#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5b h LEU 4 N 0.00 0.00 -9.08 3.22 3.38 -1.97 -3.47 115.31 107.38 1a5b h LEU 4 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1a5b h LEU 4 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 1a5b h LEU 4 CO 0.00 0.78 -0.71 -0.76 0.09 0.00 0.00 178.44 177.84 1a5b s LEU 5 N -6.03 2.54 -0.07 1.67 1.43 -1.26 -5.10 118.68 111.86 1a5b s LEU 5 Ca -0.03 -1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 51.66 1a5b s LEU 5 Cb 0.08 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 1a5b s LEU 5 CO 0.81 -0.22 1.35 0.21 0.23 0.00 0.00 176.35 178.74 1a5b s ASN 6 N -3.42 6.90 0.15 2.29 3.84 -1.26 -4.89 114.94 118.54 1a5b s ASN 6 Ca 0.27 1.94 0.27 0.00 0.21 0.00 0.00 52.86 55.55 1a5b s ASN 6 Cb 0.01 -2.55 0.93 0.00 -0.55 0.00 0.00 41.25 39.09 1a5b s ASN 6 CO 0.11 -0.73 1.81 -2.65 -2.79 0.00 0.00 177.10 172.85 1a5b n PRO 7 N 5.94 0.18 -4.18 0.43 -0.02 -1.26 -4.87 135.00 131.22 1a5b n PRO 7 Ca 0.13 0.17 -0.30 0.00 -2.02 0.00 0.00 63.50 61.48 1a5b n PRO 7 Cb 0.44 -1.72 -0.09 0.00 -0.02 0.00 0.00 33.50 32.11 1a5b n PRO 7 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1a5b s TYR 8 N -3.08 2.86 -0.50 6.00 2.02 -1.26 -1.16 117.35 122.23 1a5b s TYR 8 Ca 0.11 -0.09 0.03 0.00 -0.37 0.00 0.00 57.07 56.75 1a5b s TYR 8 Cb 0.14 -1.48 0.13 0.00 -0.40 0.00 0.00 41.96 40.35 1a5b s TYR 8 CO 0.57 0.45 0.26 -0.06 -1.57 0.00 0.00 175.55 175.20 1a5b s PHE 9 N -1.26 2.80 0.00 2.71 0.08 0.15 -4.98 117.98 117.48 1a5b s PHE 9 Ca 0.23 -2.94 0.00 0.00 0.12 0.00 0.00 56.93 54.35 1a5b s PHE 9 Cb -0.11 -2.51 0.00 0.00 -0.57 0.00 0.00 43.02 39.83 1a5b s PHE 9 CO 0.16 -0.75 0.00 0.41 -0.10 0.00 0.00 175.22 174.94 1a5b n GLY 10 N 3.22 3.01 0.00 4.36 0.00 -1.26 -1.50 105.19 113.02 1a5b n GLY 10 Ca 0.07 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.96 1a5b n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a5b n GLU 11 N 12.80 0.04 -3.78 1.61 4.71 -1.26 -4.93 120.64 129.83 1a5b n GLU 11 Ca 0.00 -0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.81 1a5b n GLU 11 Cb 0.00 -1.51 -0.05 0.00 -1.01 0.00 0.00 31.44 28.87 1a5b n GLU 11 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1a5b s PHE 12 N -3.02 3.55 0.00 -0.32 0.08 -0.56 -4.89 117.98 112.82 1a5b s PHE 12 Ca 0.09 0.52 0.00 0.00 0.12 0.00 0.00 56.93 57.66 1a5b s PHE 12 Cb 0.17 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.66 1a5b s PHE 12 CO 0.77 0.59 0.00 0.41 -0.10 0.00 0.00 175.22 176.89 1a5b n GLY 13 N 0.86 0.09 4.48 4.36 0.00 -0.43 0.33 105.19 114.88 1a5b n GLY 13 Ca -0.09 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1a5b n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5b n GLY 14 N 0.00 -1.91 2.25 -0.02 0.00 -0.31 -0.62 105.19 104.58 1a5b n GLY 14 Ca 0.00 -1.64 -0.25 0.00 0.00 0.00 0.00 46.02 44.13 1a5b n GLY 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a5b n MET 15 N 0.00 0.56 -2.09 1.61 2.81 -1.25 -1.62 117.12 117.14 1a5b n MET 15 Ca 0.00 -3.20 -0.42 0.00 -1.81 0.00 0.00 57.70 52.27 1a5b n MET 15 Cb 0.00 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 1a5b n MET 15 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1a5b n TYR 16 N 1.83 3.11 -4.37 2.03 4.02 -0.61 -4.93 117.16 118.24 1a5b n TYR 16 Ca 0.24 -2.86 -0.21 0.00 -0.01 0.00 0.00 57.90 55.06 1a5b n TYR 16 Cb 0.52 -2.17 -0.10 0.00 -0.02 0.00 0.00 39.34 37.57 1a5b n TYR 16 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1a5b s VAL 17 N 1.35 1.95 0.55 -0.72 -7.23 -1.26 -3.90 120.40 111.15 1a5b s VAL 17 Ca 0.43 -2.18 -0.21 0.00 -1.81 0.00 0.00 61.98 58.21 1a5b s VAL 17 Cb 0.12 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.95 1a5b s VAL 17 CO -0.03 -0.46 1.22 -2.65 -0.31 0.00 0.00 175.10 172.87 1a5b n PRO 18 N -0.24 1.42 -0.31 4.82 -0.02 -1.26 -4.86 135.00 134.55 1a5b n PRO 18 Ca -0.09 0.53 0.16 0.00 -2.02 0.00 0.00 63.50 62.09 1a5b n PRO 18 Cb 0.59 -2.41 0.35 0.00 -0.02 0.00 0.00 33.50 32.01 1a5b n PRO 18 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1a5b h GLN 19 N 1.16 0.25 -0.89 -0.52 5.75 -1.99 -0.29 115.11 118.57 1a5b h GLN 19 Ca -0.50 -0.01 0.25 0.00 -0.15 0.00 0.00 58.65 58.24 1a5b h GLN 19 Cb 1.32 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.78 1a5b h GLN 19 CO 0.55 0.16 0.63 0.97 -2.65 0.00 0.00 178.83 178.50 1a5b h ILE 20 N 0.25 0.57 -0.00 2.39 6.09 -1.99 -1.18 117.51 123.64 1a5b h ILE 20 Ca 0.61 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 64.08 1a5b h ILE 20 Cb 1.29 0.51 0.00 0.00 0.47 0.00 0.00 36.82 39.08 1a5b h ILE 20 CO -0.64 0.01 -0.42 0.18 -3.07 0.00 0.00 178.15 174.21 1a5b n LEU 21 N -4.31 0.61 -0.29 2.19 4.77 -0.12 -4.28 117.00 115.57 1a5b n LEU 21 Ca 0.19 -0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 56.08 1a5b n LEU 21 Cb 0.92 -0.23 0.08 0.00 -2.33 0.00 0.00 43.42 41.87 1a5b n LEU 21 CO 0.38 0.14 1.20 0.24 -1.33 0.00 0.00 177.39 178.01 1a5b h MET 22 N 0.29 1.01 -0.96 3.23 2.86 -1.27 -2.57 114.93 117.51 1a5b h MET 22 Ca 0.00 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1a5b h MET 22 Cb 0.50 -0.23 -0.06 0.00 0.06 0.00 0.00 31.60 31.87 1a5b h MET 22 CO 0.00 0.67 0.63 -1.35 1.06 0.00 0.00 176.91 177.91 1a5b h PRO 23 N 1.04 1.14 -0.76 -0.22 0.11 -1.76 -0.18 132.00 131.37 1a5b h PRO 23 Ca 0.30 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.29 1a5b h PRO 23 Cb -0.08 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 30.74 1a5b h PRO 23 CO -0.08 0.75 0.28 0.00 -0.21 0.00 0.00 178.00 178.74 1a5b h ALA 24 N 1.46 0.99 -0.32 -0.75 0.00 -1.74 0.02 119.26 118.91 1a5b h ALA 24 Ca 0.39 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1a5b h ALA 24 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1a5b h ALA 24 CO -0.13 0.64 -0.09 -0.07 0.00 0.00 0.00 179.25 179.59 1a5b h LEU 25 N 1.11 0.64 -1.04 0.00 3.38 -1.01 -1.47 115.31 116.92 1a5b h LEU 25 Ca 0.25 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1a5b h LEU 25 Cb 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1a5b h LEU 25 CO -0.02 0.87 -0.47 0.78 0.09 0.00 0.00 178.44 179.69 1a5b h ASN 26 N 0.41 0.02 -0.03 -0.43 2.35 -0.90 -1.01 115.58 115.99 1a5b h ASN 26 Ca 0.08 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1a5b h ASN 26 Cb 0.60 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 1a5b h ASN 26 CO 0.04 0.49 -0.00 -0.61 -1.65 0.00 0.00 177.43 175.69 1a5b h GLN 27 N 0.01 0.05 -0.70 0.81 4.15 -0.83 -2.45 115.11 116.14 1a5b h GLN 27 Ca -0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1a5b h GLN 27 Cb 0.84 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.50 1a5b h GLN 27 CO 0.06 0.37 0.38 1.25 -1.93 0.00 0.00 178.83 178.96 1a5b h LEU 28 N -0.28 0.89 -0.79 -2.39 5.85 -1.08 -1.65 115.31 115.85 1a5b h LEU 28 Ca 0.01 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1a5b h LEU 28 Cb 0.35 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1a5b h LEU 28 CO 0.00 0.73 0.40 -0.08 -0.34 0.00 0.00 178.44 179.16 1a5b h GLU 29 N 0.97 1.13 -0.37 1.25 4.81 -1.20 -0.37 114.58 120.80 1a5b h GLU 29 Ca 0.25 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1a5b h GLU 29 Cb 0.05 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1a5b h GLU 29 CO -0.04 0.86 0.06 1.49 -0.73 0.00 0.00 179.01 180.65 1a5b h GLU 30 N 1.11 0.61 -0.42 1.92 4.22 -1.10 -1.88 114.58 119.05 1a5b h GLU 30 Ca 0.28 -0.16 -0.04 0.00 0.08 0.00 0.00 59.36 59.51 1a5b h GLU 30 Cb 0.09 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1a5b h GLU 30 CO -0.04 0.68 0.09 0.00 -2.18 0.00 0.00 179.01 177.56 1a5b h ALA 31 N 0.91 0.55 -0.47 2.92 0.00 -1.09 -1.90 119.26 120.18 1a5b h ALA 31 Ca 0.11 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1a5b h ALA 31 Cb 0.36 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1a5b h ALA 31 CO 0.01 0.24 0.21 0.35 0.00 0.00 0.00 179.25 180.05 1a5b h PHE 32 N 0.54 0.37 -0.63 0.00 3.57 -0.99 0.18 116.94 119.99 1a5b h PHE 32 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1a5b h PHE 32 Cb 0.33 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1a5b h PHE 32 CO 0.02 0.16 0.40 0.28 -2.23 0.00 0.00 178.31 176.94 1a5b h VAL 33 N 0.41 1.17 0.05 1.41 2.07 -1.14 -0.43 116.25 119.79 1a5b h VAL 33 Ca 0.21 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1a5b h VAL 33 Cb 0.17 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1a5b h VAL 33 CO -0.18 0.17 -0.02 0.03 0.02 0.00 0.00 177.57 177.59 1a5b h ARG 34 N 0.85 -0.06 -0.52 1.57 3.08 -0.67 -2.76 114.38 115.87 1a5b h ARG 34 Ca 0.23 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.38 1a5b h ARG 34 Cb -0.06 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 29.92 1a5b h ARG 34 CO -0.05 0.08 0.02 0.00 -1.07 0.00 0.00 179.97 178.95 1a5b h ALA 35 N 0.76 0.52 0.00 0.04 0.00 -0.36 0.36 119.26 120.57 1a5b h ALA 35 Ca -0.01 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1a5b h ALA 35 Cb 0.17 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1a5b h ALA 35 CO 0.01 -0.38 -0.12 1.96 0.00 0.00 0.00 179.25 180.73 1a5b h GLN 36 N 0.14 0.00 0.00 0.00 1.08 -0.98 -0.90 115.11 114.44 1a5b h GLN 36 Ca 0.27 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.45 1a5b h GLN 36 Cb 0.40 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1a5b h GLN 36 CO -0.43 0.12 -0.47 0.87 -0.95 0.00 0.00 178.83 177.97 1a5b h LYS 37 N 0.00 0.00 -6.24 1.46 1.79 -0.89 -3.45 116.57 109.24 1a5b h LYS 37 Ca -0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 1a5b h LYS 37 Cb 0.21 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.77 1a5b h LYS 37 CO 0.02 0.04 0.67 0.34 -1.08 0.00 0.00 179.45 179.43 1a5b s ASP 38 N -5.88 6.62 0.35 0.86 2.15 -0.02 -4.92 116.67 115.83 1a5b s ASP 38 Ca 0.04 0.41 0.03 0.00 0.43 0.00 0.00 52.55 53.46 1a5b s ASP 38 Cb 0.07 -2.48 0.64 0.00 -0.30 0.00 0.00 42.92 40.85 1a5b s ASP 38 CO 0.73 -1.00 1.96 1.55 -0.17 0.00 0.00 175.17 178.23 1a5b h PRO 39 N 8.82 0.69 -0.33 4.34 0.13 -1.87 -1.81 132.00 141.96 1a5b h PRO 39 Ca -0.23 -0.08 -0.10 0.00 -0.87 0.00 0.00 66.00 64.72 1a5b h PRO 39 Cb 1.07 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 1a5b h PRO 39 CO 1.03 0.54 -0.21 0.93 -0.23 0.00 0.00 178.00 180.05 1a5b h GLU 40 N 0.69 0.63 -0.32 0.86 4.39 -1.92 -0.15 114.58 118.76 1a5b h GLU 40 Ca 0.17 -0.24 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 1a5b h GLU 40 Cb 0.07 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1a5b h GLU 40 CO -0.02 0.80 -0.16 0.35 -1.16 0.00 0.00 179.01 178.82 1a5b h PHE 41 N 0.56 0.78 -0.73 4.33 3.04 -1.63 -2.02 116.94 121.27 1a5b h PHE 41 Ca 0.08 -0.19 -0.04 0.00 3.98 0.00 0.00 57.97 61.80 1a5b h PHE 41 Cb 0.67 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.97 1a5b h PHE 41 CO 0.03 0.89 0.30 1.96 -2.02 0.00 0.00 178.31 179.47 1a5b h GLN 42 N 0.44 1.08 -0.53 1.11 1.08 -1.07 0.51 115.11 117.73 1a5b h GLN 42 Ca 0.07 -0.18 -0.12 0.00 -1.45 0.00 0.00 58.65 56.97 1a5b h GLN 42 Cb 0.69 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 1a5b h GLN 42 CO 0.05 0.87 -0.14 0.00 -0.95 0.00 0.00 178.83 178.66 1a5b h ALA 43 N 1.27 0.74 -0.25 3.87 0.00 -0.94 0.66 119.26 124.61 1a5b h ALA 43 Ca 0.25 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1a5b h ALA 43 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1a5b h ALA 43 CO -0.02 0.68 -0.10 0.37 0.00 0.00 0.00 179.25 180.18 1a5b h GLN 44 N 0.91 0.50 -0.49 0.00 4.15 -0.97 0.38 115.11 119.59 1a5b h GLN 44 Ca 0.13 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1a5b h GLN 44 Cb 0.71 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 1a5b h GLN 44 CO 0.05 0.75 0.28 0.35 -1.93 0.00 0.00 178.83 178.34 1a5b h PHE 45 N 0.23 0.66 -0.49 3.99 3.57 -0.82 -2.21 116.94 121.86 1a5b h PHE 45 Ca 0.06 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1a5b h PHE 45 Cb 0.59 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1a5b h PHE 45 CO 0.06 0.47 0.21 0.00 -2.23 0.00 0.00 178.31 176.82 1a5b h ALA 46 N 1.13 0.63 -0.33 2.41 0.00 -0.71 -1.85 119.26 120.54 1a5b h ALA 46 Ca 0.17 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1a5b h ALA 46 Cb 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1a5b h ALA 46 CO -0.03 0.23 0.12 0.22 0.00 0.00 0.00 179.25 179.78 1a5b h ASP 47 N 0.65 0.13 -0.00 0.00 3.58 -0.71 -0.39 116.42 119.68 1a5b h ASP 47 Ca 0.17 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.66 1a5b h ASP 47 Cb 0.17 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1a5b h ASP 47 CO -0.02 0.11 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.33 1a5b h LEU 48 N 0.26 -0.14 -0.81 2.28 3.38 -1.21 0.22 115.31 119.28 1a5b h LEU 48 Ca 0.15 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1a5b h LEU 48 Cb 0.11 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1a5b h LEU 48 CO -0.15 -0.08 0.51 -0.07 0.09 0.00 0.00 178.44 178.74 1a5b h LEU 49 N -0.09 0.82 0.18 1.67 3.38 -1.04 0.19 115.31 120.43 1a5b h LEU 49 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1a5b h LEU 49 Cb 0.12 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1a5b h LEU 49 CO -0.05 0.55 -0.09 0.50 0.09 0.00 0.00 178.44 179.44 1a5b h LYS 50 N 0.97 -0.24 0.00 1.13 3.64 -0.81 0.25 116.57 121.51 1a5b h LYS 50 Ca 0.33 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1a5b h LYS 50 Cb 0.06 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1a5b h LYS 50 CO -0.13 -0.16 0.00 0.09 -2.27 0.00 0.00 179.45 176.98 1a5b n ASN 51 N -3.47 0.64 -0.06 4.20 3.02 0.74 -2.37 115.26 117.96 1a5b n ASN 51 Ca -0.03 0.57 -0.11 0.00 -0.03 0.00 0.00 54.58 54.98 1a5b n ASN 51 Cb 0.10 -0.74 -0.05 0.00 -0.61 0.00 0.00 39.78 38.49 1a5b n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a5b n TYR 52 N -2.11 0.00 0.04 3.10 9.36 0.55 -4.77 117.16 123.33 1a5b n TYR 52 Ca 0.06 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.26 1a5b n TYR 52 Cb 0.40 -0.42 -0.08 0.00 -0.63 0.00 0.00 39.34 38.61 1a5b n TYR 52 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1a5b h ALA 53 N -0.26 0.66 0.00 2.98 0.00 -1.11 -3.45 119.26 118.08 1a5b h ALA 53 Ca -0.28 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1a5b h ALA 53 Cb 1.31 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1a5b h ALA 53 CO -0.13 0.99 0.00 0.41 0.00 0.00 0.00 179.25 180.52 1a5b n GLY 54 N 1.39 1.55 3.87 0.00 0.00 -0.27 -0.88 105.19 110.85 1a5b n GLY 54 Ca -0.08 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1a5b n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5b s ARG 55 N -0.64 3.79 0.32 1.61 0.52 -0.08 -4.18 118.95 120.29 1a5b s ARG 55 Ca 0.00 0.64 -0.27 0.00 -0.52 0.00 0.00 55.73 55.58 1a5b s ARG 55 Cb 0.00 -2.27 -0.09 0.00 0.52 0.00 0.00 34.95 33.11 1a5b s ARG 55 CO 0.00 -0.19 0.99 -1.25 0.02 0.00 0.00 175.30 174.87 1a5b s PRO 56 N -4.16 4.56 0.56 3.54 0.04 -1.26 -4.32 135.00 133.97 1a5b s PRO 56 Ca 0.54 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.89 1a5b s PRO 56 Cb -0.10 -2.89 -0.06 0.00 0.04 0.00 0.00 34.50 31.49 1a5b s PRO 56 CO 0.35 0.23 1.02 0.95 0.04 0.00 0.00 177.00 179.59 1a5b s THR 57 N -1.48 4.31 0.76 1.26 -4.23 -1.26 -5.03 115.64 109.97 1a5b s THR 57 Ca 0.49 1.03 -0.11 0.00 -1.18 0.00 0.00 61.69 61.92 1a5b s THR 57 Cb -0.23 -3.62 0.05 0.00 1.34 0.00 0.00 72.50 70.04 1a5b s THR 57 CO 0.29 -0.71 1.08 0.00 -0.54 0.00 0.00 174.62 174.74 1a5b s ALA 58 N -2.68 2.39 -0.33 3.99 0.00 -1.26 -4.79 121.76 119.09 1a5b s ALA 58 Ca 0.60 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.56 1a5b s ALA 58 Cb -0.12 -3.16 0.10 0.00 0.00 0.00 0.00 23.12 19.94 1a5b s ALA 58 CO 0.37 -1.55 0.04 -1.17 0.00 0.00 0.00 175.76 173.45 1a5b s LEU 59 N -5.72 4.44 -0.21 0.00 2.96 -1.26 -0.27 118.68 118.62 1a5b s LEU 59 Ca 0.60 -2.04 -0.22 0.00 -0.22 0.00 0.00 54.13 52.25 1a5b s LEU 59 Cb -0.15 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1a5b s LEU 59 CO 0.55 -0.36 0.70 -0.89 -1.32 0.00 0.00 176.35 175.03 1a5b s THR 60 N 0.97 4.96 -0.27 3.68 2.01 0.22 -4.81 115.64 122.40 1a5b s THR 60 Ca 0.09 1.32 -0.29 0.00 0.31 0.00 0.00 61.69 63.12 1a5b s THR 60 Cb -0.19 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.33 1a5b s THR 60 CO -0.09 0.05 1.04 -0.75 -0.69 0.00 0.00 174.62 174.18 1a5b s LYS 61 N 2.25 4.17 -0.63 4.92 2.20 -1.26 -0.06 119.74 131.31 1a5b s LYS 61 Ca 0.31 1.20 -0.16 0.00 -0.36 0.00 0.00 55.97 56.96 1a5b s LYS 61 Cb -0.16 -3.68 0.16 0.00 -1.51 0.00 0.00 37.83 32.63 1a5b s LYS 61 CO 0.10 -0.74 0.60 0.00 -0.36 0.00 0.00 175.35 174.94 1a5b h GLN 63 N 8.57 0.52 -0.78 0.00 4.20 -1.94 -3.35 115.11 122.33 1a5b h GLN 63 Ca -0.17 -0.89 0.06 0.00 0.06 0.00 0.00 58.65 57.70 1a5b h GLN 63 Cb 1.08 0.33 -0.06 0.00 0.30 0.00 0.00 27.48 29.14 1a5b h GLN 63 CO 0.96 1.43 0.47 -0.91 -0.67 0.00 0.00 178.83 180.11 1a5b h ASN 64 N 0.11 0.74 1.05 1.46 2.35 -1.90 -2.32 115.58 117.08 1a5b h ASN 64 Ca -0.26 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.43 1a5b h ASN 64 Cb 2.14 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 40.36 1a5b h ASN 64 CO 0.26 0.48 -0.36 0.16 -1.65 0.00 0.00 177.43 176.32 1a5b h ILE 65 N 0.87 0.77 -0.67 2.81 3.07 -1.84 -3.21 117.51 119.30 1a5b h ILE 65 Ca 0.34 -1.58 0.00 0.00 1.55 0.00 0.00 64.86 65.17 1a5b h ILE 65 Cb 0.15 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1a5b h ILE 65 CO -0.16 0.35 0.00 0.35 -1.05 0.00 0.00 178.15 177.64 1a5b n THR 66 N -3.40 1.04 -1.95 0.16 -2.24 -1.05 -4.97 114.28 101.86 1a5b n THR 66 Ca 0.01 -1.01 -0.42 0.00 -2.27 0.00 0.00 64.05 60.35 1a5b n THR 66 Cb 0.54 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1a5b n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5b s ALA 67 N -1.04 3.76 0.00 6.98 0.00 -0.90 -2.42 121.76 128.14 1a5b s ALA 67 Ca 0.45 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1a5b s ALA 67 Cb 0.24 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1a5b s ALA 67 CO 0.30 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1a5b n GLY 68 N 3.77 0.76 3.33 0.00 0.00 -1.26 -5.05 105.19 106.74 1a5b n GLY 68 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1a5b n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a5b s THR 69 N -2.19 0.60 -1.69 2.61 -4.23 -1.02 -4.97 115.64 104.75 1a5b s THR 69 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 1a5b s THR 69 Cb 0.00 -2.64 0.48 0.00 1.34 0.00 0.00 72.50 71.68 1a5b s THR 69 CO 0.00 0.00 1.38 0.54 -0.54 0.00 0.00 174.62 176.00 1a5b n ARG 70 N -0.50 2.52 -3.38 3.99 3.00 0.33 -4.92 116.66 117.71 1a5b n ARG 70 Ca -0.00 -1.94 -0.38 0.00 -0.01 0.00 0.00 57.85 55.52 1a5b n ARG 70 Cb 0.66 -1.54 -0.06 0.00 0.00 0.00 0.00 32.46 31.53 1a5b n ARG 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1a5b s THR 71 N -1.50 5.14 -0.29 0.55 2.01 -1.25 -2.72 115.64 117.58 1a5b s THR 71 Ca 0.36 0.89 -0.04 0.00 0.31 0.00 0.00 61.69 63.21 1a5b s THR 71 Cb 0.20 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.97 1a5b s THR 71 CO 0.21 0.40 0.02 -0.89 -0.69 0.00 0.00 174.62 173.67 1a5b s THR 72 N 0.12 3.29 -0.14 -0.82 2.01 -0.13 -4.77 115.64 115.20 1a5b s THR 72 Ca 0.24 -1.10 -0.05 0.00 0.31 0.00 0.00 61.69 61.10 1a5b s THR 72 Cb -0.15 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1a5b s THR 72 CO 0.11 0.01 0.03 -0.22 -0.69 0.00 0.00 174.62 173.86 1a5b s LEU 73 N 1.35 3.70 -0.00 4.42 2.96 -1.26 -0.59 118.68 129.26 1a5b s LEU 73 Ca -0.01 0.10 0.06 0.00 -0.22 0.00 0.00 54.13 54.06 1a5b s LEU 73 Cb -0.18 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 1a5b s LEU 73 CO -0.01 0.25 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.77 1a5b s TYR 74 N -0.13 1.74 -0.17 5.38 2.02 -0.13 -0.50 117.35 125.56 1a5b s TYR 74 Ca 0.06 -0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 56.41 1a5b s TYR 74 Cb -0.12 -1.11 -0.01 0.00 -0.40 0.00 0.00 41.96 40.32 1a5b s TYR 74 CO 0.02 -0.01 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.36 1a5b s LEU 75 N -0.59 2.64 -0.35 -1.29 1.43 0.91 -0.88 118.68 120.55 1a5b s LEU 75 Ca 0.07 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 1a5b s LEU 75 Cb -0.08 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1a5b s LEU 75 CO -0.00 0.06 1.17 -0.75 0.23 0.00 0.00 176.35 177.07 1a5b s LYS 76 N 0.95 3.93 -1.28 1.70 2.47 -0.24 -0.61 119.74 126.67 1a5b s LYS 76 Ca -0.02 1.03 -0.15 0.00 -1.56 0.00 0.00 55.97 55.27 1a5b s LYS 76 Cb -0.15 -3.83 -0.03 0.00 -1.46 0.00 0.00 37.83 32.37 1a5b s LYS 76 CO -0.01 -1.09 2.23 0.54 0.16 0.00 0.00 175.35 177.18 1a5b n ARG 77 N 7.25 2.57 0.05 4.03 5.12 0.63 -1.29 116.66 135.03 1a5b n ARG 77 Ca 0.13 -2.30 0.13 0.00 -1.93 0.00 0.00 57.85 53.88 1a5b n ARG 77 Cb 0.47 -3.09 0.50 0.00 -1.16 0.00 0.00 32.46 29.18 1a5b n ARG 77 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1a5b n GLU 78 N 5.93 0.13 0.23 5.56 -0.58 -0.53 -2.33 120.64 129.03 1a5b n GLU 78 Ca 0.54 0.14 0.15 0.00 -0.42 0.00 0.00 57.16 57.57 1a5b n GLU 78 Cb 0.36 -1.66 0.59 0.00 -0.57 0.00 0.00 31.44 30.16 1a5b n GLU 78 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1a5b h ASP 79 N 0.00 0.00 0.10 1.62 2.03 -1.60 -2.68 116.42 115.88 1a5b h ASP 79 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1a5b h ASP 79 Cb 0.58 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.08 1a5b h ASP 79 CO 0.00 0.00 -0.14 0.18 -1.03 0.00 0.00 179.24 178.25 1a5b n LEU 80 N -2.84 1.35 -4.78 0.15 4.77 -0.99 -4.36 117.00 110.30 1a5b n LEU 80 Ca 0.01 -0.42 -0.36 0.00 -0.03 0.00 0.00 56.01 55.22 1a5b n LEU 80 Cb 0.31 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1a5b n LEU 80 CO 0.26 0.24 0.76 -0.22 -1.33 0.00 0.00 177.39 177.10 1a5b s LEU 81 N -2.25 3.97 -0.08 2.23 2.96 -1.01 -4.90 118.68 119.60 1a5b s LEU 81 Ca 0.31 2.10 -0.35 0.00 -0.22 0.00 0.00 54.13 55.97 1a5b s LEU 81 Cb 0.20 -4.36 -0.13 0.00 0.50 0.00 0.00 46.19 42.40 1a5b s LEU 81 CO 0.43 -0.80 1.80 1.57 -1.32 0.00 0.00 176.35 178.03 1a5b n HIS 82 N -0.61 2.25 0.00 5.38 -0.00 -0.06 0.07 115.22 122.25 1a5b n HIS 82 Ca 0.08 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.94 1a5b n HIS 82 Cb 0.50 -2.60 0.00 0.00 -0.00 0.00 0.00 29.99 27.89 1a5b n HIS 82 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1a5b n GLY 83 N 4.16 2.40 1.97 1.57 0.00 -1.26 -4.57 105.19 109.46 1a5b n GLY 83 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1a5b n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5b n GLY 84 N -1.17 0.51 3.33 -0.02 0.00 0.11 -5.00 105.19 102.95 1a5b n GLY 84 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1a5b n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5b s ALA 85 N -2.00 -1.06 0.65 4.61 0.00 -1.24 -1.02 121.76 121.69 1a5b s ALA 85 Ca 0.00 0.41 0.38 0.00 0.00 0.00 0.00 51.96 52.75 1a5b s ALA 85 Cb 0.00 0.29 2.12 0.00 0.00 0.00 0.00 23.12 25.53 1a5b s ALA 85 CO 0.00 -0.43 2.25 1.12 0.00 0.00 0.00 175.76 178.70 1a5b h HIS 86 N 3.10 0.00 -1.06 0.00 -0.00 -1.12 -3.23 115.15 112.84 1a5b h HIS 86 Ca -0.31 0.00 0.35 0.00 -0.00 0.00 0.00 60.37 60.42 1a5b h HIS 86 Cb 1.20 0.00 -0.15 0.00 -0.00 0.00 0.00 27.41 28.46 1a5b h HIS 86 CO 0.42 0.00 0.62 0.87 -0.00 0.00 0.00 177.93 179.84 1a5b h LYS 87 N 0.00 0.24 -0.91 5.12 1.57 -1.94 -2.43 116.57 118.21 1a5b h LYS 87 Ca 0.01 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 1a5b h LYS 87 Cb 0.17 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.34 1a5b h LYS 87 CO -0.00 0.16 0.53 1.15 -0.57 0.00 0.00 179.45 180.71 1a5b h THR 88 N 0.24 0.83 0.09 -0.16 2.02 -1.84 -2.67 112.91 111.42 1a5b h THR 88 Ca 0.76 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 67.68 1a5b h THR 88 Cb 1.90 -0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 1a5b h THR 88 CO -0.57 0.15 -0.52 0.78 0.37 0.00 0.00 175.52 175.72 1a5b h ASN 89 N 0.80 -1.57 1.00 4.18 2.35 -1.73 -0.45 115.58 120.16 1a5b h ASN 89 Ca 0.47 0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 56.33 1a5b h ASN 89 Cb 0.57 0.59 -0.01 0.00 0.05 0.00 0.00 38.32 39.52 1a5b h ASN 89 CO -0.31 -0.54 -0.32 0.06 -1.65 0.00 0.00 177.43 174.67 1a5b h GLN 90 N -0.72 0.00 -0.08 0.81 -0.00 -1.54 -2.44 115.11 111.13 1a5b h GLN 90 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.49 1a5b h GLN 90 Cb 0.75 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.22 1a5b h GLN 90 CO -0.30 0.32 -0.67 0.28 -0.00 0.00 0.00 178.83 178.46 1a5b h VAL 91 N 0.00 1.38 -0.21 1.86 2.07 -1.16 -0.60 116.25 119.60 1a5b h VAL 91 Ca -0.00 -2.07 -0.09 0.00 0.82 0.00 0.00 66.70 65.36 1a5b h VAL 91 Cb 0.91 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1a5b h VAL 91 CO 0.04 0.62 -0.21 -0.07 0.02 0.00 0.00 177.57 177.97 1a5b h LEU 92 N 0.24 0.56 -0.27 2.57 3.38 -0.91 -1.96 115.31 118.92 1a5b h LEU 92 Ca -0.02 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1a5b h LEU 92 Cb 1.21 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1a5b h LEU 92 CO 0.11 0.92 0.16 1.23 0.09 0.00 0.00 178.44 180.95 1a5b h GLY 93 N 0.20 0.39 1.50 0.83 0.00 -1.35 -1.74 103.07 102.90 1a5b h GLY 93 Ca 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1a5b h GLY 93 CO 0.05 0.16 0.13 1.46 0.00 0.00 0.00 176.54 178.33 1a5b h GLN 94 N 0.34 0.64 -0.43 4.80 4.20 -1.11 -1.64 115.11 121.91 1a5b h GLN 94 Ca 0.10 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1a5b h GLN 94 Cb 0.01 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1a5b h GLN 94 CO -0.02 0.57 0.06 0.00 -0.67 0.00 0.00 178.83 178.78 1a5b h ALA 95 N 1.51 0.57 -0.27 3.87 0.00 -1.02 -0.29 119.26 123.64 1a5b h ALA 95 Ca 0.15 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1a5b h ALA 95 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1a5b h ALA 95 CO -0.01 0.30 -0.08 -0.07 0.00 0.00 0.00 179.25 179.39 1a5b h LEU 96 N 0.57 0.40 -0.45 0.00 3.38 -0.98 -2.23 115.31 116.01 1a5b h LEU 96 Ca 0.13 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1a5b h LEU 96 Cb 0.39 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1a5b h LEU 96 CO 0.01 0.53 -0.00 0.25 0.09 0.00 0.00 178.44 179.32 1a5b h LEU 97 N 0.40 0.78 -0.80 1.67 5.85 -0.89 0.73 115.31 123.05 1a5b h LEU 97 Ca 0.08 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1a5b h LEU 97 Cb 0.39 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1a5b h LEU 97 CO 0.02 0.90 0.37 0.00 -0.34 0.00 0.00 178.44 179.39 1a5b h ALA 98 N 0.91 1.03 -0.50 1.25 0.00 -0.75 -1.51 119.26 119.68 1a5b h ALA 98 Ca 0.13 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1a5b h ALA 98 Cb 0.50 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1a5b h ALA 98 CO 0.02 0.60 -0.03 0.87 0.00 0.00 0.00 179.25 180.72 1a5b h LYS 99 N 1.13 0.87 -0.80 0.00 1.57 -1.10 0.03 116.57 118.28 1a5b h LYS 99 Ca 0.27 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1a5b h LYS 99 Cb 0.14 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1a5b h LYS 99 CO -0.03 0.89 0.52 -0.09 -0.57 0.00 0.00 179.45 180.16 1a5b h ARG 100 N 0.80 1.06 -0.07 3.15 2.43 -0.20 -0.48 114.38 121.06 1a5b h ARG 100 Ca 0.15 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1a5b