -1.33 0.00 0.00 177.39 177.85 2qey h GLY 242 N 1.84 0.30 0.45 -0.72 0.00 -1.94 -0.88 103.07 102.12 2qey h GLY 242 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 47.33 46.92 2qey h GLY 242 CO 0.00 0.39 -0.30 1.70 0.00 0.00 0.00 176.54 178.32 2qey h LYS 243 N 0.19 -0.50 0.00 4.80 1.63 -1.27 -1.54 116.57 119.87 2qey h LYS 243 Ca -0.02 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2qey h LYS 243 Cb 1.28 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 2qey h LYS 243 CO 0.11 -0.33 -0.55 1.63 -3.45 0.00 0.00 179.45 176.86 2qey n LYS 244 N -5.41 1.21 -0.07 1.90 4.76 -1.26 -4.47 118.16 114.82 2qey n LYS 244 Ca -0.06 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.27 2qey n LYS 244 Cb 0.32 -0.77 -0.04 0.00 -1.84 0.00 0.00 35.03 32.69 2qey n LYS 244 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qey h PHE 246 N 0.19 0.00 -0.93 0.00 3.04 -1.28 -0.79 116.94 117.17 2qey h PHE 246 Ca 0.07 0.00 0.19 0.00 3.98 0.00 0.00 57.97 62.21 2qey h PHE 246 Cb 0.30 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 38.74 2qey h PHE 246 CO 0.02 0.03 0.60 0.00 -2.02 0.00 0.00 178.31 176.94 2qey h ALA 247 N -0.98 2.01 0.00 2.41 0.00 -1.38 -1.21 119.26 120.11 2qey h ALA 247 Ca -0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2qey h ALA 247 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2qey h ALA 247 CO -0.00 -0.30 -1.09 1.28 0.00 0.00 0.00 179.25 179.13 2qey n LEU 248 N -4.58 0.50 0.15 0.00 4.77 -0.74 -4.59 117.00 112.51 2qey n LEU 248 Ca 0.20 0.08 -0.07 0.00 -0.03 0.00 0.00 56.01 56.19 2qey n LEU 248 Cb 0.62 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 2qey n LEU 248 CO 0.28 -0.03 0.21 0.03 -1.33 0.00 0.00 177.39 176.56 2qey h ARG 249 N -0.18 -0.44 -0.04 3.23 3.08 -1.39 -1.22 114.38 117.43 2qey h ARG 249 Ca -0.11 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2qey h ARG 249 Cb 0.95 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 2qey h ARG 249 CO -0.06 -0.29 0.02 0.82 -1.07 0.00 0.00 179.97 179.39 2qey h ILE 250 N -0.97 1.02 -0.71 2.04 1.08 -1.23 -3.18 117.51 115.57 2qey h ILE 250 Ca -0.05 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.39 2qey h ILE 250 Cb 0.35 1.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 2qey h ILE 250 CO 0.08 0.02 0.47 0.00 -0.69 0.00 0.00 178.15 178.02 2qey h ALA 251 N 0.99 1.55 -0.38 1.87 0.00 -1.32 -1.55 119.26 120.42 2qey h ALA 251 Ca 0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2qey h ALA 251 Cb 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2qey h ALA 251 CO -0.00 0.39 -0.11 0.66 0.00 0.00 0.00 179.25 180.19 2qey h SER 252 N 0.90 0.65 -0.14 0.00 4.64 -1.22 0.36 113.55 118.74 2qey h SER 252 Ca 0.27 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 2qey h SER 252 Cb -0.01 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2qey h SER 252 CO -0.07 0.80 0.05 0.03 -0.87 0.00 0.00 176.83 176.77 2qey h ARG 253 N 0.61 0.21 -0.62 4.77 2.47 -1.38 -0.67 114.38 119.77 2qey h ARG 253 Ca 0.11 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.81 2qey h ARG 253 Cb 0.55 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.80 2qey h ARG 253 CO 0.03 0.31 0.38 -0.07 0.56 0.00 0.00 179.97 181.18 2qey h LEU 254 N 0.07 0.63 -0.34 3.04 3.38 -1.03 -1.76 115.31 119.31 2qey h LEU 254 Ca 0.05 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2qey h LEU 254 Cb 0.18 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2qey h LEU 254 CO -0.00 0.44 0.03 0.00 0.09 0.00 0.00 178.44 179.00 2qey h ALA 255 N 1.26 0.33 -0.44 1.53 0.00 -0.19 0.65 119.26 122.41 2qey h ALA 255 Ca 0.25 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.29 2qey h ALA 255 Cb 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2qey h ALA 255 CO -0.09 -0.37 0.15 -0.22 0.00 0.00 0.00 179.25 178.72 2qey h LYS 256 N 0.14 0.31 -0.66 0.00 3.64 -0.75 0.99 116.57 120.24 2qey h LYS 256 Ca 0.16 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2qey h LYS 256 Cb 0.20 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 2qey h LYS 256 CO -0.24 0.21 0.13 0.93 -2.27 0.00 0.00 179.45 178.21 2qey h GLU 257 N 0.32 1.07 -0.01 1.90 5.08 -0.85 -3.33 114.58 118.77 2qey h GLU 257 Ca 0.21 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2qey h GLU 257 Cb 0.20 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2qey h GLU 257 CO -0.21 0.97 -0.57 0.39 -1.00 0.00 0.00 179.01 178.59 2qey n GLU 258 N -4.22 1.38 -0.31 2.33 1.02 0.18 -4.99 120.64 116.02 2qey n GLU 258 Ca 0.05 -0.53 0.00 0.00 -0.02 0.00 0.00 57.16 56.66 2qey n GLU 258 Cb 0.27 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 2qey n GLU 258 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qey n GLY 259 N 1.32 0.98 0.00 0.62 0.00 0.21 -5.04 105.19 103.29 2qey n GLY 259 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2qey n GLY 259 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2qey n TRP 260 N -2.17 0.00 -4.24 1.61 4.27 -0.44 -4.70 117.44 111.77 2qey n TRP 260 Ca 0.00 0.00 -0.19 0.00 -3.89 0.00 0.00 57.50 53.42 2qey n TRP 260 Cb 0.03 0.00 -0.16 0.00 -1.36 0.00 0.00 31.31 29.82 2qey n TRP 260 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 2qey s LEU 261 N 0.00 1.66 -0.22 5.67 1.43 0.77 -4.15 118.68 123.85 2qey s LEU 261 Ca 0.00 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2qey s LEU 261 Cb 0.00 -0.43 0.04 0.00 0.03 0.00 0.00 46.19 45.83 2qey s LEU 261 CO 0.00 0.02 -0.14 0.00 0.23 0.00 0.00 176.35 176.45 2qey s ALA 262 N 0.39 2.37 0.07 4.21 0.00 -1.26 -0.44 121.76 127.10 2qey s ALA 262 Ca -0.05 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 50.48 2qey s ALA 262 Cb -0.09 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 2qey s ALA 262 CO 0.00 -0.80 -0.09 -1.21 0.00 0.00 0.00 175.76 173.66 2qey s GLU 263 N 1.23 0.69 -1.45 0.00 0.41 -0.06 -4.65 118.70 114.87 2qey s GLU 263 Ca -0.02 -0.98 -0.13 0.00 -0.41 0.00 0.00 54.97 53.43 2qey s GLU 263 Cb -0.17 -0.39 0.05 0.00 -1.78 0.00 0.00 34.13 31.84 2qey s GLU 263 CO -0.09 0.06 2.24 1.58 -0.49 0.00 0.00 175.26 178.56 2qey n HIS 264 N 0.96 3.40 -4.31 1.61 -0.00 -1.26 -1.28 115.22 114.34 2qey n HIS 264 Ca -0.19 -2.96 -0.19 0.00 0.46 0.00 0.00 57.72 54.83 2qey n HIS 264 Cb 0.56 -2.48 -0.15 0.00 -0.12 0.00 0.00 29.99 27.80 2qey n HIS 264 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 2qey s MET 265 N 2.80 0.84 0.72 1.57 -1.94 -0.29 -4.22 119.30 118.76 2qey s MET 265 Ca 0.48 -0.25 -0.12 0.00 -1.71 0.00 0.00 55.69 54.08 2qey s MET 265 Cb 0.14 -0.80 0.03 0.00 2.01 0.00 0.00 34.83 36.21 2qey s MET 265 CO -0.08 0.08 1.09 -0.48 -0.01 0.00 0.00 175.02 175.63 2qey s LEU 266 N 0.26 3.20 -0.08 -0.03 0.05 -0.76 -2.17 118.68 119.15 2qey s LEU 266 Ca -0.04 1.88 0.01 0.00 0.05 0.00 0.00 54.13 56.03 2qey s LEU 266 Cb -0.08 -4.53 0.02 0.00 -2.05 0.00 0.00 46.19 39.54 2qey s LEU 266 CO 0.00 -1.81 -0.10 -0.63 -0.55 0.00 0.00 176.35 173.27 2qey s ILE 267 N -2.68 1.04 0.08 1.48 1.01 0.21 -2.33 121.20 120.02 2qey s ILE 267 Ca 0.63 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.96 2qey s ILE 267 Cb -0.18 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 2qey s ILE 267 CO 0.50 0.35 -0.12 -1.48 0.00 0.00 0.00 174.94 174.18 2qey s LEU 268 N 1.13 2.33 -0.18 2.97 0.05 -0.18 -1.30 118.68 123.50 2qey s LEU 268 Ca -0.06 -0.69 -0.04 0.00 0.05 0.00 0.00 54.13 53.39 2qey s LEU 268 Cb -0.14 -0.43 -0.02 0.00 -2.05 0.00 0.00 46.19 43.54 2qey s LEU 268 CO -0.02 -0.15 -0.02 -0.83 -0.55 0.00 0.00 176.35 174.78 2qey s GLY 269 N -2.01 1.70 -0.11 -3.48 0.00 0.10 -0.53 107.32 102.99 2qey s GLY 269 Ca 0.01 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.83 2qey s GLY 269 CO 0.02 0.12 -0.23 -1.50 0.00 0.00 0.00 173.10 171.50 2qey s ILE 270 N 0.77 2.04 -0.10 0.90 2.07 0.41 0.02 121.20 127.31 2qey s ILE 270 Ca -0.01 -1.00 0.02 0.00 -1.41 0.00 0.00 60.65 58.26 2qey s ILE 270 Cb -0.14 -1.77 -0.01 0.00 0.13 0.00 0.00 42.46 40.66 2qey s ILE 270 CO 0.02 0.55 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.55 2qey s THR 271 N 0.45 2.76 0.61 4.00 2.01 0.52 -0.98 115.64 125.02 2qey s THR 271 Ca -0.16 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 2qey s THR 271 Cb -0.17 -2.11 0.06 0.00 0.01 0.00 0.00 72.50 70.29 2qey s THR 271 CO 0.06 0.55 0.85 0.54 -0.69 0.00 0.00 174.62 175.94 2qey s ASN 272 N 0.01 5.02 0.39 3.53 4.22 -0.33 -1.20 114.94 126.57 2qey s ASN 272 Ca -0.06 -0.04 0.27 0.00 -2.14 0.00 0.00 52.86 50.89 2qey s ASN 272 Cb -0.15 -0.71 1.39 0.00 1.28 0.00 0.00 41.25 43.07 2qey s ASN 272 CO 0.05 -1.36 1.81 -0.65 -2.04 0.00 0.00 177.10 174.91 2qey h PRO 273 N -0.14 0.00 -0.30 3.55 0.11 -1.84 -1.41 132.00 131.96 2qey h PRO 273 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2qey h PRO 273 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2qey h PRO 273 CO 0.50 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.68 2qey n GLU 274 N -2.44 1.81 -1.63 1.05 -0.58 -1.26 -4.92 120.64 112.67 2qey n GLU 274 Ca -0.01 -1.25 -0.09 0.00 -0.42 0.00 0.00 57.16 55.39 2qey n GLU 274 Cb 0.07 -1.32 -0.03 0.00 -0.57 0.00 0.00 31.44 29.60 2qey n GLU 274 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qey n GLY 275 N 1.10 0.65 3.77 0.62 0.00 -0.53 -5.02 105.19 105.77 2qey n GLY 275 Ca 0.13 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 2qey n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qey s LYS 276 N -3.46 4.00 -0.09 1.61 3.01 -1.26 -4.90 119.74 118.67 2qey s LYS 276 Ca 0.00 -0.16 0.04 0.00 -1.01 0.00 0.00 55.97 54.84 2qey s LYS 276 Cb 0.00 -3.36 -0.01 0.00 -1.01 0.00 0.00 37.83 33.45 2qey s LYS 276 CO 0.00 0.42 -0.21 0.21 0.51 0.00 0.00 175.35 176.29 2qey s LYS 277 N -0.00 2.88 0.04 1.68 2.20 -1.26 -1.19 119.74 124.09 2qey s LYS 277 Ca 0.11 -0.82 0.05 0.00 -0.36 0.00 0.00 55.97 54.95 2qey s LYS 277 Cb -0.12 -2.34 -0.02 0.00 -1.51 0.00 0.00 37.83 33.85 2qey s LYS 277 CO 0.00 0.32 -0.15 0.15 -0.36 0.00 0.00 175.35 175.31 2qey s LYS 278 N 0.02 0.98 -0.14 4.03 1.02 -0.15 -4.97 119.74 120.53 2qey s LYS 278 Ca -0.08 -0.76 -0.07 0.00 0.02 0.00 0.00 55.97 55.08 2qey s LYS 278 Cb -0.15 -1.00 -0.04 0.00 -0.52 0.00 0.00 37.83 36.12 2qey s LYS 278 CO 0.05 0.25 0.12 0.71 -0.92 0.00 0.00 175.35 175.56 2qey s TYR 279 N -0.82 3.50 0.10 3.18 1.51 -1.25 -0.44 117.35 123.12 2qey s TYR 279 Ca 0.02 0.42 0.09 0.00 -1.01 0.00 0.00 57.07 56.59 2qey s TYR 279 Cb -0.08 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 2qey s TYR 279 CO 0.01 0.56 -0.22 -0.51 -1.11 0.00 0.00 175.55 174.28 2qey s LEU 280 N -0.55 2.28 0.12 -1.29 1.43 0.31 -1.48 118.68 119.51 2qey s LEU 280 Ca 0.12 -0.68 0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2qey s LEU 280 Cb -0.12 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 2qey s LEU 280 CO 0.02 0.10 -0.26 0.00 0.23 0.00 0.00 176.35 176.44 2qey s ALA 281 N -1.09 2.42 -0.08 4.21 0.00 -0.40 -1.01 121.76 125.80 2qey s ALA 281 Ca 0.08 -1.43 -0.04 0.00 0.00 0.00 0.00 51.96 50.57 2qey s ALA 281 Cb -0.10 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.63 2qey s ALA 281 CO 0.04 0.55 0.18 0.00 0.00 0.00 0.00 175.76 176.53 2qey s ALA 282 N -1.05 -0.37 -0.38 0.00 0.00 -0.98 -0.45 121.76 118.53 2qey s ALA 282 Ca 0.14 0.79 -0.08 0.00 0.00 0.00 0.00 51.96 52.82 2qey s ALA 282 Cb -0.10 -0.54 0.06 0.00 0.00 0.00 0.00 23.12 22.54 2qey s ALA 282 CO 0.06 -0.19 0.19 0.00 0.00 0.00 0.00 175.76 175.82 2qey s ALA 283 N 1.26 3.19 0.12 0.00 0.00 0.63 -1.83 121.76 125.13 2qey s ALA 283 Ca -0.09 -1.96 0.10 0.00 0.00 0.00 0.00 51.96 50.02 2qey s ALA 283 Cb -0.11 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 2qey s ALA 283 CO -0.07 -1.50 -0.26 -0.06 0.00 0.00 0.00 175.76 173.87 2qey s PHE 284 N 1.42 2.19 1.12 0.00 0.08 -1.26 -2.96 117.98 118.57 2qey s PHE 284 Ca 0.01 -0.39 -0.16 0.00 0.12 0.00 0.00 56.93 56.51 2qey s PHE 284 Cb -0.21 -1.19 0.25 0.00 -0.57 0.00 0.00 43.02 41.30 2qey s PHE 284 CO 0.03 0.31 1.11 -2.14 -0.10 0.00 0.00 175.22 174.42 2qey s PRO 285 N -2.02 -0.54 0.37 0.24 0.02 -1.26 -4.85 135.00 126.96 2qey s PRO 285 Ca 0.12 0.15 -0.26 0.00 0.02 0.00 0.00 61.00 61.03 2qey s PRO 285 Cb -0.10 -1.66 -0.12 0.00 0.02 0.00 0.00 34.50 32.65 2qey s PRO 285 CO 0.06 -3.31 1.09 0.45 -0.33 0.00 0.00 177.00 174.96 2qey n SER 286 N -4.51 1.68 0.00 2.53 2.88 -1.26 -2.31 113.62 112.62 2qey n SER 286 Ca 0.10 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2qey n SER 286 Cb 0.59 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 2qey n SER 286 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qey n ALA 287 N -0.13 0.00 -0.00 -1.46 0.00 -1.26 -4.89 120.51 112.77 2qey n ALA 287 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.55 2qey n ALA 287 Cb 0.37 -0.36 0.06 0.00 0.00 0.00 0.00 19.45 19.51 2qey n ALA 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qey n GLY 289 N 0.05 1.12 0.11 0.00 0.00 -1.26 -4.91 105.19 