#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5a h LEU 4 N 0.00 0.00 -9.20 3.22 3.38 -1.96 -3.47 115.31 107.28 1a5a h LEU 4 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1a5a h LEU 4 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 1a5a h LEU 4 CO 0.00 0.82 -0.76 -0.76 0.09 0.00 0.00 178.44 177.82 1a5a s LEU 5 N -5.97 2.58 -0.15 1.67 1.43 -1.26 -5.10 118.68 111.88 1a5a s LEU 5 Ca -0.04 -1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 51.75 1a5a s LEU 5 Cb 0.08 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 1a5a s LEU 5 CO 0.82 0.05 1.30 0.21 0.23 0.00 0.00 176.35 178.95 1a5a s ASN 6 N -3.45 6.92 0.00 2.29 2.47 -1.26 -4.88 114.94 117.03 1a5a s ASN 6 Ca 0.29 1.75 0.24 0.00 0.42 0.00 0.00 52.86 55.56 1a5a s ASN 6 Cb -0.05 -2.54 1.22 0.00 -1.45 0.00 0.00 41.25 38.43 1a5a s ASN 6 CO 0.15 -0.77 1.80 -2.65 -3.72 0.00 0.00 177.10 171.90 1a5a n PRO 7 N 6.60 0.36 -4.35 0.43 -0.02 -1.26 -4.85 135.00 131.91 1a5a n PRO 7 Ca 0.14 0.06 -0.28 0.00 -2.02 0.00 0.00 63.50 61.40 1a5a n PRO 7 Cb 0.45 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.32 1a5a n PRO 7 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1a5a s TYR 8 N -2.55 2.47 -0.47 6.00 2.02 -1.26 -0.92 117.35 122.64 1a5a s TYR 8 Ca 0.23 -0.29 0.03 0.00 -0.37 0.00 0.00 57.07 56.67 1a5a s TYR 8 Cb 0.16 -1.24 0.14 0.00 -0.40 0.00 0.00 41.96 40.61 1a5a s TYR 8 CO 0.36 0.47 0.26 -0.06 -1.57 0.00 0.00 175.55 175.01 1a5a s PHE 9 N -1.53 2.32 0.00 2.71 0.08 0.88 -4.98 117.98 117.45 1a5a s PHE 9 Ca 0.21 -2.64 0.00 0.00 0.12 0.00 0.00 56.93 54.62 1a5a s PHE 9 Cb -0.09 -2.13 0.00 0.00 -0.57 0.00 0.00 43.02 40.23 1a5a s PHE 9 CO 0.11 -0.76 0.00 0.41 -0.10 0.00 0.00 175.22 174.88 1a5a n GLY 10 N 3.36 2.14 0.49 4.36 0.00 -1.26 -1.48 105.19 112.80 1a5a n GLY 10 Ca 0.09 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.87 1a5a n GLY 10 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1a5a n GLU 11 N 12.94 1.54 -4.00 1.61 0.00 -1.26 -4.91 120.64 126.57 1a5a n GLU 11 Ca 0.00 -0.98 -0.35 0.00 0.00 0.00 0.00 57.16 55.83 1a5a n GLU 11 Cb 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 31.44 29.90 1a5a n GLU 11 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1a5a s PHE 12 N -2.13 3.46 0.00 -1.84 0.08 -0.55 -4.87 117.98 112.13 1a5a s PHE 12 Ca 0.33 0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.75 1a5a s PHE 12 Cb 0.20 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.81 1a5a s PHE 12 CO 0.38 0.64 0.00 0.41 -0.10 0.00 0.00 175.22 176.55 1a5a n GLY 13 N 1.56 0.08 2.73 4.36 0.00 -0.41 -0.09 105.19 113.41 1a5a n GLY 13 Ca -0.16 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1a5a n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5a n GLY 14 N 0.00 -2.25 2.29 -0.02 0.00 -0.10 -0.31 105.19 104.80 1a5a n GLY 14 Ca 0.00 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 1a5a n GLY 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a5a n MET 15 N -0.13 0.98 -1.89 1.61 2.81 -1.25 -1.78 117.12 117.46 1a5a n MET 15 Ca 0.00 -3.50 -0.41 0.00 -1.81 0.00 0.00 57.70 51.98 1a5a n MET 15 Cb 0.00 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.01 1a5a n MET 15 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1a5a n TYR 16 N 1.55 2.84 -4.41 2.03 4.02 0.31 -4.92 117.16 118.59 1a5a n TYR 16 Ca 0.24 -2.90 -0.26 0.00 -0.01 0.00 0.00 57.90 54.96 1a5a n TYR 16 Cb 0.50 -2.16 -0.12 0.00 -0.02 0.00 0.00 39.34 37.54 1a5a n TYR 16 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1a5a s VAL 17 N 0.91 2.28 0.61 -0.72 -7.23 -1.26 -3.94 120.40 111.04 1a5a s VAL 17 Ca 0.52 -2.03 -0.18 0.00 -1.81 0.00 0.00 61.98 58.47 1a5a s VAL 17 Cb 0.15 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 1a5a s VAL 17 CO -0.06 -0.15 1.01 -2.65 -0.31 0.00 0.00 175.10 172.94 1a5a n PRO 18 N 0.24 0.93 -0.34 4.82 -0.02 -1.26 -4.83 135.00 134.54 1a5a n PRO 18 Ca -0.12 0.36 0.21 0.00 -2.02 0.00 0.00 63.50 61.93 1a5a n PRO 18 Cb 0.56 -2.22 0.45 0.00 -0.02 0.00 0.00 33.50 32.27 1a5a n PRO 18 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1a5a h GLN 19 N 0.50 0.44 -0.45 -0.52 5.75 -1.99 -1.17 115.11 117.68 1a5a h GLN 19 Ca -0.49 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.06 1a5a h GLN 19 Cb 1.36 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.79 1a5a h GLN 19 CO 0.51 0.29 0.30 0.97 -2.65 0.00 0.00 178.83 178.26 1a5a h ILE 20 N 0.45 0.91 0.00 2.39 2.10 -1.99 -2.00 117.51 119.38 1a5a h ILE 20 Ca 0.67 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 66.52 1a5a h ILE 20 Cb 1.47 0.62 0.00 0.00 -1.09 0.00 0.00 36.82 37.82 1a5a h ILE 20 CO -0.48 0.05 -0.18 0.18 -1.08 0.00 0.00 178.15 176.63 1a5a n LEU 21 N -4.47 0.20 -0.20 2.19 4.77 -0.44 -4.21 117.00 114.85 1a5a n LEU 21 Ca 0.06 0.32 -0.07 0.00 -0.03 0.00 0.00 56.01 56.29 1a5a n LEU 21 Cb 0.33 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1a5a n LEU 21 CO 0.35 0.04 1.01 0.24 -1.33 0.00 0.00 177.39 177.69 1a5a h MET 22 N 0.00 0.82 -0.81 3.23 2.86 -1.42 -2.60 114.93 117.01 1a5a h MET 22 Ca 0.00 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1a5a h MET 22 Cb 0.51 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1a5a h MET 22 CO 0.00 0.67 0.53 -1.35 1.06 0.00 0.00 176.91 177.83 1a5a h PRO 23 N 0.77 1.06 -0.82 -0.22 0.11 -1.76 0.10 132.00 131.24 1a5a h PRO 23 Ca 0.19 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1a5a h PRO 23 Cb 0.13 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 30.96 1a5a h PRO 23 CO -0.02 0.70 0.52 0.00 -0.21 0.00 0.00 178.00 178.99 1a5a h ALA 24 N 1.50 1.04 -0.30 -0.75 0.00 -1.74 0.16 119.26 119.17 1a5a h ALA 24 Ca 0.30 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 1a5a h ALA 24 Cb -0.12 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.34 1a5a h ALA 24 CO -0.07 0.47 -0.42 -0.07 0.00 0.00 0.00 179.25 179.17 1a5a h LEU 25 N 1.11 0.89 -0.65 0.00 3.38 -1.02 -2.34 115.31 116.68 1a5a h LEU 25 Ca 0.30 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1a5a h LEU 25 Cb -0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 1a5a h LEU 25 CO -0.06 1.22 0.16 0.78 0.09 0.00 0.00 178.44 180.63 1a5a h ASN 26 N 0.58 0.99 -0.46 -0.43 -0.26 -0.42 -0.28 115.58 115.30 1a5a h ASN 26 Ca 0.03 -0.23 -0.13 0.00 -0.56 0.00 0.00 56.30 55.41 1a5a h ASN 26 Cb 1.01 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 38.00 1a5a h ASN 26 CO 0.10 0.96 -0.21 0.06 -1.06 0.00 0.00 177.43 177.28 1a5a h GLN 27 N 0.97 0.98 -0.60 0.81 3.07 -0.97 -2.00 115.11 117.36 1a5a h GLN 27 Ca 0.20 -0.41 -0.03 0.00 0.09 0.00 0.00 58.65 58.50 1a5a h GLN 27 Cb 0.36 -0.03 -0.03 0.00 0.08 0.00 0.00 27.48 27.86 1a5a h GLN 27 CO 0.00 1.08 0.25 1.25 0.09 0.00 0.00 178.83 181.51 1a5a h LEU 28 N 0.84 0.81 -0.35 0.06 5.85 -1.18 -1.04 115.31 120.31 1a5a h LEU 28 Ca 0.11 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1a5a h LEU 28 Cb 0.79 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1a5a h LEU 28 CO 0.07 0.75 0.18 -0.08 -0.34 0.00 0.00 178.44 179.01 1a5a h GLU 29 N 0.82 0.50 -0.55 1.25 4.81 -0.87 -0.49 114.58 120.05 1a5a h GLU 29 Ca 0.20 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1a5a h GLU 29 Cb 0.18 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1a5a h GLU 29 CO -0.02 0.44 0.13 1.49 -0.73 0.00 0.00 179.01 180.31 1a5a h GLU 30 N 0.43 0.85 -0.51 1.92 4.81 -1.20 -1.36 114.58 119.51 1a5a h GLU 30 Ca 0.12 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1a5a h GLU 30 Cb 0.10 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1a5a h GLU 30 CO -0.02 0.76 -0.09 0.00 -0.73 0.00 0.00 179.01 178.93 1a5a h ALA 31 N 1.32 0.88 -0.11 2.92 0.00 -0.83 -2.38 119.26 121.06 1a5a h ALA 31 Ca 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1a5a h ALA 31 Cb 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1a5a h ALA 31 CO -0.00 0.64 0.04 0.35 0.00 0.00 0.00 179.25 180.28 1a5a h PHE 32 N 0.84 0.17 -0.66 0.00 3.57 -0.66 -0.13 116.94 120.06 1a5a h PHE 32 Ca 0.14 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1a5a h PHE 32 Cb 0.62 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 1a5a h PHE 32 CO 0.04 0.28 0.41 0.28 -2.23 0.00 0.00 178.31 177.09 1a5a h VAL 33 N 0.01 1.09 -0.44 1.41 2.07 -1.19 0.14 116.25 119.34 1a5a h VAL 33 Ca 0.04 -0.28 -0.13 0.00 0.82 0.00 0.00 66.70 67.15 1a5a h VAL 33 Cb 0.18 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1a5a h VAL 33 CO -0.00 0.15 -0.22 0.08 0.02 0.00 0.00 177.57 177.60 1a5a h ARG 34 N 0.81 0.92 -0.80 1.57 0.11 -1.38 -2.93 114.38 112.69 1a5a h ARG 34 Ca 0.26 -0.40 -0.01 0.00 0.10 0.00 0.00 59.98 59.93 1a5a h ARG 34 Cb 0.01 -0.02 -0.04 0.00 1.11 0.00 0.00 29.97 31.02 1a5a h ARG 34 CO -0.10 1.06 0.47 0.00 0.10 0.00 0.00 179.97 181.50 1a5a h ALA 35 N 0.83 1.02 0.00 0.08 0.00 -0.49 -2.22 119.26 118.48 1a5a h ALA 35 Ca 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1a5a h ALA 35 Cb 0.79 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1a5a h ALA 35 CO 0.07 0.49 -0.09 1.96 0.00 0.00 0.00 179.25 181.68 1a5a h GLN 36 N 1.09 0.00 -0.10 0.00 1.08 -0.58 -1.99 115.11 114.61 1a5a h GLN 36 Ca 0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 1a5a h GLN 36 Cb -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1a5a h GLN 36 CO -0.05 0.09 0.00 0.36 -0.95 0.00 0.00 178.83 178.27 1a5a n LYS 37 N -3.66 2.02 -3.33 1.46 2.85 -0.93 -4.89 118.16 111.68 1a5a n LYS 37 Ca -0.02 -1.85 -0.42 0.00 -1.05 0.00 0.00 58.31 54.97 1a5a n LYS 37 Cb 0.20 -1.42 -0.09 0.00 -0.65 0.00 0.00 35.03 33.07 1a5a n LYS 37 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1a5a s ASP 38 N -1.66 6.21 0.56 -5.58 2.15 -0.75 -4.94 116.67 112.67 1a5a s ASP 38 Ca 0.27 -0.43 0.25 0.00 0.43 0.00 0.00 52.55 53.07 1a5a s ASP 38 Cb 0.18 -2.22 1.58 0.00 -0.30 0.00 0.00 42.92 42.16 1a5a s ASP 38 CO 0.27 -0.49 2.17 1.55 -0.17 0.00 0.00 175.17 178.49 1a5a h PRO 39 N 8.61 0.00 -0.27 4.34 0.13 -1.90 -1.59 132.00 141.32 1a5a h PRO 39 Ca -0.28 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.77 1a5a h PRO 39 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1a5a h PRO 39 CO 0.76 0.00 -0.14 0.93 -0.23 0.00 0.00 178.00 179.32 1a5a h GLU 40 N 0.00 0.57 -0.40 0.86 4.39 -1.93 0.65 114.58 118.73 1a5a h GLU 40 Ca 0.04 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 1a5a h GLU 40 Cb 0.20 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1a5a h GLU 40 CO -0.00 0.82 0.13 0.35 -1.16 0.00 0.00 179.01 179.16 1a5a h PHE 41 N 0.30 0.63 -0.52 4.33 3.04 -1.59 -1.52 116.94 121.61 1a5a h PHE 41 Ca 0.06 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1a5a h PHE 41 Cb 0.66 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.96 1a5a h PHE 41 CO 0.06 0.58 0.32 1.96 -2.02 0.00 0.00 178.31 179.22 1a5a h GLN 42 N 0.50 0.71 -0.72 1.11 1.08 -1.33 0.19 115.11 116.65 1a5a h GLN 42 Ca 0.13 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1a5a h GLN 42 Cb 0.24 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1a5a h GLN 42 CO -0.01 0.51 0.37 0.00 -0.95 0.00 0.00 178.83 178.75 1a5a h ALA 43 N 1.16 0.92 -0.27 3.87 0.00 -0.71 -0.85 119.26 123.39 1a5a h ALA 43 Ca 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1a5a h ALA 43 Cb -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1a5a h ALA 43 CO -0.04 0.47 0.02 0.37 0.00 0.00 0.00 179.25 180.07 1a5a h GLN 44 N 1.00 0.46 -0.07 0.00 5.75 -0.81 -1.52 115.11 119.92 1a5a h GLN 44 Ca 0.25 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1a5a h GLN 44 Cb 0.08 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 1a5a h GLN 44 CO -0.04 0.60 0.05 0.35 -2.65 0.00 0.00 178.83 177.14 1a5a h PHE 45 N 0.25 0.09 -0.68 3.99 3.57 -0.42 -2.60 116.94 121.14 1a5a h PHE 45 Ca 0.08 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1a5a h PHE 45 Cb 0.38 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1a5a h PHE 45 CO 0.03 0.07 0.44 0.00 -2.23 0.00 0.00 178.31 176.63 1a5a h ALA 46 N 1.01 0.87 -0.63 2.41 0.00 -1.11 -0.99 119.26 120.82 1a5a h ALA 46 Ca 0.03 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1a5a h ALA 46 Cb 0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1a5a h ALA 46 CO -0.01 0.26 0.40 0.22 0.00 0.00 0.00 179.25 180.13 1a5a h ASP 47 N 0.89 0.68 -0.26 0.00 3.58 -1.18 0.32 116.42 120.45 1a5a h ASP 47 Ca 0.26 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.68 1a5a h ASP 47 Cb -0.07 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 1a5a h ASP 47 CO -0.07 0.48 0.08 -0.07 -2.88 0.00 0.00 179.24 176.77 1a5a h LEU 48 N 0.80 0.38 -0.54 2.28 3.38 -1.01 0.20 115.31 120.80 1a5a h LEU 48 Ca 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1a5a h LEU 48 Cb -0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1a5a h LEU 48 CO -0.08 0.49 0.35 -0.07 0.09 0.00 0.00 178.44 179.22 1a5a h LEU 49 N 0.25 0.63 0.26 1.67 3.38 -0.94 0.60 115.31 121.16 1a5a h LEU 49 Ca 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1a5a h LEU 49 Cb 0.25 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1a5a h LEU 49 CO -0.00 0.47 -0.12 0.50 0.09 0.00 0.00 178.44 179.37 1a5a h LYS 50 N 0.73 -0.34 0.00 1.13 3.64 -0.83 0.84 116.57 121.75 1a5a h LYS 50 Ca 0.20 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1a5a h LYS 50 Cb -0.06 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1a5a h LYS 50 CO -0.04 -0.22 0.00 -0.91 -2.27 0.00 0.00 179.45 176.00 1a5a h ASN 51 N -0.73 0.00 0.00 4.20 2.35 -0.70 -2.85 115.58 117.86 1a5a h ASN 51 Ca -0.04 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.44 1a5a h ASN 51 Cb 0.27 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 1a5a h ASN 51 CO 0.06 0.00 -1.92 0.00 -1.65 0.00 0.00 177.43 173.92 1a5a n TYR 52 N -2.95 0.00 0.07 1.19 9.36 0.02 -4.76 117.16 120.10 1a5a n TYR 52 Ca 0.04 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.20 1a5a n TYR 52 Cb 0.47 -0.59 -0.07 0.00 -0.63 0.00 0.00 39.34 38.52 1a5a n TYR 52 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1a5a h ALA 53 N -0.59 0.45 0.00 2.98 0.00 -0.81 -3.45 119.26 117.84 1a5a h ALA 53 Ca -0.42 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.65 1a5a h ALA 53 Cb 1.