#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2byt n GLU 2 N 0.00 -3.57 -4.08 2.12 0.28 -1.26 -5.08 120.64 109.05 2byt n GLU 2 Ca 0.00 -0.85 -0.09 0.00 -0.16 0.00 0.00 57.16 56.06 2byt n GLU 2 Cb 0.00 -1.08 -0.09 0.00 1.43 0.00 0.00 31.44 31.70 2byt n GLU 2 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2byt s LYS 3 N -4.21 0.84 -0.24 3.44 2.20 -1.26 -5.01 119.74 115.50 2byt s LYS 3 Ca 0.39 -1.29 -0.29 0.00 -0.36 0.00 0.00 55.97 54.42 2byt s LYS 3 Cb -0.07 0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 36.48 2byt s LYS 3 CO 0.32 -0.23 1.82 -0.47 -0.36 0.00 0.00 175.35 176.43 2byt s TYR 4 N -3.98 1.76 -0.30 4.03 5.04 -1.26 -4.96 117.35 117.69 2byt s TYR 4 Ca 0.16 0.49 0.02 0.00 -2.44 0.00 0.00 57.07 55.30 2byt s TYR 4 Cb 0.07 -4.05 0.08 0.00 0.35 0.00 0.00 41.96 38.41 2byt s TYR 4 CO -0.03 -3.36 0.00 1.21 -1.34 0.00 0.00 175.55 172.03 2byt s ASN 5 N 5.64 4.39 0.04 4.32 3.84 -1.26 -5.03 114.94 126.88 2byt s ASN 5 Ca 0.81 -1.71 -0.22 0.00 0.21 0.00 0.00 52.86 51.95 2byt s ASN 5 Cb -0.27 -1.40 -0.11 0.00 -0.55 0.00 0.00 41.25 38.92 2byt s ASN 5 CO 0.33 -0.32 1.34 -0.65 -2.79 0.00 0.00 177.10 175.01 2byt h PRO 6 N 7.79 -0.68 -0.09 0.43 0.11 -1.93 -2.84 132.00 134.79 2byt h PRO 6 Ca -0.11 0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.07 2byt h PRO 6 Cb 1.03 0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2byt h PRO 6 CO 0.48 -0.45 0.62 0.45 -0.21 0.00 0.00 178.00 178.88 2byt h HIS 7 N -0.70 0.00 -0.07 0.65 3.86 -1.94 0.30 115.15 117.25 2byt h HIS 7 Ca -0.06 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.94 2byt h HIS 7 Cb 0.57 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.06 2byt h HIS 7 CO -0.05 0.00 -0.77 0.00 0.86 0.00 0.00 177.93 177.97 2byt h ALA 8 N 0.85 0.19 0.00 2.45 0.00 -1.94 -3.41 119.26 117.40 2byt h ALA 8 Ca 0.04 -0.60 -0.17 0.00 0.00 0.00 0.00 54.91 54.18 2byt h ALA 8 Cb 1.28 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2byt h ALA 8 CO -0.00 0.56 -1.64 0.44 0.00 0.00 0.00 179.25 178.61 2byt n ILE 9 N -4.02 0.64 0.00 0.00 -5.35 0.92 -4.73 119.36 106.82 2byt n ILE 9 Ca -0.09 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 2byt n ILE 9 Cb 0.74 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 2byt n ILE 9 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2byt n GLU 10 N -2.40 0.00 0.16 6.28 1.02 -0.35 -2.14 120.64 123.20 2byt n GLU 10 Ca -0.16 0.30 0.13 0.00 -0.02 0.00 0.00 57.16 57.41 2byt n GLU 10 Cb 0.79 -1.09 0.38 0.00 -0.02 0.00 0.00 31.44 31.51 2byt n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2byt h ALA 11 N -1.93 2.14 0.42 0.62 0.00 -1.83 0.16 119.26 118.83 2byt h ALA 11 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2byt h ALA 11 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2byt h ALA 11 CO 0.00 -1.02 -0.20 -0.22 0.00 0.00 0.00 179.25 177.81 2byt h LYS 12 N 0.00 -0.54 -0.78 0.00 3.64 -1.72 -3.09 116.57 114.08 2byt h LYS 12 Ca 0.16 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2byt h LYS 12 Cb 1.85 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.76 2byt h LYS 12 CO -0.00 -0.23 0.33 -1.49 -2.27 0.00 0.00 179.45 175.78 2byt h TRP 13 N -0.96 1.16 -0.53 1.91 -0.00 -0.20 -2.52 115.95 114.81 2byt h TRP 13 Ca -0.06 -0.08 0.10 0.00 -0.00 0.00 0.00 58.89 58.86 2byt h TRP 13 Cb 0.56 -0.35 -0.09 0.00 -0.00 0.00 0.00 29.16 29.28 2byt h TRP 13 CO 0.02 0.87 0.01 1.96 -0.00 0.00 0.00 178.44 181.30 2byt h GLN 14 N 1.13 0.13 0.00 0.49 4.20 -1.48 0.42 115.11 119.98 2byt h GLN 14 Ca 0.26 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 2byt h GLN 14 Cb 0.19 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2byt h GLN 14 CO -0.02 0.08 -0.22 0.00 -0.67 0.00 0.00 178.83 178.00 2byt h ARG 15 N 0.13 0.00 -0.34 1.46 3.08 -1.38 -1.92 114.38 115.41 2byt h ARG 15 Ca 0.27 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.25 2byt h ARG 15 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2byt h ARG 15 CO -0.44 0.22 -0.08 0.35 -1.07 0.00 0.00 179.97 178.95 2byt h PHE 16 N 0.00 0.73 -0.35 3.04 3.57 0.12 -1.27 116.94 122.78 2byt h PHE 16 Ca -0.00 -0.16 -0.11 0.00 3.53 0.00 0.00 57.97 61.23 2byt h PHE 16 Cb 0.38 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2byt h PHE 16 CO 0.00 0.81 -0.23 -1.49 -2.23 0.00 0.00 178.31 175.18 2byt h TRP 17 N 0.43 0.90 -0.85 0.41 6.55 -0.57 -2.26 115.95 120.56 2byt h TRP 17 Ca 0.09 -0.24 -0.02 0.00 0.95 0.00 0.00 58.89 59.66 2byt h TRP 17 Cb 0.58 -0.20 -0.04 0.00 -0.86 0.00 0.00 29.16 28.64 2byt h TRP 17 CO 0.05 0.99 0.44 1.49 -1.05 0.00 0.00 178.44 180.36 2byt h GLU 18 N 0.55 1.20 0.42 0.49 4.57 -1.32 -1.00 114.58 119.48 2byt h GLU 18 Ca 0.07 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2byt h GLU 18 Cb 0.78 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2byt h GLU 18 CO 0.06 0.90 -0.20 0.93 -1.18 0.00 0.00 179.01 179.52 2byt h GLU 19 N 1.19 -0.54 0.00 1.92 5.08 -1.13 -3.09 114.58 118.02 2byt h GLU 19 Ca 0.30 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2byt h GLU 19 Cb 0.07 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2byt h GLU 19 CO -0.04 -0.23 0.00 1.63 -1.00 0.00 0.00 179.01 179.36 2byt n LYS 20 N -5.22 0.17 -3.38 2.33 4.76 -0.86 -4.93 118.16 111.02 2byt n LYS 20 Ca -0.10 0.50 -0.12 0.00 -2.87 0.00 0.00 58.31 55.72 2byt n LYS 20 Cb 0.29 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 2byt n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2byt n GLY 21 N -0.49 -1.23 0.09 0.72 0.00 -0.39 -4.93 105.19 98.96 2byt n GLY 21 Ca 0.01 0.58 -0.11 0.00 0.00 0.00 0.00 46.02 46.50 2byt n GLY 21 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2byt h PHE 22 N 0.25 0.15 -0.35 1.61 0.04 -1.88 -3.30 116.94 113.46 2byt h PHE 22 Ca -0.29 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.37 2byt h PHE 22 Cb 1.19 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.33 2byt h PHE 22 CO 0.20 1.14 0.00 -1.33 -0.60 0.00 0.00 178.31 177.72 2byt n MET 23 N -3.28 3.05 -1.92 1.51 2.81 -1.26 -4.89 117.12 113.14 2byt n MET 23 Ca -0.12 -1.78 -0.42 0.00 -1.81 0.00 0.00 57.70 53.57 2byt n MET 23 Cb 1.01 -1.85 -0.03 0.00 -0.71 0.00 0.00 33.22 31.65 2byt n MET 23 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2byt s LYS 24 N -1.92 4.19 -0.29 0.03 2.47 -1.24 -3.97 119.74 119.00 2byt s LYS 24 Ca 0.31 2.33 -0.28 0.00 -1.56 0.00 0.00 55.97 56.77 2byt s LYS 24 Cb 0.23 -3.68 0.01 0.00 -1.46 0.00 0.00 37.83 32.93 2byt s LYS 24 CO 0.11 -0.76 1.03 0.00 0.16 0.00 0.00 175.35 175.89 2byt s ALA 25 N 2.92 3.56 0.37 3.13 0.00 -1.26 -4.94 121.76 125.55 2byt s ALA 25 Ca 0.75 -0.02 -0.27 0.00 0.00 0.00 0.00 51.96 52.41 2byt s ALA 25 Cb -0.39 -3.60 -0.11 0.00 0.00 0.00 0.00 23.12 19.02 2byt s ALA 25 CO 0.33 -1.32 1.38 1.17 0.00 0.00 0.00 175.76 177.32 2byt n LYS 26 N 6.63 2.34 0.13 0.00 4.81 -1.26 -4.92 118.16 125.89 2byt n LYS 26 Ca 0.11 0.82 -0.13 0.00 -0.87 0.00 0.00 58.31 58.24 2byt n LYS 26 Cb 0.47 -2.50 -0.06 0.00 0.02 0.00 0.00 35.03 32.95 2byt n LYS 26 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2byt h ASP 27 N 2.64 -0.45 -3.43 3.14 3.32 -1.95 -3.39 116.42 116.30 2byt h ASP 27 Ca -0.49 0.04 -0.60 0.00 0.02 0.00 0.00 57.03 56.00 2byt h ASP 27 Cb 1.27 0.15 -0.39 0.00 0.22 0.00 0.00 39.33 40.58 2byt h ASP 27 CO 0.63 -0.26 -0.76 -0.76 -1.72 0.00 0.00 179.24 176.37 2byt s LEU 28 N -10.22 2.83 0.07 1.55 1.43 -1.26 -4.94 118.68 108.14 2byt s LEU 28 Ca -0.15 -1.55 -0.37 0.00 -1.03 0.00 0.00 54.13 51.02 2byt s LEU 28 Cb 0.07 -1.11 -0.18 0.00 0.03 0.00 0.00 46.19 45.00 2byt s LEU 28 CO 0.65 -0.34 1.23 -2.65 0.23 0.00 0.00 176.35 175.47 2byt n PRO 29 N 4.67 0.78 0.00 1.29 -0.02 -1.26 -4.99 135.00 135.48 2byt n PRO 29 Ca -0.04 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 2byt n PRO 29 Cb 0.43 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2byt n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2byt n GLY 30 N 2.17 -0.88 0.67 -1.23 0.00 -1.26 -4.96 105.19 99.69 2byt n GLY 30 Ca 0.19 -1.16 0.07 0.00 0.00 0.00 0.00 46.02 45.12 2byt n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2byt n GLY 31 N 3.03 1.24 0.00 -0.02 0.00 -1.26 -4.33 105.19 103.84 2byt n GLY 31 Ca 0.00 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.72 2byt n GLY 31 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2byt n ARG 32 N 0.77 0.25 0.00 1.61 3.00 -1.26 -5.00 116.66 116.03 2byt n ARG 32 Ca 0.11 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 2byt n ARG 32 Cb 0.40 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.36 2byt n ARG 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2byt n GLY 33 N 1.07 1.18 3.33 5.14 0.00 -1.26 -4.58 105.19 110.08 2byt n GLY 33 Ca 0.11 -1.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.00 2byt n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2byt s LYS 34 N -1.99 0.74 0.11 1.61 0.00 -1.26 -1.92 119.74 117.04 2byt s LYS 34 Ca 0.00 0.09 0.10 0.00 0.00 0.00 0.00 55.97 56.17 2byt s LYS 34 Cb 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 37.83 38.13 2byt s LYS 34 CO 0.00 -0.19 -0.26 -0.65 0.00 0.00 0.00 175.35 174.24 2byt s GLN 35 N -0.96 1.42 -0.44 1.78 -1.52 -0.71 -4.87 119.66 114.36 2byt s GLN 35 Ca -0.10 -1.29 0.02 0.00 -1.95 0.00 0.00 55.36 52.04 2byt s GLN 35 Cb -0.04 -1.85 0.14 0.00 -0.22 0.00 0.00 33.01 31.04 2byt s GLN 35 CO 0.05 0.44 0.26 -0.47 -0.25 0.00 0.00 175.29 175.32 2byt s TYR 36 N -1.03 1.82 -0.07 0.91 6.14 -1.26 -2.48 117.35 121.37 2byt s TYR 36 Ca 0.13 -2.35 -0.23 0.00 0.64 0.00 0.00 57.07 55.25 2byt s TYR 36 Cb -0.10 -1.72 -0.04 0.00 0.42 0.00 0.00 41.96 40.53 2byt s TYR 36 CO 0.05 -0.78 0.70 0.08 0.64 0.00 0.00 175.55 176.24 2byt s VAL 37 N 0.33 5.04 -0.04 3.14 1.01 -1.13 -1.98 120.40 126.77 2byt s VAL 37 Ca 0.19 1.44 -0.01 0.00 0.00 0.00 0.00 61.98 63.61 2byt s VAL 37 Cb -0.21 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.17 2byt s VAL 37 CO -0.02 0.25 0.07 -0.22 0.00 0.00 0.00 175.10 175.18 2byt s LEU 38 N 0.84 0.86 -0.13 3.92 2.96 -0.18 -4.29 118.68 122.66 2byt s LEU 38 Ca 0.37 0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 54.38 2byt s LEU 38 Cb -0.18 0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.56 2byt s LEU 38 CO 0.18 -0.15 0.02 0.68 -1.32 0.00 0.00 176.35 175.77 2byt s VAL 39 N 1.21 4.48 -0.10 1.68 -7.23 -1.26 -1.03 120.40 118.15 2byt s VAL 39 Ca -0.08 -0.16 -0.38 0.00 -1.81 0.00 0.00 61.98 59.55 2byt s VAL 39 Cb -0.12 -2.95 -0.16 0.00 0.56 0.00 0.00 36.38 33.70 2byt s VAL 39 CO -0.04 0.54 1.57 0.23 -0.31 0.00 0.00 175.10 177.09 2byt n MET 40 N 2.86 1.21 -1.93 4.82 0.00 -1.07 -4.86 117.12 118.15 2byt n MET 40 Ca -0.18 0.44 -0.39 0.00 0.00 0.00 0.00 57.70 57.57 2byt n MET 40 Cb 0.53 -2.11 0.01 0.00 0.00 0.00 0.00 33.22 31.65 2byt n MET 40 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 2byt s PHE 41 N 2.18 2.61 0.45 2.03 -0.12 -1.26 -4.98 117.98 118.88 2byt s PHE 41 Ca 0.92 1.35 -0.19 0.00 -0.05 0.00 0.00 56.93 58.96 2byt s PHE 41 Cb -1.00 -3.78 -0.10 0.00 -0.63 0.00 0.00 43.02 37.52 2byt s PHE 41 CO 0.56 -2.51 0.94 -1.25 -0.05 0.00 0.00 175.22 172.92 2byt s PRO 42 N -2.43 4.11 -0.52 1.99 0.04 -1.26 -4.69 135.00 132.24 2byt s PRO 42 Ca 0.61 1.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.41 2byt s PRO 42 Cb -0.40 -2.19 0.03 0.00 0.04 0.00 0.00 34.50 31.98 2byt s PRO 42 CO 0.51 -0.10 0.99 0.71 0.04 0.00 0.00 177.00 179.16 2byt s TYR 43 N -2.32 2.81 -0.39 0.56 2.02 -1.26 -1.66 117.35 117.10 2byt s TYR 43 Ca 0.60 0.27 -0.27 0.00 -0.37 0.00 0.00 57.07 57.30 2byt s TYR 43 Cb -0.09 -4.14 -0.06 0.00 -0.40 0.00 0.00 41.96 37.26 2byt s TYR 43 CO 0.20 -1.29 2.35 -0.35 -1.57 0.00 0.00 175.55 174.89 2byt n PRO 44 N 7.55 1.37 -2.72 -1.71 -0.04 -1.26 -4.75 135.00 133.44 2byt n PRO 44 Ca 0.05 0.19 -0.04 0.00 -0.04 0.00 0.00 63.50 63.66 2byt n PRO 44 Cb 0.48 -3.36 0.02 0.00 -0.04 0.00 0.00 33.50 30.61 2byt n PRO 44 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2byt n SER 45 N 14.38 -2.55 0.00 3.54 3.41 -1.26 -4.51 113.62 126.63 2byt n SER 45 Ca 0.35 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 2byt n SER 45 Cb 0.51 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.76 2byt n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2byt n GLY 46 N 2.71 0.67 3.51 5.00 0.00 -1.26 -5.06 105.19 110.75 2byt n GLY 46 Ca 0.15 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 2byt n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2byt s ASP 47 N -1.80 4.30 0.64 1.61 3.68 -1.26 -4.86 116.67 118.97 2byt s ASP 47 Ca 0.00 -0.14 -0.17 0.00 2.13 0.00 0.00 52.55 54.37 2byt s ASP 47 Cb 0.00 -1.10 -0.01 0.00 -1.45 0.00 0.00 42.92 40.36 2byt s ASP 47 CO 0.00 0.32 1.19 -0.76 0.13 0.00 0.00 175.17 176.05 2byt s LEU 48 N -0.59 3.54 0.28 -1.34 1.43 -1.26 -5.01 118.68 115.73 2byt s LEU 48 Ca 0.09 2.32 -0.05 0.00 -1.03 0.00 0.00 54.13 55.45 2byt s LEU 48 Cb -0.11 -4.59 -0.01 0.00 0.03 0.00 0.00 46.19 41.51 2byt s LEU 48 CO 0.02 -1.76 0.40 -1.38 0.23 0.00 0.00 176.35 173.86 2byt s HIS 49 N -1.80 0.86 0.41 0.29 -3.43 -1.26 -3.27 115.29 107.09 2byt s HIS 49 Ca 0.75 -1.13 0.22 0.00 -0.80 0.00 0.00 55.06 54.10 2byt s HIS 49 Cb -0.28 -0.10 1.20 0.00 -1.43 0.00 0.00 32.58 31.97 2byt s HIS 49 CO 0.37 -0.98 1.73 0.52 -2.00 0.00 0.00 174.74 174.38 2byt h MET 50 N 2.26 0.29 -0.79 -0.38 2.86 -1.79 0.25 114.93 117.63 2byt h MET 50 Ca -0.29 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.44 2byt h MET 50 Cb 1.25 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.79 2byt h MET 50 CO 0.40 0.19 0.51 0.78 1.06 0.00 0.00 176.91 179.86 2byt h GLY 51 N 0.30 1.01 0.56 8.32 0.00 -1.87 -2.95 103.07 108.43 2byt h GLY 51 Ca 0.66 -0.29 -0.26 0.00 0.00 0.00 0.00 47.33 47.44 2byt h GLY 51 CO -0.34 0.16 -1.32 0.45 0.00 0.00 0.00 176.54 175.49 2byt h HIS 52 N 0.69 0.45 0.00 5.60 -0.00 -0.87 -3.37 115.15 117.65 2byt h HIS 52 Ca 0.37 -0.33 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2byt h HIS 52 Cb 0.50 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 2byt h HIS 52 CO -0.00 1.52 0.18 -0.07 -0.00 0.00 0.00 177.93 179.56 2byt h LEU 53 N -0.33 0.00 -0.20 2.43 -0.00 -1.23 -3.13 115.31 112.85 2byt h LEU 53 Ca -0.28 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.63 2byt h LEU 53 Cb 1.73 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 42.34 2byt h LEU 53 CO 0.07 0.00 -0.41 0.50 -0.00 0.00 0.00 178.44 178.60 2byt h LYS 54 N 0.00 -0.36 0.00 1.13 3.64 -1.70 -0.49 116.57 118.80 2byt h LYS 54 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2byt h LYS 54 Cb 0.37 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2byt h LYS 54 CO 0.00 -0.24 0.00 0.09 -2.27 0.00 0.00 179.45 177.03 2byt n ASN 55 N -4.69 0.00 -0.57 4.20 5.03 -1.18 -2.20 115.26 115.85 2byt n ASN 55 Ca -0.04 0.64 0.45 0.00 0.87 0.00 0.00 54.58 56.51 2byt n ASN 55 Cb 0.27 -0.14 0.73 0.00 -1.02 0.00 0.00 39.78 39.62 2byt n ASN 55 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2byt n TYR 56 N -1.22 0.34 0.41 3.10 4.02 -1.20 0.54 117.16 123.14 2byt n TYR 56 Ca 0.00 0.34 -0.18 0.00 -0.01 0.00 0.00 57.90 58.05 2byt n TYR 56 Cb 0.00 -0.80 -0.09 0.00 -0.02 0.00 0.00 39.34 38.43 2byt n TYR 56 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 2byt h THR 57 N 0.00 0.19 0.00 -0.72 2.02 -0.59 -1.55 112.91 112.26 2byt h THR 57 Ca 0.88 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.96 2byt h THR 57 Cb 3.20 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 2byt h THR 57 CO -0.23 0.01 0.00 0.23 0.37 0.00 0.00 175.52 175.90 2byt n MET 58 N -5.51 0.00 -0.28 6.66 2.81 0.19 0.58 117.12 121.57 2byt n MET 58 Ca -0.14 0.90 0.21 0.00 -1.81 0.00 0.00 57.70 56.86 2byt n MET 58 Cb 0.42 -1.48 0.39 0.00 -0.71 0.00 0.00 33.22 31.84 2byt n MET 58 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2byt n GLY 59 N -1.00 -0.87 0.14 3.03 0.00 -0.89 -0.16 105.19 105.45 2byt n GLY 59 Ca 0.00 0.75 -0.13 0.00 0.00 0.00 0.00 46.02 46.64 2byt n GLY 59 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2byt h ASP 60 N 0.00 -0.22 -0.27 1.61 1.82 0.12 0.33 116.42 119.81 2byt h ASP 60 Ca 0.63 -0.22 0.04 0.00 -0.39 0.00 0.00 57.03 57.09 2byt h ASP 60 Cb 1.53 0.06 -0.07 0.00 0.68 0.00 0.00 39.33 41.53 2byt h ASP 60 CO -0.72 0.11 -0.49 0.58 -1.61 0.00 0.00 179.24 177.11 2byt h VAL 61 N -0.57 0.00 -0.76 2.25 2.07 0.30 0.57 116.25 120.11 2byt h VAL 61 Ca -0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.62 2byt h VAL 61 Cb 0.43 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.11 2byt h VAL 61 CO 0.04 0.00 0.35 0.25 0.02 0.00 0.00 177.57 178.23 2byt h LEU 62 N -0.42 0.39 -0.68 2.57 6.46 -1.29 -0.25 115.31 122.09 2byt h LEU 62 Ca 0.05 0.09 -0.10 0.00 -0.12 0.00 0.00 57.88 57.80 2byt h LEU 62 Cb 0.56 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 2byt h LEU 62 CO -0.48 0.18 -0.05 0.00 -0.62 0.00 0.00 178.44 177.48 2byt h ALA 63 N 1.51 0.88 -0.29 1.25 0.00 0.14 -2.47 119.26 120.28 2byt h ALA 63 Ca 0.40 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2byt h ALA 63 Cb 0.54 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2byt h ALA 63 CO -0.35 0.65 -0.26 0.00 0.00 0.00 0.00 179.25 179.29 2byt h ARG 64 N 0.89 0.69 0.22 0.00 3.08 0.84 -2.42 114.38 117.68 2byt h ARG 64 Ca 0.15 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 2byt h ARG 64 Cb 0.58 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 2byt h ARG 64 CO 0.03 0.96 -0.31 0.35 -1.07 0.00 0.00 179.97 179.94 2byt h PHE 65 N 0.43 -0.88 -0.34 3.04 3.57 -1.02 0.10 116.94 121.84 2byt h PHE 65 Ca 0.05 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.64 2byt h PHE 65 Cb 0.82 0.35 -0.08 0.00 2.79 0.00 0.00 35.95 39.83 2byt h PHE 65 CO 0.07 -0.39 -0.28 0.00 -2.23 0.00 0.00 178.31 175.48 2byt h ARG 66 N -0.55 -0.23 -0.93 1.11 2.47 -1.52 0.32 114.38 115.04 2byt h ARG 66 Ca -0.03 0.02 0.19 0.00 -1.26 0.00 0.00 59.98 58.90 2byt h ARG 66 Cb 0.50 0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 28.80 2byt h ARG 66 CO -0.09 -0.16 0.60 -0.09 0.56 0.00 0.00 179.97 180.80 2byt h ARG 67 N -0.24 0.57 -0.55 0.04 9.65 -1.24 0.76 114.38 123.36 2byt h ARG 67 Ca 0.16 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.94 2byt h ARG 67 Cb 0.51 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 2byt h ARG 67 CO -0.48 0.37 0.05 0.52 2.80 0.00 0.00 179.97 183.23 2byt h MET 68 N 0.58 0.91 -0.45 0.20 2.86 0.16 -2.79 114.93 116.40 2byt h MET 68 Ca 0.50 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.82 2byt h MET 68 Cb 0.99 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 2byt h MET 68 CO -0.24 0.87 -0.06 1.96 1.06 0.00 0.00 176.91 180.49 2byt h GLN 69 N 0.85 0.78 0.00 1.72 4.20 0.41 -2.78 115.11 120.29 2byt h GLN 69 Ca 0.17 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2byt h GLN 69 Cb 0.43 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2byt h GLN 69 CO 0.02 0.83 0.00 0.41 -0.67 0.00 0.00 178.83 179.41 2byt n GLY 70 N -0.53 1.26 3.48 3.46 0.00 -0.81 -4.66 105.19 107.39 2byt n GLY 70 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2byt n GLY 70 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2byt n TYR 71 N 0.00 -0.47 -2.72 1.61 4.01 -1.20 -4.86 117.16 113.53 2byt n TYR 71 Ca 0.00 0.48 -0.43 0.00 -0.16 0.00 0.00 57.90 57.79 2byt n TYR 71 Cb 0.00 -1.99 -0.03 0.00 -0.31 0.00 0.00 39.34 37.01 2byt n TYR 71 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2byt s GLU 72 N -1.98 3.63 0.09 -0.72 2.56 -0.81 -4.40 118.70 117.08 2byt s GLU 72 Ca 0.67 0.35 -0.05 0.00 0.00 0.00 0.00 54.97 55.95 2byt s GLU 72 Cb -0.48 -3.91 -0.05 0.00 2.00 0.00 0.00 34.13 31.68 2byt s GLU 72 CO 0.55 -1.28 0.33 0.08 -0.56 0.00 0.00 175.26 174.37 2byt s VAL 73 N 4.05 5.23 -0.28 3.70 1.01 -1.26 -1.74 120.40 131.11 2byt s VAL 73 Ca 0.42 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 2byt s VAL 73 Cb -0.09 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.77 2byt s VAL 73 CO 0.28 0.14 0.09 -0.22 0.00 0.00 0.00 175.10 175.40 2byt s LEU 74 N -2.38 1.52 -0.65 3.92 2.96 -1.04 -4.47 118.68 118.54 2byt s LEU 74 Ca 0.36 -1.35 -0.00 0.00 -0.22 0.00 0.00 54.13 52.92 2byt s LEU 74 Cb -0.13 -0.66 0.16 0.00 0.50 0.00 0.00 46.19 46.07 2byt s LEU 74 CO 0.23 -0.40 0.46 -2.28 -1.32 0.00 0.00 176.35 173.04 2byt s HIS 75 N 1.81 3.43 0.65 5.38 5.65 -1.26 -2.85 115.29 128.10 2byt s HIS 75 Ca 0.07 -2.93 -0.05 0.00 0.25 0.00 0.00 55.06 52.40 2byt s HIS 75 Cb -0.17 -3.07 0.04 0.00 -1.18 0.00 0.00 32.58 28.20 2byt s HIS 75 CO -0.24 -0.77 0.94 -1.25 -0.65 0.00 0.00 174.74 172.76 2byt s PRO 76 N -0.45 2.43 -0.28 2.88 0.04 -1.26 -2.51 135.00 135.85 2byt s PRO 76 Ca 0.19 -0.31 -0.24 0.00 0.04 0.00 0.00 61.00 60.68 2byt s PRO 76 Cb -0.18 -2.26 0.09 0.00 0.04 0.00 0.00 34.50 32.19 2byt s PRO 76 CO -0.05 -1.01 0.84 1.41 0.04 0.00 0.00 177.00 178.23 2byt s MET 77 N -5.09 0.69 0.00 4.56 1.75 -1.26 -4.73 119.30 115.23 2byt s MET 77 Ca 0.58 0.86 0.00 0.00 -1.25 0.00 0.00 55.69 55.88 2byt s MET 77 Cb -0.11 0.32 0.00 0.00 2.84 0.00 0.00 34.83 37.89 2byt s MET 77 CO 0.43 -0.09 0.00 0.41 -0.65 0.00 0.00 175.02 175.13 2byt n GLY 78 N 2.65 2.45 3.10 2.11 0.00 -1.26 -4.06 105.19 110.18 2byt n GLY 78 Ca -0.14 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 2byt n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2byt s TRP 79 N -7.20 1.71 -1.33 1.61 0.52 0.15 -4.31 118.94 110.09 2byt s TRP 79 Ca 0.00 -0.58 -0.10 0.00 0.02 0.00 0.00 56.10 55.44 2byt s TRP 79 Cb 0.00 -1.19 0.13 0.00 -1.15 0.00 0.00 33.47 31.27 2byt s TRP 79 CO 0.00 -0.24 1.99 -3.47 0.02 0.00 0.00 176.95 175.25 2byt n ASP 80 N 3.45 4.96 0.14 2.95 -0.08 -0.66 -2.38 116.55 124.92 2byt n ASP 80 Ca -0.20 -3.04 -0.13 0.00 -1.51 0.00 0.00 54.79 49.90 2byt n ASP 80 Cb 0.53 -1.52 -0.08 0.00 2.34 0.00 0.00 41.12 42.39 2byt n ASP 80 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2byt h ALA 81 N 5.74 -0.35 -2.06 -1.67 0.00 -1.93 -3.36 119.26 115.63 2byt h ALA 81 Ca 0.45 -0.18 -0.41 0.00 0.00 0.00 0.00 54.91 54.78 2byt h ALA 81 Cb 0.61 0.14 0.21 0.00 0.00 0.00 0.00 17.79 18.75 2byt h ALA 81 CO 1.69 -0.54 -0.05 -0.06 0.00 0.00 0.00 179.25 180.28 2byt s PHE 82 N -4.79 0.29 0.00 0.00 0.08 -1.26 -4.33 117.98 107.97 2byt s PHE 82 Ca -0.14 0.82 0.00 0.00 0.12 0.00 0.00 56.93 57.73 2byt s PHE 82 Cb 0.02 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.47 2byt s PHE 82 CO 0.57 -4.48 0.00 0.41 -0.10 0.00 0.00 175.22 171.62 2byt n GLY 83 N 1.02 -2.66 0.13 4.36 0.00 -1.15 -4.56 105.19 102.33 2byt n GLY 83 Ca 0.08 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 2byt n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2byt h LEU 84 N 0.00 -0.20 -0.51 0.99 3.38 -1.92 -2.97 115.31 114.07 2byt h LEU 84 Ca 0.00 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2byt h LEU 84 Cb 0.00 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 2byt h LEU 84 CO 0.00 -0.09 -0.30 -2.65 0.09 0.00 0.00 178.44 175.49 2byt n PRO 85 N -5.16 -0.23 0.32 1.13 -0.02 -1.26 0.23 135.00 130.01 2byt n PRO 85 Ca -0.09 0.97 -0.14 0.00 -2.02 0.00 0.00 63.50 62.22 2byt n PRO 85 Cb 0.14 -1.43 -0.07 0.00 -0.02 0.00 0.00 33.50 32.12 2byt n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2byt h ALA 86 N 0.06 -0.85 -0.65 3.55 0.00 -1.75 -3.02 119.26 116.59 2byt h ALA 86 Ca 0.08 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.93 2byt h ALA 86 Cb 0.21 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.22 2byt h ALA 86 CO -0.48 -0.82 0.03 1.49 0.00 0.00 0.00 179.25 179.46 2byt h GLU 87 N -1.16 0.14 -0.16 0.00 4.81 -1.15 0.42 114.58 117.48 2byt h GLU 87 Ca -0.09 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2byt h GLU 87 Cb 0.68 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2byt h GLU 87 CO 0.14 0.09 0.15 -0.91 -0.73 0.00 0.00 179.01 177.75 2byt h ASN 88 N 0.14 0.00 0.00 1.04 4.21 0.28 0.03 115.58 121.28 2byt h ASN 88 Ca 0.35 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.83 2byt h ASN 88 Cb 0.58 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.77 2byt h ASN 88 CO -0.54 0.00 -0.20 0.00 -1.29 0.00 0.00 177.43 175.40 2byt h ALA 89 N 1.86 0.03 -0.04 -0.83 0.00 -0.12 -3.21 119.26 116.95 2byt h ALA 89 Ca 0.08 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2byt h ALA 89 Cb 0.37 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2byt h ALA 89 CO -0.00 0.13 0.19 0.00 0.00 0.00 0.00 179.25 179.57 2byt h ALA 90 N -0.50 1.29 0.00 0.00 0.00 -0.65 0.26 119.26 119.66 2byt h ALA 90 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2byt h ALA 90 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2byt h ALA 90 CO -0.03 -0.21 -0.66 -0.07 0.00 0.00 0.00 179.25 178.29 2byt h LEU 91 N 0.00 0.00 -0.30 0.00 4.07 -1.09 -0.19 115.31 117.79 2byt h LEU 91 Ca 0.02 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.77 2byt h LEU 91 Cb 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 2byt h LEU 91 CO -0.00 0.10 -0.28 1.17 -1.08 0.00 0.00 178.44 178.36 2byt n LYS 92 N -2.14 0.56 -0.12 1.13 4.81 0.90 -3.76 118.16 119.53 2byt n LYS 92 Ca 0.03 -0.30 0.04 0.00 -0.87 0.00 0.00 58.31 57.21 2byt n LYS 92 Cb 0.45 -1.49 0.05 0.00 0.02 0.00 0.00 35.03 34.06 2byt n LYS 92 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2byt n PHE 93 N -0.96 0.00 -4.00 5.64 3.01 -1.17 -5.01 117.46 114.97 2byt n PHE 93 Ca 0.11 -0.53 -0.30 0.00 1.01 0.00 0.00 57.45 57.73 2byt n PHE 93 Cb 0.33 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 2byt n PHE 93 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2byt n GLY 94 N -0.70 -0.40 3.43 1.37 0.00 -1.17 -4.98 105.19 102.75 2byt n GLY 94 Ca 0.06 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 2byt n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2byt s VAL 95 N -3.48 2.41 0.09 1.61 1.01 -0.09 -5.04 120.40 116.90 2byt s VAL 95 Ca 0.48 -1.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.20 2byt s VAL 95 Cb -0.25 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 2byt s VAL 95 CO 0.87 -0.08 1.13 -2.28 0.00 0.00 0.00 175.10 174.74 2byt s HIS 96 N -1.57 3.53 0.17 5.22 5.65 -1.26 -4.44 115.29 122.58 2byt s HIS 96 Ca 0.20 1.47 -0.18 0.00 0.25 0.00 0.00 55.06 56.80 2byt s HIS 96 Cb -0.08 -3.32 0.09 0.00 -1.18 0.00 0.00 32.58 28.09 2byt s HIS 96 CO 0.10 -0.83 1.66 -1.00 -0.65 0.00 0.00 174.74 174.01 2byt h PRO 97 N 6.23 -0.06 -0.43 2.88 0.13 -1.96 0.12 132.00 138.92 2byt h PRO 97 Ca -0.42 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.83 2byt h PRO 97 Cb 1.21 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2byt h PRO 97 CO 0.77 -0.04 0.39 -0.22 -0.23 0.00 0.00 178.00 178.67 2byt h LYS 98 N -0.06 0.00 0.11 0.86 3.64 -1.99 0.80 116.57 119.93 2byt h LYS 98 Ca 0.19 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.21 2byt h LYS 98 Cb 0.35 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2byt h LYS 98 CO -0.43 0.00 -1.99 -0.25 -2.27 0.00 0.00 179.45 174.51 2byt n ASP 99 N -3.98 2.10 0.17 4.20 8.00 -0.42 -3.44 116.55 123.18 2byt n ASP 99 Ca 0.08 0.20 0.04 0.00 0.71 0.00 0.00 54.79 55.81 2byt n ASP 99 Cb 0.58 -0.84 0.46 0.00 -0.02 0.00 0.00 41.12 41.30 2byt n ASP 99 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 2byt h TRP 100 N -0.02 0.14 0.00 1.24 2.91 -0.12 -2.77 115.95 117.32 2byt h TRP 100 Ca -0.43 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.57 2byt h TRP 100 Cb 1.97 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 30.58 2byt h TRP 100 CO 0.07 0.26 0.00 2.41 -1.03 0.00 0.00 178.44 180.16 2byt n THR 101 N -4.32 0.00 -0.06 2.65 -1.04 0.21 -1.92 114.28 109.80 2byt n THR 101 Ca -0.01 0.70 0.23 0.00 -2.04 0.00 0.00 64.05 62.92 2byt n THR 101 Cb 0.24 -1.64 0.49 0.00 -1.82 0.00 0.00 70.33 67.60 2byt n THR 101 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 2byt h TYR 102 N 0.00 0.00 0.03 -1.42 0.99 -1.63 0.46 116.97 115.39 2byt h TYR 102 Ca 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2byt h TYR 102 Cb 0.00 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.73 2byt h TYR 102 CO 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 178.16 178.20 2byt h ALA 103 N 0.76 -0.03 -0.54 3.88 0.00 -1.56 -2.93 119.26 118.84 2byt h ALA 103 Ca 0.34 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 55.05 2byt h ALA 103 Cb 2.26 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 20.03 2byt h ALA 103 CO -0.00 -0.05 0.37 -0.97 0.00 0.00 0.00 179.25 178.59 2byt h ASN 104 N -0.96 0.24 -0.27 0.00 -1.24 0.55 -1.27 115.58 112.62 2byt h ASN 104 Ca -0.00 0.01 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 2byt h ASN 104 Cb 0.63 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.63 2byt h ASN 104 CO 0.01 0.14 -0.14 0.40 -1.29 0.00 0.00 177.43 176.55 2byt h ILE 105 N 0.27 1.30 -0.12 2.57 2.04 -1.23 -1.50 117.51 120.84 2byt h ILE 105 Ca 0.25 -1.24 0.03 0.00 1.00 0.00 0.00 64.86 64.90 2byt h ILE 105 Cb 0.64 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 2byt h ILE 105 CO -0.05 0.39 -0.04 -0.09 0.00 0.00 0.00 178.15 178.36 2byt h ARG 106 N 0.31 -0.02 -0.77 2.37 2.43 -1.06 -0.29 114.38 117.35 2byt h ARG 106 Ca 0.06 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2byt h ARG 106 Cb 0.66 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.16 2byt h ARG 106 CO 0.04 -0.01 0.48 1.96 -1.51 0.00 0.00 179.97 180.93 2byt h GLN 107 N -0.02 0.90 0.43 0.20 4.20 -1.37 -2.60 115.11 116.85 2byt h GLN 107 Ca 0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2byt h GLN 107 Cb 0.11 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2byt h GLN 107 CO -0.13 0.60 -0.22 0.00 -0.67 0.00 0.00 178.83 178.40 2byt h ALA 108 N 1.34 -1.14 -1.30 3.87 0.00 -0.51 -2.53 119.26 119.00 2byt h ALA 108 Ca 0.32 -0.13 0.38 0.00 0.00 0.00 0.00 54.91 55.47 2byt h ALA 108 Cb 0.05 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2byt h ALA 108 CO -0.13 -1.10 0.90 0.87 0.00 0.00 0.00 179.25 179.80 2byt h LYS 109 N -0.60 0.09 -0.24 0.00 1.57 -1.03 0.20 116.57 116.56 2byt h LYS 109 Ca -0.06 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2byt h LYS 109 Cb 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2byt h LYS 109 CO 0.09 0.06 -0.00 1.49 -0.57 0.00 0.00 179.45 180.51 2byt h GLU 110 N 0.09 0.43 0.91 3.15 4.81 -1.18 -0.40 114.58 122.38 2byt h GLU 110 Ca 0.66 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.71 2byt h GLU 110 Cb 2.39 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 31.74 2byt h GLU 110 CO -0.12 0.60 -0.44 0.77 -0.73 0.00 0.00 179.01 179.10 2byt h SER 111 N 0.20 -1.03 -0.79 1.04 0.02 -0.22 -0.78 113.55 111.98 2byt h SER 111 Ca 0.07 0.04 0.17 0.00 -0.84 0.00 0.00 61.79 61.23 2byt h SER 111 Cb 0.41 0.27 -0.15 0.00 0.14 0.00 0.00 62.40 63.07 2byt h SER 111 CO 0.01 -0.72 -0.10 -0.07 -1.14 0.00 0.00 176.83 174.81 2byt h LEU 112 N -1.25 -0.57 -0.82 5.07 3.38 -1.30 0.17 115.31 119.99 2byt h LEU 112 Ca -0.12 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2byt h LEU 112 Cb 0.94 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 42.08 2byt h LEU 112 CO 0.20 -0.24 0.52 -0.09 0.09 0.00 0.00 178.44 178.93 2byt h ARG 113 N 0.04 1.09 -0.58 1.13 2.43 -0.88 -2.19 114.38 115.41 2byt h ARG 113 Ca 0.41 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.48 2byt h ARG 113 Cb 0.70 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2byt h ARG 113 CO -0.77 0.74 0.26 -0.07 -1.51 0.00 0.00 179.97 178.62 2byt h LEU 114 N 1.11 0.75 0.00 3.80 3.38 0.81 -1.56 115.31 123.59 2byt h LEU 114 Ca 0.30 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2byt h LEU 114 Cb -0.