#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dby s ARG 4 N 0.00 4.50 0.31 5.31 0.52 -1.26 -5.06 118.95 123.28 3dby s ARG 4 Ca 0.00 1.25 0.09 0.00 -0.52 0.00 0.00 55.73 56.54 3dby s ARG 4 Cb 0.00 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.96 3dby s ARG 4 CO 0.00 -0.05 0.10 0.54 0.02 0.00 0.00 175.30 175.91 3dby s ASN 5 N 0.96 4.68 0.09 0.23 2.20 -1.26 -5.00 114.94 116.85 3dby s ASN 5 Ca 0.47 -0.71 -0.23 0.00 -0.94 0.00 0.00 52.86 51.45 3dby s ASN 5 Cb -0.20 -0.80 -0.14 0.00 -2.00 0.00 0.00 41.25 38.12 3dby s ASN 5 CO 0.24 -0.20 1.73 0.22 -2.94 0.00 0.00 177.10 176.15 3dby h TYR 6 N 1.64 -0.03 -0.21 1.54 3.20 -1.94 -1.30 116.97 119.87 3dby h TYR 6 Ca -0.44 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.45 3dby h TYR 6 Cb 1.25 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.51 3dby h TYR 6 CO 0.64 -0.02 0.07 1.49 -1.64 0.00 0.00 178.16 178.70 3dby h GLU 7 N -0.02 0.17 -0.15 1.82 4.57 -1.98 0.90 114.58 119.89 3dby h GLU 7 Ca 0.01 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.00 3dby h GLU 7 Cb 0.03 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3dby h GLU 7 CO -0.01 0.11 -0.57 0.93 -1.18 0.00 0.00 179.01 178.28 3dby h GLU 8 N 0.18 0.66 -0.02 1.92 5.08 -1.99 -1.84 114.58 118.56 3dby h GLU 8 Ca 0.09 -0.50 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3dby h GLU 8 Cb 0.06 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3dby h GLU 8 CO -0.09 1.12 0.01 1.03 -1.00 0.00 0.00 179.01 180.08 3dby h SER 9 N 0.33 0.02 0.19 1.42 0.87 -1.10 -1.16 113.55 114.12 3dby h SER 9 Ca -0.03 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 3dby h SER 9 Cb 1.20 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 3dby h SER 9 CO 0.12 0.10 -0.13 0.00 -0.53 0.00 0.00 176.83 176.39 3dby h ALA 10 N 0.92 -0.30 -0.41 6.23 0.00 -0.89 -0.00 119.26 124.80 3dby h ALA 10 Ca 0.01 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dby h ALA 10 Cb 0.08 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3dby h ALA 10 CO -0.00 -0.68 0.23 -0.07 0.00 0.00 0.00 179.25 178.73 3dby h LEU 11 N -0.32 0.37 -0.21 0.00 3.38 -1.31 -1.37 115.31 115.85 3dby h LEU 11 Ca -0.01 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3dby h LEU 11 Cb 0.28 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3dby h LEU 11 CO 0.01 0.26 0.03 0.15 0.09 0.00 0.00 178.44 178.98 3dby h PHE 12 N 0.47 0.06 -0.28 1.13 3.57 -1.03 -1.57 116.94 119.28 3dby h PHE 12 Ca 0.17 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3dby h PHE 12 Cb 0.03 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3dby h PHE 12 CO -0.08 0.01 0.03 0.93 -2.23 0.00 0.00 178.31 176.97 3dby h GLU 13 N 0.12 0.48 -0.13 1.11 4.39 -0.67 -0.99 114.58 118.88 3dby h GLU 13 Ca 0.10 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.69 3dby h GLU 13 Cb 0.10 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 3dby h GLU 13 CO -0.13 0.61 -0.12 0.45 -1.16 0.00 0.00 179.01 178.66 3dby h HIS 14 N 0.28 -0.30 -0.54 4.33 3.86 -1.22 -1.77 115.15 119.80 3dby h HIS 14 Ca 0.08 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.23 3dby h HIS 14 Cb 0.38 0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 3dby h HIS 14 CO 0.03 -0.18 0.02 1.96 0.86 0.00 0.00 177.93 180.62 3dby h GLN 15 N -0.14 0.90 0.57 2.45 4.20 -1.16 0.14 115.11 122.06 3dby h GLN 15 Ca 0.09 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 3dby h GLN 15 Cb 0.27 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 27.95 3dby h GLN 15 CO -0.21 0.88 -0.28 0.35 -0.67 0.00 0.00 178.83 178.91 3dby h PHE 16 N 0.84 -0.71 -0.02 2.96 3.57 -0.96 -2.81 116.94 119.81 3dby h PHE 16 Ca 0.16 -0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.48 3dby h PHE 16 Cb 0.47 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3dby h PHE 16 CO 0.03 -0.41 -0.73 -1.49 -2.23 0.00 0.00 178.31 173.48 3dby h TRP 17 N -0.87 0.20 0.01 0.41 4.06 -1.22 -1.35 115.95 117.20 3dby h TRP 17 Ca -0.08 -0.09 -0.20 0.00 2.06 0.00 0.00 58.89 60.58 3dby h TRP 17 Cb 0.63 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.74 3dby h TRP 17 CO -0.02 0.82 -0.93 -0.07 -3.56 0.00 0.00 178.44 174.69 3dby h LEU 18 N 0.10 0.12 -0.46 -4.49 3.38 -0.82 0.31 115.31 113.45 3dby h LEU 18 Ca -0.02 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 3dby h LEU 18 Cb 1.29 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3dby h LEU 18 CO 0.11 0.98 -0.17 0.50 0.09 0.00 0.00 178.44 179.95 3dby h LYS 19 N 0.04 0.92 -0.71 1.13 1.63 -1.38 -1.08 116.57 117.12 3dby h LYS 19 Ca -0.03 -0.38 0.03 0.00 -0.85 0.00 0.00 60.65 59.41 3dby h LYS 19 Cb 1.61 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 33.16 3dby h LYS 19 CO 0.13 1.04 0.45 0.28 -3.45 0.00 0.00 179.45 177.90 3dby h VAL 20 N 0.77 1.11 0.00 2.00 2.07 -1.12 -1.13 116.25 119.95 3dby h VAL 20 Ca 0.11 -0.30 -0.22 0.00 0.82 0.00 0.00 66.70 67.10 3dby h VAL 20 Cb 0.73 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3dby h VAL 20 CO 0.06 0.16 -0.94 -0.07 0.02 0.00 0.00 177.57 176.80 3dby h LEU 21 N 0.89 0.51 -0.21 2.57 3.38 -0.93 -1.46 115.31 120.05 3dby h LEU 21 Ca 0.28 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3dby h LEU 21 Cb -0.01 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 3dby h LEU 21 CO -0.10 1.21 -0.19 0.74 0.09 0.00 0.00 178.44 180.20 3dby h THR 22 N 0.22 0.50 -0.35 0.22 2.02 -1.04 -2.19 112.91 112.29 3dby h THR 22 Ca -0.08 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.17 3dby h THR 22 Cb 1.58 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 68.43 3dby h THR 22 CO 0.16 0.00 -0.01 0.44 0.37 0.00 0.00 175.52 176.48 3dby h ASP 23 N -0.20 -0.17 -0.35 4.18 3.45 -1.03 -0.55 116.42 121.76 3dby h ASP 23 Ca 0.13 0.08 0.05 0.00 0.43 0.00 0.00 57.03 57.72 3dby h ASP 23 Cb 0.38 0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 39.26 3dby h ASP 23 CO -0.33 -0.05 0.08 0.45 -1.57 0.00 0.00 179.24 177.82 3dby h HIS 24 N 0.08 0.13 -0.62 4.55 3.86 -1.11 0.25 115.15 122.30 3dby h HIS 24 Ca 0.17 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 3dby h HIS 24 Cb 0.24 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 3dby h HIS 24 CO -0.26 0.03 0.35 0.00 0.86 0.00 0.00 177.93 178.91 3dby h ALA 25 N 1.25 0.79 -0.72 2.45 0.00 -1.11 0.60 119.26 122.51 3dby h ALA 25 Ca 0.16 