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1a5a h ALA 53 CO -0.25 1.16 0.00 0.41 0.00 0.00 0.00 179.25 180.57 1a5a n GLY 54 N 1.20 1.81 3.89 0.00 0.00 0.15 -1.42 105.19 110.81 1a5a n GLY 54 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1a5a n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5a s ARG 55 N -0.81 3.73 0.45 1.61 0.52 -0.37 -4.23 118.95 119.86 1a5a s ARG 55 Ca 0.00 0.23 -0.21 0.00 -0.52 0.00 0.00 55.73 55.23 1a5a s ARG 55 Cb 0.00 -2.57 -0.09 0.00 0.52 0.00 0.00 34.95 32.81 1a5a s ARG 55 CO 0.00 0.17 1.01 -1.25 0.02 0.00 0.00 175.30 175.25 1a5a s PRO 56 N -3.41 4.00 0.54 3.54 0.04 -1.26 -4.34 135.00 134.11 1a5a s PRO 56 Ca 0.47 1.30 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 1a5a s PRO 56 Cb -0.11 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 1a5a s PRO 56 CO 0.27 -0.25 1.00 0.95 0.04 0.00 0.00 177.00 179.01 1a5a s THR 57 N -2.00 4.51 0.75 1.26 -4.23 -1.26 -5.03 115.64 109.63 1a5a s THR 57 Ca 0.64 1.13 -0.11 0.00 -1.18 0.00 0.00 61.69 62.16 1a5a s THR 57 Cb -0.15 -3.72 0.05 0.00 1.34 0.00 0.00 72.50 70.02 1a5a s THR 57 CO 0.18 -0.76 1.09 0.00 -0.54 0.00 0.00 174.62 174.60 1a5a s ALA 58 N -2.72 2.31 -0.37 3.99 0.00 -1.26 -4.78 121.76 118.93 1a5a s ALA 58 Ca 0.58 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.88 1a5a s ALA 58 Cb -0.11 -3.28 0.11 0.00 0.00 0.00 0.00 23.12 19.85 1a5a s ALA 58 CO 0.36 -1.67 0.11 -1.17 0.00 0.00 0.00 175.76 173.39 1a5a s LEU 59 N -5.73 4.17 -0.21 0.00 2.96 -1.26 -0.51 118.68 118.09 1a5a s LEU 59 Ca 0.62 -2.27 -0.21 0.00 -0.22 0.00 0.00 54.13 52.05 1a5a s LEU 59 Cb -0.18 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 1a5a s LEU 59 CO 0.54 -0.35 0.65 -0.89 -1.32 0.00 0.00 176.35 174.97 1a5a s THR 60 N 0.75 5.00 -0.19 3.68 2.01 -0.05 -4.82 115.64 122.01 1a5a s THR 60 Ca 0.12 1.21 -0.26 0.00 0.31 0.00 0.00 61.69 63.07 1a5a s THR 60 Cb -0.20 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 1a5a s THR 60 CO -0.09 0.08 0.87 -0.75 -0.69 0.00 0.00 174.62 174.04 1a5a s LYS 61 N 2.12 4.27 -0.75 4.92 2.20 -1.26 0.38 119.74 131.61 1a5a s LYS 61 Ca 0.29 1.06 -0.10 0.00 -0.36 0.00 0.00 55.97 56.86 1a5a s LYS 61 Cb -0.16 -3.60 0.20 0.00 -1.51 0.00 0.00 37.83 32.76 1a5a s LYS 61 CO 0.10 -0.42 0.65 0.00 -0.36 0.00 0.00 175.35 175.32 1a5a h GLN 63 N 7.55 0.75 -0.58 0.00 4.20 -1.95 -3.32 115.11 121.77 1a5a h GLN 63 Ca 0.05 -0.62 0.08 0.00 0.06 0.00 0.00 58.65 58.22 1a5a h GLN 63 Cb 1.01 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.86 1a5a h GLN 63 CO 0.75 1.23 0.23 -0.91 -0.67 0.00 0.00 178.83 179.45 1a5a h ASN 64 N 0.51 0.25 0.69 1.46 2.35 -1.91 -1.85 115.58 117.08 1a5a h ASN 64 Ca -0.05 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1a5a h ASN 64 Cb 1.41 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.81 1a5a h ASN 64 CO 0.16 0.16 -0.15 0.16 -1.65 0.00 0.00 177.43 176.11 1a5a h ILE 65 N 0.42 0.46 -0.41 2.81 3.07 -1.81 -3.13 117.51 118.92 1a5a h ILE 65 Ca 0.28 -0.77 0.00 0.00 1.55 0.00 0.00 64.86 65.92 1a5a h ILE 65 Cb 0.31 1.54 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 1a5a h ILE 65 CO -0.27 0.14 0.00 0.35 -1.05 0.00 0.00 178.15 177.33 1a5a n THR 66 N -3.42 1.02 -1.74 0.16 -2.24 -0.83 -5.02 114.28 102.20 1a5a n THR 66 Ca -0.01 -1.01 -0.42 0.00 -2.27 0.00 0.00 64.05 60.34 1a5a n THR 66 Cb 0.33 0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 1a5a n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5a n ALA 67 N 0.68 2.38 -0.79 6.98 0.00 -0.76 -2.31 120.51 126.69 1a5a n ALA 67 Ca 0.14 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1a5a n ALA 67 Cb 0.47 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1a5a n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5a n GLY 68 N 1.79 0.66 3.33 0.00 0.00 -1.26 -5.03 105.19 104.67 1a5a n GLY 68 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 1a5a n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a5a s THR 69 N -2.31 0.78 -0.80 2.61 -4.23 -0.98 -4.97 115.64 105.75 1a5a s THR 69 Ca 0.00 -2.01 0.12 0.00 -1.18 0.00 0.00 61.69 58.62 1a5a s THR 69 Cb 0.00 -2.50 0.57 0.00 1.34 0.00 0.00 72.50 71.92 1a5a s THR 69 CO 0.00 -0.16 1.41 0.54 -0.54 0.00 0.00 174.62 175.87 1a5a n ARG 70 N -0.45 3.49 -3.39 3.99 1.74 -0.11 -4.90 116.66 117.04 1a5a n ARG 70 Ca -0.03 -2.22 -0.38 0.00 -0.77 0.00 0.00 57.85 54.45 1a5a n ARG 70 Cb 0.65 -1.92 -0.06 0.00 -1.02 0.00 0.00 32.46 30.11 1a5a n ARG 70 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1a5a s THR 71 N -2.06 5.13 -0.23 0.55 2.01 -1.25 -2.33 115.64 117.45 1a5a s THR 71 Ca 0.39 0.89 -0.03 0.00 0.31 0.00 0.00 61.69 63.25 1a5a s THR 71 Cb 0.28 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1a5a s THR 71 CO 0.15 0.42 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.56 1a5a s THR 72 N 0.02 3.20 -0.06 -0.82 2.01 0.08 -4.82 115.64 115.25 1a5a s THR 72 Ca 0.24 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.59 1a5a s THR 72 Cb -0.16 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 1a5a s THR 72 CO 0.11 0.34 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.03 1a5a s LEU 73 N 1.43 2.79 0.04 4.42 2.96 -1.26 -0.71 118.68 128.34 1a5a s LEU 73 Ca 0.04 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 53.83 1a5a s LEU 73 Cb -0.15 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 1a5a s LEU 73 CO -0.04 0.34 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.85 1a5a s TYR 74 N -0.69 1.50 -0.16 5.38 1.51 -0.64 -1.25 117.35 123.00 1a5a s TYR 74 Ca 0.10 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1a5a s TYR 74 Cb -0.11 -0.90 0.00 0.00 -0.11 0.00 0.00 41.96 40.85 1a5a s TYR 74 CO 0.01 0.06 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.83 1a5a s LEU 75 N -1.09 2.36 -0.25 -1.29 1.43 0.16 -1.61 118.68 118.38 1a5a s LEU 75 Ca 0.05 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.33 1a5a s LEU 75 Cb -0.08 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.61 1a5a s LEU 75 CO 0.01 0.06 1.21 -0.75 0.23 0.00 0.00 176.35 177.11 1a5a s LYS 76 N 0.96 4.09 -1.50 1.70 2.47 -0.39 -0.87 119.74 126.19 1a5a s LYS 76 Ca -0.03 1.35 -0.13 0.00 -1.56 0.00 0.00 55.97 55.61 1a5a s LYS 76 Cb -0.15 -3.79 0.01 0.00 -1.46 0.00 0.00 37.83 32.44 1a5a s LYS 76 CO -0.03 -0.89 2.43 0.54 0.16 0.00 0.00 175.35 177.56 1a5a n ARG 77 N 6.89 3.14 0.04 4.03 5.12 0.33 -1.20 116.66 135.00 1a5a n ARG 77 Ca 0.14 -2.53 0.13 0.00 -1.93 0.00 0.00 57.85 53.65 1a5a n ARG 77 Cb 0.46 -3.13 0.51 0.00 -1.16 0.00 0.00 32.46 29.14 1a5a n ARG 77 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1a5a n GLU 78 N 5.26 0.09 0.22 5.56 -0.58 -0.86 -2.32 120.64 128.00 1a5a n GLU 78 Ca 0.59 0.13 0.15 0.00 -0.42 0.00 0.00 57.16 57.61 1a5a n GLU 78 Cb 0.34 -1.62 0.59 0.00 -0.57 0.00 0.00 31.44 30.19 1a5a n GLU 78 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1a5a h ASP 79 N 0.00 0.00 -0.09 1.62 2.03 -1.64 -2.71 116.42 115.63 1a5a h ASP 79 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1a5a h ASP 79 Cb 0.53 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 1a5a h ASP 79 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.39 1a5a n LEU 80 N -2.74 2.12 -4.79 0.15 4.77 -0.98 -4.37 117.00 111.16 1a5a n LEU 80 Ca 0.01 -0.77 -0.36 0.00 -0.03 0.00 0.00 56.01 54.87 1a5a n LEU 80 Cb 0.28 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 1a5a n LEU 80 CO 0.25 0.38 0.70 -0.22 -1.33 0.00 0.00 177.39 177.17 1a5a s LEU 81 N -1.86 4.13 -0.02 2.23 2.96 -1.02 -4.95 118.68 120.14 1a5a s LEU 81 Ca 0.34 1.91 -0.36 0.00 -0.22 0.00 0.00 54.13 55.81 1a5a s LEU 81 Cb 0.20 -4.24 -0.14 0.00 0.50 0.00 0.00 46.19 42.51 1a5a s LEU 81 CO 0.31 -0.39 1.68 1.57 -1.32 0.00 0.00 176.35 178.20 1a5a n HIS 82 N -0.10 2.13 0.00 5.38 -0.00 -0.51 -1.02 115.22 121.10 1a5a n HIS 82 Ca 0.05 0.28 0.00 0.00 -0.00 0.00 0.00 57.72 58.05 1a5a n HIS 82 Cb 0.51 -2.54 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 1a5a n HIS 82 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1a5a n GLY 83 N 3.75 2.92 0.59 1.57 0.00 -1.26 -4.59 105.19 108.18 1a5a n GLY 83 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1a5a n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5a n GLY 84 N -1.19 1.51 3.53 -0.02 0.00 -0.19 -5.02 105.19 103.81 1a5a n GLY 84 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1a5a n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5a s ALA 85 N -2.34 0.01 0.46 4.61 0.00 -1.25 -0.70 121.76 122.55 1a5a s ALA 85 Ca 0.00 -1.03 0.28 0.00 0.00 0.00 0.00 51.96 51.22 1a5a s ALA 85 Cb 0.00 1.12 1.56 0.00 0.00 0.00 0.00 23.12 25.80 1a5a s ALA 85 CO 0.00 -0.81 2.13 1.12 0.00 0.00 0.00 175.76 178.19 1a5a h HIS 86 N 2.31 0.00 -1.15 0.00 -0.00 -1.23 -3.20 115.15 111.88 1a5a h HIS 86 Ca -0.28 0.00 0.38 0.00 -0.00 0.00 0.00 60.37 60.47 1a5a h HIS 86 Cb 1.25 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 28.52 1a5a h HIS 86 CO 0.42 0.08 0.70 0.87 -0.00 0.00 0.00 177.93 180.01 1a5a h LYS 87 N 0.00 0.17 -0.96 5.12 1.57 -1.94 -1.85 116.57 118.68 1a5a h LYS 87 Ca -0.00 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 1a5a h LYS 87 Cb 0.24 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.43 1a5a h LYS 87 CO 0.01 0.12 0.59 1.15 -0.57 0.00 0.00 179.45 180.75 1a5a h THR 88 N 0.18 0.89 0.02 -0.16 2.02 -1.83 -2.72 112.91 111.32 1a5a h THR 88 Ca 0.77 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 67.67 1a5a h THR 88 Cb 2.14 -0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 1a5a h THR 88 CO -0.51 0.17 -0.38 0.78 0.37 0.00 0.00 175.52 175.95 1a5a h ASN 89 N 0.92 -1.13 0.04 4.18 2.35 -1.61 -2.18 115.58 118.15 1a5a h ASN 89 Ca 0.48 0.14 -0.18 0.00 -0.55 0.00 0.00 56.30 56.19 1a5a h ASN 89 Cb 0.50 0.44 -0.00 0.00 0.05 0.00 0.00 38.32 39.31 1a5a h ASN 89 CO -0.28 -0.43 -0.64 0.06 -1.65 0.00 0.00 177.43 174.50 1a5a h GLN 90 N -0.55 0.58 -0.44 0.81 -0.00 -1.43 -2.95 115.11 111.13 1a5a h GLN 90 Ca 0.05 -0.41 0.06 0.00 -0.00 0.00 0.00 58.65 58.35 1a5a h GLN 90 Cb 0.62 0.07 -0.02 0.00 -0.00 0.00 0.00 27.48 28.14 1a5a h GLN 90 CO -0.28 1.03 0.30 -0.24 -0.00 0.00 0.00 178.83 179.63 1a5a h VAL 91 N 0.42 0.95 0.01 1.86 3.04 -1.36 0.88 116.25 122.06 1a5a h VAL 91 Ca -0.01 -0.12 -0.27 0.00 -1.01 0.00 0.00 66.70 65.29 1a5a h VAL 91 Cb 1.21 0.59 0.02 0.00 -2.01 0.00 0.00 31.29 31.09 1a5a h VAL 91 CO 0.12 0.06 -1.06 -0.07 -1.01 0.00 0.00 177.57 175.61 1a5a h LEU 92 N 0.34 0.90 -0.55 3.16 3.38 -1.26 -2.57 115.31 118.71 1a5a h LEU 92 Ca 0.19 -0.73 -0.13 0.00 0.09 0.00 0.00 57.88 57.31 1a5a h LEU 92 Cb 0.34 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1a5a h LEU 92 CO -0.04 1.53 -0.22 1.23 0.09 0.00 0.00 178.44 181.03 1a5a h GLY 93 N 0.43 1.01 1.38 0.83 0.00 -1.16 -2.51 103.07 103.06 1a5a h GLY 93 Ca -0.13 -0.89 -0.11 0.00 0.00 0.00 0.00 47.33 46.20 1a5a h GLY 93 CO 0.21 0.81 -0.24 1.46 0.00 0.00 0.00 176.54 178.78 1a5a h GLN 94 N 0.81 0.71 -0.63 4.80 4.20 -0.91 -1.90 115.11 122.19 1a5a h GLN 94 Ca 0.11 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 1a5a h GLN 94 Cb 0.78 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 1a5a h GLN 94 CO 0.06 0.88 0.15 0.00 -0.67 0.00 0.00 178.83 179.25 1a5a h ALA 95 N 1.12 0.83 0.00 3.87 0.00 -1.39 0.21 119.26 123.90 1a5a h ALA 95 Ca 0.09 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1a5a h ALA 95 Cb 0.73 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1a5a h ALA 95 CO 0.06 0.54 -0.27 -0.07 0.00 0.00 0.00 179.25 179.52 1a5a h LEU 96 N 0.92 0.00 -0.04 0.00 3.38 -1.26 -1.80 115.31 116.52 1a5a h LEU 96 Ca 0.20 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.95 1a5a h LEU 96 Cb 0.37 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.13 1a5a h LEU 96 CO 0.00 0.27 -0.80 0.25 0.09 0.00 0.00 178.44 178.25 1a5a h LEU 97 N 0.00 0.77 -1.05 1.67 5.85 -0.89 -1.49 115.31 120.17 1a5a h LEU 97 Ca -0.00 -0.71 -0.01 0.00 0.84 0.00 0.00 57.88 57.99 1a5a h LEU 97 Cb 0.52 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1a5a h LEU 97 CO 0.03 1.38 0.49 0.00 -0.34 0.00 0.00 178.44 180.00 1a5a h ALA 98 N 0.41 1.28 -0.43 1.25 0.00 -0.54 -1.99 119.26 119.24 1a5a h ALA 98 Ca -0.09 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1a5a h ALA 98 Cb 1.47 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1a5a h ALA 98 CO 0.16 0.60 -0.27 0.87 0.00 0.00 0.00 179.25 180.61 1a5a h LYS 99 N 1.16 0.94 -0.17 0.00 1.57 -1.33 -0.36 116.57 118.39 1a5a h LYS 99 Ca 0.30 -0.44 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1a5a h LYS 99 Cb -0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1a5a h LYS 99 CO -0.05 1.10 0.12 -0.09 -0.57 0.00 0.00 179.45 179.95 1a5a h ARG 100 N 0.77 0.12 -0.20 3.15 2.43 -0.78 0.62 114.38 120.49 1a5a h ARG 100 Ca 