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.46 2byt h LEU 114 CO -0.06 0.65 0.00 0.23 0.09 0.00 0.00 178.44 179.35 2byt n MET 115 N -4.35 0.57 -1.78 1.13 2.81 -0.49 -4.71 117.12 110.31 2byt n MET 115 Ca 0.05 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.84 2byt n MET 115 Cb 0.14 -1.39 -0.02 0.00 -0.71 0.00 0.00 33.22 31.25 2byt n MET 115 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2byt n GLY 116 N 0.12 0.49 3.69 3.03 0.00 -0.59 -4.83 105.19 107.11 2byt n GLY 116 Ca 0.11 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 2byt n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2byt s ILE 117 N -2.43 5.17 0.15 -0.61 1.01 -1.08 -5.01 121.20 118.40 2byt s ILE 117 Ca 0.00 0.88 0.04 0.00 0.00 0.00 0.00 60.65 61.57 2byt s ILE 117 Cb 0.00 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2byt s ILE 117 CO 0.00 0.27 0.17 -0.76 0.00 0.00 0.00 174.94 174.63 2byt s LEU 118 N 1.05 3.98 0.00 2.97 1.02 -1.26 -4.51 118.68 121.92 2byt s LEU 118 Ca 0.23 -0.02 -0.01 0.00 0.02 0.00 0.00 54.13 54.36 2byt s LEU 118 Cb -0.15 -2.58 0.01 0.00 0.02 0.00 0.00 46.19 43.48 2byt s LEU 118 CO 0.09 0.08 0.46 -1.22 0.02 0.00 0.00 176.35 175.78 2byt n TYR 119 N -0.28 -1.37 -3.70 0.29 4.01 -1.26 -4.94 117.16 109.90 2byt n TYR 119 Ca -0.08 -2.31 -0.34 0.00 -0.16 0.00 0.00 57.90 55.02 2byt n TYR 119 Cb 0.54 0.51 -0.08 0.00 -0.31 0.00 0.00 39.34 40.01 2byt n TYR 119 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2byt n ASP 120 N -1.65 3.92 0.00 7.72 2.03 -1.04 -4.69 116.55 122.84 2byt n ASP 120 Ca 0.01 -3.16 0.02 0.00 0.52 0.00 0.00 54.79 52.18 2byt n ASP 120 Cb 0.57 -0.97 0.09 0.00 -0.72 0.00 0.00 41.12 40.08 2byt n ASP 120 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 2byt n TRP 121 N 2.18 0.00 1.06 -0.67 7.02 -1.26 -1.49 117.44 124.28 2byt n TRP 121 Ca 0.21 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.79 2byt n TRP 121 Cb 0.36 -0.40 0.52 0.00 -2.42 0.00 0.00 31.31 29.37 2byt n TRP 121 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2byt n ASP 122 N -1.40 0.00 -0.19 -0.99 8.00 -1.26 -2.09 116.55 118.62 2byt n ASP 122 Ca 0.01 -0.39 0.02 0.00 0.71 0.00 0.00 54.79 55.15 2byt n ASP 122 Cb 0.04 -0.09 0.02 0.00 -0.02 0.00 0.00 41.12 41.07 2byt n ASP 122 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2byt n ARG 123 N -1.09 -0.22 -1.52 -1.24 1.74 -0.55 -4.94 116.66 108.84 2byt n ARG 123 Ca 0.12 -0.77 -0.50 0.00 -0.77 0.00 0.00 57.85 55.93 2byt n ARG 123 Cb 0.09 -1.09 -0.04 0.00 -1.02 0.00 0.00 32.46 30.40 2byt n ARG 123 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2byt n GLU 124 N 0.25 0.71 -4.56 5.56 2.13 -0.89 -4.78 120.64 119.06 2byt n GLU 124 Ca 0.03 0.25 -0.22 0.00 0.66 0.00 0.00 57.16 57.88 2byt n GLU 124 Cb 0.12 -1.61 -0.16 0.00 0.27 0.00 0.00 31.44 30.07 2byt n GLU 124 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2byt s VAL 125 N -0.49 1.02 -0.31 6.31 -7.23 -1.26 -5.01 120.40 113.44 2byt s VAL 125 Ca 0.72 -0.49 0.01 0.00 -1.81 0.00 0.00 61.98 60.40 2byt s VAL 125 Cb -0.92 -0.89 0.07 0.00 0.56 0.00 0.00 36.38 35.20 2byt s VAL 125 CO 0.55 0.31 -0.00 -0.89 -0.31 0.00 0.00 175.10 174.75 2byt s THR 126 N 0.12 2.61 0.25 5.32 2.01 -1.26 -0.67 115.64 124.02 2byt s THR 126 Ca -0.03 -1.73 -0.03 0.00 0.31 0.00 0.00 61.69 60.21 2byt s THR 126 Cb -0.09 -2.63 0.25 0.00 0.01 0.00 0.00 72.50 70.04 2byt s THR 126 CO 0.01 -0.24 1.69 0.71 -0.69 0.00 0.00 174.62 176.09 2byt h THR 127 N 6.59 0.50 0.00 -0.82 1.35 -1.86 -2.02 112.91 116.65 2byt h THR 127 Ca -0.16 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2byt h THR 127 Cb 1.04 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2byt h THR 127 CO 0.52 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.85 2byt s GLU 129 N -2.39 4.29 0.24 0.00 2.02 -0.76 -4.87 118.70 117.22 2byt s GLU 129 Ca 0.16 0.91 -0.05 0.00 0.02 0.00 0.00 54.97 56.01 2byt s GLU 129 Cb 0.09 -2.89 0.39 0.00 0.10 0.00 0.00 34.13 31.83 2byt s GLU 129 CO 0.20 0.39 1.78 -1.35 0.02 0.00 0.00 175.26 176.29 2byt h PRO 130 N 3.43 0.60 0.00 0.39 0.11 -1.89 0.10 132.00 134.75 2byt h PRO 130 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2byt h PRO 130 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2byt h PRO 130 CO 0.65 0.40 0.20 0.39 -0.21 0.00 0.00 178.00 179.43 2byt n GLU 131 N -4.86 0.05 0.03 1.05 4.71 -1.26 -1.66 120.64 118.69 2byt n GLU 131 Ca 0.13 0.45 -0.00 0.00 -0.01 0.00 0.00 57.16 57.72 2byt n GLU 131 Cb 0.31 -1.85 -0.00 0.00 -1.01 0.00 0.00 31.44 28.89 2byt n GLU 131 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20 2byt n TYR 132 N -1.69 0.00 0.02 -0.32 4.19 0.20 -4.70 117.16 114.86 2byt n TYR 132 Ca -0.00 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.21 2byt n TYR 132 Cb 0.21 -0.02 0.04 0.00 0.49 0.00 0.00 39.34 40.06 2byt n TYR 132 CO 0.00 0.00 0.00 2.48 0.91 0.00 0.00 176.86 180.25 2byt n TYR 133 N -3.14 0.05 -0.07 2.98 4.11 -0.29 -0.58 117.16 120.23 2byt n TYR 133 Ca -0.01 0.03 -0.10 0.00 -0.00 0.00 0.00 57.90 57.82 2byt n TYR 133 Cb 0.02 -0.41 -0.03 0.00 -0.00 0.00 0.00 39.34 38.92 2byt n TYR 133 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.86 176.93 2byt h ARG 134 N 0.00 0.35 0.00 -3.48 0.11 -1.53 -1.94 114.38 107.88 2byt h ARG 134 Ca 0.00 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 60.01 2byt h ARG 134 Cb 0.28 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.29 2byt h ARG 134 CO 0.00 0.33 -0.12 -1.49 0.10 0.00 0.00 179.97 178.79 2byt h TRP 135 N 0.28 0.00 -0.46 4.08 4.06 -1.10 0.04 115.95 122.85 2byt h TRP 135 Ca 0.09 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.03 2byt h TRP 135 Cb 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 2byt h TRP 135 CO -0.03 0.12 0.27 -0.91 -3.56 0.00 0.00 178.44 174.33 2byt h ASN 136 N 0.00 0.54 0.02 -3.49 -0.26 -1.36 -0.72 115.58 110.32 2byt h ASN 136 Ca -0.00 -0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 2byt h ASN 136 Cb 0.42 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 2byt h ASN 136 CO 0.02 0.42 -0.01 1.56 -1.06 0.00 0.00 177.43 178.36 2byt h GLN 137 N 0.63 -0.03 -0.89 0.81 4.20 -0.83 -2.52 115.11 116.49 2byt h GLN 137 Ca 0.17 0.00 0.24 0.00 0.06 0.00 0.00 58.65 59.12 2byt h GLN 137 Cb -0.01 0.01 -0.14 0.00 0.30 0.00 0.00 27.48 27.63 2byt h GLN 137 CO -0.03 0.70 0.28 2.35 -0.67 0.00 0.00 178.83 181.46 2byt h TRP 138 N -0.84 0.42 0.01 2.96 7.01 -0.91 0.35 115.95 124.94 2byt h TRP 138 Ca -0.00 0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2byt h TRP 138 Cb 0.74 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.76 2byt h TRP 138 CO 0.19 -0.19 -0.00 0.82 -2.79 0.00 0.00 178.44 176.46 2byt h ILE 139 N 0.23 1.20 -1.08 2.65 2.04 -1.18 -2.34 117.51 119.04 2byt h ILE 139 Ca 0.57 -0.62 0.29 0.00 1.00 0.00 0.00 64.86 66.10 2byt h ILE 139 Cb 1.15 1.62 -0.09 0.00 -0.74 0.00 0.00 36.82 38.76 2byt h ILE 139 CO -0.64 0.16 0.71 0.15 0.00 0.00 0.00 178.15 178.53 2byt h PHE 140 N -0.28 0.53 0.56 1.37 3.04 0.06 -0.17 116.94 122.05 2byt h PHE 140 Ca -0.00 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 2byt h PHE 140 Cb 0.27 -0.15 0.01 0.00 2.56 0.00 0.00 35.95 38.63 2byt h PHE 140 CO 0.02 0.03 -0.27 -0.07 -2.02 0.00 0.00 178.31 176.00 2byt h LEU 141 N 0.30 -0.64 -1.73 0.59 3.38 -0.71 -2.10 115.31 114.40 2byt h LEU 141 Ca 0.60 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.83 2byt h LEU 141 Cb 1.70 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 2byt h LEU 141 CO -0.25 -0.23 0.80 0.11 0.09 0.00 0.00 178.44 178.95 2byt h LYS 142 N -1.20 0.00 0.00 1.13 1.79 -0.57 1.32 116.57 119.05 2byt h LYS 142 Ca -0.08 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.26 2byt h LYS 142 Cb 0.59 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 2byt h LYS 142 CO 0.13 0.00 -0.78 0.52 -1.08 0.00 0.00 179.45 178.24 2byt h MET 143 N 0.00 0.00 0.33 3.15 2.86 -0.97 -3.12 114.93 117.18 2byt h MET 143 Ca 0.39 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.02 2byt h MET 143 Cb 1.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.65 2byt h MET 143 CO -0.00 0.52 -0.16 2.35 1.06 0.00 0.00 176.91 180.68 2byt h TRP 144 N 0.00 -0.42 -0.70 -0.22 2.91 0.24 0.30 115.95 118.07 2byt h TRP 144 Ca -0.04 -0.01 0.14 0.00 1.13 0.00 0.00 58.89 60.10 2byt h TRP 144 Cb 1.49 0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 30.23 2byt h TRP 144 CO 0.00 -0.09 0.47 0.93 -1.03 0.00 0.00 178.44 178.72 2byt h GLU 145 N -0.94 0.36 -0.15 2.65 5.08 -1.51 0.67 114.58 120.74 2byt h GLU 145 Ca -0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2byt h GLU 145 Cb 0.52 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2byt h GLU 145 CO 0.08 0.24 0.00 1.17 -1.00 0.00 0.00 179.01 179.50 2byt n LYS 146 N -4.47 1.43 -1.88 2.33 4.81 -1.18 -4.90 118.16 114.32 2byt n LYS 146 Ca 0.13 -0.67 -0.20 0.00 -0.87 0.00 0.00 58.31 56.71 2byt n LYS 146 Cb 0.50 -1.25 -0.06 0.00 0.02 0.00 0.00 35.03 34.24 2byt n LYS 146 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2byt n GLY 147 N 0.90 1.00 0.02 3.14 0.00 0.23 -4.85 105.19 105.62 2byt n GLY 147 Ca 0.11 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.17 2byt n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2byt n LEU 148 N -2.45 0.65 -4.61 0.99 4.77 0.10 -4.87 117.00 111.58 2byt n LEU 148 Ca -0.21 -0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.39 2byt n LEU 148 Cb 0.66 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 2byt n LEU 148 CO 0.29 0.11 -0.39 0.00 -1.33 0.00 0.00 177.39 176.07 2byt s ALA 149 N -3.08 3.06 -0.03 -1.18 0.00 -0.99 0.29 121.76 119.83 2byt s ALA 149 Ca 0.08 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.49 2byt s ALA 149 Cb 0.16 -0.96 0.11 0.00 0.00 0.00 0.00 23.12 22.43 2byt s ALA 149 CO 0.77 0.63 1.31 1.52 0.00 0.00 0.00 175.76 179.99 2byt s TYR 150 N -1.33 -0.01 0.17 0.00 -0.85 -0.58 -4.79 117.35 109.97 2byt s TYR 150 Ca 0.23 -0.08 0.10 0.00 -0.52 0.00 0.00 57.07 56.80 2byt s TYR 150 Cb -0.11 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 2byt s TYR 150 CO 0.15 -0.22 -0.19 1.03 -1.52 0.00 0.00 175.55 174.80 2byt s ARG 151 N -2.19 1.73 -0.25 -3.49 0.52 -1.26 0.12 118.95 114.12 2byt s ARG 151 Ca 0.21 -1.38 -0.30 0.00 -0.52 0.00 0.00 55.73 53.74 2byt s ARG 151 Cb 0.03 -1.99 0.17 0.00 0.52 0.00 0.00 34.95 33.68 2byt s ARG 151 CO -0.03 0.43 1.27 0.00 0.02 0.00 0.00 175.30 176.98 2byt s ALA 152 N -1.57 -2.07 1.00 2.13 0.00 -0.87 -4.96 121.76 115.42 2byt s ALA 152 Ca 0.21 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.99 2byt s ALA 152 Cb -0.09 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2byt s ALA 152 CO 0.11 -0.27 0.00 1.63 0.00 0.00 0.00 175.76 177.23 2byt n LYS 153 N 0.54 2.35 0.00 0.00 5.02 -1.26 -2.22 118.16 122.58 2byt n LYS 153 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2byt n LYS 153 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 2byt n LYS 153 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2byt n GLY 154 N 4.52 2.10 3.69 0.72 0.00 -1.25 -4.81 105.19 110.16 2byt n GLY 154 Ca 0.00 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 2byt n GLY 154 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2byt s LEU 155 N 0.00 4.30 0.26 0.99 1.43 -1.26 -3.07 118.68 121.32 2byt s LEU 155 Ca 0.00 2.01 0.10 0.00 -1.03 0.00 0.00 54.13 55.21 2byt s LEU 155 Cb 0.00 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2byt s LEU 155 CO 0.00 -0.68 -0.06 0.68 0.23 0.00 0.00 176.35 176.53 2byt s VAL 156 N 2.36 3.21 0.00 -1.59 -7.23 -1.09 -4.90 120.40 111.16 2byt s VAL 156 Ca 0.61 -1.98 -0.28 0.00 -1.81 0.00 0.00 61.98 58.52 2byt s VAL 156 Cb -0.29 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 2byt s VAL 156 CO 0.25 -0.34 0.89 0.20 -0.31 0.00 0.00 175.10 175.78 2byt s ASN 157 N -3.53 7.28 -0.11 4.85 -0.87 -1.26 -1.65 114.94 119.66 2byt s ASN 157 Ca 0.30 1.55 0.02 0.00 -1.57 0.00 0.00 52.86 53.15 2byt s ASN 157 Cb -0.06 -2.53 -0.01 0.00 -0.02 0.00 0.00 41.25 38.63 2byt s ASN 157 CO 0.18 -0.17 -0.16 0.86 -2.57 0.00 0.00 177.10 175.24 2byt s TRP 158 N 0.72 2.73 -0.42 2.20 -0.11 0.63 -2.16 118.94 122.52 2byt s TRP 158 Ca 0.47 -0.66 -0.11 0.00 1.22 0.00 0.00 56.10 57.01 2byt s TRP 158 Cb -0.20 -1.77 0.06 0.00 -1.50 0.00 0.00 33.47 30.05 2byt s TRP 158 CO 0.25 -0.20 0.29 0.00 -4.62 0.00 0.00 176.95 172.67 2byt h PRO 160 N 8.52 0.55 0.09 0.00 0.13 -1.87 0.76 132.00 140.18 2byt h PRO 160 Ca -0.25 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2byt h PRO 160 Cb 1.10 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2byt h PRO 160 CO 0.77 0.36 -0.05 0.87 -0.23 0.00 0.00 178.00 179.73 2byt h LYS 161 N 0.56 -0.12 0.00 0.86 1.57 -1.93 -3.13 116.57 114.38 2byt h LYS 161 Ca 0.36 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2byt h LYS 161 Cb 0.63 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.97 2byt h LYS 161 CO -0.13 0.37 0.00 0.00 -0.57 0.00 0.00 179.45 179.12 2byt n GLN 163 N -2.32 -4.12 -3.69 0.00 1.13 0.26 -4.93 117.38 103.71 2byt n GLN 163 Ca 0.03 0.51 -0.04 0.00 -1.94 0.00 0.00 57.00 55.55 2byt n GLN 163 Cb 0.28 -4.89 -0.01 0.00 0.11 0.00 0.00 30.24 25.72 2byt n GLN 163 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2byt s THR 164 N -3.76 0.00 0.34 5.09 -1.32 -1.18 -4.47 115.64 110.34 2byt s THR 164 Ca 0.08 -0.49 -0.13 0.00 -1.21 0.00 0.00 61.69 59.94 2byt s THR 164 Cb -0.04 -1.78 -0.08 0.00 -1.51 0.00 0.00 72.50 69.09 2byt s THR 164 CO 0.85 0.00 0.74 0.68 -2.21 0.00 0.00 174.62 174.68 2byt s VAL 165 N -3.18 4.72 0.15 5.08 -7.23 -1.26 -1.76 120.40 116.93 2byt s VAL 165 Ca 0.11 0.83 0.08 0.00 -1.81 0.00 0.00 61.98 61.18 2byt s VAL 165 Cb -0.01 -3.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.25 2byt s VAL 165 CO -0.01 -0.28 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.58 2byt s LEU 166 N -3.23 2.44 0.60 1.32 1.43 -0.92 -4.82 118.68 115.51 2byt s LEU 166 Ca 0.53 -0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 2byt s LEU 166 Cb -0.10 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 2byt s LEU 166 CO 0.22 -0.08 1.04 0.00 0.23 0.00 0.00 176.35 177.76 2byt s ALA 167 N -2.16 2.80 0.53 4.21 0.00 -1.26 -4.37 121.76 121.51 2byt s ALA 167 Ca 0.14 0.28 0.21 0.00 0.00 0.00 0.00 51.96 52.59 2byt s ALA 167 Cb -0.05 -3.19 1.37 0.00 0.00 0.00 0.00 23.12 21.24 2byt s ALA 167 CO 0.05 -0.79 2.10 -0.91 0.00 0.00 0.00 175.76 176.22 2byt h ASN 168 N 0.27 0.00 0.65 0.00 4.21 -1.93 0.25 115.58 119.02 2byt h ASN 168 Ca -0.46 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.05 2byt h ASN 168 Cb 1.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 2byt h ASN 168 CO 0.58 0.00 0.00 -0.33 -1.29 0.00 0.00 177.43 176.39 2byt h GLU 169 N 0.00 0.00 -0.61 0.81 3.07 -1.91 -2.52 114.58 113.42 2byt h GLU 169 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 2byt h GLU 169 Cb 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2byt h GLU 169 CO -0.00 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.65 2byt n GLN 170 N -2.52 4.67 -3.91 2.33 6.02 0.87 -4.73 117.38 120.10 2byt n GLN 170 Ca 0.01 -2.99 -0.30 0.00 -0.01 0.00 0.00 57.00 53.71 2byt n GLN 170 Cb 0.21 -2.21 -0.13 0.00 1.02 0.00 0.00 30.24 29.12 2byt n GLN 170 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2byt s VAL 171 N -2.63 2.79 -0.15 5.09 1.01 -0.95 -2.61 120.40 122.95 2byt s VAL 171 Ca 0.52 -3.59 -0.19 0.00 0.00 0.00 0.00 61.98 58.72 2byt s VAL 171 Cb 0.39 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2byt s VAL 171 CO 0.16 -0.87 0.52 -0.69 0.00 0.00 0.00 175.10 174.22 2byt s VAL 172 N -0.64 5.13 -0.21 2.92 1.01 -0.64 -4.00 120.40 123.98 2byt s VAL 172 Ca 0.19 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.19 2byt s VAL 172 Cb -0.19 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.33 2byt s VAL 172 CO -0.05 0.24 0.00 -0.62 0.00 0.00 0.00 175.10 174.67 2byt n GLU 173 N 4.25 -1.77 -0.55 2.72 1.02 -1.26 -0.61 120.64 124.44 2byt n GLU 173 Ca -0.05 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 2byt n GLU 173 Cb 0.51 -4.89 0.00 0.00 -0.02 0.00 0.00 31.44 27.04 2byt n GLU 173 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2byt n GLY 174 N 0.51 0.69 3.56 0.62 0.00 -1.26 -4.79 105.19 104.53 2byt n GLY 174 Ca -0.02 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 2byt n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2byt s ARG 175 N -0.80 1.93 0.60 1.61 0.52 0.22 -3.78 118.95 119.25 2byt s ARG 175 Ca 0.00 -2.17 -0.18 0.00 -0.52 0.00 0.00 55.73 52.86 2byt s ARG 175 Cb 0.00 -0.91 -0.03 0.00 0.52 0.00 0.00 34.95 34.53 2byt s ARG 175 CO 0.00 -0.37 1.15 0.00 0.02 0.00 0.00 175.30 176.09 2byt h TRP 177 N 0.71 0.00 0.00 0.00 5.08 -1.83 -3.27 115.95 116.64 2byt h TRP 177 Ca -0.49 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.26 2byt h TRP 177 Cb 1.27 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.39 2byt h TRP 177 CO 0.51 0.00 -1.84 0.54 -1.28 0.00 0.00 178.44 176.37 2byt n ARG 178 N -2.86 1.96 -3.65 0.12 5.12 -1.26 -4.75 116.66 111.33 2byt n ARG 178 Ca 0.03 -0.01 -0.33 0.00 -1.93 0.00 0.00 57.85 55.61 2byt n ARG 178 Cb 0.40 -1.31 -0.08 0.00 -1.16 0.00 0.00 32.46 30.30 2byt n ARG 178 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2byt n HIS 179 N -2.44 3.78 -0.23 -1.55 8.25 -1.23 -4.95 115.22 116.85 2byt n HIS 179 Ca -0.20 -4.10 0.00 0.00 -0.26 0.00 0.00 57.72 53.16 2byt n HIS 179 Cb 0.89 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 31.07 2byt n HIS 179 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2byt n GLU 180 N 1.95 0.68 0.00 -0.41 4.07 -1.23 -1.75 120.64 123.96 2byt n GLU 180 Ca 0.23 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 2byt n GLU 180 Cb 0.37 -1.16 0.00 0.00 -0.06 0.00 0.00 31.44 30.59 2byt n GLU 180 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2byt n ASP 181 N 1.55 0.00 -4.50 4.31 5.75 -1.26 -5.00 116.55 117.41 2byt n ASP 181 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.35 2byt n ASP 181 Cb 0.34 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.35 2byt n ASP 181 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2byt s THR 182 N 0.00 5.04 1.25 2.12 2.01 -0.71 -5.06 115.64 120.29 2byt s THR 182 Ca 0.00 -0.20 -0.18 0.00 0.31 0.00 0.00 61.69 61.62 2byt s THR 182 Cb 0.00 -4.05 0.28 0.00 0.01 0.00 0.00 72.50 68.73 2byt s THR 182 CO 0.00 -0.42 0.68 -2.65 -0.69 0.00 0.00 174.62 171.54 2byt n PRO 183 N 5.72 -3.14 -4.83 4.92 -0.02 -1.26 -3.10 135.00 133.28 2byt n PRO 183 Ca -0.06 -0.91 -0.25 0.00 -2.02 0.00 0.00 63.50 60.25 2byt n PRO 183 Cb 0.48 -1.90 -0.16 0.00 -0.02 0.00 0.00 33.50 31.90 2byt n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2byt s VAL 184 N -2.23 1.39 0.48 -1.45 1.01 -1.25 -4.65 120.40 113.72 2byt s VAL 184 Ca 0.61 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.92 2byt s VAL 184 Cb -0.16 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2byt s VAL 184 CO 0.59 0.40 0.25 -1.61 0.00 0.00 0.00 175.10 174.73 2byt s GLU 185 N -0.19 2.25 0.01 2.72 2.02 -0.46 -4.56 118.70 120.49 2byt s GLU 185 Ca 0.02 -2.00 0.08 0.00 0.02 0.00 0.00 54.97 53.08 2byt s GLU 185 Cb -0.09 -1.97 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 2byt s GLU 185 CO 0.01 -0.37 -0.23 0.15 0.02 0.00 0.00 175.26 174.83 2byt s LYS 186 N -4.07 2.07 -0.04 1.61 1.02 -1.26 0.23 119.74 119.31 2byt s LYS 186 Ca 0.32 -0.96 -0.01 0.00 0.02 0.00 0.00 55.97 55.34 2byt s LYS 186 Cb 0.01 -2.10 0.03 0.00 -0.52 0.00 0.00 37.83 35.24 2byt s LYS 186 CO 0.19 0.55 0.08 1.03 -0.92 0.00 0.00 175.35 176.27 2byt s ARG 187 N -0.95 0.03 -0.41 1.68 0.52 -0.66 -4.90 118.95 114.26 2byt s ARG 187 Ca 0.11 0.22 -0.28 0.00 -0.52 0.00 0.00 55.73 55.27 2byt s ARG 187 Cb -0.10 -0.15 -0.03 0.00 0.52 0.00 0.00 34.95 35.19 2byt s ARG 187 CO 0.01 -0.12 1.95 -2.00 0.02 0.00 0.00 175.30 175.16 2byt s GLU 188 N 0.81 2.95 0.00 3.54 2.56 -1.26 -2.69 118.70 124.61 2byt s GLU 188 Ca -0.06 1.28 -0.09 0.00 0.00 0.00 0.00 54.97 56.10 2byt s GLU 188 Cb -0.09 -4.32 0.01 0.00 2.00 0.00 0.00 34.13 31.72 2byt s GLU 188 CO -0.03 -2.31 0.17 -0.51 -0.56 0.00 0.00 175.26 172.02 2byt s LEU 189 N 8.37 1.41 -0.47 2.70 1.43 -1.18 -4.99 118.68 125.96 2byt s LEU 189 Ca 0.81 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.61 2byt s LEU 189 Cb -0.20 0.80 0.07 0.00 0.03 0.00 0.00 46.19 46.89 2byt s LEU 189 CO 0.29 -0.40 0.38 -0.70 0.23 0.00 0.00 176.35 176.16 2byt s GLU 190 N -1.43 2.94 0.49 1.70 2.12 -1.26 -3.78 118.70 119.47 2byt s GLU 190 Ca -0.14 -1.37 0.04 0.00 0.36 0.00 0.00 54.97 53.86 2byt s GLU 190 Cb -0.07 -4.09 -0.02 0.00 0.26 0.00 0.00 34.13 30.21 2byt s GLU 190 CO 0.02 -1.02 0.14 -0.65 -0.54 0.00 0.00 175.26 173.20 2byt s GLN 191 N 1.62 2.19 0.03 4.30 -1.52 -0.94 -4.81 119.66 120.52 2byt s GLN 191 Ca 0.04 -2.16 -0.18 0.00 -1.95 0.00 0.00 55.36 51.11 2byt s GLN 191 Cb -0.24 -1.78 -0.06 0.00 -0.22 0.00 0.00 33.01 30.71 2byt s GLN 191 CO 0.06 -0.33 0.51 -1.58 -0.25 0.00 0.00 175.29 173.70 2byt s TRP 192 N -2.77 3.76 0.28 0.91 0.52 -1.26 -2.05 118.94 118.33 2byt s TRP 192 Ca 0.23 1.16 0.07 0.00 0.02 0.00 0.00 56.10 57.58 2byt s TRP 192 Cb 0.02 -2.44 -0.06 0.00 -1.15 0.00 0.00 33.47 29.85 2byt s TRP 192 CO 0.13 0.57 -0.07 0.71 0.02 0.00 0.00 176.95 178.31 2byt s TYR 193 N -0.94 1.99 -0.16 -1.98 1.51 0.32 -2.08 117.35 116.01 2byt s TYR 193 Ca 0.27 -0.66 0.01 0.00 -1.01 0.00 0.00 57.07 55.68 2byt s TYR 193 Cb -0.18 -1.11 0.02 0.00 -0.11 0.00 0.00 41.96 40.58 2byt s TYR 193 CO 0.17 0.33 -0.16 -0.51 -1.11 0.00 0.00 175.55 174.26 2byt s LEU 194 N -3.45 1.89 -0.79 -1.29 1.43 0.47 -1.53 118.68 115.41 2byt s LEU 194 Ca 0.29 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 2byt s LEU 194 Cb 0.03 -1.30 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 2byt s LEU 194 CO 0.12 -0.04 1.97 -1.14 0.23 0.00 0.00 176.35 177.49 2byt n ARG 195 N 4.71 1.81 0.24 1.70 0.63 0.85 -1.50 116.66 125.10 2byt n ARG 195 Ca -0.18 -1.32 0.08 0.00 -0.92 0.00 0.00 57.85 55.51 2byt n ARG 195 Cb 0.50 -2.38 0.59 0.00 0.45 0.00 0.00 32.46 31.61 2byt n ARG 195 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 2byt h ILE 196 N 3.50 0.91 -0.48 5.15 2.10 -1.91 -1.74 117.51 125.03 2byt h ILE 196 Ca 0.43 -0.64 0.12 0.00 1.08 0.00 0.00 64.86 65.84 2byt h ILE 196 Cb 0.15 1.37 -0.02 0.00 -1.09 0.00 0.00 36.82 37.22 2byt h ILE 196 CO 1.37 0.17 0.34 0.71 -1.08 0.00 0.00 178.15 179.66 2byt h THR 197 N 0.00 0.82 0.00 2.19 1.35 -1.87 0.21 112.91 115.61 2byt h THR 197 Ca -0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2byt h THR 197 Cb 0.35 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 2byt h THR 197 CO 0.02 0.02 0.32 0.00 -0.25 0.00 0.00 175.52 175.63 2byt h ALA 198 N 1.76 1.25 -0.15 6.62 0.00 -1.70 0.52 119.26 127.57 2byt h ALA 198 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2byt h ALA 198 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2byt h ALA 198 CO -0.03 -0.25 0.00 0.66 0.00 0.00 0.00 179.25 179.63 2byt n TYR 199 N -2.32 0.29 -0.18 0.00 4.02 0.74 -4.75 117.16 114.95 2byt n TYR 199 Ca -0.01 -0.64 -0.01 0.00 -0.01 0.00 0.00 57.90 57.23 2byt n TYR 199 Cb 0.34 -0.10 0.09 0.00 -0.02 0.00 0.00 39.34 39.65 2byt n TYR 199 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2byt h ALA 200 N 0.91 0.65 0.06 -0.72 0.00 0.03 0.16 119.26 120.34 2byt h ALA 200 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2byt h ALA 200 Cb 0.80 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2byt h ALA 200 CO 0.03 -0.29 -0.03 1.49 0.00 0.00 0.00 179.25 180.45 2byt h GLU 201 N 0.27 -0.07 -0.34 0.00 4.57 -1.85 -2.46 114.58 114.69 2byt h GLU 201 Ca 0.29 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.45 2byt h GLU 201 Cb 0.40 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2byt h GLU 201 CO -0.36 0.00 0.11 0.00 -1.18 0.00 0.00 179.01 177.59 2byt h ARG 202 N -0.13 0.52 -0.69 1.92 3.08 -1.82 0.19 114.38 117.46 2byt h ARG 202 Ca -0.01 -0.11 0.15 0.00 0.07 0.00 0.00 59.98 60.08 2byt h ARG 202 Cb 0.11 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 2byt h ARG 202 CO 0.01 0.55 0.47 -0.07 -1.07 0.00 0.00 179.97 179.86 2byt h LEU 203 N 0.40 0.26 0.11 3.04 3.38 -0.63 0.17 115.31 122.04 2byt h LEU 203 Ca 0.11 0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.76 2byt h LEU 203 Cb 0.24 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2byt h LEU 203 CO -0.00 0.14 -1.81 0.25 0.09 0.00 0.00 178.44 177.11 2byt h LEU 204 N 0.28 0.35 -0.54 1.67 5.85 -1.12 -3.37 115.31 118.43 2byt h LEU 204 Ca 0.33 -0.67 -0.16 0.00 0.84 0.00 0.00 57.88 58.22 2byt h LEU 204 Cb 0.91 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2byt h LEU 204 CO -0.08 1.59 -0.53 0.50 -0.34 0.00 0.00 178.44 179.58 2byt h LYS 205 N 0.06 0.55 -0.07 1.25 3.11 0.22 -3.09 116.57 118.60 2byt h LYS 205 Ca -0.35 -0.34 0.00 0.00 -2.81 0.00 0.00 60.65 57.16 2byt h LYS 205 Cb 2.04 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 33.30 2byt h LYS 205 CO 0.12 0.94 0.00 -0.25 -2.81 0.00 0.00 179.45 177.45 2byt n ASP 206 N -3.97 0.40 0.10 4.20 8.00 0.51 -3.52 116.55 122.27 2byt n ASP 206 Ca -0.03 -1.97 -0.21 0.00 0.71 0.00 0.00 54.79 53.29 2byt n ASP 206 Cb 0.59 -0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.49 2byt n ASP 206 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2byt h LEU 207 N 0.44 0.60 -0.74 0.64 3.38 -1.70 -3.38 115.31 114.55 2byt h LEU 207 Ca 0.00 -0.74 0.07 0.00 0.09 0.00 0.00 57.88 57.29 2byt h LEU 207 Cb 0.10 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 2byt h LEU 207 CO 0.00 1.60 -0.44 -0.62 0.09 0.00 0.00 178.44 179.08 2byt n GLU 208 N -3.58 -0.32 0.00 1.13 1.02 -1.23 -0.33 120.64 117.32 2byt n GLU 208 Ca -0.17 1.33 0.10 0.00 -0.02 0.00 0.00 57.16 58.39 2byt n GLU 208 Cb 1.07 -1.96 0.50 0.00 -0.02 0.00 0.00 31.44 31.03 2byt n GLU 208 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2byt n GLY 209 N -1.18 -1.09 3.74 0.62 0.00 -1.26 -4.81 105.19 101.20 2byt n GLY 209 Ca 0.01 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2byt n GLY 209 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2byt s LEU 210 N -2.76 4.39 -1.12 0.99 2.96 0.55 -4.94 118.68 118.76 2byt s LEU 210 Ca 0.16 2.54 -0.08 0.00 -0.22 0.00 0.00 54.13 56.53 2byt s LEU 210 Cb 0.14 -3.61 0.28 0.00 0.50 0.00 0.00 46.19 43.50 2byt s LEU 210 CO 0.35 -0.66 1.27 -3.20 -1.32 0.00 0.00 176.35 172.79 2byt n ASN 211 N 2.81 5.78 -4.71 3.68 5.15 -1.26 -4.99 115.26 121.72 2byt n ASN 211 Ca 0.08 -3.15 -0.28 0.00 -0.60 0.00 0.00 54.58 50.63 2byt n ASN 211 Cb 0.41 -1.36 -0.08 0.00 -0.53 0.00 0.00 39.78 38.22 2byt n ASN 211 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2byt s TRP 212 N -1.56 2.34 0.09 1.20 0.52 -1.26 -4.20 118.94 116.08 2byt s TRP 212 Ca 0.32 -0.71 -0.31 0.00 0.02 0.00 0.00 56.10 55.42 2byt s TRP 212 Cb -0.04 -1.82 -0.08 0.00 -1.15 0.00 0.00 33.47 30.38 2byt s TRP 212 CO -0.02 0.24 1.49 -2.14 0.02 0.00 0.00 176.95 176.54 2byt s PRO 213 N -3.86 4.26 0.56 4.98 0.02 -1.26 -4.82 135.00 134.89 2byt s PRO 213 Ca 0.31 2.16 0.35 0.00 0.02 0.00 0.00 61.00 63.84 2byt s PRO 213 Cb 0.05 -3.39 1.47 0.00 0.02 0.00 0.00 34.50 32.65 2byt s PRO 213 CO 0.17 -0.57 1.73 1.49 -0.33 0.00 0.00 177.00 179.49 2byt h GLU 214 N 7.39 0.00 -0.62 5.54 4.57 -1.98 0.21 114.58 129.68 2byt h GLU 214 Ca -0.41 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 57.67 2byt h GLU 214 Cb 1.20 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 2byt h GLU 214 CO 0.90 0.00 0.03 -0.22 -1.18 0.00 0.00 179.01 178.53 2byt h LYS 215 N 0.00 1.07 -0.00 1.92 3.64 -2.00 -2.75 116.57 118.45 2byt h LYS 215 Ca 0.51 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2byt h LYS 215 Cb 2.26 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.98 2byt h LYS 215 CO -0.01 1.03 -0.01 0.28 -2.27 0.00 0.00 179.45 178.47 2byt h VAL 216 N 0.99 1.56 -0.13 2.00 2.07 -0.96 -3.15 116.25 118.62 2byt h VAL 216 Ca 0.18 -1.66 0.05 0.00 0.82 0.00 0.00 66.70 66.08 2byt h VAL 216 Cb 0.53 2.69 -0.05 0.00 -1.52 0.00 0.00 31.29 32.93 2byt h VAL 216 CO 0.03 0.43 -0.20 0.11 0.02 0.00 0.00 177.57 177.96 2byt h LYS 217 N -0.69 -0.24 -0.84 1.57 1.57 -1.58 -0.41 116.57 115.94 2byt h LYS 217 Ca -0.00 0.02 0.23 0.00 -1.87 0.00 0.00 60.65 59.03 2byt h LYS 217 Cb 0.72 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 2byt h LYS 217 CO 0.00 -0.16 0.59 0.00 -0.57 0.00 0.00 179.45 179.31 2byt h ALA 218 N 0.75 2.69 0.00 3.86 0.00 -1.59 0.29 119.26 125.27 2byt h ALA 218 Ca 0.10 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 2byt h ALA 218 Cb 0.40 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2byt h ALA 218 CO -0.28 -0.93 -0.89 0.52 0.00 0.00 0.00 179.25 177.67 2byt h MET 219 N 0.07 0.22 0.07 0.00 2.86 -1.05 -2.24 114.93 114.86 2byt h MET 219 Ca 0.40 -0.25 -0.28 0.00 -2.06 0.00 0.00 59.70 57.52 2byt h MET 219 Cb 1.51 0.07 0.02 0.00 0.06 0.00 0.00 31.60 33.26 2byt h MET 219 CO -0.03 0.97 -1.14 1.96 1.06 0.00 0.00 176.91 179.73 2byt h GLN 220 N 0.12 0.56 -0.23 1.72 4.20 -0.02 -0.67 115.11 120.79 2byt h GLN 220 Ca -0.05 -0.70 0.04 0.00 0.06 0.00 0.00 58.65 58.00 2byt h GLN 220 Cb 1.52 0.22 -0.04 0.00 0.30 0.00 0.00 27.48 29.48 2byt h GLN 220 CO 0.14 1.30 -0.01 0.00 -0.67 0.00 0.00 178.83 179.59 2byt h ARG 221 N 0.27 0.06 -0.10 1.46 3.08 -0.66 0.17 114.38 118.68 2byt h ARG 221 Ca -0.15 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 2byt h ARG 221 Cb 1.81 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.83 2byt h ARG 221 CO 0.21 0.04 -0.35 0.00 -1.07 0.00 0.00 179.97 178.81 2byt h ALA 222 N 1.20 1.24 0.00 0.04 0.00 -1.38 -0.23 119.26 120.13 2byt h ALA 222 Ca 0.11 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 2byt h ALA 222 Cb 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2byt h ALA 222 CO -0.19 0.52 -0.84 2.35 0.00 0.00 0.00 179.25 181.09 2byt h TRP 223 N 0.17 0.19 0.11 0.00 2.91 -0.38 -3.07 