100.30 2qey n GLY 289 Ca 0.05 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 2qey n GLY 289 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qey h LYS 290 N 0.00 0.02 -0.60 1.61 1.57 -1.88 -2.36 116.57 114.92 2qey h LYS 290 Ca 0.00 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2qey h LYS 290 Cb 0.52 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 2qey h LYS 290 CO 0.00 0.01 0.25 1.15 -0.57 0.00 0.00 179.45 180.30 2qey h THR 291 N 0.02 1.21 -0.66 -0.16 2.02 -1.95 0.11 112.91 113.50 2qey h THR 291 Ca 0.11 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2qey h THR 291 Cb 0.15 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 2qey h THR 291 CO -0.21 0.26 0.37 0.78 0.37 0.00 0.00 175.52 177.08 2qey h ASN 292 N 0.86 0.83 -0.16 4.18 2.35 -1.85 -2.63 115.58 119.16 2qey h ASN 292 Ca 0.21 -0.09 -0.18 0.00 -0.55 0.00 0.00 56.30 55.69 2qey h ASN 292 Cb 0.15 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.31 2qey h ASN 292 CO -0.02 0.68 -0.59 0.25 -1.65 0.00 0.00 177.43 176.10 2qey h LEU 293 N 0.91 0.79 -1.76 1.61 5.85 -0.83 -2.35 115.31 119.53 2qey h LEU 293 Ca 0.23 -0.61 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 2qey h LEU 293 Cb 0.03 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2qey h LEU 293 CO -0.04 1.27 0.12 0.00 -0.34 0.00 0.00 178.44 179.45 2qey h ALA 294 N 0.54 1.82 -0.22 1.25 0.00 -0.77 -2.65 119.26 119.25 2qey h ALA 294 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qey h ALA 294 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2qey h ALA 294 CO 0.12 0.16 0.00 -1.33 0.00 0.00 0.00 179.25 178.20 2qey n MET 295 N -4.49 2.65 -1.54 0.00 2.81 -1.00 -3.97 117.12 111.59 2qey n MET 295 Ca 0.00 -2.54 -0.48 0.00 -1.81 0.00 0.00 57.70 52.87 2qey n MET 295 Cb 0.09 -1.61 -0.04 0.00 -0.71 0.00 0.00 33.22 30.95 2qey n MET 295 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 2qey n MET 296 N -0.45 0.89 -3.29 0.03 0.00 -0.88 -4.56 117.12 108.86 2qey n MET 296 Ca 0.17 0.31 -0.45 0.00 0.00 0.00 0.00 57.70 57.73 2qey n MET 296 Cb 0.71 -1.68 -0.06 0.00 0.00 0.00 0.00 33.22 32.19 2qey n MET 296 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 2qey s ASN 297 N -0.34 6.18 0.31 6.12 2.47 -1.26 -4.62 114.94 123.80 2qey s ASN 297 Ca 0.69 -1.51 -0.29 0.00 0.42 0.00 0.00 52.86 52.18 2qey s ASN 297 Cb -0.86 -2.22 -0.10 0.00 -1.45 0.00 0.00 41.25 36.61 2qey s ASN 297 CO 0.55 -0.84 1.30 -2.16 -3.72 0.00 0.00 177.10 172.23 2qey s PRO 298 N 1.89 4.38 0.08 0.43 0.04 -1.26 -4.36 135.00 136.19 2qey s PRO 298 Ca 0.06 2.18 0.09 0.00 0.04 0.00 0.00 61.00 63.37 2qey s PRO 298 Cb -0.26 -3.09 -0.20 0.00 0.04 0.00 0.00 34.50 30.98 2qey s PRO 298 CO 0.05 -0.17 1.11 1.79 0.04 0.00 0.00 177.00 179.82 2qey h THR 299 N 3.11 1.42 -2.86 1.26 1.35 -1.88 -3.46 112.91 111.85 2qey h THR 299 Ca -0.48 -3.15 -0.54 0.00 -0.55 0.00 0.00 66.41 61.69 2qey h THR 299 Cb 1.22 2.70 0.01 0.00 -1.73 0.00 0.00 68.15 70.35 2qey h THR 299 CO 0.67 0.81 0.86 -0.76 -0.25 0.00 0.00 175.52 176.85 2qey s LEU 300 N -6.51 4.34 0.39 3.87 1.43 -1.26 -4.98 118.68 115.96 2qey s LEU 300 Ca -0.00 2.27 -0.28 0.00 -1.03 0.00 0.00 54.13 55.08 2qey s LEU 300 Cb 0.09 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.64 2qey s LEU 300 CO 0.82 -0.76 1.48 -2.84 0.23 0.00 0.00 176.35 175.28 2qey s PRO 301 N 2.22 4.03 0.00 1.29 0.02 -1.26 -2.89 135.00 138.41 2qey s PRO 301 Ca 0.67 2.55 0.00 0.00 0.02 0.00 0.00 61.00 64.24 2qey s PRO 301 Cb -0.35 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.26 2qey s PRO 301 CO 0.29 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.78 2qey n GLY 302 N 0.47 1.94 3.90 0.52 0.00 -1.26 -4.85 105.19 105.91 2qey n GLY 302 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2qey n GLY 302 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qey s TRP 303 N -2.74 3.53 -0.02 1.61 0.52 -1.14 -2.77 118.94 117.92 2qey s TRP 303 Ca 0.00 0.48 0.01 0.00 0.02 0.00 0.00 56.10 56.60 2qey s TRP 303 Cb 0.00 -1.93 0.02 0.00 -1.15 0.00 0.00 33.47 30.41 2qey s TRP 303 CO 0.00 0.55 -0.01 0.21 0.02 0.00 0.00 176.95 177.72 2qey s LYS 304 N -2.23 0.34 -0.08 4.98 2.20 -0.34 -4.84 119.74 119.75 2qey s LYS 304 Ca 0.34 0.00 0.04 0.00 -0.36 0.00 0.00 55.97 55.99 2qey s LYS 304 Cb -0.13 -0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 35.74 2qey s LYS 304 CO 0.22 -0.07 -0.22 0.08 -0.36 0.00 0.00 175.35 175.00 2qey s VAL 305 N 0.68 2.34 0.05 4.02 1.01 -1.26 -0.35 120.40 126.89 2qey s VAL 305 Ca -0.07 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.01 2qey s VAL 305 Cb -0.10 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2qey s VAL 305 CO -0.01 0.56 -0.15 -1.61 0.00 0.00 0.00 175.10 173.90 2qey s GLU 306 N -0.03 0.92 -0.22 2.72 2.02 0.10 -4.90 118.70 119.31 2qey s GLU 306 Ca -0.07 -0.83 -0.10 0.00 0.02 0.00 0.00 54.97 53.99 2qey s GLU 306 Cb -0.15 -0.94 -0.05 0.00 0.10 0.00 0.00 34.13 33.09 2qey s GLU 306 CO 0.05 0.23 0.14 0.00 0.02 0.00 0.00 175.26 175.69 2qey n VAL 308 N 4.01 1.54 -3.52 0.00 0.31 -0.42 0.03 118.33 120.28 2qey n VAL 308 Ca -0.15 -0.40 -0.11 0.00 -0.01 0.00 0.00 64.34 63.66 2qey n VAL 308 Cb 0.52 -1.77 -0.02 0.00 -0.91 0.00 0.00 33.84 31.65 2qey n VAL 308 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2qey s GLY 309 N -5.67 -0.48 0.00 2.92 0.00 -0.82 -4.73 107.32 98.54 2qey s GLY 309 Ca -0.35 0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.67 2qey s GLY 309 CO 0.56 0.06 0.60 2.09 0.00 0.00 0.00 173.10 176.40 2qey n ASP 310 N -0.38 1.22 0.00 1.64 5.75 -1.26 -0.62 116.55 122.91 2qey n ASP 310 Ca -0.15 -1.16 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 2qey n ASP 310 Cb 0.64 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 2qey n ASP 310 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2qey n ASP 311 N 0.03 0.00 -4.07 -1.12 2.03 -1.25 -4.19 116.55 107.99 2qey n ASP 311 Ca 0.01 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.07 2qey n ASP 311 Cb 0.06 0.01 -0.16 0.00 -0.72 0.00 0.00 41.12 40.31 2qey n ASP 311 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2qey s ILE 312 N -1.24 1.22 -0.11 5.18 -1.09 -0.92 -1.14 121.20 123.09 2qey s ILE 312 Ca 0.00 -0.57 0.03 0.00 -2.23 0.00 0.00 60.65 57.88 2qey s ILE 312 Cb 0.00 -1.08 0.01 0.00 -1.58 0.00 0.00 42.46 39.81 2qey s ILE 312 CO 0.00 0.36 -0.19 0.00 -1.23 0.00 0.00 174.94 173.88 2qey s ALA 313 N 0.32 1.91 -0.28 9.38 0.00 -0.40 -4.28 121.76 128.41 2qey s ALA 313 Ca -0.08 -0.85 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 2qey s ALA 313 Cb -0.13 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.16 2qey s ALA 313 CO 0.03 0.06 0.05 -1.58 0.00 0.00 0.00 175.76 174.31 2qey s TRP 314 N 0.73 3.11 -0.03 0.00 0.52 -0.74 -0.88 118.94 121.65 2qey s TRP 314 Ca -0.11 -1.00 0.04 0.00 0.02 0.00 0.00 56.10 55.05 2qey s TRP 314 Cb -0.16 -2.21 -0.00 0.00 -1.15 0.00 0.00 33.47 29.95 2qey s TRP 314 CO 0.02 -0.57 -0.15 -1.64 0.02 0.00 0.00 176.95 174.63 2qey s MET 315 N 1.48 1.46 -0.08 4.98 -1.94 0.42 -1.11 119.30 124.51 2qey s MET 315 Ca 0.03 -0.51 -0.04 0.00 -1.71 0.00 0.00 55.69 53.46 2qey s MET 315 Cb -0.17 -1.31 0.04 0.00 2.01 0.00 0.00 34.83 35.41 2qey s MET 315 CO 0.01 0.22 0.18 0.21 -0.01 0.00 0.00 175.02 175.63 2qey s LYS 316 N 0.01 0.11 0.04 2.03 2.20 0.39 -0.16 119.74 124.37 2qey s LYS 316 Ca -0.02 0.46 -0.31 0.00 -0.36 0.00 0.00 55.97 55.75 2qey s LYS 316 Cb -0.10 -0.17 -0.07 0.00 -1.51 0.00 0.00 37.83 35.98 2qey s LYS 316 CO 0.01 -0.19 1.53 -0.06 -0.36 0.00 0.00 175.35 176.28 2qey s PHE 317 N 1.44 2.66 0.53 4.03 0.08 -1.26 -1.22 117.98 124.24 2qey s PHE 317 Ca -0.07 0.57 -0.05 0.00 0.12 0.00 0.00 56.93 57.50 2qey s PHE 317 Cb -0.11 -3.82 0.11 0.00 -0.57 0.00 0.00 43.02 38.63 2qey s PHE 317 CO -0.07 -3.17 0.72 -0.40 -0.10 0.00 0.00 175.22 172.20 2qey n ASP 318 N 5.39 0.45 0.29 1.36 5.68 0.06 -4.89 116.55 124.89 2qey n ASP 318 Ca 0.14 -1.50 0.15 0.00 -0.50 0.00 0.00 54.79 53.09 2qey n ASP 318 Cb 0.42 -0.51 0.89 0.00 -1.14 0.00 0.00 41.12 40.77 2qey n ASP 318 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qey h ALA 319 N -1.20 1.34 -0.01 2.12 0.00 -1.95 -0.67 119.26 118.89 2qey h ALA 319 Ca -0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2qey h ALA 319 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2qey h ALA 319 CO 0.20 0.05 -0.24 1.04 0.00 0.00 0.00 179.25 180.31 2qey n GLN 320 N -3.64 0.82 -0.64 0.00 1.13 -1.26 -4.94 117.38 108.85 2qey n GLN 320 Ca -0.02 -0.46 0.00 0.00 -1.94 0.00 0.00 57.00 54.58 2qey n GLN 320 Cb 0.14 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.00 2qey n GLN 320 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qey n GLY 321 N 1.33 0.72 3.73 1.08 0.00 -0.26 -4.82 105.19 106.97 2qey n GLY 321 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2qey n GLY 321 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qey s ASN 322 N -2.27 7.50 -0.75 1.61 0.01 -1.26 -0.09 114.94 119.69 2qey s ASN 322 Ca 0.00 1.79 -0.26 0.00 -0.71 0.00 0.00 52.86 53.67 2qey s ASN 322 Cb 0.00 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 39.11 2qey s ASN 322 CO 0.00 -0.02 1.27 -0.22 -1.51 0.00 0.00 177.10 176.62 2qey s LEU 323 N -0.19 3.25 -0.09 0.60 2.96 -1.26 -0.76 118.68 123.20 2qey s LEU 323 Ca 0.45 -0.54 -0.21 0.00 -0.22 0.00 0.00 54.13 53.61 2qey s LEU 323 Cb -0.23 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 2qey s LEU 323 CO 0.30 -1.80 0.61 -0.13 -1.32 0.00 0.00 176.35 174.01 2qey s ARG 324 N 5.59 4.40 -0.03 1.98 1.81 -0.36 -0.60 118.95 131.74 2qey s ARG 324 Ca 0.35 0.71 0.05 0.00 -1.72 0.00 0.00 55.73 55.12 2qey s ARG 324 Cb -0.08 -3.44 -0.01 0.00 -0.45 0.00 0.00 34.95 30.97 2qey s ARG 324 CO 0.13 0.11 -0.19 0.00 -0.68 0.00 0.00 175.30 174.67 2qey s ALA 325 N 0.72 1.63 0.14 2.13 0.00 0.45 -0.46 121.76 126.37 2qey s ALA 325 Ca 0.33 -0.79 0.09 0.00 0.00 0.00 0.00 51.96 51.59 2qey s ALA 325 Cb -0.17 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 2qey s ALA 325 CO 0.15 0.34 -0.16 0.96 0.00 0.00 0.00 175.76 177.05 2qey s ILE 326 N -0.18 2.89 -0.41 0.00 -4.36 -0.26 -0.25 121.20 118.62 2qey s ILE 326 Ca 0.01 -1.61 -0.26 0.00 -0.26 0.00 0.00 60.65 58.53 2qey s ILE 326 Cb -0.10 -2.36 0.02 0.00 1.25 0.00 0.00 42.46 41.27 2qey s ILE 326 CO 0.01 0.02 0.95 0.21 0.24 0.00 0.00 174.94 176.37 2qey s ASN 327 N -2.39 6.62 0.00 4.36 2.47 -1.26 -1.80 114.94 122.94 2qey s ASN 327 Ca 0.20 0.42 0.24 0.00 0.42 0.00 0.00 52.86 54.14 2qey s ASN 327 Cb -0.10 -2.47 1.08 0.00 -1.45 0.00 0.00 41.25 38.31 2qey s ASN 327 CO 0.11 -0.97 1.77 -0.81 -3.72 0.00 0.00 177.10 173.49 2qey n PRO 328 N 7.03 0.12 -3.03 0.43 -0.04 -1.26 -4.45 135.00 133.80 2qey n PRO 328 Ca 0.07 0.08 -0.24 0.00 -0.04 0.00 0.00 63.50 63.38 2qey n PRO 328 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2qey n PRO 328 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2qey s GLU 329 N -2.85 3.24 0.00 0.54 2.02 -1.26 -0.64 118.70 119.75 2qey s GLU 329 Ca 0.15 -0.33 0.06 0.00 0.02 0.00 0.00 54.97 54.88 2qey s GLU 329 Cb 0.16 -2.55 0.08 0.00 0.10 0.00 0.00 34.13 31.91 2qey s GLU 329 CO 0.41 -0.16 0.79 -1.71 0.02 0.00 0.00 175.26 174.61 2qey n ASN 330 N -2.04 1.73 -2.29 -0.19 5.15 0.60 -4.81 115.26 113.42 2qey n ASN 330 Ca -0.00 -1.41 -0.06 0.00 -0.60 0.00 0.00 54.58 52.51 2qey n ASN 330 Cb 0.57 -0.03 0.02 0.00 -0.53 0.00 0.00 39.78 39.81 2qey n ASN 330 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qey n GLY 331 N 0.32 1.24 3.33 8.20 0.00 -1.13 -2.05 105.19 115.11 2qey n GLY 331 Ca 0.04 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 2qey n GLY 331 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qey s PHE 332 N -4.09 2.92 -1.01 1.61 0.08 -0.08 -4.78 117.98 112.62 2qey s PHE 332 Ca 0.12 -0.84 -0.04 0.00 0.12 0.00 0.00 56.93 56.28 2qey s PHE 332 Cb -0.03 -2.01 0.28 0.00 -0.57 0.00 0.00 43.02 40.68 2qey s PHE 332 CO 0.08 -0.43 1.18 0.34 -0.10 0.00 0.00 175.22 176.30 2qey n PHE 333 N 4.33 3.61 -3.43 0.36 7.35 -1.26 -1.81 117.46 126.62 2qey n PHE 333 Ca -0.18 -3.40 -0.33 0.00 -0.76 0.00 0.00 57.45 52.78 2qey n PHE 333 Cb 0.51 -1.29 -0.05 0.00 0.35 0.00 0.00 39.48 39.00 2qey n PHE 333 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2qey s GLY 334 N -0.70 2.31 0.05 7.13 0.00 -0.63 -4.85 107.32 110.64 2qey s GLY 334 Ca 0.31 -0.27 -0.31 0.00 0.00 0.00 0.00 44.72 44.46 2qey s GLY 334 CO 0.00 -0.11 1.66 0.14 0.00 0.00 0.00 173.10 174.79 2qey s VAL 335 N -1.72 3.11 -0.08 1.40 1.01 -1.26 -0.49 120.40 122.36 2qey s VAL 335 Ca 0.44 0.51 -0.19 0.00 0.00 0.00 0.00 61.98 62.74 2qey s VAL 335 Cb -0.12 -3.33 -0.15 0.00 0.00 0.00 0.00 36.38 32.78 2qey s VAL 335 CO 0.21 -0.01 0.69 0.00 0.00 0.00 0.00 175.10 175.99 2qey h ALA 336 N 8.51 -0.12 -2.71 5.51 0.00 -1.19 -3.43 119.26 125.83 2qey h ALA 336 Ca -0.42 -0.25 -0.55 0.00 0.00 0.00 0.00 54.91 53.68 2qey h ALA 336 Cb 1.20 0.05 