0.09 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1a5a h ARG 100 Cb 0.86 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1a5a h ARG 100 CO 0.08 0.08 0.00 -1.33 -1.51 0.00 0.00 179.97 177.28 1a5a n MET 101 N -4.51 1.54 -1.50 0.20 2.81 -0.79 -4.90 117.12 109.97 1a5a n MET 101 Ca 0.00 -0.82 -0.12 0.00 -1.81 0.00 0.00 57.70 54.95 1a5a n MET 101 Cb 0.16 -1.24 -0.05 0.00 -0.71 0.00 0.00 33.22 31.39 1a5a n MET 101 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a5a n GLY 102 N 0.93 1.09 3.87 3.03 0.00 0.21 -5.00 105.19 109.32 1a5a n GLY 102 Ca 0.10 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1a5a n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5a s LYS 103 N -3.30 3.80 0.00 1.61 1.02 -0.19 -4.95 119.74 117.74 1a5a s LYS 103 Ca 0.00 0.25 0.04 0.00 0.02 0.00 0.00 55.97 56.27 1a5a s LYS 103 Cb 0.00 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.50 1a5a s LYS 103 CO 0.00 0.41 0.23 -1.13 -0.92 0.00 0.00 175.35 173.94 1a5a n SER 104 N 0.23 0.38 -4.53 2.83 3.41 -0.84 -4.20 113.62 110.90 1a5a n SER 104 Ca -0.02 -0.69 -0.25 0.00 -0.26 0.00 0.00 58.87 57.65 1a5a n SER 104 Cb 0.52 0.82 -0.10 0.00 -0.26 0.00 0.00 64.21 65.19 1a5a n SER 104 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1a5a s GLU 105 N -1.15 1.89 -0.02 4.33 2.02 -1.11 -0.38 118.70 124.28 1a5a s GLU 105 Ca 0.02 -1.49 0.02 0.00 0.02 0.00 0.00 54.97 53.54 1a5a s GLU 105 Cb 0.03 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.27 1a5a s GLU 105 CO 0.13 0.38 -0.06 0.42 0.02 0.00 0.00 175.26 176.15 1a5a s ILE 106 N -2.04 0.55 -0.04 -1.63 -1.09 0.12 -1.26 121.20 115.81 1a5a s ILE 106 Ca 0.27 -0.24 0.07 0.00 -2.23 0.00 0.00 60.65 58.52 1a5a s ILE 106 Cb -0.07 -0.51 -0.02 0.00 -1.58 0.00 0.00 42.46 40.29 1a5a s ILE 106 CO 0.15 0.18 -0.25 -0.63 -1.23 0.00 0.00 174.94 173.16 1a5a s ILE 107 N 0.23 2.08 0.30 2.92 1.01 0.09 -0.94 121.20 126.89 1a5a s ILE 107 Ca -0.03 -1.08 -0.07 0.00 0.00 0.00 0.00 60.65 59.47 1a5a s ILE 107 Cb -0.07 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 40.70 1a5a s ILE 107 CO -0.00 0.58 0.53 0.00 0.00 0.00 0.00 174.94 176.04 1a5a n ALA 108 N 2.65 -0.93 -3.46 9.38 0.00 -0.86 0.02 120.51 127.31 1a5a n ALA 108 Ca -0.17 -1.12 -0.16 0.00 0.00 0.00 0.00 53.44 51.99 1a5a n ALA 108 Cb 0.51 0.90 -0.05 0.00 0.00 0.00 0.00 19.45 20.82 1a5a n ALA 108 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1a5a s GLU 109 N -2.31 1.12 0.11 0.00 1.03 -1.25 -0.46 118.70 116.94 1a5a s GLU 109 Ca 0.17 -0.02 -0.05 0.00 0.03 0.00 0.00 54.97 55.10 1a5a s GLU 109 Cb -0.03 0.52 -0.02 0.00 -0.80 0.00 0.00 34.13 33.80 1a5a s GLU 109 CO 0.12 -0.40 0.12 0.95 -1.33 0.00 0.00 175.26 174.72 1a5a s THR 110 N -2.11 0.13 0.00 1.83 -4.23 -0.30 -4.61 115.64 106.35 1a5a s THR 110 Ca -0.07 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 1a5a s THR 110 Cb -0.00 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.13 1a5a s THR 110 CO 0.02 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 1a5a n GLY 111 N -0.07 0.04 0.00 3.99 0.00 -1.26 -4.18 105.19 103.72 1a5a n GLY 111 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1a5a n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5a n ALA 112 N -1.45 1.76 0.00 4.61 0.00 -1.26 -4.82 120.51 119.34 1a5a n ALA 112 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1a5a n ALA 112 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1a5a n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5a n GLY 113 N 0.13 3.13 0.33 0.00 0.00 -1.26 -4.93 105.19 102.59 1a5a n GLY 113 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1a5a n GLY 113 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1a5a h GLN 114 N 1.37 0.91 -0.13 1.61 5.75 -1.97 -1.18 115.11 121.48 1a5a h GLN 114 Ca 0.00 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.32 1a5a h GLN 114 Cb 0.00 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.33 1a5a h GLN 114 CO 0.00 0.60 -0.48 1.25 -2.65 0.00 0.00 178.83 177.56 1a5a h HIS 115 N 0.94 0.39 -0.44 3.99 2.76 -1.91 -1.83 115.15 119.05 1a5a h HIS 115 Ca 0.40 -0.12 -0.03 0.00 -2.20 0.00 0.00 60.37 58.42 1a5a h HIS 115 Cb 0.26 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 1a5a h HIS 115 CO -0.03 0.74 0.15 0.78 -1.30 0.00 0.00 177.93 178.27 1a5a h GLY 116 N 1.25 0.72 0.97 5.26 0.00 -1.59 0.98 103.07 110.65 1a5a h GLY 116 Ca 0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1a5a h GLY 116 CO 0.08 0.39 0.23 -2.08 0.00 0.00 0.00 176.54 175.15 1a5a h VAL 117 N 0.56 1.16 -0.65 4.60 2.07 -1.12 0.91 116.25 123.79 1a5a h VAL 117 Ca 0.14 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1a5a h VAL 117 Cb 0.24 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1a5a h VAL 117 CO -0.01 0.18 0.18 0.00 0.02 0.00 0.00 177.57 177.93 1a5a h ALA 118 N 1.08 0.86 -0.33 1.67 0.00 -1.09 0.22 119.26 121.66 1a5a h ALA 118 Ca 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1a5a h ALA 118 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1a5a h ALA 118 CO -0.02 0.56 0.13 0.77 0.00 0.00 0.00 179.25 180.68 1a5a h SER 119 N 0.96 0.45 -0.56 0.00 0.02 -0.49 -1.98 113.55 111.95 1a5a h SER 119 Ca 0.21 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1a5a h SER 119 Cb 0.34 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1a5a h SER 119 CO -0.00 0.50 0.17 0.00 -1.14 0.00 0.00 176.83 176.36 1a5a h ALA 120 N 0.97 0.73 -0.59 3.77 0.00 -0.66 -1.36 119.26 122.12 1a5a h ALA 120 Ca 0.11 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1a5a h ALA 120 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1a5a h ALA 120 CO -0.01 0.40 0.02 1.37 0.00 0.00 0.00 179.25 181.03 1a5a h LEU 121 N 0.78 0.98 -0.17 0.00 8.10 -0.85 -0.33 115.31 123.82 1a5a h LEU 121 Ca 0.18 -0.26 -0.05 0.00 0.11 0.00 0.00 57.88 57.86 1a5a h LEU 121 Cb 0.29 -0.26 -0.00 0.00 -0.44 0.00 0.00 40.66 40.25 1a5a h LEU 121 CO -0.00 1.02 -0.08 0.00 -4.11 0.00 0.00 178.44 175.26 1a5a h ALA 122 N 1.08 0.24 -0.59 0.17 0.00 -1.23 -1.55 119.26 117.38 1a5a h ALA 122 Ca 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1a5a h ALA 122 Cb 0.51 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1a5a h ALA 122 CO 0.02 0.05 0.30 0.77 0.00 0.00 0.00 179.25 180.39 1a5a h SER 123 N 0.03 0.75 -0.37 0.00 0.02 -1.18 -0.47 113.55 112.34 1a5a h SER 123 Ca 0.04 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 1a5a h SER 123 Cb 0.56 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1a5a h SER 123 CO 0.02 0.65 -0.04 0.00 -1.14 0.00 0.00 176.83 176.33 1a5a h ALA 124 N 1.13 1.08 -0.43 3.77 0.00 -1.04 0.28 119.26 124.05 1a5a h ALA 124 Ca 0.20 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1a5a h ALA 124 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1a5a h ALA 124 CO -0.03 0.57 -0.26 1.25 0.00 0.00 0.00 179.25 180.78 1a5a h LEU 125 N 0.71 0.96 -3.56 0.00 5.85 -0.83 -3.22 115.31 115.22 1a5a h LEU 125 Ca 0.13 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1a5a h LEU 125 Cb 0.49 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1a5a h LEU 125 CO 0.03 1.16 0.04 0.18 -0.34 0.00 0.00 178.44 179.51 1a5a n LEU 126 N -4.09 5.57 -3.24 2.25 4.77 -0.22 -4.97 117.00 117.07 1a5a n LEU 126 Ca -0.00 -3.01 -0.21 0.00 -0.03 0.00 0.00 56.01 52.76 1a5a n LEU 126 Cb 0.48 -0.68 0.07 0.00 -2.33 0.00 0.00 43.42 40.96 1a5a n LEU 126 CO 0.47 0.67 0.21 0.61 -1.33 0.00 0.00 177.39 178.02 1a5a n GLY 127 N 0.33 -0.39 3.63 -0.72 0.00 -0.56 -5.01 105.19 102.47 1a5a n GLY 127 Ca 0.29 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 46.13 1a5a n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5a s LEU 128 N -6.62 3.35 -0.17 0.99 1.43 0.90 -4.97 118.68 113.60 1a5a s LEU 128 Ca 0.51 0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 53.38 1a5a s LEU 128 Cb -0.23 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1a5a s LEU 128 CO 0.63 0.36 0.88 -0.54 0.23 0.00 0.00 176.35 177.91 1a5a s LYS 129 N -0.94 4.31 -0.14 1.70 1.02 0.49 -4.29 119.74 121.90 1a5a s LYS 129 Ca 0.14 1.12 0.02 0.00 0.02 0.00 0.00 55.97 57.26 1a5a s LYS 129 Cb -0.11 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 1a5a s LYS 129 CO 0.03 -0.36 -0.20 0.00 -0.92 0.00 0.00 175.35 173.90 1a5a s ARG 131 N 0.73 2.79 -0.09 0.00 1.70 -0.12 -0.50 118.95 123.46 1a5a s ARG 131 Ca -0.08 -0.76 0.02 0.00 -0.47 0.00 0.00 55.73 54.44 1a5a s ARG 131 Cb -0.16 -2.39 0.01 0.00 -0.57 0.00 0.00 34.95 31.85 1a5a s ARG 131 CO 0.00 0.42 -0.17 0.42 -1.08 0.00 0.00 175.30 174.90 1a5a s ILE 132 N -0.22 1.55 -0.16 4.99 1.01 0.13 -2.02 121.20 126.49 1a5a s ILE 132 Ca -0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.81 1a5a s ILE 132 Cb -0.13 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 1a5a s ILE 132 CO 0.03 0.45 0.30 -0.31 0.00 0.00 0.00 174.94 175.41 1a5a s TYR 133 N 0.72 3.45 -0.01 3.97 2.02 0.39 0.42 117.35 128.31 1a5a s TYR 133 Ca -0.12 0.59 -0.01 0.00 -0.37 0.00 0.00 57.07 57.16 1a5a s TYR 133 Cb -0.16 -2.35 0.01 0.00 -0.40 0.00 0.00 41.96 39.06 1a5a s TYR 133 CO 0.03 0.22 0.03 1.41 -1.57 0.00 0.00 175.55 175.66 1a5a s MET 134 N 0.53 0.01 0.23 -0.62 1.75 -0.64 -1.15 119.30 119.41 1a5a s MET 134 Ca 0.16 0.08 -0.30 0.00 -1.25 0.00 0.00 55.69 54.39 1a5a s MET 134 Cb -0.13 -0.06 -0.09 0.00 2.84 0.00 0.00 34.83 37.39 1a5a s MET 134 CO 0.04 -0.05 1.27 0.20 -0.65 0.00 0.00 175.02 175.83 1a5a s GLY 135 N 0.32 2.64 0.27 2.11 0.00 -1.26 0.09 107.32 111.49 1a5a s GLY 135 Ca -0.03 1.09 -0.05 0.00 0.00 0.00 0.00 44.72 45.73 1a5a s GLY 135 CO -0.01 1.96 1.60 0.00 0.00 0.00 0.00 173.10 176.64 1a5a h ALA 136 N 4.87 0.85 -0.85 3.20 0.00 -1.06 0.73 119.26 127.00 1a5a h ALA 136 Ca -0.46 0.31 0.13 0.00 0.00 0.00 0.00 54.91 54.89 1a5a h ALA 136 Cb 1.22 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 1a5a h ALA 136 CO 0.74 -0.46 0.55 0.87 0.00 0.00 0.00 179.25 180.95 1a5a h LYS 137 N 0.04 0.66 0.06 0.00 6.56 -1.82 0.98 116.57 123.05 1a5a h LYS 137 Ca 0.48 -0.04 -0.24 0.00 -1.06 0.00 0.00 60.65 59.79 1a5a h LYS 137 Cb 0.87 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.37 1a5a h LYS 137 CO -0.84 0.44 -1.12 -0.44 -2.06 0.00 0.00 179.45 175.43 1a5a h ASP 138 N 0.68 0.20 0.22 0.86 3.32 0.13 -3.19 116.42 118.64 1a5a h ASP 138 Ca 0.41 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1a5a h ASP 138 Cb 0.64 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1a5a h ASP 138 CO -0.18 1.17 -0.13 0.58 -1.72 0.00 0.00 179.24 178.97 1a5a h VAL 139 N 0.04 0.00 0.00 -1.35 2.07 0.17 0.11 116.25 117.29 1a5a h VAL 139 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1a5a h VAL 139 Cb 1.87 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1a5a h VAL 139 CO 0.16 0.00 0.00 -1.84 0.02 0.00 0.00 177.57 175.91 1a5a n GLU 140 N -2.98 0.12 -0.07 1.57 -0.00 -0.53 -1.49 120.64 117.25 1a5a n GLU 140 Ca -0.04 0.62 -0.10 0.00 -0.00 0.00 0.00 57.16 57.64 1a5a n GLU 140 Cb 0.13 -1.91 -0.15 0.00 -0.00 0.00 0.00 31.44 29.51 1a5a n GLU 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1a5a n ARG 141 N -2.17 0.67 -1.71 3.44 1.74 -1.10 -4.43 116.66 113.11 1a5a n ARG 141 Ca -0.01 0.11 -0.31 0.00 -0.77 0.00 0.00 57.85 56.87 1a5a n ARG 141 Cb 0.03 -1.62 0.05 0.00 -1.02 0.00 0.00 32.46 29.90 1a5a n ARG 141 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1a5a n GLN 142 N -2.89 3.07 -0.34 5.56 1.13 0.37 -4.83 117.38 119.45 1a5a n GLN 142 Ca -0.28 -3.70 0.23 0.00 -1.94 0.00 0.00 57.00 51.31 1a5a n GLN 142 Cb 1.11 -2.28 0.46 0.00 0.11 0.00 0.00 30.24 29.64 1a5a n GLN 142 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1a5a h SER 143 N 2.20 0.54 0.20 1.08 0.02 -1.73 -1.67 113.55 114.20 1a5a h SER 143 Ca 0.50 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.63 1a5a h SER 143 Cb 0.99 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1a5a h SER 143 CO 1.24 -0.09 -0.18 -0.65 -1.14 0.00 0.00 176.83 176.01 1a5a h PRO 144 N 0.37 -0.39 -0.03 3.45 0.11 -1.91 -1.37 132.00 132.23 1a5a h PRO 144 Ca 0.72 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.82 1a5a h PRO 144 Cb 1.59 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.78 1a5a h PRO 144 CO -0.58 -0.26 -0.13 -0.91 -0.21 0.00 0.00 178.00 175.91 1a5a h ASN 145 N -0.40 0.05 -0.25 -2.05 -0.26 -1.69 -0.25 115.58 110.73 1a5a h ASN 145 Ca -0.00 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.68 1a5a h ASN 145 Cb 0.37 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 1a5a h ASN 145 CO -0.03 0.18 -0.04 0.58 -1.06 0.00 0.00 177.43 177.06 1a5a h VAL 146 N 0.05 1.28 -0.61 2.81 2.07 -1.02 0.22 116.25 121.05 1a5a h VAL 146 Ca 0.01 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 1a5a h VAL 146 Cb 0.26 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1a5a h VAL 146 CO 0.02 0.32 0.20 0.15 0.02 0.00 0.00 177.57 178.27 1a5a h PHE 147 N 0.21 0.98 -0.20 1.57 3.57 -0.82 -2.03 116.94 120.22 1a5a h PHE 147 Ca 0.06 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.52 1a5a h PHE 147 Cb 0.49 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 1a5a h PHE 147 CO 0.05 0.80 -0.10 -0.09 -2.23 0.00 0.00 178.31 176.74 1a5a h ARG 148 N 0.87 -0.08 -0.01 1.11 9.65 -0.82 0.23 114.38 125.34 1a5a h ARG 148 Ca 0.20 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.09 1a5a h ARG 148 Cb 0.28 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 1a5a h ARG 148 CO -0.01 -0.05 -0.04 0.52 2.80 0.00 0.00 179.97 183.19 1a5a h MET 149 N -0.08 -0.07 -0.70 0.20 2.86 -0.66 -1.93 114.93 114.56 1a5a h MET 149 Ca 0.11 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1a5a h MET 149 Cb 0.24 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1a5a h MET 149 CO -0.25 -0.05 0.33 0.00 1.06 0.00 0.00 176.91 178.00 1a5a h ARG 150 N -0.07 0.99 -0.54 1.72 3.08 -1.08 -1.09 114.38 117.39 1a5a h ARG 150 Ca 0.02 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 59.97 1a5a h ARG 150 Cb 0.10 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 1a5a h ARG 150 CO -0.05 0.77 0.36 -0.07 -1.07 0.00 0.00 179.97 179.91 1a5a h LEU 151 N 0.99 0.54 -2.32 3.04 3.38 -0.19 -0.37 115.31 120.37 1a5a h LEU 151 Ca 0.24 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1a5a h LEU 151 Cb 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1a5a h LEU 151 CO -0.03 0.37 0.02 0.23 0.09 0.00 0.00 178.44 179.12 1a5a n MET 152 N -4.47 2.86 -0.54 1.13 2.81 -0.48 -4.90 117.12 113.54 1a5a n MET 152 Ca 0.06 -1.56 0.00 0.00 -1.81 0.00 0.00 57.70 54.39 1a5a n MET 152 Cb 0.14 -1.87 0.00 0.00 -0.71 0.00 0.00 33.22 30.78 1a5a n MET 152 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a5a n GLY 153 N 0.27 1.71 3.78 3.03 0.00 -0.15 -4.55 105.19 109.28 1a5a n GLY 153 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1a5a n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5a s ALA 154 N -3.36 2.59 -0.36 4.61 0.00 -0.83 -4.80 121.76 119.62 1a5a s ALA 154 Ca 0.00 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.49 1a5a s ALA 154 Cb 0.00 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1a5a s ALA 154 CO 0.00 -1.01 0.22 -2.00 0.00 0.00 0.00 175.76 172.97 1a5a s GLU 155 N -3.75 3.05 -0.29 0.00 2.12 0.35 -4.15 118.70 116.04 1a5a s GLU 155 Ca 0.69 -0.93 -0.18 0.00 0.36 0.00 0.00 54.97 54.91 1a5a s GLU 155 Cb -0.21 -3.75 -0.02 0.00 0.26 0.00 0.00 34.13 30.40 1a5a s GLU 155 CO 0.35 -0.61 0.50 0.08 -0.54 0.00 0.00 175.26 175.04 1a5a s VAL 156 N 1.61 5.06 -0.36 3.70 1.01 -1.26 0.22 120.40 130.38 1a5a s VAL 156 Ca 0.04 0.69 -0.07 0.00 0.00 0.00 0.00 61.98 62.63 1a5a s VAL 156 Cb -0.18 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.38 1a5a s VAL 156 CO 0.08 -0.01 0.15 -0.63 0.00 0.00 0.00 175.10 174.69 1a5a s ILE 157 N 2.33 3.96 -0.00 2.22 1.01 0.17 -4.94 121.20 125.93 1a5a s ILE 157 Ca 0.20 -1.17 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 1a5a s ILE 157 Cb -0.16 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 1a5a s ILE 157 CO 0.11 -0.26 1.38 -2.84 0.00 0.00 0.00 174.94 173.33 1a5a s PRO 158 N 1.42 4.29 0.02 2.79 0.02 -1.26 -1.61 135.00 140.67 1a5a s PRO 158 Ca 0.00 1.94 -0.07 0.00 0.02 0.00 0.00 61.00 62.90 1a5a s PRO 158 Cb -0.20 -3.57 -0.05 0.00 0.02 0.00 0.00 34.50 30.70 1a5a s PRO 158 CO 0.03 -0.56 0.28 0.54 -0.33 0.00 0.00 177.00 176.96 1a5a s VAL 159 N 2.37 5.28 -0.02 3.83 0.11 0.11 -4.84 120.40 127.25 1a5a s VAL 159 Ca 0.63 0.17 0.03 0.00 -2.93 0.00 0.00 61.98 59.88 1a5a s VAL 159 Cb -0.31 -3.58 0.04 0.00 -1.53 0.00 0.00 36.38 31.01 1a5a s VAL 159 CO 0.26 0.35 0.84 1.41 -3.33 0.00 0.00 175.10 174.62 1a5a n HIS 160 N 1.05 0.00 -1.77 1.54 8.25 -1.26 -1.01 115.22 122.02 1a5a n HIS 160 Ca -0.11 -0.29 -0.43 0.00 -0.26 0.00 0.00 57.72 56.64 1a5a n HIS 160 Cb 0.53 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 1a5a n HIS 160 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1a5a s SER 161 N -0.91 5.61 1.38 0.41 0.01 -1.26 -4.43 113.70 114.52 1a5a s SER 161 Ca 0.05 1.62 0.00 0.00 1.31 0.00 0.00 55.95 58.93 1a5a s SER 161 Cb 0.04 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1a5a s SER 161 CO 0.00 -1.88 0.00 0.61 0.41 0.00 0.00 173.24 172.38 1a5a n GLY 162 N 5.63 1.16 0.10 3.44 0.00 -1.26 -1.31 105.19 112.96 1a5a n GLY 162 Ca 0.27 0.51 0.11 0.00 0.00 0.00 0.00 46.02 46.91 1a5a n GLY 162 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a5a n SER 163 N 9.46 0.52 -3.68 1.61 7.64 -1.26 -4.92 113.62 122.99 1a5a n SER 163 Ca 0.00 0.63 -0.27 0.00 1.01 0.00 0.00 58.87 60.24 1a5a n SER 163 Cb 0.00 -0.74 0.02 0.00 -1.01 0.00 0.00 64.21 62.48 1a5a n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a5a n ALA 164 N -1.71 -2.64 -3.49 -0.43 0.00 -0.42 -4.76 120.51 107.05 1a5a n ALA 164 Ca 0.02 -0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.14 1a5a n ALA 164 Cb 0.22 -2.38 -0.01 0.00 0.00 0.00 0.00 19.45 17.27 1a5a n ALA 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1a5a n THR 165 N -3.43 0.00 -0.18 0.00 -1.04 -1.26 -2.93 114.28 105.43 1a5a n THR 165 Ca -0.15 -0.83 -0.05 0.00 -2.04 0.00 0.00 64.05 60.98 1a5a n THR 165 Cb 0.60 0.52 -0.04 0.00 -1.82 0.00 0.00 70.33 69.60 1a5a n THR 165 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1a5a n LEU 166 N 0.00 -0.46 -0.01 -4.42 7.94 -1.26 -0.51 117.00 118.28 1a5a n LEU 166 Ca -0.00 1.19 0.18 0.00 -1.11 0.00 0.00 56.01 56.27 1a5a n LEU 166 Cb 0.28 -0.31 0.64 0.00 0.53 0.00 0.00 43.42 44.57 1a5a n LEU 166 CO 0.14 -0.84 1.18 0.07 -1.11 0.00 0.00 177.39 176.83 1a5a h LYS 167 N 0.00 0.09 0.00 1.96 2.10 -1.98 0.38 116.57 119.12 1a5a h LYS 167 Ca 0.07 -0.01 -0.11 0.00 -2.00 0.00 0.00 60.65 58.60 1a5a h LYS 167 Cb 0.18 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.47 1a5a h LYS 167 CO -0.41 0.06 -0.55 -0.44 -2.00 0.00 0.00 179.45 176.11 1a5a h ASP 168 N 0.09 0.00 0.18 7.07 3.32 -1.11 -2.90 116.42 123.07 1a5a h ASP 168 Ca 0.25 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.05 1a5a h ASP 168 Cb 0.87 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.45 1a5a h ASP 168 CO -0.02 0.55 -1.11 0.00 -1.72 0.00 0.00 179.24 176.93 1a5a h ALA 169 N 1.45 -0.10 -1.00 3.45 0.00 0.16 -3.07 119.26 120.16 1a5a h ALA 169 Ca -0.01 -0.79 0.14 0.00 0.00 0.00 0.00 54.91 54.25 1a5a h ALA 169 Cb 1.38 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.24 1a5a h ALA 169 CO 0.07 0.53 0.63 0.00 0.00 0.00 0.00 179.25 180.48 1a5a h ASN 171 N 0.93 -0.01 -0.67 0.00 -0.26 -1.55 -0.59 115.58 113.44 1a5a h ASN 171 Ca 0.51 -0.10 -0.04 0.00 -0.56 0.00 0.00 56.30 56.12 1a5a h ASN 171 Cb 0.59 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.82 1a5a h ASN 171 CO -0.28 0.09 0.28 -0.33 -1.06 0.00 0.00 177.43 176.13 1a5a h GLU 172 N -0.10 1.02 -0.69 0.81 4.39 -1.12 -0.09 114.58 118.79 1a5a h GLU 172 Ca -0.00 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 1a5a h GLU 172 Cb 0.10 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1a5a h GLU 172 CO 0.00 0.83 0.23 0.00 -1.16 0.00 0.00 179.01 178.91 1a5a h ALA 173 N 1.30 1.10 -0.17 3.43 0.00 -0.64 -1.23 119.26 123.06 1a5a h ALA 173 Ca 0.23 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1a5a h ALA 173 Cb 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1a5a h ALA 173 CO -0.02 0.62 -0.46 -0.07 0.00 0.00 0.00 179.25 179.32 1a5a h LEU 174 N 1.02 0.71 -0.64 0.00 3.38 -0.54 -0.96 115.31 118.28 1a5a h LEU 174 Ca 0.23 -0.58 0.05 0.00 0.09 0.00 0.00 57.88 57.67 1a5a h LEU 174 Cb 0.26 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1a5a h LEU 174 CO -0.01 1.16 0.36 0.03 0.09 0.00 0.00 178.44 180.07 1a5a h ARG 175 N 0.29 0.66 0.11 1.13 3.08 -0.86 -0.23 114.38 118.57 1a5a h ARG 175 Ca -0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1a5a h ARG 175 Cb 1.08 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1a5a h ARG 175 CO 0.10 0.44 -0.05 0.22 -1.07 0.00 0.00 179.97 179.61 1a5a h ASP 176 N 0.68 -0.13 -0.73 7.04 1.82 -1.20 -3.07 116.42 120.84 1a5a h ASP 176 Ca 0.28 -0.09 0.08 0.00 -0.39 0.00 0.00 57.03 56.90 1a5a h ASP 176 Cb 0.14 0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.14 1a5a h ASP 176 CO -0.16 0.01 0.48 -0.25 -1.61 0.00 0.00 179.24 177.71 1a5a h TRP 177 N -0.26 0.73 -0.28 0.28 7.01 -0.58 -1.29 115.95 121.56 1a5a h TRP 177 Ca -0.02 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1a5a h TRP 177 Cb 0.21 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 1a5a h TRP 177 CO -0.04 0.37 0.09 0.66 -2.79 0.00 0.00 178.44 176.74 1a5a h SER 178 N 0.71 0.35 0.70 2.65 4.64 -0.96 0.74 113.55 122.37 1a5a h SER 178 Ca 0.32 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.49 1a5a h SER 178 Cb 0.34 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1a5a h SER 178 CO -0.11 0.34 -1.39 0.61 -0.87 0.00 0.00 176.83 175.41 1a5a n GLY 179 N -1.25 -1.25 0.13 -0.77 0.00 -0.70 -4.51 105.19 96.85 1a5a n GLY 179 Ca 0.01 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.86 1a5a n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a5a n SER 180 N -2.78 1.88 0.27 1.61 3.41 -0.57 -4.74 113.62 112.70 1a5a n SER 180 Ca -0.08 -1.70 0.10 0.00 -0.26 0.00 0.00 58.87 56.93 1a5a n SER 180 Cb 0.76 -0.04 0.54 0.00 -0.26 0.00 0.00 64.21 65.22 1a5a n SER 180 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1a5a h TYR 181 N 0.49 0.00 -0.34 7.33 -0.00 -1.01 0.14 116.97 123.58 1a5a h TYR 181 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.66 1a5a h TYR 181 Cb 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.12 1a5a h TYR 181 CO 0.04 0.00 -0.10 0.93 -0.00 0.00 0.00 178.16 179.03 1a5a h GLU 182 N 0.00 0.58 0.00 0.10 3.07 -1.86 -3.31 114.58 113.16 1a5a h GLU 182 Ca 0.00 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1a5a h GLU 182 Cb 0.79 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1a5a h GLU 182 CO 0.00 0.67 -0.69 0.25 -1.40 0.00 0.00 179.01 177.84 1a5a n THR 183 N -4.20 0.00 -4.78 1.13 -2.24 -0.02 -4.81 114.28 99.36 1a5a n THR 183 Ca 0.01 -0.18 -0.32 0.00 -2.27 0.00 0.00 64.05 61.29 1a5a n THR 183 Cb 0.32 0.66 -0.13 0.00 -2.10 0.00 0.00 70.33 69.08 1a5a n THR 183 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5a s ALA 184 N -1.72 2.65 -0.13 6.98 0.00 0.30 -1.98 121.76 127.86 1a5a s ALA 184 Ca -0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 1a5a s ALA 184 Cb 0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1a5a s ALA 184 CO 0.04 0.57 -0.06 -1.58 0.00 0.00 0.00 175.76 174.73 1a5a s HIS 185 N -0.83 2.98 -0.44 0.00 2.46 -0.39 -4.11 115.29 114.96 1a5a s HIS 185 Ca 0.13 -0.26 -0.25 0.00 0.47 0.00 0.00 55.06 55.15 1a5a s HIS 185 Cb -0.11 -1.88 0.02 0.00 -0.13 0.00 0.00 32.58 30.49 1a5a s HIS 185 CO 0.03 0.04 0.91 -0.47 -2.47 0.00 0.00 174.74 172.78 1a5a s TYR 186 N 0.05 2.96 -0.81 3.88 5.04 -1.26 -0.73 117.35 126.49 1a5a s TYR 186 Ca -0.01 0.44 -0.19 0.00 -2.44 0.00 0.00 57.07 54.87 1a5a s TYR 186 Cb -0.14 -3.87 0.12 0.00 0.35 0.00 0.00 41.96 38.43 1a5a s TYR 186 CO 0.03 -1.03 0.99 1.41 -1.34 0.00 0.00 175.55 175.61 1a5a s MET 187 N 3.64 3.40 0.30 4.97 -2.45 0.10 -4.94 119.30 124.32 1a5a s MET 187 Ca 0.36 -1.54 -0.29 0.00 -1.25 0.00 0.00 55.69 52.97 1a5a s MET 187 Cb -0.11 -4.62 -0.10 0.00 1.25 0.00 0.00 34.83 31.26 1a5a s MET 187 CO 0.24 -1.71 1.21 -1.17 1.05 0.00 0.00 175.02 174.65 1a5a s LEU 188 N 2.79 4.48 0.04 4.11 0.20 -1.26 -4.63 118.68 124.41 1a5a s LEU 188 Ca 0.26 2.48 0.28 0.00 0.69 0.00 0.00 54.13 57.83 1a5a s LEU 188 Cb -0.11 -3.64 0.99 0.00 -0.43 0.00 0.00 46.19 43.00 1a5a s LEU 188 CO -0.02 -0.36 1.78 0.61 -0.29 0.00 0.00 176.35 178.07 1a5a n GLY 189 N 1.10 -1.49 3.54 7.98 0.00 -1.26 -4.96 105.19 110.10 1a5a n GLY 189 Ca -0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1a5a n GLY 189 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1a5a s THR 190 N -3.03 0.00 -0.71 2.61 -1.32 -1.26 -4.94 115.64 106.99 1a5a s THR 190 Ca 0.12 -1.50 -0.06 0.00 -1.21 0.00 0.00 61.69 59.04 1a5a s THR 190 Cb 0.17 -2.71 -0.09 0.00 -1.51 0.00 0.00 72.50 68.37 1a5a s THR 190 CO 0.58 0.00 3.07 0.00 -2.21 0.00 0.00 174.62 176.06 1a5a n ALA 191 N -0.58 6.76 -3.00 11.08 0.00 -1.26 -4.72 120.51 128.79 1a5a n ALA 191 Ca -0.00 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.55 1a5a n ALA 191 Cb 0.61 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1a5a n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5a n ALA 192 N 2.25 0.00 0.00 0.00 0.00 -1.26 -4.13 120.51 117.37 1a5a n ALA 192 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1a5a n ALA 192 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1a5a n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5a n GLY 193 N 0.00 -1.90 3.79 0.00 0.00 -1.26 -3.85 105.19 101.98 1a5a n GLY 193 Ca 0.00 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 1a5a n GLY 193 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5a s PRO 194 N 0.00 3.73 0.58 1.61 0.04 -1.24 -4.53 135.00 135.19 1a5a s PRO 194 Ca 0.00 1.42 -0.20 0.00 0.04 0.00 0.00 61.00 62.26 1a5a s PRO 194 Cb 0.00 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1a5a s PRO 194 CO 0.00 -0.50 1.29 -1.58 0.04 0.00 0.00 177.00 176.25 1a5a s HIS 195 N -1.93 2.29 -1.55 0.56 5.65 -0.73 -0.93 115.29 118.65 1a5a s HIS 195 Ca 0.68 1.45 0.06 0.00 0.25 0.00 0.00 55.06 57.49 1a5a s HIS 195 Cb -0.18 -3.67 0.20 0.00 -1.18 0.00 0.00 32.58 27.75 1a5a s HIS 195 CO 0.21 -2.67 1.05 -0.35 -0.65 0.00 0.00 174.74 172.33 1a5a n PRO 196 N -1.37 1.72 -0.02 2.88 -0.04 -1.26 -4.88 135.00 132.04 1a5a n PRO 196 Ca 0.12 -0.81 -0.09 0.00 -0.04 0.00 0.00 63.50 62.68 1a5a n PRO 196 Cb 0.47 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 1a5a n PRO 196 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1a5a h TYR 197 N 1.20 -0.37 -0.92 0.54 0.05 -1.32 0.20 116.97 116.35 1a5a h TYR 197 Ca 0.00 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.85 1a5a h TYR 197 Cb 0.52 0.19 -0.06 0.00 1.01 0.00 0.00 36.73 38.39 1a5a h TYR 197 CO 0.21 -0.22 0.60 -1.35 -1.05 0.00 0.00 178.16 176.35 1a5a h PRO 198 N -0.17 1.08 -0.24 4.88 0.11 -1.74 -0.67 132.00 135.25 1a5a h PRO 198 Ca 0.10 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 1a5a h PRO 198 Cb 0.32 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1a5a h PRO 198 CO -0.26 0.71 -0.12 1.15 -0.21 0.00 0.00 178.00 179.27 1a5a h THR 199 N 1.11 1.30 -0.19 -1.15 2.02 -1.75 -2.76 112.91 111.49 1a5a h THR 199 Ca 0.38 -1.