115.95 115.88 2byt h TRP 223 Ca 0.02 -0.10 -0.27 0.00 1.13 0.00 0.00 58.89 59.67 2byt h TRP 223 Cb 0.70 -0.02 0.01 0.00 -0.51 0.00 0.00 29.16 29.33 2byt h TRP 223 CO 0.01 0.90 -1.18 0.82 -1.03 0.00 0.00 178.44 177.96 2byt h ILE 224 N 0.07 1.46 -6.49 2.65 2.04 -0.89 -3.16 117.51 113.18 2byt h ILE 224 Ca -0.03 -2.87 -0.41 0.00 1.00 0.00 0.00 64.86 62.55 2byt h ILE 224 Cb 1.46 2.82 0.02 0.00 -0.74 0.00 0.00 36.82 40.37 2byt h ILE 224 CO 0.12 0.84 -1.17 0.61 0.00 0.00 0.00 178.15 178.56 2byt n GLY 225 N 1.39 -0.09 3.79 5.37 0.00 -0.11 -1.21 105.19 114.33 2byt n GLY 225 Ca -0.09 1.03 -0.36 0.00 0.00 0.00 0.00 46.02 46.60 2byt n GLY 225 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2byt s ARG 226 N -2.86 4.16 -0.23 1.61 3.52 -1.26 -1.78 118.95 122.11 2byt s ARG 226 Ca 0.30 1.40 -0.08 0.00 -0.13 0.00 0.00 55.73 57.22 2byt s ARG 226 Cb -0.03 -2.44 0.10 0.00 -1.56 0.00 0.00 34.95 31.02 2byt s ARG 226 CO 0.86 -0.12 0.50 0.45 -0.81 0.00 0.00 175.30 176.17 2byt s SER 227 N -1.74 -0.56 0.14 -2.12 0.15 -1.04 -4.99 113.70 103.54 2byt s SER 227 Ca 0.59 1.18 -0.21 0.00 0.70 0.00 0.00 55.95 58.21 2byt s SER 227 Cb -0.19 1.60 -0.08 0.00 -1.71 0.00 0.00 66.02 65.65 2byt s SER 227 CO 0.23 -0.23 0.68 -1.61 1.20 0.00 0.00 173.24 173.52 2byt s GLU 228 N 2.58 4.34 0.00 5.44 2.02 -1.26 -2.52 118.70 129.30 2byt s GLU 228 Ca -0.04 0.91 0.00 0.00 0.02 0.00 0.00 54.97 55.87 2byt s GLU 228 Cb -0.11 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 30.96 2byt s GLU 228 CO -0.15 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.10 2byt n GLY 229 N 1.42 1.37 3.05 -1.39 0.00 0.01 -4.68 105.19 104.97 2byt n GLY 229 Ca -0.07 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 2byt n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2byt s ALA 230 N -1.00 0.69 -0.48 4.61 0.00 0.87 -0.59 121.76 125.85 2byt s ALA 230 Ca 0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 2byt s ALA 230 Cb 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 23.12 23.17 2byt s ALA 230 CO 0.00 0.09 0.36 -2.00 0.00 0.00 0.00 175.76 174.21 2byt s GLU 231 N -0.98 2.52 0.14 0.00 2.12 0.15 -0.60 118.70 122.05 2byt s GLU 231 Ca -0.03 -1.79 -0.07 0.00 0.36 0.00 0.00 54.97 53.44 2byt s GLU 231 Cb -0.07 -3.95 -0.06 0.00 0.26 0.00 0.00 34.13 30.32 2byt s GLU 231 CO 0.00 -1.20 0.40 0.42 -0.54 0.00 0.00 175.26 174.34 2byt s ILE 232 N 1.32 5.12 -0.19 -3.70 1.01 -0.19 -1.95 121.20 122.62 2byt s ILE 232 Ca 0.06 0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 2byt s ILE 232 Cb -0.26 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 2byt s ILE 232 CO -0.01 0.09 -0.02 -0.76 0.00 0.00 0.00 174.94 174.23 2byt s LEU 233 N -2.50 3.18 -0.27 2.97 1.43 0.25 -0.57 118.68 123.17 2byt s LEU 233 Ca 0.40 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 2byt s LEU 233 Cb -0.12 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2byt s LEU 233 CO 0.22 0.09 0.03 -0.36 0.23 0.00 0.00 176.35 176.57 2byt s PHE 234 N 0.84 3.09 0.42 0.29 0.40 0.54 -4.67 117.98 118.89 2byt s PHE 234 Ca -0.00 -0.98 -0.25 0.00 -0.60 0.00 0.00 56.93 55.09 2byt s PHE 234 Cb -0.14 -2.19 -0.08 0.00 0.51 0.00 0.00 43.02 41.11 2byt s PHE 234 CO 0.02 -0.57 1.20 -2.14 0.70 0.00 0.00 175.22 174.43 2byt s PRO 235 N 1.48 3.95 0.02 0.24 0.02 -1.25 -0.31 135.00 139.16 2byt s PRO 235 Ca 0.03 1.90 -0.18 0.00 0.02 0.00 0.00 61.00 62.77 2byt s PRO 235 Cb -0.16 -2.63 -0.06 0.00 0.02 0.00 0.00 34.50 31.67 2byt s PRO 235 CO 0.00 -0.42 0.52 0.08 -0.33 0.00 0.00 177.00 176.86 2byt s VAL 236 N -1.41 4.89 -0.00 3.83 1.01 -1.01 -0.05 120.40 127.66 2byt s VAL 236 Ca 0.59 1.10 -0.31 0.00 0.00 0.00 0.00 61.98 63.36 2byt s VAL 236 Cb -0.32 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 2byt s VAL 236 CO 0.40 0.51 1.96 1.21 0.00 0.00 0.00 175.10 179.18 2byt n GLU 237 N 2.15 2.66 0.00 2.72 2.13 -0.99 -2.84 120.64 126.47 2byt n GLU 237 Ca -0.10 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.69 2byt n GLU 237 Cb 0.51 -2.91 0.00 0.00 0.27 0.00 0.00 31.44 29.31 2byt n GLU 237 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2byt n GLY 238 N 4.55 1.55 3.55 8.31 0.00 -1.26 -4.88 105.19 117.01 2byt n GLY 238 Ca 0.21 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2byt n GLY 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2byt s LYS 239 N 0.00 -0.43 -0.10 1.61 -0.14 -1.13 -4.98 119.74 114.58 2byt s LYS 239 Ca 0.00 0.80 0.16 0.00 -1.36 0.00 0.00 55.97 55.56 2byt s LYS 239 Cb 0.00 -1.61 -0.23 0.00 -1.68 0.00 0.00 37.83 34.30 2byt s LYS 239 CO 0.00 -3.38 0.43 0.39 -0.76 0.00 0.00 175.35 172.03 2byt n GLU 240 N -4.67 0.65 -1.91 1.68 4.71 -1.26 -4.62 120.64 115.23 2byt n GLU 240 Ca 0.04 0.15 -0.34 0.00 -0.01 0.00 0.00 57.16 57.00 2byt n GLU 240 Cb 0.55 -1.68 0.04 0.00 -1.01 0.00 0.00 31.44 29.34 2byt n GLU 240 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2byt s VAL 241 N -2.62 3.11 -0.00 2.62 0.11 -1.26 -4.89 120.40 117.47 2byt s VAL 241 Ca -0.07 0.58 0.07 0.00 -2.93 0.00 0.00 61.98 59.64 2byt s VAL 241 Cb 0.07 -3.14 -0.02 0.00 -1.53 0.00 0.00 36.38 31.77 2byt s VAL 241 CO 0.83 -0.26 -0.22 -0.13 -3.33 0.00 0.00 175.10 171.99 2byt s ARG 242 N -3.78 1.75 -0.30 1.54 0.52 -1.26 -2.41 118.95 115.01 2byt s ARG 242 Ca 0.70 -0.85 -0.11 0.00 -0.52 0.00 0.00 55.73 54.95 2byt s ARG 242 Cb -0.23 -1.73 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 2byt s ARG 242 CO 0.37 0.47 0.19 0.42 0.02 0.00 0.00 175.30 176.76 2byt s ILE 243 N -0.59 5.16 -0.01 1.52 1.01 0.58 -4.87 121.20 123.99 2byt s ILE 243 Ca 0.09 -0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.49 2byt s ILE 243 Cb -0.09 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 2byt s ILE 243 CO -0.00 0.17 0.69 -2.84 0.00 0.00 0.00 174.94 172.96 2byt s PRO 244 N 1.72 4.42 0.06 2.79 0.02 -1.26 -0.34 135.00 142.41 2byt s PRO 244 Ca 0.06 0.89 0.05 0.00 0.02 0.00 0.00 61.00 62.03 2byt s PRO 244 Cb -0.16 -3.39 -0.03 0.00 0.02 0.00 0.00 34.50 30.94 2byt s PRO 244 CO 0.10 0.23 -0.14 0.14 -0.33 0.00 0.00 177.00 176.99 2byt s VAL 245 N 0.23 1.12 0.09 3.83 -7.23 0.27 -4.45 120.40 114.26 2byt s VAL 245 Ca 0.36 -1.17 0.02 0.00 -1.81 0.00 0.00 61.98 59.37 2byt s VAL 245 Cb -0.19 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 2byt s VAL 245 CO 0.19 -0.12 0.19 0.12 -0.31 0.00 0.00 175.10 175.17 2byt s PHE 246 N -1.08 3.40 -0.28 2.82 5.36 -1.23 -1.02 117.98 125.94 2byt s PHE 246 Ca -0.00 0.15 -0.18 0.00 -0.96 0.00 0.00 56.93 55.94 2byt s PHE 246 Cb -0.09 -1.68 0.10 0.00 -0.34 0.00 0.00 43.02 41.00 2byt s PHE 246 CO 0.02 0.55 0.78 -0.08 -1.46 0.00 0.00 175.22 175.03 2byt s THR 247 N -1.56 0.00 -1.73 0.12 -1.32 0.23 -4.68 115.64 106.71 2byt s THR 247 Ca 0.33 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.95 2byt s THR 247 Cb -0.12 -1.00 0.44 0.00 -1.51 0.00 0.00 72.50 70.31 2byt s THR 247 CO 0.26 0.00 1.34 0.35 -2.21 0.00 0.00 174.62 174.36 2byt n THR 248 N 3.84 0.84 -2.99 5.08 -2.24 -1.26 -0.09 114.28 117.45 2byt n THR 248 Ca -0.18 -0.68 -0.14 0.00 -2.27 0.00 0.00 64.05 60.77 2byt n THR 248 Cb 0.58 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 2byt n THR 248 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2byt n ARG 249 N 0.80 1.03 0.25 -0.78 5.12 -1.26 -4.93 116.66 116.88 2byt n ARG 249 Ca 0.16 -3.16 0.17 0.00 -1.93 0.00 0.00 57.85 53.09 2byt n ARG 249 Cb 0.48 -1.47 0.83 0.00 -1.16 0.00 0.00 32.46 31.15 2byt n ARG 249 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2byt h PRO 250 N 2.96 0.00 -0.20 5.56 0.13 -1.93 -2.51 132.00 136.00 2byt h PRO 250 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2byt h PRO 250 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2byt h PRO 250 CO 0.45 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.82 2byt n ASP 251 N -2.72 0.20 0.00 1.44 5.75 -1.26 -1.67 116.55 118.30 2byt n ASP 251 Ca -0.01 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.65 2byt n ASP 251 Cb 0.13 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 2byt n ASP 251 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2byt n THR 252 N -0.24 0.29 -0.33 2.12 -2.24 -0.95 -4.83 114.28 108.11 2byt n THR 252 Ca 0.00 -0.38 0.26 0.00 -2.27 0.00 0.00 64.05 61.66 2byt n THR 252 Cb 0.05 1.05 0.50 0.00 -2.10 0.00 0.00 70.33 69.83 2byt n THR 252 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2byt h LEU 253 N 0.00 0.43 0.00 3.22 5.85 -1.50 1.87 115.31 125.18 2byt h LEU 253 Ca 0.00 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2byt h LEU 253 Cb 0.59 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2byt h LEU 253 CO 0.00 -0.22 0.00 0.49 -0.34 0.00 0.00 178.44 178.37 2byt n PHE 254 N -5.12 0.00 0.81 1.25 3.01 -1.26 -1.68 117.46 114.47 2byt n PHE 254 Ca 0.33 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.87 2byt n PHE 254 Cb 1.06 -0.17 -0.06 0.00 -0.01 0.00 0.00 39.48 40.30 2byt n PHE 254 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2byt n GLY 255 N -0.30 -0.39 3.64 1.37 0.00 0.64 -4.94 105.19 105.20 2byt n GLY 255 Ca 0.07 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 2byt n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2byt s ALA 256 N -2.41 3.35 -1.58 4.61 0.00 -0.67 -4.40 121.76 120.66 2byt s ALA 256 Ca 0.10 0.83 0.16 0.00 0.00 0.00 0.00 51.96 53.05 2byt s ALA 256 Cb 0.14 -3.86 0.04 0.00 0.00 0.00 0.00 23.12 19.44 2byt s ALA 256 CO 0.61 -1.84 0.88 0.25 0.00 0.00 0.00 175.76 175.66 2byt n THR 257 N 6.16 0.00 -3.60 0.00 -2.24 -0.69 -5.00 114.28 108.91 2byt n THR 257 Ca 0.20 -0.39 -0.03 0.00 -2.27 0.00 0.00 64.05 61.56 2byt n THR 257 Cb 0.44 1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.88 2byt n THR 257 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2byt s PHE 258 N -1.68 -0.13 0.18 4.78 -0.71 -1.25 -4.24 117.98 114.94 2byt s PHE 258 Ca 0.14 0.04 0.09 0.00 -1.04 0.00 0.00 56.93 56.17 2byt s PHE 258 Cb 0.13 0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 42.43 2byt s PHE 258 CO 0.33 -0.32 -0.13 -0.51 -1.34 0.00 0.00 175.22 173.25 2byt s LEU 259 N -2.50 2.84 -0.06 -1.99 1.43 -0.86 -0.22 118.68 117.32 2byt s LEU 259 Ca 0.10 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 2byt s LEU 259 Cb 0.01 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.70 2byt s LEU 259 CO -0.04 0.11 0.01 -0.69 0.23 0.00 0.00 176.35 175.97 2byt s VAL 260 N -1.66 0.28 0.16 -1.59 1.01 -0.90 -0.38 120.40 117.31 2byt s VAL 260 Ca 0.24 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 2byt s VAL 260 Cb -0.09 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2byt s VAL 260 CO 0.14 0.24 0.34 -0.76 0.00 0.00 0.00 175.10 175.06 2byt s LEU 261 N 1.98 4.27 0.25 3.92 1.43 -0.19 -2.24 118.68 128.10 2byt s LEU 261 Ca 0.05 0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 2byt s LEU 261 Cb -0.12 -3.12 -0.09 0.00 0.03 0.00 0.00 46.19 42.89 2byt s LEU 261 CO -0.05 0.02 1.11 0.00 0.23 0.00 0.00 176.35 177.66 2byt s ALA 262 N -1.76 3.41 0.28 4.21 0.00 0.26 -2.91 121.76 125.25 2byt s ALA 262 Ca 0.38 0.89 -0.07 0.00 0.00 0.00 0.00 51.96 53.16 2byt s ALA 262 Cb -0.11 -3.34 0.50 0.00 0.00 0.00 0.00 23.12 20.17 2byt s ALA 262 CO 0.28 -0.19 1.56 -1.35 0.00 0.00 0.00 175.76 176.06 2byt h PRO 263 N 4.16 0.00 0.00 0.00 0.11 -1.82 1.53 132.00 135.98 2byt h PRO 263 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2byt h PRO 263 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2byt h PRO 263 CO 0.68 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.87 2byt n GLU 264 N -5.60 0.77 -1.98 1.05 4.71 -1.26 -4.79 120.64 113.55 2byt n GLU 264 Ca 0.17 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.91 2byt n GLU 264 Cb 0.54 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.45 2byt n GLU 264 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 2byt s HIS 265 N -2.05 2.88 0.12 -0.32 2.46 0.52 -4.92 115.29 113.98 2byt s HIS 265 Ca 0.38 1.23 -0.24 0.00 0.47 0.00 0.00 55.06 56.90 2byt s HIS 265 Cb 0.18 -3.84 -0.04 0.00 -0.13 0.00 0.00 32.58 28.75 2byt s HIS 265 CO 0.31 -2.46 1.66 -1.35 -2.47 0.00 0.00 174.74 170.42 2byt h PRO 266 N 3.64 -0.28 0.00 2.88 0.11 -1.87 -2.23 132.00 134.25 2byt h PRO 266 Ca -0.49 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2byt h PRO 266 Cb 1.23 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2byt h PRO 266 CO 0.68 -0.18 0.00 1.28 -0.21 0.00 0.00 178.00 179.57 2byt n LEU 267 N -5.33 0.00 0.22 2.35 4.77 -1.26 -2.36 117.00 115.39 2byt n LEU 267 Ca -0.04 0.15 0.09 0.00 -0.03 0.00 0.00 56.01 56.18 2byt n LEU 267 Cb 0.24 -0.15 0.47 0.00 -2.33 0.00 0.00 43.42 41.65 2byt n LEU 267 CO 0.23 -0.11 0.79 0.74 -1.33 0.00 0.00 177.39 177.71 2byt h THR 268 N 0.00 0.71 0.00 -5.08 2.02 -1.70 -2.80 112.91 106.07 2byt h THR 268 Ca 0.00 -1.13 -0.12 0.00 0.77 0.00 0.00 66.41 65.93 2byt h THR 268 Cb 0.04 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2byt h THR 268 CO 0.00 0.26 -1.46 0.18 0.37 0.00 0.00 175.52 174.87 2byt n LEU 269 N -3.54 0.16 0.05 2.58 4.77 -0.99 -3.68 117.00 116.34 2byt n LEU 269 Ca -0.01 -0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.06 2byt n LEU 269 Cb 0.41 0.14 0.39 0.00 -2.33 0.00 0.00 43.42 42.03 2byt n LEU 269 CO 0.34 0.19 0.79 1.21 -1.33 0.00 0.00 177.39 178.58 2byt n GLU 270 N -2.27 0.08 -0.01 3.23 2.13 -1.12 -2.87 120.64 119.81 2byt n GLU 270 Ca -0.11 0.32 0.01 0.00 0.66 0.00 0.00 57.16 58.04 2byt n GLU 270 Cb 0.71 -1.65 -0.04 0.00 0.27 0.00 0.00 31.44 30.73 2byt n GLU 270 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2byt n LEU 271 N -1.81 0.00 -4.69 4.31 4.77 -1.05 -5.02 117.00 113.50 2byt n LEU 271 Ca 0.03 0.00 -0.53 0.00 -0.03 0.00 0.00 56.01 55.48 2byt n LEU 271 Cb 0.20 0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 2byt n LEU 271 CO 0.16 0.04 1.41 0.00 -1.33 0.00 0.00 177.39 177.67 2byt n ALA 272 N -1.85 0.38 -1.78 -1.18 0.00 -1.14 -4.66 120.51 110.29 2byt n ALA 272 Ca -0.03 0.33 -0.41 0.00 0.00 0.00 0.00 53.44 53.33 2byt n ALA 272 Cb 0.31 -2.37 -0.00 0.00 0.00 0.00 0.00 19.45 17.39 2byt n ALA 272 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2byt s ALA 273 N 3.78 3.60 0.63 0.00 0.00 -0.37 -4.62 121.76 124.78 2byt s ALA 273 Ca 0.95 1.57 0.28 0.00 0.00 0.00 0.00 51.96 54.75 2byt s ALA 273 Cb -0.87 -3.61 1.46 0.00 0.00 0.00 0.00 23.12 20.10 2byt s ALA 273 CO 0.58 -1.03 1.85 -1.35 0.00 0.00 0.00 175.76 175.80 2byt h PRO 274 N 3.37 0.00 0.00 0.00 0.11 -1.92 0.85 132.00 134.41 2byt h PRO 274 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2byt h PRO 274 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2byt h PRO 274 CO 0.67 0.00 -0.66 0.39 -0.21 0.00 0.00 178.00 178.19 2byt n GLU 275 N -3.20 0.21 -0.04 1.05 4.71 -1.26 -3.95 120.64 118.16 2byt n GLU 275 Ca 0.03 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 2byt n GLU 275 Cb 0.55 -1.61 -0.11 0.00 -1.01 0.00 0.00 31.44 29.26 2byt n GLU 275 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2byt n LYS 276 N -1.90 1.11 -0.35 3.49 4.76 0.24 -4.70 118.16 120.81 2byt n LYS 276 Ca 0.04 -0.07 -0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2byt n LYS 276 Cb 0.41 -1.34 0.05 0.00 -1.84 0.00 0.00 35.03 32.31 2byt n LYS 276 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2byt h ARG 277 N 0.00 -0.02 0.00 1.97 9.65 -0.00 0.31 114.38 126.29 2byt h ARG 277 Ca -0.18 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 2byt h ARG 277 Cb 1.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 2byt h ARG 277 CO 0.01 -0.01 0.03 -1.91 2.80 0.00 0.00 179.97 180.88 2byt n GLU 278 N -5.49 0.00 -0.02 0.20 2.13 -1.26 -1.02 120.64 115.17 2byt n GLU 278 Ca 0.10 0.19 -0.03 0.00 0.66 0.00 0.00 57.16 58.09 2byt n GLU 278 Cb 0.41 -1.53 -0.02 0.00 0.27 0.00 0.00 31.44 30.57 2byt n GLU 278 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2byt n GLU 279 N -1.16 0.81 -0.05 5.31 2.13 0.99 -4.30 120.64 124.36 2byt n GLU 279 Ca 0.00 0.02 -0.12 0.00 0.66 0.00 0.00 57.16 57.72 2byt n GLU 279 Cb 0.03 -1.08 -0.06 0.00 0.27 0.00 0.00 31.44 30.59 2byt n GLU 279 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2byt h VAL 280 N 0.00 1.25 0.00 6.31 2.07 -0.45 -1.75 116.25 123.69 2byt h VAL 280 Ca -0.09 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 2byt h VAL 280 Cb 1.15 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2byt h VAL 280 CO -0.01 0.25 -0.23 0.25 0.02 0.00 0.00 177.57 177.84 2byt h LEU 281 N 0.04 0.00 0.00 2.57 6.46 -1.34 -1.95 115.31 121.08 2byt h LEU 281 Ca 0.05 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 2byt h LEU 281 Cb 0.37 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 2byt h LEU 281 CO 0.01 0.23 -0.21 0.00 -0.62 0.00 0.00 178.44 177.85 2byt h ALA 282 N 1.77 0.87 0.15 1.25 0.00 -1.69 -3.11 119.26 118.49 2byt h ALA 282 Ca -0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 54.45 2byt h ALA 282 Cb 0.51 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2byt h ALA 282 CO 0.03 0.24 -1.29 -0.92 0.00 0.00 0.00 179.25 177.31 2byt h TYR 283 N 0.00 0.57 0.10 0.00 5.03 -0.59 -3.14 116.97 118.94 2byt h TYR 283 Ca -0.00 -0.41 -0.01 0.00 2.58 0.00 0.00 58.73 60.89 2byt h TYR 283 Cb 1.15 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.41 2byt h TYR 283 CO 0.00 1.33 -0.05 0.28 -1.32 0.00 0.00 178.16 178.40 2byt h VAL 284 N 0.08 1.02 0.00 1.81 2.07 -1.46 -1.56 116.25 118.21 2byt h VAL 284 Ca -0.16 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2byt h VAL 284 Cb 2.01 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 2byt h VAL 284 CO 0.21 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 177.29 2byt n GLU 285 N -5.06 0.09 -0.08 1.57 1.02 -1.18 -0.66 120.64 116.35 2byt n GLU 285 Ca -0.08 0.23 -0.17 0.00 -0.02 0.00 0.00 57.16 57.11 2byt n GLU 285 Cb 0.16 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.95 2byt n GLU 285 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2byt n ALA 286 N -1.29 1.29 0.03 0.62 0.00 -0.86 -3.81 120.51 116.50 2byt n ALA 286 Ca 0.03 -0.97 -0.20 0.00 0.00 0.00 0.00 53.44 52.30 2byt n ALA 286 Cb 0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 19.45 19.08 2byt n ALA 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2byt h ALA 287 N 0.20 0.15 -0.36 0.00 0.00 -0.33 -2.31 119.26 116.61 2byt h ALA 287 Ca -0.51 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 53.69 2byt h ALA 287 Cb 1.99 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.81 2byt h ALA 287 CO -0.02 0.66 0.11 -0.22 0.00 0.00 0.00 179.25 179.78 2byt h LYS 288 N 0.39 0.52 0.00 0.00 3.64 -1.10 -2.74 116.57 117.28 2byt h LYS 288 Ca -0.12 -0.08 -0.20 0.00 -1.27 0.00 0.00 60.65 58.99 2byt h LYS 288 Cb 1.64 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.33 2byt h LYS 288 CO 0.19 0.47 -0.98 -0.09 -2.27 0.00 0.00 179.45 176.77 2byt h ARG 289 N 0.52 0.00 -7.28 1.90 2.43 -1.65 -3.39 114.38 106.91 2byt h ARG 289 Ca 0.12 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.83 2byt h ARG 289 Cb 0.17 0.00 0.17 0.00 -0.42 0.00 0.00 29.97 29.90 2byt h ARG 289 CO -0.01 0.85 0.16 0.21 -1.51 0.00 0.00 179.97 179.68 2byt s LYS 290 N -2.75 0.41 0.21 0.20 2.20 -0.87 -4.95 119.74 114.19 2byt s LYS 290 Ca 0.01 0.86 0.03 0.00 -0.36 0.00 0.00 55.97 56.51 2byt s LYS 290 Cb 0.09 -1.71 -0.01 0.00 -1.51 0.00 0.00 37.83 34.70 2byt s LYS 290 CO 0.81 -2.84 0.10 0.25 -0.36 0.00 0.00 175.35 173.31 2byt n THR 291 N -4.30 0.00 -0.05 3.43 -2.24 -1.26 -4.82 114.28 105.03 2byt n THR 291 Ca 0.06 -1.31 -0.12 0.00 -2.27 0.00 0.00 64.05 60.41 2byt n THR 291 Cb 0.55 0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 2byt n THR 291 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2byt h GLU 292 N 0.00 0.30 0.00 -0.78 4.39 -1.85 0.15 114.58 116.78 2byt h GLU 292 Ca -0.16 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 2byt h GLU 292 Cb 0.66 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2byt h GLU 292 CO 0.25 0.56 -0.17 0.82 -1.16 0.00 0.00 179.01 179.30 2byt h ILE 293 N 0.01 0.76 0.12 3.13 2.04 -1.87 -1.78 117.51 119.92 2byt h ILE 293 Ca 0.04 -0.70 -0.17 0.00 1.00 0.00 0.00 64.86 65.04 2byt h ILE 293 Cb 0.44 1.42 0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2byt h ILE 293 CO 0.01 0.17 -0.76 -0.33 0.00 0.00 0.00 178.15 177.24 2byt h GLU 294 N 0.00 0.25 -0.33 2.37 5.08 -1.92 -3.16 114.58 116.86 2byt h GLU 294 Ca -0.00 -0.42 0.03 0.00 -1.00 0.00 0.00 59.36 57.96 2byt h GLU 294 Cb 0.41 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2byt h GLU 294 CO 0.02 1.20 0.16 0.00 -1.00 0.00 0.00 179.01 179.39 2byt h ARG 295 N -0.47 0.32 0.00 2.33 3.08 -0.50 0.45 114.38 119.59 2byt h ARG 295 Ca -0.14 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2byt h ARG 295 Cb 1.56 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.53 2byt h ARG 295 CO 0.12 0.21 0.00 1.04 -1.07 0.00 0.00 179.97 180.27 2byt n GLN 296 N -4.96 0.19 0.02 0.04 1.13 -0.69 -1.84 117.38 111.29 2byt n GLN 296 Ca 0.00 0.16 -0.02 0.00 -1.94 0.00 0.00 57.00 55.19 2byt n GLN 296 Cb 0.09 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 28.84 2byt n GLN 296 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2byt h ALA 297 N 2.63 0.68 0.00 -1.58 0.00 -0.87 -3.33 119.26 116.78 2byt h ALA 297 Ca 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 54.91 53.83 2byt h ALA 297 Cb 0.12 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2byt h ALA 297 CO 0.00 1.08 -0.54 0.93 0.00 0.00 0.00 179.25 180.72 2byt h GLU 298 N 0.00 0.00 0.00 0.00 5.08 -1.13 -3.50 114.58 115.03 2byt h GLU 298 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2byt h GLU 298 Cb 1.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.94 2byt h GLU 298 CO 0.06 0.42 0.00 0.41 -1.00 0.00 0.00 179.01 178.90 2byt n GLY 299 N 1.23 0.56 1.69 -3.84 0.00 -1.20 -4.08 105.19 99.56 2byt n GLY 299 Ca 0.01 -1.41 0.08 0.00 0.00 0.00 0.00 46.02 44.70 2byt n GLY 299 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2byt n ARG 300 N 3.48 4.45 -1.91 1.61 1.85 -1.26 -4.84 116.66 120.04 2byt n ARG 300 Ca 0.00 -3.08 -0.43 0.00 -1.00 0.00 0.00 57.85 53.34 2byt n ARG 300 Cb 0.00 -2.15 -0.03 0.00 -1.05 0.00 0.00 32.46 29.23 2byt n ARG 300 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2byt s GLU 301 N -2.65 3.51 0.27 2.89 0.41 -1.26 -4.95 118.70 116.92 2byt s GLU 301 Ca 0.52 1.76 -0.29 0.00 -0.41 0.00 0.00 54.97 56.55 2byt s GLU 301 Cb 0.39 -4.19 -0.10 0.00 -1.78 0.00 0.00 34.13 28.46 2byt s GLU 301 CO 0.16 -1.65 1.27 0.15 -0.49 0.00 0.00 175.26 174.69 2byt s LYS 302 N 5.40 4.43 -0.16 1.61 3.01 -1.26 -5.03 119.74 127.73 2byt s LYS 302 Ca 0.83 2.07 -0.07 0.00 -1.01 0.00 0.00 55.97 57.80 2byt s LYS 302 Cb -0.28 -3.14 0.07 0.00 -1.01 0.00 0.00 37.83 33.48 2byt s LYS 302 CO 0.33 -0.13 0.36 0.99 0.51 0.00 0.00 175.35 177.41 2byt s THR 303 N -0.69 -0.38 0.11 2.17 2.01 -1.26 -5.06 115.64 112.54 2byt s THR 303 Ca 0.51 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.67 2byt s THR 303 Cb -0.37 -0.57 0.01 0.00 0.01 0.00 0.00 72.50 71.58 2byt s THR 303 CO 0.45 0.07 0.17 0.61 -0.69 0.00 0.00 174.62 175.24 2byt n GLY 304 N 5.01 2.48 3.10 4.40 0.00 -1.26 -3.32 105.19 115.58 2byt n GLY 304 Ca -0.13 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 2byt n GLY 304 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2byt s VAL 305 N -2.61 0.08 -0.09 1.61 1.01 -0.32 -4.97 120.40 115.11 2byt s VAL 305 Ca 0.07 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.16 2byt s VAL 305 Cb -0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 2byt s VAL 305 CO 0.05 -0.36 0.75 0.12 0.00 0.00 0.00 175.10 175.66 2byt s PHE 306 N -1.28 3.54 -1.00 5.22 5.36 -1.26 -0.38 117.98 128.19 2byt s PHE 306 Ca -0.14 1.27 0.20 0.00 -0.96 0.00 0.00 56.93 57.30 2byt s PHE 306 Cb -0.07 -2.87 0.84 0.00 -0.34 0.00 0.00 43.02 40.58 2byt s PHE 306 CO 0.01 0.00 1.63 1.28 -1.46 0.00 0.00 175.22 176.69 2byt n LEU 307 N 4.13 0.00 -1.43 6.12 4.77 -0.32 -4.90 117.00 125.38 2byt n LEU 307 Ca 0.00 0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 56.36 2byt n LEU 307 Cb 0.51 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 2byt n LEU 307 CO 0.48 -0.16 -0.16 0.61 -1.33 0.00 0.00 177.39 176.83 2byt n GLY 308 N 0.54 -0.15 3.15 -0.72 0.00 -1.26 -1.24 105.19 105.51 2byt n GLY 308 Ca 0.05 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 2byt n GLY 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2byt s ALA 309 N -2.63 0.85 0.31 4.61 0.00 -1.26 -4.34 121.76 119.29 2byt s ALA 309 Ca 0.00 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 50.62 2byt s ALA 309 Cb -0.00 0.57 -0.06 0.00 0.00 0.00 0.00 23.12 23.62 2byt s ALA 309 CO 0.00 -0.40 -0.01 0.71 0.00 0.00 0.00 175.76 176.06 2byt s TYR 310 N -3.91 2.02 0.26 0.00 1.51 -1.26 -2.17 117.35 113.80 2byt s TYR 310 Ca 0.18 -0.78 0.01 0.00 -1.01 0.00 0.00 57.07 55.47 2byt s TYR 310 Cb 0.07 -1.24 -0.05 0.00 -0.11 0.00 0.00 41.96 40.63 2byt s TYR 310 CO -0.02 0.21 0.10 0.00 -1.11 0.00 0.00 175.55 174.74 2byt s ALA 311 N -3.07 1.70 -0.24 3.71 0.00 -0.76 -2.35 121.76 120.75 2byt s ALA 311 Ca 0.32 -1.84 -0.03 0.00 0.00 0.00 0.00 51.96 50.41 2byt s ALA 311 Cb 0.06 1.09 0.01 0.00 0.00 0.00 0.00 23.12 24.28 2byt s ALA 311 CO 0.14 -0.47 -0.04 -0.51 0.00 0.00 0.00 175.76 174.87 2byt s LEU 312 N -3.31 3.11 -0.30 0.00 2.01 0.93 -1.74 118.68 119.38 2byt s LEU 312 Ca 0.38 -0.66 -0.28 0.00 0.01 0.00 0.00 54.13 53.58 2byt s LEU 312 Cb 0.08 -1.71 -0.03 0.00 0.01 0.00 0.00 46.19 44.53 2byt s LEU 312 CO 0.14 -0.09 1.98 0.21 1.01 0.00 0.00 176.35 179.60 2byt s ASN 313 N 1.40 5.65 0.00 2.29 3.84 0.46 -3.86 114.94 124.73 2byt s ASN 313 Ca 0.03 1.49 0.02 0.00 0.21 0.00 0.00 52.86 54.61 2byt s ASN 313 Cb -0.16 -2.52 0.15 0.00 -0.55 0.00 0.00 41.25 38.17 2byt s ASN 313 CO -0.04 -1.87 0.54 -0.81 -2.79 0.00 0.00 177.10 172.14 2byt n PRO 314 N 8.60 0.10 -0.02 0.43 -0.04 -1.26 0.22 135.00 143.03 2byt n PRO 314 Ca 0.26 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.70 2byt n PRO 314 Cb 0.46 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 2byt n PRO 314 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2byt n ALA 315 N -0.88 0.22 0.12 0.55 0.00 -1.26 -4.67 120.51 114.58 2byt n ALA 315 Ca 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.07 2byt n ALA 315 Cb 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 2byt n ALA 315 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2byt h THR 316 N -0.26 1.16 0.00 0.00 1.35 -1.90 -3.48 112.91 109.79 2byt h THR 316 Ca 0.00 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 2byt h THR 316 Cb 0.25 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 2byt h THR 316 CO 0.00 0.65 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 2byt n GLY 317 N 1.20 3.15 3.62 5.82 0.00 0.13 -5.03 105.19 114.08 2byt n GLY 317 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2byt n GLY 317 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2byt s GLU 318 N -0.76 -0.80 0.10 1.61 -1.05 -1.26 -4.39 118.70 112.15 2byt s GLU 318 Ca 0.00 0.08 -0.07 0.00 -0.15 0.00 0.00 54.97 54.82 2byt s GLU 318 Cb 0.00 -1.63 -0.06 0.00 -0.44 0.00 0.00 34.13 32.00 2byt s GLU 318 CO 0.00 -3.46 0.37 1.03 0.95 0.00 0.00 175.26 174.15 2byt s ARG 319 N -5.29 3.67 -0.05 -4.83 0.52 -1.26 -0.40 118.95 111.31 2byt s ARG 319 Ca 0.69 0.03 -0.02 0.00 -0.52 0.00 0.00 55.73 55.91 2byt s ARG 319 Cb -0.12 -2.94 0.04 0.00 0.52 0.00 0.00 34.95 32.44 2byt s ARG 319 CO 0.56 0.53 0.09 0.96 0.02 0.00 0.00 175.30 177.47 2byt s ILE 320 N -1.50 -0.07 0.79 1.52 -4.36 -0.71 -4.91 121.20 111.96 2byt s ILE 320 Ca 0.36 0.22 -0.15 0.00 -0.26 0.00 0.00 60.65 60.83 2byt s ILE 320 Cb -0.13 -0.17 0.02 0.00 1.25 0.00 0.00 42.46 43.42 2byt s ILE 320 CO 0.20 0.09 0.76 -0.81 0.24 0.00 0.00 174.94 175.43 2byt n PRO 321 N 4.35 0.18 -4.02 0.37 -0.04 -1.26 -1.82 135.00 132.76 2byt n PRO 321 Ca -0.24 0.12 -0.34 0.00 -0.04 0.00 0.00 63.50 62.99 2byt n PRO 321 Cb 0.51 -2.07 -0.15 0.00 -0.04 0.00 0.00 33.50 31.75 2byt n PRO 321 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2byt s ILE 322 N -2.06 2.68 0.54 0.52 1.01 -0.92 -2.03 121.20 120.93 2byt s ILE 322 Ca 0.67 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 60.60 2byt s ILE 322 Cb -0.30 -2.20 0.03 0.00 0.01 0.00 0.00 42.46 40.00 2byt s ILE 322 CO 0.57 0.45 0.33 0.26 0.00 0.00 0.00 174.94 176.55 2byt s TRP 323 N 1.37 1.66 -0.16 3.97 0.52 0.48 -1.17 118.94 125.62 2byt s TRP 323 Ca 0.05 -0.86 -0.04 0.00 0.02 0.00 0.00 56.10 55.26 2byt s TRP 323 Cb -0.14 -1.86 0.06 0.00 -1.15 0.00 0.00 33.47 30.38 2byt s TRP 323 CO -0.08 -0.35 0.10 -0.08 0.02 0.00 0.00 176.95 176.56 2byt s THR 324 N -2.79 -0.13 0.24 2.01 -1.32 0.49 -1.03 115.64 113.12 2byt s THR 324 Ca 0.29 -0.07 0.09 0.00 -1.21 0.00 0.00 61.69 60.79 2byt s THR 324 Cb -0.02 -0.53 -0.05 0.00 -1.51 0.00 0.00 72.50 70.40 2byt s THR 324 CO 0.18 -0.20 -0.15 0.00 -2.21 0.00 0.00 174.62 172.23 2byt s ALA 325 N 2.17 2.33 -0.90 11.08 0.00 -1.15 -1.18 121.76 134.12 2byt s ALA 325 Ca 0.03 -1.78 0.26 0.00 0.00 0.00 0.00 51.96 50.47 2byt s ALA 325 Cb -0.15 -0.11 0.73 0.00 0.00 0.00 0.00 23.12 23.58 2byt s ALA 325 CO -0.09 0.12 1.59 -0.40 0.00 0.00 0.00 175.76 176.98 2byt n ASP 326 N -0.50 0.43 0.00 0.00 5.68 -1.21 -3.60 116.55 117.34 2byt n ASP 326 Ca -0.07 0.14 0.11 0.00 -0.50 0.00 0.00 54.79 54.48 2byt n ASP 326 Cb 0.61 -0.11 0.58 0.00 -1.14 0.00 0.00 41.12 41.06 2byt n ASP 326 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2byt n TYR 327 N -1.71 0.00 -4.50 2.11 0.18 -1.26 -4.54 117.16 107.44 2byt n TYR 327 Ca 0.05 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.50 2byt n TYR 327 Cb 0.37 -0.24 -0.12 0.00 -0.38 0.00 0.00 39.34 38.97 2byt n TYR 327 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 2byt s VAL 328 N -2.48 3.72 -0.12 -3.48 1.01 -1.24 -5.10 120.40 112.71 2byt s VAL 328 Ca 0.23 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 2byt s VAL 328 Cb 0.15 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2byt s VAL 328 CO 0.33 0.51 0.23 -0.76 0.00 0.00 0.00 175.10 175.41 2byt s LEU 329 N 0.22 4.33 0.12 3.92 1.43 -1.26 -4.60 118.68 122.84 2byt s LEU 329 Ca -0.04 0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 53.57 2byt s LEU 329 Cb -0.14 -2.26 -0.12 0.00 0.03 0.00 0.00 46.19 43.70 2byt s LEU 329 CO 0.03 0.27 1.28 0.15 0.23 0.00 0.00 176.35 178.31 2byt h PHE 330 N 5.70 0.52 0.00 0.29 3.57 -1.93 -3.23 116.94 121.86 2byt h PHE 330 Ca -0.48 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 60.72 2byt h PHE 330 Cb 1.20 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.88 2byt h PHE 330 CO 0.67 1.14 0.00 0.41 -2.23 0.00 0.00 178.31 178.31 2byt n GLY 331 N 1.06 0.90 3.09 2.40 0.00 -1.26 -4.05 105.19 107.34 2byt n GLY 331 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 2byt n GLY 331 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2byt s TYR 332 N -0.81 -0.34 0.00 1.61 6.14 -1.22 -4.94 117.35 117.79 2byt s TYR 332 Ca 0.00 0.81 0.00 0.00 0.64 0.00 0.00 57.07 58.52 2byt s TYR 332 Cb 0.00 0.08 0.00 0.00 0.42 0.00 0.00 41.96 42.46 2byt s TYR 332 CO 0.00 -0.22 0.00 0.41 0.64 0.00 0.00 175.55 176.38 2byt n GLY 333 N 3.96 0.98 0.00 8.97 0.00 -1.26 -1.61 105.19 116.23 2byt n GLY 333 Ca -0.22 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2byt n GLY 333 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2byt n THR 334 N 0.00 0.00 -0.93 2.61 -2.24 -1.26 -4.97 114.28 107.49 2byt n THR 334 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2byt n THR 334 Cb 0.00 1.