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3dby h ALA 25 Cb 0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3dby h ALA 25 CO -0.20 0.30 0.20 0.37 0.00 0.00 0.00 179.25 179.91 3dby h GLN 26 N 0.84 1.15 -0.20 0.00 5.75 -0.33 -0.55 115.11 121.76 3dby h GLN 26 Ca 0.22 -0.26 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 3dby h GLN 26 Cb 0.03 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 3dby h GLN 26 CO -0.04 0.99 -0.04 0.74 -2.65 0.00 0.00 178.83 177.84 3dby h PHE 27 N 1.09 0.41 -0.52 3.99 0.04 -0.07 -1.95 116.94 119.93 3dby h PHE 27 Ca 0.23 -0.09 0.06 0.00 2.80 0.00 0.00 57.97 60.97 3dby h PHE 27 Cb 0.35 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.34 3dby h PHE 27 CO 0.03 0.61 0.24 -0.07 -0.60 0.00 0.00 178.31 178.52 3dby h LEU 28 N 0.10 0.31 -0.47 1.54 3.38 -0.87 -2.00 115.31 117.30 3dby h LEU 28 Ca 0.05 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3dby h LEU 28 Cb 0.47 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3dby h LEU 28 CO 0.02 0.21 0.25 0.25 0.09 0.00 0.00 178.44 179.26 3dby h LEU 29 N 0.46 0.36 -0.69 1.67 5.85 -0.93 -2.21 115.31 119.82 3dby h LEU 29 Ca 0.24 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3dby h LEU 29 Cb 0.20 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3dby h LEU 29 CO -0.20 0.26 0.00 0.44 -0.34 0.00 0.00 178.44 178.60 3dby h ASP 30 N 0.49 0.00 0.29 1.25 3.45 -1.06 -3.14 116.42 117.70 3dby h ASP 30 Ca 0.20 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3dby h ASP 30 Cb 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 3dby h ASP 30 CO -0.13 0.00 -0.84 0.00 -1.57 0.00 0.00 179.24 176.70 3dby n ALA 31 N -2.00 3.95 -1.79 3.45 0.00 -0.78 -4.89 120.51 118.45 3dby n ALA 31 Ca 0.03 -0.46 -0.40 0.00 0.00 0.00 0.00 53.44 52.61 3dby n ALA 31 Cb 0.38 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.83 3dby n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dby s LEU 32 N -3.26 4.61 0.41 0.00 1.43 -0.95 0.04 118.68 120.96 3dby s LEU 32 Ca 0.08 2.05 -0.26 0.00 -1.03 0.00 0.00 54.13 54.97 3dby s LEU 32 Cb 0.16 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.68 3dby s LEU 32 CO 0.79 0.04 1.32 0.00 0.23 0.00 0.00 176.35 178.73 3dby s ALA 33 N -1.09 3.25 0.56 4.21 0.00 -0.89 -4.87 121.76 122.93 3dby s ALA 33 Ca 0.43 1.26 0.31 0.00 0.00 0.00 0.00 51.96 53.96 3dby s ALA 33 Cb -0.28 -3.50 1.45 0.00 0.00 0.00 0.00 23.12 20.80 3dby s ALA 33 CO 0.35 -0.87 1.84 -1.35 0.00 0.00 0.00 175.76 175.72 3dby h PRO 34 N 2.61 0.00 0.00 0.00 0.11 -1.95 0.21 132.00 132.98 3dby h PRO 34 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dby h PRO 34 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3dby h PRO 34 CO 0.62 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.77 3dby n LYS 35 N -3.96 0.01 -2.10 1.05 2.85 -1.26 -4.16 118.16 110.59 3dby n LYS 35 Ca 0.16 0.25 -0.40 0.00 -1.05 0.00 0.00 58.31 57.26 3dby n LYS 35 Cb 0.93 -1.51 -0.00 0.00 -0.65 0.00 0.00 35.03 33.80 3dby n LYS 35 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3dby n GLU 36 N -1.52 4.72 -0.23 -1.58 -0.58 0.06 -4.76 120.64 116.74 3dby n GLU 36 Ca 0.04 -3.65 -0.01 0.00 -0.42 0.00 0.00 57.16 53.12 3dby n GLU 36 Cb 0.18 -2.61 0.10 0.00 -0.57 0.00 0.00 31.44 28.54 3dby n GLU 36 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3dby h LYS 37 N 4.56 0.63 -0.24 3.49 1.79 -1.84 -0.75 116.57 124.20 3dby h LYS 37 Ca 0.67 -0.04 -0.16 0.00 -2.18 0.00 0.00 60.65 58.95 3dby h LYS 37 Cb 0.31 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3dby h LYS 37 CO 1.44 0.42 -0.49 0.93 -1.08 0.00 0.00 179.45 180.66 3dby h GLU 38 N 0.65 0.67 -0.04 3.15 4.39 -1.96 -0.89 114.58 120.55 3dby h GLU 38 Ca 0.31 -0.39 -0.16 0.00 0.34 0.00 0.00 59.36 59.46 3dby h GLU 38 Cb 0.23 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3dby h GLU 38 CO -0.20 1.01 -0.68 -0.44 -1.16 0.00 0.00 179.01 177.54 3dby h ASP 39 N 0.53 0.22 -0.46 1.42 3.32 -1.87 -2.03 116.42 117.55 3dby h ASP 39 Ca 0.02 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 3dby h ASP 39 Cb 1.05 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3dby h ASP 39 CO 0.10 0.83 0.18 0.40 -1.72 0.00 0.00 179.24 179.03 3dby h ILE 40 N 0.13 1.21 -0.48 0.35 2.04 -0.95 0.26 117.51 120.07 3dby h ILE 40 Ca -0.02 -0.66 0.09 0.00 1.00 0.00 0.00 64.86 65.27 3dby h ILE 40 Cb 1.21 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.99 3dby h ILE 40 CO 0.10 0.24 0.05 0.50 0.00 0.00 0.00 178.15 179.05 3dby h LYS 41 N 0.61 0.17 -0.01 2.37 3.11 -1.04 -0.86 116.57 120.91 3dby h LYS 41 Ca 0.15 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.98 3dby h LYS 41 Cb 0.21 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.40 3dby h LYS 41 CO -0.01 0.11 0.00 0.87 -2.81 0.00 0.00 179.45 177.61 3dby h LYS 42 N 0.17 0.02 -0.50 1.90 1.57 -0.93 -1.82 116.57 116.98 3dby h LYS 42 Ca 0.24 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.07 3dby h LYS 42 Cb 0.35 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3dby h LYS 42 CO -0.36 0.20 0.33 0.00 -0.57 0.00 0.00 179.45 179.05 3dby h ALA 43 N 0.82 1.85 -0.36 3.86 0.00 -0.87 0.13 119.26 124.69 3dby h ALA 43 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3dby h ALA 43 Cb 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dby h ALA 43 CO -0.00 0.08 -0.42 1.15 0.00 0.00 0.00 179.25 180.06 3dby h THR 44 N 0.49 1.27 -0.65 0.00 2.02 -0.98 0.15 112.91 115.21 3dby h THR 44 Ca 0.21 -1.59 0.01 0.00 0.77 0.00 0.00 66.41 65.80 3dby h THR 44 Cb 0.22 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 3dby h THR 44 CO -0.05 0.53 0.43 0.22 0.37 0.00 0.00 175.52 177.01 3dby h TYR 45 N 0.72 0.83 -0.70 3.16 3.20 -0.57 -1.34 116.97 122.27 3dby h TYR 45 Ca 0.05 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3dby h TYR 45 Cb 1.01 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 3dby h TYR 45 CO 0.07 0.53 0.29 0.74 -1.64 0.00 0.00 178.16 178.14 3dby h PHE 46 N 0.89 1.06 -0.23 -3.82 0.04 -0.46 0.18 116.94 114.60 3dby h PHE 46 Ca 0.24 -0.08 0.02 0.00 2.80 0.00 0.00 57.97 60.96 3dby h PHE 46 Cb -0.10 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.71 3dby h PHE 46 CO -0.03 0.82 0.07 0.28 -0.60 0.00 0.00 178.31 178.85 3dby h VAL 47 N 1.00 0.93 -0.41 -0.55 2.07 -0.18 -2.21 116.25 116.90 3dby h VAL 47 Ca 0.23 