0.09 0.00 0.00 0.00 0.00 17.79 19.13 2qey h ALA 336 CO 0.93 -0.17 0.77 -2.30 0.00 0.00 0.00 179.25 178.48 2qey n PRO 337 N -4.82 2.52 0.00 0.00 -0.02 -1.26 -1.78 135.00 129.65 2qey n PRO 337 Ca -0.07 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2qey n PRO 337 Cb 0.27 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 2qey n PRO 337 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qey n GLY 338 N 1.60 1.32 3.63 -1.23 0.00 0.79 -4.99 105.19 106.31 2qey n GLY 338 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2qey n GLY 338 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qey s THR 339 N -2.31 4.48 0.33 2.61 2.01 -0.73 -4.76 115.64 117.27 2qey s THR 339 Ca 0.00 1.63 0.06 0.00 0.31 0.00 0.00 61.69 63.70 2qey s THR 339 Cb 0.00 -4.43 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 2qey s THR 339 CO 0.00 -0.55 0.24 -0.94 -0.69 0.00 0.00 174.62 172.68 2qey s SER 340 N 1.77 1.73 0.35 3.53 1.04 -1.26 -4.29 113.70 116.57 2qey s SER 340 Ca 0.45 -1.72 0.06 0.00 0.48 0.00 0.00 55.95 55.22 2qey s SER 340 Cb -0.11 0.54 0.65 0.00 0.10 0.00 0.00 66.02 67.20 2qey s SER 340 CO 0.18 -1.03 1.89 0.58 0.98 0.00 0.00 173.24 175.84 2qey h VAL 341 N 2.12 1.19 -0.10 5.02 2.07 -1.83 0.99 116.25 125.72 2qey h VAL 341 Ca -0.27 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 2qey h VAL 341 Cb 1.24 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2qey h VAL 341 CO 0.41 0.26 -0.26 0.11 0.02 0.00 0.00 177.57 178.10 2qey h LYS 342 N 0.44 0.34 0.12 1.57 1.57 -1.94 -3.17 116.57 115.51 2qey h LYS 342 Ca 0.10 -0.24 -0.31 0.00 -1.87 0.00 0.00 60.65 58.32 2qey h LYS 342 Cb 0.32 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2qey h LYS 342 CO 0.01 0.86 -1.54 1.79 -0.57 0.00 0.00 179.45 180.00 2qey h THR 343 N -0.11 1.14 -0.78 -0.16 1.35 -1.83 -3.43 112.91 109.09 2qey h THR 343 Ca -0.01 -2.78 -0.32 0.00 -0.55 0.00 0.00 66.41 62.76 2qey h THR 343 Cb 0.87 2.76 -0.22 0.00 -1.73 0.00 0.00 68.15 69.83 2qey h THR 343 CO 0.06 0.82 -0.67 -3.20 -0.25 0.00 0.00 175.52 172.27 2qey n ASN 344 N -3.46 -2.09 0.09 5.36 2.85 0.33 -4.85 115.26 113.49 2qey n ASN 344 Ca -0.17 -3.04 0.04 0.00 -0.11 0.00 0.00 54.58 51.30 2qey n ASN 344 Cb 1.05 1.08 0.46 0.00 1.24 0.00 0.00 39.78 43.60 2qey n ASN 344 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2qey h PRO 345 N 4.25 0.34 -0.00 1.20 0.13 -1.54 -2.42 132.00 133.95 2qey h PRO 345 Ca -0.04 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.93 2qey h PRO 345 Cb 1.00 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 2qey h PRO 345 CO 0.32 0.29 -0.57 -0.91 -0.23 0.00 0.00 178.00 176.90 2qey h ASN 346 N 0.34 0.00 -0.28 1.44 2.35 -1.90 -2.69 115.58 114.84 2qey h ASN 346 Ca 0.09 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.69 2qey h ASN 346 Cb 0.08 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 2qey h ASN 346 CO -0.01 0.57 -0.38 0.00 -1.65 0.00 0.00 177.43 175.96 2qey h ALA 347 N 1.43 0.42 -0.75 -0.83 0.00 -1.77 -2.58 119.26 115.18 2qey h ALA 347 Ca -0.01 -0.44 0.13 0.00 0.00 0.00 0.00 54.91 54.59 2qey h ALA 347 Cb 1.01 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 2qey h ALA 347 CO 0.07 0.51 0.31 0.82 0.00 0.00 0.00 179.25 180.97 2qey h ILE 348 N 0.50 0.69 -0.53 0.00 1.08 -1.31 -1.79 117.51 116.15 2qey h ILE 348 Ca 0.03 -0.16 -0.09 0.00 -0.39 0.00 0.00 64.86 64.25 2qey h ILE 348 Cb 0.97 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 2qey h ILE 348 CO 0.09 0.09 -0.00 0.11 -0.69 0.00 0.00 178.15 177.74 2qey h LYS 349 N 0.47 0.94 -0.59 2.37 1.57 -1.45 -3.28 116.57 116.60 2qey h LYS 349 Ca 0.40 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 2qey h LYS 349 Cb 0.59 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2qey h LYS 349 CO -0.38 0.95 0.05 1.15 -0.57 0.00 0.00 179.45 180.65 2qey h THR 350 N 0.81 1.26 -0.28 -0.16 2.02 -0.93 -3.33 112.91 112.30 2qey h THR 350 Ca 0.15 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.26 2qey h THR 350 Cb 0.53 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2qey h THR 350 CO 0.03 0.39 0.00 2.30 0.37 0.00 0.00 175.52 178.61 2qey n ILE 351 N -4.26 0.37 0.89 3.11 -5.35 -0.79 -3.84 119.36 109.49 2qey n ILE 351 Ca 0.03 -0.40 0.11 0.00 -0.27 0.00 0.00 62.75 62.22 2qey n ILE 351 Cb 0.31 0.24 0.30 0.00 -1.74 0.00 0.00 39.64 38.74 2qey n ILE 351 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qey n GLN 352 N 0.38 2.07 -3.85 6.28 6.02 -1.25 -4.68 117.38 122.35 2qey n GLN 352 Ca 0.12 -1.60 -0.12 0.00 -0.01 0.00 0.00 57.00 55.39 2qey n GLN 352 Cb 0.28 -1.45 -0.11 0.00 1.02 0.00 0.00 30.24 29.98 2qey n GLN 352 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2qey s LYS 353 N -1.71 0.41 -1.53 -1.09 -2.85 -1.25 -2.66 119.74 109.06 2qey s LYS 353 Ca 0.35 -0.18 -0.14 0.00 -1.00 0.00 0.00 55.97 54.99 2qey s LYS 353 Cb 0.20 0.18 0.11 0.00 -2.06 0.00 0.00 37.83 36.25 2qey s LYS 353 CO 0.29 -0.09 0.79 0.09 0.10 0.00 0.00 175.35 176.53 2qey n ASN 354 N 1.92 -4.12 -4.23 0.03 3.02 -0.09 -4.84 115.26 106.95 2qey n ASN 354 Ca -0.19 -0.74 -0.31 0.00 -0.03 0.00 0.00 54.58 53.30 2qey n ASN 354 Cb 0.57 -3.34 -0.17 0.00 -0.61 0.00 0.00 39.78 36.23 2qey n ASN 354 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qey s THR 355 N -3.19 1.94 -0.23 3.41 2.01 -1.20 -4.43 115.64 113.94 2qey s THR 355 Ca 0.62 -0.99 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 2qey s THR 355 Cb -0.33 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 2qey s THR 355 CO 0.77 0.54 0.17 -0.63 -0.69 0.00 0.00 174.62 174.77 2qey s ILE 356 N 0.00 5.36 -0.04 1.82 1.01 -0.51 -1.43 121.20 127.42 2qey s ILE 356 Ca -0.07 0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.79 2qey s ILE 356 Cb -0.14 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 2qey s ILE 356 CO 0.05 0.36 0.02 -0.36 0.00 0.00 0.00 174.94 175.01 2qey s PHE 357 N 0.89 3.15 -0.09 3.97 0.08 0.10 0.36 117.98 126.44 2qey s PHE 357 Ca 0.08 0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.29 2qey s PHE 357 Cb -0.13 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.61 2qey s PHE 357 CO 0.03 0.48 -0.08 0.99 -0.10 0.00 0.00 175.22 176.55 2qey s THR 358 N -1.02 0.95 -1.25 0.64 2.01 0.07 -0.67 115.64 116.36 2qey s THR 358 Ca 0.17 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.89 2qey s THR 358 Cb -0.12 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.44 2qey s THR 358 CO 0.07 0.34 0.00 0.59 -0.69 0.00 0.00 174.62 174.94 2qey n ASN 359 N 4.61 -4.35 -4.98 3.53 3.02 0.31 -1.78 115.26 115.62 2qey n ASN 359 Ca -0.16 0.08 -0.19 0.00 -0.03 0.00 0.00 54.58 54.28 2qey n ASN 359 Cb 0.50 -3.40 0.03 0.00 -0.61 0.00 0.00 39.78 36.31 2qey n ASN 359 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2qey s VAL 360 N -2.64 2.76 0.38 2.41 -7.23 -1.26 -1.80 120.40 113.01 2qey s VAL 360 Ca 0.00 -0.88 -0.11 0.00 -1.81 0.00 0.00 61.98 59.18 2qey s VAL 360 Cb 0.00 -2.88 -0.07 0.00 0.56 0.00 0.00 36.38 33.99 2qey s VAL 360 CO 0.00 0.00 0.75 0.00 -0.31 0.00 0.00 175.10 175.54 2qey s ALA 361 N -2.55 3.36 -0.11 1.32 0.00 -0.12 -3.92 121.76 119.73 2qey s ALA 361 Ca 0.57 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.39 2qey s ALA 361 Cb -0.09 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 2qey s ALA 361 CO 0.36 0.09 -0.17 -2.00 0.00 0.00 0.00 175.76 174.03 2qey s GLU 362 N -3.62 3.16 0.56 0.00 2.12 0.77 -0.66 118.70 121.04 2qey s GLU 362 Ca 0.51 -0.76 -0.08 0.00 0.36 0.00 0.00 54.97 55.00 2qey s GLU 362 Cb -0.10 -2.48 -0.03 0.00 0.26 0.00 0.00 34.13 31.78 2qey s GLU 362 CO 0.28 0.24 0.92 0.95 -0.54 0.00 0.00 175.26 177.11 2qey s THR 363 N 0.24 4.61 0.53 -1.70 -4.23 -0.44 -0.02 115.64 114.63 2qey s THR 363 Ca -0.11 0.48 0.26 0.00 -1.18 0.00 0.00 61.69 61.14 2qey s THR 363 Cb -0.16 -3.80 0.32 0.00 1.34 0.00 0.00 72.50 70.19 2qey s THR 363 CO 0.06 -0.92 2.18 0.28 -0.54 0.00 0.00 174.62 175.68 2qey h SER 364 N -0.10 0.00 -0.45 3.99 0.02 -1.39 -0.86 113.55 114.77 2qey h SER 364 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2qey h SER 364 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2qey h SER 364 CO 0.62 0.04 0.00 -0.90 -1.14 0.00 0.00 176.83 175.45 2qey n ASP 365 N -3.92 2.90 0.00 3.07 5.75 -1.26 -4.92 116.55 118.17 2qey n ASP 365 Ca -0.03 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 2qey n ASP 365 Cb 0.13 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 2qey n ASP 365 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qey n GLY 366 N 1.04 0.58 3.56 6.12 0.00 -0.33 -3.66 105.19 112.50 2qey n GLY 366 Ca 0.16 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 2qey n GLY 366 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qey n GLY 367 N -1.69 2.13 3.76 -0.02 0.00 -1.25 -2.46 105.19 105.67 2qey n GLY 367 Ca 0.00 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 2qey n GLY 367 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qey s VAL 368 N -2.34 4.42 -0.07 1.61 -7.23 -1.26 -1.33 120.40 114.20 2qey s VAL 368 Ca 0.50 -0.86 -0.13 0.00 -1.81 0.00 0.00 61.98 59.68 2qey s VAL 368 Cb -0.04 -3.15 0.03 0.00 0.56 0.00 0.00 36.38 33.78 2qey s VAL 368 CO 0.32 0.09 0.31 -0.47 -0.31 0.00 0.00 175.10 175.03 2qey s TYR 369 N -1.43 -0.25 0.21 2.82 5.04 0.17 -4.81 117.35 119.09 2qey s TYR 369 Ca 0.29 0.54 -0.21 0.00 -2.44 0.00 0.00 57.07 55.24 2qey s TYR 369 Cb -0.12 0.10 0.04 0.00 0.35 0.00 0.00 41.96 42.34 2qey s TYR 369 CO 0.21 -0.28 0.62 1.67 -1.34 0.00 0.00 175.55 176.44 2qey s TRP 370 N -0.61 -0.32 0.23 4.97 -2.14 -1.26 -0.95 118.94 118.86 2qey s TRP 370 Ca -0.07 -0.00 -0.32 0.00 2.66 0.00 0.00 56.10 58.37 2qey s TRP 370 Cb -0.04 0.57 -0.13 0.00 -3.10 0.00 0.00 33.47 30.77 2qey s TRP 370 CO 0.02 -0.99 1.52 0.39 -2.66 0.00 0.00 176.95 175.23 2qey n GLU 371 N -0.40 2.30 -1.06 3.25 4.71 -1.26 -2.52 120.64 125.66 2qey n GLU 371 Ca -0.11 0.82 -0.02 0.00 -0.01 0.00 0.00 57.16 57.84 2qey n GLU 371 Cb 0.62 -2.55 -0.01 0.00 -1.01 0.00 0.00 31.44 28.49 2qey n GLU 371 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qey n GLY 372 N 2.60 0.55 0.25 0.62 0.00 -1.26 -0.15 105.19 107.80 2qey n GLY 372 Ca 0.12 -0.56 0.14 0.00 0.00 0.00 0.00 46.02 45.72 2qey n GLY 372 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qey h ILE 373 N 0.00 0.31 -6.46 -0.61 2.10 -1.67 -3.37 117.51 107.81 2qey h ILE 373 Ca -0.04 -0.77 -0.50 0.00 1.08 0.00 0.00 64.86 64.63 2qey h ILE 373 Cb 0.19 1.59 -0.08 0.00 -1.09 0.00 0.00 36.82 37.43 2qey h ILE 373 CO 0.06 0.11 -0.82 -0.67 -1.08 0.00 0.00 178.15 175.75 2qey n ASP 374 N -3.29 -2.75 -3.67 2.19 4.64 -1.26 -4.48 116.55 107.92 2qey n ASP 374 Ca -0.00 -0.91 -0.21 0.00 -1.38 0.00 0.00 54.79 52.29 2qey n ASP 374 Cb 0.35 -3.35 -0.18 0.00 -1.04 0.00 0.00 41.12 36.89 2qey n ASP 374 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 2qey s GLU 375 N -6.62 -0.02 0.46 -0.67 2.12 -1.26 -4.86 118.70 107.86 2qey s GLU 375 Ca 0.44 0.31 -0.21 0.00 0.36 0.00 0.00 54.97 55.87 2qey s GLU 375 Cb -0.23 -0.68 -0.09 0.00 0.26 0.00 0.00 34.13 33.39 2qey s GLU 375 CO 0.87 -0.36 1.03 -1.25 -0.54 0.00 0.00 175.26 175.01 2qey s PRO 376 N 2.15 3.90 -0.00 4.30 0.04 -1.26 -5.05 135.00 139.08 2qey s PRO 376 Ca 0.05 1.