h ARG 100 Cb 0.52 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1a5b h ARG 100 CO 0.03 0.71 0.00 -1.33 -1.51 0.00 0.00 179.97 177.86 1a5b n MET 101 N -4.41 1.17 -1.30 0.20 2.81 -0.63 -4.87 117.12 110.09 1a5b n MET 101 Ca 0.09 -0.26 -0.10 0.00 -1.81 0.00 0.00 57.70 55.61 1a5b n MET 101 Cb 0.03 -1.06 -0.04 0.00 -0.71 0.00 0.00 33.22 31.44 1a5b n MET 101 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a5b n GLY 102 N 0.62 1.15 3.86 3.03 0.00 -0.19 -5.00 105.19 108.66 1a5b n GLY 102 Ca 0.03 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1a5b n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5b s LYS 103 N -2.75 3.89 -0.00 1.61 1.02 -0.07 -4.95 119.74 118.48 1a5b s LYS 103 Ca 0.00 0.57 0.03 0.00 0.02 0.00 0.00 55.97 56.59 1a5b s LYS 103 Cb 0.00 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.86 1a5b s LYS 103 CO 0.00 0.06 0.09 -1.13 -0.92 0.00 0.00 175.35 173.45 1a5b n SER 104 N -0.83 2.64 -4.64 2.83 3.41 -0.65 -4.30 113.62 112.08 1a5b n SER 104 Ca 0.03 -0.23 -0.25 0.00 -0.26 0.00 0.00 58.87 58.16 1a5b n SER 104 Cb 0.54 1.09 -0.08 0.00 -0.26 0.00 0.00 64.21 65.50 1a5b n SER 104 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1a5b s GLU 105 N -1.85 2.30 -0.04 4.33 8.01 -0.93 -0.51 118.70 130.01 1a5b s GLU 105 Ca -0.00 -1.27 0.02 0.00 0.01 0.00 0.00 54.97 53.73 1a5b s GLU 105 Cb 0.02 -2.24 0.01 0.00 -4.31 0.00 0.00 34.13 27.61 1a5b s GLU 105 CO 0.13 0.41 -0.07 0.42 0.01 0.00 0.00 175.26 176.16 1a5b s ILE 106 N -1.99 0.70 -0.07 -1.63 -1.09 0.93 -1.65 121.20 116.40 1a5b s ILE 106 Ca 0.29 -0.27 0.04 0.00 -2.23 0.00 0.00 60.65 58.47 1a5b s ILE 106 Cb -0.08 -0.66 -0.02 0.00 -1.58 0.00 0.00 42.46 40.12 1a5b s ILE 106 CO 0.19 0.24 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.32 1a5b s ILE 107 N 0.51 2.61 0.20 2.92 1.01 0.31 -1.43 121.20 127.33 1a5b s ILE 107 Ca -0.08 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 1a5b s ILE 107 Cb -0.12 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.34 1a5b s ILE 107 CO 0.01 0.57 0.40 0.00 0.00 0.00 0.00 174.94 175.92 1a5b s ALA 108 N -0.20 -0.27 0.04 9.38 0.00 -0.93 0.33 121.76 130.11 1a5b s ALA 108 Ca -0.01 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1a5b s ALA 108 Cb -0.13 0.94 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 1a5b s ALA 108 CO 0.03 -0.75 -0.05 -1.83 0.00 0.00 0.00 175.76 173.16 1a5b s GLU 109 N -3.97 0.47 0.06 0.00 4.04 -1.26 -0.06 118.70 117.99 1a5b s GLU 109 Ca 0.18 -0.80 -0.03 0.00 0.04 0.00 0.00 54.97 54.35 1a5b s GLU 109 Cb 0.01 -0.06 -0.03 0.00 0.02 0.00 0.00 34.13 34.07 1a5b s GLU 109 CO 0.03 -0.02 0.04 0.99 -1.84 0.00 0.00 175.26 174.46 1a5b s THR 110 N -1.89 0.20 0.00 1.83 2.01 -0.55 -4.57 115.64 112.66 1a5b s THR 110 Ca -0.09 -1.61 0.00 0.00 0.31 0.00 0.00 61.69 60.30 1a5b s THR 110 Cb -0.07 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 70.99 1a5b s THR 110 CO -0.02 -0.89 0.00 0.61 -0.69 0.00 0.00 174.62 173.63 1a5b n GLY 111 N 0.08 0.12 0.11 4.40 0.00 -1.26 -4.46 105.19 104.17 1a5b n GLY 111 Ca -0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.96 1a5b n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5b n ALA 112 N -1.21 1.19 0.00 4.61 0.00 -1.26 -4.84 120.51 119.00 1a5b n ALA 112 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1a5b n ALA 112 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1a5b n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5b n GLY 113 N -1.02 2.83 0.34 0.00 0.00 -1.26 -4.89 105.19 101.19 1a5b n GLY 113 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1a5b n GLY 113 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1a5b h GLN 114 N 0.19 1.05 -0.25 1.61 5.75 -1.97 -1.11 115.11 120.38 1a5b h GLN 114 Ca 0.00 -0.06 -0.16 0.00 -0.15 0.00 0.00 58.65 58.28 1a5b h GLN 114 Cb 0.00 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.31 1a5b h GLN 114 CO 0.00 0.70 -0.49 1.25 -2.65 0.00 0.00 178.83 177.64 1a5b h HIS 115 N 1.09 0.84 -0.38 3.99 2.76 -1.91 -1.22 115.15 120.31 1a5b h HIS 115 Ca 0.39 -0.28 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1a5b h HIS 115 Cb 0.13 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 1a5b h HIS 115 CO -0.02 1.03 0.15 0.78 -1.30 0.00 0.00 177.93 178.58 1a5b h GLY 116 N 0.95 0.62 1.05 5.26 0.00 -1.66 0.13 103.07 109.41 1a5b h GLY 116 Ca 0.03 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1a5b h GLY 116 CO 0.10 0.32 0.28 -2.08 0.00 0.00 0.00 176.54 175.16 1a5b h VAL 117 N 0.47 1.26 -0.52 4.60 2.07 -1.17 -0.88 116.25 122.08 1a5b h VAL 117 Ca 0.13 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 1a5b h VAL 117 Cb 0.19 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1a5b h VAL 117 CO -0.01 0.35 0.07 0.00 0.02 0.00 0.00 177.57 178.00 1a5b h ALA 118 N 1.15 0.69 -0.70 1.67 0.00 -0.90 -0.16 119.26 121.01 1a5b h ALA 118 Ca 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1a5b h ALA 118 Cb 0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1a5b h ALA 118 CO -0.02 0.44 0.36 0.77 0.00 0.00 0.00 179.25 180.80 1a5b h SER 119 N 0.75 0.90 -0.76 0.00 0.02 -0.70 -2.34 113.55 111.41 1a5b h SER 119 Ca 0.16 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1a5b h SER 119 Cb 0.42 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1a5b h SER 119 CO 0.01 0.76 0.33 0.00 -1.14 0.00 0.00 176.83 176.79 1a5b h ALA 120 N 1.17 0.99 -0.30 3.77 0.00 -0.75 -1.19 119.26 122.95 1a5b h ALA 120 Ca 0.24 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1a5b h ALA 120 Cb 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1a5b h ALA 120 CO -0.03 0.59 -0.37 1.37 0.00 0.00 0.00 179.25 180.80 1a5b h LEU 121 N 1.09 0.85 -0.23 0.00 8.10 -0.79 -1.66 115.31 122.68 1a5b h LEU 121 Ca 0.26 -0.49 -0.03 0.00 0.11 0.00 0.00 57.88 57.72 1a5b h LEU 121 Cb 0.18 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 40.15 1a5b h LEU 121 CO -0.03 1.17 0.02 0.00 -4.11 0.00 0.00 178.44 175.50 1a5b h ALA 122 N 0.70 0.31 -0.18 0.17 0.00 -1.35 -1.44 119.26 117.47 1a5b h ALA 122 Ca 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1a5b h ALA 122 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1a5b h ALA 122 CO 0.09 -0.00 0.11 0.77 0.00 0.00 0.00 179.25 180.22 1a5b h SER 123 N 0.18 0.22 -0.38 0.00 0.02 -1.24 -0.73 113.55 111.63 1a5b h SER 123 Ca 0.07 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1a5b h SER 123 Cb 0.35 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1a5b h SER 123 CO 0.01 0.20 0.17 0.00 -1.14 0.00 0.00 176.83 176.07 1a5b h ALA 124 N 1.02 0.46 -0.86 3.77 0.00 -1.27 0.11 119.26 122.49 1a5b h ALA 124 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1a5b h ALA 124 Cb 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1a5b h ALA 124 CO -0.01 -0.21 0.49 1.25 0.00 0.00 0.00 179.25 180.77 1a5b h LEU 125 N 0.35 1.06 -3.13 0.00 5.85 -1.05 -3.14 115.31 115.26 1a5b h LEU 125 Ca 0.16 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1a5b h LEU 125 Cb 0.10 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1a5b h LEU 125 CO -0.13 0.84 0.00 0.18 -0.34 0.00 0.00 178.44 178.99 1a5b n LEU 126 N -4.38 4.85 -2.65 2.25 4.77 -0.30 -4.96 117.00 116.57 1a5b n LEU 126 Ca 0.09 -2.45 -0.17 0.00 -0.03 0.00 0.00 56.01 53.45 1a5b n LEU 126 Cb 0.08 -0.59 0.05 0.00 -2.33 0.00 0.00 43.42 40.63 1a5b n LEU 126 CO 0.38 0.80 0.15 0.61 -1.33 0.00 0.00 177.39 178.00 1a5b n GLY 127 N 1.13 -0.13 3.62 -0.72 0.00 -0.34 -5.02 105.19 103.73 1a5b n GLY 127 Ca 0.26 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 1a5b n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5b s LEU 128 N -5.45 3.31 -0.20 0.99 1.43 0.24 -5.00 118.68 114.00 1a5b s LEU 128 Ca 0.39 -0.00 -0.28 0.00 -1.03 0.00 0.00 54.13 53.21 1a5b s LEU 128 Cb -0.17 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1a5b s LEU 128 CO 0.49 0.34 0.97 -0.54 0.23 0.00 0.00 176.35 177.84 1a5b s LYS 129 N -1.04 4.28 -0.13 1.70 3.01 0.33 -4.36 119.74 123.53 1a5b s LYS 129 Ca 0.14 1.25 0.02 0.00 -1.01 0.00 0.00 55.97 56.38 1a5b s LYS 129 Cb -0.11 -3.62 -0.00 0.00 -1.01 0.00 0.00 37.83 33.09 1a5b s LYS 129 CO 0.04 -0.52 -0.19 0.00 0.51 0.00 0.00 175.35 175.19 1a5b s ARG 131 N 0.61 3.03 -0.15 0.00 1.70 -0.52 -0.58 118.95 123.03 1a5b s ARG 131 Ca -0.10 -0.86 -0.01 0.00 -0.47 0.00 0.00 55.73 54.29 1a5b s ARG 131 Cb -0.16 -2.41 -0.01 0.00 -0.57 0.00 0.00 34.95 31.80 1a5b s ARG 131 CO 0.03 0.03 -0.12 0.42 -1.08 0.00 0.00 175.30 174.58 1a5b s ILE 132 N 0.72 3.02 0.05 4.99 1.01 0.19 -2.18 121.20 128.99 1a5b s ILE 132 Ca -0.09 -0.65 -0.19 0.00 0.00 0.00 0.00 60.65 59.71 1a5b s ILE 132 Cb -0.16 -2.29 -0.06 0.00 0.01 0.00 0.00 42.46 39.95 1a5b s ILE 132 CO 0.00 0.50 0.56 -0.31 0.00 0.00 0.00 174.94 175.69 1a5b s TYR 133 N 0.70 3.78 -0.16 3.97 2.02 0.92 0.58 117.35 129.15 1a5b s TYR 133 Ca -0.06 1.23 -0.15 0.00 -0.37 0.00 0.00 57.07 57.72 1a5b s TYR 133 Cb -0.15 -2.50 0.04 0.00 -0.40 0.00 0.00 41.96 38.95 1a5b s TYR 133 CO 0.02 0.55 0.44 1.41 -1.57 0.00 0.00 175.55 176.40 1a5b s MET 134 N -0.93 0.52 0.08 -0.62 1.75 -1.00 -1.48 119.30 117.62 1a5b s MET 134 Ca 0.29 0.58 -0.23 0.00 -1.25 0.00 0.00 55.69 55.07 1a5b s MET 134 Cb -0.19 0.25 -0.07 0.00 2.84 0.00 0.00 34.83 37.67 1a5b s MET 134 CO 0.18 -0.07 0.71 0.20 -0.65 0.00 0.00 175.02 175.39 1a5b s GLY 135 N 0.16 2.79 0.19 2.11 0.00 -1.26 -0.92 107.32 110.39 1a5b s GLY 135 Ca -0.01 0.22 -0.20 0.00 0.00 0.00 0.00 44.72 44.73 1a5b s GLY 135 CO 0.01 0.84 1.42 0.00 0.00 0.00 0.00 173.10 175.37 1a5b n ALA 136 N 2.17 -0.27 -0.31 3.20 0.00 -0.65 -0.09 120.51 124.56 1a5b n ALA 136 Ca -0.06 0.87 0.06 0.00 0.00 0.00 0.00 53.44 54.31 1a5b n ALA 136 Cb 0.50 -0.31 0.21 0.00 0.00 0.00 0.00 19.45 19.84 1a5b n ALA 136 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1a5b h LYS 137 N 0.00 0.73 -0.11 0.00 3.64 -1.89 -1.41 116.57 117.54 1a5b h LYS 137 Ca 0.26 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.42 1a5b h LYS 137 Cb 0.49 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1a5b h LYS 137 CO -0.89 0.48 -0.69 0.22 -2.27 0.00 0.00 179.45 176.30 1a5b h ASP 138 N 0.75 0.55 0.38 4.20 3.58 -0.60 -3.31 116.42 121.97 1a5b h ASP 138 Ca 0.44 -0.34 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 1a5b h ASP 138 Cb 0.52 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1a5b h ASP 138 CO -0.30 1.08 -0.21 0.58 -2.88 0.00 0.00 179.24 177.51 1a5b h VAL 139 N 0.33 0.00 -1.18 2.25 2.07 0.37 -2.16 116.25 117.93 1a5b h VAL 139 Ca -0.02 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.89 1a5b h VAL 139 Cb 1.26 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.89 1a5b h VAL 139 CO 0.12 0.00 0.73 1.05 0.02 0.00 0.00 177.57 179.49 1a5b h GLU 140 N -0.55 0.15 -0.11 1.57 4.11 -1.60 0.46 114.58 118.60 1a5b h GLU 140 Ca -0.05 -0.01 -0.16 0.00 0.07 0.00 0.00 59.36 59.21 1a5b h GLU 140 Cb 0.43 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1a5b h GLU 140 CO 0.06 0.10 -0.55 0.00 0.07 0.00 0.00 179.01 178.69 1a5b h ARG 141 N 0.15 0.57 -1.05 1.06 3.08 -1.62 -3.28 114.38 113.29 1a5b h ARG 141 Ca 0.79 -0.46 -0.45 0.00 0.07 0.00 0.00 59.98 59.93 1a5b h ARG 141 Cb 2.25 0.09 -0.24 0.00 0.08 0.00 0.00 29.97 32.15 1a5b h ARG 141 CO -0.50 1.09 0.57 1.04 -1.07 0.00 0.00 179.97 181.10 1a5b n GLN 142 N -4.18 2.08 -0.32 0.04 1.13 0.15 -4.72 117.38 111.56 1a5b n GLN 142 Ca -0.08 -2.45 0.20 0.00 -1.94 0.00 0.00 57.00 52.73 1a5b n GLN 142 Cb 0.62 -1.96 0.41 0.00 0.11 0.00 0.00 30.24 29.42 1a5b n GLN 142 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1a5b h SER 143 N 1.05 0.35 -0.31 1.08 0.02 -1.41 -0.98 113.55 113.35 1a5b h SER 143 Ca 0.50 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.64 1a5b h SER 143 Cb 2.08 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 64.78 1a5b h SER 143 CO 0.98 -0.14 0.17 1.55 -1.14 0.00 0.00 176.83 178.25 1a5b h PRO 144 N 0.29 0.43 -0.07 3.45 0.13 -1.90 -1.81 132.00 132.52 1a5b h PRO 144 Ca 0.67 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.68 1a5b h PRO 144 Cb 1.47 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 1a5b h PRO 144 CO -0.62 0.37 -0.27 -0.91 -0.23 0.00 0.00 178.00 176.33 1a5b h ASN 145 N 0.37 0.11 -0.29 1.44 4.21 -1.61 -1.38 115.58 118.43 1a5b h ASN 145 Ca 0.11 -0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.57 1a5b h ASN 145 Cb 0.07 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.22 1a5b h ASN 145 CO -0.02 0.39 0.14 0.58 -1.29 0.00 0.00 177.43 177.24 1a5b h VAL 146 N 0.11 1.16 -0.53 2.81 2.07 -0.82 -0.91 116.25 120.13 1a5b h VAL 146 Ca 0.02 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1a5b h VAL 146 Cb 0.55 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1a5b h VAL 146 CO 0.04 0.16 0.20 0.15 0.02 0.00 0.00 177.57 178.14 1a5b h PHE 147 N 0.34 0.82 -0.63 1.57 3.57 -0.87 -2.09 116.94 119.65 1a5b h PHE 147 Ca 0.10 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1a5b h PHE 147 Cb 0.13 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.56 1a5b h PHE 147 CO -0.02 0.68 0.33 0.00 -2.23 0.00 0.00 178.31 177.07 1a5b h ARG 148 N 0.72 0.58 -0.48 1.11 3.08 -0.96 0.58 114.38 119.02 1a5b h ARG 148 Ca 0.18 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1a5b h ARG 148 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1a5b h ARG 148 CO -0.01 0.38 0.24 0.52 -1.07 0.00 0.00 179.97 180.03 1a5b h MET 149 N 0.60 0.68 -0.36 0.04 2.86 -0.85 -2.12 114.93 115.77 1a5b h