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 1a5a h THR 199 Cb 0.10 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1a5a h THR 199 CO -0.13 0.37 0.02 0.40 0.37 0.00 0.00 175.52 176.55 1a5a h ILE 200 N 0.23 1.23 -0.47 3.11 2.04 -0.16 -2.01 117.51 121.49 1a5a h ILE 200 Ca 0.05 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 1a5a h ILE 200 Cb 0.62 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1a5a h ILE 200 CO 0.04 0.24 0.15 0.58 0.00 0.00 0.00 178.15 179.15 1a5a h VAL 201 N 0.11 1.19 0.09 1.67 2.07 -1.22 -0.92 116.25 119.24 1a5a h VAL 201 Ca 0.06 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1a5a h VAL 201 Cb 0.33 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1a5a h VAL 201 CO 0.01 0.24 -0.04 -0.09 0.02 0.00 0.00 177.57 177.70 1a5a h ARG 202 N 0.67 -0.12 -0.20 1.57 2.43 -1.39 -2.48 114.38 114.86 1a5a h ARG 202 Ca 0.16 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1a5a h ARG 202 Cb 0.20 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1a5a h ARG 202 CO -0.01 0.17 0.09 0.93 -1.51 0.00 0.00 179.97 179.64 1a5a h GLU 203 N -0.41 0.28 -0.18 0.20 4.39 -1.02 0.16 114.58 117.99 1a5a h GLU 203 Ca -0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1a5a h GLU 203 Cb 0.34 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1a5a h GLU 203 CO 0.02 0.23 0.00 1.19 -1.16 0.00 0.00 179.01 179.29 1a5a n PHE 204 N -4.46 0.24 0.00 4.33 3.72 -0.38 -3.51 117.46 117.40 1a5a n PHE 204 Ca 0.00 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1a5a n PHE 204 Cb 0.11 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1a5a n PHE 204 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1a5a n GLN 205 N 0.22 4.44 0.11 -1.08 1.13 -0.62 -2.99 117.38 118.58 1a5a n GLN 205 Ca 0.14 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.27 1a5a n GLN 205 Cb 0.28 -0.53 0.37 0.00 0.11 0.00 0.00 30.24 30.47 1a5a n GLN 205 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1a5a n ARG 206 N -0.91 0.09 0.27 -1.09 1.85 0.46 -1.62 116.66 115.71 1a5a n ARG 206 Ca 0.00 0.58 0.15 0.00 -1.00 0.00 0.00 57.85 57.58 1a5a n ARG 206 Cb 0.00 -1.82 0.73 0.00 -1.05 0.00 0.00 32.46 30.32 1a5a n ARG 206 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1a5a h MET 207 N 0.00 0.00 0.35 2.89 -0.00 -1.82 -1.88 114.93 114.46 1a5a h MET 207 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1a5a h MET 207 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.66 1a5a h MET 207 CO 0.00 0.08 -0.17 0.82 -0.00 0.00 0.00 176.91 177.65 1a5a h ILE 208 N 0.00 0.67 -0.51 -0.10 2.04 -1.47 0.68 117.51 118.82 1a5a h ILE 208 Ca -0.00 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 1a5a h ILE 208 Cb 0.43 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1a5a h ILE 208 CO 0.01 0.02 0.14 1.23 0.00 0.00 0.00 178.15 179.55 1a5a h GLY 209 N -0.52 0.87 1.01 5.37 0.00 -0.93 -1.43 103.07 107.44 1a5a h GLY 209 Ca -0.05 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.75 1a5a h GLY 209 CO 0.08 0.50 0.38 0.83 0.00 0.00 0.00 176.54 178.32 1a5a h GLU 210 N 0.71 0.75 0.05 4.80 5.08 -1.21 -0.87 114.58 123.89 1a5a h GLU 210 Ca 0.16 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1a5a h GLU 210 Cb 0.31 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1a5a h GLU 210 CO -0.00 0.50 -0.03 0.93 -1.00 0.00 0.00 179.01 179.41 1a5a h GLU 211 N 0.77 -0.07 -0.89 2.33 5.08 -0.75 -2.68 114.58 118.37 1a5a h GLU 211 Ca 0.21 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.76 1a5a h GLU 211 Cb -0.09 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.07 1a5a h GLU 211 CO -0.04 0.29 0.44 1.15 -1.00 0.00 0.00 179.01 179.85 1a5a h THR 212 N -0.44 0.60 -0.43 1.13 2.02 -1.11 0.22 112.91 114.90 1a5a h THR 212 Ca -0.01 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1a5a h THR 212 Cb 0.39 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1a5a h THR 212 CO 0.01 0.10 0.17 0.50 0.37 0.00 0.00 175.52 176.67 1a5a h LYS 213 N 0.53 0.64 -0.41 6.66 3.64 -1.06 0.16 116.57 126.73 1a5a h LYS 213 Ca 0.53 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.66 1a5a h LYS 213 Cb 0.90 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1a5a h LYS 213 CO -0.45 0.59 -0.27 0.00 -2.27 0.00 0.00 179.45 177.05 1a5a h ALA 214 N 1.02 0.73 -0.08 5.00 0.00 -0.94 -2.27 119.26 122.72 1a5a h ALA 214 Ca 0.14 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1a5a h ALA 214 Cb 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1a5a h ALA 214 CO -0.01 0.66 -0.02 1.96 0.00 0.00 0.00 179.25 181.84 1a5a h GLN 215 N 0.75 0.15 -0.39 0.00 4.20 -0.25 -1.12 115.11 118.46 1a5a h GLN 215 Ca 0.09 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 1a5a h GLN 215 Cb 0.83 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1a5a h GLN 215 CO 0.07 0.48 -0.10 0.97 -0.67 0.00 0.00 178.83 179.57 1a5a h ILE 216 N -0.18 1.25 -0.08 2.54 6.09 -0.75 0.10 117.51 126.48 1a5a h ILE 216 Ca 0.02 -1.11 -0.06 0.00 -1.37 0.00 0.00 64.86 62.35 1a5a h ILE 216 Cb 0.42 1.06 -0.01 0.00 0.47 0.00 0.00 36.82 38.76 1a5a h ILE 216 CO 0.01 0.37 -0.22 0.25 -3.07 0.00 0.00 178.15 175.50 1a5a h LEU 217 N 0.62 0.13 0.00 2.19 5.85 -1.35 0.41 115.31 123.16 1a5a h LEU 217 Ca 0.11 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1a5a h LEU 217 Cb 0.54 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1a5a h LEU 217 CO 0.03 0.36 -0.14 -0.78 -0.34 0.00 0.00 178.44 177.57 1a5a h ASP 218 N 0.13 0.12 -0.04 1.25 3.58 -0.08 -1.28 116.42 120.10 1a5a h ASP 218 Ca 0.02 -0.79 -0.20 0.00 0.42 0.00 0.00 57.03 56.48 1a5a h ASP 218 Cb 0.46 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 41.49 1a5a h ASP 218 CO 0.03 0.90 -0.74 0.11 -2.88 0.00 0.00 179.24 176.66 1a5a h LYS 219 N -0.64 0.57 0.00 0.28 1.79 -0.63 -3.39 116.57 114.56 1a5a h LYS 219 Ca -0.02 -0.56 0.00 0.00 -2.18 0.00 0.00 60.65 57.89 1a5a h LYS 219 Cb 0.92 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1a5a h LYS 219 CO 0.03 1.18 -1.23 0.39 -1.08 0.00 0.00 179.45 178.74 1a5a n GLU 220 N -4.07 1.23 -1.18 3.15 -0.58 0.14 -5.01 120.64 114.32 1a5a n GLU 220 Ca -0.10 -0.07 -0.06 0.00 -0.42 0.00 0.00 57.16 56.51 1a5a n GLU 220 Cb 0.73 -1.20 -0.03 0.00 -0.57 0.00 0.00 31.44 30.37 1a5a n GLU 220 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a5a n GLY 221 N 1.66 0.86 3.47 0.62 0.00 -0.48 -4.98 105.19 106.35 1a5a n GLY 221 Ca -0.01 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 1a5a n GLY 221 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a5a s ARG 222 N -2.37 1.34 0.57 1.61 1.70 -1.26 -4.99 118.95 115.55 1a5a s ARG 222 Ca 0.00 -0.56 -0.14 0.00 -0.47 0.00 0.00 55.73 54.56 1a5a s ARG 222 Cb 0.00 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 34.91 1a5a s ARG 222 CO 0.00 -0.59 1.01 -0.51 -1.08 0.00 0.00 175.30 174.14 1a5a s LEU 223 N -2.78 3.43 0.97 -1.89 1.02 -1.26 -4.02 118.68 114.16 1a5a s LEU 223 Ca 0.03 1.54 -0.12 0.00 0.02 0.00 0.00 54.13 55.59 1a5a s LEU 223 Cb -0.01 -4.50 0.17 0.00 0.02 0.00 0.00 46.19 41.87 1a5a s LEU 223 CO -0.10 -0.80 1.09 -2.16 0.02 0.00 0.00 176.35 174.40 1a5a s PRO 224 N -4.55 0.66 0.20 1.29 0.04 -1.26 -4.93 135.00 126.45 1a5a s PRO 224 Ca 0.58 0.63 0.16 0.00 0.04 0.00 0.00 61.00 62.40 1a5a s PRO 224 Cb -0.11 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1a5a s PRO 224 CO 0.42 -2.60 1.23 -0.44 0.04 0.00 0.00 177.00 175.64 1a5a h ASP 225 N -1.80 0.00 -4.34 6.66 3.32 -0.61 -3.42 116.42 116.23 1a5a h ASP 225 Ca -0.53 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.50 1a5a h ASP 225 Cb 1.31 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.65 1a5a h ASP 225 CO 0.56 0.52 0.27 0.00 -1.72 0.00 0.00 179.24 178.87 1a5a s ALA 226 N -2.96 -1.83 -0.09 3.45 0.00 -1.22 -1.28 121.76 117.84 1a5a s ALA 226 Ca 0.02 1.64 0.04 0.00 0.00 0.00 0.00 51.96 53.65 1a5a s ALA 226 Cb 0.08 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1a5a s ALA 226 CO 0.77 -0.33 -0.22 0.14 0.00 0.00 0.00 175.76 176.12 1a5a s VAL 227 N -0.55 2.29 -0.05 0.00 -7.23 0.34 -1.74 120.40 113.47 1a5a s VAL 227 Ca -0.05 -0.95 0.07 0.00 -1.81 0.00 0.00 61.98 59.24 1a5a s VAL 227 Cb -0.02 -1.89 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 1a5a s VAL 227 CO 0.04 0.56 -0.25 -0.63 -0.31 0.00 0.00 175.10 174.51 1a5a s ILE 228 N 0.18 2.02 -0.03 -0.62 1.01 0.14 -1.32 121.20 122.59 1a5a s ILE 228 Ca -0.13 -1.06 -0.16 0.00 0.00 0.00 0.00 60.65 59.30 1a5a s ILE 228 Cb -0.16 -1.70 0.03 0.00 0.01 0.00 0.00 42.46 40.64 1a5a s ILE 228 CO 0.07 0.56 0.35 0.00 0.00 0.00 0.00 174.94 175.92 1a5a s ALA 229 N -0.28 -0.90 0.60 9.38 0.00 -0.53 -0.92 121.76 129.12 1a5a s ALA 229 Ca 0.00 0.51 -0.15 0.00 0.00 0.00 0.00 51.96 52.32 1a5a s ALA 229 Cb -0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1a5a s ALA 229 CO 0.02 -0.26 1.04 0.00 0.00 0.00 0.00 175.76 176.56 1a5a s VAL 231 N -2.66 1.34 0.00 0.00 1.01 0.95 -4.11 120.40 116.93 1a5a s VAL 231 Ca 0.61 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1a5a s VAL 231 Cb -0.14 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1a5a s VAL 231 CO 0.41 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.42 1a5a n GLY 232 N 4.44 0.10 0.01 4.51 0.00 -1.26 -4.55 105.19 108.43 1a5a n GLY 232 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1a5a n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5a n GLY 233 N 2.15 -0.60 0.00 -0.02 0.00 -1.26 -4.51 105.19 100.94 1a5a n GLY 233 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1a5a n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5a n GLY 234 N 1.65 0.83 0.13 -0.02 0.00 -1.26 -1.14 105.19 105.38 1a5a n GLY 234 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1a5a n GLY 234 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a5a h SER 235 N 0.00 0.37 -0.21 1.61 4.64 -1.91 -0.99 113.55 117.06 1a5a h SER 235 Ca 0.00 -0.49 -0.12 0.00 -0.47 0.00 0.00 61.79 60.71 1a5a h SER 235 Cb 0.00 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1a5a h SER 235 CO 0.00 0.78 -0.28 -0.55 -0.87 0.00 0.00 176.83 175.91 1a5a h ASN 236 N -0.04 0.72 0.17 4.97 7.08 -1.97 -0.44 115.58 126.07 1a5a h ASN 236 Ca 0.02 -0.28 -0.01 0.00 -3.08 0.00 0.00 56.30 52.95 1a5a h ASN 236 Cb 0.68 -0.20 0.00 0.00 -2.08 0.00 0.00 38.32 36.73 1a5a h ASN 236 CO 0.04 0.96 -0.08 0.00 -2.08 0.00 0.00 177.43 176.27 1a5a h ALA 237 N 1.08 -0.23 -0.38 4.14 0.00 -1.71 -1.65 119.26 120.51 1a5a h ALA 237 Ca 0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1a5a h ALA 237 Cb 0.79 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1a5a h ALA 237 CO 0.06 -0.50 0.06 0.97 0.00 0.00 0.00 179.25 179.85 1a5a h ILE 238 N -0.50 1.19 -0.52 0.00 6.09 -1.15 0.13 117.51 122.76 1a5a h ILE 238 Ca -0.02 -0.71 -0.04 0.00 -1.37 0.00 0.00 64.86 62.72 1a5a h ILE 238 Cb 0.39 0.84 -0.02 0.00 0.47 0.00 0.00 36.82 38.49 1a5a h ILE 238 CO 0.04 0.25 0.16 1.23 -3.07 0.00 0.00 178.15 176.76 1a5a h GLY 239 N 0.82 0.83 0.40 8.18 0.00 -0.87 0.58 103.07 113.01 1a5a h GLY 239 Ca 0.13 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 1a5a h GLY 239 CO 0.00 0.42 -0.16 1.98 0.00 0.00 0.00 176.54 178.78 1a5a h MET 240 N 0.76 0.12 -0.29 4.80 1.85 -0.64 -1.41 114.93 120.11 1a5a h MET 240 Ca 0.17 -0.12 -0.01 0.00 -0.61 0.00 0.00 59.70 59.13 1a5a h MET 240 Cb 0.23 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.28 1a5a h MET 240 CO -0.01 0.85 0.14 0.74 -0.40 0.00 0.00 176.91 178.23 1a5a h PHE 241 N -0.56 0.42 -0.49 1.39 0.04 -0.58 -3.36 116.94 113.81 1a5a h PHE 241 Ca -0.02 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.79 1a5a h PHE 241 Cb 0.90 -0.13 -0.07 0.00 2.20 0.00 0.00 35.95 38.85 1a5a h PHE 241 CO 0.18 0.39 -0.25 0.00 -0.60 0.00 0.00 178.31 178.02 1a5a n ALA 242 N -2.24 -0.21 0.57 2.45 0.00 0.18 0.28 120.51 121.54 1a5a n ALA 242 Ca -0.02 0.45 0.11 0.00 0.00 0.00 0.00 53.44 53.99 1a5a n ALA 242 Cb 0.10 -0.13 0.45 0.00 0.00 0.00 0.00 19.45 19.87 1a5a n ALA 242 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a5a n ASP 243 N -4.66 0.47 -0.48 0.00 2.03 -1.26 -3.07 116.55 109.57 1a5a n ASP 243 Ca 0.03 0.58 0.11 0.00 0.52 0.00 0.00 54.79 56.03 1a5a n ASP 243 Cb 0.16 -0.69 0.01 0.00 -0.72 0.00 0.00 41.12 39.87 1a5a n ASP 243 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1a5a n PHE 244 N -1.98 0.00 -0.14 -0.67 3.72 0.14 -4.52 117.46 114.01 1a5a n PHE 244 Ca 0.04 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.54 1a5a n PHE 244 Cb 0.29 -0.00 0.42 0.00 -0.94 0.00 0.00 39.48 39.25 1a5a n PHE 244 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1a5a h ILE 245 N 2.37 0.94 -0.00 4.37 2.04 -1.39 -0.89 117.51 124.96 1a5a h ILE 245 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1a5a h ILE 245 Cb 0.75 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1a5a h ILE 245 CO 0.00 0.11 -0.20 0.59 0.00 0.00 0.00 178.15 178.65 1a5a n ASN 246 N -4.48 0.65 -4.39 1.72 3.02 -1.26 -4.35 115.26 106.16 1a5a n ASN 246 Ca 0.11 -0.59 -0.45 0.00 -0.03 0.00 0.00 54.58 53.62 1a5a n ASN 246 Cb 0.32 0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.49 1a5a n ASN 246 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1a5a s ASP 247 N -2.57 6.99 0.55 6.41 1.01 -0.34 -4.88 116.67 123.84 1a5a s ASP 247 Ca 0.24 -2.92 0.28 0.00 0.71 0.00 0.00 52.55 50.86 1a5a s ASP 247 Cb 0.19 -2.30 1.45 0.00 1.01 0.00 0.00 42.92 43.28 1a5a s ASP 247 CO 0.52 -0.63 1.95 0.71 0.21 0.00 0.00 175.17 177.92 1a5a h THR 248 N 4.62 0.59 0.00 -1.27 1.35 -1.78 -1.53 112.91 114.89 1a5a h THR 248 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1a5a h THR 248 Cb 0.94 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1a5a h THR 248 CO 1.04 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.77 1a5a n SER 249 N -4.18 0.63 -4.61 5.36 3.41 -1.26 -4.69 113.62 108.28 1a5a n SER 249 Ca 0.12 0.63 -0.40 0.00 -0.26 0.00 0.00 58.87 58.95 1a5a n SER 249 Cb 0.72 -0.77 -0.07 0.00 -0.26 0.00 0.00 64.21 63.82 1a5a n SER 249 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1a5a s VAL 250 N -3.24 5.02 0.25 -3.33 1.01 -0.58 -4.83 120.40 114.70 1a5a s VAL 250 Ca 0.06 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 1a5a s VAL 250 Cb 0.10 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 1a5a s VAL 250 CO 0.43 0.01 1.06 -0.83 0.00 0.00 0.00 175.10 175.77 1a5a s GLY 251 N 1.56 3.04 -0.29 4.51 0.00 -0.40 -4.92 107.32 110.81 1a5a s GLY 251 Ca 0.23 0.81 -0.00 0.00 0.00 0.00 0.00 44.72 45.75 1a5a s GLY 251 CO 0.10 1.45 -0.03 1.08 0.00 0.00 0.00 173.10 175.70 1a5a s LEU 252 N -1.16 3.78 -0.21 0.66 1.43 -1.26 -0.50 118.68 121.42 1a5a s LEU 252 Ca 0.44 -1.