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.43 2qey s PRO 376 Cb -0.12 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 2qey s PRO 376 CO -0.04 -0.34 0.20 -0.51 0.04 0.00 0.00 177.00 176.35 2qey s LEU 377 N -3.29 4.37 0.57 -3.56 1.43 -1.26 -5.08 118.68 111.85 2qey s LEU 377 Ca 0.65 0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 53.94 2qey s LEU 377 Cb -0.17 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.36 2qey s LEU 377 CO 0.21 0.26 1.19 0.00 0.23 0.00 0.00 176.35 178.24 2qey n ALA 378 N 0.95 0.94 -1.68 4.21 0.00 -1.26 -4.89 120.51 118.78 2qey n ALA 378 Ca -0.11 0.07 -0.44 0.00 0.00 0.00 0.00 53.44 52.96 2qey n ALA 378 Cb 0.53 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 2qey n ALA 378 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2qey n PRO 379 N -1.09 2.52 0.00 0.00 -0.02 -1.26 -1.98 135.00 133.17 2qey n PRO 379 Ca 0.12 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 2qey n PRO 379 Cb 0.46 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 2qey n PRO 379 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qey n GLY 380 N 4.08 2.63 3.65 -1.23 0.00 -1.26 -5.07 105.19 107.98 2qey n GLY 380 Ca 0.19 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2qey n GLY 380 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qey s VAL 381 N -0.56 3.65 0.43 1.61 1.01 -0.84 -5.00 120.40 120.70 2qey s VAL 381 Ca 0.00 0.77 0.08 0.00 0.00 0.00 0.00 61.98 62.82 2qey s VAL 381 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2qey s VAL 381 CO 0.00 -0.12 0.39 0.42 0.00 0.00 0.00 175.10 175.79 2qey s THR 382 N 4.38 2.60 -0.07 3.92 -4.23 -1.26 -4.87 115.64 116.10 2qey s THR 382 Ca 0.72 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.94 2qey s THR 382 Cb -0.30 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.61 2qey s THR 382 CO 0.28 0.00 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.54 2qey s ILE 383 N -2.49 1.66 -0.23 2.99 1.01 -1.26 -0.96 121.20 121.93 2qey s ILE 383 Ca 0.48 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 2qey s ILE 383 Cb -0.03 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2qey s ILE 383 CO 0.28 0.47 0.08 -0.89 0.00 0.00 0.00 174.94 174.88 2qey s THR 384 N 0.26 4.52 1.02 2.92 2.01 0.98 -1.22 115.64 126.12 2qey s THR 384 Ca -0.11 -0.11 -0.13 0.00 0.31 0.00 0.00 61.69 61.65 2qey s THR 384 Cb -0.15 -3.09 0.20 0.00 0.01 0.00 0.00 72.50 69.47 2qey s THR 384 CO 0.05 0.37 1.10 -0.94 -0.69 0.00 0.00 174.62 174.51 2qey s SER 385 N 1.24 2.47 0.14 3.53 1.04 0.11 -0.16 113.70 122.08 2qey s SER 385 Ca 0.05 1.08 0.15 0.00 0.48 0.00 0.00 55.95 57.71 2qey s SER 385 Cb -0.14 -1.70 0.69 0.00 0.10 0.00 0.00 66.02 64.97 2qey s SER 385 CO 0.04 -3.21 1.46 -2.67 0.98 0.00 0.00 173.24 169.83 2qey n TRP 386 N -4.21 0.39 -0.31 5.02 4.27 0.09 -1.12 117.44 121.57 2qey n TRP 386 Ca 0.06 0.17 0.07 0.00 -3.89 0.00 0.00 57.50 53.91 2qey n TRP 386 Cb 0.58 -0.78 0.30 0.00 -1.36 0.00 0.00 31.31 30.05 2qey n TRP 386 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 2qey n LYS 387 N -1.87 3.56 -3.76 -2.67 5.02 -1.26 -4.70 118.16 112.48 2qey n LYS 387 Ca 0.01 -2.39 -0.24 0.00 -2.02 0.00 0.00 58.31 53.68 2qey n LYS 387 Cb 0.11 -1.91 0.03 0.00 -0.02 0.00 0.00 35.03 33.24 2qey n LYS 387 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2qey n ASN 388 N 0.73 -2.12 -4.10 4.39 5.15 -0.28 -5.00 115.26 114.04 2qey n ASN 388 Ca 0.21 -0.81 -0.19 0.00 -0.60 0.00 0.00 54.58 53.20 2qey n ASN 388 Cb 0.84 -4.01 -0.14 0.00 -0.53 0.00 0.00 39.78 35.95 2qey n ASN 388 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2qey s LYS 389 N -6.16 0.83 0.20 1.20 2.47 -1.25 -4.90 119.74 112.13 2qey s LYS 389 Ca 0.18 -0.62 -0.32 0.00 -1.56 0.00 0.00 55.97 53.65 2qey s LYS 389 Cb -0.09 -0.80 -0.12 0.00 -1.46 0.00 0.00 37.83 35.37 2qey s LYS 389 CO 0.82 0.20 1.73 -1.91 0.16 0.00 0.00 175.35 176.35 2qey n GLU 390 N 2.16 2.77 -4.11 4.03 2.13 -1.26 0.09 120.64 126.45 2qey n GLU 390 Ca -0.17 1.00 -0.18 0.00 0.66 0.00 0.00 57.16 58.47 2qey n GLU 390 Cb 0.55 -2.85 -0.16 0.00 0.27 0.00 0.00 31.44 29.25 2qey n GLU 390 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 2qey s TRP 391 N 1.33 0.57 -0.06 4.31 -0.00 -0.36 -4.84 118.94 119.90 2qey s TRP 391 Ca 0.76 -0.12 0.01 0.00 -0.00 0.00 0.00 56.10 56.74 2qey s TRP 391 Cb -0.51 -0.51 -0.03 0.00 -0.00 0.00 0.00 33.47 32.42 2qey s TRP 391 CO 0.33 -0.13 -0.05 1.03 -0.00 0.00 0.00 176.95 178.12 2qey s ARG 392 N 0.70 2.76 0.10 5.86 0.52 -1.26 -4.05 118.95 123.58 2qey s ARG 392 Ca -0.08 -0.55 0.04 0.00 -0.52 0.00 0.00 55.73 54.62 2qey s ARG 392 Cb -0.12 -2.61 0.24 0.00 0.52 0.00 0.00 34.95 32.98 2qey s ARG 392 CO -0.00 0.66 0.98 -2.30 0.02 0.00 0.00 175.30 174.66 2qey n PRO 393 N 2.08 0.03 -0.34 3.54 -0.02 -1.26 -1.87 135.00 137.15 2qey n PRO 393 Ca -0.18 0.40 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 2qey n PRO 393 Cb 0.53 -1.81 0.17 0.00 -0.02 0.00 0.00 33.50 32.38 2qey n PRO 393 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2qey n GLN 394 N -1.56 1.43 -2.60 -0.52 7.27 -1.26 -5.05 117.38 115.09 2qey n GLN 394 Ca -0.00 -2.94 -0.28 0.00 0.07 0.00 0.00 57.00 53.85 2qey n GLN 394 Cb 0.22 -1.55 -0.00 0.00 2.41 0.00 0.00 30.24 31.31 2qey n GLN 394 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2qey s ASP 395 N -3.05 6.28 -0.24 1.69 1.01 -0.78 -4.97 116.67 116.60 2qey s ASP 395 Ca 0.35 0.98 -0.03 0.00 0.71 0.00 0.00 52.55 54.56 2qey s ASP 395 Cb 0.32 -2.27 0.01 0.00 1.01 0.00 0.00 42.92 41.99 2qey s ASP 395 CO -0.02 -0.58 2.70 1.21 0.21 0.00 0.00 175.17 178.68 2qey n GLU 396 N -2.21 1.96 -3.64 8.23 2.13 -1.26 -4.77 120.64 121.09 2qey n GLU 396 Ca 0.01 -1.49 -0.08 0.00 0.66 0.00 0.00 57.16 56.25 2qey n GLU 396 Cb 0.55 -1.82 -0.07 0.00 0.27 0.00 0.00 31.44 30.37 2qey n GLU 396 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2qey s GLU 397 N -0.83 0.66 0.37 5.31 2.56 -1.26 -5.16 118.70 120.36 2qey s GLU 397 Ca 0.46 0.98 -0.26 0.00 0.00 0.00 0.00 54.97 56.15 2qey s GLU 397 Cb 0.28 0.22 -0.09 0.00 2.00 0.00 0.00 34.13 36.54 2qey s GLU 397 CO -0.08 -0.11 1.18 -2.14 -0.56 0.00 0.00 175.26 173.55 2qey s PRO 398 N 1.05 4.18 0.44 4.30 0.02 -1.26 -4.94 135.00 138.78 2qey s PRO 398 Ca -0.05 1.90 0.24 0.00 0.02 0.00 0.00 61.00 63.11 2qey s PRO 398 Cb -0.05 -2.81 0.70 0.00 0.02 0.00 0.00 34.50 32.37 2qey s PRO 398 CO -0.11 -0.23 1.73 0.00 -0.33 0.00 0.00 177.00 178.06 2qey s ALA 400 N -3.40 1.71 0.29 0.00 0.00 -1.26 -0.73 121.76 118.37 2qey s ALA 400 Ca 0.03 -1.31 -0.29 0.00 0.00 0.00 0.00 51.96 50.39 2qey s ALA 400 Cb 0.08 -0.16 -0.10 0.00 0.00 0.00 0.00 23.12 22.93 2qey s ALA 400 CO 0.64 0.23 1.41 -1.58 0.00 0.00 0.00 175.76 176.46 2qey s HIS 401 N -1.72 2.98 0.44 0.00 2.46 -0.75 -4.88 115.29 113.83 2qey s HIS 401 Ca 0.09 1.16 0.26 0.00 0.47 0.00 0.00 55.06 57.03 2qey s HIS 401 Cb -0.07 -3.80 1.29 0.00 -0.13 0.00 0.00 32.58 29.87 2qey s HIS 401 CO 0.04 -2.46 1.75 -1.35 -2.47 0.00 0.00 174.74 170.25 2qey h PRO 402 N 4.33 0.22 -0.48 2.88 0.11 -1.97 -0.04 132.00 137.05 2qey h PRO 402 Ca -0.47 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.30 2qey h PRO 402 Cb 1.22 -0.05 -0.22 0.00 0.11 0.00 0.00 31.00 32.06 2qey h PRO 402 CO 0.73 0.15 -0.37 -1.71 -0.21 0.00 0.00 178.00 176.58 2qey n ASN 403 N -4.51 3.71 -4.74 -2.05 5.15 -1.26 -4.71 115.26 106.85 2qey n ASN 403 Ca 0.28 -3.81 -0.34 0.00 -0.60 0.00 0.00 54.58 50.11 2qey n ASN 403 Cb 1.09 -0.53 0.08 0.00 -0.53 0.00 0.00 39.78 39.89 2qey n ASN 403 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2qey s SER 404 N -3.05 4.50 0.11 1.20 1.04 -0.03 -4.89 113.70 112.59 2qey s SER 404 Ca 0.47 2.26 0.04 0.00 0.48 0.00 0.00 55.95 59.20 2qey s SER 404 Cb 0.41 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.91 2qey s SER 404 CO -0.00 -2.05 -0.11 -0.13 0.98 0.00 0.00 173.24 171.93 2qey s ARG 405 N -3.93 0.91 0.13 4.02 1.81 -0.73 -0.66 118.95 120.50 2qey s ARG 405 Ca 0.72 -1.21 0.07 0.00 -1.72 0.00 0.00 55.73 53.60 2qey s ARG 405 Cb -0.27 -0.63 -0.04 0.00 -0.45 0.00 0.00 34.95 33.56 2qey s ARG 405 CO 0.43 0.10 -0.08 -0.59 -0.68 0.00 0.00 175.30 174.48 2qey s PHE 406 N -2.46 2.74 -0.30 -0.53 -0.12 0.35 -0.75 117.98 116.91 2qey s PHE 406 Ca 0.07 -0.16 0.01 0.00 -0.05 0.00 0.00 56.93 56.80 2qey s PHE 406 Cb -0.03 -1.40 0.09 0.00 -0.63 0.00 0.00 43.02 41.05 2qey s PHE 406 CO 0.01 0.46 0.06 0.00 -0.05 0.00 0.00 175.22 175.69 2qey s THR 408 N 1.40 1.45 0.33 0.00 -1.32 -0.75 -1.43 115.64 115.33 2qey s THR 408 Ca 0.07 -0.98 -0.29 0.00 -1.21 0.00 0.00 61.69 59.29 2qey s THR 408 Cb -0.18 -1.25 -0.11 0.00 -1.51 0.00 0.00 72.50 69.45 2qey s THR 408 CO -0.17 0.25 1.44 -2.84 -2.21 0.00 0.00 174.62 171.09 2qey s PRO 409 N -0.86 4.20 0.28 7.08 0.02 -1.26 -0.90 135.00 143.56 2qey s PRO 409 Ca 0.06 2.43 0.03 0.00 0.02 0.00 0.00 61.00 63.54 2qey s PRO 409 Cb -0.08 -3.03 0.41 0.00 0.02 0.00 0.00 34.50 31.82 2qey s PRO 409 CO 0.01 -0.43 1.71 0.00 -0.33 0.00 0.00 177.00 177.95 2qey h ALA 410 N 3.68 1.09 0.00 -1.55 0.00 -1.70 -2.84 119.26 117.93 2qey h ALA 410 Ca -0.49 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2qey h ALA 410 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qey h ALA 410 CO 0.69 0.57 0.00 -1.13 0.00 0.00 0.00 179.25 179.37 2qey n SER 411 N -4.10 0.43 0.04 0.00 3.41 -1.26 -1.89 113.62 110.25 2qey n SER 411 Ca -0.01 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 2qey n SER 411 Cb 0.42 -0.74 0.15 0.00 -0.26 0.00 0.00 64.21 63.78 2qey n SER 411 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qey n GLN 412 N -2.06 0.24 -1.83 4.33 6.02 -1.07 -4.89 117.38 118.12 2qey n GLN 412 Ca -0.00 0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 2qey n GLN 412 Cb 0.06 -1.63 -0.03 0.00 1.02 0.00 0.00 30.24 29.66 2qey n GLN 412 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qey h PRO 414 N 8.42 0.00 -0.40 0.00 0.13 -1.90 -2.31 132.00 135.94 2qey h PRO 414 Ca -0.44 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.54 2qey h PRO 414 Cb 1.21 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 2qey h PRO 414 CO 0.94 0.11 0.04 0.44 -0.23 0.00 0.00 178.00 179.30 2qey n ILE 415 N -4.16 2.54 -1.72 -3.56 -0.00 -1.26 -5.02 119.36 106.18 2qey n ILE 415 Ca -0.02 -2.29 -0.43 0.00 -0.00 0.00 0.00 62.75 60.01 2qey n ILE 415 Cb 0.19 -0.31 -0.02 0.00 -0.00 0.00 0.00 39.64 39.50 2qey n ILE 415 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2qey n ILE 416 N -0.84 0.90 -2.16 7.28 0.13 -0.87 -1.07 119.36 122.72 2qey n ILE 416 Ca 0.32 -0.22 -0.41 0.00 -1.10 0.00 0.00 62.75 61.34 2qey n ILE 416 Cb 1.07 -1.84 -0.02 0.00 -0.84 0.00 0.00 39.64 38.00 2qey n ILE 416 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 2qey s ASP 417 N 0.51 6.84 0.62 9.51 2.15 0.10 -4.73 116.67 131.67 2qey s ASP 417 Ca 0.66 2.60 0.34 0.00 0.43 0.00 0.00 52.55 56.58 2qey s ASP 417 Cb -0.54 -2.64 1.95 0.00 -0.30 0.00 0.00 42.92 41.39 2qey s ASP 417 CO 0.47 -0.50 2.24 1.55 -0.17 0.00 0.00 175.17 178.76 2qey h PRO 418 N 3.81 0.00 -0.41 4.34 0.13 -1.91 -1.56 132.00 136.41 2qey h PRO 418 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 2qey h PRO 418 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 2qey h PRO 418 CO 0.68 0.00 0.05 0.00 -0.23 0.00 0.00 178.00 178.50 2qey n ALA 419 N -2.24 3.71 0.26 -0.56 0.00 -1.26 -4.69 120.51 115.72 2qey n ALA 419 Ca -0.02 -2.50 0.12 0.00 0.00 0.00 0.00 53.44 51.05 2qey n ALA 419 Cb 0.15 -0.86 0.70 0.00 0.00 0.00 0.00 19.45 19.44 2qey n ALA 419 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2qey h TRP 420 N 1.90 0.00 -0.03 0.00 5.08 -1.60 -2.59 115.95 118.71 2qey h TRP 420 Ca 0.12 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 60.03 2qey h TRP 420 Cb 1.73 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 27.80 2qey h TRP 420 CO 0.83 0.13 -0.62 -0.85 -1.28 0.00 0.00 178.44 176.65 2qey n GLU 421 N -3.67 1.35 -2.22 0.12 0.28 -1.26 -4.53 120.64 110.71 2qey n GLU 421 Ca -0.02 -3.09 -0.42 0.00 -0.16 0.00 0.00 57.16 53.47 2qey n GLU 421 Cb 0.25 -1.33 -0.03 0.00 1.43 0.00 0.00 31.44 31.76 2qey n GLU 421 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2qey s SER 422 N -3.02 6.87 0.48 -1.84 0.15 -0.98 -4.77 113.70 110.58 2qey s SER 422 Ca 0.38 2.21 0.14 0.00 0.70 0.00 0.00 55.95 59.38 2qey s SER 422 Cb 0.37 -2.58 1.13 0.00 -1.71 0.00 0.00 66.02 63.24 2qey s SER 422 CO -0.09 -0.65 2.08 -0.65 1.20 0.00 0.00 173.24 175.13 2qey h PRO 423 N 7.18 0.22 0.00 5.44 0.11 -1.93 -1.99 132.00 141.02 2qey h PRO 423 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2qey h PRO 423 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2qey h PRO 423 CO 0.87 0.14 -0.03 -0.85 -0.21 0.00 0.00 178.00 177.92 2qey n GLU 424 N -4.49 0.18 0.00 1.05 0.00 -1.26 -4.15 120.64 111.96 2qey n GLU 424 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 57.16 57.32 2qey n GLU 424 Cb 0.18 -1.70 0.00 0.00 0.00 0.00 0.00 31.44 29.91 2qey n GLU 424 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2qey n GLY 425 N 1.37 -2.61 3.39 -1.84 0.00 -0.75 -4.67 105.19 100.09 2qey n GLY 425 Ca 0.06 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 2qey n GLY 425 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qey s VAL 426 N -0.89 2.44 -0.40 1.61 -7.23 0.65 -4.74 120.40 111.84 2qey s VAL 426 Ca 0.00 -1.25 -0.29 0.00 -1.81 0.00 0.00 61.98 58.63 2qey s VAL 426 Cb 0.00 -1.98 0.02 0.00 0.56 0.00 0.00 36.38 34.99 2qey s VAL 426 CO 0.00 0.38 1.10 -2.16 -0.31 0.00 0.00 175.10 174.11 2qey s PRO 427 N -1.24 3.88 -0.09 4.82 0.04 -1.26 -0.41 135.00 140.73 2qey s PRO 427 Ca 0.13 0.78 -0.30 0.00 0.04 0.00 0.00 61.00 61.65 2qey s PRO 427 Cb -0.10 -3.83 -0.02 0.00 0.04 0.00 0.00 34.50 30.59 2qey s PRO 427 CO 0.03 -1.15 1.08 0.42 0.04 0.00 0.00 177.00 177.42 2qey s ILE 428 N 4.05 4.58 -0.40 0.56 -1.09 0.23 -3.95 121.20 125.17 2qey s ILE 428 Ca 0.46 1.87 0.11 0.00 -2.23 0.00 0.00 60.65 60.86 2qey s ILE 428 Cb -0.10 -4.20 -0.13 0.00 -1.58 0.00 0.00 42.46 36.45 2qey s ILE 428 CO 0.24 -0.01 0.41 -0.62 -1.23 0.00 0.00 174.94 173.73 2qey n GLU 429 N 5.13 2.79 -3.72 2.79 1.02 -0.55 -4.54 120.64 123.57 2qey n GLU 429 Ca 0.10 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.09 2qey n GLU 429 Cb 0.48 -1.06 -0.10 0.00 -0.02 0.00 0.00 31.44 30.74 2qey n GLU 429 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2qey s GLY 430 N -2.28 -0.33 -0.11 0.62 0.00 -1.24 -2.22 107.32 101.76 2qey s GLY 430 Ca 0.02 1.27 0.03 0.00 0.00 0.00 0.00 44.72 46.04 2qey s GLY 430 CO 0.44 1.12 -0.22 -0.42 0.00 0.00 0.00 