MET 149 Ca 0.29 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1a5b h MET 149 Cb 0.23 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1a5b h MET 149 CO -0.21 0.57 0.15 0.00 1.06 0.00 0.00 176.91 178.48 1a5b h ARG 150 N 0.63 0.54 -0.83 1.72 2.47 -0.69 -1.01 114.38 117.21 1a5b h ARG 150 Ca 0.17 -0.09 0.13 0.00 -1.26 0.00 0.00 59.98 58.92 1a5b h ARG 150 Cb 0.10 -0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.27 1a5b h ARG 150 CO -0.02 0.52 0.54 -0.07 0.56 0.00 0.00 179.97 181.50 1a5b h LEU 151 N 0.44 0.59 -0.74 3.04 3.38 -0.71 0.18 115.31 121.50 1a5b h LEU 151 Ca 0.12 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1a5b h LEU 151 Cb 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1a5b h LEU 151 CO -0.01 0.32 0.00 0.23 0.09 0.00 0.00 178.44 179.06 1a5b n MET 152 N -4.53 1.39 -0.66 1.13 2.81 -0.82 -4.87 117.12 111.57 1a5b n MET 152 Ca 0.16 -0.46 0.00 0.00 -1.81 0.00 0.00 57.70 55.59 1a5b n MET 152 Cb 0.45 -1.25 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 1a5b n MET 152 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a5b n GLY 153 N 0.51 1.66 3.77 3.03 0.00 0.64 -4.51 105.19 110.30 1a5b n GLY 153 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1a5b n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5b s ALA 154 N -3.65 3.16 -0.57 4.61 0.00 -0.43 -4.78 121.76 120.10 1a5b s ALA 154 Ca 0.00 1.09 -0.18 0.00 0.00 0.00 0.00 51.96 52.87 1a5b s ALA 154 Cb 0.00 -3.43 0.10 0.00 0.00 0.00 0.00 23.12 19.79 1a5b s ALA 154 CO 0.00 -0.70 0.66 -2.00 0.00 0.00 0.00 175.76 173.71 1a5b s GLU 155 N -2.33 3.04 -0.57 0.00 2.12 0.25 -4.12 118.70 117.08 1a5b s GLU 155 Ca 0.58 -1.34 -0.25 0.00 0.36 0.00 0.00 54.97 54.32 1a5b s GLU 155 Cb -0.34 -4.25 0.04 0.00 0.26 0.00 0.00 34.13 29.84 1a5b s GLU 155 CO 0.43 -1.46 1.03 0.08 -0.54 0.00 0.00 175.26 174.80 1a5b s VAL 156 N 2.48 4.25 -0.38 3.70 1.01 -1.26 0.53 120.40 130.73 1a5b s VAL 156 Ca 0.10 0.43 -0.23 0.00 0.00 0.00 0.00 61.98 62.28 1a5b s VAL 156 Cb -0.25 -4.62 0.01 0.00 0.00 0.00 0.00 36.38 31.53 1a5b s VAL 156 CO 0.06 -1.23 0.79 -0.63 0.00 0.00 0.00 175.10 174.10 1a5b s ILE 157 N 4.33 4.70 -0.46 2.22 1.01 0.19 -4.94 121.20 128.25 1a5b s ILE 157 Ca 0.34 0.82 -0.28 0.00 0.00 0.00 0.00 60.65 61.52 1a5b s ILE 157 Cb -0.11 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.12 1a5b s ILE 157 CO 0.20 -0.50 1.49 -2.16 0.00 0.00 0.00 174.94 173.98 1a5b s PRO 158 N 3.17 3.40 -0.17 2.79 0.04 -1.26 -2.37 135.00 140.59 1a5b s PRO 158 Ca 0.32 0.83 -0.07 0.00 0.04 0.00 0.00 61.00 62.11 1a5b s PRO 158 Cb -0.13 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.27 1a5b s PRO 158 CO 0.18 -1.79 0.07 0.08 0.04 0.00 0.00 177.00 175.57 1a5b s VAL 159 N 6.05 4.83 -0.29 -0.36 1.01 -0.09 -4.95 120.40 126.60 1a5b s VAL 159 Ca 0.61 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.60 1a5b s VAL 159 Cb -0.14 -3.17 0.18 0.00 0.00 0.00 0.00 36.38 33.26 1a5b s VAL 159 CO 0.30 0.48 0.51 -1.38 0.00 0.00 0.00 175.10 175.00 1a5b s HIS 160 N 0.21 -1.44 -0.45 5.22 -3.43 -1.26 -1.64 115.29 112.50 1a5b s HIS 160 Ca 0.04 0.82 0.07 0.00 -0.80 0.00 0.00 55.06 55.20 1a5b s HIS 160 Cb -0.12 0.13 0.25 0.00 -1.43 0.00 0.00 32.58 31.41 1a5b s HIS 160 CO 0.00 -1.01 0.74 0.43 -2.00 0.00 0.00 174.74 172.91 1a5b n SER 161 N 5.39 -1.58 0.00 7.38 7.64 -1.26 -4.99 113.62 126.20 1a5b n SER 161 Ca 0.02 -3.07 0.00 0.00 1.01 0.00 0.00 58.87 56.84 1a5b n SER 161 Cb 0.52 0.80 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 1a5b n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a5b n GLY 162 N 1.49 1.79 3.71 0.23 0.00 -1.26 -4.82 105.19 106.33 1a5b n GLY 162 Ca 0.14 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1a5b n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5b s SER 163 N -0.15 7.13 -0.38 1.61 0.01 -1.26 -4.95 113.70 115.71 1a5b s SER 163 Ca 0.00 1.93 0.11 0.00 1.31 0.00 0.00 55.95 59.30 1a5b s SER 163 Cb 0.00 -2.57 0.39 0.00 0.21 0.00 0.00 66.02 64.04 1a5b s SER 163 CO 0.00 -0.44 1.10 0.00 0.41 0.00 0.00 173.24 174.31 1a5b n ALA 164 N 4.05 1.56 -2.37 1.44 0.00 -1.26 -4.59 120.51 119.33 1a5b n ALA 164 Ca 0.09 -2.17 -0.21 0.00 0.00 0.00 0.00 53.44 51.14 1a5b n ALA 164 Cb 0.47 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 1a5b n ALA 164 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1a5b s THR 165 N -1.13 0.24 0.00 0.00 -4.23 -1.26 -3.80 115.64 105.47 1a5b s THR 165 Ca 0.26 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.76 1a5b s THR 165 Cb 0.39 -2.44 -0.00 0.00 1.34 0.00 0.00 72.50 71.79 1a5b s THR 165 CO -0.04 0.00 1.02 0.25 -0.54 0.00 0.00 174.62 175.31 1a5b h LEU 166 N 2.03 -0.06 -2.09 4.79 5.85 -1.98 0.91 115.31 124.76 1a5b h LEU 166 Ca -0.30 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.52 1a5b h LEU 166 Cb 1.25 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1a5b h LEU 166 CO 0.46 -0.02 0.25 0.07 -0.34 0.00 0.00 178.44 178.86 1a5b h LYS 167 N -0.02 0.00 0.00 1.25 2.10 -1.97 0.11 116.57 118.05 1a5b h LYS 167 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 1a5b h LYS 167 Cb 0.02 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.33 1a5b h LYS 167 CO -0.02 0.00 -0.72 -0.44 -2.00 0.00 0.00 179.45 176.27 1a5b h ASP 168 N 0.00 0.00 1.07 7.07 3.32 -1.71 -3.27 116.42 122.90 1a5b h ASP 168 Ca 0.14 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1a5b h ASP 168 Cb 0.64 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 1a5b h ASP 168 CO -0.00 0.56 -0.95 0.00 -1.72 0.00 0.00 179.24 177.14 1a5b h ALA 169 N 1.44 0.58 -0.77 3.45 0.00 0.32 -3.34 119.26 120.93 1a5b h ALA 169 Ca -0.03 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1a5b h ALA 169 Cb 1.46 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 1a5b h ALA 169 CO 0.07 0.15 0.51 0.00 0.00 0.00 0.00 179.25 179.97 1a5b h ASN 171 N 0.97 0.13 0.52 0.00 2.35 -1.70 0.15 115.58 117.99 1a5b h ASN 171 Ca 0.30 0.10 -0.15 0.00 -0.55 0.00 0.00 56.30 56.00 1a5b h ASN 171 Cb -0.00 0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1a5b h ASN 171 CO -0.08 0.06 -0.66 -0.33 -1.65 0.00 0.00 177.43 174.78 1a5b h GLU 172 N 0.35 0.13 -0.28 0.81 4.39 -1.72 -0.78 114.58 117.46 1a5b h GLU 172 Ca 0.34 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.87 1a5b h GLU 172 Cb 0.49 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1a5b h GLU 172 CO -0.38 0.74 -0.13 0.00 -1.16 0.00 0.00 179.01 178.07 1a5b h ALA 173 N 1.24 0.40 -0.21 3.43 0.00 -0.99 -2.35 119.26 120.77 1a5b h ALA 173 Ca -0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1a5b h ALA 173 Cb 1.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1a5b h ALA 173 CO 0.09 0.28 -0.07 -0.07 0.00 0.00 0.00 179.25 179.48 1a5b h LEU 174 N 0.34 0.43 -0.87 0.00 3.38 -0.73 -1.95 115.31 115.90 1a5b h LEU 174 Ca 0.06 -0.38 0.14 0.00 0.09 0.00 0.00 57.88 57.79 1a5b h LEU 174 Cb 0.65 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 1a5b h LEU 174 CO 0.04 0.71 0.47 -0.09 0.09 0.00 0.00 178.44 179.67 1a5b h ARG 175 N 0.14 0.67 0.21 1.13 2.43 -1.15 0.94 114.38 118.75 1a5b h ARG 175 Ca 0.05 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1a5b h ARG 175 Cb 0.54 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1a5b h ARG 175 CO 0.02 0.44 -0.10 0.22 -1.51 0.00 0.00 179.97 179.05 1a5b h ASP 176 N 0.69 -0.24 -0.53 -3.80 1.82 -1.27 -2.90 116.42 110.19 1a5b h ASP 176 Ca 0.47 -0.14 0.09 0.00 -0.39 0.00 0.00 57.03 57.05 1a5b h ASP 176 Cb 0.62 0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.66 1a5b h ASP 176 CO -0.34 0.01 0.36 -0.25 -1.61 0.00 0.00 179.24 177.41 1a5b h TRP 177 N -0.48 0.36 -0.98 0.28 7.01 -0.52 0.39 115.95 122.01 1a5b h TRP 177 Ca -0.03 0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.12 1a5b h TRP 177 Cb 0.37 -0.12 -0.09 0.00 -2.10 0.00 0.00 29.16 27.22 1a5b h TRP 177 CO -0.00 0.18 0.60 0.77 -2.79 0.00 0.00 178.44 177.19 1a5b h SER 178 N 0.34 0.85 0.00 2.65 0.02 -0.63 0.24 113.55 117.02 1a5b h SER 178 Ca 0.24 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1a5b h SER 178 Cb 0.51 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1a5b h SER 178 CO -0.06 0.42 -1.67 0.61 -1.14 0.00 0.00 176.83 174.99 1a5b n GLY 179 N -1.34 -0.98 0.25 -3.77 0.00 -0.57 -4.49 105.19 94.28 1a5b n GLY 179 Ca 0.19 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.76 1a5b n GLY 179 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a5b n SER 180 N -2.01 1.38 0.29 1.61 7.64 0.02 -4.64 113.62 117.90 1a5b n SER 180 Ca -0.01 -1.19 0.09 0.00 1.01 0.00 0.00 58.87 58.76 1a5b n SER 180 Cb 0.49 0.68 0.47 0.00 -1.01 0.00 0.00 64.21 64.84 1a5b n SER 180 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 1a5b h TYR 181 N 1.21 0.00 -0.34 1.43 -0.00 -0.69 0.30 116.97 118.88 1a5b h TYR 181 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.73 58.60 1a5b h TYR 181 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.25 1a5b h TYR 181 CO 0.00 0.00 -0.30 0.93 -0.00 0.00 0.00 178.16 178.79 1a5b h GLU 182 N 0.00 0.73 -0.00 0.10 3.07 -1.86 -3.34 114.58 113.28 1a5b h GLU 182 Ca 0.00 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1a5b h GLU 182 Cb 1.02 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1a5b h GLU 182 CO 0.00 0.94 -0.02 0.25 -1.40 0.00 0.00 179.01 178.78 1a5b n THR 183 N -4.08 0.00 -4.37 1.13 -2.24 0.23 -4.77 114.28 100.18 1a5b n THR 183 Ca -0.01 -0.49 -0.25 0.00 -2.27 0.00 0.00 64.05 61.03 1a5b n THR 183 Cb 0.47 1.00 -0.13 0.00 -2.10 0.00 0.00 70.33 69.58 1a5b n THR 183 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5b s ALA 184 N -0.74 1.92 -0.11 6.98 0.00 0.80 -1.64 121.76 128.97 1a5b s ALA 184 Ca 0.00 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.73 1a5b s ALA 184 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1a5b s ALA 184 CO 0.02 0.40 -0.22 -1.58 0.00 0.00 0.00 175.76 174.39 1a5b s HIS 185 N -1.08 2.62 -0.21 0.00 2.46 -0.66 -4.16 115.29 114.27 1a5b s HIS 185 Ca 0.08 -1.06 -0.27 0.00 0.47 0.00 0.00 55.06 54.28 1a5b s HIS 185 Cb -0.10 -1.76 -0.00 0.00 -0.13 0.00 0.00 32.58 30.59 1a5b s HIS 185 CO 0.04 -0.44 0.92 -0.47 -2.47 0.00 0.00 174.74 172.32 1a5b s TYR 186 N 0.46 3.37 -0.55 3.88 5.04 -1.26 -0.53 117.35 127.77 1a5b s TYR 186 Ca -0.15 1.32 -0.16 0.00 -2.44 0.00 0.00 57.07 55.64 1a5b s TYR 186 Cb -0.17 -3.13 0.13 0.00 0.35 0.00 0.00 41.96 39.14 1a5b s TYR 186 CO 0.06 -0.37 0.53 1.41 -1.34 0.00 0.00 175.55 175.84 1a5b s MET 187 N 2.70 3.00 0.17 4.97 -2.45 0.15 -4.91 119.30 122.93 1a5b s MET 187 Ca 0.40 -1.65 -0.30 0.00 -1.25 0.00 0.00 55.69 52.90 1a5b s MET 187 Cb -0.16 -4.29 -0.07 0.00 1.25 0.00 0.00 34.83 31.56 1a5b s MET 187 CO 0.09 -1.35 0.93 -1.17 1.05 0.00 0.00 175.02 174.57 1a5b s LEU 188 N 1.76 4.57 0.00 4.11 0.20 -1.26 -4.64 118.68 123.42 1a5b s LEU 188 Ca 0.04 1.84 0.20 0.00 0.69 0.00 0.00 54.13 56.90 1a5b s LEU 188 Cb -0.29 -3.57 0.62 0.00 -0.43 0.00 0.00 46.19 42.53 1a5b s LEU 188 CO 0.04 0.05 1.48 0.61 -0.29 0.00 0.00 176.35 178.24 1a5b n GLY 189 N 1.89 0.68 3.45 7.98 0.00 -1.26 -4.97 105.19 112.96 1a5b n GLY 189 Ca -0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 1a5b n GLY 189 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1a5b s THR 190 N -1.68 0.01 -1.08 2.61 -1.32 -1.26 -4.91 115.64 108.01 1a5b s THR 190 Ca 0.33 -1.55 -0.08 0.00 -1.21 0.00 0.00 61.69 59.18 1a5b s THR 190 Cb 0.18 -2.22 -0.14 0.00 -1.51 0.00 0.00 72.50 68.82 1a5b s THR 190 CO 0.26 -0.05 3.03 0.00 -2.21 0.00 0.00 174.62 175.66 1a5b n ALA 191 N -0.33 6.86 -3.07 11.08 0.00 -1.26 -4.75 120.51 129.03 1a5b n ALA 191 Ca -0.02 -2.84 -0.01 0.00 0.00 0.00 0.00 53.44 50.57 1a5b n ALA 191 Cb 0.63 -3.03 -0.00 0.00 0.00 0.00 0.00 19.45 17.05 1a5b n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5b n ALA 192 N 3.33 0.01 0.00 0.00 0.00 -1.26 -4.09 120.51 118.49 1a5b n ALA 192 Ca 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1a5b n ALA 192 Cb 0.41 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1a5b n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5b n GLY 193 N -0.04 -2.05 3.80 0.00 0.00 -1.25 -3.91 105.19 101.73 1a5b n GLY 193 Ca 0.00 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 1a5b n GLY 193 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5b s PRO 194 N -0.06 3.93 0.60 1.61 0.04 -1.20 -4.49 135.00 135.44 1a5b s PRO 194 Ca 0.00 1.36 -0.19 0.00 0.04 0.00 0.00 61.00 62.21 1a5b s PRO 194 Cb 0.00 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1a5b s PRO 194 CO 0.00 -0.32 1.12 1.58 0.04 0.00 0.00 177.00 179.43 1a5b n HIS 195 N -0.74 1.38 0.29 0.56 -0.00 -0.64 -1.45 115.22 114.63 1a5b n HIS 195 Ca 0.08 0.43 0.05 0.00 -0.00 0.00 0.00 57.72 58.28 1a5b n HIS 195 Cb 0.52 -2.21 0.20 0.00 -0.00 0.00 0.00 29.99 28.49 1a5b n HIS 195 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1a5b n PRO 196 N -1.24 2.61 -0.07 1.57 -0.04 -1.26 -4.87 135.00 131.71 1a5b n PRO 196 Ca 0.14 -1.54 -0.07 0.00 -0.04 0.00 0.00 63.50 61.98 1a5b n PRO 196 Cb 0.47 -1.68 -0.01 0.00 -0.04 0.00 0.00 33.50 32.24 1a5b n PRO 196 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1a5b h TYR 197 N 2.14 0.05 -0.64 0.54 0.05 -1.54 0.37 116.97 117.93 1a5b h TYR 197 Ca 0.00 0.02 0.12 0.00 0.05 0.00 0.00 58.73 58.92 1a5b h TYR 197 Cb 0.99 0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.72 1a5b h TYR 197 CO 0.46 -0.01 0.43 -1.35 -1.05 0.00 0.00 178.16 176.64 1a5b h PRO 198 N 0.13 0.36 0.21 4.88 0.11 -1.74 -1.17 