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 3dby h VAL 47 Cb 0.20 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3dby h VAL 47 CO -0.02 0.03 0.18 -0.33 0.02 0.00 0.00 177.57 177.45 3dby h GLU 48 N 0.17 0.59 0.55 1.57 5.08 -1.09 -1.34 114.58 120.11 3dby h GLU 48 Ca 0.10 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3dby h GLU 48 Cb 0.08 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.23 3dby h GLU 48 CO -0.11 0.54 -0.27 1.15 -1.00 0.00 0.00 179.01 179.32 3dby h THR 49 N 0.51 0.45 -0.02 1.13 2.02 -0.35 -1.35 112.91 115.30 3dby h THR 49 Ca 0.14 -0.05 -0.10 0.00 0.77 0.00 0.00 66.41 67.16 3dby h THR 49 Cb 0.15 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3dby h THR 49 CO -0.01 0.01 -0.46 -0.26 0.37 0.00 0.00 175.52 175.16 3dby h PHE 50 N -0.78 0.07 -0.79 3.16 0.04 -1.48 -0.78 116.94 116.39 3dby h PHE 50 Ca -0.08 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 3dby h PHE 50 Cb 0.58 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.68 3dby h PHE 50 CO -0.03 0.51 0.39 1.15 -0.60 0.00 0.00 178.31 179.74 3dby h THR 51 N 0.05 1.24 0.31 -1.55 2.02 -1.21 0.21 112.91 113.99 3dby h THR 51 Ca -0.00 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 3dby h THR 51 Cb 0.84 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3dby h THR 51 CO 0.06 0.29 -0.15 -1.13 0.37 0.00 0.00 175.52 174.96 3dby h ASN 52 N 1.10 -0.35 -0.95 4.18 -0.00 -0.76 -2.84 115.58 115.97 3dby h ASN 52 Ca 0.27 -0.14 0.02 0.00 -0.00 0.00 0.00 56.30 56.45 3dby h ASN 52 Cb 0.09 0.09 -0.05 0.00 -0.00 0.00 0.00 38.32 38.45 3dby h ASN 52 CO -0.04 -0.04 0.62 -0.07 -0.00 0.00 0.00 177.43 177.90 3dby h LEU 53 N -0.68 1.06 -0.75 0.34 3.38 -1.06 0.21 115.31 117.82 3dby h LEU 53 Ca -0.04 -0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.07 3dby h LEU 53 Cb 0.47 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 40.86 3dby h LEU 53 CO 0.07 0.75 0.18 0.25 0.09 0.00 0.00 178.44 179.77 3dby h LEU 54 N 1.24 0.00 0.00 1.67 5.85 -0.58 -2.17 115.31 121.33 3dby h LEU 54 Ca 0.36 0.15 0.00 0.00 0.84 0.00 0.00 57.88 59.23 3dby h LEU 54 Cb -0.07 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3dby h LEU 54 CO -0.10 -0.05 -0.83 0.78 -0.34 0.00 0.00 178.44 177.91 3dby h ASN 55 N 0.26 0.00 1.32 1.25 4.21 -1.08 -3.31 115.58 118.23 3dby h ASN 55 Ca 0.42 -0.11 -0.11 0.00 1.21 0.00 0.00 56.30 57.71 3dby h ASN 55 Cb 0.73 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.92 3dby h ASN 55 CO -0.52 0.06 -0.52 0.50 -1.29 0.00 0.00 177.43 175.65 3dby h LYS 56 N 0.00 0.00 -6.72 0.81 3.64 -0.07 -3.46 116.57 110.77 3dby h LYS 56 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 3dby h LYS 56 Cb 0.88 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 32.75 3dby h LYS 56 CO 0.00 0.52 0.75 0.54 -2.27 0.00 0.00 179.45 178.99 3dby s VAL 57 N -3.07 2.77 0.30 2.00 0.11 -0.87 -4.96 120.40 116.68 3dby s VAL 57 Ca 0.03 0.63 -0.19 0.00 -2.93 0.00 0.00 61.98 59.52 3dby s VAL 57 Cb 0.08 -3.41 0.04 0.00 -1.53 0.00 0.00 36.38 31.57 3dby s VAL 57 CO 0.74 0.10 0.80 0.00 -3.33 0.00 0.00 175.10 173.41 3dby s ARG 58 N -0.22 1.87 0.00 1.54 1.70 -1.26 -5.02 118.95 117.56 3dby s ARG 58 Ca 0.59 -1.13 0.00 0.00 -0.47 0.00 0.00 55.73 54.73 3dby s ARG 58 Cb -0.41 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 34.54 3dby s ARG 58 CO 0.41 -0.87 0.50 0.27 -1.08 0.00 0.00 175.30 174.54 3dby n ASN 59 N -0.93 1.38 -4.26 -2.89 0.23 -1.26 -4.47 115.26 103.06 3dby n ASN 59 Ca -0.06 -1.25 -0.33 0.00 -0.53 0.00 0.00 54.58 52.40 3dby n ASN 59 Cb 0.60 -0.31 -0.15 0.00 -2.08 0.00 0.00 39.78 37.83 3dby n ASN 59 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3dby s VAL 60 N -0.18 2.70 -1.30 3.53 1.01 -1.26 -4.75 120.40 120.15 3dby s VAL 60 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 3dby s VAL 60 Cb 0.00 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3dby s VAL 60 CO 0.00 0.51 0.53 0.59 0.00 0.00 0.00 175.10 176.73 3dby n ASN 61 N 4.17 -2.71 -0.08 3.32 5.03 -1.26 -4.89 115.26 118.85 3dby n ASN 61 Ca -0.19 -1.16 -0.05 0.00 0.87 0.00 0.00 54.58 54.05 3dby n ASN 61 Cb 0.51 -2.40 0.16 0.00 -1.02 0.00 0.00 39.78 37.04 3dby n ASN 61 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3dby h LEU 62 N -2.13 0.70 -0.06 3.41 3.38 -1.86 -0.90 115.31 117.86 3dby h LEU 62 Ca -0.67 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.09 3dby h LEU 62 Cb 1.39 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 3dby h LEU 62 CO 0.57 0.83 -0.02 0.24 0.09 0.00 0.00 178.44 180.15 3dby h MET 63 N 0.66 0.12 -0.94 1.13 2.86 -1.91 -1.16 114.93 115.68 3dby h MET 63 Ca 0.12 -0.05 0.14 0.00 -2.06 0.00 0.00 59.70 57.85 3dby h MET 63 Cb 0.54 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.10 3dby h MET 63 CO 0.03 0.46 0.56 0.00 1.06 0.00 0.00 176.91 179.02 3dby h ALA 64 N 0.66 1.45 -0.49 6.32 0.00 -1.89 -1.94 119.26 123.37 3dby h ALA 64 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3dby h ALA 64 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3dby h ALA 64 CO 0.01 0.06 0.21 0.35 0.00 0.00 0.00 179.25 179.88 3dby h PHE 65 N 0.82 0.73 -1.07 0.00 3.57 -0.90 -2.67 116.94 117.42 3dby h PHE 65 Ca 0.50 -0.05 0.29 0.00 3.53 0.00 0.00 57.97 62.24 3dby h PHE 65 Cb 0.62 -0.22 -0.11 0.00 2.79 0.00 0.00 35.95 39.03 3dby h PHE 65 CO -0.03 0.60 0.67 0.77 -2.23 0.00 0.00 178.31 178.09 3dby h SER 66 N 0.65 0.46 -0.15 0.41 0.02 -0.40 -1.14 113.55 113.40 3dby h SER 66 Ca 0.17 0.11 -0.18 0.00 -0.84 0.00 0.00 61.79 61.05 3dby h SER 66 Cb 0.16 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3dby h SER 66 CO -0.02 0.04 -0.55 0.11 -1.14 0.00 0.00 176.83 175.27 3dby h LYS 67 N 0.38 0.74 -0.35 3.45 1.57 -1.33 0.33 116.57 121.37 3dby h LYS 67 Ca 0.64 -0.47 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3dby h LYS 67 Cb 1.61 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.97 3dby h LYS 67 CO -0.37 1.10 0.04 1.49 -0.57 0.00 0.00 179.45 181.14 3dby h GLU 68 N 0.57 0.59 -0.16 3.15 4.81 -1.20 -1.79 114.58 120.54 3dby h GLU 68 Ca 0.01 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3dby h GLU 68 Cb 1.13 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 3dby h GLU 68 CO 0.11 0.68 -0.04 0.00 -0.73 0.00 0.00 179.01 179.04 3dby h ALA 69 N 0.88 0.11 -0.49 2.92 0.00 -1.25 -2.53 119.26 118.91 3dby h