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.20 1a5a s LEU 252 Cb -0.30 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1a5a s LEU 252 CO 0.37 -0.24 -0.10 -0.63 0.23 0.00 0.00 176.35 175.98 1a5a s ILE 253 N 1.21 2.92 -0.14 -0.59 1.01 -0.43 -0.72 121.20 124.46 1a5a s ILE 253 Ca -0.06 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 1a5a s ILE 253 Cb -0.20 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 1a5a s ILE 253 CO -0.02 0.46 0.01 -0.83 0.00 0.00 0.00 174.94 174.56 1a5a s GLY 254 N 1.40 1.83 -0.27 6.18 0.00 -0.25 -1.46 107.32 114.75 1a5a s GLY 254 Ca 0.05 -0.79 -0.05 0.00 0.00 0.00 0.00 44.72 43.93 1a5a s GLY 254 CO -0.06 -0.22 0.02 0.14 0.00 0.00 0.00 173.10 172.98 1a5a s VAL 255 N -0.12 3.60 0.23 1.40 1.01 0.51 -0.85 120.40 126.18 1a5a s VAL 255 Ca 0.04 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 1a5a s VAL 255 Cb -0.13 -2.81 -0.06 0.00 0.00 0.00 0.00 36.38 33.39 1a5a s VAL 255 CO 0.02 0.17 0.48 -1.61 0.00 0.00 0.00 175.10 174.16 1a5a s GLU 256 N 1.45 3.65 0.05 2.72 2.02 -0.12 -0.03 118.70 128.44 1a5a s GLU 256 Ca 0.02 -0.01 -0.31 0.00 0.02 0.00 0.00 54.97 54.70 1a5a s GLU 256 Cb -0.17 -2.72 -0.06 0.00 0.10 0.00 0.00 34.13 31.28 1a5a s GLU 256 CO -0.00 0.33 1.22 -1.25 0.02 0.00 0.00 175.26 175.58 1a5a s PRO 257 N -3.14 4.41 0.00 0.39 0.04 -1.25 -2.45 135.00 133.00 1a5a s PRO 257 Ca 0.43 1.80 0.25 0.00 0.04 0.00 0.00 61.00 63.52 1a5a s PRO 257 Cb -0.11 -3.37 0.54 0.00 0.04 0.00 0.00 34.50 31.60 1a5a s PRO 257 CO 0.27 -0.30 1.43 0.41 0.04 0.00 0.00 177.00 178.84 1a5a n GLY 258 N 3.27 -0.80 7.00 0.56 0.00 0.19 -1.66 105.19 113.75 1a5a n GLY 258 Ca 0.09 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1a5a n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5a n GLY 259 N 1.41 3.35 0.18 -0.02 0.00 -1.25 -0.12 105.19 108.74 1a5a n GLY 259 Ca 0.09 0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.33 1a5a n GLY 259 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a5a n HIS 260 N 14.00 0.00 0.00 1.61 8.25 -0.77 -0.59 115.22 137.71 1a5a n HIS 260 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1a5a n HIS 260 Cb 0.00 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1a5a n HIS 260 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a5a n GLY 261 N 1.10 3.97 0.24 -1.41 0.00 0.83 -4.79 105.19 105.13 1a5a n GLY 261 Ca 0.21 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1a5a n GLY 261 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a5a h ILE 262 N 0.00 0.39 -0.14 -0.61 1.08 -1.86 0.27 117.51 116.64 1a5a h ILE 262 Ca 0.00 -0.01 0.04 0.00 -0.39 0.00 0.00 64.86 64.50 1a5a h ILE 262 Cb 0.00 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 1a5a h ILE 262 CO 0.00 0.01 0.17 1.05 -0.69 0.00 0.00 178.15 178.68 1a5a h GLU 263 N 0.03 0.00 0.00 2.37 9.09 -1.92 -0.02 114.58 124.13 1a5a h GLU 263 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.73 1a5a h GLU 263 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 1a5a h GLU 263 CO -0.62 0.00 0.00 1.79 0.05 0.00 0.00 179.01 180.23 1a5a h THR 264 N 0.00 0.00 0.00 -1.06 1.35 -1.25 -3.46 112.91 108.49 1a5a h THR 264 Ca 0.07 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1a5a h THR 264 Cb 0.40 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1a5a h THR 264 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1a5a n GLY 265 N 0.77 2.38 3.40 5.82 0.00 -0.02 -4.96 105.19 112.57 1a5a n GLY 265 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 1a5a n GLY 265 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a5a s GLU 266 N -0.32 3.75 0.26 1.61 2.02 -1.26 -4.94 118.70 119.82 1a5a s GLU 266 Ca 0.00 -2.32 -0.05 0.00 0.02 0.00 0.00 54.97 52.63 1a5a s GLU 266 Cb 0.00 -4.72 0.02 0.00 0.10 0.00 0.00 34.13 29.53 1a5a s GLU 266 CO 0.00 -1.53 0.43 -2.39 0.02 0.00 0.00 175.26 171.78 1a5a n HIS 267 N 5.01 -1.46 -2.80 1.61 1.44 -1.26 -1.85 115.22 115.91 1a5a n HIS 267 Ca 0.22 -1.55 -0.14 0.00 -2.01 0.00 0.00 57.72 54.24 1a5a n HIS 267 Cb 0.46 0.49 0.01 0.00 0.12 0.00 0.00 29.99 31.07 1a5a n HIS 267 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1a5a n GLY 268 N -0.40 2.77 2.50 -1.39 0.00 -0.66 -0.68 105.19 107.33 1a5a n GLY 268 Ca -0.02 -1.63 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 1a5a n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5a n ALA 269 N -0.02 3.80 0.12 4.61 0.00 -1.23 -3.82 120.51 123.97 1a5a n ALA 269 Ca 0.18 -4.42 -0.01 0.00 0.00 0.00 0.00 53.44 49.19 1a5a n ALA 269 Cb 0.74 -0.84 0.26 0.00 0.00 0.00 0.00 19.45 19.60 1a5a n ALA 269 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1a5a h PRO 270 N 3.72 0.15 -0.92 0.00 0.13 -1.86 0.22 132.00 133.43 1a5a h PRO 270 Ca 0.15 -0.07 0.05 0.00 -0.87 0.00 0.00 66.00 65.26 1a5a h PRO 270 Cb 0.68 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.75 1a5a h PRO 270 CO 0.74 0.55 0.59 1.25 -0.23 0.00 0.00 178.00 180.90 1a5a h LEU 271 N 0.13 0.96 0.00 1.56 6.46 -1.90 -0.60 115.31 121.93 1a5a h LEU 271 Ca 0.01 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1a5a h LEU 271 Cb 0.80 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 1a5a h LEU 271 CO 0.06 0.64 -1.77 0.29 -0.62 0.00 0.00 178.44 177.04 1a5a n LYS 272 N -4.53 0.62 -1.92 1.25 4.76 -1.20 -4.68 118.16 112.46 1a5a n LYS 272 Ca 0.13 -0.13 -0.03 0.00 -2.87 0.00 0.00 58.31 55.40 1a5a n LYS 272 Cb 0.13 -1.38 0.06 0.00 -1.84 0.00 0.00 35.03 32.01 1a5a n LYS 272 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1a5a n HIS 273 N -2.12 1.06 -3.93 2.13 8.25 0.75 -5.07 115.22 116.30 1a5a n HIS 273 Ca -0.06 -1.63 -0.04 0.00 -0.26 0.00 0.00 57.72 55.74 1a5a n HIS 273 Cb 0.49 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 1a5a n HIS 273 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a5a n GLY 274 N -0.43 3.48 3.12 -1.41 0.00 -0.24 -4.68 105.19 105.03 1a5a n GLY 274 Ca 0.17 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 1a5a n GLY 274 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a5a s ARG 275 N -2.26 0.69 0.43 1.61 1.70 -0.94 -4.80 118.95 115.39 1a5a s ARG 275 Ca 0.08 -1.04 -0.24 0.00 -0.47 0.00 0.00 55.73 54.06 1a5a s ARG 275 Cb 0.00 -0.29 -0.10 0.00 -0.57 0.00 0.00 34.95 34.00 1a5a s ARG 275 CO 0.06 0.03 1.15 0.28 -1.08 0.00 0.00 175.30 175.73 1a5a n VAL 276 N 0.75 2.63 -3.82 4.99 0.31 -1.26 -0.82 118.33 121.11 1a5a n VAL 276 Ca -0.18 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.55 1a5a n VAL 276 Cb 0.57 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1a5a n VAL 276 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a5a n GLY 277 N 0.99 1.56 2.93 2.92 0.00 -0.53 -4.80 105.19 108.27 1a5a n GLY 277 Ca 0.08 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 1a5a n GLY 277 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5a s ILE 278 N -2.45 1.43 0.10 -0.61 1.01 -1.26 -1.85 121.20 117.57 1a5a s ILE 278 Ca 0.19 -1.03 -0.26 0.00 0.00 0.00 0.00 60.65 59.55 1a5a s ILE 278 Cb -0.03 -1.65 0.08 0.00 0.01 0.00 0.00 42.46 40.87 1a5a s ILE 278 CO 0.14 0.00 0.80 -0.47 0.00 0.00 0.00 174.94 175.40 1a5a s TYR 279 N 1.46 -0.36 -1.96 3.97 5.04 -0.62 -4.93 117.35 119.95 1a5a s TYR 279 Ca -0.03 0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 1a5a s TYR 279 Cb -0.17 0.58 0.00 0.00 0.35 0.00 0.00 41.96 42.71 1a5a s TYR 279 CO -0.07 -0.75 0.00 1.19 -1.34 0.00 0.00 175.55 174.58 1a5a n PHE 280 N -0.34 -0.58 -1.18 4.97 3.72 -1.26 -1.69 117.46 121.10 1a5a n PHE 280 Ca -0.10 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.23 1a5a n PHE 280 Cb 0.62 -3.77 -0.03 0.00 -0.94 0.00 0.00 39.48 35.37 1a5a n PHE 280 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a5a n GLY 281 N -0.76 0.85 3.20 1.37 0.00 -1.25 -3.63 105.19 104.97 1a5a n GLY 281 Ca -0.23 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1a5a n GLY 281 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1a5a s MET 282 N -2.27 0.79 -0.39 1.61 0.23 -0.68 -0.53 119.30 118.07 1a5a s MET 282 Ca 0.00 -0.82 -0.17 0.00 -1.03 0.00 0.00 55.69 53.67 1a5a s MET 282 Cb 0.00 0.33 0.01 0.00 -1.53 0.00 0.00 34.83 33.64 1a5a s MET 282 CO 0.00 -0.25 0.44 0.21 -2.03 0.00 0.00 175.02 173.40 1a5a s LYS 283 N -3.36 3.30 0.14 3.16 2.20 0.58 -1.59 119.74 124.18 1a5a s LYS 283 Ca 0.01 -0.56 -0.24 0.00 -0.36 0.00 0.00 55.97 54.82 1a5a s LYS 283 Cb 0.03 -3.90 0.07 0.00 -1.51 0.00 0.00 37.83 32.51 1a5a s LYS 283 CO -0.08 -0.75 0.67 0.00 -0.36 0.00 0.00 175.35 174.82 1a5a s ALA 284 N 2.19 -1.60 0.24 3.13 0.00 -0.77 -1.29 121.76 123.65 1a5a s ALA 284 Ca 0.14 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 1a5a s ALA 284 Cb -0.16 0.80 -0.10 0.00 0.00 0.00 0.00 23.12 23.65 1a5a s ALA 284 CO 0.13 -0.79 1.49 -1.25 0.00 0.00 0.00 175.76 175.35 1a5a s PRO 285 N -3.65 4.23 0.17 0.00 0.04 -1.26 -1.46 135.00 133.08 1a5a s PRO 285 Ca 0.03 2.36 -0.04 0.00 0.04 0.00 0.00 61.00 63.39 1a5a s PRO 285 Cb -0.01 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 1a5a s PRO 285 CO -0.10 -0.50 0.18 0.00 0.04 0.00 0.00 177.00 176.62 1a5a s MET 286 N -0.05 1.13 -0.28 4.56 0.23 -0.00 -3.61 119.30 121.27 1a5a s MET 286 Ca 0.62 -1.42 -0.26 0.00 -1.03 0.00 0.00 55.69 53.60 1a5a s MET 286 Cb -0.43 0.31 0.01 0.00 -1.53 0.00 0.00 34.83 33.18 1a5a s MET 286 CO 0.41 -0.38 0.93 -1.64 -2.03 0.00 0.00 175.02 172.32 1a5a s MET 287 N -4.06 4.10 -0.00 3.16 -1.94 0.19 -2.21 119.30 118.53 1a5a s MET 287 Ca 0.27 0.96 -0.27 0.00 -1.71 0.00 0.00 55.69 54.94 1a5a s MET 287 Cb 0.06 -3.70 0.06 0.00 2.01 0.00 0.00 34.83 33.26 1a5a s MET 287 CO 0.05 -0.70 0.60 1.14 -0.01 0.00 0.00 175.02 176.10 1a5a s GLN 288 N 3.19 1.04 1.08 2.03 -2.07 -1.26 -0.23 119.66 123.43 1a5a s GLN 288 Ca 0.39 0.02 -0.15 0.00 -1.82 0.00 0.00 55.36 53.80 1a5a s GLN 288 Cb -0.14 0.48 0.23 0.00 -1.09 0.00 0.00 33.01 32.49 1a5a s GLN 288 CO 0.11 -0.35 1.10 0.95 -1.32 0.00 0.00 175.29 175.78 1a5a s THR 289 N -1.78 1.86 0.38 3.63 -4.23 0.09 -4.91 115.64 110.68 1a5a s THR 289 Ca -0.09 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.65 1a5a s THR 289 Cb -0.01 -2.50 0.24 0.00 1.34 0.00 0.00 72.50 71.57 1a5a s THR 289 CO 0.04 0.00 1.99 0.00 -0.54 0.00 0.00 174.62 176.11 1a5a h ALA 290 N -2.16 1.32 -0.38 3.99 0.00 -2.02 -2.88 119.26 117.13 1a5a h ALA 290 Ca -0.51 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.07 1a5a h ALA 290 Cb 1.