132.00 134.78 1a5b h PRO 198 Ca 0.13 -0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.93 1a5b h PRO 198 Cb 0.15 -0.08 0.03 0.00 0.11 0.00 0.00 31.00 31.21 1a5b h PRO 198 CO -0.19 0.24 -1.27 1.15 -0.21 0.00 0.00 178.00 177.72 1a5b h THR 199 N 0.37 1.35 0.04 -1.15 2.02 -1.75 -3.14 112.91 110.66 1a5b h THR 199 Ca 0.30 -2.63 -0.00 0.00 0.77 0.00 0.00 66.41 64.85 1a5b h THR 199 Cb 0.68 3.06 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 1a5b h THR 199 CO -0.08 0.78 -0.02 0.40 0.37 0.00 0.00 175.52 176.96 1a5b h ILE 200 N 0.01 1.11 -0.75 3.11 2.04 -0.52 -1.80 117.51 120.70 1a5b h ILE 200 Ca -0.22 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.19 1a5b h ILE 200 Cb 2.00 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 39.46 1a5b h ILE 200 CO 0.24 0.12 0.50 0.58 0.00 0.00 0.00 178.15 179.59 1a5b h VAL 201 N -0.27 1.15 -0.24 1.67 2.07 -1.38 -0.50 116.25 118.76 1a5b h VAL 201 Ca -0.01 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1a5b h VAL 201 Cb 0.24 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1a5b h VAL 201 CO 0.01 0.18 -0.05 -0.09 0.02 0.00 0.00 177.57 177.64 1a5b h ARG 202 N 0.97 0.46 0.00 1.57 2.43 -1.48 -2.05 114.38 116.28 1a5b h ARG 202 Ca 0.29 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1a5b h ARG 202 Cb -0.03 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1a5b h ARG 202 CO -0.07 0.68 -0.25 0.93 -1.51 0.00 0.00 179.97 179.74 1a5b h GLU 203 N 0.20 0.00 -0.01 0.20 4.39 -0.86 0.16 114.58 118.67 1a5b h GLU 203 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1a5b h GLU 203 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1a5b h GLU 203 CO 0.02 0.25 -0.10 1.19 -1.16 0.00 0.00 179.01 179.22 1a5b n PHE 204 N -4.00 0.00 0.06 4.33 3.72 -0.24 -3.79 117.46 117.55 1a5b n PHE 204 Ca -0.02 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.39 1a5b n PHE 204 Cb 0.32 -0.07 -0.01 0.00 -0.94 0.00 0.00 39.48 38.78 1a5b n PHE 204 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1a5b n GLN 205 N -0.39 5.63 0.09 -1.08 1.13 -0.72 -3.36 117.38 118.68 1a5b n GLN 205 Ca 0.17 -0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.29 1a5b n GLN 205 Cb 0.32 -0.63 0.36 0.00 0.11 0.00 0.00 30.24 30.39 1a5b n GLN 205 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1a5b n ARG 206 N -1.11 0.09 0.23 -1.09 1.85 0.49 -2.05 116.66 115.08 1a5b n ARG 206 Ca 0.00 0.55 0.08 0.00 -1.00 0.00 0.00 57.85 57.48 1a5b n ARG 206 Cb 0.03 -1.76 0.57 0.00 -1.05 0.00 0.00 32.46 30.24 1a5b n ARG 206 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1a5b h MET 207 N 0.00 0.00 0.18 2.89 -0.00 -1.83 -1.94 114.93 114.23 1a5b h MET 207 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.71 1a5b h MET 207 Cb 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.63 1a5b h MET 207 CO 0.00 0.19 -0.21 0.82 -0.00 0.00 0.00 176.91 177.71 1a5b h ILE 208 N 0.00 0.54 -0.49 -0.10 2.04 -1.59 -0.04 117.51 117.87 1a5b h ILE 208 Ca -0.00 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 1a5b h ILE 208 Cb 0.41 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1a5b h ILE 208 CO 0.03 0.00 -0.07 1.23 0.00 0.00 0.00 178.15 179.33 1a5b h GLY 209 N -0.44 0.93 1.26 5.37 0.00 -1.01 -1.48 103.07 107.70 1a5b h GLY 209 Ca 0.01 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.56 1a5b h GLY 209 CO -0.07 0.64 -0.00 0.83 0.00 0.00 0.00 176.54 177.94 1a5b h GLU 210 N 0.79 0.90 -0.08 4.80 5.08 -1.11 -1.20 114.58 123.75 1a5b h GLU 210 Ca 0.14 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1a5b h GLU 210 Cb 0.57 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1a5b h GLU 210 CO 0.03 0.90 -0.12 0.93 -1.00 0.00 0.00 179.01 179.76 1a5b h GLU 211 N 0.83 0.22 -0.78 2.33 5.08 -0.87 -2.94 114.58 118.45 1a5b h GLU 211 Ca 0.16 -0.13 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 1a5b h GLU 211 Cb 0.50 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 1a5b h GLU 211 CO 0.02 0.69 0.38 1.15 -1.00 0.00 0.00 179.01 180.26 1a5b h THR 212 N -0.22 0.78 -0.04 1.13 2.02 -1.14 0.20 112.91 115.64 1a5b h THR 212 Ca 0.01 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1a5b h THR 212 Cb 0.66 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1a5b h THR 212 CO 0.03 0.11 0.02 0.50 0.37 0.00 0.00 175.52 176.55 1a5b h LYS 213 N 0.60 0.05 -0.59 6.66 3.64 -1.25 0.13 116.57 125.82 1a5b h LYS 213 Ca 0.40 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.75 1a5b h LYS 213 Cb 0.51 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1a5b h LYS 213 CO -0.32 0.08 0.26 0.00 -2.27 0.00 0.00 179.45 177.20 1a5b h ALA 214 N 0.97 0.76 -0.58 5.00 0.00 -1.17 -1.53 119.26 122.71 1a5b h ALA 214 Ca 0.01 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1a5b h ALA 214 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1a5b h ALA 214 CO -0.00 0.35 -0.05 1.96 0.00 0.00 0.00 179.25 181.51 1a5b h GLN 215 N 0.81 1.07 -0.27 0.00 4.20 -0.48 -1.16 115.11 119.27 1a5b h GLN 215 Ca 0.20 -0.37 -0.14 0.00 0.06 0.00 0.00 58.65 58.40 1a5b h GLN 215 Cb 0.16 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1a5b h GLN 215 CO -0.02 1.07 -0.40 0.97 -0.67 0.00 0.00 178.83 179.77 1a5b h ILE 216 N 0.96 1.29 -0.14 2.54 6.09 -0.59 -0.60 117.51 127.05 1a5b h ILE 216 Ca 0.16 -1.57 -0.10 0.00 -1.37 0.00 0.00 64.86 61.98 1a5b h ILE 216 Cb 0.62 1.52 -0.01 0.00 0.47 0.00 0.00 36.82 39.41 1a5b h ILE 216 CO 0.04 0.50 -0.34 -0.07 -3.07 0.00 0.00 178.15 175.21 1a5b h LEU 217 N 0.53 0.30 -0.05 2.19 3.38 -1.13 0.17 115.31 120.70 1a5b h LEU 217 Ca 0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1a5b h LEU 217 Cb 0.93 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1a5b h LEU 217 CO 0.08 0.63 -0.10 -0.78 0.09 0.00 0.00 178.44 178.36 1a5b h ASP 218 N 0.25 0.18 0.06 -0.43 3.58 -0.82 -0.91 116.42 118.34 1a5b h ASP 218 Ca 0.03 -0.56 -0.00 0.00 0.42 0.00 0.00 57.03 56.92 1a5b h ASP 218 Cb 0.73 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1a5b h ASP 218 CO 0.06 0.70 -0.03 0.11 -2.88 0.00 0.00 179.24 177.20 1a5b h LYS 219 N -0.34 -0.08 0.00 0.28 6.56 -1.06 -3.39 116.57 118.54 1a5b h LYS 219 Ca 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1a5b h LYS 219 Cb 0.67 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.35 1a5b h LYS 219 CO 0.02 0.49 -1.06 0.39 -2.06 0.00 0.00 179.45 177.24 1a5b n GLU 220 N -4.83 1.33 -1.62 3.15 -0.58 0.58 -5.00 120.64 113.67 1a5b n GLU 220 Ca -0.08 -0.05 -0.14 0.00 -0.42 0.00 0.00 57.16 56.47 1a5b n GLU 220 Cb 0.30 -1.30 -0.05 0.00 -0.57 0.00 0.00 31.44 29.83 1a5b n GLU 220 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a5b n GLY 221 N 1.43 1.02 3.47 0.62 0.00 -0.35 -4.96 105.19 106.43 1a5b n GLY 221 Ca 0.01 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 1a5b n GLY 221 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a5b s ARG 222 N -3.56 1.32 0.55 1.61 1.70 -1.26 -4.97 118.95 114.34 1a5b s ARG 222 Ca 0.00 -0.63 -0.10 0.00 -0.47 0.00 0.00 55.73 54.52 1a5b s ARG 222 Cb 0.00 0.56 -0.05 0.00 -0.57 0.00 0.00 34.95 34.89 1a5b s ARG 222 CO 0.00 -0.57 0.93 -0.51 -1.08 0.00 0.00 175.30 174.07 1a5b s LEU 223 N -2.80 3.46 0.81 -1.89 1.43 -1.26 -3.97 118.68 114.45 1a5b s LEU 223 Ca 0.04 1.29 -0.11 0.00 -1.03 0.00 0.00 54.13 54.32 1a5b s LEU 223 Cb -0.01 -4.28 0.08 0.00 0.03 0.00 0.00 46.19 42.01 1a5b s LEU 223 CO -0.09 -0.70 1.09 -2.16 0.23 0.00 0.00 176.35 174.72 1a5b s PRO 224 N -4.75 1.99 0.15 1.29 0.04 -1.26 -4.95 135.00 127.51 1a5b s PRO 224 Ca 0.53 0.94 0.06 0.00 0.04 0.00 0.00 61.00 62.57 1a5b s PRO 224 Cb -0.11 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 1a5b s PRO 224 CO 0.46 -1.76 1.35 -0.44 0.04 0.00 0.00 177.00 176.64 1a5b h ASP 225 N -1.20 0.07 -4.78 6.66 3.32 -0.58 -3.41 116.42 116.50 1a5b h ASP 225 Ca -0.46 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.46 1a5b h ASP 225 Cb 1.25 -0.02 -0.19 0.00 0.22 0.00 0.00 39.33 40.58 1a5b h ASP 225 CO 0.54 0.96 0.17 0.00 -1.72 0.00 0.00 179.24 179.19 1a5b s ALA 226 N -2.96 -1.77 -0.10 3.45 0.00 -1.19 -0.54 121.76 118.65 1a5b s ALA 226 Ca -0.00 1.47 0.03 0.00 0.00 0.00 0.00 51.96 53.46 1a5b s ALA 226 Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1a5b s ALA 226 CO 0.82 -0.36 -0.21 0.14 0.00 0.00 0.00 175.76 176.14 1a5b s VAL 227 N -0.84 2.33 -0.06 0.00 -7.23 0.26 -2.04 120.40 112.81 1a5b s VAL 227 Ca -0.09 -0.93 0.05 0.00 -1.81 0.00 0.00 61.98 59.21 1a5b s VAL 227 Cb -0.01 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 1a5b s VAL 227 CO 0.08 0.55 -0.23 -0.63 -0.31 0.00 0.00 175.10 174.56 1a5b s ILE 228 N 0.23 1.91 -0.08 -0.62 1.01 0.18 -0.72 121.20 123.10 1a5b s ILE 228 Ca -0.14 -0.97 -0.10 0.00 0.00 0.00 0.00 60.65 59.44 1a5b s ILE 228 Cb -0.17 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.70 1a5b s ILE 228 CO 0.07 0.53 0.26 0.00 0.00 0.00 0.00 174.94 175.81 1a5b s ALA 229 N -0.01 -0.65 0.61 9.38 0.00 -0.57 -1.03 121.76 129.49 1a5b s ALA 229 Ca -0.07 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 52.37 1a5b s ALA 229 Cb -0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 1a5b s ALA 229 CO 0.04 -0.15 1.10 0.00 0.00 0.00 0.00 175.76 176.75 1a5b s VAL 231 N -2.23 1.76 -0.02 0.00 1.01 0.94 -4.15 120.40 117.71 1a5b s VAL 231 Ca 0.67 -1.89 -0.01 0.00 0.00 0.00 0.00 61.98 60.75 1a5b s VAL 231 Cb -0.20 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.93 1a5b s VAL 231 CO 0.36 -0.53 -0.02 0.61 0.00 0.00 0.00 175.10 175.51 1a5b n GLY 232 N 4.49 -0.56 0.03 4.51 0.00 -1.26 -4.51 105.19 107.89 1a5b n GLY 232 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 1a5b n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5b n GLY 233 N 1.68 -0.40 0.00 -0.02 0.00 -1.26 -4.46 105.19 100.72 1a5b n GLY 233 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1a5b n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5b n GLY 234 N 2.35 1.05 0.11 -0.02 0.00 -1.26 -0.93 105.19 106.48 1a5b n GLY 234 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1a5b n GLY 234 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a5b h SER 235 N 0.00 -0.14 -0.48 1.61 4.64 -1.91 -0.13 113.55 117.15 1a5b h SER 235 Ca 0.00 -0.27 -0.07 0.00 -0.47 0.00 0.00 61.79 60.99 1a5b h SER 235 Cb 0.00 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1a5b h SER 235 CO 0.00 0.20 0.06 -0.55 -0.87 0.00 0.00 176.83 175.67 1a5b h ASN 236 N -0.50 0.82 -0.00 4.97 7.08 -1.97 -0.58 115.58 125.40 1a5b h ASN 236 Ca -0.02 -0.18 -0.00 0.00 -3.08 0.00 0.00 56.30 53.02 1a5b h ASN 236 Cb 0.40 -0.22 -0.00 0.00 -2.08 0.00 0.00 38.32 36.42 1a5b h ASN 236 CO 0.03 0.85 0.00 0.00 -2.08 0.00 0.00 177.43 176.23 1a5b h ALA 237 N 1.24 0.00 -0.01 4.14 0.00 -1.71 -1.88 119.26 121.04 1a5b h ALA 237 Ca 0.17 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1a5b h ALA 237 Cb 0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1a5b h ALA 237 CO 0.01 -0.36 -0.38 0.97 0.00 0.00 0.00 179.25 179.49 1a5b h ILE 238 N -0.27 1.27 -0.81 0.00 6.09 -0.93 0.33 117.51 123.18 1a5b h ILE 238 Ca 0.00 -1.31 -0.02 0.00 -1.37 0.00 0.00 64.86 62.16 1a5b h ILE 238 Cb 0.27 1.69 -0.04 0.00 0.47 0.00 0.00 36.82 39.22 1a5b h ILE 238 CO 0.00 0.38 0.43 1.23 -3.07 0.00 0.00 178.15 177.12 1a5b h GLY 239 N 1.14 1.23 0.52 8.18 0.00 -0.82 0.23 103.07 113.55 1a5b h GLY 239 Ca -0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 1a5b h GLY 239 CO 0.05 0.54 -0.24 1.98 0.00 0.00 0.00 176.54 178.87 1a5b h MET 240 N 1.14 0.21 0.39 4.80 1.85 -0.85 -2.18 114.93 120.30 1a5b h MET 240 Ca 0.29 -0.19 -0.02 0.00 -0.61 0.00 0.00 59.70 59.17 1a5b h MET 240 Cb 0.05 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.13 1a5b h MET 240 CO -0.04 0.88 -0.19 0.74 -0.40 0.00 0.00 176.91 177.89 1a5b h PHE 241 N -0.39 -0.49 -0.15 1.39 0.04 -0.83 -3.37 116.94 113.13 1a5b h PHE 241 Ca -0.02 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.75 1a5b h PHE 241 Cb 0.94 0.16 -0.02 0.00 2.20 0.00 0.00 35.95 39.24 1a5b h PHE 241 CO 0.16 -0.25 -0.09 0.00 -0.60 0.00 0.00 178.31 177.53 1a5b n ALA 242 N -2.37 -0.10 0.30 2.45 0.00 0.06 0.61 120.51 121.46 1a5b n ALA 242 Ca -0.11 0.13 0.17 0.00 0.00 0.00 0.00 53.44 53.63 1a5b n ALA 242 Cb 0.25 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.45 1a5b n ALA 242 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1a5b h ASP 243 N 0.00 0.00 0.12 0.00 3.58 -1.81 -2.97 116.42 115.34 1a5b h ASP 243 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1a5b h ASP 243 Cb 0.