ALA 69 Ca 0.10 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3dby h ALA 69 Cb 0.39 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3dby h ALA 69 CO 0.01 -0.48 0.25 1.49 0.00 0.00 0.00 179.25 180.52 3dby h GLU 70 N 0.01 0.48 -0.70 0.00 4.81 -0.85 0.56 114.58 118.88 3dby h GLU 70 Ca 0.08 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3dby h GLU 70 Cb 0.11 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 3dby h GLU 70 CO -0.16 0.31 0.37 0.37 -0.73 0.00 0.00 179.01 179.17 3dby h GLN 71 N 0.49 0.63 0.00 1.92 5.75 -1.22 -1.64 115.11 121.05 3dby h GLN 71 Ca 0.22 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.56 3dby h GLN 71 Cb 0.12 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 3dby h GLN 71 CO -0.15 0.42 -0.56 0.00 -2.65 0.00 0.00 178.83 175.89 3dby h ALA 72 N 1.40 0.87 -0.06 3.38 0.00 -0.88 -2.47 119.26 121.50 3dby h ALA 72 Ca 0.33 -0.51 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 3dby h ALA 72 Cb 0.29 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3dby h ALA 72 CO -0.23 0.70 -0.92 0.00 0.00 0.00 0.00 179.25 178.80 3dby h ALA 73 N 1.44 0.26 -0.54 0.00 0.00 -0.46 -1.81 119.26 118.15 3dby h ALA 73 Ca -0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 3dby h ALA 73 Cb 1.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3dby h ALA 73 CO 0.07 0.71 0.09 0.87 0.00 0.00 0.00 179.25 181.00 3dby h LYS 74 N 0.41 0.85 -0.24 0.00 6.56 -1.26 0.03 116.57 122.92 3dby h LYS 74 Ca -0.09 -0.19 -0.04 0.00 -1.06 0.00 0.00 60.65 59.27 3dby h LYS 74 Cb 1.56 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 33.09 3dby h LYS 74 CO 0.18 0.79 -0.00 0.93 -2.06 0.00 0.00 179.45 179.29 3dby h GLU 75 N 0.81 0.43 -0.27 3.15 5.08 -1.29 -1.93 114.58 120.55 3dby h GLU 75 Ca 0.17 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3dby h GLU 75 Cb 0.35 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3dby h GLU 75 CO 0.01 0.60 -0.35 0.97 -1.00 0.00 0.00 179.01 179.24 3dby h ILE 76 N 0.20 1.29 -0.35 3.13 2.10 -1.19 -1.54 117.51 121.14 3dby h ILE 76 Ca 0.07 -1.48 0.08 0.00 1.08 0.00 0.00 64.86 64.60 3dby h ILE 76 Cb 0.41 1.46 -0.08 0.00 -1.09 0.00 0.00 36.82 37.52 3dby h ILE 76 CO 0.01 0.47 -0.26 -0.09 -1.08 0.00 0.00 178.15 177.20 3dby h ARG 77 N 0.50 -0.21 -0.19 2.19 2.43 -0.94 0.19 114.38 118.35 3dby h ARG 77 Ca 0.05 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3dby h ARG 77 Cb 0.84 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 3dby h ARG 77 CO 0.07 -0.14 -0.10 0.00 -1.51 0.00 0.00 179.97 178.29 3dby h ALA 78 N 0.88 1.48 -0.21 2.80 0.00 -0.98 -1.11 119.26 122.11 3dby h ALA 78 Ca 0.17 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3dby h ALA 78 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3dby h ALA 78 CO -0.48 0.37 -0.05 0.35 0.00 0.00 0.00 179.25 179.44 3dby h PHE 79 N 0.29 0.47 -0.37 0.00 3.57 -0.41 -0.62 116.94 119.88 3dby h PHE 79 Ca 0.06 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.49 3dby h PHE 79 Cb 0.36 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3dby h PHE 79 CO 0.01 0.66 0.16 0.87 -2.23 0.00 0.00 178.31 177.77 3dby h LYS 80 N 0.14 0.32 -0.55 1.11 1.57 -0.08 -0.85 116.57 118.22 3dby h LYS 80 Ca 0.05 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3dby h LYS 80 Cb 0.51 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3dby h LYS 80 CO 0.02 0.21 0.07 -0.07 -0.57 0.00 0.00 179.45 179.12 3dby h LEU 81 N 0.33 0.85 -0.91 2.94 3.38 -1.18 -1.39 115.31 119.33 3dby h LEU 81 Ca 0.16 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3dby h LEU 81 Cb 0.10 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3dby h LEU 81 CO -0.14 0.87 0.35 -1.13 0.09 0.00 0.00 178.44 178.48 3dby h ASN 82 N 0.85 1.03 -0.61 -0.43 -1.24 -0.55 0.36 115.58 114.99 3dby h ASN 82 Ca 0.17 -0.13 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 3dby h ASN 82 Cb 0.40 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.16 3dby h ASN 82 CO 0.01 0.89 0.30 0.40 -1.29 0.00 0.00 177.43 177.74 3dby h ILE 83 N 1.12 1.21 -0.56 2.57 2.04 -0.59 -1.48 117.51 121.82 3dby h ILE 83 Ca 0.27 -0.59 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 3dby h ILE 83 Cb 0.15 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3dby h ILE 83 CO -0.03 0.24 -0.02 0.40 0.00 0.00 0.00 178.15 178.74 3dby h ILE 84 N 0.83 1.26 -0.22 -0.67 2.04 -0.85 -0.74 117.51 119.17 3dby h ILE 84 Ca 0.21 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.95 3dby h ILE 84 Cb 0.11 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3dby h ILE 84 CO -0.03 0.41 0.08 -0.61 0.00 0.00 0.00 178.15 178.00 3dby h GLN 85 N 0.90 0.19 0.00 2.37 4.15 -0.67 -0.73 115.11 121.31 3dby h GLN 85 Ca 0.16 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 3dby h GLN 85 Cb 0.55 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 3dby h GLN 85 CO 0.03 0.12 -0.17 0.87 -1.93 0.00 0.00 178.83 177.75 3dby h LYS 86 N 0.19 0.00 -0.12 1.69 1.57 -0.91 -2.07 116.57 116.93 3dby h LYS 86 Ca 0.09 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3dby h LYS 86 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3dby h LYS 86 CO -0.09 0.17 -0.08 1.96 -0.57 0.00 0.00 179.45 180.84 3dby h GLN 87 N 0.00 0.26 0.00 3.15 4.20 -0.27 0.80 115.11 123.25 3dby h GLN 87 Ca -0.00 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3dby h GLN 87 Cb 0.32 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3dby h GLN 87 CO 0.02 0.64 0.00 -0.07 -0.67 0.00 0.00 178.83 178.75 3dby h LEU 88 N -0.11 0.00 -2.89 1.46 3.38 -0.83 -1.80 115.31 114.52 3dby h LEU 88 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dby h LEU 88 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3dby h LEU 88 CO 0.02 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 3dby n GLU 89 N -2.89 2.87 -3.02 1.13 1.02 -0.81 -4.98 120.64 113.97 3dby n GLU 89 Ca -0.02 -2.17 -0.19 0.00 -0.02 0.00 0.00 57.16 54.76 3dby n GLU 89 Cb 0.12 -1.34 0.04 0.00 -0.02 0.00 0.00 31.44 30.24 3dby n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dby n GLY 90 N 0.62 -0.32 0.47 0.62 0.00 -0.35 -4.93 105.19 101.31 3dby n GLY 90 Ca 0.14 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.23 3dby n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dby n LYS 91 N -3.68 2.59 -3.70 1.61 5.02 0.26 -4.99 118.16 