173.10 174.03 2qey s ILE 431 N 0.33 1.96 -0.10 0.90 1.01 -0.03 -1.28 121.20 123.98 2qey s ILE 431 Ca -0.01 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.70 2qey s ILE 431 Cb -0.03 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 2qey s ILE 431 CO -0.00 0.54 -0.14 -0.63 0.00 0.00 0.00 174.94 174.70 2qey s ILE 432 N 0.54 3.02 0.21 2.92 1.01 0.41 -1.07 121.20 128.23 2qey s ILE 432 Ca -0.14 -0.69 0.09 0.00 0.00 0.00 0.00 60.65 59.90 2qey s ILE 432 Cb -0.17 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 2qey s ILE 432 CO 0.05 0.55 -0.08 -0.36 0.00 0.00 0.00 174.94 175.09 2qey s PHE 433 N 0.02 2.62 0.00 3.97 0.08 0.23 -0.27 117.98 124.64 2qey s PHE 433 Ca -0.05 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 56.78 2qey s PHE 433 Cb -0.14 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.06 2qey s PHE 433 CO 0.04 0.55 0.00 0.41 -0.10 0.00 0.00 175.22 176.12 2qey n GLY 434 N -0.21 1.74 0.00 4.36 0.00 -1.15 0.04 105.19 109.97 2qey n GLY 434 Ca -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2qey n GLY 434 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qey n GLY 435 N -0.43 3.45 3.49 -0.02 0.00 -1.25 -4.10 105.19 106.34 2qey n GLY 435 Ca 0.00 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 2qey n GLY 435 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qey s ARG 436 N 0.64 3.21 -0.29 1.61 0.52 -1.26 -4.46 118.95 118.91 2qey s ARG 436 Ca 0.00 -0.59 0.02 0.00 -0.52 0.00 0.00 55.73 54.63 2qey s ARG 436 Cb 0.00 -4.02 0.08 0.00 0.52 0.00 0.00 34.95 31.53 2qey s ARG 436 CO 0.00 -1.13 0.00 1.03 0.02 0.00 0.00 175.30 175.22 2qey s ARG 437 N 2.81 1.47 0.51 3.54 1.81 -1.26 0.27 118.95 128.10 2qey s ARG 437 Ca 0.20 -1.34 0.25 0.00 -1.72 0.00 0.00 55.73 53.12 2qey s ARG 437 Cb -0.16 -2.71 1.38 0.00 -0.45 0.00 0.00 34.95 33.01 2qey s ARG 437 CO 0.16 -0.78 2.06 -1.00 -0.68 0.00 0.00 175.30 175.06 2qey h PRO 438 N 7.85 0.00 -4.20 3.54 0.13 -1.90 -3.01 132.00 134.41 2qey h PRO 438 Ca -0.13 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.82 2qey h PRO 438 Cb 1.04 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.97 2qey h PRO 438 CO 0.46 0.13 -0.70 0.00 -0.23 0.00 0.00 178.00 177.66 2qey s ALA 439 N -4.26 0.35 0.00 -0.56 0.00 -1.26 -0.64 121.76 115.39 2qey s ALA 439 Ca -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2qey s ALA 439 Cb 0.14 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.40 2qey s ALA 439 CO 0.60 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.60 2qey n GLY 440 N 1.19 2.56 3.57 0.00 0.00 -1.26 -4.97 105.19 106.28 2qey n GLY 440 Ca -0.21 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 2qey n GLY 440 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qey s VAL 441 N -0.63 5.26 0.92 1.61 1.01 -1.26 -4.71 120.40 122.60 2qey s VAL 441 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 2qey s VAL 441 Cb 0.00 -3.66 0.08 0.00 0.00 0.00 0.00 36.38 32.80 2qey s VAL 441 CO 0.00 0.10 0.73 -2.65 0.00 0.00 0.00 175.10 173.28 2qey n PRO 442 N 5.17 -0.28 -0.17 2.72 -0.02 -1.26 -4.81 135.00 136.34 2qey n PRO 442 Ca -0.12 -0.03 -0.01 0.00 -2.02 0.00 0.00 63.50 61.32 2qey n PRO 442 Cb 0.51 -2.08 0.07 0.00 -0.02 0.00 0.00 33.50 31.98 2qey n PRO 442 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qey h LEU 443 N -1.56 -0.16 -7.30 2.45 5.85 -1.70 -3.31 115.31 109.58 2qey h LEU 443 Ca -0.44 0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.28 2qey h LEU 443 Cb 1.28 0.20 -0.25 0.00 0.37 0.00 0.00 40.66 42.26 2qey h LEU 443 CO 0.38 -0.05 -0.28 0.54 -0.34 0.00 0.00 178.44 178.69 2qey s VAL 444 N -6.15 -0.01 0.05 1.05 0.11 -1.26 -0.45 120.40 113.74 2qey s VAL 444 Ca -0.13 0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 58.94 2qey s VAL 444 Cb 0.17 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2qey s VAL 444 CO 0.73 0.01 -0.02 -0.72 -3.33 0.00 0.00 175.10 171.78 2qey s TYR 445 N 0.63 0.50 -0.12 1.54 1.13 -0.20 -4.54 117.35 116.28 2qey s TYR 445 Ca -0.03 -1.04 0.03 0.00 -1.41 0.00 0.00 57.07 54.61 2qey s TYR 445 Cb -0.05 -0.37 0.00 0.00 -1.10 0.00 0.00 41.96 40.44 2qey s TYR 445 CO -0.04 -0.39 -0.21 -2.00 -2.51 0.00 0.00 175.55 170.40 2qey s GLU 446 N -3.92 3.09 0.49 -3.49 2.12 0.15 -0.35 118.70 116.80 2qey s GLU 446 Ca 0.07 -0.84 -0.24 0.00 0.36 0.00 0.00 54.97 54.33 2qey s GLU 446 Cb 0.08 -2.42 -0.07 0.00 0.26 0.00 0.00 34.13 31.98 2qey s GLU 446 CO -0.10 0.10 1.40 0.00 -0.54 0.00 0.00 175.26 176.12 2qey s ALA 447 N 0.55 3.07 -0.32 6.30 0.00 -0.22 -1.02 121.76 130.12 2qey s ALA 447 Ca -0.13 1.41 0.26 0.00 0.00 0.00 0.00 51.96 53.51 2qey s ALA 447 Cb -0.17 -3.58 0.68 0.00 0.00 0.00 0.00 23.12 20.05 2qey s ALA 447 CO 0.04 -1.27 1.73 -0.07 0.00 0.00 0.00 175.76 176.19 2qey h LEU 448 N 1.97 0.00 -7.94 0.00 3.38 -1.89 -3.45 115.31 107.38 2qey h LEU 448 Ca -0.51 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.53 2qey h LEU 448 Cb 1.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 2qey h LEU 448 CO 0.59 0.00 0.38 -0.94 0.09 0.00 0.00 178.44 178.56 2qey s SER 449 N -5.87 -0.06 0.18 -0.43 1.04 -1.26 -4.99 113.70 102.30 2qey s SER 449 Ca 0.06 -0.84 -0.14 0.00 0.48 0.00 0.00 55.95 55.51 2qey s SER 449 Cb 0.07 0.69 0.08 0.00 0.10 0.00 0.00 66.02 66.96 2qey s SER 449 CO 0.62 -1.35 1.84 -0.25 0.98 0.00 0.00 173.24 175.08 2qey h TRP 450 N 2.00 0.66 -0.44 5.02 2.91 -1.92 0.29 115.95 124.47 2qey h TRP 450 Ca -0.28 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 59.70 2qey h TRP 450 Cb 1.24 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.65 2qey h TRP 450 CO 1.08 0.41 0.05 1.96 -1.03 0.00 0.00 178.44 180.91 2qey h GLN 451 N 0.71 0.74 -0.59 2.65 7.50 -1.96 0.53 115.11 124.69 2qey h GLN 451 Ca 0.20 -0.21 -0.05 0.00 0.50 0.00 0.00 58.65 59.09 2qey h GLN 451 Cb -0.06 -0.08 -0.03 0.00 0.05 0.00 0.00 27.48 27.36 2qey h GLN 451 CO -0.05 0.78 0.16 1.25 -1.50 0.00 0.00 178.83 179.47 2qey h HIS 452 N 0.59 0.93 -0.70 2.96 2.76 -1.91 -2.19 115.15 117.60 2qey h HIS 452 Ca 0.13 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 2qey h HIS 452 Cb 0.42 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 2qey h HIS 452 CO 0.03 0.76 0.40 0.78 -1.30 0.00 0.00 177.93 178.60 2qey h GLY 453 N 1.01 1.03 1.14 5.26 0.00 -0.27 -0.09 103.07 111.14 2qey h GLY 453 Ca 0.19 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 2qey h GLY 453 CO -0.00 0.43 0.18 -2.08 0.00 0.00 0.00 176.54 175.07 2qey h VAL 454 N 0.95 1.25 -0.66 4.60 2.07 -0.75 -2.04 116.25 121.68 2qey h VAL 454 Ca 0.25 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2qey h VAL 454 Cb 0.01 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2qey h VAL 454 CO -0.04 0.35 0.37 0.15 0.02 0.00 0.00 177.57 178.42 2qey h PHE 455 N 1.02 0.89 -0.36 1.57 3.57 -0.95 -1.49 116.94 121.20 2qey h PHE 455 Ca 0.22 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 2qey h PHE 455 Cb 0.33 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2qey h PHE 455 CO 0.02 0.63 0.21 0.28 -2.23 0.00 0.00 178.31 177.23 2qey h VAL 456 N 0.90 1.12 -0.74 1.41 2.07 -0.71 0.66 116.25 120.95 2qey h VAL 456 Ca 0.23 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2qey h VAL 456 Cb 0.03 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 2qey h VAL 456 CO -0.04 0.12 0.45 1.23 0.02 0.00 0.00 177.57 179.35 2qey h GLY 457 N 0.46 1.09 2.00 2.17 0.00 -1.27 -2.79 103.07 104.73 2qey h GLY 457 Ca 0.13 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 2qey h GLY 457 CO -0.02 0.25 -0.36 0.00 0.00 0.00 0.00 176.54 176.41 2qey h ALA 458 N 1.34 1.16 -0.06 3.60 0.00 -0.59 0.78 119.26 125.49 2qey h ALA 458 Ca 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qey h ALA 458 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qey h ALA 458 CO -0.14 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.56 2qey n ALA 459 N -2.36 2.55 -1.65 0.00 0.00 0.16 -4.45 120.51 114.77 2qey n ALA 459 Ca -0.01 -0.48 -0.48 0.00 0.00 0.00 0.00 53.44 52.47 2qey n ALA 459 Cb 0.45 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 2qey n ALA 459 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2qey n MET 460 N 0.26 1.90 -4.24 0.00 2.81 -1.14 -4.92 117.12 111.79 2qey n MET 460 Ca 0.18 0.69 -0.18 0.00 -1.81 0.00 0.00 57.70 56.58 2qey n MET 460 Cb 0.36 -2.43 -0.11 0.00 -0.71 0.00 0.00 33.22 30.33 2qey n MET 460 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2qey s ARG 461 N 1.21 1.03 -0.05 0.03 0.52 -1.26 -1.02 118.95 119.41 2qey s ARG 461 Ca 0.82 -1.26 -0.22 0.00 -0.52 0.00 0.00 55.73 54.55 2qey s ARG 461 Cb -0.75 -0.88 0.05 0.00 0.52 0.00 0.00 34.95 33.89 2qey s ARG 461 CO 0.42 0.16 0.49 0.45 0.02 0.00 0.00 175.30 176.85 2qey s SER 462 N -2.53 -0.43 0.00 0.23 0.15 -0.24 -4.35 113.70 106.53 2qey s SER 462 Ca 0.10 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2qey s SER 462 Cb -0.04 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2qey s SER 462 CO 0.03 -0.49 0.00 -0.62 1.20 0.00 0.00 173.24 173.35 2qey n GLU 463 N 1.26 0.00 0.00 5.44 1.02 0.14 -1.84 120.64 126.66 2qey n GLU 463 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 2qey n GLU 463 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 2qey n GLU 463 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2qey n VAL 474 N 0.00 0.00 -3.71 2.62 0.31 -1.26 -4.86 118.33 111.43 2qey n VAL 474 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 2qey n VAL 474 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 2qey n VAL 474 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2qey s ILE 475 N 0.00 4.44 0.27 2.52 1.01 -1.26 -5.10 121.20 123.08 2qey s ILE 475 Ca 0.00 -0.27 0.10 0.00 0.00 0.00 0.00 60.65 60.48 2qey s ILE 475 Cb 0.00 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 2qey s ILE 475 CO 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 174.94 175.08 2qey s MET 476 N 1.61 2.05 0.24 2.79 0.23 -0.77 -4.88 119.30 120.58 2qey s MET 476 Ca 0.06 -1.54 -0.30 0.00 -1.03 0.00 0.00 55.69 52.88 2qey s MET 476 Cb -0.16 -2.01 -0.09 0.00 -1.53 0.00 0.00 34.83 31.04 2qey s MET 476 CO 0.05 0.36 0.98 -1.01 -2.03 0.00 0.00 175.02 173.36 2qey s HIS 477 N -2.35 3.89 -0.44 3.16 3.76 -1.26 -1.08 115.29 120.97 2qey s HIS 477 Ca 0.30 1.86 0.06 0.00 -0.15 0.00 0.00 55.06 57.14 2qey s HIS 477 Cb -0.06 -3.05 0.22 0.00 1.11 0.00 0.00 32.58 30.80 2qey s HIS 477 CO 0.18 0.23 0.60 -3.47 -0.85 0.00 0.00 174.74 171.43 2qey n ASP 478 N 1.51 -1.41 -4.70 1.40 -0.08 -0.19 -4.93 116.55 108.14 2qey n ASP 478 Ca -0.02 -2.80 -0.43 0.00 -1.51 0.00 0.00 54.79 50.04 2qey n ASP 478 Cb 0.47 0.42 -0.03 0.00 2.34 0.00 0.00 41.12 44.32 2qey n ASP 478 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2qey n PRO 479 N 2.12 2.71 -1.24 -0.67 -0.04 -1.25 -1.86 135.00 134.75 2qey n PRO 479 Ca 0.20 0.98 -0.08 0.00 -0.04 0.00 0.00 63.50 64.55 2qey n PRO 479 Cb 0.55 -2.83 -0.04 0.00 -0.04 0.00 0.00 33.50 31.14 2qey n PRO 479 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2qey n PHE 480 N 4.42 0.00 -2.14 0.54 3.01 0.26 -0.83 117.46 122.72 2qey n PHE 480 Ca 0.17 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.44 2qey n PHE 480 Cb 0.35 -2.53 -0.03 0.00 -0.01 0.00 0.00 39.48 37.26 2qey n PHE 480 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qey n ALA 481 N 1.16 -0.54 0.02 4.37 0.00 -0.78 -4.62 120.51 120.12 2qey n ALA 481 Ca -0.08 0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.59 2qey n ALA 481 Cb 0.56 -1.97 0.07 0.00 0.00 0.00 0.00 19.45 18.11 2qey n ALA 481 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2qey n MET 482 N -2.73 1.94 -0.18 0.00 2.00 -0.01 -4.79 117.12 113.36 2qey n MET 482 Ca -0.21 -1.54 -0.01 0.00 0.00 0.00 0.00 57.70 55.94 2qey n MET 482 Cb 0.65 -1.16 0.08 0.00 0.00 0.00 0.00 33.22 32.79 2qey n MET 482 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 2qey h ARG 483 N 1.32 0.13 0.00 0.03 2.43 -1.85 0.30 114.38 116.74 2qey h ARG 483 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2qey h ARG 483 Cb 0.53 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2qey h ARG 483 CO 0.00 0.08 0.00 -0.35 -1.51 0.00 0.00 179.97 178.19 2qey n PRO 484 N -5.24 0.93 0.00 0.20 -0.05 -1.26 -4.27 135.00 125.32 2qey n PRO 484 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.52 2qey n PRO 484 Cb 0.30 -1.34 0.00 0.00 -0.05 0.00 0.00 33.50 32.40 2qey n PRO 484 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 2qey n PHE 485 N -0.84 0.00 -1.68 0.54 3.72 1.00 -5.03 117.46 115.16 2qey n PHE 485 Ca 0.15 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.11 2qey n PHE 485 Cb 0.07 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.57 2qey n PHE 485 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2qey n PHE 486 N -0.34 2.45 1.22 1.38 3.72 -0.75 -3.71 117.46 121.44 2qey n PHE 486 Ca 0.00 -0.07 0.14 0.00 -0.05 0.00 0.00 57.45 57.48 2qey n PHE 486 