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1a5b h ASP 243 CO -0.14 0.00 -0.60 0.49 -2.88 0.00 0.00 179.24 176.11 1a5b n PHE 244 N -2.90 0.00 -0.29 0.28 3.72 0.20 -4.52 117.46 113.95 1a5b n PHE 244 Ca 0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 1a5b n PHE 244 Cb 0.23 -0.06 0.21 0.00 -0.94 0.00 0.00 39.48 38.93 1a5b n PHE 244 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1a5b h ILE 245 N 1.08 0.73 -0.00 4.37 2.04 -1.31 0.60 117.51 125.02 1a5b h ILE 245 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1a5b h ILE 245 Cb 0.59 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1a5b h ILE 245 CO 0.00 0.11 -0.01 0.59 0.00 0.00 0.00 178.15 178.84 1a5b n ASN 246 N -4.88 0.05 -4.40 1.72 3.02 -1.26 -4.24 115.26 105.27 1a5b n ASN 246 Ca 0.16 -0.25 -0.45 0.00 -0.03 0.00 0.00 54.58 54.01 1a5b n ASN 246 Cb 0.42 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 1a5b n ASN 246 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1a5b s ASP 247 N -2.52 7.06 0.60 6.41 1.01 0.20 -4.87 116.67 124.56 1a5b s ASP 247 Ca 0.30 -3.03 0.29 0.00 0.71 0.00 0.00 52.55 50.82 1a5b s ASP 247 Cb 0.20 -2.31 1.55 0.00 1.01 0.00 0.00 42.92 43.37 1a5b s ASP 247 CO 0.46 -0.61 1.96 0.71 0.21 0.00 0.00 175.17 177.89 1a5b h THR 248 N 4.50 0.34 0.00 -1.27 1.35 -1.77 -1.04 112.91 115.02 1a5b h THR 248 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 1a5b h THR 248 Cb 0.91 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1a5b h THR 248 CO 1.09 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 177.13 1a5b h SER 249 N 0.00 0.00 -3.53 5.36 4.64 -1.91 -3.43 113.55 114.68 1a5b h SER 249 Ca 0.15 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.85 1a5b h SER 249 Cb 0.91 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.88 1a5b h SER 249 CO -0.00 0.00 0.18 -0.69 -0.87 0.00 0.00 176.83 175.45 1a5b s VAL 250 N -3.26 4.91 0.31 0.95 1.01 -0.40 -4.84 120.40 119.08 1a5b s VAL 250 Ca 0.07 0.84 -0.29 0.00 0.00 0.00 0.00 61.98 62.61 1a5b s VAL 250 Cb 0.10 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 1a5b s VAL 250 CO 0.55 -0.19 1.14 -0.83 0.00 0.00 0.00 175.10 175.77 1a5b s GLY 251 N 1.67 3.02 -0.21 4.51 0.00 0.30 -4.92 107.32 111.70 1a5b s GLY 251 Ca 0.26 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.94 1a5b s GLY 251 CO 0.13 1.56 -0.14 1.08 0.00 0.00 0.00 173.10 175.72 1a5b s LEU 252 N -1.67 2.60 -0.18 0.66 1.43 -1.26 -0.58 118.68 119.68 1a5b s LEU 252 Ca 0.47 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1a5b s LEU 252 Cb -0.33 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1a5b s LEU 252 CO 0.42 -0.05 -0.16 -0.63 0.23 0.00 0.00 176.35 176.16 1a5b s ILE 253 N 1.30 1.87 -0.16 -0.59 1.01 0.10 -0.87 121.20 123.85 1a5b s ILE 253 Ca 0.02 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 1a5b s ILE 253 Cb -0.15 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1a5b s ILE 253 CO -0.09 0.43 0.13 -0.83 0.00 0.00 0.00 174.94 174.57 1a5b s GLY 254 N 1.35 2.08 -0.25 6.18 0.00 0.30 -1.51 107.32 115.47 1a5b s GLY 254 Ca 0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 44.72 44.05 1a5b s GLY 254 CO -0.11 -0.12 -0.03 0.14 0.00 0.00 0.00 173.10 172.98 1a5b s VAL 255 N -0.30 3.14 0.19 1.40 1.01 0.22 -1.32 120.40 124.74 1a5b s VAL 255 Ca 0.11 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1a5b s VAL 255 Cb -0.12 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1a5b s VAL 255 CO 0.01 0.21 0.41 -1.61 0.00 0.00 0.00 175.10 174.12 1a5b s GLU 256 N 1.38 3.58 -0.05 2.72 2.02 0.72 -0.04 118.70 129.03 1a5b s GLU 256 Ca 0.01 -0.17 -0.30 0.00 0.02 0.00 0.00 54.97 54.54 1a5b s GLU 256 Cb -0.16 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.21 1a5b s GLU 256 CO -0.03 0.40 1.43 -1.25 0.02 0.00 0.00 175.26 175.83 1a5b s PRO 257 N -3.06 4.25 0.00 0.39 0.04 -1.25 -2.06 135.00 133.30 1a5b s PRO 257 Ca 0.41 1.96 0.26 0.00 0.04 0.00 0.00 61.00 63.67 1a5b s PRO 257 Cb -0.11 -3.71 0.78 0.00 0.04 0.00 0.00 34.50 31.50 1a5b s PRO 257 CO 0.27 -0.67 1.60 0.41 0.04 0.00 0.00 177.00 178.65 1a5b n GLY 258 N 3.76 -1.15 7.00 0.56 0.00 0.26 -1.10 105.19 114.51 1a5b n GLY 258 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1a5b n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5b n GLY 259 N 1.44 3.65 0.02 -0.02 0.00 -1.25 -0.25 105.19 108.78 1a5b n GLY 259 Ca 0.08 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.25 1a5b n GLY 259 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a5b n HIS 260 N 14.00 0.00 0.00 1.61 8.25 -0.50 -1.22 115.22 137.36 1a5b n HIS 260 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1a5b n HIS 260 Cb 0.00 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1a5b n HIS 260 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a5b n GLY 261 N 1.06 4.05 0.38 -1.41 0.00 0.65 -4.82 105.19 105.09 1a5b n GLY 261 Ca 0.22 -1.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.05 1a5b n GLY 261 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a5b h ILE 262 N 0.00 0.07 -0.16 -0.61 1.08 -1.87 0.06 117.51 116.09 1a5b h ILE 262 Ca 0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1a5b h ILE 262 Cb 0.00 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 33.82 1a5b h ILE 262 CO 0.00 0.00 0.30 1.05 -0.69 0.00 0.00 178.15 178.81 1a5b h GLU 263 N -0.10 0.00 0.00 2.37 9.09 -1.93 0.37 114.58 124.38 1a5b h GLU 263 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.67 1a5b h GLU 263 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.66 1a5b h GLU 263 CO -0.82 0.00 0.00 0.25 0.05 0.00 0.00 179.01 178.49 1a5b n THR 264 N -3.36 0.52 0.00 -1.06 -2.24 0.01 -4.89 114.28 103.26 1a5b n THR 264 Ca 0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1a5b n THR 264 Cb 0.41 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1a5b n THR 264 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a5b n GLY 265 N 1.15 2.92 3.43 3.38 0.00 0.12 -4.90 105.19 111.29 1a5b n GLY 265 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1a5b n GLY 265 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a5b n GLU 266 N -1.44 3.30 -4.15 1.61 1.02 -1.26 -4.88 120.64 114.83 1a5b n GLU 266 Ca 0.00 -3.55 -0.17 0.00 -0.02 0.00 0.00 57.16 53.42 1a5b n GLU 266 Cb 0.00 -3.22 -0.05 0.00 -0.02 0.00 0.00 31.44 28.15 1a5b n GLU 266 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1a5b s HIS 267 N 2.57 1.33 -0.33 -0.32 -3.43 -1.26 -1.40 115.29 112.45 1a5b s HIS 267 Ca 0.47 -1.45 0.16 0.00 -0.80 0.00 0.00 55.06 53.45 1a5b s HIS 267 Cb 0.02 -0.28 0.46 0.00 -1.43 0.00 0.00 32.58 31.35 1a5b s HIS 267 CO 0.03 -1.09 0.98 0.41 -2.00 0.00 0.00 174.74 173.07 1a5b n GLY 268 N -0.61 2.21 2.42 -1.38 0.00 -0.26 -0.53 105.19 107.03 1a5b n GLY 268 Ca 0.03 -1.50 -0.27 0.00 0.00 0.00 0.00 46.02 44.29 1a5b n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5b n ALA 269 N -0.16 3.93 -0.11 4.61 0.00 -1.17 -3.86 120.51 123.76 1a5b n ALA 269 Ca 0.13 -4.63 -0.07 0.00 0.00 0.00 0.00 53.44 48.88 1a5b n ALA 269 Cb 0.80 -0.88 0.10 0.00 0.00 0.00 0.00 19.45 19.47 1a5b n ALA 269 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1a5b h PRO 270 N 4.09 0.82 -0.75 0.00 0.13 -1.85 0.18 132.00 134.62 1a5b h PRO 270 Ca 0.18 -0.29 0.12 0.00 -0.87 0.00 0.00 66.00 65.15 1a5b h PRO 270 Cb 0.68 -0.06 -0.09 0.00 0.13 0.00 0.00 31.00 31.66 1a5b h PRO 270 CO 0.80 0.90 0.34 1.25 -0.23 0.00 0.00 178.00 181.06 1a5b h LEU 271 N 0.74 0.38 0.00 1.56 6.46 -1.90 0.14 115.31 122.68 1a5b h LEU 271 Ca 0.12 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1a5b h LEU 271 Cb 0.63 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1a5b h LEU 271 CO 0.04 0.18 -1.76 0.29 -0.62 0.00 0.00 178.44 176.57 1a5b n LYS 272 N -4.93 0.57 -2.49 1.25 4.76 -1.22 -4.64 118.16 111.46 1a5b n LYS 272 Ca 0.13 -0.15 -0.12 0.00 -2.87 0.00 0.00 58.31 55.30 1a5b n LYS 272 Cb 0.36 -1.41 0.03 0.00 -1.84 0.00 0.00 35.03 32.17 1a5b n LYS 272 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1a5b n HIS 273 N -2.08 1.96 -3.73 2.13 8.25 0.05 -5.06 115.22 116.74 1a5b n HIS 273 Ca -0.03 -2.28 -0.03 0.00 -0.26 0.00 0.00 57.72 55.12 1a5b n HIS 273 Cb 0.45 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 1a5b n HIS 273 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a5b n GLY 274 N -0.60 3.03 2.99 -1.41 0.00 0.47 -4.64 105.19 105.02 1a5b n GLY 274 Ca 0.23 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 1a5b n GLY 274 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1a5b s ARG 275 N -2.19 0.35 0.23 1.61 1.70 -0.98 -4.76 118.95 114.91 1a5b s ARG 275 Ca 0.07 -0.50 -0.30 0.00 -0.47 0.00 0.00 55.73 54.52 1a5b s ARG 275 Cb -0.00 -0.12 -0.15 0.00 -0.57 0.00 0.00 34.95 34.11 1a5b s ARG 275 CO 0.05 0.02 1.08 0.28 -1.08 0.00 0.00 175.30 175.64 1a5b n VAL 276 N 1.99 1.42 -3.62 4.99 0.31 -1.26 -1.47 118.33 120.68 1a5b n VAL 276 Ca -0.20 -0.35 -0.03 0.00 -0.01 0.00 0.00 64.34 63.75 1a5b n VAL 276 Cb 0.56 -0.89 -0.00 0.00 -0.91 0.00 0.00 33.84 32.59 1a5b n VAL 276 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a5b n GLY 277 N 1.68 2.87 2.86 2.92 0.00 -0.29 -4.84 105.19 110.39 1a5b n GLY 277 Ca 0.13 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.48 1a5b n GLY 277 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5b s ILE 278 N -2.53 0.93 -0.18 -0.61 1.01 -1.26 -2.04 121.20 116.52 1a5b s ILE 278 Ca 0.05 -0.50 -0.34 0.00 0.00 0.00 0.00 60.65 59.86 1a5b s ILE 278 Cb -0.00 -1.14 0.14 0.00 0.01 0.00 0.00 42.46 41.47 1a5b s ILE 278 CO 0.04 0.12 1.18 -0.47 0.00 0.00 0.00 174.94 175.80 1a5b s TYR 279 N 1.71 -0.16 -1.06 3.97 5.04 -0.67 -4.96 117.35 121.22 1a5b s TYR 279 Ca 0.01 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 1a5b s TYR 279 Cb -0.15 0.51 0.00 0.00 0.35 0.00 0.00 41.96 42.67 1a5b s TYR 279 CO -0.07 -0.23 0.00 1.19 -1.34 0.00 0.00 175.55 175.10 1a5b n PHE 280 N -0.00 -0.06 -1.14 4.97 3.72 -1.26 -2.36 117.46 121.32 1a5b n PHE 280 Ca -0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.34 1a5b n PHE 280 Cb 0.59 -2.02 -0.02 0.00 -0.94 0.00 0.00 39.48 37.09 1a5b n PHE 280 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a5b n GLY 281 N -1.65 0.76 3.24 1.37 0.00 -1.25 -3.27 105.19 104.39 1a5b n GLY 281 Ca -0.10 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 1a5b n GLY 281 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1a5b s MET 282 N -2.27 0.91 -0.30 1.61 0.23 -1.00 -1.57 119.30 116.90 1a5b s MET 282 Ca 0.00 -0.91 -0.11 0.00 -1.03 0.00 0.00 55.69 53.63 1a5b s MET 282 Cb 0.00 0.37 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 1a5b s MET 282 CO 0.00 -0.31 0.20 0.21 -2.03 0.00 0.00 175.02 173.09 1a5b s LYS 283 N -3.85 3.72 0.09 3.16 2.20 0.20 -1.68 119.74 123.58 1a5b s LYS 283 Ca 0.05 -0.48 -0.26 0.00 -0.36 0.00 0.00 55.97 54.92 1a5b s LYS 283 Cb 0.04 -3.69 0.08 0.00 -1.51 0.00 0.00 37.83 32.75 1a5b s LYS 283 CO -0.11 -0.30 0.80 0.00 -0.36 0.00 0.00 175.35 175.38 1a5b s ALA 284 N 1.73 -1.68 0.41 3.13 0.00 -0.86 -1.32 121.76 123.17 1a5b s ALA 284 Ca 0.06 0.60 -0.27 0.00 0.00 0.00 0.00 51.96 52.35 1a5b s ALA 284 Cb -0.17 0.63 -0.10 0.00 0.00 0.00 0.00 23.12 23.49 1a5b s ALA 284 CO 0.10 -0.80 1.46 -2.14 0.00 0.00 0.00 175.76 174.38 1a5b s PRO 285 N -3.41 3.92 0.23 0.00 0.02 -1.26 -1.13 135.00 133.37 1a5b s PRO 285 Ca 0.05 2.50 -0.14 0.00 0.02 0.00 0.00 61.00 63.44 1a5b s PRO 285 Cb -0.01 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.68 1a5b s PRO 285 CO -0.07 -0.66 0.49 0.00 -0.33 0.00 0.00 177.00 176.43 1a5b s MET 286 N -2.25 1.50 -0.46 5.54 0.23 -0.54 -3.64 119.30 119.67 1a5b s MET 286 Ca 0.56 -1.14 -0.24 0.00 -1.03 0.00 0.00 55.69 53.85 1a5b s MET 286 Cb -0.45 0.49 0.03 0.00 -1.53 0.00 0.00 34.83 33.36 1a5b s MET 286 CO 0.60 -0.63 0.82 1.41 -2.03 0.00 0.00 175.02 175.19 1a5b s MET 287 N -3.97 3.42 0.04 3.16 1.75 -0.22 -2.31 119.30 121.16 1a5b s MET 287 Ca 0.18 -0.08 -0.10 0.00 -1.25 0.00 0.00 55.69 54.44 1a5b s MET 287 Cb -0.01 -3.95 0.01 0.00 2.84 0.00 0.00 34.83 33.72 1a5b s MET 287 CO 0.05 -1.17 0.21 1.14 -0.65 0.00 0.00 175.02 174.60 1a5b s GLN 288 N 3.42 0.71 0.97 4.11 -2.07 -1.26 0.69 119.66 126.23 1a5b s GLN 288 Ca 0.31 -0.62 -0.13 0.00 -1.82 0.00 0.00 55.36 53.10 1a5b s GLN 288 Cb -0.12 0.29 0.17 0.00 -1.09 0.00 0.00 33.01 32.27 1a5b s GLN 288 CO 0.23 -0.21 1.14 0.95 -1.32 0.00 0.00 175.29 176.08 1a5b s THR 289 N -2.57 1.95 0.33 3.63 -4.23 0.69 -4.85 115.64 110.60 1a5b s THR 289 Ca -0.05 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.50 1a5b s THR 289 Cb -0.01 -2.69 0.29 0.00 1.34 0.00 0.00 72.50 71.44 1a5b s THR 289 CO -0.04 0.00 1.92 0.00 -0.54 0.00 0.00 174.62 175.96 1a5b h ALA 290 N -1.72 1.65 -0.36 3.99 0.00 -2.02 -2.55 119.26 118.25 1a5b h ALA 290 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1a5b h ALA 290 Cb 1.