115.27 3dby n LYS 91 Ca -0.07 -2.29 -0.14 0.00 -2.02 0.00 0.00 58.31 53.79 3dby n LYS 91 Cb 0.59 -1.44 -0.09 0.00 -0.02 0.00 0.00 35.03 34.07 3dby n LYS 91 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3dby s ILE 92 N -1.95 0.02 -0.33 -0.18 2.07 -1.25 -4.95 121.20 114.63 3dby s ILE 92 Ca 0.26 -0.14 -0.10 0.00 -1.41 0.00 0.00 60.65 59.26 3dby s ILE 92 Cb 0.20 -0.69 0.01 0.00 0.13 0.00 0.00 42.46 42.10 3dby s ILE 92 CO 0.08 -0.08 0.16 -0.89 -1.91 0.00 0.00 174.94 172.30 3dby s THR 93 N -0.45 4.50 -0.07 4.00 2.01 -1.26 -4.84 115.64 119.53 3dby s THR 93 Ca -0.06 -0.64 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 3dby s THR 93 Cb -0.03 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 69.11 3dby s THR 93 CO 0.03 -0.05 0.17 -0.51 -0.69 0.00 0.00 174.62 173.57 3dby s ILE 94 N 1.57 -0.01 -0.18 1.82 2.07 -1.26 -2.09 121.20 123.12 3dby s ILE 94 Ca 0.03 0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.31 3dby s ILE 94 Cb -0.18 -0.25 0.20 0.00 0.13 0.00 0.00 42.46 42.36 3dby s ILE 94 CO 0.06 0.01 1.55 1.41 -1.91 0.00 0.00 174.94 176.06 3dby n HIS 95 N 3.23 1.07 -4.84 3.50 8.25 0.11 -4.75 115.22 121.79 3dby n HIS 95 Ca -0.15 -1.21 -0.30 0.00 -0.26 0.00 0.00 57.72 55.80 3dby n HIS 95 Cb 0.58 -0.60 -0.14 0.00 1.12 0.00 0.00 29.99 30.94 3dby n HIS 95 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3dby s PHE 96 N -1.18 2.36 0.60 4.41 2.99 -1.26 -5.03 117.98 120.87 3dby s PHE 96 Ca 0.20 -0.39 -0.12 0.00 0.00 0.00 0.00 56.93 56.63 3dby s PHE 96 Cb 0.17 -1.40 -0.04 0.00 0.00 0.00 0.00 43.02 41.75 3dby s PHE 96 CO 0.02 0.16 1.02 0.95 -0.00 0.00 0.00 175.22 177.37 3dby s THR 97 N -0.84 4.62 0.36 0.64 -4.23 -1.26 -4.95 115.64 109.98 3dby s THR 97 Ca 0.12 0.93 0.08 0.00 -1.18 0.00 0.00 61.69 61.65 3dby s THR 97 Cb -0.10 -3.80 0.32 0.00 1.34 0.00 0.00 72.50 70.25 3dby s THR 97 CO 0.03 -1.03 1.89 -0.65 -0.54 0.00 0.00 174.62 174.31 3dby h PRO 98 N -0.08 0.69 -0.70 3.99 0.11 -1.97 -2.67 132.00 131.36 3dby h PRO 98 Ca -0.45 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3dby h PRO 98 Cb 1.19 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 3dby h PRO 98 CO 0.62 0.45 0.31 1.15 -0.21 0.00 0.00 178.00 180.32 3dby h THR 99 N 0.71 1.24 -0.71 -1.15 2.02 -1.99 0.24 112.91 113.27 3dby h THR 99 Ca 0.42 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.91 3dby h THR 99 Cb 0.64 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 3dby h THR 99 CO -0.18 0.29 0.46 0.15 0.37 0.00 0.00 175.52 176.61 3dby h PHE 100 N 0.99 0.87 -0.02 3.16 3.57 -1.87 0.16 116.94 123.81 3dby h PHE 100 Ca 0.24 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.62 3dby h PHE 100 Cb 0.16 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 3dby h PHE 100 CO 0.01 0.54 -0.63 0.82 -2.23 0.00 0.00 178.31 176.81 3dby h ILE 101 N 0.94 1.43 -0.86 1.41 2.04 -1.38 -2.23 117.51 118.86 3dby h ILE 101 Ca 0.27 -2.13 0.01 0.00 1.00 0.00 0.00 64.86 64.02 3dby h ILE 101 Cb -0.07 2.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 3dby h ILE 101 CO -0.07 0.61 0.57 -1.13 0.00 0.00 0.00 178.15 178.13 3dby h ASN 102 N 0.06 0.97 -0.59 1.72 -1.24 0.05 -1.37 115.58 115.18 3dby h ASN 102 Ca -0.01 -0.02 -0.08 0.00 0.71 0.00 0.00 56.30 56.90 3dby h ASN 102 Cb 1.13 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.92 3dby h ASN 102 CO 0.09 0.70 0.08 0.45 -1.29 0.00 0.00 177.43 177.45 3dby h HIS 103 N 1.14 1.06 -0.97 0.67 3.86 -0.71 -0.73 115.15 119.48 3dby h HIS 103 Ca 0.32 -0.16 0.09 0.00 -1.16 0.00 0.00 60.37 59.46 3dby h HIS 103 Cb -0.10 -0.29 -0.07 0.00 1.06 0.00 0.00 27.41 28.01 3dby h HIS 103 CO -0.00 0.93 0.62 0.52 0.86 0.00 0.00 177.93 180.85 3dby h MET 104 N 0.89 1.02 -0.42 2.45 2.86 -0.78 -0.68 114.93 120.27 3dby h MET 104 Ca 0.18 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3dby h MET 104 Cb 0.45 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3dby h MET 104 CO 0.02 0.68 0.20 0.28 1.06 0.00 0.00 176.91 179.14 3dby h VAL 105 N 1.05 1.18 -0.97 -2.22 2.07 -0.83 -1.83 116.25 114.71 3dby h VAL 105 Ca 0.45 -0.52 0.11 0.00 0.82 0.00 0.00 66.70 67.55 3dby h VAL 105 Cb 0.31 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 3dby h VAL 105 CO -0.22 0.20 0.62 0.78 0.02 0.00 0.00 177.57 178.97 3dby h ASN 106 N 0.54 0.90 0.24 0.57 2.35 -0.29 -1.49 115.58 118.40 3dby h ASN 106 Ca 0.14 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3dby h ASN 106 Cb 0.13 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3dby h ASN 106 CO -0.02 0.51 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.82 3dby h GLU 107 N 0.98 -0.31 -0.28 0.81 5.08 -0.84 -2.53 114.58 117.50 3dby h GLU 107 Ca 0.46 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.91 3dby h GLU 107 Cb 0.43 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3dby h GLU 107 CO -0.22 0.03 0.19 -0.24 -1.00 0.00 0.00 179.01 177.78 3dby h VAL 108 N -0.71 0.89 -0.17 3.13 3.04 -1.16 0.08 116.25 121.34 3dby h VAL 108 Ca -0.03 -0.02 -0.13 0.00 -1.01 0.00 0.00 66.70 65.51 3dby h VAL 108 Cb 0.49 0.83 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 3dby h VAL 108 CO 0.05 0.01 -0.45 -0.33 -1.01 0.00 0.00 177.57 175.85 3dby h GLU 109 N 0.06 0.43 -0.43 4.17 5.08 -1.18 -1.24 114.58 121.47 3dby h GLU 109 Ca 0.13 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3dby h GLU 109 Cb 0.44 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3dby h GLU 109 CO -0.01 0.79 0.27 0.93 -1.00 0.00 0.00 179.01 179.99 3dby h GLU 110 N 0.35 0.58 -0.68 2.33 4.39 -0.56 -0.67 114.58 120.31 3dby h GLU 110 Ca 0.02 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.69 3dby h GLU 110 Cb 0.92 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.41 3dby h GLU 110 CO 0.08 0.42 0.44 -0.92 -1.16 0.00 0.00 179.01 177.87 3dby h TYR 111 N 0.58 0.83 -0.71 4.33 3.20 -1.05 -2.10 116.97 122.06 3dby h TYR 111 Ca 0.16 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 3dby h TYR 111 Cb -0.02 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 3dby h TYR 111 CO -0.04 0.50 0.28 0.82 -1.64 0.00 0.00 178.16 178.09 3dby h ILE 112 N 0.89 1.24 -0.58 1.81 2.04 -0.99 0.28 117.51 122.20 3dby h ILE 112 Ca 0.26 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 65.28 3dby h ILE 112 Cb -0.05 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3dby