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 2byt n THR 334 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2byt n GLY 335 N 0.08 0.40 3.08 3.38 0.00 -0.63 -4.94 105.19 106.56 2byt n GLY 335 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2byt n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2byt s ALA 336 N -2.01 0.59 0.06 4.61 0.00 -1.26 -0.57 121.76 123.17 2byt s ALA 336 Ca 0.00 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 2byt s ALA 336 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 2byt s ALA 336 CO 0.00 -0.12 0.13 0.96 0.00 0.00 0.00 175.76 176.73 2byt s ILE 337 N -2.12 0.15 -0.62 0.00 -4.36 -0.95 -3.54 121.20 109.76 2byt s ILE 337 Ca -0.05 -1.22 -0.11 0.00 -0.26 0.00 0.00 60.65 59.01 2byt s ILE 337 Cb -0.05 -1.18 0.16 0.00 1.25 0.00 0.00 42.46 42.64 2byt s ILE 337 CO -0.02 -0.68 0.53 0.00 0.24 0.00 0.00 174.94 175.02 2byt s MET 338 N -3.33 2.97 0.19 0.37 0.23 -1.26 -2.13 119.30 116.34 2byt s MET 338 Ca 0.01 -2.09 -0.33 0.00 -1.03 0.00 0.00 55.69 52.26 2byt s MET 338 Cb 0.03 -4.15 -0.13 0.00 -1.53 0.00 0.00 34.83 29.04 2byt s MET 338 CO -0.08 -1.26 1.56 0.00 -2.03 0.00 0.00 175.02 173.22 2byt n ALA 339 N 4.49 1.55 -3.18 3.16 0.00 0.70 -4.83 120.51 122.40 2byt n ALA 339 Ca -0.00 0.43 -0.23 0.00 0.00 0.00 0.00 53.44 53.64 2byt n ALA 339 Cb 0.42 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.46 2byt n ALA 339 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2byt n VAL 340 N 3.12 0.56 -0.46 0.00 0.31 -1.26 -1.71 118.33 118.90 2byt n VAL 340 Ca 0.15 -4.67 0.36 0.00 -0.01 0.00 0.00 64.34 60.17 2byt n VAL 340 Cb 0.30 -1.22 0.56 0.00 -0.91 0.00 0.00 33.84 32.58 2byt n VAL 340 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2byt n PRO 341 N 0.61 -0.01 0.27 5.55 -0.02 -1.26 0.11 135.00 140.25 2byt n PRO 341 Ca 0.25 0.84 0.16 0.00 -2.02 0.00 0.00 63.50 62.73 2byt n PRO 341 Cb 0.54 -1.83 0.70 0.00 -0.02 0.00 0.00 33.50 32.89 2byt n PRO 341 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2byt h ALA 342 N 0.90 1.05 -0.82 3.55 0.00 -1.88 -3.27 119.26 118.78 2byt h ALA 342 Ca 0.68 -0.06 -0.33 0.00 0.00 0.00 0.00 54.91 55.20 2byt h ALA 342 Cb 2.52 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 19.90 2byt h ALA 342 CO -0.14 0.09 -1.17 0.72 0.00 0.00 0.00 179.25 178.76 2byt n HIS 343 N -3.24 1.23 -3.08 0.00 8.25 0.12 -2.47 115.22 116.03 2byt n HIS 343 Ca -0.00 -2.58 0.05 0.00 -0.26 0.00 0.00 57.72 54.93 2byt n HIS 343 Cb 0.30 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.08 2byt n HIS 343 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2byt s ASP 344 N -3.35 -0.09 0.15 0.41 -1.08 -1.23 -4.59 116.67 106.89 2byt s ASP 344 Ca 0.27 0.00 -0.21 0.00 -0.52 0.00 0.00 52.55 52.10 2byt s ASP 344 Cb 0.41 0.91 0.05 0.00 -1.46 0.00 0.00 42.92 42.83 2byt s ASP 344 CO 0.01 -0.02 1.27 1.67 0.52 0.00 0.00 175.17 178.62 2byt n GLN 345 N 4.80 -0.29 -0.13 4.34 -0.06 -1.26 0.08 117.38 124.85 2byt n GLN 345 Ca 0.10 1.25 -0.06 0.00 -2.00 0.00 0.00 57.00 56.28 2byt n GLN 345 Cb 0.60 -1.84 -0.05 0.00 -4.06 0.00 0.00 30.24 24.89 2byt n GLN 345 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2byt h ARG 346 N 0.00 -0.11 0.04 3.69 3.08 -1.97 1.42 114.38 120.53 2byt h ARG 346 Ca 0.19 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.28 2byt h ARG 346 Cb 0.40 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 2byt h ARG 346 CO -0.79 -0.07 -0.33 -0.44 -1.07 0.00 0.00 179.97 177.28 2byt h ASP 347 N -0.11 -0.97 -0.58 7.04 3.32 -1.35 -0.16 116.42 123.62 2byt h ASP 347 Ca 0.06 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.28 2byt h ASP 347 Cb 0.26 0.38 -0.08 0.00 0.22 0.00 0.00 39.33 40.10 2byt h ASP 347 CO -0.38 -0.40 -0.46 0.22 -1.72 0.00 0.00 179.24 176.51 2byt h TYR 348 N -0.50 -1.45 -0.58 4.55 5.03 0.17 0.46 116.97 124.64 2byt h TYR 348 Ca 0.05 0.09 0.11 0.00 2.58 0.00 0.00 58.73 61.55 2byt h TYR 348 Cb 0.57 0.71 -0.08 0.00 1.55 0.00 0.00 36.73 39.48 2byt h TYR 348 CO -0.33 -0.34 0.12 0.93 -1.32 0.00 0.00 178.16 177.22 2byt h GLU 349 N -0.15 0.25 -0.50 1.82 5.08 0.22 0.17 114.58 121.46 2byt h GLU 349 Ca 0.10 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2byt h GLU 349 Cb 0.40 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2byt h GLU 349 CO -0.62 0.16 0.33 0.35 -1.00 0.00 0.00 179.01 178.23 2byt h PHE 350 N 0.25 0.52 0.08 4.33 3.04 0.11 -1.55 116.94 123.72 2byt h PHE 350 Ca 0.30 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.26 2byt h PHE 350 Cb 0.44 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.78 2byt h PHE 350 CO -0.25 0.30 -0.04 0.00 -2.02 0.00 0.00 178.31 176.31 2byt h ALA 351 N 1.71 -0.11 0.00 2.41 0.00 0.24 -2.68 119.26 120.85 2byt h ALA 351 Ca 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2byt h ALA 351 Cb 0.14 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2byt h ALA 351 CO -0.05 -0.28 -0.01 -0.09 0.00 0.00 0.00 179.25 178.82 2byt h ARG 352 N -0.67 0.00 0.00 0.00 1.12 -0.38 -1.65 114.38 112.80 2byt h ARG 352 Ca -0.01 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.80 2byt h ARG 352 Cb 0.55 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.50 2byt h ARG 352 CO 0.02 0.01 -0.33 -0.22 -3.11 0.00 0.00 179.97 176.33 2byt h LYS 353 N 0.00 0.01 -1.47 0.20 3.64 -1.27 -3.37 116.57 114.31 2byt h LYS 353 Ca -0.00 -0.01 -0.61 0.00 -1.27 0.00 0.00 60.65 58.76 2byt h LYS 353 Cb 0.06 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 31.64 2byt h LYS 353 CO 0.00 1.00 0.78 1.19 -2.27 0.00 0.00 179.45 180.15 2byt n PHE 354 N -4.55 2.65 -3.97 1.91 3.72 -1.01 -4.92 117.46 111.28 2byt n PHE 354 Ca -0.16 -2.52 -0.30 0.00 -0.05 0.00 0.00 57.45 54.42 2byt n PHE 354 Cb 0.54 -1.29 -0.07 0.00 -0.94 0.00 0.00 39.48 37.72 2byt n PHE 354 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2byt n GLY 355 N -0.36 -0.21 3.94 1.37 0.00 -1.09 -4.94 105.19 103.89 2byt n GLY 355 Ca 0.53 0.10 -0.26 0.00 0.00 0.00 0.00 46.02 46.39 2byt n GLY 355 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2byt s LEU 356 N -6.31 4.33 0.40 0.99 1.43 -0.64 -5.05 118.68 113.84 2byt s LEU 356 Ca 0.34 0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 53.38 2byt s LEU 356 Cb -0.20 -2.92 -0.09 0.00 0.03 0.00 0.00 46.19 43.01 2byt s LEU 356 CO 0.82 0.05 1.11 -2.84 0.23 0.00 0.00 176.35 175.71 2byt s PRO 357 N -3.25 4.09 -0.21 1.29 0.02 -1.26 -4.56 135.00 131.11 2byt s PRO 357 Ca 0.35 1.66 0.02 0.00 0.02 0.00 0.00 61.00 63.05 2byt s PRO 357 Cb -0.11 -2.59 0.04 0.00 0.02 0.00 0.00 34.50 31.86 2byt s PRO 357 CO 0.29 -0.25 -0.16 0.42 -0.33 0.00 0.00 177.00 176.97 2byt s ILE 358 N -1.54 2.09 -0.15 2.83 1.01 -1.26 -4.76 121.20 119.42 2byt s ILE 358 Ca 0.58 -1.21 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 2byt s ILE 358 Cb -0.26 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 2byt s ILE 358 CO 0.33 0.31 -0.07 -0.75 0.00 0.00 0.00 174.94 174.76 2byt s LYS 359 N 1.22 3.57 -0.03 2.79 2.20 -1.26 -4.92 119.74 123.31 2byt s LYS 359 Ca -0.01 -0.58 -0.24 0.00 -0.36 0.00 0.00 55.97 54.79 2byt s LYS 359 Cb -0.16 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 33.29 2byt s LYS 359 CO -0.10 0.21 0.72 0.21 -0.36 0.00 0.00 175.35 176.03 2byt s LYS 360 N 0.42 4.44 0.00 4.03 2.20 -1.26 -4.35 119.74 125.22 2byt s LYS 360 Ca -0.06 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 2byt s LYS 360 Cb -0.15 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 2byt s LYS 360 CO 0.04 0.15 0.09 1.33 -0.36 0.00 0.00 175.35 176.59 2byt n VAL 361 N 3.43 0.01 -3.78 4.02 0.24 -1.26 -4.71 118.33 116.27 2byt n VAL 361 Ca -0.02 -0.03 -0.29 0.00 -2.04 0.00 0.00 64.34 61.97 2byt n VAL 361 Cb 0.51 1.83 -0.16 0.00 -1.47 0.00 0.00 33.84 34.55 2byt n VAL 361 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2byt s ILE 362 N -0.01 0.84 0.21 1.34 -1.09 -1.26 -1.76 121.20 119.47 2byt s ILE 362 Ca 0.00 -0.94 -0.18 0.00 -2.23 0.00 0.00 60.65 57.31 2byt s ILE 362 Cb 0.00 -1.38 -0.08 0.00 -1.58 0.00 0.00 42.46 39.42 2byt s ILE 362 CO 0.00 -0.32 0.67 -0.70 -1.23 0.00 0.00 174.94 173.37 2byt s GLU 363 N 1.69 4.15 0.00 2.79 2.56 0.20 -4.84 118.70 125.25 2byt s GLU 363 Ca 0.01 0.73 -0.30 0.00 0.00 0.00 0.00 54.97 55.41 2byt s GLU 363 Cb -0.18 -2.86 -0.03 0.00 2.00 0.00 0.00 34.13 33.06 2byt s GLU 363 CO -0.12 0.40 0.98 0.50 -0.56 0.00 0.00 175.26 176.46 2byt s ARG 364 N -2.05 4.56 0.07 4.30 3.52 -1.26 -0.50 118.95 127.58 2byt s ARG 364 Ca 0.42 1.43 -0.32 0.00 -0.13 0.00 0.00 55.73 57.13 2byt s ARG 364 Cb -0.16 -3.46 -0.11 0.00 -1.56 0.00 0.00 34.95 29.67 2byt s ARG 364 CO 0.20 -0.05 1.86 -2.30 -0.81 0.00 0.00 175.30 174.20 2byt n PRO 365 N 3.87 2.64 0.00 5.12 -0.02 -1.26 -4.29 135.00 141.07 2byt n PRO 365 Ca 0.06 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 2byt n PRO 365 Cb 0.51 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 2byt n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2byt n GLY 366 N 4.26 2.11 3.56 -1.23 0.00 -1.26 -4.84 105.19 107.79 2byt n GLY 366 Ca 0.19 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2byt n GLY 366 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2byt n GLU 367 N 0.00 1.35 -0.84 1.61 0.00 -1.26 -4.93 120.64 116.56 2byt n GLU 367 Ca 0.00 0.19 -0.33 0.00 0.00 0.00 0.00 57.16 57.02 2byt n GLU 367 Cb 0.00 -3.32 0.12 0.00 0.00 0.00 0.00 31.44 28.24 2byt n GLU 367 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 2byt n PRO 368 N 8.89 -0.23 -3.07 5.31 -0.02 -1.26 -4.62 135.00 140.00 2byt n PRO 368 Ca 0.35 -0.02 -0.40 0.00 -2.02 0.00 0.00 63.50 61.41 2byt n PRO 368 Cb 0.49 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 32.04 2byt n PRO 368 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2byt s LEU 369 N -1.30 4.24 -0.22 2.45 1.43 -1.26 -4.96 118.68 119.06 2byt s LEU 369 Ca 0.58 1.05 -0.31 0.00 -1.03 0.00 0.00 54.13 54.41 2byt s LEU 369 Cb -0.23 -3.01 -0.08 0.00 0.03 0.00 0.00 46.19 42.90 2byt s LEU 369 CO 0.66 -0.20 2.14 -0.81 0.23 0.00 0.00 176.35 178.38 2byt n PRO 370 N 4.38 1.78 -3.59 1.29 -0.04 -1.26 -4.96 135.00 132.59 2byt n PRO 370 Ca -0.01 0.53 -0.36 0.00 -0.04 0.00 0.00 63.50 63.62 2byt n PRO 370 Cb 0.50 -2.89 -0.08 0.00 -0.04 0.00 0.00 33.50 31.00 2byt n PRO 370 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2byt s GLU 371 N 5.84 4.19 0.53 0.54 2.56 -1.26 -2.51 118.70 128.59 2byt s GLU 371 Ca 1.02 -0.05 -0.11 0.00 0.00 0.00 0.00 54.97 55.83 2byt s GLU 371 Cb -0.56 -3.46 -0.05 0.00 2.00 0.00 0.00 34.13 32.06 2byt s GLU 371 CO 0.43 0.18 0.92 -1.25 -0.56 0.00 0.00 175.26 174.98 2byt s PRO 372 N 0.66 3.69 0.38 4.30 0.04 -1.26 -5.13 135.00 137.69 2byt s PRO 372 Ca 0.13 0.62 -0.26 0.00 0.04 0.00 0.00 61.00 61.53 2byt s PRO 372 Cb -0.13 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 2byt s PRO 372 CO 0.03 -0.33 1.24 -0.51 0.04 0.00 0.00 177.00 177.47 2byt s LEU 373 N -4.61 4.26 -0.03 -3.56 1.02 -1.04 -4.94 118.68 109.77 2byt s LEU 373 Ca 0.53 2.53 0.05 0.00 0.02 0.00 0.00 54.13 57.26 2byt s LEU 373 Cb -0.10 -3.89 0.07 0.00 0.02 0.00 0.00 46.19 42.29 2byt s LEU 373 CO 0.43 -0.70 0.92 -0.62 0.02 0.00 0.00 176.35 176.40 2byt n GLU 374 N 0.28 1.28 -3.62 1.70 1.02 -1.26 -5.03 120.64 115.01 2byt n GLU 374 Ca 0.03 -1.45 -0.07 0.00 -0.02 0.00 0.00 57.16 55.65 2byt n GLU 374 Cb 0.44 -0.92 -0.06 0.00 -0.02 0.00 0.00 31.44 30.89 2byt n GLU 374 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2byt s ARG 375 N -1.06 0.37 1.36 3.49 1.70 -1.26 -5.15 118.95 118.40 2byt s ARG 375 Ca 0.08 0.25 -0.20 0.00 -0.47 0.00 0.00 55.73 55.38 2byt s ARG 375 Cb 0.07 0.18 0.35 0.00 -0.57 0.00 0.00 34.95 34.98 2byt s ARG 375 CO 0.01 -0.08 0.95 0.00 -1.08 0.00 0.00 175.30 175.10 2byt s ALA 376 N -0.47 -0.69 -0.33 7.88 0.00 -1.26 -5.03 121.76 121.86 2byt s ALA 376 Ca 0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 2byt s ALA 376 Cb -0.03 -3.01 0.13 0.00 0.00 0.00 0.00 23.12 20.21 2byt s ALA 376 CO -0.06 -4.43 0.22 -0.47 0.00 0.00 0.00 175.76 171.02 2byt s TYR 377 N -2.33 0.38 -2.30 0.00 5.04 -1.03 -4.95 117.35 112.16 2byt s TYR 377 Ca 0.69 -1.20 0.27 0.00 -2.44 0.00 0.00 57.07 54.39 2byt s TYR 377 Cb -0.16 -0.80 0.93 0.00 0.35 0.00 0.00 41.96 42.28 2byt s TYR 377 CO 0.60 -0.86 1.67 0.39 -1.34 0.00 0.00 175.55 176.01 2byt n GLU 378 N 4.49 1.44 -2.46 4.97 1.02 -1.26 -4.46 120.64 124.38 2byt n GLU 378 Ca 0.06 -0.86 -0.29 0.00 -0.02 0.00 0.00 57.16 56.05 2byt n GLU 378 Cb 0.40 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 2byt n GLU 378 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2byt s GLU 379 N -2.15 3.64 0.55 3.49 8.01 -1.26 -5.04 118.70 125.94 2byt s GLU 379 Ca 0.34 0.47 -0.21 0.00 0.01 0.00 0.00 54.97 55.58 2byt s GLU 379 Cb 0.20 -2.28 -0.05 0.00 -4.31 0.00 0.00 34.13 27.70 2byt s GLU 379 CO 0.39 -0.27 1.25 -2.14 0.01 0.00 0.00 175.26 174.50 2byt s PRO 380 N -4.61 3.21 0.00 0.39 0.02 -1.26 -5.01 135.00 127.74 2byt s PRO 380 Ca 0.51 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.50 2byt s PRO 380 Cb -0.10 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 32.26 2byt s PRO 380 CO 0.43 -1.05 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 2byt n GLY 381 N 0.59 3.06 3.88 0.52 0.00 -1.26 -4.69 105.19 107.29 2byt n GLY 381 Ca 0.11 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 2byt n GLY 381 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2byt s ILE 382 N -2.61 5.42 0.34 -0.61 -1.09 0.34 -1.40 121.20 121.59 2byt s ILE 382 Ca 0.00 0.24 -0.24 0.00 -2.23 0.00 0.00 60.65 58.42 2byt s ILE 382 Cb 0.00 -3.47 -0.10 0.00 -1.58 0.00 0.00 42.46 37.31 2byt s ILE 382 CO 0.00 0.55 0.92 -0.04 -1.23 0.00 0.00 174.94 175.15 2byt s MET 383 N -1.23 4.47 0.04 2.79 -1.94 -0.62 0.61 119.30 123.42 2byt s MET 383 Ca 0.19 1.23 -0.21 0.00 -1.71 0.00 0.00 55.69 55.19 2byt s MET 383 Cb -0.13 -2.66 0.05 0.00 2.01 0.00 0.00 34.83 34.10 2byt s MET 383 CO 0.08 0.22 0.49 0.54 -0.01 0.00 0.00 175.02 176.34 2byt s VAL 384 N -1.74 0.04 -1.95 -6.03 0.11 -0.72 -0.37 120.40 109.73 2byt s VAL 384 Ca 0.52 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 2byt s VAL 384 Cb -0.16 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 2byt s VAL 384 CO 0.21 -0.16 0.00 0.59 -3.33 0.00 0.00 175.10 172.41 2byt n ASN 385 N 0.50 -5.42 -2.26 3.54 3.02 -1.26 -4.24 115.26 109.14 2byt n ASN 385 Ca -0.19 0.30 -0.27 0.00 -0.03 0.00 0.00 54.58 54.40 2byt n ASN 385 Cb 0.60 -4.69 0.02 0.00 -0.61 0.00 0.00 39.78 35.10 2byt n ASN 385 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2byt n SER 386 N -1.55 5.23 0.00 6.41 7.64 -1.26 -4.90 113.62 125.19 2byt n SER 386 Ca -0.21 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 55.92 2byt n SER 386 Cb 0.66 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2byt n SER 386 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2byt n GLY 387 N -0.63 2.05 0.04 0.23 0.00 -1.26 -2.63 105.19 102.99 2byt n GLY 387 Ca 0.44 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 46.00 2byt n GLY 387 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2byt n PRO 388 N 9.85 0.05 0.00 1.61 -0.04 -1.26 -2.65 135.00 142.55 2byt n PRO 388 Ca 0.00 0.41 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 2byt n PRO 388 Cb 0.00 -1.62 0.73 0.00 -0.04 0.00 0.00 33.50 32.57 2byt n PRO 388 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2byt n PHE 389 N -1.71 0.00 -1.49 0.54 3.72 -1.08 -4.92 117.46 112.52 2byt n PHE 389 Ca 0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.04 2byt n PHE 389 Cb 0.10 -0.27 0.04 0.00 -0.94 0.00 0.00 39.48 38.42 2byt n PHE 389 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2byt n ASP 390 N -1.27 -0.72 0.00 4.37 8.00 -1.09 -1.58 116.55 124.26 2byt n ASP 390 Ca 0.14 0.74 0.00 0.00 0.71 0.00 0.00 54.79 56.38 2byt n ASP 390 Cb 0.22 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 2byt n ASP 390 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2byt n GLY 391 N 1.69 2.14 3.77 0.44 0.00 0.50 -4.94 105.19 108.80 2byt n GLY 391 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2byt n GLY 391 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2byt s THR 392 N -0.28 2.21 0.93 2.61 2.01 -0.62 -4.53 115.64 117.98 2byt s THR 392 Ca 0.00 0.21 -0.10 0.00 0.31 0.00 0.00 61.69 62.10 2byt s THR 392 Cb 0.00 -3.13 0.15 0.00 0.01 0.00 0.00 72.50 69.53 2byt s THR 392 CO 0.00 0.05 1.10 -0.62 -0.69 0.00 0.00 174.62 174.45 2byt n GLU 393 N 0.40 -0.56 0.13 4.92 -0.58 -1.26 -1.59 120.64 122.10 2byt n GLU 393 Ca 0.02 -0.10 -0.13 0.00 -0.42 0.00 0.00 57.16 56.53 2byt n GLU 393 Cb 0.40 -2.34 -0.08 0.00 -0.57 0.00 0.00 31.44 28.86 2byt n GLU 393 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2byt h SER 394 N -1.93 -0.30 0.12 1.62 0.87 -1.60 -1.23 113.55 111.10 2byt h SER 394 Ca -0.44 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 2byt h SER 394 Cb 1.27 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 2byt h SER 394 CO 0.41 0.09 -0.11 -0.33 -0.53 0.00 0.00 176.83 176.36 2byt h GLU 395 N -0.75 -0.25 0.00 2.24 4.39 -1.93 -1.65 114.58 116.64 2byt h GLU 395 Ca -0.04 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2byt h GLU 395 Cb 0.50 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2byt h GLU 395 CO 0.06 -0.16 -0.11 1.49 -1.16 0.00 0.00 179.01 179.12 2byt h GLU 396 N -0.26 0.00 0.59 2.33 4.81 -1.96 -3.04 114.58 117.06 2byt h GLU 396 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2byt h GLU 396 Cb 0.24 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.63 2byt h GLU 396 CO -0.03 0.11 -0.28 0.78 -0.73 0.00 0.00 179.01 178.86 2byt h GLY 397 N 1.24 -0.83 0.00 1.92 0.00 -0.26 -3.02 103.07 102.13 2byt h GLY 397 Ca -0.00 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2byt h GLY 397 CO 0.01 -0.30 0.00 0.28 0.00 0.00 0.00 176.54 176.53 2byt n LYS 398 N -5.40 0.00 -0.12 4.80 5.02 -1.01 -0.22 118.16 121.24 2byt n LYS 398 Ca -0.12 0.89 0.25 0.00 -2.02 0.00 0.00 58.31 57.31 2byt n LYS 398 Cb 0.34 -1.34 0.71 0.00 -0.02 0.00 0.00 35.03 34.71 2byt n LYS 398 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2byt h ARG 399 N 0.00 0.01 -0.00 1.97 0.11 -1.70 -0.11 114.38 114.66 2byt h ARG 399 Ca 0.00 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2byt h ARG 399 Cb 0.00 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2byt h ARG 399 CO 0.00 0.01 -0.04 0.87 0.10 0.00 0.00 179.97 180.90 2byt h LYS 400 N 0.01 0.04 -0.66 0.08 1.57 -0.53 -1.18 116.57 115.90 2byt h LYS 400 Ca 0.37 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.12 2byt h LYS 400 Cb 1.45 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.74 2byt h LYS 400 CO -0.01 0.75 0.43 0.28 -0.57 0.00 0.00 179.45 180.34 2byt h VAL 401 N -0.66 1.17 0.03 0.50 2.07 0.32 0.27 116.25 119.95 2byt h VAL 401 Ca -0.00 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2byt h VAL 401 Cb 0.76 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2byt h VAL 401 CO 0.01 0.16 -0.02 0.40 0.02 0.00 0.00 177.57 178.15 2byt h ILE 402 N 0.89 1.22 -0.13 4.57 2.04 -1.08 0.00 117.51 125.03 2byt h ILE 402 Ca 0.24 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.33 2byt h ILE 402 Cb -0.10 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2byt h ILE 402 CO -0.05 0.21 0.13 0.00 0.00 0.00 0.00 178.15 178.43 2byt h ALA 403 N 0.55 1.82 -0.03 1.87 0.00 -0.56 0.16 119.26 123.07 2byt h ALA 403 Ca -0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2byt h ALA 403 Cb 0.37 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2byt h ALA 403 CO 0.01 -0.20 -0.68 2.35 0.00 0.00 0.00 179.25 180.73 2byt h TRP 404 N 0.00 0.74 0.09 0.00 7.01 -0.07 -3.22 115.95 120.50 2byt h TRP 404 Ca 0.06 -0.38 -0.00 0.00 2.11 0.00 0.00 58.89 60.68 2byt h TRP 404 Cb 0.32 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.29 2byt h TRP 404 CO 0.00 1.20 -0.04 -0.07 -2.79 0.00 0.00 178.44 176.73 2byt h LEU 405 N 0.08 -0.10 0.00 0.65 3.38 0.11 -2.12 115.31 117.32 2byt h LEU 405 Ca -0.08 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2byt h LEU 405 Cb 1.36 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2byt h LEU 405 CO 0.13 0.12 0.00 -0.62 0.09 0.00 0.00 178.44 178.16 2byt n GLU 406 N -5.05 0.23 -0.09 1.13 1.02 0.32 -1.12 120.64 117.08 2byt n GLU 406 Ca -0.08 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.92 2byt n GLU 406 Cb 0.15 -1.10 -0.08 0.00 -0.02 0.00 0.00 31.44 30.39 2byt n GLU 406 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2byt n GLU 407 N -0.60 0.45 0.00 3.49 2.13 -0.81 -4.50 120.64 120.80 2byt n GLU 407 Ca 0.01 0.11 0.13 0.00 0.66 0.00 0.00 57.16 58.07 2byt n GLU 407 Cb 0.00 -1.35 0.34 0.00 0.27 0.00 0.00 31.44 30.71 2byt n GLU 407 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2byt n LYS 408 N -3.10 1.81 -2.61 5.31 4.76 -0.64 -4.93 118.16 118.76 2byt n LYS 408 Ca -0.33 -1.26 -0.11 0.00 -2.87 0.00 0.00 58.31 53.74 2byt n LYS 408 Cb 0.84 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 32.57 2byt n LYS 408 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2byt n GLY 409 N 1.26 0.07 0.09 0.72 0.00 -0.28 -4.93 105.19 102.12 2byt n GLY 409 Ca 0.16 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 2byt n GLY 409 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2byt n LEU 410 N -2.09 0.46 0.00 0.99 4.77 -0.91 -5.01 117.00 115.21 2byt n LEU 410 Ca -0.06 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2byt n LEU 410 Cb 0.56 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 2byt n LEU 410 CO 0.23 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2byt n GLY 411 N 1.57 2.35 3.58 -0.72 0.00 -1.24 -0.59 105.19 110.14 2byt n GLY 411 Ca -0.20 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.07 2byt n GLY 411 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2byt s LYS 412 N 1.03 0.65 -0.10 1.61 -2.85 -0.82 -3.61 119.74 115.65 2byt s LYS 412 Ca 0.00 -0.28 -0.25 0.00 -1.00 0.00 0.00 55.97 54.44 2byt s LYS 412 Cb 0.00 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 36.02 2byt s LYS 412 CO 0.00 -0.29 0.79 0.20 0.10 0.00 0.00 175.35 176.15 2byt s GLY 413 N -2.51 2.46 0.24 0.59 0.00 -1.26 0.32 107.32 107.16 2byt s GLY 413 Ca 0.09 0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.97 2byt s GLY 413 CO -0.05 1.45 0.09 -1.60 0.00 0.00 0.00 173.10 172.98 2byt s ARG 414 N 1.36 1.36 -0.26 2.90 3.52 0.24 -4.85 118.95 123.23 2byt s ARG 414 Ca 0.40 -1.73 -0.02 0.00 -0.13 0.00 0.00 55.73 54.25 2byt s ARG 414 Cb -0.18 -0.23 0.08 0.00 -1.56 0.00 0.00 34.95 33.06 2byt s ARG 414 CO 0.17 -0.28 0.07 0.08 -0.81 0.00 0.00 175.30 174.54 2byt s VAL 415 N -3.77 0.59 0.58 7.11 1.01 -1.26 -0.81 120.40 123.84 2byt s VAL 415 Ca 0.36 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2byt s VAL 415 Cb 0.08 -1.29 0.04 0.00 0.00 0.00 0.00 36.38 35.21 2byt s VAL 415 CO 0.12 -0.48 0.81 0.42 0.00 0.00 0.00 175.10 175.98 2byt s THR 416 N 1.79 2.58 0.05 3.92 -4.23 -1.05 -4.90 115.64 113.80 2byt s THR 416 Ca 0.05 -0.62 0.04 0.00 -1.18 0.00 0.00 61.69 59.97 2byt s THR 416 Cb -0.17 -2.96 -0.02 0.00 1.34 0.00 0.00 72.50 70.69 2byt s THR 416 CO -0.20 0.00 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.46 2byt s TYR 417 N -2.84 0.99 0.17 3.99 2.02 -1.26 -2.50 117.35 117.92 2byt s TYR 417 Ca 0.58 -0.41 -0.05 0.00 -0.37 0.00 0.00 57.07 56.82 2byt s TYR 417 Cb -0.10 -0.58 0.03 0.00 -0.40 0.00 0.00 41.96 40.91 2byt s TYR 417 CO 0.39 0.00 1.44 0.00 -1.57 0.00 0.00 175.55 175.82 2byt h ARG 418 N 4.66 0.59 -6.14 -0.62 3.08 -0.34 -3.45 114.38 112.17 2byt h ARG 418 Ca -0.38 -0.42 -0.75 0.00 0.07 0.00 0.00 59.98 58.51 2byt h ARG 418 Cb 1.19 0.07 0.03 0.00 0.08 0.00 0.00 29.97 31.34 2byt h ARG 418 CO 0.42 1.04 0.66 -0.11 -1.07 0.00 0.00 179.97 180.91 2byt n LEU 419 N -3.93 1.75 -4.76 3.04 7.94 -0.88 -4.94 117.00 115.22 2byt n LEU 419 Ca -0.04 1.11 -0.32 0.00 -1.11 0.00 0.00 56.01 55.65 2byt n LEU 419 Cb 0.66 -1.09 -0.07 0.00 0.53 0.00 0.00 43.42 43.45 2byt n LEU 419 CO 0.49 -0.82 -0.26 -0.13 -1.11 0.00 0.00 177.39 175.56 2byt s ARG 420 N 2.28 2.99 0.68 1.96 0.52 -1.26 -4.87 118.95 121.24 2byt s ARG 420 Ca 0.95 -0.54 -0.17 0.00 -0.52 0.00 0.00 55.73 55.45 2byt s ARG 420 Cb -1.13 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 31.50 2byt s ARG 420 CO 0.63 0.63 0.78 -0.25 0.02 0.00 0.00 175.30 177.11 2byt n ASP 421 N 1.10 -0.15 -4.66 0.23 8.00 -1.26 -4.81 116.55 115.00 2byt n ASP 421 Ca -0.13 0.68 -0.43 0.00 0.71 0.00 0.00 54.79 55.63 2byt n ASP 421 Cb 0.52 -1.32 -0.02 0.00 -0.02 0.00 0.00 41.12 40.29 2byt n ASP 421 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2byt s TRP 422 N -1.77 3.12 -0.54 1.24 -0.00 -0.56 -4.85 118.94 115.58 2byt s TRP 422 Ca 0.71 1.26 -0.19 0.00 -0.00 0.00 0.00 56.10 57.88 2byt s TRP 422 Cb -0.37 -3.41 0.08 0.00 -0.00 0.00 0.00 33.47 29.76 2byt s TRP 422 CO 0.52 -0.99 0.66 -1.17 -0.00 0.00 0.00 176.95 175.97 2byt s LEU 423 N 3.39 5.12 -0.13 5.86 0.20 -1.26 0.18 118.68 132.04 2byt s LEU 423 Ca 0.48 -1.12 0.17 0.00 0.69 0.00 0.00 54.13 54.35 2byt s LEU 423 Cb -0.17 -2.39 0.67 0.00 -0.43 0.00 0.00 46.19 43.87 2byt s LEU 423 CO 0.10 -0.99 1.58 2.30 -0.29 0.00 0.00 176.35 179.05 2byt n ILE 424 N 5.60 1.97 -4.33 6.68 -5.35 -0.88 -4.30 119.36 118.75 2byt n ILE 424 Ca -0.08 -1.32 -0.34 0.00 -0.27 0.00 0.00 62.75 60.74 2byt n ILE 424 Cb 0.44 0.04 -0.11 0.00 -1.74 0.00 0.00 39.64 38.28 2byt n ILE 424 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2byt s SER 425 N -1.07 5.10 0.03 7.28 1.04 -1.24 -1.46 113.70 123.38 2byt s SER 425 Ca 0.48 0.01 0.08 0.00 0.48 0.00 0.00 55.95 56.99 2byt s SER 425 Cb 0.32 -1.69 -0.02 0.00 0.10 0.00 0.00 66.02 64.73 2byt s SER 425 CO 0.20 0.25 -0.22 -0.13 0.98 0.00 0.00 173.24 174.32 2byt s ARG 426 N -0.11 1.56 -1.19 4.02 1.81 0.27 -4.70 118.95 120.61 2byt s ARG 426 Ca 0.04 -0.93 -0.04 0.00 -1.72 0.00 0.00 55.73 53.08 2byt s ARG 426 Cb -0.13 -1.64 0.21 0.00 -0.45 0.00 0.00 34.95 32.94 2byt s ARG 426 CO 0.02 0.43 2.09 1.04 -0.68 0.00 0.00 175.30 178.20 2byt n GLN 427 N 2.01 4.88 -4.23 3.54 3.00 -1.26 -0.88 117.38 124.44 2byt n GLN 427 Ca -0.17 -4.01 -0.13 0.00 -0.01 0.00 0.00 57.00 52.69 2byt n GLN 427 Cb 0.53 -2.58 -0.10 0.00 0.00 0.00 0.00 30.24 28.09 2byt n GLN 427 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2byt s ARG 428 N -2.42 1.02 -0.11 -1.09 1.81 -1.26 -4.44 118.95 112.46 2byt s ARG 428 Ca 0.46 -1.45 -0.05 0.00 -1.72 0.00 0.00 55.73 52.98 2byt s ARG 428 Cb 0.17 -0.43 -0.04 0.00 -0.45 0.00 0.00 34.95 34.20 2byt s ARG 428 CO -0.09 -0.00 0.09 -0.92 -0.68 0.00 0.00 175.30 173.70 2byt h TYR 429 N 2.80 0.00 -0.94 -0.53 3.20 -1.91 -3.42 116.97 116.17 2byt h TYR 429 Ca -0.36 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.25 2byt h TYR 429 Cb 1.19 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.44 2byt h TYR 429 CO 0.60 0.15 0.74 -0.46 -1.64 0.00 0.00 178.16 177.55 2byt s TRP 430 N -1.69 1.43 -0.18 -3.82 -0.00 -1.26 -4.79 118.94 108.62 2byt s TRP 430 Ca -0.04 1.29 -0.35 0.00 -0.00 0.00 0.00 56.10 57.00 2byt s TRP 430 Cb -0.00 -3.76 0.14 0.00 -0.00 0.00 0.00 33.47 29.85 2byt s TRP 430 CO 0.11 -1.91 1.29 0.20 -0.00 0.00 0.00 176.95 176.64 2byt s GLY 431 N 9.74 -0.31 -0.10 5.86 0.00 -1.26 -2.91 107.32 118.34 2byt s GLY 431 Ca 0.82 1.48 -0.30 0.00 0.00 0.00 0.00 44.72 46.72 2byt s GLY 431 CO 0.10 0.46 1.24 -1.59 0.00 0.00 0.00 173.10 173.31 2byt s THR 432 N -2.29 4.24 0.14 0.90 2.01 -1.25 -4.78 115.64 114.61 2byt s THR 432 Ca 0.11 1.54 -0.31 0.00 0.31 0.00 0.00 61.69 63.34 2byt s THR 432 Cb 0.01 -3.99 -0.10 0.00 0.01 0.00 0.00 72.50 68.43 2byt s THR 432 CO -0.04 -0.06 1.62 -2.84 -0.69 0.00 0.00 174.62 172.61 2byt s PRO 433 N 2.83 4.20 -0.07 4.92 0.02 -1.26 0.84 135.00 146.47 2byt s PRO 433 Ca 0.56 2.39 -0.30 0.00 0.02 0.00 0.00 61.00 63.67 2byt s PRO 433 Cb -0.24 -3.31 -0.04 0.00 0.02 0.00 0.00 34.50 30.93 2byt s PRO 433 CO 0.19 -0.67 1.46 0.42 -0.33 0.00 0.00 177.00 178.06 2byt s ILE 434 N 1.71 3.82 0.00 2.83 1.01 -1.20 -4.86 121.20 124.52 2byt s ILE 434 Ca 0.72 1.07 -0.02 0.00 0.00 0.00 0.00 60.65 62.43 2byt s ILE 434 Cb -0.43 -3.69 -0.10 0.00 0.01 0.00 0.00 42.46 38.25 2byt s ILE 434 CO 0.32 -0.06 1.85 -0.81 0.00 0.00 0.00 174.94 176.24 2byt n PRO 435 N 6.38 0.92 -4.31 2.79 -0.04 -1.26 -4.50 135.00 134.98 2byt n PRO 435 Ca 0.15 -0.36 -0.22 0.00 -0.04 0.00 0.00 63.50 63.03 2byt n PRO 435 Cb 0.44 -1.57 -0.12 0.00 -0.04 0.00 0.00 33.50 32.21 2byt n PRO 435 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2byt s MET 436 N 1.50 1.22 0.18 0.54 -1.94 -1.26 -1.57 119.30 117.96 2byt s MET 436 Ca 0.24 -1.32 0.05 0.00 -1.71 0.00 0.00 55.69 52.95 2byt s MET 436 Cb 0.11 -1.35 -0.05 0.00 2.01 0.00 0.00 34.83 35.56 2byt s MET 436 CO 0.00 0.29 -0.10 0.08 -0.01 0.00 0.00 175.02 175.28 2byt s VAL 437 N -1.73 1.32 -0.36 -6.03 1.01 -0.25 -1.07 120.40 113.30 2byt s VAL 437 Ca 0.12 -2.10 0.03 0.00 0.00 0.00 0.00 61.98 60.03 2byt s VAL 437 Cb -0.07 -2.01 0.10 0.00 0.00 0.00 0.00 36.38 34.40 2byt s VAL 437 CO 0.06 -0.62 0.08 -1.00 0.00 0.00 0.00 175.10 173.62 2byt s HIS 438 N -3.23 3.38 0.41 5.22 3.76 0.43 -1.70 115.29 123.56 2byt s HIS 438 Ca 0.21 -2.84 -0.05 0.00 -0.15 0.00 0.00 55.06 52.23 2byt s HIS 438 Cb 0.02 -2.73 -0.04 0.00 1.11 0.00 0.00 32.58 30.94 2byt s HIS 438 CO 0.04 -0.91 0.70 0.00 -0.85 0.00 0.00 174.74 173.71 2byt n GLU 440 N -1.74 0.63 -0.11 0.00 2.13 -1.26 -2.41 120.64 117.88 2byt n GLU 440 Ca -0.00 0.15 -0.13 0.00 0.66 0.00 0.00 57.16 57.83 2byt n GLU 440 Cb 0.55 -1.75 -0.14 0.00 0.27 0.00 0.00 31.44 30.36 2byt n GLU 440 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2byt n ALA 441 N -2.39 1.47 -0.00 4.31 0.00 -1.26 -4.50 120.51 118.13 2byt n ALA 441 Ca -0.10 -1.22 -0.01 0.00 0.00 0.00 0.00 53.44 52.11 2byt n ALA 441 Cb 0.81 -0.17 -0.11 0.00 0.00 0.00 0.00 19.45 19.98 2byt n ALA 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2byt n GLY 443 N 1.46 0.76 3.55 0.00 0.00 -1.01 -4.80 105.19 105.15 2byt n GLY 443 Ca -0.14 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 2byt n GLY 443 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2byt s VAL 444 N 0.00 4.69 -0.07 1.61 1.01 -1.26 0.33 120.40 126.71 2byt s VAL 444 Ca 0.00 0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.58 2byt s VAL 444 Cb 0.00 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 2byt s VAL 444 CO 0.00 -0.61 -0.21 -0.69 0.00 0.00 0.00 175.10 173.59 2byt s VAL 445 N 3.19 2.38 0.11 2.92 1.01 -0.69 -4.98 120.40 124.34 2byt s VAL 445 Ca 0.30 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2byt s VAL 445 Cb -0.13 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.30 2byt s VAL 445 CO 0.21 0.57 1.02 -2.16 0.00 0.00 0.00 175.10 174.73 2byt s PRO 446 N -0.18 4.64 0.54 2.72 0.04 -1.26 -1.09 135.00 140.40 2byt s PRO 446 Ca -0.02 1.54 -0.21 0.00 0.04 0.00 0.00 61.00 62.34 2byt s PRO 446 Cb -0.14 -3.36 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 2byt s PRO 446 CO 0.03 0.11 1.28 0.08 0.04 0.00 0.00 177.00 178.55 2byt s VAL 447 N 0.13 2.45 0.52 -0.36 1.01 -0.61 -4.94 120.40 118.61 2byt s VAL 447 Ca 0.49 0.33 -0.23 0.00 0.00 0.00 0.00 61.98 62.57 2byt s VAL 447 Cb -0.25 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 2byt s VAL 447 CO 0.31 -0.02 1.37 -2.84 0.00 0.00 0.00 175.10 173.92 2byt s PRO 448 N -2.95 3.31 0.33 2.72 0.02 -1.26 -4.91 135.00 132.25 2byt s PRO 448 Ca 0.71 2.26 0.02 0.00 0.02 0.00 0.00 61.00 64.02 2byt s PRO 448 Cb -0.35 -2.37 0.57 0.00 0.02 0.00 0.00 34.50 32.37 2byt s PRO 448 CO 0.41 -1.07 1.91 1.49 -0.33 0.00 0.00 177.00 179.41 2byt h GLU 449 N 1.71 0.70 -0.01 5.54 4.81 -2.00 -2.66 114.58 122.67 2byt h GLU 449 Ca -0.51 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 2byt h GLU 449 Cb 1.29 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2byt h GLU 449 CO 0.58 0.60 -0.08 -0.85 -0.73 0.00 0.00 179.01 178.53 2byt n GLU 450 N -4.33 1.02 0.00 1.92 0.28 -1.26 -3.32 120.64 114.94 2byt n GLU 450 Ca 0.04 -0.43 0.12 0.00 -0.16 0.00 0.00 57.16 56.72 2byt n GLU 450 Cb 0.18 -1.49 0.18 0.00 1.43 0.00 0.00 31.44 31.73 2byt n GLU 450 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2byt n GLU 451 N -0.61 0.72 -1.74 3.44 2.13 -1.00 -4.93 120.64 118.63 2byt n GLU 451 Ca 0.17 -0.51 -0.33 0.00 0.66 0.00 0.00 57.16 57.15 2byt n GLU 451 Cb 0.28 -1.49 0.05 0.00 0.27 0.00 0.00 31.44 30.55 2byt n GLU 451 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2byt s LEU 452 N -2.63 3.40 0.00 4.31 1.43 -1.21 -4.69 118.68 119.28 2byt s LEU 452 Ca 0.18 2.05 -0.06 0.00 -1.03 0.00 0.00 54.13 55.27 2byt s LEU 452 Cb 0.18 -4.56 0.08 0.00 0.03 0.00 0.00 46.19 41.93 2byt s LEU 452 CO 0.61 -1.69 0.49 -0.81 0.23 0.00 0.00 176.35 175.18 2byt n PRO 453 N -2.40 -0.53 -3.53 1.29 -0.04 -1.26 -5.11 135.00 123.42 2byt n PRO 453 Ca 0.11 -0.76 -0.27 0.00 -0.04 0.00 0.00 63.50 62.54 2byt n PRO 453 Cb 0.52 -0.51 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 2byt n PRO 453 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2byt n VAL 454 N -2.71 1.17 -1.01 0.52 0.31 -1.26 -5.10 118.33 110.25 2byt n VAL 454 Ca 0.06 -4.68 -0.36 0.00 -0.01 0.00 0.00 64.34 59.35 2byt n VAL 454 Cb 0.21 -2.05 0.05 0.00 -0.91 0.00 0.00 33.84 31.15 2byt n VAL 454 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2byt n LEU 455 N 1.55 -4.43 -4.79 7.52 4.32 -1.26 -4.62 117.00 115.29 2byt n LEU 455 Ca 0.25 0.28 -0.39 0.00 -0.02 0.00 0.00 56.01 56.14 2byt n LEU 455 Cb 0.42 -0.87 -0.06 0.00 -1.62 0.00 0.00 43.42 41.29 2byt n LEU 455 CO 0.28 -5.35 0.24 -0.22 -1.22 0.00 0.00 177.39 171.13 2byt s LEU 456 N 5.68 4.47 0.15 2.23 0.20 -1.26 -4.97 118.68 125.18 2byt s LEU 456 Ca 0.46 1.15 -0.34 0.00 0.69 0.00 0.00 54.13 56.09 2byt s LEU 456 Cb -0.23 -2.84 -0.15 0.00 -0.43 0.00 0.00 46.19 42.54 2byt s LEU 456 CO 0.77 0.21 1.40 -2.65 -0.29 0.00 0.00 176.35 175.79 2byt n PRO 457 N 2.18 1.64 -2.39 0.98 -0.02 -1.26 -4.85 135.00 131.28 2byt n PRO 457 Ca -0.10 0.59 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 2byt n PRO 457 Cb 0.51 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 2byt n PRO 457 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2byt s ASP 458 N 0.50 6.44 -0.13 2.55 -1.08 -1.26 -4.99 116.67 118.70 2byt s ASP 458 Ca 0.78 0.88 0.02 0.00 -0.52 0.00 0.00 52.55 53.70 2byt s ASP 458 Cb -0.79 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.14 2byt s ASP 458 CO 0.45 -1.34 -0.18 -0.76 0.52 0.00 0.00 175.17 173.87 2byt s LEU 459 N 5.10 1.88 -0.21 -1.34 1.02 -1.26 -5.01 118.68 118.86 2byt s LEU 459 Ca 0.59 -0.51 0.08 0.00 0.02 0.00 0.00 54.13 54.31 2byt s LEU 459 Cb -0.14 -1.25 -0.21 0.00 0.02 0.00 0.00 46.19 44.60 2byt s LEU 459 CO 0.30 0.02 0.01 0.29 0.02 0.00 0.00 176.35 176.99 2byt n LYS 460 N 4.29 0.67 -1.57 1.70 4.76 -1.26 -4.89 118.16 121.87 2byt n LYS 460 Ca -0.19 0.11 -0.39 0.00 -2.87 0.00 0.00 58.31 54.96 2byt n LYS 460 Cb 0.51 -1.56 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 2byt n LYS 460 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2byt n ASP 461 N -3.06 2.69 -0.34 4.39 4.64 -1.26 -4.84 116.55 118.77 2byt n ASP 461 Ca -0.37 -0.18 0.03 0.00 -1.38 0.00 0.00 54.79 52.89 2byt n ASP 461 Cb 1.07 -1.56 0.18 0.00 -1.04 0.00 0.00 41.12 39.77 2byt n ASP 461 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 2byt h VAL 462 N 7.47 1.00 0.00 5.18 2.07 -1.96 0.10 116.25 130.10 2byt h VAL 462 Ca -0.31 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2byt h VAL 462 Cb 1.26 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2byt h VAL 462 CO 1.07 0.18 0.00 -0.62 0.02 0.00 0.00 177.57 178.23 2byt n GLU 463 N -4.61 0.50 -0.10 1.57 1.02 -1.26 -3.26 120.64 114.49 2byt n GLU 463 Ca 0.15 0.04 -0.21 0.00 -0.02 0.00 0.00 57.16 57.12 2byt n GLU 463 Cb 0.25 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.06 2byt n GLU 463 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2byt n ASP 464 N -1.12 1.86 -1.64 1.62 4.64 0.34 -4.31 116.55 117.94 2byt n ASP 464 Ca 0.13 0.43 -0.03 0.00 -1.38 0.00 0.00 54.79 53.94 2byt n ASP 464 Cb 0.11 -0.94 -0.04 0.00 -1.04 0.00 0.00 41.12 39.20 2byt n ASP 464 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 2byt n ILE 465 N -4.43 2.23 -5.00 5.18 -5.35 -1.09 -4.82 119.36 106.07 2byt n ILE 465 Ca -0.32 -0.75 -0.32 0.00 -0.27 0.00 0.00 62.75 61.09 2byt n ILE 465 Cb 0.66 -1.63 -0.15 0.00 -1.74 0.00 0.00 39.64 36.79 2byt n ILE 465 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2byt s ARG 466 N 0.30 2.88 0.11 6.28 3.52 -1.26 -4.74 118.95 126.04 2byt s ARG 466 Ca 0.18 -0.78 -0.31 0.00 -0.13 0.00 0.00 55.73 54.69 2byt s ARG 466 Cb 0.08 -2.39 -0.07 0.00 -1.56 0.00 0.00 34.95 31.01 2byt s ARG 466 CO 0.00 0.36 1.33 -1.25 -0.81 0.00 0.00 175.30 174.94 2byt s PRO 467 N -0.08 4.36 -0.03 5.12 0.04 -1.26 -4.79 135.00 138.36 2byt s PRO 467 Ca -0.04 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.04 2byt s PRO 467 Cb -0.14 -3.26 0.06 0.00 0.04 0.00 0.00 34.50 31.20 2byt s PRO 467 CO 0.04 -0.37 0.90 1.63 0.04 0.00 0.00 177.00 179.24 2byt n LYS 468 N 3.77 0.83 0.00 4.56 5.02 -1.26 -4.93 118.16 126.15 2byt n LYS 468 Ca 0.10 -1.30 0.00 0.00 -2.02 0.00 0.00 58.31 55.09 2byt n LYS 468 Cb 0.43 -0.81 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 2byt n LYS 468 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2byt n GLY 469 N -0.41 0.84 3.54 0.72 0.00 -1.26 -5.09 105.19 103.54 2byt n GLY 469 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 2byt n GLY 469 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2byt s LYS 470 N 0.00 1.83 -0.01 1.61 1.02 -1.26 -4.95 119.74 117.98 2byt s LYS 470 Ca 0.00 -2.04 -0.30 0.00 0.02 0.00 0.00 55.97 53.65 2byt s LYS 470 Cb 0.00 -1.22 -0.06 0.00 -0.52 0.00 0.00 37.83 36.03 2byt s LYS 470 CO 0.00 -0.16 1.47 0.45 -0.92 0.00 0.00 175.35 176.20 2byt s SER 471 N -3.61 6.79 0.38 2.83 0.15 -1.26 -4.82 113.70 114.15 2byt s SER 471 Ca 0.33 2.17 0.21 0.00 0.70 0.00 0.00 55.95 59.36 2byt s SER 471 Cb 0.09 -2.56 1.12 0.00 -1.71 0.00 0.00 66.02 62.96 2byt s SER 471 CO 0.16 -0.78 1.59 -0.65 1.20 0.00 0.00 173.24 174.75 2byt h PRO 472 N 8.20 0.00 0.00 5.44 0.11 -1.85 0.85 132.00 144.74 2byt h PRO 472 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2byt h PRO 472 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2byt h PRO 472 CO 0.92 0.00 -0.23 -0.07 -0.21 0.00 0.00 178.00 178.41 2byt h LEU 473 N 0.00 0.00 -1.92 2.35 3.38 -1.89 -3.30 115.31 113.93 2byt h LEU 473 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2byt h LEU 473 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2byt h LEU 473 CO 0.00 0.02 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 2byt n GLU 474 N -2.46 0.69 -0.30 1.13 -0.58 0.29 -2.46 120.64 116.96 2byt n GLU 474 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 2byt n GLU 474 Cb 0.47 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 2byt n GLU 474 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2byt n ALA 475 N 0.61 1.59 -3.52 0.62 0.00 -1.24 -5.00 120.51 113.58 2byt n ALA 475 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 53.44 52.58 2byt n ALA 475 Cb 0.33 -0.22 -0.11 0.00 0.00 0.00 0.00 19.45 19.46 2byt n ALA 475 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2byt s HIS 476 N 0.00 1.57 0.42 0.00 3.76 -1.03 -4.97 115.29 115.05 2byt s HIS 476 Ca 0.00 -2.45 0.19 0.00 -0.15 0.00 0.00 55.06 52.65 2byt s HIS 476 Cb 0.00 -1.32 1.13 0.00 1.11 0.00 0.00 32.58 33.50 2byt s HIS 476 CO 0.00 -0.77 1.83 -1.35 -0.85 0.00 0.00 174.74 173.59 2byt h PRO 477 N 5.80 0.36 0.00 8.40 0.11 -1.95 0.87 132.00 145.60 2byt h PRO 477 Ca 0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2byt h PRO 477 Cb 0.89 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2byt h PRO 477 CO 0.43 0.24 0.32 1.05 -0.21 0.00 0.00 178.00 179.83 2byt h GLU 478 N 0.37 0.00 0.00 1.05 9.09 -1.94 0.77 114.58 123.92 2byt h GLU 478 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 2byt h GLU 478 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 2byt h GLU 478 CO -0.20 0.00 -0.86 0.34 0.05 0.00 0.00 179.01 178.34 2byt n PHE 479 N -2.45 0.18 0.29 2.06 7.35 0.30 -4.70 117.46 120.49 2byt n PHE 479 Ca -0.01 0.08 0.12 0.00 -0.76 0.00 0.00 57.45 56.88 2byt n PHE 479 Cb 0.35 -0.53 0.21 0.00 0.35 0.00 0.00 39.48 39.86 2byt n PHE 479 CO 0.00 0.00 0.00 0.10 -0.76 0.00 0.00 176.76 176.10 2byt h TYR 480 N -0.96 0.00 0.00 -5.13 -0.00 -1.53 -3.39 116.97 105.97 2byt h TYR 480 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 58.73 58.32 2byt h TYR 480 Cb 0.86 0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.61 2byt h TYR 480 CO -0.37 0.00 2.59 0.39 -0.00 0.00 0.00 178.16 180.77 2byt n GLU 481 N -2.92 2.03 -3.12 0.10 1.02 0.24 -2.81 120.64 115.18 2byt n GLU 481 Ca 0.04 -1.51 -0.19 0.00 -0.02 0.00 0.00 57.16 55.48 2byt n GLU 481 Cb 0.51 -2.51 0.01 0.00 -0.02 0.00 0.00 31.44 29.43 2byt n GLU 481 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2byt n THR 482 N 4.41 0.00 -4.09 2.62 5.66 -1.25 -4.98 114.28 116.65 2byt n THR 482 Ca 0.45 -1.60 -0.22 0.00 -3.05 0.00 0.00 64.05 59.63 2byt n THR 482 Cb 0.16 -0.22 -0.04 0.00 -1.55 0.00 0.00 70.33 68.69 2byt n THR 482 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2byt s THR 483 N -1.98 4.58 -0.02 1.09 -4.23 -1.26 -1.23 115.64 112.59 2byt s THR 483 Ca 0.26 -1.31 -0.29 0.00 -1.18 0.00 0.00 61.69 59.17 2byt s THR 483 Cb -0.02 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 2byt s THR 483 CO 0.17 -0.32 0.95 0.00 -0.54 0.00 0.00 174.62 174.87 2byt n PRO 485 N 4.04 1.19 -0.03 0.00 -0.04 -1.26 -2.28 135.00 136.63 2byt n PRO 485 Ca 0.06 -0.29 -0.02 0.00 -0.04 0.00 0.00 63.50 63.20 2byt n PRO 485 Cb 0.51 -1.21 -0.01 0.00 -0.04 0.00 0.00 33.50 32.75 2byt n PRO 485 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2byt n LYS 486 N -0.39 0.16 -0.07 0.54 4.81 -1.26 -4.86 118.16 117.08 2byt n LYS 486 Ca 0.09 0.14 -0.05 0.00 -0.87 0.00 0.00 58.31 57.62 2byt n LYS 486 Cb 0.10 -0.85 -0.02 0.00 0.02 0.00 0.00 35.03 34.28 2byt n LYS 486 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2byt n GLY 488 N 1.64 0.09 0.46 0.00 0.00 -0.96 -5.05 105.19 101.37 2byt n GLY 488 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 2byt n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2byt n GLY 489 N 0.00 -0.07 3.70 -0.02 0.00 -1.26 -4.65 105.19 102.89 2byt n GLY 489 Ca 0.00 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 2byt n GLY 489 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2byt s PRO 490 N -2.98 4.33 0.00 1.61 0.04 -1.26 -1.37 135.00 135.38 2byt s PRO 490 Ca 0.08 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2byt s PRO 490 Cb -0.00 -3.44 -0.00 0.00 0.04 0.00 0.00 34.50 31.10 2byt s PRO 490 CO 0.06 -0.46 0.00 0.00 0.04 0.00 0.00 177.00 176.63 2byt n ALA 491 N 4.68 0.00 -3.66 8.56 0.00 -0.37 -4.42 120.51 125.30 2byt n ALA 491 Ca 0.12 -0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.47 2byt n ALA 491 Cb 0.44 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 2byt n ALA 491 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2byt s LYS 492 N -2.01 0.42 0.44 0.00 2.20 -0.99 -3.84 119.74 115.96 2byt s LYS 492 Ca 0.00 1.08 -0.24 0.00 -0.36 0.00 0.00 55.97 56.45 2byt s LYS 492 Cb 0.00 0.34 -0.08 0.00 -1.51 0.00 0.00 37.83 36.58 2byt s LYS 492 CO 0.00 -0.21 1.23 1.03 -0.36 0.00 0.00 175.35 177.03 2byt s ARG 493 N 2.31 3.82 0.08 4.03 0.52 -1.12 0.16 118.95 128.76 2byt s ARG 493 Ca -0.05 1.95 -0.31 0.00 -0.52 0.00 0.00 55.73 56.80 2byt s ARG 493 Cb -0.11 -2.56 -0.08 0.00 0.52 0.00 0.00 34.95 32.73 2byt s ARG 493 CO -0.15 -0.55 1.56 0.34 0.02 0.00 0.00 175.30 176.53 2byt s ASP 494 N -1.08 6.67 0.28 0.23 2.15 -0.23 -4.84 116.67 119.85 2byt s ASP 494 Ca 0.61 2.43 0.26 0.00 0.43 0.00 0.00 52.55 56.27 2byt s ASP 494 Cb -0.33 -2.57 0.86 0.00 -0.30 0.00 0.00 42.92 40.57 2byt s ASP 494 CO 0.41 -0.81 1.76 0.71 -0.17 0.00 0.00 175.17 177.06 2byt h THR 495 N 4.59 0.00 -4.29 1.71 1.35 -1.91 -3.42 112.91 110.94 2byt h THR 495 Ca -0.42 -0.47 -0.50 0.00 -0.55 0.00 0.00 66.41 64.48 2byt h THR 495 Cb 1.20 1.38 0.11 0.00 -1.73 0.00 0.00 68.15 69.11 2byt h THR 495 CO 0.91 0.00 0.34 -1.81 -0.25 0.00 0.00 175.52 174.71 2byt s ASP 496 N -4.74 4.73 0.12 5.36 1.01 -1.26 -4.58 116.67 117.30 2byt s ASP 496 Ca 0.07 1.48 0.06 0.00 0.71 0.00 0.00 52.55 54.87 2byt s ASP 496 Cb 0.10 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 2byt s ASP 496 CO 0.54 -1.84 -0.14 0.42 0.21 0.00 0.00 175.17 174.35 2byt s THR 497 N -3.07 1.35 0.16 -1.27 -4.23 -0.06 -3.21 115.64 105.31 2byt s THR 497 Ca 0.60 -1.71 -0.30 0.00 -1.18 0.00 0.00 61.69 59.10 2byt s THR 497 Cb -0.15 -1.53 -0.08 0.00 1.34 0.00 0.00 72.50 72.08 2byt s THR 497 CO 0.55 -0.40 1.33 -0.04 -0.54 0.00 0.00 174.62 175.52 2byt s MET 498 N -2.63 4.37 0.65 3.99 -1.94 0.25 0.96 119.30 124.94 2byt s MET 498 Ca 0.09 2.05 -0.18 0.00 -1.71 0.00 0.00 55.69 55.94 2byt s MET 498 Cb -0.05 -3.22 -0.01 0.00 2.01 0.00 0.00 34.83 33.56 2byt s MET 498 CO 0.03 -0.32 1.30 0.34 -0.01 0.00 0.00 175.02 176.36 2byt s ASP 499 N 0.65 4.59 0.19 3.03 -1.08 -0.54 -3.82 116.67 119.70 2byt s ASP 499 Ca 0.60 2.63 -0.19 0.00 -0.52 0.00 0.00 52.55 55.07 2byt s ASP 499 Cb -0.36 -2.62 0.15 0.00 -1.46 0.00 0.00 42.92 38.63 2byt s ASP 499 CO 0.35 -2.01 1.60 0.00 0.52 0.00 0.00 175.17 175.63 2byt h THR 500 N 0.54 0.24 -1.12 1.71 1.03 -1.93 -1.55 112.91 111.83 2byt h THR 500 Ca -0.51 0.00 0.32 0.00 -0.01 0.00 0.00 66.41 66.22 2byt h THR 500 Cb 1.34 0.24 -0.04 0.00 -1.07 0.00 0.00 68.15 68.61 2byt h THR 500 CO 0.53 0.00 0.95 -0.26 -0.01 0.00 0.00 175.52 176.73 2byt h PHE 501 N -0.13 0.00 0.26 0.00 0.04 -1.94 -1.22 116.94 113.95 2byt h PHE 501 Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 2byt h PHE 501 Cb 0.52 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 2byt h PHE 501 CO -0.58 0.00 -0.31 0.35 -0.60 0.00 0.00 178.31 177.17 2byt h PHE 502 N 0.00 -0.82 0.00 -0.55 3.04 -1.63 -1.85 116.94 115.14 2byt h PHE 502 Ca 0.53 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.49 2byt h PHE 502 Cb 2.42 0.33 0.00 0.00 2.56 0.00 0.00 35.95 41.26 2byt h PHE 502 CO 0.00 -0.43 0.00 0.38 -2.02 0.00 0.00 178.31 176.24 2byt h ASP 503 N -0.62 0.00 -0.45 0.41 3.04 -1.39 -2.27 116.42 115.15 2byt h ASP 503 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2byt h ASP 503 Cb 0.58 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.87 2byt h ASP 503 CO -0.09 0.00 0.00 -1.54 -2.04 0.00 0.00 179.24 175.57 2byt n SER 504 N -2.83 3.27 -0.47 4.15 3.41 -0.74 -3.92 113.62 116.49 2byt n SER 504 Ca 0.01 -2.25 0.08 0.00 -0.26 0.00 0.00 58.87 56.45 2byt n SER 504 Cb 0.28 -0.45 0.02 0.00 -0.26 0.00 0.00 64.21 63.80 2byt n SER 504 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2byt n SER 505 N 0.73 1.88 -0.09 4.04 7.64 -0.85 -4.58 113.62 122.40 2byt n SER 505 Ca 0.17 -1.44 0.00 0.00 1.01 0.00 0.00 58.87 58.61 2byt n SER 505 Cb 0.61 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 64.15 2byt n SER 505 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 2byt n TRP 506 N 0.19 0.00 -0.19 1.43 4.27 -1.26 -4.51 117.44 117.38 2byt n TRP 506 Ca 0.08 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.62 2byt n TRP 506 Cb 0.37 0.05 0.03 0.00 -1.36 0.00 0.00 31.31 30.40 2byt n TRP 506 CO 0.00 0.00 0.00 0.10 -2.29 0.00 0.00 177.69 175.50 2byt h TYR 507 N 0.00 0.73 -0.96 -2.67 -0.00 -1.81 -0.64 116.97 111.62 2byt h TYR 507 Ca 0.00 -0.01 0.28 0.00 -0.00 0.00 0.00 58.73 59.00 2byt h TYR 507 Cb 1.04 -0.24 -0.04 0.00 -0.00 0.00 0.00 36.73 37.50 2byt h TYR 507 CO -0.01 0.51 0.91 0.10 -0.00 0.00 0.00 178.16 179.67 2byt h TYR 508 N 0.74 0.00 0.12 0.10 -0.00 -1.91 1.14 116.97 117.15 2byt h TYR 508 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 58.73 58.65 2byt h TYR 508 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 2byt h TYR 508 CO -0.02 0.00 -1.31 -0.07 -0.00 0.00 0.00 178.16 176.76 2byt h LEU 509 N 0.00 0.40 -0.80 0.10 3.38 -1.50 -3.33 115.31 113.56 2byt h LEU 509 Ca 0.46 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2byt h LEU 509 Cb 2.26 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.85 2byt h LEU 509 CO -0.00 1.36 0.24 -0.09 0.09 0.00 0.00 178.44 180.03 2byt h ARG 510 N 0.07 1.13 -0.32 1.13 9.65 0.15 -2.48 114.38 123.71 2byt h ARG 510 Ca -0.16 -0.24 0.09 0.00 -1.10 0.00 0.00 59.98 58.58 2byt h ARG 510 Cb 1.98 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 30.38 2byt h ARG 510 CO 0.19 0.96 0.46 1.88 2.80 0.00 0.00 179.97 186.26 2byt h TYR 511 N 1.09 0.00 0.00 2.20 0.05 -1.55 0.30 116.97 119.06 2byt h TYR 511 Ca 0.24 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.99 2byt h TYR 511 Cb 0.29 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.03 2byt h TYR 511 CO 0.02 0.00 -0.12 1.79 -1.05 0.00 0.00 178.16 178.80 2byt h THR 512 N 0.00 0.27 -0.72 -2.88 1.35 -1.62 -3.37 112.91 105.94 2byt h THR 512 Ca 0.15 -1.00 -0.17 0.00 -0.55 0.00 0.00 66.41 64.85 2byt h THR 512 Cb 1.07 1.80 -0.15 0.00 -1.73 0.00 0.00 68.15 69.13 2byt h THR 512 CO -0.00 0.12 -0.48 -0.67 -0.25 0.00 0.00 175.52 174.24 2byt n ASP 513 N -3.21 -3.29 0.00 5.36 2.03 0.88 -4.69 116.55 113.64 2byt n ASP 513 Ca 0.01 -3.00 0.09 0.00 0.52 0.00 0.00 54.79 52.41 2byt n ASP 513 Cb 0.44 1.77 0.41 0.00 -0.72 0.00 0.00 41.12 43.02 2byt n ASP 513 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2byt n PRO 514 N 2.58 0.00 -2.05 -0.67 -0.04 -0.14 -3.80 135.00 130.88 2byt n PRO 514 Ca 0.15 0.17 -0.22 0.00 -0.04 0.00 0.00 63.50 63.57 2byt n PRO 514 Cb 0.58 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.57 2byt n PRO 514 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2byt n HIS 515 N -1.50 2.60 -3.60 0.54 8.25 -1.26 -5.03 115.22 115.22 2byt n HIS 515 Ca 0.05 -2.20 -0.37 0.00 -0.26 0.00 0.00 57.72 54.94 2byt n HIS 515 Cb 0.22 -0.33 -0.07 0.00 1.12 0.00 0.00 29.99 30.94 2byt n HIS 515 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2byt s ASN 516 N -3.60 6.50 -0.09 0.41 3.84 -1.25 -4.95 114.94 115.79 2byt s ASN 516 Ca 0.49 0.59 0.13 0.00 0.21 0.00 0.00 52.86 54.28 2byt s ASN 516 Cb 0.40 -2.17 0.28 0.00 -0.55 0.00 0.00 41.25 39.21 2byt s ASN 516 CO 0.03 0.21 1.20 -0.90 -2.79 0.00 0.00 177.10 174.85 2byt n ASP 517 N 2.91 2.73 -0.01 -4.21 5.75 -1.26 -4.58 116.55 117.88 2byt n ASP 517 Ca -0.14 -2.67 -0.02 0.00 -0.01 0.00 0.00 54.79 51.96 2byt n ASP 517 Cb 0.53 -0.33 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 2byt n ASP 517 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2byt n ARG 518 N -0.72 1.70 -3.92 0.11 5.12 -1.26 -5.08 116.66 112.61 2byt n ARG 518 Ca 0.13 0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.97 2byt n ARG 518 Cb 0.58 -1.07 -0.07 0.00 -1.16 0.00 0.00 32.46 30.74 2byt n ARG 518 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2byt s LEU 519 N -4.73 1.35 0.67 0.55 1.43 -1.26 -5.00 118.68 111.68 2byt s LEU 519 Ca -0.03 -0.77 0.37 0.00 -1.03 0.00 0.00 54.13 52.67 2byt s LEU 519 Cb 0.01 1.00 1.99 0.00 0.03 0.00 0.00 46.19 49.22 2byt s LEU 519 CO 0.09 -0.77 2.12 -0.65 0.23 0.00 0.00 176.35 177.37 2byt h PRO 520 N 2.71 0.00 0.00 1.29 0.11 -1.93 -3.43 132.00 130.75 2byt h PRO 520 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2byt h PRO 520 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2byt h PRO 520 CO 0.54 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.30 2byt n PHE 521 N -2.97 0.00 -2.89 0.65 1.16 -1.26 -4.66 117.46 107.49 2byt n PHE 521 Ca -0.02 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.14 2byt n PHE 521 Cb 0.24 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.07 2byt n PHE 521 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2byt s ASP 522 N 0.00 6.93 0.26 5.98 3.68 -1.26 -4.92 116.67 127.33 2byt s ASP 522 Ca 0.00 1.14 -0.02 0.00 2.13 0.00 0.00 52.55 55.80 2byt s ASP 522 Cb 0.00 -2.45 0.52 0.00 -1.45 0.00 0.00 42.92 39.54 2byt s ASP 522 CO 0.00 -0.42 1.72 -0.65 0.13 0.00 0.00 175.17 175.95 2byt h PRO 523 N 7.40 0.42 -0.93 4.34 0.11 -1.97 -0.52 132.00 140.86 2byt h PRO 523 Ca -0.28 -0.03 0.20 0.00 0.11 0.00 0.00 66.00 66.00 2byt h PRO 523 Cb 1.12 -0.10 -0.11 0.00 0.11 0.00 0.00 31.00 32.03 2byt h PRO 523 CO 0.84 0.28 0.49 1.49 -0.21 0.00 0.00 178.00 180.90 2byt h GLU 524 N 0.43 0.56 0.00 1.05 4.81 -1.91 -0.62 114.58 118.90 2byt h GLU 524 Ca 0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2byt h GLU 524 Cb 0.73 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2byt h GLU 524 CO -0.44 0.37 0.00 1.63 -0.73 0.00 0.00 179.01 179.84 2byt n LYS 525 N -4.91 0.00 -0.26 1.92 4.76 -0.25 -3.10 118.16 116.33 2byt n LYS 525 Ca 0.22 0.34 0.25 0.00 -2.87 0.00 0.00 58.31 56.26 2byt n LYS 525 Cb 0.60 -1.10 0.47 0.00 -1.84 0.00 0.00 35.03 33.16 2byt n LYS 525 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2byt n ALA 526 N -1.53 0.82 0.18 7.82 0.00 -0.91 0.17 120.51 127.06 2byt n ALA 526 Ca 0.00 0.81 0.03 0.00 0.00 0.00 0.00 53.44 54.28 2byt n ALA 526 Cb 0.00 -0.81 0.35 0.00 0.00 0.00 0.00 19.45 18.99 2byt n ALA 526 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2byt h ASN 527 N 0.00 0.00 0.95 0.00 2.35 -1.19 0.18 115.58 117.87 2byt h ASN 527 Ca 0.67 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.33 2byt h ASN 527 Cb 1.79 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.15 2byt h ASN 527 CO -0.61 0.40 -0.47 0.00 -1.65 0.00 0.00 177.43 175.10 2byt h ALA 528 N 1.60 0.89 0.00 -0.83 0.00 0.17 -3.36 119.26 117.73 2byt h ALA 528 Ca -0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 54.91 54.17 2byt h ALA 528 Cb 0.76 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2byt h ALA 528 CO 0.05 0.59 -2.14 0.91 0.00 0.00 0.00 179.25 178.66 2byt n TRP 529 N -3.49 0.00 -1.29 0.00 7.02 -1.12 -4.72 117.44 113.85 2byt n TRP 529 Ca 0.00 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.14 2byt n TRP 529 Cb 0.59 -0.76 0.11 0.00 -2.42 0.00 0.00 31.31 28.83 2byt n TRP 529 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 2byt s MET 530 N -2.39 1.89 0.86 -0.99 -1.94 0.62 -4.59 119.30 112.76 2byt s MET 530 Ca -0.27 1.81 -0.11 0.00 -1.71 0.00 0.00 55.69 55.41 2byt s MET 530 Cb 0.08 -1.80 0.16 0.00 2.01 0.00 0.00 34.83 35.28 2byt s MET 530 CO 0.43 -2.04 1.20 -1.25 -0.01 0.00 0.00 175.02 173.35 2byt s PRO 531 N -3.96 1.15 0.03 2.03 0.04 -1.26 -4.85 135.00 128.17 2byt s PRO 531 Ca 0.75 -0.55 -0.30 0.00 0.04 0.00 0.00 61.00 60.94 2byt s PRO 531 Cb -0.30 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 2byt s PRO 531 CO 0.48 -2.00 1.41 0.08 0.04 0.00 0.00 177.00 177.01 2byt s VAL 532 N -3.61 3.59 0.10 -0.36 1.01 0.14 -4.78 120.40 116.50 2byt s VAL 532 Ca 0.70 1.03 -0.10 0.00 0.00 0.00 0.00 61.98 63.61 2byt s VAL 532 Cb -0.05 -3.66 -0.20 0.00 0.00 0.00 0.00 36.38 32.47 2byt s VAL 532 CO 0.50 0.02 1.26 0.44 0.00 0.00 0.00 175.10 177.31 2byt h ASP 533 N 7.64 0.78 -3.24 3.32 5.19 -1.70 0.26 116.42 128.67 2byt h ASP 533 Ca -0.39 -0.60 -0.25 0.00 -0.62 0.00 0.00 57.03 55.17 2byt h ASP 533 Cb 1.19 -0.24 -0.33 0.00 0.18 0.00 0.00 39.33 40.13 2byt h ASP 533 CO 0.89 1.39 -0.58 -1.58 -3.12 0.00 0.00 179.24 176.24 2byt s GLN 534 N -3.39 0.10 -0.36 3.56 2.00 -1.13 -1.94 119.66 118.50 2byt s GLN 534 Ca -0.08 0.51 0.02 0.00 -2.00 0.00 0.00 55.36 53.80 2byt s GLN 534 Cb 0.08 -0.18 0.10 0.00 0.80 0.00 0.00 33.01 33.81 2byt s GLN 534 CO 0.90 -0.23 0.09 -0.47 -0.50 0.00 0.00 175.29 175.08 2byt s TYR 535 N 1.71 3.71 -0.08 1.67 5.04 0.06 -1.01 117.35 128.45 2byt s TYR 535 Ca -0.04 -2.83 -0.27 0.00 -2.44 0.00 0.00 57.07 51.49 2byt s TYR 535 Cb -0.12 -3.00 -0.03 0.00 0.35 0.00 0.00 41.96 39.17 2byt s TYR 535 CO -0.07 -0.96 0.86 0.42 -1.34 0.00 0.00 175.55 174.47 2byt s ILE 536 N 0.97 4.91 0.00 3.14 1.09 -0.20 -1.91 121.20 129.21 2byt s ILE 536 Ca 0.10 1.76 0.00 0.00 -1.10 0.00 0.00 60.65 61.41 2byt s ILE 536 Cb -0.20 -4.19 0.00 0.00 -1.06 0.00 0.00 42.46 37.01 2byt s ILE 536 CO -0.07 0.13 0.00 0.61 -0.10 0.00 0.00 174.94 175.51 2byt n GLY 537 N 3.14 1.56 3.84 6.18 0.00 -0.71 -2.59 105.19 116.62 2byt n GLY 537 Ca 0.04 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 2byt n GLY 537 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2byt s GLY 538 N -0.12 2.75 -0.10 -0.02 0.00 -1.26 -1.88 107.32 106.68 2byt s GLY 538 Ca 0.00 -0.66 0.18 0.00 0.00 0.00 0.00 44.72 44.24 2byt s GLY 538 CO 0.00 -2.09 0.36 -0.62 0.00 0.00 0.00 173.10 170.75 2byt n VAL 539 N -1.54 1.12 0.18 1.40 0.31 -1.26 -4.18 118.33 114.35 2byt n VAL 539 Ca -0.12 -0.75 0.08 0.00 -0.01 0.00 0.00 64.34 63.54 2byt n VAL 539 Cb 0.66 -0.50 0.43 0.00 -0.91 0.00 0.00 33.84 33.52 2byt n VAL 539 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2byt h GLU 540 N 0.00 0.00 -0.86 5.55 9.09 -2.00 0.20 114.58 126.56 2byt h GLU 540 Ca -0.34 0.00 -0.40 0.00 0.05 0.00 0.00 59.36 58.67 2byt h GLU 540 Cb 1.87 0.00 -0.24 0.00 -1.65 0.00 0.00 28.75 28.73 2byt h GLU 540 CO 0.03 0.00 0.48 0.72 0.05 0.00 0.00 179.01 180.29 2byt n HIS 541 N -2.15 2.72 0.19 2.06 8.25 -1.26 -4.64 115.22 120.40 2byt n HIS 541 Ca -0.01 -1.62 -0.08 0.00 -0.26 0.00 0.00 57.72 55.75 2byt n HIS 541 Cb 0.27 -0.83 -0.04 0.00 1.12 0.00 0.00 29.99 30.52 2byt n HIS 541 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2byt h ALA 542 N 1.54 -0.98 -0.37 -1.41 0.00 -0.87 -1.89 119.26 115.28 2byt h ALA 542 Ca 0.49 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 2byt h ALA 542 Cb 2.61 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 20.50 2byt h ALA 542 CO 0.93 -0.94 0.20 1.33 0.00 0.00 0.00 179.25 180.77 2byt n VAL 543 N -3.52 1.71 0.00 0.00 0.24 -1.26 -3.81 118.33 111.70 2byt n VAL 543 Ca -0.06 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 2byt n VAL 543 Cb 0.20 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 2byt n VAL 543 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2byt n LEU 544 N -0.06 0.00 -0.05 1.34 4.77 -1.21 -4.82 117.00 116.97 2byt n LEU 544 Ca 0.21 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.11 2byt n LEU 544 Cb 0.90 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.97 2byt n LEU 544 CO 0.22 0.00 0.90 -0.74 -1.33 0.00 0.00 177.39 176.44 2byt h HIS 545 N 0.00 0.10 0.00 -1.77 6.17 -1.82 0.50 115.15 118.33 2byt h HIS 545 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 2byt h HIS 545 Cb 0.00 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 29.92 2byt h HIS 545 CO 0.00 0.04 0.00 1.28 0.71 0.00 0.00 177.93 179.96 2byt n LEU 546 N -5.07 0.00 -0.01 0.26 4.77 -0.71 -0.21 117.00 116.03 2byt n LEU 546 Ca -0.02 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.21 2byt n LEU 546 Cb 0.10 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2byt n LEU 546 CO 0.28 -0.21 -0.20 -0.11 -1.33 0.00 0.00 177.39 175.83 2byt n LEU 547 N -1.27 0.89 -0.38 2.23 7.94 -0.55 -4.42 117.00 121.43 2byt n LEU 547 Ca 0.03 0.14 0.30 0.00 -1.11 0.00 0.00 56.01 55.37 2byt n LEU 547 Cb 0.06 -0.42 0.56 0.00 0.53 0.00 0.00 43.42 44.15 2byt n LEU 547 CO 0.05 -0.51 1.18 1.88 -1.11 0.00 0.00 177.39 178.89 2byt h TYR 548 N -0.29 0.70 -0.76 1.96 0.05 0.04 0.22 116.97 118.88 2byt h TYR 548 Ca 0.00 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 2byt h TYR 548 Cb 0.29 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 2byt h TYR 548 CO -0.12 -0.16 0.26 0.77 -1.05 0.00 0.00 178.16 177.85 2byt h SER 549 N 0.21 1.09 0.27 3.88 0.02 -0.79 -0.75 113.55 117.49 2byt h SER 549 Ca 0.75 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.49 2byt h SER 549 Cb 2.06 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.32 2byt h SER 549 CO -0.48 0.99 -0.13 0.03 -1.14 0.00 0.00 176.83 176.11 2byt h ARG 550 N 1.13 -0.35 -0.47 3.45 3.08 -0.78 -1.36 114.38 119.07 2byt h ARG 550 Ca 0.25 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.42 2byt h ARG 550 Cb 0.28 0.08 -0.10 0.00 0.08 0.00 0.00 29.97 30.31 2byt h ARG 550 CO -0.01 -0.01 -0.26 0.35 -1.07 0.00 0.00 179.97 178.97 2byt h PHE 551 N -0.78 -0.67 -0.83 3.04 3.57 -1.39 0.18 116.94 120.06 2byt h PHE 551 Ca -0.04 0.06 0.15 0.00 3.53 0.00 0.00 57.97 61.67 2byt h PHE 551 Cb 0.51 0.37 -0.10 0.00 2.79 0.00 0.00 35.95 39.52 2byt h PHE 551 CO 0.04 -0.33 0.40 0.74 -2.23 0.00 0.00 178.31 176.93 2byt h PHE 552 N -0.15 0.70 -0.25 0.41 -1.00 -1.06 -0.35 116.94 115.24 2byt h PHE 552 Ca 0.22 0.04 -0.07 0.00 2.81 0.00 0.00 57.97 60.96 2byt h PHE 552 Cb 0.50 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 2byt h PHE 552 CO -0.52 0.13 -0.11 1.15 -1.61 0.00 0.00 178.31 177.35 2byt h THR 553 N 0.56 1.30 -0.12 -1.55 2.02 0.38 -0.57 112.91 114.93 2byt h THR 553 Ca 