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1a5b h ALA 290 CO 0.56 0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 1a5b n ASP 291 N -4.50 3.52 0.00 0.00 5.68 -1.26 -4.92 116.55 115.07 1a5b n ASP 291 Ca 0.13 -2.45 0.00 0.00 -0.50 0.00 0.00 54.79 51.98 1a5b n ASP 291 Cb 0.27 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.70 1a5b n ASP 291 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a5b n GLY 292 N 0.52 0.74 3.69 6.12 0.00 -0.96 -5.06 105.19 110.24 1a5b n GLY 292 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1a5b n GLY 292 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a5b s GLN 293 N -0.59 4.40 0.24 1.61 -1.52 -1.26 -4.82 119.66 117.72 1a5b s GLN 293 Ca 0.00 1.12 -0.30 0.00 -1.95 0.00 0.00 55.36 54.23 1a5b s GLN 293 Cb 0.00 -3.52 -0.10 0.00 -0.22 0.00 0.00 33.01 29.17 1a5b s GLN 293 CO 0.00 -0.18 1.47 0.42 -0.25 0.00 0.00 175.29 176.75 1a5b s ILE 294 N 1.60 2.62 0.38 1.08 -1.09 -1.26 -0.22 121.20 124.31 1a5b s ILE 294 Ca 0.42 0.51 0.08 0.00 -2.23 0.00 0.00 60.65 59.43 1a5b s ILE 294 Cb -0.18 -3.32 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1a5b s ILE 294 CO 0.18 0.07 0.39 -1.61 -1.23 0.00 0.00 174.94 172.74 1a5b s GLU 295 N -0.12 2.70 0.12 2.79 2.02 0.22 -4.85 118.70 121.58 1a5b s GLU 295 Ca 0.61 -1.36 -0.11 0.00 0.02 0.00 0.00 54.97 54.13 1a5b s GLU 295 Cb -0.42 -2.52 -0.06 0.00 0.10 0.00 0.00 34.13 31.22 1a5b s GLU 295 CO 0.41 -0.09 0.47 -1.21 0.02 0.00 0.00 175.26 174.86 1a5b s GLU 296 N -4.13 3.83 0.48 1.61 2.02 -1.26 -4.69 118.70 116.55 1a5b s GLU 296 Ca 0.47 0.28 -0.04 0.00 0.02 0.00 0.00 54.97 55.69 1a5b s GLU 296 Cb -0.06 -2.92 -0.03 0.00 0.10 0.00 0.00 34.13 31.22 1a5b s GLU 296 CO 0.29 0.50 0.76 -1.12 0.02 0.00 0.00 175.26 175.71 1a5b s SER 297 N -1.86 6.17 0.02 -0.19 0.01 -1.26 -4.90 113.70 111.69 1a5b s SER 297 Ca 0.37 0.81 0.04 0.00 1.31 0.00 0.00 55.95 58.47 1a5b s SER 297 Cb -0.14 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 1a5b s SER 297 CO 0.19 -0.61 -0.11 -0.47 0.41 0.00 0.00 173.24 172.65 1a5b s TYR 298 N -2.71 0.97 -0.22 2.43 5.04 0.31 -4.88 117.35 118.29 1a5b s TYR 298 Ca 0.47 -0.30 -0.29 0.00 -2.44 0.00 0.00 57.07 54.52 1a5b s TYR 298 Cb -0.10 -0.59 0.15 0.00 0.35 0.00 0.00 41.96 41.77 1a5b s TYR 298 CO 0.43 -0.00 1.14 0.45 -1.34 0.00 0.00 175.55 176.23 1a5b s SER 299 N -0.85 -0.26 0.52 4.32 0.15 -1.26 -1.92 113.70 114.40 1a5b s SER 299 Ca 0.00 0.33 0.16 0.00 0.70 0.00 0.00 55.95 57.15 1a5b s SER 299 Cb -0.06 0.28 1.27 0.00 -1.71 0.00 0.00 66.02 65.79 1a5b s SER 299 CO 0.00 -0.20 2.14 -0.29 1.20 0.00 0.00 173.24 176.09 1a5b h ILE 300 N 2.58 0.98 -3.75 6.45 6.09 -1.95 -3.38 117.51 124.54 1a5b h ILE 300 Ca -0.17 -0.00 -0.66 0.00 -1.37 0.00 0.00 64.86 62.65 1a5b h ILE 300 Cb 1.17 0.97 -0.19 0.00 0.47 0.00 0.00 36.82 39.24 1a5b h ILE 300 CO 0.25 0.00 -0.51 -0.94 -3.07 0.00 0.00 178.15 173.88 1a5b s SER 301 N -7.00 5.90 0.49 2.19 1.04 -1.26 -4.97 113.70 110.09 1a5b s SER 301 Ca -0.05 -0.32 0.16 0.00 0.48 0.00 0.00 55.95 56.22 1a5b s SER 301 Cb 0.17 -2.10 1.18 0.00 0.10 0.00 0.00 66.02 65.38 1a5b s SER 301 CO 0.68 -0.17 2.08 0.00 0.98 0.00 0.00 173.24 176.82 1a5b h ALA 302 N 8.42 2.03 0.00 5.32 0.00 -1.99 -2.19 119.26 130.84 1a5b h ALA 302 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1a5b h ALA 302 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1a5b h ALA 302 CO 0.60 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1a5b n GLY 303 N -1.54 -0.61 0.19 0.00 0.00 -1.26 -1.88 105.19 100.08 1a5b n GLY 303 Ca 0.02 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1a5b n GLY 303 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a5b n LEU 304 N -1.36 2.48 -1.64 0.99 4.77 -0.82 -4.68 117.00 116.73 1a5b n LEU 304 Ca 0.03 -2.68 -0.11 0.00 -0.03 0.00 0.00 56.01 53.22 1a5b n LEU 304 Cb 0.07 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 40.91 1a5b n LEU 304 CO 0.06 0.64 0.99 0.47 -1.33 0.00 0.00 177.39 178.22 1a5b n ASP 305 N -0.91 4.78 -4.71 -1.43 9.92 -0.79 -4.83 116.55 118.59 1a5b n ASP 305 Ca 0.12 -2.77 -0.39 0.00 -0.53 0.00 0.00 54.79 51.21 1a5b n ASP 305 Cb 0.54 -0.85 -0.05 0.00 -0.64 0.00 0.00 41.12 40.12 1a5b n ASP 305 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1a5b s PHE 306 N -1.34 3.54 -1.10 1.24 5.36 -1.26 -4.40 117.98 120.02 1a5b s PHE 306 Ca 0.23 1.16 0.12 0.00 -0.96 0.00 0.00 56.93 57.48 1a5b s PHE 306 Cb 0.19 -2.77 0.54 0.00 -0.34 0.00 0.00 43.02 40.64 1a5b s PHE 306 CO 0.02 0.07 1.37 -2.30 -1.46 0.00 0.00 175.22 172.92 1a5b n PRO 307 N 3.92 0.04 -1.41 10.12 -0.02 -1.26 -4.75 135.00 141.64 1a5b n PRO 307 Ca -0.02 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1a5b n PRO 307 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1a5b n PRO 307 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1a5b n SER 308 N -1.45 0.51 -3.94 2.55 2.88 -1.26 -1.05 113.62 111.86 1a5b n SER 308 Ca 0.04 -0.71 -0.09 0.00 -1.33 0.00 0.00 58.87 56.78 1a5b n SER 308 Cb 0.13 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.51 1a5b n SER 308 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1a5b s VAL 309 N -1.38 0.16 0.50 2.46 -7.23 -1.24 -4.70 120.40 108.97 1a5b s VAL 309 Ca 0.00 -1.30 -0.23 0.00 -1.81 0.00 0.00 61.98 58.64 1a5b s VAL 309 Cb 0.00 -1.22 -0.07 0.00 0.56 0.00 0.00 36.38 35.65 1a5b s VAL 309 CO 0.00 -0.72 1.25 0.61 -0.31 0.00 0.00 175.10 175.94 1a5b n GLY 310 N 0.29 0.48 0.36 2.32 0.00 -0.11 -4.73 105.19 103.81 1a5b n GLY 310 Ca -0.16 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 1a5b n GLY 310 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a5b h PRO 311 N 1.58 1.22 0.00 1.61 0.11 -1.88 -2.56 132.00 132.07 1a5b h PRO 311 Ca -0.49 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.50 1a5b h PRO 311 Cb 1.31 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1a5b h PRO 311 CO 0.57 0.81 -0.21 0.37 -0.21 0.00 0.00 178.00 179.33 1a5b h GLN 312 N 1.26 0.00 -0.07 1.05 4.15 -1.89 -2.02 115.11 117.60 1a5b h GLN 312 Ca 0.38 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.68 1a5b h GLN 312 Cb -0.05 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.64 1a5b h GLN 312 CO -0.11 0.21 -0.40 0.45 -1.93 0.00 0.00 178.83 177.06 1a5b h HIS 313 N 0.00 0.53 -0.63 3.99 3.86 -1.83 -0.48 115.15 120.58 1a5b h HIS 313 Ca -0.00 -0.24 0.03 0.00 -1.16 0.00 0.00 60.37 59.00 1a5b h HIS 313 Cb 0.44 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 1a5b h HIS 313 CO 0.00 1.00 0.42 0.00 0.86 0.00 0.00 177.93 180.21 1a5b h ALA 314 N 0.42 1.65 -0.03 2.45 0.00 -1.35 -0.83 119.26 121.57 1a5b h ALA 314 Ca -0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1a5b h ALA 314 Cb 1.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1a5b h ALA 314 CO 0.08 0.28 -0.15 -0.92 0.00 0.00 0.00 179.25 178.55 1a5b h TYR 315 N 0.75 0.21 -0.50 0.00 3.20 -1.34 -1.97 116.97 117.32 1a5b h TYR 315 Ca 0.25 -0.09 0.09 0.00 3.14 0.00 0.00 58.73 62.12 1a5b h TYR 315 Cb 0.07 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1a5b h TYR 315 CO -0.00 0.79 0.34 -0.07 -1.64 0.00 0.00 178.16 177.58 1a5b h LEU 316 N -0.43 0.27 -0.00 2.82 3.38 -0.65 -2.02 115.31 118.67 1a5b h LEU 316 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1a5b h LEU 316 Cb 0.81 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1a5b h LEU 316 CO 0.03 0.17 -0.00 -1.13 0.09 0.00 0.00 178.44 177.59 1a5b h ASN 317 N 0.30 0.01 -0.92 -0.43 -1.24 -1.13 0.08 115.58 112.25 1a5b h ASN 317 Ca 0.23 -0.60 0.16 0.00 0.71 0.00 0.00 56.30 56.80 1a5b h ASN 317 Cb 0.51 -0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.46 1a5b h ASN 317 CO -0.05 0.61 0.52 0.77 -1.29 0.00 0.00 177.43 177.99 1a5b h SER 318 N -0.59 0.66 -0.05 1.15 4.64 -0.64 0.19 113.55 118.90 1a5b h SER 318 Ca -0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1a5b h SER 318 Cb 0.61 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1a5b h SER 318 CO 0.00 0.26 0.00 2.30 -0.87 0.00 0.00 176.83 178.52 1a5b n ILE 319 N -4.81 0.06 -1.20 0.95 -5.35 -0.95 -4.93 119.36 103.12 1a5b n ILE 319 Ca 0.20 -0.20 -0.07 0.00 -0.27 0.00 0.00 62.75 62.41 1a5b n ILE 319 Cb 0.48 0.16 -0.03 0.00 -1.74 0.00 0.00 39.64 38.52 1a5b n ILE 319 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a5b n GLY 320 N 1.08 0.90 0.14 3.28 0.00 0.67 -4.93 105.19 106.32 1a5b n GLY 320 Ca 0.18 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 1a5b n GLY 320 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1a5b h ARG 321 N 0.01 0.49 -6.73 1.61 1.12 -1.21 -3.46 114.38 106.22 1a5b h ARG 321 Ca -0.14 -0.84 -0.66 0.00 -1.11 0.00 0.00 59.98 57.23 1a5b h ARG 321 Cb 0.45 0.31 -0.21 0.00 -0.01 0.00 0.00 29.97 30.51 1a5b h ARG 321 CO 0.20 1.40 -0.85 0.00 -3.11 0.00 0.00 179.97 177.61 1a5b s ALA 322 N -2.60 2.31 -0.00 2.80 0.00 -0.90 -4.41 121.76 118.95 1a5b s ALA 322 Ca -0.09 -1.46 0.06 0.00 0.00 0.00 0.00 51.96 50.47 1a5b s ALA 322 Cb 0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1a5b s ALA 322 CO 0.93 0.49 -0.19 -0.51 0.00 0.00 0.00 175.76 176.48 1a5b s ASP 323 N -2.14 3.70 -0.01 0.00 1.01 -0.05 -4.17 116.67 115.00 1a5b s ASP 323 Ca 0.14 -0.36 0.07 0.00 0.71 0.00 0.00 52.55 53.11 1a5b s ASP 323 Cb -0.10 -0.63 -0.02 0.00 1.01 0.00 0.00 42.92 43.19 1a5b s ASP 323 CO 0.06 0.30 -0.22 -0.31 0.21 0.00 0.00 175.17 175.21 1a5b s TYR 324 N -0.78 1.99 0.35 4.23 1.51 -1.26 -0.54 117.35 122.84 1a5b s TYR 324 Ca 0.12 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 55.86 1a5b s TYR 324 Cb -0.10 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 1a5b s TYR 324 CO 0.02 -0.02 0.21 0.14 -1.11 0.00 0.00 175.55 174.80 1a5b s VAL 325 N -0.55 0.21 0.14 0.71 -7.23 -0.44 -4.96 120.40 108.28 1a5b s VAL 325 Ca 0.09 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.33 1a5b s VAL 325 Cb -0.09 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1a5b s VAL 325 CO -0.01 0.00 -0.16 -0.94 -0.31 0.00 0.00 175.10 173.68 1a5b s SER 326 N -3.44 2.27 -0.04 4.85 1.04 -1.26 -0.20 113.70 116.92 1a5b s SER 326 Ca 0.35 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1a5b s SER 326 Cb 0.03 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.07 1a5b s SER 326 CO 0.22 -0.09 -0.02 -0.63 0.98 0.00 0.00 173.24 173.69 1a5b s ILE 327 N -2.03 0.39 0.78 -1.02 -1.09 -0.88 -4.86 121.20 112.50 1a5b s ILE 327 Ca 0.11 -0.01 -0.11 0.00 -2.23 0.00 0.00 60.65 58.41 1a5b s ILE 327 Cb -0.06 -0.46 0.06 0.00 -1.58 0.00 0.00 42.46 40.42 1a5b s ILE 327 CO 0.04 0.21 1.09 -0.89 -1.23 0.00 0.00 174.94 174.16 1a5b s THR 328 N 1.13 3.32 0.21 2.92 2.01 -1.26 -0.57 115.64 123.39 1a5b s THR 328 Ca -0.08 0.43 -0.10 0.00 0.31 0.00 0.00 61.69 62.25 1a5b s THR 328 Cb -0.14 -2.95 0.14 0.00 0.01 0.00 0.00 72.50 69.56 1a5b s THR 328 CO -0.01 -0.56 1.77 0.44 -0.69 0.00 0.00 174.62 175.57 1a5b h ASP 329 N -1.14 0.36 -0.87 3.53 3.32 -1.49 -0.16 116.42 119.96 1a5b h ASP 329 Ca -0.44 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 1a5b h ASP 329 Cb 1.24 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 1a5b h ASP 329 CO 0.52 0.22 0.50 0.44 -1.72 0.00 0.00 179.24 179.21 1a5b h ASP 330 N 0.51 1.08 -0.28 6.45 3.32 -1.93 0.13 116.42 125.69 1a5b h ASP 330 Ca 0.30 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 1a5b h ASP 330 Cb 0.30 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1a5b h ASP 330 CO -0.25 0.85 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.40 1a5b h GLU 331 N 1.22 0.83 -0.57 3.56 5.08 -1.72 -2.12 114.58 120.85 1a5b h GLU 331 Ca 0.31 -0.43 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1a5b h GLU 331 Cb -0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1a5b h GLU 331 CO -0.05 1.07 0.02 0.00 -1.00 0.00 0.00 179.01 179.04 1a5b h ALA 332 N 0.88 0.77 -0.57 3.43 0.00 -0.55 -1.99 119.26 121.23 1a5b h ALA 332 Ca 0.06 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1a5b h ALA 332 Cb 0.95 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1a5b h ALA 332 CO 0.09 0.59 0.17 -0.07 0.00 0.00 0.00 179.25 180.03 1a5b h LEU 333 N 0.89 0.81 -0.27 0.00 4.07 -0.67 -1.22 115.31 118.93 1a5b h LEU 333 Ca 0.16 -0.13 -0.07 0.00 0.08 0.00 0.00 57.88 57.92 1a5b h LEU 333 Cb 0.53 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 1a5b h LEU 333 CO 0.03 0.77 -0.09 -0.08 -1.08 0.00 0.00 178.44 177.99 1a5b h GLU 334 N 0.84 0.53 -0.40 1.13 4.22 -1.17 -1.97 114.58 117.76 1a5b h GLU 334 Ca 0.19 -0.22 -0.03 0.00 0.08 0.00 0.00 59.36 59.38 1a5b h GLU 334 Cb 0.26 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1a5b h GLU 334 CO -0.01 0.76 0.12 0.00 -2.18 0.00 0.00 179.01 177.70 1a5b h ALA 335 N 0.76 1.45 0.42 2.92 0.00 -1.12 -0.36 119.26 123.34 1a5b h ALA 335 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1a5b h ALA 335 Cb 0.58 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1a5b h ALA 335 CO 0.03 0.41 -0.20 0.35 0.00 0.00 0.00 179.25 179.84 1a5b h PHE 336 N 0.58 -0.53 -0.66 0.00 3.04 -1.04 -1.53 116.94 116.80 1a5b h PHE 336 Ca 0.14 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.04 1a5b h PHE 336 Cb 0.19 0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.85 1a5b h PHE 336 CO 0.01 -0.27 0.26 0.87 -2.02 0.00 0.00 178.31 177.16 1a5b h LYS 337 N -0.67 0.99 -0.70 1.11 1.57 -1.13 -2.44 116.57 115.30 1a5b h LYS 337 Ca -0.06 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1a5b h LYS 337 Cb 0.49 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1a5b h LYS 337 CO 0.10 0.83 0.43 1.15 -0.57 0.00 0.00 179.45 181.38 1a5b h THR 338 N 0.93 1.19 -0.53 -0.16 2.02 -1.03 -2.04 112.91 113.29 1a5b h THR 338 Ca 0.22 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 1a5b h THR 338 Cb 0.21 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1a5b h THR 338 CO -0.02 0.20 -0.02 0.25 0.37 0.00 0.00 175.52 176.30 1a5b h LEU 339 N 0.95 0.94 0.64 2.58 5.85 -1.11 -1.97 115.31 123.19 1a5b h LEU 339 Ca 0.25 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1a5b h LEU 339 Cb -0.05 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 1a5b h LEU 339 CO -0.05 1.03 -0.50 0.00 -0.34 0.00 0.00 178.44 178.59 1a5b h ARG 341 N -1.10 0.40 0.00 0.00 2.43 -1.39 0.75 114.38 115.46 1a5b h ARG 341 Ca -0.08 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 58.93 1a5b h ARG 341 Cb 0.92 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1a5b h ARG 341 CO 0.02 0.45 -1.71 0.72 -1.51 0.00 0.00 179.97 177.94 1a5b n HIS 342 N -4.30 0.39 -0.28 2.20 8.25 -0.74 -4.59 115.22 116.16 1a5b n HIS 342 Ca 0.01 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1a5b n HIS 342 Cb 0.24 -0.77 0.00 0.00 1.12 0.00 0.00 29.99 30.58 1a5b n HIS 342 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1a5b n GLU 343 N -2.52 1.23 -2.74 -0.41 -0.58 -0.51 -4.69 120.64 110.42 1a5b n GLU 343 Ca -0.08 -0.14 -0.18 0.00 -0.42 0.00 0.00 57.16 56.35 1a5b n GLU 343 Cb 0.68 -0.53 0.02 0.00 -0.57 0.00 0.00 31.44 31.04 1a5b n GLU 343 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a5b n GLY 344 N 0.22 -0.29 3.11 0.62 0.00 0.26 -5.00 105.19 104.10 1a5b n GLY 344 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1a5b n GLY 344 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5b s ILE 345 N -3.00 1.77 -0.58 -0.61 1.01 -1.22 -4.99 121.20 113.57 1a5b s ILE 345 Ca 0.19 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 59.83 1a5b s ILE 345 Cb -0.08 -1.59 0.08 0.00 0.01 0.00 0.00 42.46 40.88 1a5b s ILE 345 CO 0.23 0.49 0.76 -0.63 0.00 0.00 0.00 174.94 175.79 1a5b s ILE 346 N 0.91 4.70 0.40 2.92 -1.09 -1.26 -2.77 121.20 125.00 1a5b s ILE 346 Ca -0.07 -0.66 -0.14 0.00 -2.23 0.00 0.00 60.65 57.54 1a5b s ILE 346 Cb -0.15 -4.49 -0.08 0.00 -1.58 0.00 0.00 42.46 36.15 1a5b s ILE 346 CO -0.02 -1.13 0.83 -2.16 -1.23 0.00 0.00 174.94 171.23 1a5b s PRO 347 N 3.06 3.94 0.59 2.79 0.04 -1.26 -1.33 135.00 142.82 1a5b s PRO 347 Ca 0.16 0.71 -0.18 0.00 0.04 0.00 0.00 61.00 61.73 1a5b s PRO 347 Cb -0.21 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 1a5b s PRO 347 CO 0.09 -0.02 1.16 0.00 0.04 0.00 0.00 177.00 178.27 1a5b s ALA 348 N -2.28 2.57 0.60 8.56 0.00 -0.76 -3.08 121.76 127.36 1a5b s ALA 348 Ca 0.55 0.84 0.34 0.00 0.00 0.00 0.00 51.96 53.69 1a5b s ALA 348 Cb -0.10 -3.39 1.97 0.00 0.00 0.00 0.00 23.12 21.60 1a5b s ALA 348 CO 0.25 -1.06 2.28 -0.07 0.00 0.00 0.00 175.76 177.15 1a5b h LEU 349 N 0.79 0.00 0.21 0.00 3.38 -1.91 -1.03 115.31 116.75 1a5b h LEU 349 Ca -0.49 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1a5b h LEU 349 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1a5b h LEU 349 CO 0.55 0.01 -0.10 -0.33 0.09 0.00 0.00 178.44 178.66 1a5b h GLU 350 N 0.00 -0.27 0.00 1.13 3.07 -1.94 -3.15 114.58 113.42 1a5b h GLU 350 Ca -0.00 0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 1a5b h GLU 350 Cb 0.03 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1a5b h GLU 350 CO 0.00 0.10 -0.16 0.77 -1.40 0.00 0.00 179.01 178.32 1a5b h SER 351 N -0.74 0.00 0.12 1.42 0.02 -1.74 -2.55 113.55 110.08 1a5b h SER 351 Ca -0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1a5b h SER 351 Cb 0.50 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1a5b h SER 351 CO 0.05 0.16 -0.03 0.28 -1.14 0.00 0.00 176.83 176.15 1a5b h SER 352 N 0.00 0.00 -0.09 3.07 0.02 -1.16 -1.31 113.55 114.08 1a5b h SER 352 Ca -0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1a5b h SER 352 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1a5b h SER 352 CO 0.02 0.03 -0.63 0.45 -1.14 0.00 0.00 176.83 175.55 1a5b h HIS 353 N 0.00 0.91 -0.24 3.45 3.86 -1.51 0.48 115.15 122.10 1a5b h HIS 353 Ca -0.00 -0.35 -0.17 0.00 -1.16 0.00 0.00 60.37 58.69 1a5b h HIS 353 Cb 0.09 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1a5b h HIS 353 CO 0.00 1.15 -0.50 0.00 0.86 0.00 0.00 177.93 179.44 1a5b h ALA 354 N 0.77 0.39 -0.19 2.45 0.00 -1.41 -2.74 119.26 118.52 1a5b h ALA 354 Ca -0.01 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1a5b h ALA 354 Cb 1.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1a5b h ALA 354 CO 0.13 0.57 -0.08 1.25 0.00 0.00 0.00 179.25 181.11 1a5b h LEU 355 N 0.51 0.40 -1.41 0.00 5.85 -1.30 -2.66 115.31 116.70 1a5b h LEU 355 Ca 0.01 -0.40 0.21 0.00 0.84 0.00 0.00 57.88 58.53 1a5b h LEU 355 Cb 1.11 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.95 1a5b h LEU 355 CO 0.11 0.71 0.61 0.00 -0.34 0.00 0.00 178.44 179.53 1a5b h ALA 356 N 0.70 2.11 -0.17 1.25 0.00 -0.92 0.10 119.26 122.34 1a5b h ALA 356 Ca 0.04 0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 1a5b h ALA 356 Cb 0.55 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1a5b h ALA 356 CO 0.03 -0.42 -0.75 1.25 0.00 0.00 0.00 179.25 179.36 1a5b h HIS 357 N 0.48 1.07 -0.60 0.00 -0.00 -1.36 -2.21 115.15 112.53 1a5b h HIS 357 Ca 0.50 -0.46 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 1a5b h HIS 357 Cb 1.14 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 28.36 1a5b h HIS 357 CO -0.00 1.30 0.29 0.00 -0.00 0.00 0.00 177.93 179.51 1a5b h ALA 358 N 0.56 1.38 -0.45 5.26 0.00 -0.55 -0.76 119.26 124.71 1a5b h ALA 358 Ca -0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1a5b h ALA 358 Cb 1.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1a5b h ALA 358 CO 0.16 0.49 -0.14 -0.07 0.00 0.00 0.00 179.25 179.68 1a5b h LEU 359 N 0.84 0.83 -0.09 0.00 3.38 -0.85 -2.17 115.31 117.26 1a5b h LEU 359 Ca 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1a5b h LEU 359 Cb 0.09 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1a5b h LEU 359 CO -0.03 0.97 0.03 0.50 0.09 0.00 0.00 178.44 180.00 1a5b h LYS 360 N 0.74 0.13 -0.93 1.13 3.64 -0.70 0.10 116.57 120.69 1a5b h LYS 360 Ca 0.12 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.58 1a5b h LYS 360 Cb 0.65 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.37 1a5b h LYS 360 CO 0.05 0.29 0.57 0.52 -2.27 0.00 0.00 179.45 178.60 1a5b h MET 361 N -0.05 0.88 0.46 1.90 2.86 -1.07 -0.48 114.93 119.44 1a5b h MET 361 Ca 0.03 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1a5b h MET 361 Cb 0.21 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1a5b h MET 361 CO -0.00 0.58 -0.22 1.98 1.06 0.00 0.00 176.91 180.31 1a5b h MET 362 N 0.91 -0.60 -0.37 1.72 1.85 -1.12 -3.21 114.93 114.11 1a5b h MET 362 Ca 0.46 0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.59 1a5b h MET 362 Cb 0.44 0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.59 1a5b h MET 362 CO -0.26 -0.34 0.24 0.00 -0.40 0.00 0.00 176.91 176.15 1a5b h ARG 363 N -1.10 0.49 0.00 0.39 3.08 -0.65 -1.00 114.38 115.60 1a5b h ARG 363 Ca -0.06 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 1a5b h ARG 363 Cb 0.54 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1a5b h ARG 363 CO 0.10 0.33 -0.59 0.93 -1.07 0.00 0.00 179.97 179.68 1a5b h GLU 364 N 0.51 0.00 -2.01 0.04 5.08 -1.21 -3.36 114.58 113.63 1a5b h GLU 364 Ca 0.14 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.93 1a5b h GLU 364 Cb -0.05 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.81 1a5b h GLU 364 CO -0.03 0.59 -1.08 1.04 -1.00 0.00 0.00 179.01 178.54 1a5b n GLN 365 N -3.63 0.83 0.04 2.33 6.02 -0.90 -4.98 117.38 117.08 1a5b n GLN 365 Ca -0.01 -3.32 0.21 0.00 -0.01 0.00 0.00 57.00 53.88 1a5b n GLN 365 Cb 0.63 -1.28 0.73 0.00 1.02 0.00 0.00 30.24 31.35 1a5b n GLN 365 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1a5b h PRO 366 N 4.01 0.00 -0.72 -1.09 0.11 -1.35 -0.87 132.00 132.08 1a5b h PRO 366 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1a5b h PRO 366 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1a5b h PRO 366 CO 0.49 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.67 1a5b n GLU 367 N -3.96 2.98 -3.15 1.05 -0.58 -1.26 -0.51 120.64 115.21 1a5b n GLU 367 Ca 0.09 -2.73 -0.40 0.00 -0.42 0.00 0.00 57.16 53.70 1a5b n GLU 367 Cb 0.64 -1.65 -0.06 0.00 -0.57 0.00 0.00 31.44 29.80 1a5b n GLU 367 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1a5b s LYS 368 N -1.20 4.25 -0.21 3.49 2.20 -0.33 -4.85 119.74 123.08 1a5b s LYS 368 Ca 0.50 0.60 -0.28 0.00 -0.36 0.00 0.00 55.97 56.43 1a5b s LYS 368 Cb 0.28 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1a5b s LYS 368 CO 0.32 -0.14 0.97 -2.00 -0.36 0.00 0.00 175.35 174.13 1a5b s GLU 369 N 1.59 4.27 -0.19 4.03 2.12 -1.26 -3.89 118.70 125.38 1a5b s GLU 369 Ca 0.29 1.24 -0.13 0.00 0.36 0.00 0.00 54.97 56.73 1a5b s GLU 369 Cb -0.16 -3.62 0.06 0.00 0.26 0.00 0.00 34.13 30.67 1a5b s GLU 369 CO 0.11 -0.53 0.48 1.14 -0.54 0.00 0.00 175.26 175.93 1a5b s GLN 370 N 2.84 0.51 -0.46 4.30 -2.07 -1.10 -5.00 119.66 118.68 1a5b s GLN 370 Ca 0.42 0.81 -0.16 0.00 -1.82 0.00 0.00 55.36 54.62 1a5b s GLN 370 Cb -0.16 0.11 0.05 0.00 -1.09 0.00 0.00 33.01 31.93 1a5b s GLN 370 CO 0.09 -0.12 0.39 -1.17 -1.32 0.00 0.00 175.29 173.15 1a5b s LEU 371 N 1.01 5.40 0.10 2.60 0.20 -1.26 -0.95 118.68 125.77 1a5b s LEU 371 Ca -0.06 -1.15 0.06 0.00 0.69 0.00 0.00 54.13 53.67 1a5b s LEU 371 Cb -0.06 -2.21 -0.04 0.00 -0.43 0.00 0.00 46.19 43.45 1a5b s LEU 371 CO -0.09 -0.61 -0.05 -0.76 -0.29 0.00 0.00 176.35 174.55 1a5b s LEU 372 N 1.75 3.24 -0.08 -0.68 1.43 0.24 0.19 118.68 124.77 1a5b s LEU 372 Ca 0.06 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1a5b s LEU 372 Cb -0.22 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.02 1a5b s LEU 372 CO 0.08 0.18 -0.08 -0.69 0.23 0.00 0.00 176.35 176.07 1a5b s VAL 373 N -1.26 0.94 -0.15 -1.59 1.01 -0.87 -0.96 120.40 117.52 1a5b s VAL 373 Ca 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1a5b s VAL 373 Cb -0.11 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1a5b s VAL 373 CO 0.16 0.33 -0.04 -0.69 0.00 0.00 0.00 175.10 174.86 1a5b s VAL 374 N 1.25 3.89 -0.57 2.92 1.01 -0.06 -0.64 120.40 128.19 1a5b s VAL 374 Ca -0.04 -0.36 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 1a5b s VAL 374 Cb -0.14 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1a5b s VAL 374 CO -0.03 0.50 1.12 0.21 0.00 0.00 0.00 175.10 176.91 1a5b s ASN 375 N 0.30 6.42 -1.23 3.32 2.47 -0.20 -1.08 114.94 124.94 1a5b s ASN 375 Ca -0.04 -0.01 -0.15 0.00 0.42 0.00 0.00 52.86 53.09 1a5b s ASN 375 Cb -0.14 -2.52 0.14 0.00 -1.45 0.00 0.00 41.25 37.28 1a5b s ASN 375 CO 0.03 -1.41 1.52 -0.22 -3.72 0.00 0.00 177.10 173.30 1a5b s LEU 376 N 4.67 4.68 0.56 3.21 1.98 -0.41 -4.73 118.68 128.65 1a5b s LEU 376 Ca 0.40 -2.81 0.32 0.00 -2.89 0.00 0.00 54.13 49.14 1a5b s LEU 376 Cb -0.09 -2.45 1.73 0.00 0.66 0.00 0.00 46.19 46.04 1a5b s LEU 376 CO 0.24 -0.88 1.96 0.77 -1.89 0.00 0.00 176.35 176.55 1a5b h SER 377 N 7.32 0.00 -5.58 3.68 4.64 -1.90 -1.27 113.55 120.45 1a5b h SER 377 Ca 0.35 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.93 1a5b h SER 377 Cb 0.88 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.88 1a5b h SER 377 CO 1.31 0.00 0.68 -0.83 -0.87 0.00 0.00 176.83 177.12 1a5b s GLY 378 N -3.78 -0.25 0.18 -0.77 0.00 -1.26 -0.86 107.32 100.57 1a5b s GLY 378 Ca -0.04 0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.98 1a5b s GLY 378 CO 0.29 0.88 0.35 1.09 0.00 0.00 0.00 173.10 175.71 1a5b s ARG 379 N -2.65 3.49 -0.24 2.90 1.70 -0.19 -1.83 118.95 122.13 1a5b s ARG 379 Ca 0.16 -0.43 0.14 0.00 -0.47 0.00 0.00 55.73 55.12 1a5b s ARG 379 Cb 0.01 -2.89 0.77 0.00 -0.57 0.00 0.00 34.95 32.28 1a5b s ARG 379 CO -0.00 0.44 1.71 0.41 -1.08 0.00 0.00 175.30 176.78 1a5b n GLY 380 N -0.62 3.26 0.37 3.88 0.00 -0.44 -3.91 105.19 107.73 1a5b n GLY 380 Ca -0.06 -0.96 0.11 0.00 0.00 0.00 0.00 46.02 45.12 1a5b n GLY 380 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a5b h ASP 381 N 3.49 0.69 0.56 1.61 5.19 -1.86 0.23 116.42 126.33 1a5b h ASP 381 Ca 0.04 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1a5b h ASP 381 Cb 1.95 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 41.37 1a5b h ASP 381 CO 0.49 0.35 -0.07 0.07 -3.12 0.00 0.00 179.24 176.96 1a5b h LYS 382 N 0.73 0.00 0.00 3.56 2.10 -1.98 -3.07 116.57 117.91 1a5b h LYS 382 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 1a5b h LYS 382 Cb 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1a5b h LYS 382 CO -0.22 0.07 -0.90 -0.25 -2.00 0.00 0.00 179.45 176.15 1a5b n ASP 383 N -3.31 0.69 -0.23 7.07 8.00 0.77 -4.47 116.55 125.07 1a5b n ASP 383 Ca -0.01 -0.49 0.19 0.00 0.71 0.00 0.00 54.79 55.19 1a5b n ASP 383 Cb 0.25 0.75 0.52 0.00 -0.02 0.00 0.00 41.12 42.61 1a5b n ASP 383 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1a5b h ILE 384 N 0.00 0.69 -0.23 0.53 3.07 -1.40 -0.25 117.51 119.93 1a5b h ILE 384 Ca 0.00 -0.14 -0.14 0.00 1.55 0.00 0.00 64.86 66.13 1a5b h ILE 384 Cb 0.59 0.26 0.00 0.00 -0.27 0.00 0.00 36.82 37.40 1a5b h ILE 384 CO 0.00 0.07 -0.41 -0.26 -1.05 0.00 0.00 178.15 176.50 1a5b h PHE 385 N 0.40 0.85 0.66 0.16 0.04 -1.82 0.38 116.94 117.61 1a5b h PHE 385 Ca 0.45 -0.30 -0.03 0.00 2.80 0.00 0.00 57.97 60.90 1a5b h PHE 385 Cb 1.14 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 39.12 1a5b h PHE 385 CO -0.00 1.07 -0.40 1.15 -0.60 0.00 0.00 178.31 179.53 1a5b h THR 386 N 0.39 0.20 -0.84 -1.55 2.02 -1.37 -0.03 112.91 111.73 1a5b h THR 386 Ca 0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.24 1a5b h THR 386 Cb 1.01 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1a5b h THR 386 CO 0.09 0.00 0.55 0.58 0.37 0.00 0.00 175.52 177.11 1a5b h VAL 387 N -0.99 1.10 -0.52 3.16 2.07 -1.30 -1.19 116.25 118.57 1a5b h VAL 387 Ca -0.08 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1a5b h VAL 387 Cb 0.80 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1a5b h VAL 387 CO 0.09 0.18 0.22 -0.74 0.02 0.00 0.00 177.57 177.34 1a5b h HIS 388 N 1.00 0.38 0.00 1.57 6.17 -0.34 0.97 115.15 124.90 1a5b h HIS 388 Ca 0.35 0.02 -0.09 0.00 0.71 0.00 0.00 60.37 61.36 1a5b h HIS 388 Cb 0.11 -0.09 -0.01 0.00 2.52 0.00 0.00 27.41 29.93 1a5b h HIS 388 CO -0.00 0.15 -0.42 -0.44 0.71 0.00 0.00 177.93 177.92 1a5b h ASP 389 N 0.42 0.00 0.68 3.26 5.19 0.19 -2.93 116.42 123.23 1a5b h ASP 389 Ca 0.25 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.42 1a5b h ASP 389 Cb 0.24 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 1a5b h ASP 389 CO -0.22 0.42 -1.07 0.40 -3.12 0.00 0.00 179.24 175.65 1a5b h ILE 390 N 0.00 1.54 -0.02 0.35 5.03 -0.75 -3.52 117.51 120.14 1a5b h ILE 390 Ca -0.00 -2.99 0.00 0.00 -0.12 0.00 0.00 64.86 61.75 1a5b h ILE 390 Cb 0.85 2.76 0.00 0.00 -3.03 0.00 0.00 36.82 37.41 1a5b h ILE 390 CO 0.06 0.87 0.00 0.18 -0.68 0.00 0.00 178.15 178.57