h ILE 112 CO -0.08 0.31 0.02 0.00 0.00 0.00 0.00 178.15 178.40 3dby h ALA 113 N 1.28 0.94 -0.49 1.87 0.00 -0.75 -2.48 119.26 119.63 3dby h ALA 113 Ca 0.24 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3dby h ALA 113 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3dby h ALA 113 CO -0.02 0.64 -0.03 0.28 0.00 0.00 0.00 179.25 180.13 3dby h VAL 114 N 0.92 1.27 -0.09 0.00 2.07 -0.66 -2.77 116.25 116.98 3dby h VAL 114 Ca 0.17 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.60 3dby h VAL 114 Cb 0.50 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3dby h VAL 114 CO 0.02 0.39 0.08 -0.07 0.02 0.00 0.00 177.57 178.01 3dby h LEU 115 N 0.75 0.00 -1.02 2.57 3.38 -0.18 -1.65 115.31 119.16 3dby h LEU 115 Ca 0.14 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3dby h LEU 115 Cb 0.55 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 3dby h LEU 115 CO 0.03 0.00 0.65 -0.08 0.09 0.00 0.00 178.44 179.13 3dby h GLU 116 N 0.00 1.19 0.00 1.13 4.81 -1.15 -1.03 114.58 119.53 3dby h GLU 116 Ca 0.04 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3dby h GLU 116 Cb 0.20 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3dby h GLU 116 CO -0.00 0.79 -0.00 0.74 -0.73 0.00 0.00 179.01 179.81 3dby h PHE 117 N 1.22 -0.00 -0.90 0.92 0.04 -1.52 -3.31 116.94 113.40 3dby h PHE 117 Ca 0.41 -0.00 0.20 0.00 2.80 0.00 0.00 57.97 61.38 3dby h PHE 117 Cb 0.07 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.16 3dby h PHE 117 CO -0.00 0.89 0.59 -0.07 -0.60 0.00 0.00 178.31 179.12 3dby h LEU 118 N -0.89 0.43 -1.22 1.54 3.38 -1.11 0.34 115.31 117.78 3dby h LEU 118 Ca -0.00 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3dby h LEU 118 Cb 0.89 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3dby h LEU 118 CO 0.00 0.18 -0.25 0.11 0.09 0.00 0.00 178.44 178.56 3dby h LYS 119 N 0.43 0.00 -0.29 1.13 1.57 -1.31 -2.32 116.57 115.78 3dby h LYS 119 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3dby h LYS 119 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3dby h LYS 119 CO -0.18 0.25 0.00 1.63 -0.57 0.00 0.00 179.45 180.58 3dby n LYS 120 N -3.50 1.95 -1.24 3.15 5.02 0.01 -4.90 118.16 118.65 3dby n LYS 120 Ca -0.00 -1.44 -0.08 0.00 -2.02 0.00 0.00 58.31 54.76 3dby n LYS 120 Cb 0.42 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 3dby n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dby n GLY 121 N 1.21 1.00 3.85 0.72 0.00 -0.87 -5.02 105.19 106.08 3dby n GLY 121 Ca 0.16 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 3dby n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dby s GLU 122 N -2.55 3.21 -0.13 1.61 2.02 -0.62 -4.97 118.70 117.27 3dby s GLU 122 Ca 0.00 -0.50 -0.29 0.00 0.02 0.00 0.00 54.97 54.20 3dby s GLU 122 Cb 0.00 -2.93 -0.05 0.00 0.10 0.00 0.00 34.13 31.26 3dby s GLU 122 CO 0.00 0.61 1.72 0.08 0.02 0.00 0.00 175.26 177.70 3dby s VAL 123 N -1.39 3.52 0.42 2.63 1.01 -1.26 -3.51 120.40 121.82 3dby s VAL 123 Ca 0.30 0.61 -0.26 0.00 0.00 0.00 0.00 61.98 62.62 3dby s VAL 123 Cb -0.13 -3.48 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 3dby s VAL 123 CO 0.22 -0.15 1.38 -0.81 0.00 0.00 0.00 175.10 175.74 3dby n PRO 124 N 7.56 2.22 -1.40 2.72 -0.04 -1.26 -4.96 135.00 139.83 3dby n PRO 124 Ca 0.19 0.79 -0.29 0.00 -0.04 0.00 0.00 63.50 64.15 3dby n PRO 124 Cb 0.44 -2.54 0.13 0.00 -0.04 0.00 0.00 33.50 31.49 3dby n PRO 124 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3dby s PRO 125 N -2.27 1.25 -0.21 0.54 0.04 -1.26 -5.01 135.00 128.08 3dby s PRO 125 Ca 0.59 0.52 -0.20 0.00 0.04 0.00 0.00 61.00 61.95 3dby s PRO 125 Cb -0.48 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 3dby s PRO 125 CO 0.59 -2.17 0.61 0.08 0.04 0.00 0.00 177.00 176.15 3dby s VAL 126 N -3.12 5.03 0.76 -0.36 1.01 -1.26 -5.06 120.40 117.41 3dby s VAL 126 Ca 0.63 1.13 -0.12 0.00 0.00 0.00 0.00 61.98 63.63 3dby s VAL 126 Cb -0.16 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.35 3dby s VAL 126 CO 0.55 0.11 1.11 -0.36 0.00 0.00 0.00 175.10 176.51 3dby s PHE 127 N 1.98 3.07 0.29 5.22 0.08 -1.26 -4.96 117.98 122.40 3dby s PHE 127 Ca 0.27 1.01 -0.29 0.00 0.12 0.00 0.00 56.93 58.04 3dby s PHE 127 Cb -0.16 -3.18 -0.14 0.00 -0.57 0.00 0.00 43.02 38.97 3dby s PHE 127 CO 0.10 -1.53 1.13 1.58 -0.10 0.00 0.00 175.22 176.40 3dby n HIS 128 N -3.23 1.62 -0.31 0.36 -0.00 -1.26 -4.70 115.22 107.69 3dby n HIS 128 Ca 0.07 0.64 0.15 0.00 0.46 0.00 0.00 57.72 59.04 3dby n HIS 128 Cb 0.58 -2.31 0.39 0.00 -0.12 0.00 0.00 29.99 28.52 3dby n HIS 128 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 3dby h GLU 129 N 2.43 0.62 0.00 1.57 4.11 -1.92 -0.17 114.58 121.22 3dby h GLU 129 Ca -0.42 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 58.97 3dby h GLU 129 Cb 1.32 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3dby h GLU 129 CO 0.63 0.41 -0.02 -0.07 0.07 0.00 0.00 179.01 180.03 3dby h LEU 130 N 0.64 0.00 -0.26 3.06 3.38 -1.97 -1.36 115.31 118.79 3dby h LEU 130 Ca 0.54 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.55 3dby h LEU 130 Cb 1.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3dby h LEU 130 CO -0.30 0.02 -0.02 -0.74 0.09 0.00 0.00 178.44 177.50 3dby h HIS 131 N 0.00 -0.05 -0.54 1.13 2.76 -1.36 -1.50 115.15 115.60 3dby h HIS 131 Ca -0.00 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.11 3dby h HIS 131 Cb 0.04 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 3dby h HIS 131 CO 0.00 -0.06 0.00 1.88 -1.30 0.00 0.00 177.93 178.45 3dby h TYR 132 N 0.06 1.03 -0.71 5.26 0.05 -1.31 -2.70 116.97 118.64 3dby h TYR 132 Ca 0.13 -0.18 0.06 0.00 0.05 0.00 0.00 58.73 58.79 3dby h TYR 132 Cb 0.17 -0.27 -0.06 0.00 1.01 0.00 0.00 36.73 37.59 3dby h TYR 132 CO -0.22 0.94 0.41 0.45 -1.05 0.00 0.00 178.16 178.70 3dby h HIS 133 N 0.82 0.76 0.00 4.88 3.86 -1.30 0.35 115.15 124.51 3dby h HIS 133 Ca 0.15 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3dby h HIS 133 Cb 0.53 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3dby h HIS 133 CO 0.04 0.37 0.00 -0.07 0.86 0.00 0.00 177.93 179.13 3dby h LEU 134 N 0.76 0.00 0.04 2.43 3.38 -1.06 -2.27 115.31 118.59 3dby h LEU 134 Ca 0.32 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.94 3dby h LEU 134 Cb 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3dby h LEU 