Cb 0.04 -2.69 0.63 0.00 -0.94 0.00 0.00 39.48 36.53 2qey n PHE 486 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qey n GLY 487 N 4.19 -1.30 3.85 1.37 0.00 -1.25 -4.92 105.19 107.12 2qey n GLY 487 Ca 0.20 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 2qey n GLY 487 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qey s TYR 488 N -2.76 0.12 -0.41 1.61 1.13 -1.26 -4.74 117.35 111.05 2qey s TYR 488 Ca 0.21 -0.69 -0.43 0.00 -1.41 0.00 0.00 57.07 54.75 2qey s TYR 488 Cb 0.19 0.79 -0.18 0.00 -1.10 0.00 0.00 41.96 41.67 2qey s TYR 488 CO 0.51 -1.31 1.78 -1.71 -2.51 0.00 0.00 175.55 172.32 2qey n ASN 489 N -1.41 1.65 -0.22 -0.18 2.85 -0.33 -4.72 115.26 112.91 2qey n ASN 489 Ca -0.06 1.01 -0.01 0.00 -0.11 0.00 0.00 54.58 55.42 2qey n ASN 489 Cb 0.60 -1.01 0.21 0.00 1.24 0.00 0.00 39.78 40.82 2qey n ASN 489 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 2qey h PHE 490 N 6.99 0.98 -0.67 1.20 3.57 -1.90 -0.26 116.94 126.85 2qey h PHE 490 Ca -0.39 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.16 2qey h PHE 490 Cb 1.35 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 2qey h PHE 490 CO 0.77 0.66 0.39 0.78 -2.23 0.00 0.00 178.31 178.68 2qey h GLY 491 N 1.05 0.97 1.73 2.40 0.00 -1.90 0.11 103.07 107.43 2qey h GLY 491 Ca 0.27 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 2qey h GLY 491 CO -0.05 0.21 -0.37 0.50 0.00 0.00 0.00 176.54 176.83 2qey h LYS 492 N 0.74 0.31 -0.52 4.80 1.79 -1.58 -1.59 116.57 120.51 2qey h LYS 492 Ca 0.28 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 2qey h LYS 492 Cb 0.11 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 2qey h LYS 492 CO -0.15 0.64 0.25 -0.92 -1.08 0.00 0.00 179.45 178.20 2qey h TYR 493 N 0.26 0.75 -0.56 -1.35 5.03 -0.36 0.37 116.97 121.11 2qey h TYR 493 Ca 0.03 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 2qey h TYR 493 Cb 0.78 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.80 2qey h TYR 493 CO 0.02 0.59 0.32 -0.07 -1.32 0.00 0.00 178.16 177.69 2qey h LEU 494 N 0.70 0.70 -1.07 2.82 3.38 -0.57 -1.62 115.31 119.64 2qey h LEU 494 Ca 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2qey h LEU 494 Cb 0.12 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2qey h LEU 494 CO -0.02 0.58 0.42 0.00 0.09 0.00 0.00 178.44 179.51 2qey h ALA 495 N 1.15 1.29 -0.30 1.53 0.00 -1.07 -1.18 119.26 120.67 2qey h ALA 495 Ca 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2qey h ALA 495 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2qey h ALA 495 CO -0.03 0.58 0.13 1.25 0.00 0.00 0.00 179.25 181.17 2qey h HIS 496 N 1.08 0.44 -0.46 0.00 -0.00 -0.52 -0.54 115.15 115.15 2qey h HIS 496 Ca 0.27 -0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.63 2qey h HIS 496 Cb 0.03 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.28 2qey h HIS 496 CO 0.01 0.42 0.29 -1.49 -0.00 0.00 0.00 177.93 177.16 2qey h TRP 497 N 0.33 0.55 -0.67 5.26 4.06 -1.11 -2.96 115.95 121.41 2qey h TRP 497 Ca 0.10 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.03 2qey h TRP 497 Cb 0.16 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 2qey h TRP 497 CO -0.01 0.33 0.30 -0.07 -3.56 0.00 0.00 178.44 175.43 2qey h LEU 498 N 0.59 0.88 -2.62 -4.49 3.38 -0.98 -2.91 115.31 109.15 2qey h LEU 498 Ca 0.17 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qey h LEU 498 Cb -0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 2qey h LEU 498 CO -0.06 0.77 -0.01 0.77 0.09 0.00 0.00 178.44 180.00 2qey h SER 499 N 0.96 0.00 0.16 -0.43 4.64 -0.92 -2.54 113.55 115.41 2qey h SER 499 Ca 0.23 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 2qey h SER 499 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2qey h SER 499 CO -0.03 0.01 -0.09 0.24 -0.87 0.00 0.00 176.83 176.09 2qey h MET 500 N 0.00 0.00 0.00 4.77 2.86 -1.54 -1.62 114.93 119.40 2qey h MET 500 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qey h MET 500 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2qey h MET 500 CO 0.00 0.09 0.00 0.00 1.06 0.00 0.00 176.91 178.06 2qey h ALA 501 N 1.91 1.00 -0.59 6.32 0.00 -1.66 -2.70 119.26 123.54 2qey h ALA 501 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qey h ALA 501 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2qey h ALA 501 CO 0.01 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.98 2qey n HIS 502 N -2.90 0.87 -2.84 0.00 8.25 -0.61 -4.97 115.22 113.01 2qey n HIS 502 Ca 0.00 -0.52 -0.36 0.00 -0.26 0.00 0.00 57.72 56.58 2qey n HIS 502 Cb 0.26 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.26 2qey n HIS 502 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2qey s ARG 503 N -1.14 4.48 -0.07 -0.41 3.52 -1.02 -4.98 118.95 119.32 2qey s ARG 503 Ca 0.41 1.22 -0.32 0.00 -0.13 0.00 0.00 55.73 56.90 2qey s ARG 503 Cb 0.22 -2.74 -0.10 0.00 -1.56 0.00 0.00 34.95 30.77 2qey s ARG 503 CO 0.26 0.26 1.98 -2.30 -0.81 0.00 0.00 175.30 174.69 2qey n PRO 504 N 0.44 2.35 -1.40 5.12 -0.02 -1.26 -2.80 135.00 137.43 2qey n PRO 504 Ca 0.02 0.83 -0.14 0.00 -2.02 0.00 0.00 63.50 62.19 2qey n PRO 504 Cb 0.51 -2.85 -0.06 0.00 -0.02 0.00 0.00 33.50 31.08 2qey n PRO 504 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qey n ALA 505 N 7.80 -0.21 -1.69 3.55 0.00 -1.26 -4.62 120.51 124.08 2qey n ALA 505 Ca 0.24 0.22 -0.44 0.00 0.00 0.00 0.00 53.44 53.46 2qey n ALA 505 Cb 0.35 -1.75 -0.04 0.00 0.00 0.00 0.00 19.45 18.02 2qey n ALA 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qey n ALA 506 N 1.25 2.03 -3.28 0.00 0.00 -1.12 -4.16 120.51 115.24 2qey n ALA 506 Ca -0.14 0.40 -0.46 0.00 0.00 0.00 0.00 53.44 53.24 2qey n ALA 506 Cb 0.57 -2.46 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 2qey n ALA 506 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qey s LYS 507 N 1.49 3.41 -0.10 0.00 1.02 0.88 -5.03 119.74 121.40 2qey s LYS 507 Ca 0.79 -2.14 -0.30 0.00 0.02 0.00 0.00 55.97 54.35 2qey s LYS 507 Cb -0.58 -4.42 -0.03 0.00 -0.52 0.00 0.00 37.83 32.27 2qey s LYS 507 CO 0.36 -1.35 1.38 -0.51 -0.92 0.00 0.00 175.35 174.31 2qey s LEU 508 N 0.90 4.25 0.66 3.17 1.43 -1.26 -4.53 118.68 123.30 2qey s LEU 508 Ca 0.15 1.92 -0.17 0.00 -1.03 0.00 0.00 54.13 54.99 2qey s LEU 508 Cb -0.16 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.51 2qey s LEU 508 CO -0.05 -0.78 1.25 -2.84 0.23 0.00 0.00 176.35 174.16 2qey s PRO 509 N 3.29 2.54 0.36 1.29 0.02 -1.26 -4.98 135.00 136.27 2qey s PRO 509 Ca 0.61 1.92 -0.27 0.00 0.02 0.00 0.00 61.00 63.28 2qey s PRO 509 Cb -0.27 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.30 2qey s PRO 509 CO 0.21 -1.57 1.23 0.21 -0.33 0.00 0.00 177.00 176.75 2qey s LYS 510 N -3.51 4.22 -0.13 5.54 2.20 -0.94 -4.81 119.74 122.32 2qey s LYS 510 Ca 0.79 2.01 0.01 0.00 -0.36 0.00 0.00 55.97 58.42 2qey s LYS 510 Cb -0.33 -2.89 -0.01 0.00 -1.51 0.00 0.00 37.83 33.08 2qey s LYS 510 CO 0.39 -0.23 -0.15 0.42 -0.36 0.00 0.00 175.35 175.43 2qey s ILE 511 N -1.26 2.87 0.23 5.43 1.01 -1.26 -0.85 121.20 127.36 2qey s ILE 511 Ca 0.53 -0.73 0.11 0.00 0.00 0.00 0.00 60.65 60.55 2qey s ILE 511 Cb -0.35 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 2qey s ILE 511 CO 0.45 0.53 -0.20 -0.36 0.00 0.00 0.00 174.94 175.37 2qey s PHE 512 N 0.37 2.11 -0.06 3.97 0.40 -0.23 -1.06 117.98 123.48 2qey s PHE 512 Ca -0.12 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.83 2qey s PHE 512 Cb -0.16 -0.97 0.01 0.00 0.51 0.00 0.00 43.02 42.40 2qey s PHE 512 CO 0.06 0.55 -0.13 -1.58 0.70 0.00 0.00 175.22 174.82 2qey s HIS 513 N -2.33 1.51 0.24 0.36 2.46 0.53 -0.60 115.29 117.45 2qey s HIS 513 Ca 0.24 -0.54 0.11 0.00 0.47 0.00 0.00 55.06 55.34 2qey s HIS 513 Cb -0.05 -1.09 -0.05 0.00 -0.13 0.00 0.00 32.58 31.27 2qey s HIS 513 CO 0.11 -0.26 -0.13 0.14 -2.47 0.00 0.00 174.74 172.13 2qey s VAL 514 N 0.56 2.89 -0.29 0.89 -7.23 0.11 -1.04 120.40 116.28 2qey s VAL 514 Ca -0.13 -2.06 -0.03 0.00 -1.81 0.00 0.00 61.98 57.96 2qey s VAL 514 Cb -0.15 -2.49 0.11 0.00 0.56 0.00 0.00 36.38 34.41 2qey s VAL 514 CO 0.04 -0.29 0.19 0.21 -0.31 0.00 0.00 175.10 174.94 2qey s ASN 515 N -3.29 2.79 0.18 4.85 3.04 0.40 -3.87 114.94 119.04 2qey s ASN 515 Ca 0.28 -1.06 0.25 0.00 0.04 0.00 0.00 52.86 52.37 2qey s ASN 515 Cb -0.07 -0.01 0.90 0.00 -1.54 0.00 0.00 41.25 40.53 2qey s ASN 515 CO 0.16 -0.42 1.77 0.79 -3.04 0.00 0.00 177.10 176.36 2qey n TRP 516 N 5.27 0.73 -0.25 0.43 5.03 -1.26 -4.29 117.44 123.10 2qey n TRP 516 Ca -0.05 0.23 0.06 0.00 3.03 0.00 0.00 57.50 60.78 2qey n TRP 516 Cb 0.44 -0.88 0.17 0.00 -1.03 0.00 0.00 31.31 30.01 2qey n TRP 516 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 2qey n PHE 517 N -2.11 0.53 -1.95 -5.99 3.72 -1.26 -4.63 117.46 105.76 2qey n PHE 517 Ca 0.05 -0.53 -0.42 0.00 -0.05 0.00 0.00 57.45 56.50 2qey n PHE 517 Cb 0.36 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 2qey n PHE 517 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2qey s ARG 518 N -1.16 4.23 0.18 -1.08 3.52 -1.14 -3.99 118.95 119.50 2qey s ARG 518 Ca 0.26 2.36 0.10 0.00 -0.13 0.00 0.00 55.73 58.31 2qey s ARG 518 Cb 0.15 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 2qey s ARG 518 CO 0.16 -0.54 -0.15 0.15 -0.81 0.00 0.00 175.30 174.11 2qey s LYS 519 N 0.43 1.86 0.69 5.12 1.02 0.19 -1.10 119.74 127.94 2qey s LYS 519 Ca 0.65 -1.34 -0.10 0.00 0.02 0.00 0.00 55.97 55.21 2qey s LYS 519 Cb -0.43 -2.06 0.16 0.00 -0.52 0.00 0.00 37.83 34.98 2qey s LYS 519 CO 0.37 0.43 0.94 -0.40 -0.92 0.00 0.00 175.35 175.78 2qey n ASP 520 N 0.21 0.28 0.15 2.83 3.85 -0.62 -4.76 116.55 118.49 2qey n ASP 520 Ca -0.12 -1.47 0.11 0.00 -0.71 0.00 0.00 54.79 52.60 2qey n ASP 520 Cb 0.55 -0.70 0.54 0.00 -1.35 0.00 0.00 41.12 40.16 2qey n ASP 520 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 2qey n LYS 521 N -2.96 0.15 0.00 0.11 2.85 -1.26 -1.32 118.16 115.74 2qey n LYS 521 Ca 0.12 0.56 0.11 0.00 -1.05 0.00 0.00 58.31 58.06 2qey n LYS 521 Cb 0.44 -1.91 0.02 0.00 -0.65 0.00 0.00 35.03 32.92 2qey n LYS 521 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2qey n ASN 522 N -2.22 2.13 0.00 -5.58 3.02 -1.26 -4.99 115.26 106.36 2qey n ASN 522 Ca -0.00 -1.56 0.00 0.00 -0.03 0.00 0.00 54.58 52.99 2qey n ASN 522 Cb 0.09 0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 2qey n ASN 522 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qey n GLY 523 N 1.41 0.71 3.89 7.41 0.00 -0.43 -5.08 105.19 113.11 2qey n GLY 523 Ca 0.10 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2qey n GLY 523 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qey s LYS 524 N -0.75 3.38 0.17 1.61 -2.85 -1.26 -4.84 119.74 115.19 2qey s LYS 524 Ca 0.00 -0.39 -0.32 0.00 -1.00 0.00 0.00 55.97 54.26 2qey s LYS 524 Cb 0.00 -3.04 -0.11 0.00 -2.06 0.00 0.00 37.83 32.62 2qey s LYS 524 CO 0.00 0.65 1.67 -0.06 0.10 0.00 0.00 175.35 177.71 2qey s PHE 525 N -1.38 2.82 -0.11 1.78 0.40 -1.26 -1.58 117.98 118.65 2qey s PHE 525 Ca 0.29 0.40 0.29 0.00 -0.60 0.00 0.00 56.93 57.32 2qey s PHE 525 Cb -0.13 -4.04 0.96 0.00 0.51 0.00 0.00 43.02 40.32 2qey s PHE 525 CO 0.21 -3.99 1.84 -0.07 0.70 0.00 0.00 175.22 173.91 2qey h LEU 526 N 7.22 0.00 -8.16 -0.37 3.38 -1.44 -3.44 115.31 112.49 2qey h LEU 526 Ca -0.43 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.93 2qey h LEU 526 Cb 1.20 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.62 2qey h LEU 526 CO 0.94 0.00 -0.85 0.86 0.09 0.00 0.00 178.44 179.48 2qey s TRP 527 N -3.49 2.08 0.37 1.13 -0.11 -1.26 -4.67 118.94 112.99 2qey s TRP 527 Ca 0.03 -0.85 0.26 0.00 1.22 0.00 0.00 56.10 56.77 2qey s TRP 527 Cb 0.07 -1.43 1.32 0.00 -1.50 0.00 0.00 33.47 31.93 2qey s TRP 527 CO 0.59 -0.37 2.02 -1.00 -4.62 0.00 0.00 176.95 173.57 2qey h PRO 528 N 6.90 0.00 0.00 5.86 0.13 -1.91 -3.48 132.00 139.49 2qey h PRO 528 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2qey h PRO 528 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2qey h PRO 528 CO 0.48 0.15 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 2qey n GLY 529 N -0.56 0.95 7.00 1.56 0.00 -1.26 -4.89 105.19 107.99 2qey n GLY 529 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2qey n GLY 529 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qey n PHE 530 N 0.00 0.00 -0.01 1.61 3.72 -1.26 -1.64 117.46 119.89 2qey n PHE 530 Ca 0.00 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.61 2qey n PHE 530 Cb 0.00 0.00 0.71 0.00 -0.94 0.00 0.00 39.48 39.25 2qey n PHE 530 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2qey h GLY 531 N 0.00 0.00 1.95 1.37 0.00 -1.86 -0.49 103.07 104.05 2qey h GLY 531 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qey h GLY 531 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 2qey n GLU 532 N -4.24 0.03 0.00 4.80 -0.58 -0.65 -2.55 120.64 117.45 2qey n GLU 532 Ca 0.10 0.15 0.08 0.00 -0.42 0.00 0.00 57.16 57.08 2qey n