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1a5a h ALA 290 CO 0.49 0.23 -0.37 -0.44 0.00 0.00 0.00 179.25 179.16 1a5a h ASP 291 N 0.00 0.97 0.00 0.00 3.32 -2.06 -3.47 116.42 115.18 1a5a h ASP 291 Ca -0.00 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1a5a h ASP 291 Cb 0.43 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1a5a h ASP 291 CO 0.02 1.22 0.00 0.61 -1.72 0.00 0.00 179.24 179.38 1a5a n GLY 292 N 0.09 1.50 3.57 2.75 0.00 -1.08 -5.10 105.19 106.92 1a5a n GLY 292 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1a5a n GLY 292 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a5a s GLN 293 N 0.00 3.74 0.42 1.61 -1.52 -1.26 -4.87 119.66 117.79 1a5a s GLN 293 Ca 0.00 -0.07 -0.25 0.00 -1.95 0.00 0.00 55.36 53.09 1a5a s GLN 293 Cb 0.00 -3.76 -0.10 0.00 -0.22 0.00 0.00 33.01 28.93 1a5a s GLN 293 CO 0.00 -0.54 1.25 -0.89 -0.25 0.00 0.00 175.29 174.86 1a5a n ILE 294 N 5.33 2.59 -4.47 1.08 2.08 -1.26 -0.73 119.36 123.99 1a5a n ILE 294 Ca -0.05 -0.50 -0.29 0.00 0.56 0.00 0.00 62.75 62.46 1a5a n ILE 294 Cb 0.49 -1.54 -0.07 0.00 -0.75 0.00 0.00 39.64 37.78 1a5a n ILE 294 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1a5a s GLU 295 N -2.21 2.17 0.07 0.38 2.02 0.68 -4.83 118.70 116.97 1a5a s GLU 295 Ca 0.61 -2.19 -0.15 0.00 0.02 0.00 0.00 54.97 53.27 1a5a s GLU 295 Cb -0.51 -1.73 -0.06 0.00 0.10 0.00 0.00 34.13 31.93 1a5a s GLU 295 CO 0.58 -0.31 0.48 -1.21 0.02 0.00 0.00 175.26 174.82 1a5a s GLU 296 N -3.93 3.98 -0.16 1.61 2.02 -1.26 -4.67 118.70 116.29 1a5a s GLU 296 Ca 0.22 0.48 -0.16 0.00 0.02 0.00 0.00 54.97 55.54 1a5a s GLU 296 Cb 0.03 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 1a5a s GLU 296 CO 0.12 0.61 0.38 -1.12 0.02 0.00 0.00 175.26 175.27 1a5a s SER 297 N -1.34 6.50 0.02 -0.19 0.01 -1.26 -4.88 113.70 112.56 1a5a s SER 297 Ca 0.30 0.59 -0.03 0.00 1.31 0.00 0.00 55.95 58.12 1a5a s SER 297 Cb -0.17 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 1a5a s SER 297 CO 0.17 0.00 0.21 -0.47 0.41 0.00 0.00 173.24 173.57 1a5a s TYR 298 N 0.83 3.54 -0.23 2.43 5.04 0.14 -4.61 117.35 124.50 1a5a s TYR 298 Ca 0.20 0.39 -0.28 0.00 -2.44 0.00 0.00 57.07 54.93 1a5a s TYR 298 Cb -0.14 -1.85 0.15 0.00 0.35 0.00 0.00 41.96 40.46 1a5a s TYR 298 CO 0.07 0.62 1.12 0.45 -1.34 0.00 0.00 175.55 176.47 1a5a s SER 299 N -2.04 -0.29 0.52 4.32 0.15 -1.26 -2.37 113.70 112.74 1a5a s SER 299 Ca 0.30 0.40 0.21 0.00 0.70 0.00 0.00 55.95 57.56 1a5a s SER 299 Cb -0.13 0.36 1.38 0.00 -1.71 0.00 0.00 66.02 65.92 1a5a s SER 299 CO 0.20 -0.21 2.13 -0.29 1.20 0.00 0.00 173.24 176.28 1a5a h ILE 300 N 2.75 0.85 -3.34 6.45 2.10 -1.95 -3.36 117.51 121.00 1a5a h ILE 300 Ca -0.19 -0.22 -0.74 0.00 1.08 0.00 0.00 64.86 64.79 1a5a h ILE 300 Cb 1.17 1.12 -0.23 0.00 -1.09 0.00 0.00 36.82 37.80 1a5a h ILE 300 CO 0.23 0.06 -0.35 -0.94 -1.08 0.00 0.00 178.15 176.07 1a5a s SER 301 N -6.69 6.11 0.60 2.19 1.04 -1.26 -4.96 113.70 110.73 1a5a s SER 301 Ca -0.04 -1.29 0.29 0.00 0.48 0.00 0.00 55.95 55.39 1a5a s SER 301 Cb 0.16 -2.17 1.50 0.00 0.10 0.00 0.00 66.02 65.61 1a5a s SER 301 CO 0.63 -0.62 1.91 0.00 0.98 0.00 0.00 173.24 176.14 1a5a h ALA 302 N 8.72 2.05 0.00 5.32 0.00 -2.00 -0.39 119.26 132.96 1a5a h ALA 302 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1a5a h ALA 302 Cb 1.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1a5a h ALA 302 CO 0.85 -0.64 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1a5a n GLY 303 N -1.46 -0.90 0.56 0.00 0.00 -1.26 -2.89 105.19 99.23 1a5a n GLY 303 Ca 0.07 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.07 1a5a n GLY 303 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a5a n LEU 304 N -1.21 3.27 -2.84 0.99 4.77 -0.15 -4.77 117.00 117.04 1a5a n LEU 304 Ca 0.11 -3.06 -0.34 0.00 -0.03 0.00 0.00 56.01 52.70 1a5a n LEU 304 Cb 0.14 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1a5a n LEU 304 CO 0.15 0.69 1.64 0.47 -1.33 0.00 0.00 177.39 179.02 1a5a n ASP 305 N -0.89 7.09 -4.64 -1.43 9.92 -1.14 -4.84 116.55 120.61 1a5a n ASP 305 Ca 0.19 -3.46 -0.38 0.00 -0.53 0.00 0.00 54.79 50.61 1a5a n ASP 305 Cb 0.79 -1.18 -0.09 0.00 -0.64 0.00 0.00 41.12 40.00 1a5a n ASP 305 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1a5a s PHE 306 N -2.71 3.31 -1.85 1.24 5.36 -1.26 -4.55 117.98 117.51 1a5a s PHE 306 Ca 0.54 0.38 0.12 0.00 -0.96 0.00 0.00 56.93 57.01 1a5a s PHE 306 Cb 0.37 -2.43 0.66 0.00 -0.34 0.00 0.00 43.02 41.28 1a5a s PHE 306 CO -0.27 -0.05 1.16 -2.30 -1.46 0.00 0.00 175.22 172.31 1a5a n PRO 307 N 4.66 0.31 -1.11 10.12 -0.02 -1.26 -4.75 135.00 142.95 1a5a n PRO 307 Ca -0.11 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1a5a n PRO 307 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1a5a n PRO 307 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1a5a n SER 308 N -1.07 0.00 -3.76 2.55 2.88 -1.26 -0.64 113.62 112.32 1a5a n SER 308 Ca 0.08 -0.56 -0.10 0.00 -1.33 0.00 0.00 58.87 56.96 1a5a n SER 308 Cb 0.05 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.45 1a5a n SER 308 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1a5a s VAL 309 N -1.58 0.11 0.33 2.46 -7.23 -1.24 -4.72 120.40 108.53 1a5a s VAL 309 Ca 0.00 -0.89 -0.29 0.00 -1.81 0.00 0.00 61.98 58.99 1a5a s VAL 309 Cb 0.00 -1.23 -0.11 0.00 0.56 0.00 0.00 36.38 35.60 1a5a s VAL 309 CO 0.00 -0.49 1.53 -0.83 -0.31 0.00 0.00 175.10 175.00 1a5a s GLY 310 N -2.76 2.54 0.50 2.32 0.00 -0.29 -4.72 107.32 104.91 1a5a s GLY 310 Ca 0.03 1.56 0.18 0.00 0.00 0.00 0.00 44.72 46.49 1a5a s GLY 310 CO -0.11 2.39 2.07 -0.56 0.00 0.00 0.00 173.10 176.89 1a5a h PRO 311 N 3.93 0.09 0.00 2.90 0.13 -1.89 -1.15 132.00 136.02 1a5a h PRO 311 Ca -0.49 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1a5a h PRO 311 Cb 1.23 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1a5a h PRO 311 CO 0.72 0.06 -0.41 0.37 -0.23 0.00 0.00 178.00 178.51 1a5a h GLN 312 N 0.10 0.00 -0.17 0.86 4.15 -1.88 -1.55 115.11 116.61 1a5a h GLN 312 Ca 0.14 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.41 1a5a h GLN 312 Cb 0.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1a5a h GLN 312 CO -0.01 0.41 -0.45 0.45 -1.93 0.00 0.00 178.83 177.30 1a5a h HIS 313 N 0.00 0.79 -0.77 3.99 3.86 -1.58 0.01 115.15 121.44 1a5a h HIS 313 Ca -0.00 -0.30 0.02 0.00 -1.16 0.00 0.00 60.37 58.92 1a5a h HIS 313 Cb 0.88 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.17 1a5a h HIS 313 CO 0.00 1.07 0.50 0.00 0.86 0.00 0.00 177.93 180.37 1a5a h ALA 314 N 0.57 1.00 0.07 2.45 0.00 -1.35 -1.31 119.26 120.69 1a5a h ALA 314 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a5a h ALA 314 Cb 1.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1a5a h ALA 314 CO 0.10 0.35 -0.03 -0.92 0.00 0.00 0.00 179.25 178.74 1a5a h TYR 315 N 1.01 -0.09 -0.42 0.00 3.20 -1.16 -2.36 116.97 117.15 1a5a h TYR 315 Ca 0.30 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.23 1a5a h TYR 315 Cb -0.06 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1a5a h TYR 315 CO -0.02 0.24 0.29 -0.07 -1.64 0.00 0.00 178.16 176.95 1a5a h LEU 316 N -0.42 0.24 -0.32 2.82 3.38 -0.80 0.54 115.31 120.76 1a5a h LEU 316 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1a5a h LEU 316 Cb 0.36 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1a5a h LEU 316 CO 0.02 0.15 -0.04 -1.13 0.09 0.00 0.00 178.44 177.53 1a5a h ASN 317 N 0.27 0.00 0.69 -0.43 -1.24 -1.16 -2.08 115.58 111.63 1a5a h ASN 317 Ca 0.19 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.94 1a5a h ASN 317 Cb 0.40 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.45 1a5a h ASN 317 CO -0.04 0.04 -1.17 0.77 -1.29 0.00 0.00 177.43 175.74 1a5a h SER 318 N 0.00 0.34 0.10 1.15 4.64 -0.35 -3.33 113.55 116.10 1a5a h SER 318 Ca -0.00 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1a5a h SER 318 Cb 0.93 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1a5a h SER 318 CO 0.01 1.27 -0.13 2.30 -0.87 0.00 0.00 176.83 179.41 1a5a n ILE 319 N -3.51 0.00 -0.27 0.95 -5.35 -0.96 -4.95 119.36 105.27 1a5a n ILE 319 Ca -0.07 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1a5a n ILE 319 Cb 0.99 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 1a5a n ILE 319 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a5a n GLY 320 N 1.26 0.81 0.10 3.28 0.00 -1.15 -4.96 105.19 104.53 1a5a n GLY 320 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1a5a n GLY 320 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a5a h ARG 321 N 3.97 0.19 -6.78 1.61 2.47 -1.71 -3.45 114.38 110.69 1a5a h ARG 321 Ca 0.00 -0.08 -0.68 0.00 -1.26 0.00 0.00 59.98 57.96 1a5a h ARG 321 Cb 0.00 -0.01 -0.20 0.00 -1.65 0.00 0.00 29.97 28.11 1a5a h ARG 321 CO 0.00 0.54 -0.82 0.00 0.56 0.00 0.00 179.97 180.25 1a5a s ALA 322 N -4.59 2.58 -0.05 0.04 0.00 -1.02 -4.36 121.76 114.36 1a5a s ALA 322 Ca -0.15 -1.38 0.05 0.00 0.00 0.00 0.00 51.96 50.49 1a5a s ALA 322 Cb 0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1a5a s ALA 322 CO 0.71 0.58 -0.21 -0.51 0.00 0.00 0.00 175.76 176.32 1a5a s ASP 323 N -2.07 3.40 -0.04 0.00 1.01 0.10 -4.12 116.67 114.95 1a5a s ASP 323 Ca 0.16 -0.40 0.06 0.00 0.71 0.00 0.00 52.55 53.09 1a5a s ASP 323 Cb -0.10 -0.78 -0.02 0.00 1.01 0.00 0.00 42.92 43.02 1a5a s ASP 323 CO 0.09 0.28 -0.23 -0.31 0.21 0.00 0.00 175.17 175.21 1a5a s TYR 324 N -0.38 2.44 0.28 4.23 1.51 -1.26 -1.09 117.35 123.08 1a5a s TYR 324 Ca 0.03 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.61 1a5a s TYR 324 Cb -0.12 -1.57 -0.01 0.00 -0.11 0.00 0.00 41.96 40.16 1a5a s TYR 324 CO 0.02 -0.07 0.06 1.33 -1.11 0.00 0.00 175.55 175.78 1a5a n VAL 325 N 2.63 0.00 -4.25 0.71 0.24 -0.03 -4.95 118.33 112.68 1a5a n VAL 325 Ca -0.17 -1.53 -0.19 0.00 -2.04 0.00 0.00 64.34 60.41 1a5a n VAL 325 Cb 0.52 0.47 -0.11 0.00 -1.47 0.00 0.00 33.84 33.24 1a5a n VAL 325 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1a5a s SER 326 N -2.66 2.10 -0.07 -1.34 0.15 -1.26 -0.94 113.70 109.67 1a5a s SER 326 Ca 0.09 -0.77 -0.03 0.00 0.70 0.00 0.00 55.95 55.94 1a5a s SER 326 Cb 0.00 -0.08 0.04 0.00 -1.71 0.00 0.00 66.02 64.27 1a5a s SER 326 CO 0.06 -0.10 0.15 -0.63 1.20 0.00 0.00 173.24 173.92 1a5a s ILE 327 N -1.88 -0.11 0.83 6.45 -1.09 -1.03 -4.89 121.20 119.48 1a5a s ILE 327 Ca 0.08 0.24 -0.11 0.00 -2.23 0.00 0.00 60.65 58.62 1a5a s ILE 327 Cb -0.06 -0.25 0.09 0.00 -1.58 0.00 0.00 42.46 40.65 1a5a s ILE 327 CO 0.03 0.10 1.09 -0.89 -1.23 0.00 0.00 174.94 174.04 1a5a s THR 328 N 1.51 3.00 0.16 2.92 2.01 -1.26 0.56 115.64 124.54 1a5a s THR 328 Ca -0.05 0.32 -0.15 0.00 0.31 0.00 0.00 61.69 62.12 1a5a s THR 328 Cb -0.12 -2.93 0.04 0.00 0.01 0.00 0.00 72.50 69.50 1a5a s THR 328 CO -0.06 -0.42 1.77 0.44 -0.69 0.00 0.00 174.62 175.66 1a5a h ASP 329 N -1.26 0.24 -0.83 3.53 3.32 -1.16 -1.42 116.42 118.85 1a5a h ASP 329 Ca -0.47 0.03 0.01 0.00 0.02 0.00 0.00 57.03 56.62 1a5a h ASP 329 Cb 1.27 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.77 1a5a h ASP 329 CO 0.56 0.18 0.55 0.44 -1.72 0.00 0.00 179.24 179.24 1a5a h ASP 330 N 0.37 0.96 -0.21 6.45 3.32 -1.94 0.27 116.42 125.64 1a5a h ASP 330 Ca 0.19 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 1a5a h ASP 330 Cb 0.13 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1a5a h ASP 330 CO -0.16 0.70 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.48 1a5a h GLU 331 N 1.13 0.69 -0.14 3.56 5.08 -1.80 -0.70 114.58 122.40 1a5a h GLU 331 Ca 0.30 -0.28 -0.19 0.00 -1.00 0.00 0.00 59.36 58.19 1a5a h GLU 331 Cb -0.12 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1a5a h GLU 331 CO -0.06 0.87 -0.69 0.00 -1.00 0.00 0.00 179.01 178.13 1a5a h ALA 332 N 1.12 0.53 -0.59 3.43 0.00 -0.60 -1.73 119.26 121.43 1a5a h ALA 332 Ca 0.08 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1a5a h ALA 332 Cb 0.74 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1a5a h ALA 332 CO 0.06 0.72 0.12 1.25 0.00 0.00 0.00 179.25 181.40 1a5a h LEU 333 N 0.41 0.91 -0.46 0.00 5.85 -0.27 -0.97 115.31 120.77 1a5a h LEU 333 Ca -0.03 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.36 1a5a h LEU 333 Cb 1.28 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1a5a h LEU 333 CO 0.13 0.92 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.99 1a5a h GLU 334 N 0.86 0.87 -0.59 1.25 4.22 -1.08 -1.98 114.58 118.13 1a5a h GLU 334 Ca 0.18 -0.32 -0.05 0.00 0.08 0.00 0.00 59.36 59.26 1a5a h GLU 334 Cb 0.38 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1a5a h GLU 334 CO 0.01 0.95 0.18 0.00 -2.18 0.00 0.00 179.01 177.97 1a5a h ALA 335 N 0.89 1.21 0.67 2.92 0.00 -1.14 -0.97 119.26 122.83 1a5a h ALA 335 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1a5a h ALA 335 Cb 0.61 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1a5a h ALA 335 CO 0.04 0.56 -0.38 0.35 0.00 0.00 0.00 179.25 179.82 1a5a h PHE 336 N 0.86 -0.99 -0.94 0.00 3.57 -0.91 -2.12 116.94 116.42 1a5a h PHE 336 Ca 0.19 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.75 1a5a h PHE 336 Cb 0.26 0.34 -0.07 0.00 2.79 0.00 0.00 35.95 39.28 1a5a h PHE 336 CO 0.02 -0.58 0.60 0.87 -2.23 0.00 0.00 178.31 176.98 1a5a h LYS 337 N -0.97 1.05 -0.46 1.11 1.57 -1.20 -2.60 116.57 115.06 1a5a h LYS 337 Ca -0.09 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1a5a h LYS 337 Cb 0.77 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1a5a h LYS 337 CO 0.11 0.69 0.24 1.15 -0.57 0.00 0.00 179.45 181.07 1a5a h THR 338 N 1.08 1.17 -0.33 -0.16 2.02 -1.04 -2.00 112.91 113.66 1a5a h THR 338 Ca 0.41 -0.47 -0.12 0.00 0.77 0.00 0.00 66.41 67.00 1a5a h THR 338 Cb 0.19 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1a5a h THR 338 CO -0.18 0.19 -0.27 0.25 0.37 0.00 0.00 175.52 175.87 1a5a h LEU 339 N 0.60 0.70 -0.06 2.58 5.85 -1.13 -0.65 115.31 123.20 1a5a h LEU 339 Ca 0.16 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1a5a h LEU 339 Cb 0.08 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1a5a h LEU 339 CO -0.02 0.94 0.02 0.00 -0.34 0.00 0.00 178.44 179.04 1a5a h ARG 341 N -0.10 0.27 0.00 0.00 2.43 -1.29 -2.43 114.38 113.27 1a5a h ARG 341 Ca 0.02 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1a5a h ARG 341 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1a5a h ARG 341 CO -0.00 0.67 -1.58 0.72 -1.51 0.00 0.00 179.97 178.26 1a5a n HIS 342 N -4.00 0.00 0.00 2.20 8.25 -0.26 -4.69 115.22 116.72 1a5a n HIS 342 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1a5a n HIS 342 Cb 0.50 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1a5a n HIS 342 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1a5a n GLU 343 N -1.95 3.45 -1.49 -0.41 -0.58 -0.32 -4.59 120.64 114.73 1a5a n GLU 343 Ca -0.01 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.71 1a5a n GLU 343 Cb 0.44 -0.47 -0.01 0.00 -0.57 0.00 0.00 31.44 30.83 1a5a n GLU 343 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a5a n GLY 344 N 0.88 0.42 3.11 0.62 0.00 -0.91 -5.02 105.19 104.30 1a5a n GLY 344 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1a5a n GLY 344 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5a s ILE 345 N -2.09 1.83 -0.57 -0.61 1.01 -1.21 -4.99 121.20 114.58 1a5a s ILE 345 Ca 0.00 -0.83 -0.20 0.00 0.00 0.00 0.00 60.65 59.62 1a5a s ILE 345 Cb 0.00 -1.65 0.08 0.00 0.01 0.00 0.00 42.46 40.91 1a5a s ILE 345 CO 0.00 0.51 0.73 -0.63 0.00 0.00 0.00 174.94 175.54 1a5a s ILE 346 N 0.97 4.75 0.44 2.92 1.01 -1.26 -2.72 121.20 127.31 1a5a s ILE 346 Ca -0.05 -0.71 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 1a5a s ILE 346 Cb -0.15 -4.46 -0.07 0.00 0.01 0.00 0.00 42.46 37.79 1a5a s ILE 346 CO -0.04 -1.08 0.84 -2.16 0.00 0.00 0.00 174.94 172.51 1a5a s PRO 347 N 2.90 3.83 0.40 2.79 0.04 -1.26 -0.88 135.00 142.83 1a5a s PRO 347 Ca 0.15 0.63 -0.26 0.00 0.04 0.00 0.00 61.00 61.55 1a5a s PRO 347 Cb -0.21 -2.