134 CO -0.18 0.00 -1.93 0.52 0.09 0.00 0.00 178.44 176.94 3dby n VAL 135 N -2.52 1.61 0.58 1.22 0.31 -0.90 -4.71 118.33 113.93 3dby n VAL 135 Ca 0.03 -0.39 0.11 0.00 -0.01 0.00 0.00 64.34 64.08 3dby n VAL 135 Cb 0.33 -1.81 -0.07 0.00 -0.91 0.00 0.00 33.84 31.38 3dby n VAL 135 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3dby n TRP 136 N -3.90 0.11 -0.03 3.52 7.02 0.12 -3.54 117.44 120.74 3dby n TRP 136 Ca -0.38 0.03 -0.13 0.00 -1.02 0.00 0.00 57.50 55.99 3dby n TRP 136 Cb 0.89 -0.30 -0.10 0.00 -2.42 0.00 0.00 31.31 29.38 3dby n TRP 136 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3dby h LEU 137 N 0.00 0.05 -1.11 -0.99 3.38 -1.60 0.87 115.31 115.91 3dby h LEU 137 Ca 0.00 -0.59 0.02 0.00 0.09 0.00 0.00 57.88 57.40 3dby h LEU 137 Cb 0.72 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 3dby h LEU 137 CO 0.00 0.63 0.60 0.71 0.09 0.00 0.00 178.44 180.47 3dby h THR 138 N -0.53 1.20 -0.36 0.22 1.35 -1.78 -1.75 112.91 111.25 3dby h THR 138 Ca -0.00 -0.41 0.06 0.00 -0.55 0.00 0.00 66.41 65.51 3dby h THR 138 Cb 0.62 -0.10 -0.05 0.00 -1.73 0.00 0.00 68.15 66.89 3dby h THR 138 CO 0.01 0.22 0.05 -0.78 -0.25 0.00 0.00 175.52 174.76 3dby h ASP 139 N 1.19 -0.04 -0.37 5.36 3.58 -1.56 -0.04 116.42 124.55 3dby h ASP 139 Ca 0.35 0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.84 3dby h ASP 139 Cb -0.07 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 3dby h ASP 139 CO -0.09 0.01 0.12 0.00 -2.88 0.00 0.00 179.24 176.41 3dby h ALA 140 N 1.29 0.48 -0.69 -0.78 0.00 -0.46 0.17 119.26 119.27 3dby h ALA 140 Ca 0.17 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3dby h ALA 140 Cb 0.21 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 3dby h ALA 140 CO -0.25 0.12 0.33 0.00 0.00 0.00 0.00 179.25 179.45 3dby h ALA 141 N 0.96 0.94 -0.52 0.00 0.00 -1.16 -0.14 119.26 119.34 3dby h ALA 141 Ca 0.12 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3dby h ALA 141 Cb 0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3dby h ALA 141 CO -0.00 -0.08 0.04 0.78 0.00 0.00 0.00 179.25 179.99 3dby h GLY 142 N 0.56 0.92 1.00 0.00 0.00 -0.75 0.23 103.07 105.03 3dby h GLY 142 Ca 0.34 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3dby h GLY 142 CO -0.27 0.56 -0.13 0.45 0.00 0.00 0.00 176.54 177.14 3dby h HIS 143 N 0.80 -0.34 -0.92 5.60 3.86 -0.13 0.75 115.15 124.78 3dby h HIS 143 Ca 0.16 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3dby h HIS 143 Cb 0.43 0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.96 3dby h HIS 143 CO 0.02 -0.21 0.58 0.00 0.86 0.00 0.00 177.93 179.18 3dby h ALA 144 N 0.37 1.17 -0.11 2.45 0.00 -0.97 -2.22 119.26 119.95 3dby h ALA 144 Ca -0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3dby h ALA 144 Cb 0.28 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3dby h ALA 144 CO 0.06 0.60 -0.37 0.78 0.00 0.00 0.00 179.25 180.33 3dby h GLY 145 N 1.26 0.25 1.63 0.00 0.00 -0.82 -1.82 103.07 103.57 3dby h GLY 145 Ca 0.33 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 47.28 3dby h GLY 145 CO -0.07 0.20 -0.62 1.48 0.00 0.00 0.00 176.54 177.54 3dby h SER 146 N 0.20 0.44 -0.12 0.19 4.64 -0.42 -0.26 113.55 118.22 3dby h SER 146 Ca 0.02 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 3dby h SER 146 Cb 0.75 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3dby h SER 146 CO 0.06 0.94 0.05 0.40 -0.87 0.00 0.00 176.83 177.41 3dby h ILE 147 N 0.28 1.15 -0.70 0.95 2.04 -1.27 0.65 117.51 120.63 3dby h ILE 147 Ca -0.01 -0.46 0.08 0.00 1.00 0.00 0.00 64.86 65.48 3dby h ILE 147 Cb 1.15 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 38.40 3dby h ILE 147 CO 0.10 0.14 0.36 -1.28 0.00 0.00 0.00 178.15 177.47 3dby h SER 148 N 0.03 0.48 1.78 1.72 0.87 -1.17 -0.77 113.55 116.49 3dby h SER 148 Ca 0.04 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3dby h SER 148 Cb 0.18 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3dby h SER 148 CO -0.00 0.29 -0.03 1.23 -0.53 0.00 0.00 176.83 177.79 3dby h GLY 149 N 0.62 0.00 1.26 5.77 0.00 -0.95 -3.22 103.07 106.55 3dby h GLY 149 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3dby h GLY 149 CO -0.24 0.00 -0.32 0.61 0.00 0.00 0.00 176.54 176.58 3dby n GLY 150 N 0.90 -1.28 3.80 4.60 0.00 0.21 -4.92 105.19 108.50 3dby n GLY 150 Ca 0.03 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3dby n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dby s LEU 151 N -2.95 4.25 0.57 0.99 1.43 -0.71 -1.33 118.68 120.93 3dby s LEU 151 Ca 0.13 1.63 -0.18 0.00 -1.03 0.00 0.00 54.13 54.68 3dby s LEU 151 Cb 0.18 -3.98 -0.08 0.00 0.03 0.00 0.00 46.19 42.35 3dby s LEU 151 CO 0.63 -0.10 0.66 -0.67 0.23 0.00 0.00 176.35 177.11 3dby n ASP 152 N 0.32 -0.47 -0.31 2.29 2.03 -0.32 -4.87 116.55 115.22 3dby n ASP 152 Ca 0.02 0.77 0.05 0.00 0.52 0.00 0.00 54.79 56.15 3dby n ASP 152 Cb 0.51 -1.24 0.13 0.00 -0.72 0.00 0.00 41.12 39.80 3dby n ASP 152 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3dby n LEU 153 N 0.14 -0.30 0.00 -2.67 0.00 -1.26 -1.85 117.00 111.06 3dby n LEU 153 Ca 0.12 1.47 0.13 0.00 0.00 0.00 0.00 56.01 57.73 3dby n LEU 153 Cb 0.47 -0.45 0.59 0.00 0.00 0.00 0.00 43.42 44.03 3dby n LEU 153 CO 0.51 -1.41 0.92 1.33 0.00 0.00 0.00 177.39 178.73 3dby n VAL 154 N -5.39 0.20 -1.41 1.96 0.24 -1.26 -4.28 118.33 108.39 3dby n VAL 154 Ca 0.14 0.05 -0.39 0.00 -2.04 0.00 0.00 64.34 62.10 3dby n VAL 154 Cb 0.44 -0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 32.17 3dby n VAL 154 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dby n GLU 155 N -1.42 3.73 -0.17 7.34 -0.58 -0.77 -4.70 120.64 124.07 3dby n GLU 155 Ca 0.09 -2.35 -0.10 0.00 -0.42 0.00 0.00 57.16 54.37 3dby n GLU 155 Cb 0.27 -2.82 0.00 0.00 -0.57 0.00 0.00 31.44 28.32 3dby n GLU 155 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3dby h LYS 156 N 5.04 0.92 -0.58 3.49 1.57 -1.83 -1.56 116.57 123.62 3dby h LYS 156 Ca 0.84 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 59.20 3dby h LYS 156 Cb 0.31 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3dby h LYS 156 CO 1.77 0.99 0.02 0.00 -0.57 0.00 0.00 179.45 181.66 3dby h ARG 157 N 0.78 1.01 -0.63 3.15 2.47 -1.97 -0.67 114.38 118.53 3dby h ARG 157 Ca 0.13 -0.31 -0.07 0.00 -1.26 0.00 0.00 59.98 58.47 3dby h ARG 157 Cb 0.62 