0.46 -1.18 0.03 0.00 0.77 0.00 0.00 66.41 66.49 2byt h THR 553 Cb 0.69 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 2byt h THR 553 CO -0.39 0.37 -0.05 0.11 0.37 0.00 0.00 175.52 175.93 2byt h LYS 554 N 0.25 -0.04 -0.87 6.66 1.57 -0.11 0.73 116.57 124.76 2byt h LYS 554 Ca 0.06 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2byt h LYS 554 Cb 0.61 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 2byt h LYS 554 CO 0.03 -0.03 0.56 0.35 -0.57 0.00 0.00 179.45 179.80 2byt h PHE 555 N -0.04 1.06 0.00 -1.35 3.57 -1.06 0.41 116.94 119.53 2byt h PHE 555 Ca 0.07 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 2byt h PHE 555 Cb 0.14 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2byt h PHE 555 CO -0.18 0.62 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.20 2byt h LEU 556 N 1.10 0.00 -0.16 0.59 3.38 0.04 -2.38 115.31 117.88 2byt h LEU 556 Ca 0.34 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.24 2byt h LEU 556 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2byt h LEU 556 CO -0.11 0.25 -0.18 -0.74 0.09 0.00 0.00 178.44 177.75 2byt h HIS 557 N 0.00 0.48 0.00 1.13 2.76 0.32 -2.53 115.15 117.32 2byt h HIS 557 Ca -0.00 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 2byt h HIS 557 Cb 0.54 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.40 2byt h HIS 557 CO 0.00 0.79 0.00 -0.25 -1.30 0.00 0.00 177.93 177.17 2byt n ASP 558 N -4.51 0.00 -0.70 3.26 8.00 0.12 0.58 116.55 123.30 2byt n ASP 558 Ca -0.06 0.15 0.08 0.00 0.71 0.00 0.00 54.79 55.66 2byt n ASP 558 Cb 0.39 -0.25 0.11 0.00 -0.02 0.00 0.00 41.12 41.35 2byt n ASP 558 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2byt n LEU 559 N -1.25 2.59 -1.63 0.64 4.77 -1.06 -4.97 117.00 116.10 2byt n LEU 559 Ca 0.03 -1.31 -0.14 0.00 -0.03 0.00 0.00 56.01 54.56 2byt n LEU 559 Cb 0.05 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2byt n LEU 559 CO 0.05 0.54 -0.15 0.61 -1.33 0.00 0.00 177.39 177.10 2byt n GLY 560 N 0.87 -0.18 0.01 -0.72 0.00 0.20 -4.91 105.19 100.45 2byt n GLY 560 Ca 0.11 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.94 2byt n GLY 560 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2byt n MET 561 N -2.40 0.59 -3.69 1.61 2.81 -0.98 -4.90 117.12 110.17 2byt n MET 561 Ca -0.15 -0.17 -0.24 0.00 -1.81 0.00 0.00 57.70 55.32 2byt n MET 561 Cb 0.62 -1.46 -0.17 0.00 -0.71 0.00 0.00 33.22 31.49 2byt n MET 561 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2byt s VAL 562 N -3.34 0.17 0.17 2.03 1.01 -1.23 -4.40 120.40 114.80 2byt s VAL 562 Ca -0.07 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 2byt s VAL 562 Cb 0.13 -0.59 0.08 0.00 0.00 0.00 0.00 36.38 36.00 2byt s VAL 562 CO 0.81 -0.04 1.70 0.50 0.00 0.00 0.00 175.10 178.07 2byt h LYS 563 N 8.36 0.12 -7.21 2.72 3.64 -1.92 -3.39 116.57 118.88 2byt h LYS 563 Ca -0.16 -0.01 -0.40 0.00 -1.27 0.00 0.00 60.65 58.81 2byt h LYS 563 Cb 1.13 -0.03 0.20 0.00 -0.41 0.00 0.00 32.23 33.13 2byt h LYS 563 CO 0.27 0.08 0.01 0.14 -2.27 0.00 0.00 179.45 177.67 2byt s VAL 564 N -6.17 1.44 0.00 2.00 -7.23 -1.26 -5.01 120.40 104.17 2byt s VAL 564 Ca -0.13 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 2byt s VAL 564 Cb 0.14 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.81 2byt s VAL 564 CO 0.71 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.88 2byt n GLU 565 N -5.18 2.75 -3.86 4.82 1.02 -1.26 -4.79 120.64 114.13 2byt n GLU 565 Ca 0.12 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.99 2byt n GLU 565 Cb 0.59 -0.26 -0.17 0.00 -0.02 0.00 0.00 31.44 31.59 2byt n GLU 565 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2byt s GLU 566 N -0.42 1.28 0.22 3.49 0.41 -1.26 -4.33 118.70 118.09 2byt s GLU 566 Ca 0.00 -0.30 -0.03 0.00 -0.41 0.00 0.00 54.97 54.23 2byt s GLU 566 Cb 0.00 -1.67 0.22 0.00 -1.78 0.00 0.00 34.13 30.89 2byt s GLU 566 CO 0.00 -0.36 1.64 -1.00 -0.49 0.00 0.00 175.26 175.05 2byt h PRO 567 N 8.19 0.74 -4.55 0.39 0.13 -1.92 -3.41 132.00 131.56 2byt h PRO 567 Ca -0.25 -0.29 -0.70 0.00 -0.87 0.00 0.00 66.00 63.88 2byt h PRO 567 Cb 1.12 -0.04 -0.30 0.00 0.13 0.00 0.00 31.00 31.91 2byt h PRO 567 CO 0.37 0.90 -0.55 -0.06 -0.23 0.00 0.00 178.00 178.43 2byt s PHE 568 N -4.60 3.37 -0.02 1.56 0.08 -1.26 0.29 117.98 117.40 2byt s PHE 568 Ca -0.09 -1.76 -0.22 0.00 0.12 0.00 0.00 56.93 54.98 2byt s PHE 568 Cb 0.13 -2.76 -0.14 0.00 -0.57 0.00 0.00 43.02 39.68 2byt s PHE 568 CO 0.83 -0.85 0.98 0.37 -0.10 0.00 0.00 175.22 176.45 2byt h GLN 569 N 8.23 -0.46 -5.59 0.44 4.15 -1.18 -3.43 115.11 117.26 2byt h GLN 569 Ca -0.20 0.03 -0.66 0.00 0.77 0.00 0.00 58.65 58.59 2byt h GLN 569 Cb 1.07 0.10 -0.09 0.00 0.21 0.00 0.00 27.48 28.78 2byt h GLN 569 CO 0.68 -0.15 -0.50 0.20 -1.93 0.00 0.00 178.83 177.13 2byt s GLY 570 N -2.87 2.10 -0.46 2.39 0.00 -0.82 -4.33 107.32 103.33 2byt s GLY 570 Ca -0.12 -0.67 0.03 0.00 0.00 0.00 0.00 44.72 43.95 2byt s GLY 570 CO 0.44 -0.29 0.27 -2.27 0.00 0.00 0.00 173.10 171.24 2byt s LEU 571 N -0.72 2.86 -0.25 0.66 2.96 -1.26 -0.76 118.68 122.17 2byt s LEU 571 Ca 0.13 -2.78 -0.20 0.00 -0.22 0.00 0.00 54.13 51.06 2byt s LEU 571 Cb -0.12 -1.07 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 2byt s LEU 571 CO 0.03 -0.24 0.61 0.12 -1.32 0.00 0.00 176.35 175.54 2byt s PHE 572 N 0.15 3.28 0.57 5.38 2.19 -0.80 -4.41 117.98 124.35 2byt s PHE 572 Ca 0.19 0.79 -0.00 0.00 0.33 0.00 0.00 56.93 58.24 2byt s PHE 572 Cb -0.21 -2.82 0.04 0.00 -1.31 0.00 0.00 43.02 38.72 2byt s PHE 572 CO -0.03 -0.31 0.82 0.95 1.83 0.00 0.00 175.22 178.48 2byt s THR 573 N 2.45 2.71 0.23 0.12 -4.23 -1.26 -1.74 115.64 113.91 2byt s THR 573 Ca 0.25 -0.56 0.03 0.00 -1.18 0.00 0.00 61.69 60.24 2byt s THR 573 Cb -0.16 -3.04 -0.05 0.00 1.34 0.00 0.00 72.50 70.59 2byt s THR 573 CO 0.09 -0.03 0.00 -1.10 -0.54 0.00 0.00 174.62 173.03 2byt s GLN 574 N -4.85 1.33 0.29 3.99 -1.52 -0.79 -4.37 119.66 113.74 2byt s GLN 574 Ca 0.57 -1.68 0.07 0.00 -1.95 0.00 0.00 55.36 52.38 2byt s GLN 574 Cb -0.10 -0.58 -0.03 0.00 -0.22 0.00 0.00 33.01 32.07 2byt s GLN 574 CO 0.40 -0.11 0.26 0.20 -0.25 0.00 0.00 175.29 175.79 2byt s GLY 575 N -3.30 1.54 0.32 3.09 0.00 -0.12 -4.84 107.32 104.00 2byt s GLY 575 Ca 0.29 -1.49 -0.28 0.00 0.00 0.00 0.00 44.72 43.24 2byt s GLY 575 CO 0.09 -1.48 1.09 1.06 0.00 0.00 0.00 173.10 173.85 2byt s MET 576 N -3.93 4.49 0.31 2.90 1.00 -1.26 -4.73 119.30 118.08 2byt s MET 576 Ca 0.37 1.73 -0.21 0.00 0.00 0.00 0.00 55.69 57.57 2byt s MET 576 Cb -0.07 -3.00 -0.09 0.00 0.00 0.00 0.00 34.83 31.66 2byt s MET 576 CO 0.26 0.10 0.83 0.08 0.00 0.00 0.00 175.02 176.30 2byt s VAL 577 N -1.30 4.44 0.17 -6.03 1.01 -1.26 -2.90 120.40 114.53 2byt s VAL 577 Ca 0.48 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.93 2byt s VAL 577 Cb -0.29 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 2byt s VAL 577 CO 0.37 0.03 -0.04 -0.76 0.00 0.00 0.00 175.10 174.71 2byt s LEU 578 N -2.37 2.29 -0.02 3.92 1.02 -0.51 -2.50 118.68 120.51 2byt s LEU 578 Ca 0.50 -1.12 -0.12 0.00 0.02 0.00 0.00 54.13 53.42 2byt s LEU 578 Cb -0.15 -0.19 0.02 0.00 0.02 0.00 0.00 46.19 45.89 2byt s LEU 578 CO 0.20 -0.48 0.24 0.00 0.02 0.00 0.00 176.35 176.33 2byt s ALA 579 N -3.51 -0.61 0.18 4.21 0.00 -0.70 0.12 121.76 121.46 2byt s ALA 579 Ca 0.22 0.20 -0.31 0.00 0.00 0.00 0.00 51.96 52.06 2byt s ALA 579 Cb 0.05 0.04 -0.10 0.00 0.00 0.00 0.00 23.12 23.11 2byt s ALA 579 CO 0.03 -0.23 1.54 -1.58 0.00 0.00 0.00 175.76 175.52 2byt s TRP 580 N -1.21 3.06 0.12 0.00 0.52 -1.26 -0.83 118.94 119.34 2byt s TRP 580 Ca -0.13 0.72 0.08 0.00 0.02 0.00 0.00 56.10 56.80 2byt s TRP 580 Cb -0.06 -3.90 -0.04 0.00 -1.15 0.00 0.00 33.47 28.32 2byt s TRP 580 CO 0.03 -3.23 -0.15 0.99 0.02 0.00 0.00 176.95 174.61 2byt s THR 581 N 0.90 3.03 -0.30 2.01 2.01 0.35 -4.86 115.64 118.78 2byt s THR 581 Ca 0.68 -1.46 -0.26 0.00 0.31 0.00 0.00 61.69 60.96 2byt s THR 581 Cb -0.43 -2.41 0.01 0.00 0.01 0.00 0.00 72.50 69.68 2byt s THR 581 CO 0.34 0.08 0.92 -0.62 -0.69 0.00 0.00 174.62 174.65 2byt s ASP 582 N -2.23 6.82 -0.12 3.53 -1.08 -1.26 -1.60 116.67 120.73 2byt s ASP 582 Ca 0.20 0.91 0.16 0.00 -0.52 0.00 0.00 52.55 53.29 2byt s ASP 582 Cb -0.11 -2.47 0.58 0.00 -1.46 0.00 0.00 42.92 39.46 2byt s ASP 582 CO 0.12 -0.70 1.50 0.49 0.52 0.00 0.00 175.17 177.09 2byt n PHE 583 N 6.42 1.14 0.00 -5.34 3.72 -0.76 -5.02 117.46 117.62 2byt n PHE 583 Ca 0.08 -0.67 0.00 0.00 -0.05 0.00 0.00 57.45 56.80 2byt n PHE 583 Cb 0.47 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 2byt n PHE 583 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2byt n GLY 584 N 0.48 0.82 3.86 1.37 0.00 -1.26 -4.52 105.19 105.93 2byt n GLY 584 Ca 0.21 -2.14 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 2byt n GLY 584 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2byt s PRO 585 N -1.26 3.16 0.03 1.61 0.04 -1.26 -2.08 135.00 135.25 2byt s PRO 585 Ca 0.00 0.67 -0.12 0.00 0.04 0.00 0.00 61.00 61.59 2byt s PRO 585 Cb 0.00 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.52 2byt s PRO 585 CO 0.00 -0.86 0.26 0.14 0.04 0.00 0.00 177.00 176.57 2byt s VAL 586 N -3.22 0.09 -0.56 -0.36 -7.23 -0.52 -4.53 120.40 104.07 2byt s VAL 586 Ca 0.57 -0.74 -0.05 0.00 -1.81 0.00 0.00 61.98 59.95 2byt s VAL 586 Cb -0.12 -0.87 0.15 0.00 0.56 0.00 0.00 36.38 36.10 2byt s VAL 586 CO 0.53 -0.41 0.40 -1.61 -0.31 0.00 0.00 175.10 173.71 2byt s GLU 587 N -2.36 2.52 -0.06 4.82 2.02 -1.13 -4.31 118.70 120.20 2byt s GLU 587 Ca -0.06 -2.19 -0.28 0.00 0.02 0.00 0.00 54.97 52.46 2byt s GLU 587 Cb -0.02 -3.82 -0.03 0.00 0.10 0.00 0.00 34.13 30.37 2byt s GLU 587 CO -0.02 -1.17 0.90 0.08 0.02 0.00 0.00 175.26 175.07 2byt s VAL 588 N 0.56 4.89 -0.31 2.63 1.01 -1.26 -2.61 120.40 125.32 2byt s VAL 588 Ca 0.12 1.85 -0.02 0.00 0.00 0.00 0.00 61.98 63.94 2byt s VAL 588 Cb -0.21 -4.23 0.10 0.00 0.00 0.00 0.00 36.38 32.05 2byt s VAL 588 CO -0.04 0.13 0.12 -0.70 0.00 0.00 0.00 175.10 174.62 2byt s GLU 589 N 1.34 0.52 7.14 2.72 2.56 -0.05 -5.03 118.70 127.91 2byt s GLU 589 Ca 0.46 -0.92 0.00 0.00 0.00 0.00 0.00 54.97 54.51 2byt s GLU 589 Cb -0.19 -1.64 0.00 0.00 2.00 0.00 0.00 34.13 34.30 2byt s GLU 589 CO 0.21 -1.02 0.00 0.41 -0.56 0.00 0.00 175.26 174.30 2byt n GLY 590 N 4.90 2.41 0.83 -1.50 0.00 -1.26 -1.83 105.19 108.73 2byt n GLY 590 Ca -0.02 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.93 2byt n GLY 590 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2byt n SER 591 N 9.75 3.45 -4.53 1.61 3.41 -1.26 -4.95 113.62 121.10 2byt n SER 591 Ca 0.00 -2.40 -0.34 0.00 -0.26 0.00 0.00 58.87 55.87 2byt n SER 591 Cb 0.00 -0.38 -0.12 0.00 -0.26 0.00 0.00 64.21 63.46 2byt n SER 591 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2byt s VAL 592 N -1.72 3.76 -0.53 -3.33 1.01 -0.76 -3.27 120.40 115.56 2byt s VAL 592 Ca 0.33 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.92 2byt s VAL 592 Cb 0.22 -2.59 0.13 0.00 0.00 0.00 0.00 36.38 34.14 2byt s VAL 592 CO 0.14 0.55 0.28 -0.69 0.00 0.00 0.00 175.10 175.38 2byt s VAL 593 N -0.23 2.46 0.44 2.92 1.01 -0.82 -0.87 120.40 125.31 2byt s VAL 593 Ca 0.03 -3.31 -0.24 0.00 0.00 0.00 0.00 61.98 58.46 2byt s VAL 593 Cb -0.13 -2.70 -0.08 0.00 0.00 0.00 0.00 36.38 33.48 2byt s VAL 593 CO 0.03 -0.83 1.24 -0.60 0.00 0.00 0.00 175.10 174.93 2byt s ARG 594 N -0.32 3.79 -0.25 2.72 3.52 -1.07 -1.93 118.95 125.41 2byt s ARG 594 Ca 0.18 1.98 -0.00 0.00 -0.13 0.00 0.00 55.73 57.75 2byt s ARG 594 Cb -0.24 -2.55 0.04 0.00 -1.56 0.00 0.00 34.95 30.64 2byt s ARG 594 CO -0.01 -0.58 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.30 2byt s LEU 595 N -2.81 3.29 0.49 -0.88 1.43 -0.95 -2.84 118.68 116.40 2byt s LEU 595 Ca 0.61 -1.08 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 2byt s LEU 595 Cb -0.34 -1.62 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 2byt s LEU 595 CO 0.42 -0.16 1.24 -2.16 0.23 0.00 0.00 176.35 175.92 2byt s PRO 596 N 1.24 3.53 0.41 1.29 0.04 -1.26 -4.69 135.00 135.56 2byt s PRO 596 Ca -0.03 1.94 0.18 0.00 0.04 0.00 0.00 61.00 63.13 2byt s PRO 596 Cb -0.18 -2.35 1.08 0.00 0.04 0.00 0.00 34.50 33.10 2byt s PRO 596 CO -0.05 -0.79 1.83 0.93 0.04 0.00 0.00 177.00 178.96 2byt h GLU 597 N 1.82 0.40 -0.87 4.56 4.39 -1.97 -1.77 114.58 121.14 2byt h GLU 597 Ca -0.50 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.24 2byt h GLU 597 Cb 1.27 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.76 2byt h GLU 597 CO 0.59 0.26 0.54 -1.35 -1.16 0.00 0.00 179.01 177.89 2byt h PRO 598 N 0.41 0.94 0.11 2.33 0.11 -1.97 -2.24 132.00 131.69 2byt h PRO 598 Ca 0.50 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.55 2byt h PRO 598 Cb 1.25 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2byt h PRO 598 CO -0.20 0.62 -0.05 1.15 -0.21 0.00 0.00 178.00 179.31 2byt h THR 599 N 0.97 0.00 -1.24 -1.15 2.02 -1.58 -3.22 112.91 108.71 2byt h THR 599 Ca 0.38 -0.39 0.43 0.00 0.77 0.00 0.00 66.41 67.61 2byt h THR 599 Cb 0.19 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.47 2byt h THR 599 CO -0.18 0.00 0.79 -1.14 0.37 0.00 0.00 175.52 175.36 2byt n ARG 600 N -3.45 -0.03 -0.06 6.66 0.63 -0.82 0.13 116.66 119.71 2byt n ARG 600 Ca -0.02 1.15 -0.13 0.00 -0.92 0.00 0.00 57.85 57.94 2byt n ARG 600 Cb 0.06 -2.26 -0.06 0.00 0.45 0.00 0.00 32.46 30.65 2byt n ARG 600 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2byt h ILE 601 N 0.00 1.32 0.00 5.15 2.04 -1.51 -2.73 117.51 121.78 2byt h ILE 601 Ca 0.80 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 2byt h ILE 601 Cb 2.56 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 40.38 2byt h ILE 601 CO -0.44 0.37 -0.23 0.03 0.00 0.00 0.00 178.15 177.88 2byt h ARG 602 N 0.06 0.00 0.00 2.37 3.08 0.11 -1.04 114.38 118.96 2byt h ARG 602 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2byt h ARG 602 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2byt h ARG 602 CO 0.03 0.23 0.00 1.28 -1.07 0.00 0.00 179.97 180.44 2byt n LEU 603 N -3.76 0.02 -3.71 3.04 4.77 -0.43 -4.93 117.00 112.00 2byt n LEU 603 Ca -0.01 0.50 -0.30 0.00 -0.03 0.00 0.00 56.01 56.17 2byt n LEU 603 Cb 0.33 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 2byt n LEU 603 CO 0.34 -0.06 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.63 2byt n GLU 604 N -1.52 -1.68 -4.18 3.23 1.02 -0.40 -5.01 120.64 112.11 2byt n GLU 604 Ca 0.06 0.46 -0.11 0.00 -0.02 0.00 0.00 57.16 57.56 2byt n GLU 604 Cb 0.30 -4.25 -0.10 0.00 -0.02 0.00 0.00 31.44 27.37 2byt n GLU 604 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2byt s ILE 605 N -3.53 0.24 -0.10 -3.67 -4.36 -1.22 -5.08 121.20 103.48 2byt s ILE 605 Ca 0.40 -1.93 -0.16 0.00 -0.26 0.00 0.00 60.65 58.70 2byt s ILE 605 Cb -0.14 -2.09 -0.27 0.00 1.25 0.00 0.00 42.46 41.20 2byt s ILE 605 CO 0.86 -0.44 0.57 1.55 0.24 0.00 0.00 174.94 177.72 2byt h PRO 606 N 2.81 0.25 -6.73 0.37 0.13 -1.95 -3.45 132.00 123.43 2byt h PRO 606 Ca -0.36 -0.43 -0.57 0.00 -0.87 0.00 0.00 66.00 63.78 2byt h PRO 606 Cb 1.20 0.16 0.11 0.00 0.13 0.00 0.00 31.00 32.60 2byt h PRO 606 CO 0.60 1.20 0.45 0.39 -0.23 0.00 0.00 178.00 180.41 2byt n GLU 607 N -3.92 1.98 -0.30 0.86 1.02 -1.26 -4.90 120.64 114.12 2byt n GLU 607 Ca -0.25 0.70 0.08 0.00 -0.02 0.00 0.00 57.16 57.67 2byt n GLU 607 Cb 0.90 -2.27 0.14 0.00 -0.02 0.00 0.00 31.44 30.19 2byt n GLU 607 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2byt n SER 608 N 0.72 1.92 -3.15 1.62 7.64 -1.26 -4.93 113.62 116.17 2byt n SER 608 Ca 0.06 -3.16 0.05 0.00 1.01 0.00 0.00 58.87 56.82 2byt n SER 608 Cb 0.36 -0.43 -0.01 0.00 -1.01 0.00 0.00 64.21 63.13 2byt n SER 608 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2byt s ALA 609 N -2.60 -2.99 0.00 -0.43 0.00 -1.26 -2.25 121.76 112.24 2byt s ALA 609 Ca 0.31 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.73 2byt s ALA 609 Cb 0.28 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.93 2byt s ALA 609 CO -0.01 -1.62 0.00 1.28 0.00 0.00 0.00 175.76 175.42 2byt n LEU 610 N 5.38 0.00 -4.10 0.00 4.77 -0.81 -4.94 117.00 117.30 2byt n LEU 610 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2byt n LEU 610 Cb 0.54 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 2byt n LEU 610 CO -0.07 -0.01 -0.18 -0.94 -1.33 0.00 0.00 177.39 174.87 2byt s SER 611 N -0.32 0.17 0.19 -1.43 1.04 -1.26 -1.95 113.70 110.14 2byt s SER 611 Ca 0.00 -1.14 0.14 0.00 0.48 0.00 0.00 55.95 55.43 2byt s SER 611 Cb 0.00 0.37 0.74 0.00 0.10 0.00 0.00 66.02 67.23 2byt s SER 611 CO 0.00 -0.83 1.43 0.18 0.98 0.00 0.00 173.24 175.01 2byt n LEU 612 N -0.19 0.35 -0.07 2.42 4.77 -1.20 -2.41 117.00 120.67 2byt n LEU 612 Ca -0.04 0.65 -0.07 0.00 -0.03 0.00 0.00 56.01 56.53 2byt n LEU 612 Cb 0.64 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2byt n LEU 612 CO 0.29 -0.74 -0.25 -0.33 -1.33 0.00 0.00 177.39 175.04 2byt h GLU 613 N 0.00 0.00 -1.00 3.23 5.08 -1.95 -3.23 114.58 116.72 2byt h GLU 613 Ca 0.00 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.65 2byt h GLU 613 Cb 0.04 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2byt h GLU 613 CO 0.00 0.22 0.84 -0.44 -1.00 0.00 0.00 179.01 178.62 2byt h ASP 614 N -1.00 0.00 -0.04 1.42 3.32 -1.87 0.71 116.42 118.96 2byt h ASP 614 Ca -0.05 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 2byt h ASP 614 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2byt h ASP 614 CO -0.03 0.00 -0.21 0.58 -1.72 0.00 0.00 179.24 177.86 2byt h VAL 615 N 0.00 1.47 0.53 -1.35 2.07 -1.62 -2.62 116.25 114.73 2byt h VAL 615 Ca 0.47 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 2byt h VAL 615 Cb 2.14 2.45 0.01 0.00 -1.52 0.00 0.00 31.29 34.37 2byt h VAL 615 CO -0.00 0.47 -0.26 -0.09 0.02 0.00 0.00 177.57 177.71 2byt h ARG 616 N -0.35 -0.69 -0.28 1.57 2.43 0.26 -0.07 114.38 117.25 2byt h ARG 616 Ca -0.01 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 2byt h ARG 616 Cb 0.87 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 2byt h ARG 616 CO 0.04 -0.43 0.38 0.87 -1.51 0.00 0.00 179.97 179.32 2byt h LYS 617 N -0.78 0.00 -0.40 0.20 1.57 -0.86 0.45 116.57 116.76 2byt h LYS 617 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2byt h LYS 617 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2byt h LYS 617 CO 0.12 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.00 2byt n MET 618 N -3.54 2.45 -2.28 3.15 0.00 -0.99 -4.96 117.12 110.95 2byt n MET 618 Ca 0.04 -2.20 -0.01 0.00 0.00 0.00 0.00 57.70 55.53 2byt n MET 618 Cb 0.52 -1.51 0.00 0.00 0.00 0.00 0.00 33.22 32.23 2byt n MET 618 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2byt n GLY 619 N 1.49 0.60 3.22 3.17 0.00 0.16 -5.02 105.19 108.80 2byt n GLY 619 Ca 0.19 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 2byt n GLY 619 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2byt s ALA 620 N -3.02 1.22 0.01 4.61 0.00 -0.06 -4.41 121.76 120.11 2byt s ALA 620 Ca 0.01 -1.62 -0.06 0.00 0.00 0.00 0.00 51.96 50.30 2byt s ALA 620 Cb -0.01 0.89 -0.00 0.00 0.00 0.00 0.00 23.12 24.00 2byt s ALA 620 CO 0.04 -0.45 0.10 -1.83 0.00 0.00 0.00 175.76 173.62 2byt s GLU 621 N -4.02 0.46 -0.28 0.00 -1.05 -0.40 -3.95 118.70 109.46 2byt s GLU 621 Ca 0.29 -0.49 -0.13 0.00 -0.15 0.00 0.00 54.97 54.49 2byt s GLU 621 Cb 0.07 0.19 -0.04 0.00 -0.44 0.00 0.00 34.13 33.90 2byt s GLU 621 CO 0.06 -0.11 0.27 -0.51 0.95 0.00 0.00 175.26 175.92 2byt s LEU 622 N -1.50 4.06 0.34 1.83 1.43 -1.26 0.10 118.68 123.68 2byt s LEU 622 Ca -0.14 0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.13 2byt s LEU 622 Cb -0.07 -2.24 -0.06 0.00 0.03 0.00 0.00 46.19 43.85 2byt s LEU 622 CO 0.00 -0.12 -0.03 -0.13 0.23 0.00 0.00 176.35 176.31 2byt s ARG 623 N 1.89 1.99 0.27 1.70 0.52 0.27 -4.88 118.95 120.70 2byt s ARG 623 Ca 0.10 -1.80 -0.23 0.00 -0.52 0.00 0.00 55.73 53.29 2byt s ARG 623 Cb -0.16 -1.86 -0.09 0.00 0.52 0.00 0.00 34.95 33.36 2byt s ARG 623 CO 0.11 0.15 0.83 -2.14 0.02 0.00 0.00 175.30 174.27 2byt s PRO 624 N -3.67 4.42 0.46 3.54 0.02 -1.26 0.91 135.00 139.42 2byt s PRO 624 Ca 0.34 1.10 0.05 0.00 0.02 0.00 0.00 61.00 62.50 2byt s PRO 624 Cb 0.00 -2.85 -0.03 0.00 0.02 0.00 0.00 34.50 31.63 2byt s PRO 624 CO 0.18 0.35 0.10 -1.58 -0.33 0.00 0.00 177.00 175.72 2byt s HIS 625 N -1.55 2.19 -0.67 6.54 2.46 0.21 -4.82 115.29 119.65 2byt s HIS 625 Ca 0.46 -0.77 0.23 0.00 0.47 0.00 0.00 55.06 55.45 2byt s HIS 625 Cb -0.18 -1.78 0.90 0.00 -0.13 0.00 0.00 32.58 31.39 2byt s HIS 625 CO 0.22 0.19 1.70 0.39 -2.47 0.00 0.00 174.74 174.78 2byt n GLU 626 N -1.24 0.16 -0.02 2.88 4.71 -1.26 -2.36 120.64 123.51 2byt n GLU 626 Ca -0.09 0.31 0.13 0.00 -0.01 0.00 0.00 57.16 57.50 2byt n GLU 626 Cb 0.66 -1.76 0.43 0.00 -1.01 0.00 0.00 31.44 29.76 2byt n GLU 626 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 2byt n ASP 627 N -2.06 1.80 0.00 1.62 3.85 -1.26 -4.92 116.55 115.58 2byt n ASP 627 Ca 0.04 -1.62 0.00 0.00 -0.71 0.00 0.00 54.79 52.50 2byt n ASP 627 Cb 0.28 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 2byt n ASP 627 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2byt n GLY 628 N 1.20 0.57 3.53 6.12 0.00 -1.00 -5.06 105.19 110.56 2byt n GLY 628 Ca 0.18 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 2byt n GLY 628 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2byt s THR 629 N -2.00 1.88 0.12 2.61 -4.23 -1.26 -4.90 115.64 107.86 2byt s THR 629 Ca 0.00 -2.09 -0.24 0.00 -1.18 0.00 0.00 61.69 58.18 2byt s THR 629 Cb 0.00 -2.73 -0.07 0.00 1.34 0.00 0.00 72.50 71.03 2byt s THR 629 CO 0.00 -0.13 0.71 -0.76 -0.54 0.00 0.00 174.62 173.90 2byt s LEU 630 N -3.58 4.56 -0.05 4.79 1.43 -1.26 -0.62 118.68 123.95 2byt s LEU 630 Ca 0.33 1.51 0.05 0.00 -1.03 0.00 0.00 54.13 54.99 2byt s LEU 630 Cb 0.06 -3.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 2byt s LEU 630 CO 0.16 0.21 -0.21 -1.00 0.23 0.00 0.00 176.35 175.74 2byt s HIS 631 N -1.00 2.03 -0.53 0.29 3.76 0.26 -1.44 115.29 118.67 2byt s HIS 631 Ca 0.34 -0.59 -0.25 0.00 -0.15 0.00 0.00 55.06 54.41 2byt s HIS 631 Cb -0.22 -1.35 0.04 0.00 1.11 0.00 0.00 32.58 32.16 2byt s HIS 631 CO 0.24 -0.18 0.97 -1.17 -0.85 0.00 0.00 174.74 173.75 2byt s LEU 632 N -0.08 3.98 0.21 0.89 0.20 -0.88 -0.57 118.68 122.43 2byt s LEU 632 Ca -0.03 -0.14 0.00 0.00 0.69 0.00 0.00 54.13 54.66 2byt s LEU 632 Cb -0.12 -3.00 -0.04 0.00 -0.43 0.00 0.00 46.19 42.60 2byt s LEU 632 CO 0.03 -1.21 0.39 0.26 -0.29 0.00 0.00 176.35 175.53 2byt s TRP 633 N 4.04 3.48 -0.19 5.38 0.52 0.29 -1.84 118.94 130.62 2byt s TRP 633 Ca 0.34 0.29 -0.29 0.00 0.02 0.00 0.00 56.10 56.46 2byt s TRP 633 Cb -0.11 -1.81 0.12 0.00 -1.15 0.00 0.00 33.47 30.52 2byt s TRP 633 CO 0.22 0.37 0.98 0.21 0.02 0.00 0.00 176.95 178.75 2byt s LYS 634 N -3.48 0.61 0.79 4.98 2.20 -0.63 -1.27 119.74 122.95 2byt s LYS 634 Ca 0.38 0.29 -0.11 0.00 -0.36 0.00 0.00 55.97 56.17 2byt s LYS 634 Cb -0.11 0.29 0.07 0.00 -1.51 0.00 0.00 37.83 36.58 2byt s LYS 634 CO 0.30 -0.16 1.12 -2.14 -0.36 0.00 0.00 175.35 174.10 2byt s PRO 635 N -0.72 1.99 -0.02 4.03 0.02 -1.26 0.13 135.00 139.17 2byt s PRO 635 Ca -0.01 1.34 -0.29 0.00 0.02 0.00 0.00 61.00 62.06 2byt s PRO 635 Cb -0.02 -1.85 0.10 0.00 0.02 0.00 0.00 34.50 32.75 2byt s PRO 635 CO 0.00 -1.87 0.87 0.00 -0.33 0.00 0.00 177.00 175.67 2byt s ALA 636 N -2.70 -1.82 0.10 -1.55 0.00 -0.01 -4.71 121.76 111.09 2byt s ALA 636 Ca 0.64 1.10 -0.36 0.00 0.00 0.00 0.00 51.96 53.35 2byt s ALA 636 Cb -0.20 0.21 -0.16 0.00 0.00 0.00 0.00 23.12 22.97 2byt s ALA 636 CO 0.54 -0.60 1.43 0.28 0.00 0.00 0.00 175.76 177.41 2byt n VAL 637 N 0.02 0.01 -2.45 0.00 0.31 -1.26 -1.71 118.33 113.25 2byt n VAL 637 Ca -0.10 -0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.84 2byt n VAL 637 Cb 0.61 -1.07 -0.03 0.00 -0.91 0.00 0.00 33.84 32.43 2byt n VAL 637 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 2byt s MET 638 N 0.70 3.35 0.12 5.55 1.75 -1.04 -4.78 119.30 124.95 2byt s MET 638 Ca 0.83 -0.90 0.03 0.00 -1.25 0.00 0.00 55.69 54.40 2byt s MET 638 Cb -0.86 -5.25 -0.04 0.00 2.84 0.00 0.00 34.83 31.52 2byt s MET 638 CO 0.44 -2.46 -0.08 -1.54 -0.65 0.00 0.00 175.02 170.73 2byt s SER 639 N 5.61 1.42 0.14 1.11 1.04 -1.26 -4.71 113.70 117.04 2byt s SER 639 Ca 0.51 -1.02 -0.25 0.00 0.48 0.00 0.00 55.95 55.67 2byt s SER 639 Cb -0.02 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 2byt s SER 639 CO -0.07 -0.41 1.62 0.50 0.98 0.00 0.00 173.24 175.85 2byt h LYS 640 N 2.88 -0.36 -0.62 4.02 3.64 -1.97 -1.52 116.57 122.64 2byt h LYS 640 Ca -0.36 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.15 2byt h LYS 640 Cb 1.18 0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 32.96 2byt h LYS 640 CO 0.64 -0.24 -0.33 1.03 -2.27 0.00 0.00 179.45 178.28 2byt h SER 641 N -0.37 -1.16 0.40 4.20 0.87 -1.96 0.68 113.55 116.20 2byt h SER 641 Ca 0.10 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 2byt h SER 641 Cb 0.53 0.58 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2byt h SER 641 CO -0.35 -0.30 0.00 0.29 -0.53 0.00 0.00 176.83 175.94 2byt n LYS 642 N -5.44 0.13 -3.36 2.24 4.76 -0.76 -4.90 118.16 110.84 2byt n LYS 642 Ca 0.05 0.47 -0.13 0.00 -2.87 0.00 0.00 58.31 55.83 2byt n LYS 642 Cb 0.36 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 2byt n LYS 642 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2byt n GLY 643 N -0.54 -1.18 0.00 0.72 0.00 0.24 -4.90 105.19 99.52 2byt n GLY 643 Ca 0.01 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.67 2byt n GLY 643 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2byt n ASN 644 N -1.88 0.00 -4.66 1.61 0.23 -1.24 -4.98 115.26 104.34 2byt n ASN 644 Ca -0.12 -1.00 -0.32 0.00 -0.53 0.00 0.00 54.58 52.61 2byt n ASN 644 Cb 0.59 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.44 2byt n ASN 644 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2byt n GLY 645 N 0.00 -0.38 3.04 4.83 0.00 -1.26 -4.87 105.19 106.55 2byt n GLY 645 Ca 0.00 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 2byt n GLY 645 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2byt s VAL 646 N -2.51 3.69 0.12 1.61 1.01 -1.26 -5.01 120.40 118.04 2byt s VAL 646 Ca 0.68 -3.69 -0.34 0.00 0.00 0.00 0.00 61.98 58.62 2byt s VAL 646 Cb -0.24 -3.36 -0.18 0.00 0.00 0.00 0.00 36.38 32.60 2byt s VAL 646 CO 0.57 -0.99 0.96 0.23 0.00 0.00 0.00 175.10 175.87 2byt n MET 647 N 2.60 0.44 0.38 2.72 2.81 -1.26 -2.38 117.12 122.43 2byt n MET 647 Ca 0.16 0.16 -0.15 0.00 -1.81 0.00 0.00 57.70 56.06 2byt n MET 647 Cb 0.36 -1.53 -0.07 0.00 -0.71 0.00 0.00 33.22 31.27 2byt n MET 647 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2byt h VAL 648 N 2.36 0.00 -0.34 2.03 2.07 -1.87 -2.67 116.25 117.82 2byt h VAL 648 Ca -0.42 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.00 2byt h VAL 648 Cb 1.40 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2byt h VAL 648 CO 0.65 0.00 -0.25 1.23 0.02 0.00 0.00 177.57 179.22 2byt h GLY 649 N -1.10 -1.81 0.00 2.17 0.00 -1.90 0.15 103.07 100.58 2byt h GLY 649 Ca -0.10 0.94 0.00 0.00 0.00 0.00 0.00 47.33 48.17 2byt h GLY 649 CO 0.16 -0.55 0.00 -1.05 0.00 0.00 0.00 176.54 175.11 2byt n PRO 650 N -3.92 0.00 -0.20 4.80 -0.02 -1.25 -2.00 135.00 132.41 2byt n PRO 650 Ca 0.00 0.51 -0.02 0.00 -2.02 0.00 0.00 63.50 61.98 2byt n PRO 650 Cb 0.12 -1.18 0.01 0.00 -0.02 0.00 0.00 33.50 32.43 2byt n PRO 650 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2byt n PHE 651 N -1.48 -0.03 -0.30 6.00 7.35 -1.00 0.16 117.46 128.15 2byt n PHE 651 Ca 0.00 0.63 0.05 0.00 -0.76 0.00 0.00 57.45 57.36 2byt n PHE 651 Cb 0.00 -0.66 0.25 0.00 0.35 0.00 0.00 39.48 39.42 2byt n PHE 651 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2byt h VAL 652 N 0.00 1.04 -0.13 -2.13 2.07 -0.39 0.66 116.25 117.37 2byt h VAL 652 Ca 0.16 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2byt h VAL 652 Cb 0.28 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2byt h VAL 652 CO -0.50 0.18 -0.01 0.11 0.02 0.00 0.00 177.57 177.38 2byt h LYS 653 N 1.00 0.23 0.00 1.57 1.79 0.22 -2.84 116.57 118.55 2byt h LYS 653 Ca 0.40 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.74 2byt h LYS 653 Cb 0.25 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2byt h LYS 653 CO -0.16 0.49 -0.23 1.49 -1.08 0.00 0.00 179.45 179.96 2byt h GLU 654 N -0.04 0.00 0.00 3.15 4.57 -0.85 -3.44 114.58 117.96 2byt h GLU 654 Ca 0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2byt h GLU 654 Cb 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2byt h GLU 654 CO 0.01 0.23 0.00 1.04 -1.18 0.00 0.00 179.01 179.11 2byt n GLN 655 N -3.31 0.00 -3.67 1.92 1.13 0.22 -5.08 117.38 108.60 2byt n GLN 655 Ca 0.01 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.06 2byt n GLN 655 Cb 0.48 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.82 2byt n GLN 655 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2byt s GLY 656 N 0.00 -0.34 0.00 1.08 0.00 -1.08 -4.70 107.32 102.28 2byt s GLY 656 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.23 2byt s GLY 656 CO 0.00 0.09 0.17 0.00 0.00 0.00 0.00 173.10 173.36 2byt n ALA 657 N -0.47 -0.08 -0.52 3.20 0.00 -1.26 -3.30 120.51 118.09 2byt n ALA 657 Ca -0.07 0.00 0.43 0.00 0.00 0.00 0.00 53.44 53.80 2byt n ALA 657 Cb 0.62 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.73 2byt n ALA 657 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2byt n ASP 658 N -1.72 0.00 -0.08 0.00 8.00 -1.26 0.27 116.55 121.77 2byt n ASP 658 Ca 0.00 0.88 -0.13 0.00 0.71 0.00 0.00 54.79 56.25 2byt n ASP 658 Cb 0.00 -0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 40.65 2byt n ASP 658 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2byt h ILE 659 N 0.00 1.32 -0.04 0.53 2.04 -1.92 -2.05 117.51 117.39 2byt h ILE 659 Ca 0.76 -1.43 0.02 0.00 1.00 0.00 0.00 64.86 65.21 2byt h ILE 659 Cb 3.38 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 41.15 2byt h ILE 659 CO -0.01 0.45 -0.09 0.00 0.00 0.00 0.00 178.15 178.50 2byt h ALA 660 N 0.66 -0.05 -2.30 1.87 0.00 0.39 -1.87 119.26 117.96 2byt h ALA 660 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2byt h ALA 660 Cb 0.82 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2byt h ALA 660 CO 0.06 -0.56 0.00 0.54 0.00 0.00 0.00 179.25 179.29 2byt n ARG 661 N -5.21 0.00 -0.27 0.00 1.74 -0.88 -0.96 116.66 111.07 2byt n ARG 661 Ca -0.05 0.38 0.23 0.00 -0.77 0.00 0.00 57.85 57.64 2byt n ARG 661 Cb 0.14 -1.12 0.43 0.00 -1.02 0.00 0.00 32.46 30.89 2byt n ARG 661 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2byt n ILE 662 N -1.17 -0.35 -0.06 0.55 2.08 -0.78 0.73 119.36 120.37 2byt n ILE 662 Ca 0.00 1.70 -0.10 0.00 0.56 0.00 0.00 62.75 64.91 2byt n ILE 