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 1a5a s PRO 347 CO 0.09 -0.11 1.30 0.00 0.04 0.00 0.00 177.00 178.31 1a5a s ALA 348 N -2.46 3.26 0.63 8.56 0.00 -0.31 -3.26 121.76 128.19 1a5a s ALA 348 Ca 0.54 1.22 0.33 0.00 0.00 0.00 0.00 51.96 54.05 1a5a s ALA 348 Cb -0.10 -3.48 1.86 0.00 0.00 0.00 0.00 23.12 21.40 1a5a s ALA 348 CO 0.31 -0.80 2.12 -0.07 0.00 0.00 0.00 175.76 177.33 1a5a h LEU 349 N 2.71 0.00 0.18 0.00 3.38 -1.90 0.18 115.31 119.86 1a5a h LEU 349 Ca -0.49 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1a5a h LEU 349 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1a5a h LEU 349 CO 0.63 0.00 -0.09 -0.33 0.09 0.00 0.00 178.44 178.74 1a5a h GLU 350 N 0.00 -0.24 -0.56 1.13 3.07 -1.93 -3.20 114.58 112.86 1a5a h GLU 350 Ca 0.04 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1a5a h GLU 350 Cb 0.42 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.35 1a5a h GLU 350 CO -0.00 0.15 0.29 0.77 -1.40 0.00 0.00 179.01 178.82 1a5a h SER 351 N -0.70 0.69 -0.06 1.42 0.02 -1.33 -2.27 113.55 111.32 1a5a h SER 351 Ca -0.03 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1a5a h SER 351 Cb 0.49 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 1a5a h SER 351 CO 0.04 0.58 0.19 0.28 -1.14 0.00 0.00 176.83 176.78 1a5a h SER 352 N 0.78 0.00 0.12 3.07 0.02 -0.73 0.21 113.55 117.02 1a5a h SER 352 Ca 0.20 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.95 1a5a h SER 352 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1a5a h SER 352 CO -0.03 0.00 -0.77 0.45 -1.14 0.00 0.00 176.83 175.34 1a5a h HIS 353 N 0.00 0.75 -0.08 3.45 3.86 -1.45 0.39 115.15 122.06 1a5a h HIS 353 Ca 0.03 -0.34 -0.05 0.00 -1.16 0.00 0.00 60.37 58.85 1a5a h HIS 353 Cb 0.40 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 1a5a h HIS 353 CO 0.00 1.12 -0.14 0.00 0.86 0.00 0.00 177.93 179.78 1a5a h ALA 354 N 0.78 0.13 -0.54 2.45 0.00 -0.74 -2.81 119.26 118.53 1a5a h ALA 354 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1a5a h ALA 354 Cb 1.37 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1a5a h ALA 354 CO 0.14 0.02 0.35 1.25 0.00 0.00 0.00 179.25 181.01 1a5a h LEU 355 N -0.21 0.63 -1.00 0.00 5.85 -1.33 -2.65 115.31 116.61 1a5a h LEU 355 Ca 0.01 -0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.83 1a5a h LEU 355 Cb 0.70 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 1a5a h LEU 355 CO 0.03 0.47 0.62 0.00 -0.34 0.00 0.00 178.44 179.23 1a5a h ALA 356 N 1.18 1.54 -0.41 1.25 0.00 -0.89 -1.03 119.26 120.90 1a5a h ALA 356 Ca 0.20 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1a5a h ALA 356 Cb -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1a5a h ALA 356 CO -0.04 0.16 -0.33 1.25 0.00 0.00 0.00 179.25 180.29 1a5a h HIS 357 N 0.94 1.12 -0.24 0.00 -0.00 -1.21 -2.04 115.15 113.71 1a5a h HIS 357 Ca 0.51 -0.31 -0.06 0.00 -0.00 0.00 0.00 60.37 60.51 1a5a h HIS 357 Cb 0.58 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 1a5a h HIS 357 CO -0.01 1.14 -0.13 0.00 -0.00 0.00 0.00 177.93 178.93 1a5a h ALA 358 N 0.83 1.34 -0.10 5.26 0.00 -1.13 -0.41 119.26 125.05 1a5a h ALA 358 Ca 0.08 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1a5a h ALA 358 Cb 0.92 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1a5a h ALA 358 CO 0.09 0.45 -0.44 -0.07 0.00 0.00 0.00 179.25 179.27 1a5a h LEU 359 N 0.37 0.24 -0.16 0.00 3.38 -0.99 -1.67 115.31 116.47 1a5a h LEU 359 Ca 0.07 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1a5a h LEU 359 Cb 0.46 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1a5a h LEU 359 CO 0.03 0.66 -0.29 0.50 0.09 0.00 0.00 178.44 179.42 1a5a h LYS 360 N 0.19 0.48 -0.28 1.13 3.64 -0.68 -0.19 116.57 120.86 1a5a h LYS 360 Ca 0.01 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 1a5a h LYS 360 Cb 0.86 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1a5a h LYS 360 CO 0.07 0.90 0.14 0.52 -2.27 0.00 0.00 179.45 178.81 1a5a h MET 361 N 0.12 0.38 0.03 1.90 2.86 -0.96 -0.16 114.93 119.10 1a5a h MET 361 Ca 0.01 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1a5a h MET 361 Cb 0.88 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1a5a h MET 361 CO 0.07 0.30 -0.02 1.98 1.06 0.00 0.00 176.91 180.30 1a5a h MET 362 N 0.39 -0.04 -0.77 1.72 1.85 -1.26 -3.33 114.93 113.49 1a5a h MET 362 Ca 0.10 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.14 1a5a h MET 362 Cb 0.03 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.04 1a5a h MET 362 CO -0.02 0.61 0.28 0.00 -0.40 0.00 0.00 176.91 177.39 1a5a h ARG 363 N -0.93 1.16 0.00 0.39 -0.00 -0.83 -1.73 114.38 112.44 1a5a h ARG 363 Ca -0.00 -0.22 -0.07 0.00 -0.50 0.00 0.00 59.98 59.19 1a5a h ARG 363 Cb 0.67 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 30.45 1a5a h ARG 363 CO 0.01 0.95 -0.32 0.93 0.00 0.00 0.00 179.97 181.54 1a5a h GLU 364 N 1.12 0.00 -1.84 0.04 5.08 -1.21 -3.34 114.58 114.43 1a5a h GLU 364 Ca 0.25 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.08 1a5a h GLU 364 Cb 0.24 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 29.12 1a5a h GLU 364 CO -0.02 0.32 -1.06 1.04 -1.00 0.00 0.00 179.01 178.30 1a5a n GLN 365 N -3.95 0.71 0.17 2.33 6.02 -1.13 -4.99 117.38 116.55 1a5a n GLN 365 Ca -0.02 -3.10 0.11 0.00 -0.01 0.00 0.00 57.00 53.98 1a5a n GLN 365 Cb 0.39 -1.24 0.57 0.00 1.02 0.00 0.00 30.24 30.98 1a5a n GLN 365 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1a5a n PRO 366 N 1.44 0.14 -0.11 -1.09 -0.04 -0.66 -1.11 135.00 133.56 1a5a n PRO 366 Ca 0.20 0.63 0.10 0.00 -0.04 0.00 0.00 63.50 64.40 1a5a n PRO 366 Cb 0.54 -2.00 0.15 0.00 -0.04 0.00 0.00 33.50 32.16 1a5a n PRO 366 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1a5a n GLU 367 N -2.25 2.19 -2.83 0.54 -0.58 -1.26 -0.93 120.64 115.51 1a5a n GLU 367 Ca -0.01 -2.01 -0.42 0.00 -0.42 0.00 0.00 57.16 54.30 1a5a n GLU 367 Cb 0.08 -1.43 -0.04 0.00 -0.57 0.00 0.00 31.44 29.48 1a5a n GLU 367 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1a5a s LYS 368 N -1.49 4.36 -0.26 3.49 2.20 -0.27 -4.83 119.74 122.95 1a5a s LYS 368 Ca 0.31 1.14 -0.29 0.00 -0.36 0.00 0.00 55.97 56.77 1a5a s LYS 368 Cb 0.19 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.98 1a5a s LYS 368 CO 0.27 -0.28 1.04 -2.00 -0.36 0.00 0.00 175.35 174.03 1a5a s GLU 369 N 1.94 4.20 -0.15 4.03 2.12 -1.26 -3.96 118.70 125.62 1a5a s GLU 369 Ca 0.42 1.27 -0.10 0.00 0.36 0.00 0.00 54.97 56.92 1a5a s GLU 369 Cb -0.17 -3.67 0.05 0.00 0.26 0.00 0.00 34.13 30.60 1a5a s GLU 369 CO 0.15 -0.70 0.38 1.14 -0.54 0.00 0.00 175.26 175.69 1a5a s GLN 370 N 3.31 0.38 -0.47 4.30 -2.07 -0.99 -4.99 119.66 119.14 1a5a s GLN 370 Ca 0.44 0.68 -0.15 0.00 -1.82 0.00 0.00 55.36 54.51 1a5a s GLN 370 Cb -0.14 0.03 0.07 0.00 -1.09 0.00 0.00 33.01 31.88 1a5a s GLN 370 CO 0.09 -0.13 0.39 -1.17 -1.32 0.00 0.00 175.29 173.15 1a5a s LEU 371 N 1.04 5.62 0.17 2.60 0.20 -1.26 -0.74 118.68 126.31 1a5a s LEU 371 Ca -0.07 -1.33 0.07 0.00 0.69 0.00 0.00 54.13 53.50 1a5a s LEU 371 Cb -0.07 -2.18 -0.04 0.00 -0.43 0.00 0.00 46.19 43.47 1a5a s LEU 371 CO -0.08 -0.64 -0.01 -0.76 -0.29 0.00 0.00 176.35 174.56 1a5a s LEU 372 N 1.64 3.28 -0.09 -0.68 1.43 0.11 0.16 118.68 124.53 1a5a s LEU 372 Ca 0.04 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1a5a s LEU 372 Cb -0.24 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.06 1a5a s LEU 372 CO 0.07 0.09 -0.04 -0.69 0.23 0.00 0.00 176.35 176.01 1a5a s VAL 373 N -1.71 0.70 -0.15 -1.59 1.01 -0.71 -1.62 120.40 116.32 1a5a s VAL 373 Ca 0.27 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 1a5a s VAL 373 Cb -0.09 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1a5a s VAL 373 CO 0.18 0.31 0.02 -0.69 0.00 0.00 0.00 175.10 174.92 1a5a s VAL 374 N 1.79 4.45 -0.53 2.92 1.01 -0.63 0.29 120.40 129.69 1a5a s VAL 374 Ca 0.04 -0.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 1a5a s VAL 374 Cb -0.13 -2.95 0.04 0.00 0.00 0.00 0.00 36.38 33.34 1a5a s VAL 374 CO -0.06 0.51 0.96 0.21 0.00 0.00 0.00 175.10 176.72 1a5a s ASN 375 N -0.02 6.39 -1.25 3.32 2.47 -0.10 -1.26 114.94 124.49 1a5a s ASN 375 Ca 0.04 -0.20 -0.16 0.00 0.42 0.00 0.00 52.86 52.96 1a5a s ASN 375 Cb -0.13 -2.45 0.12 0.00 -1.45 0.00 0.00 41.25 37.35 1a5a s ASN 375 CO 0.02 -1.20 1.58 -0.22 -3.72 0.00 0.00 177.10 173.56 1a5a s LEU 376 N 3.97 4.48 0.55 3.21 1.98 -0.34 -4.75 118.68 127.78 1a5a s LEU 376 Ca 0.33 -2.75 0.35 0.00 -2.89 0.00 0.00 54.13 49.17 1a5a s LEU 376 Cb -0.12 -2.49 1.52 0.00 0.66 0.00 0.00 46.19 45.77 1a5a s LEU 376 CO 0.21 -0.94 1.82 0.77 -1.89 0.00 0.00 176.35 176.32 1a5a h SER 377 N 7.34 0.00 -5.35 3.68 4.64 -1.90 -2.17 113.55 119.79 1a5a h SER 377 Ca 0.38 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.88 1a5a h SER 377 Cb 0.87 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.89 1a5a h SER 377 CO 1.35 0.00 0.50 -0.83 -0.87 0.00 0.00 176.83 176.98 1a5a s GLY 378 N -3.94 -0.18 0.30 -0.77 0.00 -1.26 -1.07 107.32 100.40 1a5a s GLY 378 Ca -0.05 0.06 -0.05 0.00 0.00 0.00 0.00 44.72 44.67 1a5a s GLY 378 CO 0.77 0.31 0.57 1.09 0.00 0.00 0.00 173.10 175.84 1a5a s ARG 379 N -3.09 3.65 -0.21 2.90 1.70 0.12 -1.17 118.95 122.85 1a5a s ARG 379 Ca 0.14 0.05 0.15 0.00 -0.47 0.00 0.00 55.73 55.60 1a5a s ARG 379 Cb -0.01 -2.62 0.67 0.00 -0.57 0.00 0.00 34.95 32.42 1a5a s ARG 379 CO 0.03 0.19 1.58 0.41 -1.08 0.00 0.00 175.30 176.44 1a5a n GLY 380 N -0.95 3.53 0.32 3.88 0.00 -0.06 -3.80 105.19 108.12 1a5a n GLY 380 Ca -0.01 -0.99 0.09 0.00 0.00 0.00 0.00 46.02 45.12 1a5a n GLY 380 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a5a h ASP 381 N 2.88 0.30 0.68 1.61 3.32 -1.87 0.59 116.42 123.93 1a5a h ASP 381 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a5a h ASP 381 Cb 1.71 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.19 1a5a h ASP 381 CO 0.35 0.20 0.00 2.29 -1.72 0.00 0.00 179.24 180.36 1a5a n LYS 382 N -4.48 0.01 0.00 3.56 -0.00 -1.26 -2.41 118.16 113.58 1a5a n LYS 382 Ca 0.05 0.15 0.10 0.00 -0.00 0.00 0.00 58.31 58.62 1a5a n LYS 382 Cb 0.24 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 33.75 1a5a n LYS 382 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1a5a n ASP 383 N -1.49 1.73 0.31 -5.58 8.00 0.20 -4.51 116.55 115.22 1a5a n ASP 383 Ca 0.05 -1.37 0.20 0.00 0.71 0.00 0.00 54.79 54.38 1a5a n ASP 383 Cb 0.23 0.58 1.08 0.00 -0.02 0.00 0.00 41.12 42.99 1a5a n ASP 383 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1a5a h ILE 384 N 1.82 0.00 0.04 0.53 -0.00 -1.13 -1.78 117.51 116.99 1a5a h ILE 384 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 64.86 64.58 1a5a h ILE 384 Cb 0.66 0.88 -0.03 0.00 -0.00 0.00 0.00 36.82 38.33 1a5a h ILE 384 CO 0.00 0.00 -1.51 -0.26 -0.00 0.00 0.00 178.15 176.38 1a5a h PHE 385 N 0.00 0.17 -0.20 0.16 0.04 -1.82 -2.98 116.94 112.31 1a5a h PHE 385 Ca 0.00 -0.12 0.05 0.00 2.80 0.00 0.00 57.97 60.70 1a5a h PHE 385 Cb 0.08 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.15 1a5a h PHE 385 CO 0.00 1.59 -0.37 1.15 -0.60 0.00 0.00 178.31 180.08 1a5a h THR 386 N -0.64 0.20 -0.64 -1.55 2.02 -1.71 0.36 112.91 110.95 1a5a h THR 386 Ca -0.37 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.86 1a5a h THR 386 Cb 1.55 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1a5a h THR 386 CO -0.11 0.00 0.42 0.58 0.37 0.00 0.00 175.52 176.79 1a5a h VAL 387 N -0.41 1.03 -0.44 3.16 2.07 -1.52 -0.53 116.25 119.61 1a5a h VAL 387 Ca 0.10 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1a5a h VAL 387 Cb 0.58 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1a5a h VAL 387 CO -0.43 0.12 -0.05 -0.74 0.02 0.00 0.00 177.57 176.50 1a5a h HIS 388 N 0.68 0.82 0.00 1.57 6.17 -0.30 0.19 115.15 124.28 1a5a h HIS 388 Ca 0.27 -0.13 0.00 0.00 0.71 0.00 0.00 60.37 61.22 1a5a h HIS 388 Cb 0.21 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 29.92 1a5a h HIS 388 CO -0.00 0.79 0.00 -0.44 0.71 0.00 0.00 177.93 178.99 1a5a h ASP 389 N 0.70 0.00 0.20 3.26 3.32 0.11 -2.83 116.42 121.18 1a5a h ASP 389 Ca 0.13 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.83 1a5a h ASP 389 Cb 0.51 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1a5a h ASP 389 CO 0.03 0.00 -1.95 -0.38 -1.72 0.00 0.00 179.24 175.22 1a5a n ILE 390 N -2.71 1.74 -1.62 0.35 2.08 -0.77 -5.11 119.36 113.33 1a5a n ILE 390 Ca 0.02 -0.69 0.00 0.00 0.56 0.00 0.00 62.75 62.65 1a5a n ILE 390 Cb 0.33 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.65 1a5a n ILE 390 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11