GLU 532 Cb 0.65 -1.50 0.40 0.00 -0.57 0.00 0.00 31.44 30.42 2qey n GLU 532 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2qey n ASN 533 N -1.47 0.00 0.27 1.62 3.02 -0.19 -2.36 115.26 116.14 2qey n ASN 533 Ca 0.05 0.26 0.12 0.00 -0.03 0.00 0.00 54.58 54.99 2qey n ASN 533 Cb 0.22 -0.39 0.76 0.00 -0.61 0.00 0.00 39.78 39.77 2qey n ASN 533 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2qey h SER 534 N 0.00 0.00 -0.13 6.41 4.64 -1.72 -1.41 113.55 121.34 2qey h SER 534 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2qey h SER 534 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2qey h SER 534 CO 0.00 0.08 -0.33 0.03 -0.87 0.00 0.00 176.83 175.74 2qey h ARG 535 N 0.00 0.63 -0.14 4.77 3.08 -1.74 0.01 114.38 120.99 2qey h ARG 535 Ca -0.00 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.69 2qey h ARG 535 Cb 0.21 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2qey h ARG 535 CO 0.01 0.88 -0.18 0.28 -1.07 0.00 0.00 179.97 179.89 2qey h VAL 536 N 0.53 1.36 -0.16 2.04 2.07 -1.56 -3.06 116.25 117.46 2qey h VAL 536 Ca 0.06 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 2qey h VAL 536 Cb 0.83 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 2qey h VAL 536 CO 0.07 0.41 0.05 -0.07 0.02 0.00 0.00 177.57 178.04 2qey h LEU 537 N -0.02 0.20 -0.35 2.57 3.38 -1.19 -1.83 115.31 118.07 2qey h LEU 537 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2qey h LEU 537 Cb 0.74 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2qey h LEU 537 CO 0.04 0.21 0.18 -0.08 0.09 0.00 0.00 178.44 178.88 2qey h GLU 538 N 0.23 0.50 -0.59 1.13 4.81 -0.98 -0.08 114.58 119.60 2qey h GLU 538 Ca 0.06 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2qey h GLU 538 Cb 0.08 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2qey h GLU 538 CO -0.00 0.44 0.26 2.35 -0.73 0.00 0.00 179.01 181.32 2qey h TRP 539 N 0.44 0.87 -0.44 0.92 7.01 -1.31 -1.48 115.95 121.96 2qey h TRP 539 Ca 0.12 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.07 2qey h TRP 539 Cb 0.09 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 26.86 2qey h TRP 539 CO -0.02 0.68 0.29 0.52 -2.79 0.00 0.00 178.44 177.12 2qey h MET 540 N 0.80 0.58 -0.17 2.65 2.86 -1.24 -1.23 114.93 119.19 2qey h MET 540 Ca 0.20 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.85 2qey h MET 540 Cb 0.16 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 2qey h MET 540 CO -0.02 0.38 -0.13 0.35 1.06 0.00 0.00 176.91 178.55 2qey h PHE 541 N 0.60 -0.32 -0.64 -0.22 3.04 -0.70 -1.21 116.94 117.49 2qey h PHE 541 Ca 0.16 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.15 2qey h PHE 541 Cb -0.07 0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.58 2qey h PHE 541 CO -0.05 -0.19 0.42 0.78 -2.02 0.00 0.00 178.31 177.25 2qey h GLY 542 N -0.14 0.91 1.36 2.40 0.00 -1.07 -2.07 103.07 104.47 2qey h GLY 542 Ca 0.10 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 2qey h GLY 542 CO -0.25 0.30 0.07 3.21 0.00 0.00 0.00 176.54 179.87 2qey h ARG 543 N 0.84 0.79 -0.70 4.80 2.47 -0.90 -0.72 114.38 120.96 2qey h ARG 543 Ca 0.24 -0.18 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 2qey h ARG 543 Cb -0.05 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.12 2qey h ARG 543 CO -0.07 0.75 0.33 0.82 0.56 0.00 0.00 179.97 182.36 2qey h ILE 544 N 0.76 1.23 0.00 2.04 2.04 -0.90 -1.77 117.51 120.90 2qey h ILE 544 Ca 0.16 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.37 2qey h ILE 544 Cb 0.35 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2qey h ILE 544 CO 0.01 0.27 0.00 -0.62 0.00 0.00 0.00 178.15 177.81 2qey n GLU 545 N -4.33 0.14 -0.51 2.37 1.02 -0.74 -4.88 120.64 113.70 2qey n GLU 545 Ca 0.07 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2qey n GLU 545 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 2qey n GLU 545 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qey n GLY 546 N 0.31 0.70 3.77 0.62 0.00 -0.67 -5.05 105.19 104.88 2qey n GLY 546 Ca 0.07 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2qey n GLY 546 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qey s GLU 547 N -0.83 4.25 -1.49 1.61 2.56 -0.36 -4.90 118.70 119.55 2qey s GLU 547 Ca 0.00 2.37 -0.11 0.00 0.00 0.00 0.00 54.97 57.23 2qey s GLU 547 Cb 0.00 -3.02 0.02 0.00 2.00 0.00 0.00 34.13 33.12 2qey s GLU 547 CO 0.00 -0.34 2.48 -3.47 -0.56 0.00 0.00 175.26 173.38 2qey n ASP 548 N 0.64 6.35 -0.18 -1.70 2.03 -1.26 -4.52 116.55 117.92 2qey n ASP 548 Ca 0.00 -2.81 0.04 0.00 0.52 0.00 0.00 54.79 52.54 2qey n ASP 548 Cb 0.41 -1.57 0.07 0.00 -0.72 0.00 0.00 41.12 39.31 2qey n ASP 548 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2qey n SER 549 N 4.37 2.35 -4.53 1.67 3.41 -1.26 -5.02 113.62 114.61 2qey n SER 549 Ca 0.62 -2.28 -0.31 0.00 -0.26 0.00 0.00 58.87 56.64 2qey n SER 549 Cb 0.31 -0.16 -0.11 0.00 -0.26 0.00 0.00 64.21 63.99 2qey n SER 549 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qey s ALA 550 N -1.49 2.83 -0.10 7.33 0.00 -1.26 -0.64 121.76 128.42 2qey s ALA 550 Ca 0.13 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.93 2qey s ALA 550 Cb 0.10 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 2qey s ALA 550 CO 0.04 0.61 -0.18 0.21 0.00 0.00 0.00 175.76 176.44 2qey s LYS 551 N -1.75 3.10 0.03 0.00 2.20 0.11 -4.71 119.74 118.72 2qey s LYS 551 Ca 0.18 -0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 54.72 2qey s LYS 551 Cb -0.11 -2.45 -0.05 0.00 -1.51 0.00 0.00 37.83 33.71 2qey s LYS 551 CO 0.09 0.27 1.15 -1.17 -0.36 0.00 0.00 175.35 175.33 2qey s LEU 552 N 0.17 4.36 0.32 5.43 0.20 -1.26 -0.82 118.68 127.08 2qey s LEU 552 Ca -0.10 1.92 0.04 0.00 0.69 0.00 0.00 54.13 56.68 2qey s LEU 552 Cb -0.16 -3.57 -0.06 0.00 -0.43 0.00 0.00 46.19 41.97 2qey s LEU 552 CO 0.06 -0.44 0.04 0.42 -0.29 0.00 0.00 176.35 176.14 2qey s THR 553 N 1.18 1.25 0.60 3.68 -4.23 -0.11 -4.94 115.64 113.08 2qey s THR 553 Ca 0.57 -2.01 0.31 0.00 -1.18 0.00 0.00 61.69 59.38 2qey s THR 553 Cb -0.27 -2.76 0.37 0.00 1.34 0.00 0.00 72.50 71.18 2qey s THR 553 CO 0.28 -0.04 2.16 -0.65 -0.54 0.00 0.00 174.62 175.83 2qey h PRO 554 N 2.13 0.00 -0.01 3.99 0.11 -1.97 -2.32 132.00 133.94 2qey h PRO 554 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2qey h PRO 554 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qey h PRO 554 CO 0.70 0.00 -0.62 0.44 -0.21 0.00 0.00 178.00 178.31 2qey n ILE 555 N -3.66 0.00 0.00 4.15 -5.35 -1.26 -4.80 119.36 108.44 2qey n ILE 555 Ca -0.00 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 2qey n ILE 555 Cb 0.24 0.98 0.00 0.00 -1.74 0.00 0.00 39.64 39.12 2qey n ILE 555 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qey n GLY 556 N 1.44 0.82 3.74 3.28 0.00 -0.87 -4.81 105.19 108.80 2qey n GLY 556 Ca 0.08 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 2qey n GLY 556 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qey s TYR 557 N -1.57 3.90 0.26 1.61 1.51 -0.18 -0.93 117.35 121.95 2qey s TYR 557 Ca 0.00 1.85 0.10 0.00 -1.01 0.00 0.00 57.07 58.01 2qey s TYR 557 Cb 0.00 -3.01 -0.05 0.00 -0.11 0.00 0.00 41.96 38.79 2qey s TYR 557 CO 0.00 0.33 -0.16 0.14 -1.11 0.00 0.00 175.55 174.75 2qey s VAL 558 N -0.58 2.16 0.30 0.71 -7.23 0.00 0.32 120.40 116.08 2qey s VAL 558 Ca 0.44 -2.31 -0.29 0.00 -1.81 0.00 0.00 61.98 58.01 2qey s VAL 558 Cb -0.25 -2.26 -0.13 0.00 0.56 0.00 0.00 36.38 34.31 2qey s VAL 558 CO 0.31 -0.44 1.31 -2.65 -0.31 0.00 0.00 175.10 173.32 2qey n PRO 559 N -0.56 2.04 -0.63 4.82 -0.02 -1.26 0.05 135.00 139.43 2qey n PRO 559 Ca -0.06 0.72 -0.31 0.00 -2.02 0.00 0.00 63.50 61.83 2qey n PRO 559 Cb 0.61 -2.31 0.19 0.00 -0.02 0.00 0.00 33.50 31.96 2qey n PRO 559 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2qey n LYS 560 N 1.13 -1.11 -1.68 -0.52 5.02 0.19 -4.57 118.16 116.62 2qey n LYS 560 Ca 0.08 -0.27 -0.45 0.00 -2.02 0.00 0.00 58.31 55.64 2qey n LYS 560 Cb 0.34 -2.19 -0.04 0.00 -0.02 0.00 0.00 35.03 33.12 2qey n LYS 560 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2qey n GLU 561 N -3.91 2.40 -0.86 1.97 2.13 -1.26 -2.00 120.64 119.11 2qey n GLU 561 Ca 0.08 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.76 2qey n GLU 561 Cb 0.54 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.56 2qey n GLU 561 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2qey n ASP 562 N 4.28 -1.49 -0.07 4.31 8.00 -1.26 -4.87 116.55 125.45 2qey n ASP 562 Ca 0.18 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.54 2qey n ASP 562 Cb 0.32 -1.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.05 2qey n ASP 562 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qey h ALA 563 N 0.00 0.51 -2.25 2.24 0.00 -1.75 -3.43 119.26 114.58 2qey h ALA 563 Ca 0.00 -0.51 -0.56 0.00 0.00 0.00 0.00 54.91 53.84 2qey h ALA 563 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2qey h ALA 563 CO 0.00 0.68 0.67 -1.17 0.00 0.00 0.00 179.25 179.43 2qey s LEU 564 N -8.66 4.24 -0.42 0.00 2.96 -1.26 -4.95 118.68 110.58 2qey s LEU 564 Ca -0.10 1.64 -0.28 0.00 -0.22 0.00 0.00 54.13 55.17 2qey s LEU 564 Cb 0.10 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 2qey s LEU 564 CO 0.88 -0.55 1.68 0.21 -1.32 0.00 0.00 176.35 177.25 2qey s ASN 565 N 1.33 5.92 -0.06 3.68 3.84 -1.26 -4.85 114.94 123.54 2qey s ASN 565 Ca 0.51 0.93 0.12 0.00 0.21 0.00 0.00 52.86 54.64 2qey s ASN 565 Cb -0.21 -2.53 0.36 0.00 -0.55 0.00 0.00 41.25 38.32 2qey s ASN 565 CO 0.18 -1.75 1.30 0.18 -2.79 0.00 0.00 177.10 174.21 2qey n LEU 566 N 10.26 3.18 -4.69 3.21 4.77 -1.26 -4.86 117.00 127.60 2qey n LEU 566 Ca 0.20 -2.32 -0.42 0.00 -0.03 0.00 0.00 56.01 53.44 2qey n LEU 566 Cb 0.48 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2qey n LEU 566 CO 0.70 0.71 1.33 -0.54 -1.33 0.00 0.00 177.39 178.25 2qey s LYS 567 N -1.57 4.19 0.00 3.23 3.01 -1.26 -2.30 119.74 125.05 2qey s LYS 567 Ca 0.28 2.35 0.00 0.00 -1.01 0.00 0.00 55.97 57.59 2qey s LYS 567 Cb 0.18 -3.57 0.00 0.00 -1.01 0.00 0.00 37.83 33.44 2qey s LYS 567 CO 0.13 -0.73 0.00 0.41 0.51 0.00 0.00 175.35 175.67 2qey n GLY 568 N 3.99 0.68 0.65 -3.33 0.00 -1.26 -4.92 105.19 101.00 2qey n GLY 568 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 2qey n GLY 568 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qey n LEU 569 N 0.00 2.35 0.00 0.99 4.77 -0.97 -5.08 117.00 119.06 2qey n LEU 569 Ca 0.00 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 2qey n LEU 569 Cb 0.00 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qey n LEU 569 CO 0.00 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2qey n GLY 570 N 1.40 1.08 3.32 -0.72 0.00 -1.26 -4.44 105.19 104.57 2qey n GLY 570 Ca 0.11 -0.76 -0.46 0.00 0.00 0.00 0.00 46.02 44.90 2qey n GLY 570 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qey s ASP 571 N -4.00 6.68 0.09 1.61 3.68 -1.26 -4.97 116.67 118.50 2qey s ASP 571 Ca 0.00 -2.69 -0.30 0.00 2.13 0.00 0.00 52.55 51.69 2qey s ASP 571 Cb 0.00 -2.19 -0.05 0.00 -1.45 0.00 0.00 42.92 39.22 2qey s ASP 571 CO 0.00 -0.57 1.00 -0.69 0.13 0.00 0.00 175.17 175.04 2qey s VAL 572 N 0.17 4.49 -1.21 1.11 1.01 -1.26 -4.97 120.40 119.74 2qey s VAL 572 Ca 0.18 1.97 -0.20 0.00 0.00 0.00 0.00 61.98 63.93 2qey s VAL 572 Cb -0.11 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.03 2qey s VAL 572 CO -0.08 0.26 1.77 0.21 0.00 0.00 0.00 175.10 177.26 2qey s ASN 573 N 0.31 6.19 0.24 3.32 3.84 -1.26 -4.82 114.94 122.77 2qey s ASN 573 Ca 0.49 -2.01 -0.01 0.00 0.21 0.00 0.00 52.86 51.54 2qey s ASN 573 Cb -0.24 -2.58 0.26 0.00 -0.55 0.00 0.00 41.25 38.15 2qey s ASN 573 CO 0.30 -1.84 1.65 -0.37 -2.79 0.00 0.00 177.10 174.04 2qey h VAL 574 N 5.99 1.28 -0.48 -5.21 -1.51 -1.95 -1.82 116.25 112.54 2qey h VAL 574 Ca 0.33 -1.39 -0.06 0.00 -1.23 0.00 0.00 66.70 64.36 2qey h VAL 574 Cb 0.91 1.36 -0.02 0.00 -2.13 0.00 0.00 31.29 31.42 2qey h VAL 574 CO 1.38 0.45 0.06 -0.33 -1.23 0.00 0.00 177.57 177.89 2qey h GLU 575 N 0.53 0.76 0.13 5.19 5.08 -1.95 0.94 114.58 125.25 2qey h GLU 575 Ca 0.07 -0.17 -0.29 0.00 -1.00 0.00 0.00 59.36 57.97 2qey h GLU 575 Cb 0.77 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.93 2qey h GLU 575 CO 0.06 0.73 -1.24 1.49 -1.00 0.00 0.00 179.01 179.05 2qey h GLU 576 N 0.72 0.46 -0.48 2.33 4.81 -1.95 -1.71 114.58 118.77 2qey h GLU 576 Ca 0.15 -0.67 -0.09 0.00 -0.13 0.00 0.00 59.36 58.62 2qey h GLU 576 Cb 0.36 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 2qey h GLU 576 CO 0.01 1.29 -0.08 1.25 -0.73 0.00 0.00 179.01 180.75 2qey h LEU 577 N 0.18 0.84 -2.90 1.64 6.46 -1.01 -3.07 115.31 117.44 2qey h LEU 577 Ca -0.17 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.35 2qey h LEU 577 Cb 1.93 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 41.63 2qey h LEU 577 CO 0.22 0.95 0.00 0.49 -0.62 0.00 0.00 178.44 179.49 2qey n PHE 578 N -4.17 0.72 -1.94 1.25 3.72 0.30 -2.64 117.46 114.70 2qey n PHE 578 Ca 0.02 -0.53 -0.42 0.00 -0.05 0.00 0.00 57.45 56.47 2qey n PHE 578 Cb 0.36 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 2qey n PHE 578 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2qey s GLY 579 N -1.06 1.87 -0.20 1.37 0.00 -0.64 -4.84 107.32 103.83 2qey s GLY 579 Ca 0.34 1.38 0.01 0.00 0.00 0.00 0.00 44.72 46.45 2qey s GLY 579 CO 0.21 2.51 -0.17 -0.42 0.00 0.00 0.00 173.10 175.23 2qey s ILE 580 N 0.63 2.03 -0.18 0.90 1.01 -1.26 -4.53 121.20 119.79 2qey s ILE 580 Ca 0.66 -1.