662 Cb 0.00 -2.70 -0.04 0.00 -0.75 0.00 0.00 39.64 36.16 2byt n ILE 662 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 2byt h THR 663 N 0.00 1.11 0.06 1.39 2.02 -0.55 -1.38 112.91 115.56 2byt h THR 663 Ca 0.65 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.52 2byt h THR 663 Cb 1.66 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 2byt h THR 663 CO -0.67 0.11 -0.03 0.40 0.37 0.00 0.00 175.52 175.71 2byt h ILE 664 N 0.25 1.22 0.04 3.11 2.04 0.21 -2.91 117.51 121.48 2byt h ILE 664 Ca 0.08 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 2byt h ILE 664 Cb 0.07 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2byt h ILE 664 CO -0.01 0.25 -0.02 -0.07 0.00 0.00 0.00 178.15 178.30 2byt h LEU 665 N -0.55 -0.05 -0.00 1.44 3.38 -1.06 -3.21 115.31 115.26 2byt h LEU 665 Ca -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2byt h LEU 665 Cb 0.48 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2byt h LEU 665 CO 0.01 0.02 0.00 0.33 0.09 0.00 0.00 178.44 178.89 2byt n PHE 666 N -5.09 0.02 -0.13 1.13 7.35 -0.52 -3.66 117.46 116.55 2byt n PHE 666 Ca -0.08 0.01 -0.04 0.00 -0.76 0.00 0.00 57.45 56.58 2byt n PHE 666 Cb 0.08 -0.51 0.04 0.00 0.35 0.00 0.00 39.48 39.44 2byt n PHE 666 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2byt h ALA 667 N 2.86 0.44 -1.83 3.13 0.00 -1.51 -3.47 119.26 118.87 2byt h ALA 667 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2byt h ALA 667 Cb 0.44 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2byt h ALA 667 CO 0.00 -0.35 0.09 0.00 0.00 0.00 0.00 179.25 178.99 2byt n ALA 668 N -2.52 -0.42 -2.32 0.00 0.00 -1.26 -4.97 120.51 109.02 2byt n ALA 668 Ca 0.04 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 2byt n ALA 668 Cb 0.21 0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 2byt n ALA 668 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2byt s PRO 669 N -2.01 4.34 0.47 0.00 0.02 -1.26 -4.50 135.00 132.05 2byt s PRO 669 Ca 0.04 1.86 0.35 0.00 0.02 0.00 0.00 61.00 63.26 2byt s PRO 669 Cb -0.01 -3.48 1.50 0.00 0.02 0.00 0.00 34.50 32.53 2byt s PRO 669 CO 0.01 -0.46 1.62 -1.00 -0.33 0.00 0.00 177.00 176.84 2byt h PRO 670 N 7.40 0.05 0.00 5.54 0.13 -1.87 0.97 132.00 144.23 2byt h PRO 670 Ca -0.38 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.65 2byt h PRO 670 Cb 1.18 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2byt h PRO 670 CO 0.87 0.04 -0.45 1.05 -0.23 0.00 0.00 178.00 179.28 2byt h GLU 671 N 0.06 0.00 -7.62 0.86 4.11 -1.90 -0.30 114.58 109.79 2byt h GLU 671 Ca 0.84 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 59.80 2byt h GLU 671 Cb 2.82 0.00 0.10 0.00 0.50 0.00 0.00 28.75 32.17 2byt h GLU 671 CO -0.33 0.45 0.41 -0.80 0.07 0.00 0.00 179.01 178.81 2byt s ASN 672 N -6.72 4.47 -0.23 3.06 -0.87 0.34 -3.66 114.94 111.32 2byt s ASN 672 Ca -0.01 0.78 -0.12 0.00 -1.57 0.00 0.00 52.86 51.94 2byt s ASN 672 Cb 0.13 -1.27 -0.05 0.00 -0.02 0.00 0.00 41.25 40.04 2byt s ASN 672 CO 0.72 -1.93 0.21 -1.83 -2.57 0.00 0.00 177.10 171.70 2byt s GLU 673 N -5.58 4.09 0.64 -0.60 -1.05 -1.26 -3.33 118.70 111.61 2byt s GLU 673 Ca 0.62 -0.17 -0.02 0.00 -0.15 0.00 0.00 54.97 55.25 2byt s GLU 673 Cb -0.11 -3.54 0.06 0.00 -0.44 0.00 0.00 34.13 30.10 2byt s GLU 673 CO 0.49 0.03 0.90 0.00 0.95 0.00 0.00 175.26 177.63 2byt s MET 674 N 1.15 2.22 -0.37 -4.83 0.23 -1.14 -4.95 119.30 111.61 2byt s MET 674 Ca 0.10 -0.68 0.00 0.00 -1.03 0.00 0.00 55.69 54.08 2byt s MET 674 Cb -0.14 -2.35 0.12 0.00 -1.53 0.00 0.00 34.83 30.94 2byt s MET 674 CO 0.05 -1.05 0.18 0.08 -2.03 0.00 0.00 175.02 172.25 2byt s VAL 675 N -3.01 0.95 -0.10 5.16 1.01 -1.26 -1.43 120.40 121.73 2byt s VAL 675 Ca 0.60 -1.92 -0.36 0.00 0.00 0.00 0.00 61.98 60.31 2byt s VAL 675 Cb -0.09 -1.69 -0.13 0.00 0.00 0.00 0.00 36.38 34.47 2byt s VAL 675 CO 0.42 -0.82 1.78 1.87 0.00 0.00 0.00 175.10 178.34 2byt n TRP 676 N 4.18 2.21 -4.12 5.22 -0.00 0.33 -4.88 117.44 120.37 2byt n TRP 676 Ca 0.05 0.20 -0.09 0.00 -0.00 0.00 0.00 57.50 57.66 2byt n TRP 676 Cb 0.38 -2.58 -0.10 0.00 -0.00 0.00 0.00 31.31 29.01 2byt n TRP 676 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2byt s THR 677 N 3.35 0.37 0.11 5.87 -4.23 -1.26 -4.38 115.64 115.47 2byt s THR 677 Ca 0.92 -1.86 -0.27 0.00 -1.18 0.00 0.00 61.69 59.30 2byt s THR 677 Cb -0.80 -1.63 -0.08 0.00 1.34 0.00 0.00 72.50 71.33 2byt s THR 677 CO 0.53 -0.90 1.63 -0.08 -0.54 0.00 0.00 174.62 175.26 2byt h GLU 678 N 3.06 -0.45 -0.93 3.99 4.81 -2.00 -1.87 114.58 121.19 2byt h GLU 678 Ca -0.35 0.03 0.21 0.00 -0.13 0.00 0.00 59.36 59.13 2byt h GLU 678 Cb 1.15 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 30.52 2byt h GLU 678 CO 0.65 -0.30 0.48 0.93 -0.73 0.00 0.00 179.01 180.04 2byt h GLU 679 N -0.46 0.50 -0.10 1.92 3.07 -1.99 -1.39 114.58 116.13 2byt h GLU 679 Ca 0.04 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2byt h GLU 679 Cb 0.50 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2byt h GLU 679 CO -0.18 0.33 0.04 0.78 -1.40 0.00 0.00 179.01 178.58 2byt h GLY 680 N 0.52 0.16 0.49 -3.84 0.00 -1.75 -1.86 103.07 96.79 2byt h GLY 680 Ca 0.57 -0.09 0.11 0.00 0.00 0.00 0.00 47.33 47.92 2byt h GLY 680 CO -0.48 0.08 0.54 -2.08 0.00 0.00 0.00 176.54 174.61 2byt h VAL 681 N -0.01 0.91 0.49 4.60 2.07 -0.80 -1.29 116.25 122.21 2byt h VAL 681 Ca 0.03 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2byt h VAL 681 Cb 0.18 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 2byt h VAL 681 CO -0.00 0.16 -0.42 1.56 0.02 0.00 0.00 177.57 178.89 2byt h GLN 682 N 0.88 -0.87 -1.01 1.57 4.20 -1.06 -1.50 115.11 117.31 2byt h GLN 682 Ca 0.44 0.06 0.26 0.00 0.06 0.00 0.00 58.65 59.47 2byt h GLN 682 Cb 0.42 0.20 -0.12 0.00 0.30 0.00 0.00 27.48 28.27 2byt h GLN 682 CO -0.26 -0.58 0.61 0.78 -0.67 0.00 0.00 178.83 178.71 2byt h GLY 683 N -0.90 1.83 1.04 3.46 0.00 -0.45 0.78 103.07 108.83 2byt h GLY 683 Ca -0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2byt h GLY 683 CO -0.02 -0.26 0.38 0.00 0.00 0.00 0.00 176.54 176.63 2byt h ALA 684 N 1.73 1.06 0.43 3.60 0.00 -0.62 0.22 119.26 125.67 2byt h ALA 684 Ca 0.65 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 2byt h ALA 684 Cb 1.34 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2byt h ALA 684 CO -0.47 0.64 -0.21 -1.49 0.00 0.00 0.00 179.25 177.72 2byt h TRP 685 N 1.17 -0.54 0.35 0.00 4.06 0.15 -0.81 115.95 120.33 2byt h TRP 685 Ca 0.28 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.21 2byt h TRP 685 Cb 0.14 0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 2byt h TRP 685 CO 0.02 -0.33 -0.38 0.00 -3.56 0.00 0.00 178.44 174.19 2byt h ARG 686 N -0.59 -0.71 -0.69 0.49 3.08 -0.84 0.16 114.38 115.28 2byt h ARG 686 Ca -0.06 0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.18 2byt h ARG 686 Cb 0.45 0.16 -0.13 0.00 0.08 0.00 0.00 29.97 30.53 2byt h ARG 686 CO 0.10 -0.47 -0.19 0.35 -1.07 0.00 0.00 179.97 178.69 2byt h PHE 687 N -0.73 -0.43 -0.57 3.04 3.57 -0.57 -0.20 116.94 121.04 2byt h PHE 687 Ca -0.04 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2byt h PHE 687 Cb 0.64 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 2byt h PHE 687 CO -0.23 -0.31 0.22 -0.07 -2.23 0.00 0.00 178.31 175.69 2byt h LEU 688 N -0.02 0.76 0.60 0.59 3.38 -0.80 -2.63 115.31 117.19 2byt h LEU 688 Ca 0.33 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2byt h LEU 688 Cb 0.52 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.08 2byt h LEU 688 CO -0.72 0.69 -0.29 0.78 0.09 0.00 0.00 178.44 178.99 2byt h ASN 689 N 0.82 -0.68 -1.29 -0.43 2.35 0.10 -2.32 115.58 114.13 2byt h ASN 689 Ca 0.19 -0.01 0.38 0.00 -0.55 0.00 0.00 56.30 56.31 2byt h ASN 689 Cb 0.17 0.18 -0.08 0.00 0.05 0.00 0.00 38.32 38.64 2byt h ASN 689 CO -0.02 -0.29 0.89 0.03 -1.65 0.00 0.00 177.43 176.39 2byt h ARG 690 N -1.16 0.11 -0.38 0.81 3.08 -1.22 1.97 114.38 117.59 2byt h ARG 690 Ca -0.08 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 2byt h ARG 690 Cb 0.65 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 2byt h ARG 690 CO 0.14 0.07 -0.22 0.82 -1.07 0.00 0.00 179.97 179.71 2byt h ILE 691 N 0.11 1.28 0.88 2.04 2.04 -1.35 -2.57 117.51 119.95 2byt h ILE 691 Ca 0.68 -1.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 2byt h ILE 691 Cb 2.36 1.34 0.01 0.00 -0.74 0.00 0.00 36.82 39.79 2byt h ILE 691 CO -0.16 0.45 -0.42 0.22 0.00 0.00 0.00 178.15 178.24 2byt h TYR 692 N 0.62 -1.10 -0.28 1.37 5.03 0.36 -3.13 116.97 119.83 2byt h TYR 692 Ca 0.08 -0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.40 2byt h TYR 692 Cb 0.78 0.36 -0.05 0.00 1.55 0.00 0.00 36.73 39.37 2byt h TYR 692 CO 0.06 -0.68 -0.34 0.00 -1.32 0.00 0.00 178.16 175.87 2byt h ARG 693 N -1.27 -0.22 -1.32 1.82 3.08 -1.11 0.43 114.38 115.80 2byt h ARG 693 Ca -0.12 0.01 0.47 0.00 0.07 0.00 0.00 59.98 60.41 2byt h ARG 693 Cb 0.91 0.05 -0.15 0.00 0.08 0.00 0.00 29.97 30.86 2byt h ARG 693 CO 0.20 -0.14 0.83 -0.09 -1.07 0.00 0.00 179.97 179.70 2byt h ARG 694 N -0.22 0.01 0.00 0.04 9.65 -1.53 0.62 114.38 122.94 2byt h ARG 694 Ca 0.05 -0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.67 2byt h ARG 694 Cb 0.35 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.89 2byt h ARG 694 CO -0.38 0.01 -1.74 0.28 2.80 0.00 0.00 179.97 180.94 2byt n VAL 695 N -4.81 1.39 0.05 0.20 0.31 -0.22 -3.74 118.33 111.51 2byt n VAL 695 Ca 0.40 -0.76 -0.10 0.00 -0.01 0.00 0.00 64.34 63.86 2byt n VAL 695 Cb 1.52 -0.82 0.02 0.00 -0.91 0.00 0.00 33.84 33.65 2byt n VAL 695 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2byt h ALA 696 N 1.16 0.56 0.00 3.52 0.00 0.44 -1.40 119.26 123.55 2byt h ALA 696 Ca -0.28 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2byt h ALA 696 Cb 1.89 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2byt h ALA 696 CO 0.06 0.77 0.00 1.49 0.00 0.00 0.00 179.25 181.57 2byt h GLU 697 N 0.27 0.00 -0.03 0.00 4.81 -0.35 -3.05 114.58 116.23 2byt h GLU 697 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2byt h GLU 697 Cb 1.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.72 2byt h GLU 697 CO 0.13 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.16 2byt n ASP 698 N -2.67 1.59 -0.21 1.04 8.00 -1.19 -4.77 116.55 118.34 2byt n ASP 698 Ca 0.02 -1.48 -0.02 0.00 0.71 0.00 0.00 54.79 54.02 2byt n ASP 698 Cb 0.31 -0.02 0.05 0.00 -0.02 0.00 0.00 41.12 41.44 2byt n ASP 698 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2byt h ARG 699 N 0.36 -0.06 0.64 -1.24 2.43 -1.14 1.04 114.38 116.41 2byt h ARG 699 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2byt h ARG 699 Cb 0.28 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2byt h ARG 699 CO 0.00 -0.04 -0.31 1.49 -1.51 0.00 0.00 179.97 179.60 2byt h GLU 700 N -0.06 -0.83 -0.95 0.20 4.81 -1.86 -0.32 114.58 115.57 2byt h GLU 700 Ca 0.29 0.06 0.23 0.00 -0.13 0.00 0.00 59.36 59.81 2byt h GLU 700 Cb 0.51 0.19 -0.12 0.00 0.63 0.00 0.00 28.75 29.95 2byt h GLU 700 CO -0.67 -0.52 0.50 0.00 -0.73 0.00 0.00 179.01 177.59 2byt h ALA 701 N -1.08 1.62 -0.15 2.92 0.00 -1.75 0.20 119.26 121.04 2byt h ALA 701 Ca -0.09 0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 2byt h ALA 701 Cb 0.69 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2byt h ALA 701 CO 0.14 -0.30 -0.72 -0.07 0.00 0.00 0.00 179.25 178.31 2byt h LEU 702 N 0.50 0.76 -2.41 0.00 3.38 0.12 -3.21 115.31 114.45 2byt h LEU 702 Ca 0.60 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2byt h LEU 702 Cb 1.14 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2byt h LEU 702 CO -0.50 1.25 0.13 -0.07 0.09 0.00 0.00 178.44 179.35 2byt h LEU 703 N 0.46 0.00 -3.08 1.67 3.38 0.88 -1.08 115.31 117.53 2byt h LEU 703 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2byt h LEU 703 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2byt h LEU 703 CO 0.14 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 176.83 2byt n GLU 704 N -3.55 3.14 -4.26 1.13 0.28 -1.13 -4.99 120.64 111.28 2byt n GLU 704 Ca -0.01 -2.55 -0.27 0.00 -0.16 0.00 0.00 57.16 54.17 2byt n GLU 704 Cb 0.23 -1.64 -0.09 0.00 1.43 0.00 0.00 31.44 31.37 2byt n GLU 704 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2byt s THR 705 N -1.84 3.35 -0.05 3.84 2.01 -0.41 -5.11 115.64 117.43 2byt s THR 705 Ca 0.37 -1.53 -0.03 0.00 0.31 0.00 0.00 61.69 60.81 2byt s THR 705 Cb 0.25 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 2byt s THR 705 CO 0.16 -0.07 0.12 -0.55 -0.69 0.00 0.00 174.62 173.58 2byt s SER 706 N -2.75 6.03 -0.24 3.53 0.15 -1.26 -4.99 113.70 114.16 2byt s SER 706 Ca 0.25 0.30 0.10 0.00 0.70 0.00 0.00 55.95 57.30 2byt s SER 706 Cb -0.09 -1.85 0.66 0.00 -1.71 0.00 0.00 66.02 63.03 2byt s SER 706 CO 0.16 0.33 1.60 0.61 1.20 0.00 0.00 173.24 177.13 2byt n GLY 707 N 1.49 3.05 3.78 9.45 0.00 -1.26 -4.15 105.19 117.55 2byt n GLY 707 Ca -0.15 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 2byt n GLY 707 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2byt s VAL 708 N -2.54 4.95 -0.05 1.61 1.01 -1.26 -4.71 120.40 119.41 2byt s VAL 708 Ca 0.46 -0.00 -0.31 0.00 0.00 0.00 0.00 61.98 62.13 2byt s VAL 708 Cb 0.36 -3.13 0.11 0.00 0.00 0.00 0.00 36.38 33.72 2byt s VAL 708 CO 0.12 0.60 1.07 0.72 0.00 0.00 0.00 175.10 177.62 2byt s PHE 709 N -0.87 -0.19 -0.15 5.22 -0.71 -1.26 -4.90 117.98 115.12 2byt s PHE 709 Ca 0.13 0.07 -0.21 0.00 -1.04 0.00 0.00 56.93 55.89 2byt s PHE 709 Cb -0.12 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 2byt s PHE 709 CO 0.03 -0.42 0.60 -1.14 -1.34 0.00 0.00 175.22 172.95 2byt s GLN 710 N -2.79 4.29 0.04 1.99 0.74 -1.26 -5.00 119.66 117.67 2byt s GLN 710 Ca 0.09 0.62 -0.15 0.00 0.05 0.00 0.00 55.36 55.97 2byt s GLN 710 Cb -0.00 -3.51 -0.06 0.00 1.10 0.00 0.00 33.01 30.53 2byt s GLN 710 CO -0.05 -0.07 1.24 0.00 -0.55 0.00 0.00 175.29 175.86 2byt h ALA 711 N 7.14 -0.75 -0.34 1.58 0.00 -2.00 -3.13 119.26 121.75 2byt h ALA 711 Ca -0.36 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2byt h ALA 711 Cb 1.16 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 2byt h ALA 711 CO 0.76 -0.81 0.14 0.93 0.00 0.00 0.00 179.25 180.27 2byt h GLU 712 N -0.33 0.47 -0.36 0.00 3.07 -2.03 -2.85 114.58 112.56 2byt h GLU 712 Ca -0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2byt h GLU 712 Cb 0.33 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2byt h GLU 712 CO -0.12 0.39 0.00 0.00 -1.40 0.00 0.00 179.01 177.88 2byt n ALA 713 N -2.48 1.52 -2.90 3.43 0.00 -1.18 -4.71 120.51 114.18 2byt n ALA 713 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.14 2byt n ALA 713 Cb 0.13 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 2byt n ALA 713 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2byt s LEU 714 N 0.00 4.32 -0.07 0.00 1.43 -1.08 -4.97 118.68 118.31 2byt s LEU 714 Ca 0.00 0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 53.09 2byt s LEU 714 Cb 0.00 -2.72 0.09 0.00 0.03 0.00 0.00 46.19 43.59 2byt s LEU 714 CO 0.00 0.23 0.78 -1.83 0.23 0.00 0.00 176.35 175.75 2byt s GLU 715 N -2.15 0.92 1.17 1.70 -1.05 -1.26 -4.72 118.70 113.31 2byt s GLU 715 Ca 0.30 0.19 0.00 0.00 -0.15 0.00 0.00 54.97 55.31 2byt s GLU 715 Cb -0.13 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 2byt s GLU 715 CO 0.22 -0.30 0.00 0.41 0.95 0.00 0.00 175.26 176.54 2byt n GLY 716 N 0.79 -1.46 0.37 -3.83 0.00 -1.26 -3.85 105.19 95.95 2byt n GLY 716 Ca -0.16 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.38 2byt n GLY 716 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2byt h LYS 717 N 0.00 0.70 0.27 1.61 1.79 -1.99 -2.02 116.57 116.93 2byt h LYS 717 Ca 0.00 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2byt h LYS 717 Cb 0.00 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 2byt h LYS 717 CO 0.00 0.47 -0.23 -0.44 -1.08 0.00 0.00 179.45 178.17 2byt h ASP 718 N 0.73 -0.61 -1.23 0.86 5.19 -1.99 0.58 116.42 119.94 2byt h ASP 718 Ca 0.47 0.04 0.38 0.00 -0.62 0.00 0.00 57.03 57.30 2byt h ASP 718 Cb 0.72 0.19 -0.12 0.00 0.18 0.00 0.00 39.33 40.31 2byt h ASP 718 CO -0.23 -0.31 0.79 -0.09 -3.12 0.00 0.00 179.24 176.29 2byt h ARG 719 N -0.48 0.17 0.34 3.56 2.43 -1.50 0.17 114.38 119.07 2byt h ARG 719 Ca -0.03 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2byt h ARG 719 Cb 0.41 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2byt h ARG 719 CO -0.01 0.11 -0.16 1.49 -1.51 0.00 0.00 179.97 179.89 2byt h GLU 720 N 0.17 -0.44 -0.88 0.20 4.81 -0.69 -2.80 114.58 114.96 2byt h GLU 720 Ca 0.75 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 60.23 2byt h GLU 720 Cb 2.25 0.10 -0.13 0.00 0.63 0.00 0.00 28.75 31.60 2byt h GLU 720 CO -0.38 -0.29 0.31 1.25 -0.73 0.00 0.00 179.01 179.17 2byt h LEU 721 N -0.94 0.17 -1.48 1.64 5.85 0.15 0.71 115.31 121.40 2byt h LEU 721 Ca -0.05 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2byt h LEU 721 Cb 0.35 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2byt h LEU 721 CO 0.08 -0.08 0.24 0.22 -0.34 0.00 0.00 178.44 178.56 2byt h TYR 722 N 0.30 0.57 -0.11 1.25 3.20 -0.79 0.31 116.97 121.70 2byt h TYR 722 Ca 0.55 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.32 2byt h TYR 722 Cb 1.08 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.16 2byt h TYR 722 CO -0.20 0.40 -0.31 0.78 -1.64 0.00 0.00 178.16 177.19 2byt h GLY 723 N 0.67 0.45 0.51 1.82 0.00 0.60 -2.95 103.07 104.16 2byt h GLY 723 Ca 0.16 -0.57 0.12 0.00 0.00 0.00 0.00 47.33 47.04 2byt h GLY 723 CO -0.03 0.51 0.61 1.70 0.00 0.00 0.00 176.54 179.33 2byt h LYS 724 N -0.02 0.88 0.00 4.80 1.63 -0.19 0.38 116.57 124.05 2byt h LYS 724 Ca -0.01 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2byt h LYS 724 Cb 0.93 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 2byt h LYS 724 CO 0.07 0.58 0.00 -0.11 -3.45 0.00 0.00 179.45 176.54 2byt n LEU 725 N -4.59 0.00 -0.36 5.20 7.94 0.03 -0.89 117.00 124.32 2byt n LEU 725 Ca 0.18 0.70 0.30 0.00 -1.11 0.00 0.00 56.01 56.08 2byt n LEU 725 Cb 0.38 -0.20 0.60 0.00 0.53 0.00 0.00 43.42 44.74 2byt n LEU 725 CO 0.28 -0.20 1.25 0.45 -1.11 0.00 0.00 177.39 178.07 2byt h HIS 726 N 0.00 0.46 -0.76 1.96 3.86 -1.33 1.72 115.15 121.07 2byt h HIS 726 Ca 0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 2byt h HIS 726 Cb 0.00 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.31 2byt h HIS 726 CO 0.02 -0.02 0.37 1.49 0.86 0.00 0.00 177.93 180.66 2byt h GLU 727 N 0.22 1.08 -0.02 2.45 4.81 -0.10 -1.53 114.58 121.49 2byt h GLU 727 Ca 0.65 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.69 2byt h GLU 727 Cb 1.99 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 31.17 2byt h GLU 727 CO -0.25 0.83 -0.15 1.15 -0.73 0.00 0.00 179.01 179.86 2byt h THR 728 N 1.08 1.53 -0.97 0.32 2.02 0.43 -3.14 112.91 114.17 2byt h THR 728 Ca 0.26 -1.76 0.21 0.00 0.77 0.00 0.00 66.41 65.90 2byt h THR 728 Cb 0.10 2.63 -0.11 0.00 -1.74 0.00 0.00 68.15 69.02 2byt h THR 728 CO -0.04 0.48 0.56 0.25 0.37 0.00 0.00 175.52 177.14 2byt h LEU 729 N -0.52 0.66 0.33 2.58 5.85 -0.26 -0.17 115.31 123.79 2byt h LEU 729 Ca -0.01 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2byt h LEU 729 Cb 0.86 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 2byt h LEU 729 CO 0.03 0.18 -0.41 0.50 -0.34 0.00 0.00 178.44 178.40 2byt h LYS 730 N 0.64 -0.76 0.01 1.25 3.64 -1.28 0.21 116.57 120.28 2byt h LYS 730 Ca 0.59 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 60.04 2byt h LYS 730 Cb 1.00 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 2byt h LYS 730 CO -0.43 -0.50 -0.20 -0.22 -2.27 0.00 0.00 179.45 175.82 2byt h LYS 731 N -0.78 -0.32 0.35 1.90 1.63 -1.11 0.71 116.57 118.95 2byt h LYS 731 Ca -0.02 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2byt h LYS 731 Cb 0.72 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.40 2byt h LYS 731 CO -0.11 -0.21 -0.46 0.28 -3.45 0.00 0.00 179.45 175.49 2byt h VAL 732 N -0.33 0.09 -1.00 2.00 2.07 -0.98 0.43 116.25 118.52 2byt h VAL 732 Ca 0.06 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.73 2byt h VAL 732 Cb 0.40 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.17 2byt h VAL 732 CO -0.18 0.00 0.62 0.74 0.02 0.00 0.00 177.57 178.77 2byt h THR 733 N -0.86 0.83 0.15 2.57 2.02 -0.77 0.54 112.91 117.39 2byt h THR 733 Ca -0.03 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 2byt h THR 733 Cb 0.79 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2byt h THR 733 CO -0.13 0.16 -0.07 -0.33 0.37 0.00 0.00 175.52 175.52 2byt h GLU 734 N 0.89 -0.19 -0.72 6.66 5.08 -0.51 -2.93 114.58 122.85 2byt h GLU 734 Ca 0.53 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 59.01 2byt h GLU 734 Cb 0.67 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 2byt h GLU 734 CO -0.31 0.24 0.48 -0.44 -1.00 0.00 0.00 179.01 177.98 2byt h ASP 735 N -0.75 0.54 -0.56 1.42 3.32 -0.56 -0.25 116.42 119.58 2byt h ASP 735 Ca -0.02 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 2byt h ASP 735 Cb 0.52 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 2byt h ASP 735 CO 0.03 0.32 0.14 -0.07 -1.72 0.00 0.00 179.24 177.94 2byt h LEU 736 N 0.60 0.84 -0.80 1.55 3.38 -0.92 0.71 115.31 120.67 2byt h LEU 736 Ca 0.33 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2byt h LEU 736 Cb 0.51 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2byt h LEU 736 CO -0.12 0.86 0.04 -0.33 0.09 0.00 0.00 178.44 178.98 2byt h GLU 737 N 0.79 0.95 -0.00 1.13 5.08 -0.90 -2.56 114.58 119.07 2byt h GLU 737 Ca 0.17 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2byt h GLU 737 Cb 0.34 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2byt h GLU 737 CO 0.00 0.91 -0.05 0.00 -1.00 0.00 0.00 179.01 178.87 2byt n ALA 738 N -2.47 2.65 -3.01 3.43 0.00 -0.51 -4.92 120.51 115.68 2byt n ALA 738 Ca 0.03 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 2byt n ALA 738 Cb 0.30 -1.41 0.04 0.00 0.00 0.00 0.00 19.45 18.38 2byt n ALA 738 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2byt n LEU 739 N -1.04 -2.75 -3.37 0.00 4.32 -0.62 -4.97 117.00 108.56 2byt n LEU 739 Ca 0.16 -0.28 -0.30 0.00 -0.02 0.00 0.00 56.01 55.57 2byt n LEU 739 Cb 0.24 -1.79 -0.05 0.00 -1.62 0.00 0.00 43.42 40.21 2byt n LEU 739 CO 0.22 0.31 0.35 0.54 -1.22 0.00 0.00 177.39 177.60 2byt n ARG 740 N -2.75 3.26 0.00 3.23 1.74 0.15 -4.81 116.66 117.48 2byt n ARG 740 Ca -0.02 -4.72 0.07 0.00 -0.77 0.00 0.00 57.85 52.41 2byt n ARG 740 Cb 0.54 -2.30 0.48 0.00 -1.02 0.00 0.00 32.46 30.15 2byt n ARG 740 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2byt h PHE 741 N 3.97 0.42 0.17 -1.55 0.04 -1.90 -2.13 116.94 115.96 2byt h PHE 741 Ca 0.21 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 2byt h PHE 741 Cb 0.58 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 2byt h PHE 741 CO 0.85 0.24 -0.11 -2.95 -0.60 0.00 0.00 178.31 175.74 2byt h ASN 742 N 0.44 -0.29 -0.08 2.17 -1.07 -1.79 -1.55 115.58 113.40 2byt h ASN 742 Ca 0.18 0.02 0.02 0.00 0.07 0.00 0.00 56.30 56.59 2byt h ASN 742 Cb 0.16 0.09 -0.00 0.00 -2.07 0.00 0.00 38.32 36.49 2byt h ASN 742 CO -0.04 -0.17 0.11 0.71 0.07 0.00 0.00 177.43 178.10 2byt h THR 743 N -0.27 0.40 -0.26 6.14 1.35 -1.90 0.24 112.91 118.61 2byt h THR 743 Ca -0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.77 2byt h THR 743 Cb 0.22 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 2byt h THR 743 CO 0.02 0.00 -0.13 0.00 -0.25 0.00 0.00 175.52 175.16 2byt h ALA 744 N 1.86 1.30 0.16 6.62 0.00 -0.99 -0.83 119.26 127.39 2byt h ALA 744 Ca 0.04 -0.26 -0.32 0.00 0.00 0.00 0.00 54.91 54.38 2byt h ALA 744 Cb 0.25 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2byt h ALA 744 CO -0.00 0.46 -1.58 0.82 0.00 0.00 0.00 179.25 178.96 2byt h ILE 745 N 0.40 1.00 -0.75 0.00 2.04 0.38 -3.14 117.51 117.44 2byt h ILE 745 Ca 0.08 -2.47 0.20 0.00 1.00 0.00 0.00 64.86 63.67 2byt h ILE 745 Cb 0.47 2.77 -0.04 0.00 -0.74 0.00 0.00 36.82 39.29 2byt h ILE 745 CO 0.03 0.79 0.53 0.00 0.00 0.00 0.00 178.15 179.50 2byt h ALA 746 N 0.05 2.57 -0.02 1.87 0.00 -0.81 0.70 119.26 123.62 2byt h ALA 746 Ca -0.32 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 2byt h ALA 746 Cb 1.95 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2byt h ALA 746 CO 0.13 -0.79 -0.86 0.00 0.00 0.00 0.00 179.25 177.73 2byt h ALA 747 N 1.63 0.49 0.00 0.00 0.00 -1.19 -2.74 119.26 117.46 2byt h ALA 747 Ca 0.36 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2byt h ALA 747 Cb 1.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2byt h ALA 747 CO -0.04 0.84 -0.49 -0.07 0.00 0.00 0.00 179.25 179.49 2byt h LEU 748 N 0.19 0.00 -0.21 0.00 3.38 0.37 -2.39 115.31 116.64 2byt h LEU 748 Ca -0.05 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 2byt h LEU 748 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2byt h LEU 748 CO 0.14 0.49 -0.89 0.24 0.09 0.00 0.00 178.44 178.52 2byt h MET 749 N 0.00 0.45 -0.42 1.13 2.86 -1.04 -2.57 114.93 115.34 2byt h MET 749 Ca -0.00 -0.45 -0.02 0.00 -2.06 0.00 0.00 59.70 57.17 2byt h MET 749 Cb 0.88 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 2byt h MET 749 CO 0.06 1.10 0.19 1.49 1.06 0.00 0.00 176.91 180.81 2byt h GLU 750 N 0.27 0.62 -0.60 1.72 4.81 -1.32 -2.21 114.58 117.87 2byt h GLU 750 Ca -0.07 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 2byt h GLU 750 Cb 1.51 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.76 2byt h GLU 750 CO 0.16 0.56 0.07 0.35 -0.73 0.00 0.00 179.01 179.41 2byt h PHE 751 N 0.54 1.08 -0.53 0.92 3.57 -1.44 -2.12 116.94 118.95 2byt h PHE 751 Ca 0.14 -0.16 0.11 0.00 3.53 0.00 0.00 57.97 61.59 2byt h PHE 751 Cb 0.15 -0.29 -0.09 0.00 2.79 0.00 0.00 35.95 38.51 2byt h PHE 751 CO -0.01 0.94 -0.00 1.25 -2.23 0.00 0.00 178.31 178.26 2byt h LEU 752 N 0.91 -0.24 -0.34 0.59 5.85 -1.03 0.23 115.31 121.29 2byt h LEU 752 Ca 0.18 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2byt h LEU 752 Cb 0.46 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 2byt h LEU 752 CO 0.02 -0.09 0.22 0.78 -0.34 0.00 0.00 178.44 179.03 2byt h ASN 753 N 0.11 0.40 -0.93 1.25 2.35 -1.20 -1.09 115.58 116.48 2byt h ASN 753 Ca 0.27 -0.03 0.24 0.00 -0.55 0.00 0.00 56.30 56.23 2byt h ASN 753 Cb 0.42 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 2byt h ASN 753 CO -0.45 0.31 0.64 0.00 -1.65 0.00 0.00 177.43 176.28 2byt h ALA 754 N 1.11 2.52 0.02 -0.83 0.00 0.02 0.29 119.26 122.39 2byt h ALA 754 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 2byt h ALA 754 Cb -0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2byt h ALA 754 CO -0.03 -0.82 -0.98 -0.07 0.00 0.00 0.00 179.25 177.36 2byt h LEU 755 N 0.21 0.47 -0.73 0.00 3.38 0.37 -2.11 115.31 116.90 2byt h LEU 755 Ca 0.47 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2byt h LEU 755 Cb 1.50 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2byt h LEU 755 CO -0.11 1.21 -0.32 1.88 0.09 0.00 0.00 178.44 181.18 2byt h TYR 756 N 0.18 0.71 0.00 1.13 -1.99 0.42 -2.57 116.97 114.85 2byt h TYR 756 Ca -0.08 -0.18 -0.12 0.00 2.00 0.00 0.00 58.73 60.34 2byt h TYR 756 Cb 1.63 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 40.18 2byt h TYR 756 CO 0.06 0.86 -0.59 0.93 -0.00 0.00 0.00 178.16 179.41 2byt h GLU 757 N 0.52 0.00 0.00 4.88 4.39 -1.06 -2.85 114.58 120.45 2byt h GLU 757 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2byt h GLU 757 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2byt h GLU 757 CO 0.07 0.59 0.00 -0.92 -1.16 0.00 0.00 179.01 177.59 2byt h TYR 758 N 0.00 0.00 -0.14 4.33 3.20 -1.12 -3.16 116.97 120.08 2byt h TYR 758 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2byt h TYR 758 Cb 1.08 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.35 2byt h TYR 758 CO 0.00 0.00 0.00 0.54 -1.64 0.00 0.00 178.16 177.06 2byt n ARG 759 N -2.73 1.97 0.00 1.82 5.12 -0.99 -2.80 116.66 119.05 2byt n ARG 759 Ca 0.04 -1.43 0.11 0.00 -1.93 0.00 0.00 57.85 54.64 2byt n ARG 759 Cb 0.42 -1.45 0.08 0.00 -1.16 0.00 0.00 32.46 30.34 2byt n ARG 759 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2byt n LYS 760 N 0.68 0.59 -0.23 5.56 5.02 -1.19 -4.26 118.16 124.33 2byt n LYS 760 Ca 0.17 -0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 2byt n LYS 760 Cb 0.44 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 2byt n LYS 760 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2byt n ASP 761 N -0.82 0.00 -3.56 4.39 8.00 -1.25 -5.09 116.55 118.22 2byt n ASP 761 Ca 0.08 -1.45 -0.17 0.00 0.71 0.00 0.00 54.79 53.96 2byt n ASP 761 Cb 0.38 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 2byt n ASP 761 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2byt s ARG 762 N 0.00 0.98 0.68 -1.24 6.06 -1.12 -5.04 118.95 119.27 2byt s ARG 762 Ca 0.00 0.40 -0.00 0.00 -2.50 0.00 0.00 55.73 53.63 2byt s ARG 762 Cb 0.00 0.46 0.11 0.00 0.06 0.00 0.00 34.95 35.58 2byt s ARG 762 CO 0.00 -0.27 0.94 -2.14 -2.50 0.00 0.00 175.30 171.34 2byt s PRO 763 N -0.83 1.88 -0.61 5.12 0.02 -1.26 -4.42 135.00 134.90 2byt s PRO 763 Ca -0.09 -1.05 -0.26 0.00 0.02 0.00 0.00 61.00 59.62 2byt s PRO 763 Cb -0.01 -2.37 -0.08 0.00 0.02 0.00 0.00 34.50 32.05 2byt s PRO 763 CO 0.08 -1.28 2.34 0.08 -0.33 0.00 0.00 177.00 177.89 2byt s VAL 764 N -3.05 3.06 0.31 3.83 1.01 -1.26 -4.91 120.40 119.38 2byt s VAL 764 Ca 0.64 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.69 2byt s VAL 764 Cb -0.06 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 2byt s VAL 764 CO 0.43 -0.14 0.39 0.42 0.00 0.00 0.00 175.10 176.20 2byt s THR 765 N 12.64 4.21 0.22 3.92 -4.23 -1.26 -4.94 115.64 126.19 2byt s THR 765 Ca 0.92 -1.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.24 2byt s THR 765 Cb -0.15 -3.44 0.17 0.00 1.34 0.00 0.00 72.50 70.42 2byt s THR 765 CO 0.19 -0.21 1.75 -0.65 -0.54 0.00 0.00 174.62 175.16 2byt h PRO 766 N 1.08 0.46 -0.61 3.99 0.11 -1.91 0.17 132.00 135.29 2byt h PRO 766 Ca -0.47 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.66 2byt h PRO 766 Cb 1.25 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 2byt h PRO 766 CO 0.56 0.31 0.34 -0.24 -0.21 0.00 0.00 178.00 178.76 2byt h VAL 767 N 0.48 1.00 -0.50 3.15 3.04 -1.90 -1.52 116.25 120.00 2byt h VAL 767 Ca 0.35 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 2byt h VAL 767 Cb 0.43 0.29 -0.02 0.00 -2.01 0.00 0.00 31.29 29.98 2byt h VAL 767 CO -0.32 0.12 0.31 0.22 -1.01 0.00 0.00 177.57 176.90 2byt h TYR 768 N 0.66 0.64 0.07 3.17 3.20 -1.12 0.41 116.97 124.01 2byt h TYR 768 Ca 0.26 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.16 2byt h TYR 768 Cb 0.11 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.13 2byt h TYR 768 CO -0.07 0.43 -0.26 -0.09 -1.64 0.00 0.00 178.16 176.53 2byt h ARG 769 N 0.67 -0.42 -0.76 1.82 2.43 -0.44 0.78 114.38 118.45 2byt h ARG 769 Ca 0.18 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.54 2byt h ARG 769 Cb -0.04 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 29.50 2byt h ARG 769 CO -0.04 -0.28 0.22 1.15 -1.51 0.00 0.00 179.97 179.51 2byt h THR 770 N -0.44 0.53 -0.50 0.20 2.02 -0.82 0.14 112.91 114.05 2byt h THR 770 Ca 0.04 -0.11 0.09 0.00 0.77 0.00 0.00 66.41 67.20 2byt h THR 770 Cb 0.49 0.19 -0.07 0.00 -1.74 0.00 0.00 68.15 67.02 2byt h THR 770 CO -0.18 0.06 0.10 0.00 0.37 0.00 0.00 175.52 175.86 2byt h ALA 771 N 1.61 0.56 -0.35 6.16 0.00 0.13 0.71 119.26 128.08 2byt h ALA 771 Ca 0.43 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 2byt h ALA 771 Cb 0.73 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2byt h ALA 771 CO -0.50 -0.31 0.14 0.82 0.00 0.00 0.00 179.25 179.40 2byt h ILE 772 N 0.23 1.19 0.15 0.00 1.08 0.97 0.51 117.51 121.63 2byt h ILE 772 Ca 0.25 -0.58 0.02 0.00 -0.39 0.00 0.00 64.86 64.16 2byt h ILE 772 Cb 0.34 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 2byt h ILE 772 CO -0.33 0.20 -0.36 -0.09 -0.69 0.00 0.00 178.15 176.88 2byt h ARG 773 N 0.41 -0.59 -0.90 2.37 2.43 -0.26 0.52 114.38 118.36 2byt h ARG 773 Ca 0.11 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.44 2byt h ARG 773 Cb 0.19 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.79 2byt h ARG 773 CO -0.01 -0.39 0.53 1.88 -1.51 0.00 0.00 179.97 180.47 2byt h TYR 774 N -0.61 0.97 -0.35 2.20 -1.99 -0.71 -1.97 116.97 114.49 2byt h TYR 774 Ca 0.02 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 2byt h TYR 774 Cb 0.63 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 2byt h TYR 774 CO -0.31 0.37 0.13 -0.92 -0.00 0.00 0.00 178.16 177.44 2byt h TYR 775 N 0.86 0.55 -0.63 4.88 5.03 -0.26 -1.52 116.97 125.87 2byt h TYR 775 Ca 0.45 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.71 2byt h TYR 775 Cb 0.45 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.53 2byt h TYR 775 CO -0.04 0.52 0.40 -0.07 -1.32 0.00 0.00 178.16 177.65 2byt h LEU 776 N 0.42 0.73 -0.68 2.82 3.38 -0.21 -0.74 115.31 121.03 2byt h LEU 776 Ca 0.12 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 2byt h LEU 776 Cb 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2byt h LEU 776 CO -0.01 0.54 -0.40 1.56 0.09 0.00 0.00 178.44 180.22 2byt h GLN 777 N 0.85 0.56 0.00 1.13 4.20 -1.11 -2.43 115.11 118.31 2byt h GLN 777 Ca 0.23 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2byt h GLN 777 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2byt h GLN 777 CO -0.05 0.86 0.00 -1.33 -0.67 0.00 0.00 178.83 177.65 2byt n MET 778 N -4.03 0.16 0.02 1.46 2.81 -0.59 -3.36 117.12 113.59 2byt n MET 778 Ca -0.02 0.22 -0.19 0.00 -1.81 0.00 0.00 57.70 55.90 2byt n MET 778 Cb 0.51 -1.72 -0.14 0.00 -0.71 0.00 0.00 33.22 31.16 2byt n MET 778 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2byt h LEU 779 N 0.00 0.37 -1.21 4.03 5.85 -0.87 -3.39 115.31 120.10 2byt h LEU 779 Ca 0.00 -0.77 0.35 0.00 0.84 0.00 0.00 57.88 58.30 2byt h LEU 779 Cb 0.56 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2byt h LEU 779 CO 0.00 1.68 1.12 0.33 -0.34 0.00 0.00 178.44 181.23 2byt n PHE 780 N -3.42 0.00 0.06 1.25 7.35 -0.94 0.15 117.46 121.90 2byt n PHE 780 Ca -0.27 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.39 2byt n PHE 780 Cb 1.05 -0.30 -0.08 0.00 0.35 0.00 0.00 39.48 40.51 2byt n PHE 780 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 2byt h PRO 781 N 0.00 0.00 0.06 -7.13 0.11 -1.80 -3.20 132.00 120.04 2byt h PRO 781 Ca 0.57 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 66.32 2byt h PRO 781 Cb 2.81 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 33.88 2byt h PRO 781 CO -0.01 0.60 -2.05 1.19 -0.21 0.00 0.00 178.00 177.52 2byt n PHE 782 N -3.15 0.79 -3.50 0.65 3.72 0.12 -4.32 117.46 111.78 2byt n PHE 782 Ca -0.05 0.20 -0.27 0.00 -0.05 0.00 0.00 57.45 57.29 2byt n PHE 782 Cb 0.88 -1.10 -0.09 0.00 -0.94 0.00 0.00 39.48 38.23 2byt n PHE 782 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2byt n ALA 783 N -3.25 3.39 0.25 4.37 0.00 -0.82 -4.50 120.51 119.95 2byt n ALA 783 Ca -0.38 -4.19 0.08 0.00 0.00 0.00 0.00 53.44 48.95 2byt n ALA 783 Cb 0.96 -0.90 0.61 0.00 0.00 0.00 0.00 19.45 20.13 2byt n ALA 783 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2byt h PRO 784 N 4.68 0.00 0.00 0.00 0.13 -1.74 -2.18 132.00 132.89 2byt h PRO 784 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2byt h PRO 784 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2byt h PRO 784 CO 0.66 0.10 0.00 0.72 -0.23 0.00 0.00 178.00 179.26 2byt n HIS 785 N -4.25 0.00 -0.05 1.56 8.25 -1.26 -1.58 115.22 117.89 2byt n HIS 785 Ca -0.03 0.00 0.25 0.00 -0.26 0.00 0.00 57.72 57.68 2byt n HIS 785 Cb 0.18 -0.45 0.70 0.00 1.12 0.00 0.00 29.99 31.55 2byt n HIS 785 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2byt h LEU 786 N 0.00 0.00 -0.10 2.41 5.85 -1.97 0.30 115.31 121.79 2byt h LEU 786 Ca 0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 2byt h LEU 786 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 2byt h LEU 786 CO 0.00 0.00 -0.63 0.00 -0.34 0.00 0.00 178.44 177.47 2byt h ALA 787 N 1.38 0.22 0.00 1.25 0.00 -1.45 -2.93 119.26 117.72 2byt h ALA 787 Ca 0.32 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 2byt h ALA 787 Cb 1.57 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2byt h ALA 787 CO -0.00 0.49 -0.44 1.49 0.00 0.00 0.00 179.25 180.79 2byt h GLU 788 N 0.25 0.00 0.00 0.00 4.57 0.55 -2.47 114.58 117.48 2byt h GLU 788 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2byt h GLU 788 Cb 1.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 2byt h GLU 788 CO 0.13 0.44 0.00 -1.91 -1.18 0.00 0.00 179.01 176.48 2byt n GLU 789 N -3.82 0.00 -0.27 1.92 4.07 -0.36 -2.86 120.64 119.32 2byt n GLU 789 Ca -0.01 0.44 0.23 0.00 -0.06 0.00 0.00 57.16 57.76 2byt n GLU 789 Cb 0.49 -1.26 0.56 0.00 -0.06 0.00 0.00 31.44 31.17 2byt n GLU 789 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2byt h LEU 790 N 0.00 0.34 -0.94 4.31 3.38 -1.61 -0.22 115.31 120.56 2byt h LEU 790 Ca 0.00 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2byt h LEU 790 Cb 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2byt h LEU 790 CO 0.00 0.10 0.47 -0.25 0.09 0.00 0.00 178.44 178.85 2byt h TRP 791 N 0.32 1.20 0.00 1.13 2.91 -1.49 -2.77 115.95 117.24 2byt h TRP 791 Ca 0.52 -0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.45 2byt h TRP 791 Cb 1.45 -0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 29.71 2byt h TRP 791 CO -0.00 0.83 -0.25 0.45 -1.03 0.00 0.00 178.44 178.45 2byt h HIS 792 N 1.22 0.00 0.00 2.65 3.86 -0.88 -0.28 115.15 121.72 2byt h HIS 792 Ca 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 2byt h HIS 792 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2byt h HIS 792 CO 0.01 0.25 0.14 -1.49 0.86 0.00 0.00 177.93 177.69 2byt h TRP 793 N 0.00 0.00 0.00 2.45 6.55 -1.45 -3.26 115.95 120.23 2byt h TRP 793 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2byt h TRP 793 Cb 0.69 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.99 2byt h TRP 793 CO 0.00 0.00 -0.73 1.19 -1.05 0.00 0.00 178.44 177.85 2byt n PHE 794 N -2.89 0.00 -4.22 0.49 3.72 -1.03 -4.99 117.46 108.54 2byt n PHE 794 Ca -0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.08 2byt n PHE 794 Cb 0.19 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.64 2byt n PHE 794 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2byt s TRP 795 N -1.73 2.79 0.00 1.38 0.51 -0.14 -5.10 118.94 116.64 2byt s TRP 795 Ca 0.00 -0.13 0.00 0.00 -2.12 0.00 0.00 56.10 53.85 2byt s TRP 795 Cb 0.00 -1.46 0.00 0.00 -0.81 0.00 0.00 33.47 31.20 2byt s TRP 795 CO 0.00 0.43 0.06 -0.35 -0.51 0.00 0.00 176.95 176.58 2byt n PRO 796 N 0.71 0.00 -0.67 4.98 -0.04 -1.26 -4.11 135.00 134.61 2byt n PRO 796 Ca -0.13 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.02 2byt n PRO 796 Cb 0.52 -0.43 0.17 0.00 -0.04 0.00 0.00 33.50 33.72 2byt n PRO 796 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2byt n ASP 797 N -0.08 -0.36 -4.73 3.54 8.00 -1.26 -4.89 116.55 116.78 2byt n ASP 797 Ca 0.00 0.33 -0.39 0.00 0.71 0.00 0.00 54.79 55.44 2byt n ASP 797 Cb 0.00 -1.40 0.04 0.00 -0.02 0.00 0.00 41.12 39.74 2byt n ASP 797 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2byt n SER 798 N -3.77 2.51 0.32 -2.24 2.88 -1.26 -4.87 113.62 107.17 2byt n SER 798 Ca 0.10 0.98 0.14 0.00 -1.33 0.00 0.00 58.87 58.76 2byt n SER 798 Cb 0.53 -1.55 0.73 0.00 -0.75 0.00 0.00 64.21 63.16 2byt n SER 798 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2byt h LEU 799 N 1.42 0.00 -1.19 2.46 3.38 -1.93 0.14 115.31 119.59 2byt h LEU 799 Ca -0.50 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.41 2byt h LEU 799 Cb 1.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 2byt h LEU 799 CO 0.57 0.00 -0.02 -0.26 0.09 0.00 0.00 178.44 178.82 2byt h PHE 800 N 0.00 0.55 -0.23 1.13 -1.00 -1.98 -2.38 116.94 113.04 2byt h PHE 800 Ca 0.02 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.74 2byt h PHE 800 Cb 0.85 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.25 2byt h PHE 800 CO 0.00 0.56 0.00 0.39 -1.61 0.00 0.00 178.31 177.65 2byt n GLU 801 N -4.26 2.02 0.06 1.51 1.02 0.49 -4.21 120.64 117.26 2byt n GLU 801 Ca 0.01 -1.53 -0.05 0.00 -0.02 0.00 0.00 57.16 55.58 2byt n GLU 801 Cb 0.26 -1.44 0.14 0.00 -0.02 0.00 0.00 31.44 30.38 2byt n GLU 801 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2byt h ALA 802 N 4.25 0.91 0.00 0.62 0.00 -1.44 -3.50 119.26 120.10 2byt h ALA 802 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2byt h ALA 802 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2byt h ALA 802 CO 0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 2byt n GLY 803 N 0.07 -1.78 3.77 0.00 0.00 -1.24 -4.90 105.19 101.12 2byt n GLY 803 Ca -0.02 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 2byt n GLY 803 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2byt s TRP 804 N -2.65 3.64 0.28 1.61 -0.11 -1.05 -4.90 118.94 115.77 2byt s TRP 804 Ca 0.00 1.02 -0.26 0.00 1.22 0.00 0.00 56.10 58.08 2byt s TRP 804 Cb 0.00 -2.48 -0.15 0.00 -1.50 0.00 0.00 33.47 29.34 2byt s TRP 804 CO 0.00 0.39 0.61 -2.30 -4.62 0.00 0.00 176.95 171.03 2byt n PRO 805 N 2.72 0.45 -3.28 5.86 -0.02 -1.26 -4.95 135.00 134.53 2byt n PRO 805 Ca -0.09 0.16 -0.39 0.00 -2.02 0.00 0.00 63.50 61.15 2byt n PRO 805 Cb 0.52 -1.30 -0.07 0.00 -0.02 0.00 0.00 33.50 32.63 2byt n PRO 805 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2byt s GLU 806 N -1.24 4.21 0.33 -0.52 2.12 -1.26 -5.05 118.70 117.28 2byt s GLU 806 Ca 0.62 0.38 -0.27 0.00 0.36 0.00 0.00 54.97 56.06 2byt s GLU 806 Cb -0.79 -3.54 -0.09 0.00 0.26 0.00 0.00 34.13 29.97 2byt s GLU 806 CO 0.58 -0.10 1.10 -1.17 -0.54 0.00 0.00 175.26 175.13 2byt s LEU 807 N 1.46 4.40 -0.71 2.70 2.96 -1.26 -5.00 118.68 123.24 2byt s LEU 807 Ca 0.23 2.22 0.01 0.00 -0.22 0.00 0.00 54.13 56.38 2byt s LEU 807 Cb -0.15 -3.82 0.17 0.00 0.50 0.00 0.00 46.19 42.89 2byt s LEU 807 CO 0.09 -0.30 0.52 -0.62 -1.32 0.00 0.00 176.35 174.72 2byt s ASP 808 N -1.09 5.15 0.21 3.68 2.15 -1.26 -4.98 116.67 120.53 2byt s ASP 808 Ca 0.49 -3.44 -0.16 0.00 0.43 0.00 0.00 52.55 49.87 2byt s ASP 808 Cb -0.29 -1.76 0.22 0.00 -0.30 0.00 0.00 42.92 40.78 2byt s ASP 808 CO 0.37 -0.20 1.43 -0.62 -0.17 0.00 0.00 175.17 175.98 2byt n GLU 809 N 2.62 -0.22 0.31 4.34 -0.58 -1.26 0.50 120.64 126.35 2byt n GLU 809 Ca 0.15 1.42 0.14 0.00 -0.42 0.00 0.00 57.16 58.45 2byt n GLU 809 Cb 0.36 -2.10 0.75 0.00 -0.57 0.00 0.00 31.44 29.88 2byt n GLU 809 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2byt h LYS 810 N 0.00 0.00 0.00 3.49 1.57 -1.99 0.36 116.57 120.00 2byt h LYS 810 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2byt h LYS 810 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2byt h LYS 810 CO -0.91 0.00 -0.10 0.00 -0.57 0.00 0.00 179.45 177.87 2byt h ALA 811 N 1.31 0.94 0.00 3.86 0.00 -0.37 -3.17 119.26 121.83 2byt h ALA 811 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2byt h ALA 811 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2byt h ALA 811 CO 0.00 0.00 -0.92 -0.07 0.00 0.00 0.00 179.25 178.26 2byt h LEU 812 N 0.00 0.00 -9.20 0.00 3.38 -0.34 -3.42 115.31 105.73 2byt h LEU 812 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 2byt h LEU 812 Cb 0.77 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.55 2byt h LEU 812 CO 0.00 0.92 0.72 -0.62 0.09 0.00 0.00 178.44 179.56 2byt n GLU 813 N -3.33 1.17 -3.66 1.13 1.02 -1.20 -4.94 120.64 110.83 2byt n GLU 813 Ca 0.00 0.43 -0.35 0.00 -0.02 0.00 0.00 57.16 57.22 2byt n GLU 813 Cb 0.91 -2.10 -0.05 0.00 -0.02 0.00 0.00 31.44 30.18 2byt n GLU 813 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2byt s LYS 814 N 2.30 3.68 -0.21 3.49 1.02 -1.26 -5.08 119.74 123.68 2byt s LYS 814 Ca 0.93 0.06 -0.03 0.00 0.02 0.00 0.00 55.97 56.94 2byt s LYS 814 Cb -1.02 -3.04 0.07 0.00 -0.52 0.00 0.00 37.83 33.33 2byt s LYS 814 CO 0.58 0.60 0.06 0.16 -0.92 0.00 0.00 175.35 175.83 2byt s ASP 815 N -1.74 2.99 0.00 2.83 -4.77 -1.26 -4.68 116.67 110.05 2byt s ASP 815 Ca 0.30 -0.92 0.00 0.00 -3.30 0.00 0.00 52.55 48.64 2byt s ASP 815 Cb -0.14 -0.55 0.00 0.00 -1.09 0.00 0.00 42.92 41.15 2byt s ASP 815 CO 0.17 -0.34 0.00 0.52 0.70 0.00 0.00 175.17 176.23 2byt n VAL 816 N 5.08 -1.23 -3.06 2.11 0.31 -1.26 -4.92 118.33 115.36 2byt n VAL 816 Ca -0.08 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.99 2byt n VAL 816 Cb 0.46 -3.49 -0.01 0.00 -0.91 0.00 0.00 33.84 29.89 2byt n VAL 816 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2byt s VAL 817 N -2.39 5.00 -0.09 2.52 1.01 -1.00 -4.78 120.40 120.67 2byt s VAL 817 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.67 2byt s VAL 817 Cb 0.00 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2byt s VAL 817 CO 0.00 -0.63 0.73 -0.70 0.00 0.00 0.00 175.10 174.50 2byt s GLU 818 N -4.33 4.40 -0.00 2.72 2.12 -1.26 -2.59 118.70 119.76 2byt s GLU 818 Ca 0.44 0.90 0.03 0.00 0.36 0.00 0.00 54.97 56.70 2byt s GLU 818 Cb -0.10 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 2byt s GLU 818 CO 0.38 -0.03 -0.07 0.08 -0.54 0.00 0.00 175.26 175.08 2byt s VAL 819 N 1.12 3.62 -0.11 3.70 1.01 0.39 -4.73 120.40 125.41 2byt s VAL 819 Ca 0.37 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 2byt s VAL 819 Cb -0.17 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 2byt s VAL 819 CO 0.17 0.41 0.39 0.00 0.00 0.00 0.00 175.10 176.08 2byt s ALA 820 N -0.97 3.56 -0.35 5.51 0.00 -0.94 -0.47 121.76 128.09 2byt s ALA 820 Ca 0.16 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 2byt s ALA 820 Cb -0.11 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.52 2byt s ALA 820 CO 0.07 0.13 0.22 0.08 0.00 0.00 0.00 175.76 176.26 2byt s VAL 821 N 0.22 4.91 0.07 0.00 1.01 0.54 -1.49 120.40 125.64 2byt s VAL 821 Ca 0.22 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 61.77 2byt s VAL 821 Cb -0.15 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2byt s VAL 821 CO 0.09 -0.10 -0.26 0.00 0.00 0.00 0.00 175.10 174.82 2byt s GLN 822 N 1.64 1.72 -0.11 2.72 -2.07 0.63 -1.14 119.66 123.04 2byt s GLN 822 Ca 0.04 -1.16 0.02 0.00 -1.82 0.00 0.00 55.36 52.44 2byt s GLN 822 Cb -0.18 -1.97 0.01 0.00 -1.09 0.00 0.00 33.01 29.78 2byt s GLN 822 CO 0.08 0.50 -0.17 0.08 -1.32 0.00 0.00 175.29 174.46 2byt s VAL 823 N -0.87 1.63 -1.24 3.63 1.01 -0.14 -0.98 120.40 123.44 2byt s VAL 823 Ca 0.12 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.14 2byt s VAL 823 Cb -0.10 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.83 2byt s VAL 823 CO 0.03 0.47 0.63 0.59 0.00 0.00 0.00 175.10 176.81 2byt n ASN 824 N 4.05 -3.60 0.00 3.32 3.02 -1.14 -1.71 115.26 119.20 2byt n ASN 824 Ca -0.20 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 2byt n ASN 824 Cb 0.52 -2.44 0.00 0.00 -0.61 0.00 0.00 39.78 37.25 2byt n ASN 824 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2byt n GLY 825 N -1.98 0.51 3.71 7.41 0.00 -1.26 -4.99 105.19 108.58 2byt n GLY 825 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2byt n GLY 825 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2byt s ARG 826 N -0.52 2.90 -0.76 1.61 0.52 -0.69 -5.04 118.95 116.97 2byt s ARG 826 Ca 0.00 -0.53 -0.25 0.00 -0.52 0.00 0.00 55.73 54.43 2byt s ARG 826 Cb 0.00 -2.75 0.05 0.00 0.52 0.00 0.00 34.95 32.77 2byt s ARG 826 CO 0.00 0.65 1.21 0.08 0.02 0.00 0.00 175.30 177.26 2byt s VAL 827 N -1.06 3.94 0.22 3.52 1.01 -1.26 -0.96 120.40 125.81 2byt s VAL 827 Ca 0.19 -0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.23 2byt s VAL 827 Cb -0.12 -4.87 -0.08 0.00 0.00 0.00 0.00 36.38 31.31 2byt s VAL 827 CO 0.09 -1.75 1.50 0.03 0.00 0.00 0.00 175.10 174.97 2byt h ARG 828 N 9.83 0.10 0.00 2.72 2.47 -1.48 -3.48 114.38 124.54 2byt h ARG 828 Ca -0.21 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 2byt h ARG 828 Cb 1.05 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 2byt h ARG 828 CO 1.26 0.78 0.00 0.41 0.56 0.00 0.00 179.97 182.99 2byt n GLY 829 N 0.54 -1.38 2.76 0.04 0.00 -0.87 -4.77 105.19 101.51 2byt n GLY 829 Ca -0.02 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 2byt n GLY 829 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2byt s THR 830 N -2.39 0.14 0.45 2.61 -4.23 -1.26 0.20 115.64 111.15 2byt s THR 830 Ca 0.00 0.21 0.08 0.00 -1.18 0.00 0.00 61.69 60.80 2byt s THR 830 Cb 0.00 -0.30 0.01 0.00 1.34 0.00 0.00 72.50 73.55 2byt s THR 830 CO 0.00 0.19 0.52 0.27 -0.54 0.00 0.00 174.62 175.05 2byt s ILE 831 N 1.66 2.66 -0.32 2.99 -4.36 0.38 -4.90 121.20 119.31 2byt s ILE 831 Ca -0.01 -1.16 0.02 0.00 -0.26 0.00 0.00 60.65 59.24 2byt s ILE 831 Cb -0.13 -2.82 0.10 0.00 1.25 0.00 0.00 42.46 40.86 2byt s ILE 831 CO -0.03 0.00 0.06 -1.00 0.24 0.00 0.00 174.94 174.21 2byt s HIS 832 N -2.47 2.79 0.07 1.37 3.76 -1.26 -0.46 115.29 119.10 2byt s HIS 832 Ca 0.52 -2.37 0.01 0.00 -0.15 0.00 0.00 55.06 53.07 2byt s HIS 832 Cb -0.06 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.28 2byt s HIS 832 CO 0.31 -0.91 -0.05 0.96 -0.85 0.00 0.00 174.74 174.20 2byt s ILE 833 N 1.24 0.48 1.00 0.60 -5.25 -1.07 -4.96 121.20 113.24 2byt s ILE 833 Ca 0.09 -1.73 -0.15 0.00 -0.99 0.00 0.00 60.65 57.87 2byt s ILE 833 Cb -0.18 -1.42 0.04 0.00 2.95 0.00 0.00 42.46 43.85 2byt s ILE 833 CO -0.15 -0.84 0.22 -2.65 -1.79 0.00 0.00 174.94 169.73 2byt n PRO 834 N 0.28 -0.60 -0.11 0.37 -0.02 -1.26 -2.37 135.00 131.28 2byt n PRO 834 Ca -0.15 -0.14 -0.08 0.00 -2.02 0.00 0.00 63.50 61.11 2byt n PRO 834 Cb 0.60 -1.76 0.08 0.00 -0.02 0.00 0.00 33.50 32.40 2byt n PRO 834 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2byt h LYS 835 N -1.65 0.84 -0.00 -0.52 3.64 -1.85 -2.98 116.57 114.05 2byt h LYS 835 Ca -0.46 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 58.61 2byt h LYS 835 Cb 1.30 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2byt h LYS 835 CO 0.34 0.94 -0.42 -0.25 -2.27 0.00 0.00 179.45 177.79 2byt n ASP 836 N -4.13 0.54 -3.80 4.20 9.92 -1.26 -4.61 116.55 117.40 2byt n ASP 836 Ca 0.01 -0.30 -0.53 0.00 -0.53 0.00 0.00 54.79 53.44 2byt n ASP 836 Cb 0.41 0.18 -0.08 0.00 -0.64 0.00 0.00 41.12 40.99 2byt n ASP 836 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2byt n ALA 837 N -1.37 -1.77 -1.77 2.24 0.00 -1.13 -4.83 120.51 111.88 2byt n ALA 837 Ca 0.07 0.44 -0.38 0.00 0.00 0.00 0.00 53.44 53.56 2byt n ALA 837 Cb 0.34 -1.52 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 2byt n ALA 837 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2byt s PRO 838 N 1.62 3.88 0.38 0.00 0.02 -1.26 -4.75 135.00 134.89 2byt s PRO 838 Ca 0.82 1.97 0.28 0.00 0.02 0.00 0.00 61.00 64.09 2byt s PRO 838 Cb -1.16 -2.61 1.30 0.00 0.02 0.00 0.00 34.50 32.05 2byt s PRO 838 CO 0.60 -0.51 1.37 1.28 -0.33 0.00 0.00 177.00 179.41 2byt n LEU 839 N -0.12 0.19 0.08 -5.54 4.32 -1.26 0.22 117.00 114.88 2byt n LEU 839 Ca 0.05 1.23 -0.05 0.00 -0.02 0.00 0.00 56.01 57.23 2byt n LEU 839 Cb 0.46 -0.61 0.13 0.00 -1.62 0.00 0.00 43.42 41.78 2byt n LEU 839 CO 0.52 -1.34 0.50 -0.33 -1.22 0.00 0.00 177.39 175.52 2byt h GLU 840 N 0.00 0.27 -0.09 3.23 3.07 -1.99 -0.27 114.58 118.80 2byt h GLU 840 Ca 0.77 -0.17 -0.19 0.00 -0.50 0.00 0.00 59.36 59.27 2byt h GLU 840 Cb 2.44 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 30.37 2byt h GLU 840 CO -0.43 0.76 -0.72 0.28 -1.40 0.00 0.00 179.01 177.50 2byt h VAL 841 N 0.20 1.37 0.18 3.13 2.07 0.23 -2.25 116.25 121.17 2byt h VAL 841 Ca -0.00 -2.10 -0.01 0.00 0.82 0.00 0.00 66.70 65.41 2byt h VAL 841 Cb 1.06 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2byt h VAL 841 CO 0.09 0.64 -0.08 0.00 0.02 0.00 0.00 177.57 178.23 2byt h ALA 842 N 0.90 -0.24 -0.94 1.67 0.00 -1.40 -2.45 119.26 116.80 2byt h ALA 842 Ca -0.03 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.87 2byt h ALA 842 Cb 1.30 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 19.01 2byt h ALA 842 CO 0.13 -0.27 -0.29 -0.09 0.00 0.00 0.00 179.25 178.73 2byt h ARG 843 N -0.97 -0.01 0.62 0.00 2.43 -1.11 0.23 114.38 115.57 2byt h ARG 843 Ca -0.02 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2byt h ARG 843 Cb 0.44 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2byt h ARG 843 CO 0.04 -0.01 -0.38 0.00 -1.51 0.00 0.00 179.97 178.12 2byt h ALA 844 N 1.70 -1.20 0.00 2.80 0.00 -1.47 -0.48 119.26 120.62 2byt h ALA 844 Ca 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2byt h ALA 844 Cb 0.65 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2byt h ALA 844 CO -0.96 -1.16 0.08 0.39 0.00 0.00 0.00 179.25 177.60 2byt n GLU 845 N -4.76 0.00 -0.10 0.00 -0.58 -0.30 -1.84 120.64 113.06 2byt n GLU 845 Ca -0.11 0.42 -0.18 0.00 -0.42 0.00 0.00 57.16 56.87 2byt n GLU 845 Cb 0.39 -1.58 -0.09 0.00 -0.57 0.00 0.00 31.44 29.59 2byt n GLU 845 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2byt h ALA 846 N 1.68 0.20 0.00 0.62 0.00 0.27 -3.39 119.26 118.65 2byt h ALA 846 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.87 2byt h ALA 846 Cb 0.16 0.69 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2byt h ALA 846 CO 0.00 0.66 0.28 1.28 0.00 0.00 0.00 179.25 181.47 2byt n LEU 847 N -4.48 0.00 -2.65 0.00 4.77 -0.27 -1.09 117.00 113.27 2byt n LEU 847 Ca -0.26 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.71 2byt n LEU 847 Cb 0.58 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.61 2byt n LEU 847 CO 0.17 -0.09 -0.04 2.29 -1.33 0.00 0.00 177.39 178.38 2byt n LYS 848 N -0.99 1.66 -0.42 3.23 2.85 -1.25 -4.77 118.16 118.48 2byt n LYS 848 Ca 0.00 -3.50 -0.25 0.00 -1.05 0.00 0.00 58.31 53.51 2byt n LYS 848 Cb 0.28 -1.49 0.22 0.00 -0.65 0.00 0.00 35.03 33.38 2byt n LYS 848 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2byt n VAL 849 N -0.27 0.00 -0.21 0.58 0.24 -0.25 -4.70 118.33 113.71 2byt n VAL 849 Ca 0.14 -0.10 -0.07 0.00 -2.04 0.00 0.00 64.34 62.26 2byt n VAL 849 Cb 0.80 -0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 32.36 2byt n VAL 849 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2byt h ARG 850 N -3.01 -0.07 -0.55 7.34 3.08 -1.93 -1.23 114.38 118.01 2byt h ARG 850 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.68 2byt h ARG 850 Cb 1.11 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2byt h ARG 850 CO 0.25 -0.05 0.00 0.27 -1.07 0.00 0.00 179.97 179.37 2byt n ASN 851 N -4.41 4.69 -2.10 7.04 6.94 -1.26 -4.91 115.26 121.25 2byt n ASN 851 Ca 0.00 -2.60 -0.18 0.00 -0.02 0.00 0.00 54.58 51.78 2byt n ASN 851 Cb 0.18 -0.57 -0.03 0.00 -2.36 0.00 0.00 39.78 37.00 2byt n ASN 851 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2byt n VAL 852 N 0.72 -0.55 -0.32 3.53 0.31 -0.47 -4.82 118.33 116.73 2byt n VAL 852 Ca 0.24 0.00 0.22 0.00 -0.01 0.00 0.00 64.34 64.79 2byt n VAL 852 Cb 0.92 -2.27 0.49 0.00 -0.91 0.00 0.00 33.84 32.06 2byt n VAL 852 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2byt h ARG 853 N 0.00 0.41 -0.35 5.55 9.65 -1.89 0.41 114.38 128.17 2byt h ARG 853 Ca -0.41 -0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.53 2byt h ARG 853 Cb 1.27 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.74 2byt h ARG 853 CO 0.52 0.27 0.25 0.00 2.80 0.00 0.00 179.97 183.81 2byt h ALA 854 N 1.63 2.19 0.17 2.80 0.00 -1.87 -1.77 119.26 122.41 2byt h ALA 854 Ca 0.59 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 55.19 2byt h ALA 854 Cb 1.44 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.24 2byt h ALA 854 CO -0.31 -0.28 -1.47 0.45 0.00 0.00 0.00 179.25 177.65 2byt h HIS 855 N 0.11 0.66 0.00 0.00 3.86 -0.48 -1.09 115.15 118.21 2byt h HIS 855 Ca 0.16 -0.48 0.00 0.00 -1.16 0.00 0.00 60.37 58.90 2byt h HIS 855 Cb 0.51 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.96 2byt h HIS 855 CO -0.00 1.57 0.00 1.28 0.86 0.00 0.00 177.93 181.64 2byt n LEU 856 N -3.80 0.00 0.00 2.43 4.32 -0.67 -2.42 117.00 116.86 2byt n LEU 856 Ca -0.22 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.77 2byt n LEU 856 Cb 0.99 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.79 2byt n LEU 856 CO 0.49 0.00 0.00 -0.62 -1.22 0.00 0.00 177.39 176.04 2byt n GLU 857 N -0.49 0.00 -3.60 3.23 1.02 -1.22 -5.02 120.64 114.55 2byt n GLU 857 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 2byt n GLU 857 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 2byt n GLU 857 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2byt s GLY 858 N 0.00 2.82 -0.13 0.62 0.00 -0.41 -4.79 107.32 105.43 2byt s GLY 858 Ca 0.00 -3.56 0.16 0.00 0.00 0.00 0.00 44.72 41.32 2byt s GLY 858 CO 0.00 1.18 1.15 0.28 0.00 0.00 0.00 173.10 175.71 2byt n LYS 859 N 3.02 1.19 0.07 2.90 5.02 -1.26 -4.69 118.16 124.40 2byt n LYS 859 Ca 0.16 -2.54 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 2byt n LYS 859 Cb 0.39 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2byt n LYS 859 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2byt n GLU 860 N -1.21 0.00 -1.54 1.97 4.71 -1.26 -5.18 120.64 118.13 2byt n GLU 860 Ca 0.15 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.31 2byt n GLU 860 Cb 0.66 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 31.09 2byt n GLU 860 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2byt n VAL 861 N -2.94 -2.49 0.00 2.62 0.31 -1.23 -5.02 118.33 109.57 2byt n VAL 861 Ca 0.00 1.29 0.00 0.00 -0.01 0.00 0.00 64.34 65.62 2byt n VAL 861 Cb 0.00 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 30.79 2byt n VAL 861 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2byt n VAL 862 N -2.76 0.00 -3.81 2.52 0.31 0.97 -4.88 118.33 110.68 2byt n VAL 862 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.20 2byt n VAL 862 Cb 0.47 -0.08 -0.10 0.00 -0.91 0.00 0.00 33.84 33.22 2byt n VAL 862 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2byt s LYS 863 N -1.22 0.49 -0.03 5.55 2.20 -1.20 -5.04 119.74 120.48 2byt s LYS 863 Ca 0.00 -0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.51 2byt s LYS 863 Cb 0.00 0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.54 2byt s LYS 863 CO 0.00 -0.11 -0.10 -1.21 -0.36 0.00 0.00 175.35 173.57 2byt s GLU 864 N -0.95 1.09 -0.11 4.03 2.02 -1.26 -0.19 118.70 123.34 2byt s GLU 864 Ca -0.10 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.57 2byt s GLU 864 Cb -0.05 -1.00 -0.02 0.00 0.10 0.00 0.00 34.13 33.16 2byt s GLU 864 CO 0.02 0.10 -0.11 0.42 0.02 0.00 0.00 175.26 175.71 2byt s ILE 865 N 0.29 3.24 -0.07 -1.63 -1.09 -0.04 -4.98 121.20 116.92 2byt s ILE 865 Ca -0.05 -0.62 0.03 0.00 -2.23 0.00 0.00 60.65 57.78 2byt s ILE 865 Cb -0.10 -2.34 0.01 0.00 -1.58 0.00 0.00 42.46 38.45 2byt s ILE 865 CO 0.01 0.55 -0.16 -0.47 -1.23 0.00 0.00 174.94 173.63 2byt s TYR 866 N -0.06 1.78 -0.29 3.97 5.04 -1.26 -0.66 117.35 125.87 2byt s TYR 866 Ca -0.02 -0.65 0.01 0.00 -2.44 0.00 0.00 57.07 53.98 2byt s TYR 866 Cb -0.14 -1.24 0.08 0.00 0.35 0.00 0.00 41.96 41.01 2byt s TYR 866 CO 0.04 -0.29 0.01 0.08 -1.34 0.00 0.00 175.55 174.05 2byt s VAL 867 N 0.45 1.62 0.18 3.14 1.01 -0.58 -5.00 120.40 121.22 2byt s VAL 867 Ca -0.13 -1.62 0.08 0.00 0.00 0.00 0.00 61.98 60.31 2byt s VAL 867 Cb -0.15 -2.05 0.18 0.00 0.00 0.00 0.00 36.38 34.36 2byt s VAL 867 CO 0.05 -0.39 0.79 -2.65 0.00 0.00 0.00 175.10 172.90 2byt n PRO 868 N 4.58 -0.03 0.00 2.72 -0.02 -1.26 -2.89 135.00 138.09 2byt n PRO 868 Ca -0.05 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2byt n PRO 868 Cb 0.43 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 2byt n PRO 868 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2byt n GLY 869 N -1.16 -0.98 2.69 -1.23 0.00 -1.26 -4.74 105.19 98.52 2byt n GLY 869 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 2byt n GLY 869 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2byt n LYS 870 N 0.00 1.24 -3.57 1.61 5.02 -1.14 -4.78 118.16 116.54 2byt n LYS 870 Ca 0.00 -2.75 -0.16 0.00 -2.02 0.00 0.00 58.31 53.38 2byt n LYS 870 Cb 0.00 -0.84 -0.06 0.00 -0.02 0.00 0.00 35.03 34.11 2byt n LYS 870 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2byt s ILE 871 N -2.05 0.00 -0.21 -0.18 1.10 -1.16 -2.23 121.20 116.47 2byt s ILE 871 Ca 0.25 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.35 2byt s ILE 871 Cb 0.43 -1.00 0.11 0.00 0.15 0.00 0.00 42.46 42.15 2byt s ILE 871 CO -0.02 0.00 0.31 -0.22 -2.11 0.00 0.00 174.94 172.91 2byt s LEU 872 N -0.51 -0.41 -0.11 8.50 2.96 -0.56 -1.53 118.68 127.02 2byt s LEU 872 Ca -0.05 0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 54.00 2byt s LEU 872 Cb -0.02 0.83 -0.03 0.00 0.50 0.00 0.00 46.19 47.47 2byt s LEU 872 CO 0.05 -0.30 -0.05 0.21 -1.32 0.00 0.00 176.35 174.95 2byt s ASN 873 N 2.46 4.76 -0.39 3.68 2.47 0.16 -0.27 114.94 127.81 2byt s ASN 873 Ca 0.08 -0.06 -0.05 0.00 0.42 0.00 0.00 52.86 53.25 2byt s ASN 873 Cb -0.15 -1.51 0.09 0.00 -1.45 0.00 0.00 41.25 38.23 2byt s ASN 873 CO -0.13 0.27 0.19 -0.76 -3.72 0.00 0.00 177.10 172.94 2byt s LEU 874 N -0.24 4.98 -0.53 3.21 1.43 -0.15 -0.86 118.68 126.52 2byt s LEU 874 Ca 0.04 -1.72 -0.28 0.00 -1.03 0.00 0.00 54.13 51.15 2byt s LEU 874 Cb -0.13 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.24 2byt s LEU 874 CO 0.02 -0.49 1.51 -0.69 0.23 0.00 0.00 176.35 176.93 2byt s VAL 875 N 1.26 3.71 -2.00 -1.59 1.01 0.73 -2.90 120.40 120.63 2byt s VAL 875 Ca 0.04 0.61 0.31 0.00 0.00 0.00 0.00 61.98 62.94 2byt s VAL 875 Cb -0.22 -4.28 0.87 0.00 0.00 0.00 0.00 36.38 32.74 2byt s VAL 875 CO -0.02 -1.03 2.15 0.52 0.00 0.00 0.00 175.10 176.72