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 2qey s ILE 580 Cb -0.44 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2qey s ILE 580 CO 0.37 0.38 0.04 -0.55 0.00 0.00 0.00 174.94 175.17 2qey s SER 581 N 1.27 5.36 0.18 3.58 0.15 -1.26 -5.01 113.70 117.97 2qey s SER 581 Ca 0.01 -0.00 -0.13 0.00 0.70 0.00 0.00 55.95 56.53 2qey s SER 581 Cb -0.15 -1.91 0.14 0.00 -1.71 0.00 0.00 66.02 62.39 2qey s SER 581 CO -0.11 0.15 1.78 0.50 1.20 0.00 0.00 173.24 176.77 2qey h LYS 582 N 6.84 0.46 -0.48 5.44 3.64 -1.98 -1.63 116.57 128.86 2qey h LYS 582 Ca -0.35 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 58.91 2qey h LYS 582 Cb 1.17 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 2qey h LYS 582 CO 0.67 0.31 -0.05 1.05 -2.27 0.00 0.00 179.45 179.16 2qey h GLU 583 N 0.48 0.84 -0.28 1.90 9.09 -1.97 0.20 114.58 124.84 2qey h GLU 583 Ca 0.23 -0.25 -0.04 0.00 0.05 0.00 0.00 59.36 59.35 2qey h GLU 583 Cb 0.15 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 2qey h GLU 583 CO -0.17 0.87 0.03 0.35 0.05 0.00 0.00 179.01 180.14 2qey h PHE 584 N 0.77 0.51 0.00 2.06 3.57 -1.93 -2.90 116.94 119.01 2qey h PHE 584 Ca 0.14 -0.08 -0.15 0.00 3.53 0.00 0.00 57.97 61.42 2qey h PHE 584 Cb 0.53 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2qey h PHE 584 CO 0.03 0.59 -0.69 -1.49 -2.23 0.00 0.00 178.31 174.52 2qey h TRP 585 N 0.28 0.00 -0.50 0.41 4.06 -1.01 -0.01 115.95 119.19 2qey h TRP 585 Ca 0.08 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.06 2qey h TRP 585 Cb 0.36 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.49 2qey h TRP 585 CO 0.03 0.69 0.28 0.93 -3.56 0.00 0.00 178.44 176.81 2qey h GLU 586 N 0.00 0.54 -0.55 0.49 5.08 -0.64 -0.71 114.58 118.79 2qey h GLU 586 Ca -0.01 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 2qey h GLU 586 Cb 1.31 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2qey h GLU 586 CO 0.09 0.36 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.16 2qey h LYS 587 N 0.56 1.03 0.35 2.33 1.63 -1.27 -2.76 116.57 118.44 2qey h LYS 587 Ca 0.21 -0.36 -0.02 0.00 -0.85 0.00 0.00 60.65 59.63 2qey h LYS 587 Cb 0.06 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 2qey h LYS 587 CO -0.11 1.05 -0.18 1.49 -3.45 0.00 0.00 179.45 178.25 2qey h GLU 588 N 0.92 -0.47 -1.00 1.90 4.57 -0.67 -1.66 114.58 118.16 2qey h GLU 588 Ca 0.15 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.40 2qey h GLU 588 Cb 0.65 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.28 2qey h GLU 588 CO 0.04 -0.32 0.66 -0.39 -1.18 0.00 0.00 179.01 177.83 2qey h VAL 589 N -0.49 1.16 -0.41 0.32 -1.51 -1.17 -0.73 116.25 113.42 2qey h VAL 589 Ca -0.04 -0.43 -0.01 0.00 -1.23 0.00 0.00 66.70 64.98 2qey h VAL 589 Cb 0.39 -0.21 -0.02 0.00 -2.13 0.00 0.00 31.29 29.32 2qey h VAL 589 CO 0.07 0.23 0.22 -0.08 -1.23 0.00 0.00 177.57 176.78 2qey h GLU 590 N 1.26 0.57 -0.30 5.19 4.57 -1.32 0.12 114.58 124.67 2qey h GLU 590 Ca 0.40 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.39 2qey h GLU 590 Cb 0.02 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2qey h GLU 590 CO -0.13 0.47 -0.31 1.49 -1.18 0.00 0.00 179.01 179.35 2qey h GLU 591 N 0.53 0.64 -0.49 1.92 4.22 -0.90 -1.33 114.58 119.16 2qey h GLU 591 Ca 0.14 -0.28 -0.11 0.00 0.08 0.00 0.00 59.36 59.19 2qey h GLU 591 Cb 0.06 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2qey h GLU 591 CO -0.02 0.87 -0.13 0.82 -2.18 0.00 0.00 179.01 178.36 2qey h ILE 592 N 0.54 1.27 0.49 2.32 2.04 -0.96 -2.02 117.51 121.20 2qey h ILE 592 Ca 0.06 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 2qey h ILE 592 Cb 0.80 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2qey h ILE 592 CO 0.07 0.44 -0.40 -0.78 0.00 0.00 0.00 178.15 177.48 2qey h ASP 593 N 0.82 -1.05 -1.00 1.72 1.82 -0.46 -1.16 116.42 117.12 2qey h ASP 593 Ca 0.12 0.08 0.09 0.00 -0.39 0.00 0.00 57.03 56.93 2qey h ASP 593 Cb 0.70 0.33 -0.08 0.00 0.68 0.00 0.00 39.33 40.97 2qey h ASP 593 CO 0.05 -0.57 0.64 0.11 -1.61 0.00 0.00 179.24 177.86 2qey h LYS 594 N -0.88 1.06 0.16 0.28 1.57 -1.27 -0.80 116.57 116.70 2qey h LYS 594 Ca -0.05 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2qey h LYS 594 Cb 0.75 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2qey h LYS 594 CO -0.01 0.70 -0.08 -0.92 -0.57 0.00 0.00 179.45 178.57 2qey h TYR 595 N 1.09 -0.20 -0.46 -1.35 3.20 -1.16 -2.49 116.97 115.60 2qey h TYR 595 Ca 0.46 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.25 2qey h TYR 595 Cb 0.32 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2qey h TYR 595 CO -0.00 0.09 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.49 2qey h LEU 596 N -0.50 0.76 -0.17 2.82 3.38 -1.02 0.68 115.31 121.27 2qey h LEU 596 Ca -0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2qey h LEU 596 Cb 0.38 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2qey h LEU 596 CO 0.04 0.86 0.10 -0.08 0.09 0.00 0.00 178.44 179.44 2qey h GLU 597 N 0.72 0.23 0.30 1.13 4.81 -1.17 -1.28 114.58 119.33 2qey h GLU 597 Ca 0.13 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2qey h GLU 597 Cb 0.51 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2qey h GLU 597 CO 0.03 0.21 -0.15 0.22 -0.73 0.00 0.00 179.01 178.59 2qey h ASP 598 N 0.18 -0.34 0.61 1.04 -0.00 -1.35 -2.56 116.42 114.00 2qey h ASP 598 Ca 0.06 -0.12 -0.17 0.00 -0.00 0.00 0.00 57.03 56.80 2qey h ASP 598 Cb 0.04 0.09 -0.02 0.00 -0.00 0.00 0.00 39.33 39.45 2qey h ASP 598 CO -0.01 0.13 -0.77 1.56 -0.00 0.00 0.00 179.24 180.15 2qey h GLN 599 N -1.03 0.12 0.00 0.28 1.08 -0.94 -0.71 115.11 113.92 2qey h GLN 599 Ca -0.04 -0.12 -0.32 0.00 -1.45 0.00 0.00 58.65 56.72 2qey h GLN 599 Cb 0.45 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.85 2qey h GLN 599 CO 0.07 0.83 -2.22 0.28 -0.95 0.00 0.00 178.83 176.84 2qey n VAL 600 N -3.70 1.22 0.00 -0.54 0.31 -0.54 -4.57 118.33 110.52 2qey n VAL 600 Ca -0.02 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2qey n VAL 600 Cb 0.74 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 2qey n VAL 600 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2qey n ASN 601 N -2.87 0.00 0.08 4.52 5.15 -0.84 -1.47 115.26 119.83 2qey n ASN 601 Ca -0.33 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 53.75 2qey n ASN 601 Cb 1.00 0.00 0.44 0.00 -0.53 0.00 0.00 39.78 40.68 2qey n ASN 601 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qey n ALA 602 N 11.06 1.75 0.08 5.20 0.00 -1.26 -2.73 120.51 134.61 2qey n ALA 602 Ca 0.00 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.58 2qey n ALA 602 Cb 0.00 -1.35 0.25 0.00 0.00 0.00 0.00 19.45 18.35 2qey n ALA 602 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qey n ASP 603 N -1.98 3.66 -4.64 0.00 8.00 -0.54 -4.92 116.55 116.13 2qey n ASP 603 Ca 0.03 -2.00 -0.43 0.00 0.71 0.00 0.00 54.79 53.10 2qey n ASP 603 Cb 0.23 -0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 2qey n ASP 603 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qey s LEU 604 N -1.33 3.97 0.49 0.64 2.96 -1.11 -4.39 118.68 119.91 2qey s LEU 604 Ca 0.42 1.60 -0.23 0.00 -0.22 0.00 0.00 54.13 55.71 2qey s LEU 604 Cb 0.24 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 43.33 2qey s LEU 604 CO 0.33 -1.13 1.28 -2.84 -1.32 0.00 0.00 176.35 172.67 2qey s PRO 605 N 4.36 3.48 0.30 0.98 0.02 -1.26 -4.86 135.00 138.02 2qey s PRO 605 Ca 0.66 2.06 0.06 0.00 0.02 0.00 0.00 61.00 63.81 2qey s PRO 605 Cb -0.24 -2.38 0.80 0.00 0.02 0.00 0.00 34.50 32.71 2qey s PRO 605 CO 0.26 -0.86 1.70 -0.92 -0.33 0.00 0.00 177.00 176.85 2qey h TYR 606 N 1.84 0.78 -0.05 6.54 3.20 -1.99 -1.76 116.97 125.53 2qey h TYR 606 Ca -0.50 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.28 2qey h TYR 606 Cb 1.27 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 2qey h TYR 606 CO 0.50 -0.03 -0.54 0.93 -1.64 0.00 0.00 178.16 177.37 2qey h GLU 607 N 0.44 0.15 -0.21 1.82 5.08 -1.98 -0.14 114.58 119.74 2qey h GLU 607 Ca 0.60 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.80 2qey h GLU 607 Cb 1.16 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2qey h GLU 607 CO -0.52 0.65 -0.14 0.82 -1.00 0.00 0.00 179.01 178.82 2qey h ILE 608 N 0.11 1.32 -0.73 3.13 1.08 -1.67 -1.06 117.51 119.70 2qey h ILE 608 Ca -0.00 -1.25 0.06 0.00 -0.39 0.00 0.00 64.86 63.28 2qey h ILE 608 Cb 1.00 1.68 -0.06 0.00 -3.07 0.00 0.00 36.82 36.37 2qey h ILE 608 CO 0.08 0.38 0.42 -0.08 -0.69 0.00 0.00 178.15 178.26 2qey h GLU 609 N 0.15 0.75 -0.70 2.37 4.57 -1.29 -1.38 114.58 119.04 2qey h GLU 609 Ca 0.04 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2qey h GLU 609 Cb 0.66 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 2qey h GLU 609 CO 0.04 0.50 0.34 -0.09 -1.18 0.00 0.00 179.01 178.61 2qey h ARG 610 N 0.77 1.01 -0.30 1.92 2.43 -0.89 -1.41 114.38 117.91 2qey h ARG 610 Ca 0.32 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 59.25 2qey h ARG 610 Cb 0.19 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2qey h ARG 610 CO -0.18 0.80 -0.23 0.93 -1.51 0.00 0.00 179.97 179.78 2qey h GLU 611 N 0.98 0.57 -0.17 0.20 4.39 -0.71 0.25 114.58 120.09 2qey h GLU 611 Ca 0.24 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2qey h GLU 611 Cb 0.12 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2qey h GLU 611 CO -0.03 0.75 0.06 1.25 -1.16 0.00 0.00 179.01 179.88 2qey h LEU 612 N 0.50 0.24 -0.36 1.33 5.85 -1.02 -0.64 115.31 121.22 2qey h LEU 612 Ca 0.08 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.66 2qey h LEU 612 Cb 0.66 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 2qey h LEU 612 CO 0.05 0.36 0.06 0.03 -0.34 0.00 0.00 178.44 178.60 2qey h ARG 613 N 0.10 0.18 -0.28 1.25 3.08 -1.06 -1.16 114.38 116.48 2qey h ARG 613 Ca 0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2qey h ARG 613 Cb 0.20 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2qey h ARG 613 CO -0.00 0.12 0.19 0.00 -1.07 0.00 0.00 179.97 179.20 2qey h ALA 614 N 1.27 0.36 -0.50 0.04 0.00 -0.81 -0.95 119.26 118.68 2qey h ALA 614 Ca 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2qey h ALA 614 Cb 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2qey h ALA 614 CO -0.23 -0.17 0.15 1.25 0.00 0.00 0.00 179.25 180.25 2qey h LEU 615 N 0.39 0.73 -0.72 0.00 5.85 -1.02 -1.62 115.31 118.93 2qey h LEU 615 Ca 0.10 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.68 2qey h LEU 615 Cb -0.04 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.73 2qey h LEU 615 CO -0.02 0.75 0.40 0.50 -0.34 0.00 0.00 178.44 179.72 2qey h LYS 616 N 0.67 0.69 -0.36 1.25 3.64 -0.98 -1.66 116.57 119.82 2qey h LYS 616 Ca 0.16 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 2qey h LYS 616 Cb 0.29 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2qey h LYS 616 CO -0.00 0.45 -0.08 0.37 -2.27 0.00 0.00 179.45 177.92 2qey h GLN 617 N 0.71 0.68 -0.89 1.90 5.75 -0.90 -2.03 115.11 120.33 2qey h GLN 617 Ca 0.33 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 2qey h GLN 617 Cb 0.25 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.72 2qey h GLN 617 CO -0.21 0.84 0.51 0.00 -2.65 0.00 0.00 178.83 177.31 2qey h ARG 618 N 0.48 1.23 -0.63 1.69 3.08 -1.00 -2.70 114.38 116.52 2qey h ARG 618 Ca 0.09 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 2qey h ARG 618 Cb 0.58 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2qey h ARG 618 CO 0.03 0.89 0.03 0.82 -1.07 0.00 0.00 179.97 180.68 2qey h ILE 619 N 1.24 1.27 -0.02 2.04 2.04 -1.23 -2.81 117.51 120.03 2qey h ILE 619 Ca 0.32 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 65.06 2qey h ILE 619 Cb 0.00 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2qey h ILE 619 CO -0.05 0.41 0.01 0.77 0.00 0.00 0.00 178.15 179.29 2qey h SER 620 N 1.00 0.00 -0.03 1.72 4.64 -1.05 -1.91 113.55 117.92 2qey h SER 620 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2qey h SER 620 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2qey h SER 620 CO 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 2qey n GLN 621 N -4.37 1.42 0.00 4.77 1.13 -1.06 -5.11 117.38 114.15 2qey n GLN 621 Ca -0.03 -0.61 0.09 0.00 -1.94 0.00 0.00 57.00 54.52 2qey n GLN 621 Cb 0.11 -1.46 0.55 0.00 0.11 0.00 0.00 30.24 29.55 2qey n GLN 621 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29