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.82 3dby h ARG 157 CO 0.04 1.00 0.13 -0.07 0.56 0.00 0.00 179.97 181.63 3dby h LEU 158 N 0.91 0.94 -0.37 3.04 3.38 -1.94 -2.64 115.31 118.62 3dby h LEU 158 Ca 0.17 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3dby h LEU 158 Cb 0.53 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3dby h LEU 158 CO 0.03 0.92 0.02 0.50 0.09 0.00 0.00 178.44 180.00 3dby h LYS 159 N 0.95 0.64 -0.89 1.13 3.64 -1.14 -1.63 116.57 119.27 3dby h LYS 159 Ca 0.20 -0.20 0.12 0.00 -1.27 0.00 0.00 60.65 59.51 3dby h LYS 159 Cb 0.37 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 3dby h LYS 159 CO 0.00 0.74 0.52 0.93 -2.27 0.00 0.00 179.45 179.36 3dby h GLU 160 N 0.47 0.77 -0.30 1.90 5.08 -1.02 -0.17 114.58 121.31 3dby h GLU 160 Ca 0.11 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 3dby h GLU 160 Cb 0.43 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3dby h GLU 160 CO 0.02 0.51 -0.24 -0.22 -1.00 0.00 0.00 179.01 178.08 3dby h LYS 161 N 0.79 0.69 0.00 2.33 1.63 -1.17 -2.07 116.57 118.77 3dby h LYS 161 Ca 0.46 -0.34 -0.12 0.00 -0.85 0.00 0.00 60.65 59.80 3dby h LYS 161 Cb 0.52 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.14 3dby h LYS 161 CO -0.30 0.95 -0.58 0.66 -3.45 0.00 0.00 179.45 176.73 3dby h SER 162 N 0.44 0.00 -0.38 4.20 4.64 -1.00 -2.52 113.55 118.93 3dby h SER 162 Ca 0.06 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 3dby h SER 162 Cb 0.79 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 3dby h SER 162 CO 0.06 0.58 0.12 -0.33 -0.87 0.00 0.00 176.83 176.40 3dby h GLU 163 N 0.00 0.67 -0.24 4.77 4.39 -0.95 -0.64 114.58 122.57 3dby h GLU 163 Ca -0.01 -0.11 -0.13 0.00 0.34 0.00 0.00 59.36 59.45 3dby h GLU 163 Cb 1.22 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3dby h GLU 163 CO 0.08 0.60 -0.36 1.49 -1.16 0.00 0.00 179.01 179.66 3dby h GLU 164 N 0.65 0.67 -0.63 2.33 4.81 -1.10 -1.92 114.58 119.39 3dby h GLU 164 Ca 0.15 -0.40 0.08 0.00 -0.13 0.00 0.00 59.36 59.07 3dby h GLU 164 Cb 0.22 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.57 3dby h GLU 164 CO -0.01 1.01 0.28 0.74 -0.73 0.00 0.00 179.01 180.31 3dby h PHE 165 N 0.39 0.50 -0.44 0.92 0.04 -1.40 -1.40 116.94 115.55 3dby h PHE 165 Ca 0.02 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.86 3dby h PHE 165 Cb 0.94 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.92 3dby h PHE 165 CO 0.08 0.17 0.21 1.15 -0.60 0.00 0.00 178.31 179.32 3dby h THR 166 N 0.50 0.95 -0.15 -1.55 2.02 -0.94 -0.66 112.91 113.07 3dby h THR 166 Ca 0.31 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3dby h THR 166 Cb 0.33 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3dby h THR 166 CO -0.26 0.08 0.10 0.50 0.37 0.00 0.00 175.52 176.30 3dby h LYS 167 N 0.42 0.20 -0.76 6.66 3.64 -1.14 -1.21 116.57 124.38 3dby h LYS 167 Ca 0.19 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3dby h LYS 167 Cb 0.12 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 3dby h LYS 167 CO -0.15 0.15 0.39 0.45 -2.27 0.00 0.00 179.45 178.03 3dby h HIS 168 N 0.19 1.07 -0.33 1.91 3.86 -0.99 -0.03 115.15 120.84 3dby h HIS 168 Ca 0.05 -0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.09 3dby h HIS 168 Cb -0.00 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 3dby h HIS 168 CO -0.06 0.77 -0.34 0.74 0.86 0.00 0.00 177.93 179.90 3dby h PHE 169 N 1.07 0.86 -0.79 2.45 0.04 -0.91 0.22 116.94 119.88 3dby h PHE 169 Ca 0.27 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 3dby h PHE 169 Cb 0.08 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.00 3dby h PHE 169 CO 0.01 0.97 0.34 0.93 -0.60 0.00 0.00 178.31 179.96 3dby h GLU 170 N 0.62 1.17 -0.24 1.51 5.08 -0.91 -0.00 114.58 121.81 3dby h GLU 170 Ca 0.06 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 3dby h GLU 170 Cb 0.87 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3dby h GLU 170 CO 0.08 0.94 -0.09 1.96 -1.00 0.00 0.00 179.01 180.89 3dby h GLN 171 N 1.14 0.49 -0.87 2.33 4.20 -0.69 -1.54 115.11 120.17 3dby h GLN 171 Ca 0.27 -0.20 0.10 0.00 0.06 0.00 0.00 58.65 58.87 3dby h GLN 171 Cb 0.19 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.87 3dby h GLN 171 CO -0.03 0.74 0.52 0.74 -0.67 0.00 0.00 178.83 180.13 3dby h PHE 172 N 0.21 0.94 -0.51 2.96 0.04 -0.43 -2.49 116.94 117.66 3dby h PHE 172 Ca 0.06 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.88 3dby h PHE 172 Cb 0.58 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 3dby h PHE 172 CO 0.06 0.39 0.30 -0.92 -0.60 0.00 0.00 178.31 177.54 3dby h TYR 173 N 0.86 0.56 -0.94 -0.55 3.20 -0.46 -0.44 116.97 119.21 3dby h TYR 173 Ca 0.42 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.34 3dby h TYR 173 Cb 0.37 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 3dby h TYR 173 CO -0.04 0.31 0.61 -0.07 -1.64 0.00 0.00 178.16 177.33 3dby h LEU 174 N 0.60 1.01 -0.25 2.82 3.38 -0.92 -1.47 115.31 120.47 3dby h LEU 174 Ca 0.21 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3dby h LEU 174 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3dby h LEU 174 CO -0.10 0.69 -0.01 0.50 0.09 0.00 0.00 178.44 179.61 3dby h LYS 175 N 1.17 0.46 -0.82 1.13 3.64 -1.02 -2.37 116.57 118.76 3dby h LYS 175 Ca 0.37 -0.15 0.13 0.00 -1.27 0.00 0.00 60.65 59.73 3dby h LYS 175 Cb 0.02 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.72 3dby h LYS 175 CO -0.12 0.63 0.43 0.00 -2.27 0.00 0.00 179.45 178.13 3dby h ALA 176 N 0.81 1.20 -0.27 5.00 0.00 -0.82 -1.05 119.26 124.12 3dby h ALA 176 Ca 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3dby h ALA 176 Cb 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3dby h ALA 176 CO 0.01 -0.04 0.12 0.28 0.00 0.00 0.00 179.25 179.62 3dby h VAL 177 N 0.66 1.16 -0.51 0.00 2.07 -1.12 -1.16 116.25 117.34 3dby h VAL 177 Ca 0.43 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3dby h VAL 177 Cb 0.54 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3dby h VAL 177 CO -0.32 0.17 0.13 -0.33 0.02 0.00 0.00 177.57 177.24 3dby h GLU 178 N 0.29 0.82 0.00 1.57 4.39 -1.17 -2.96 114.58 117.52 3dby h GLU 178 Ca 0.09 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 3dby h GLU 178 Cb 0.15 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3dby h GLU 178 CO -0.01 0.78 -0.26 0.52 -1.16 0.00 0.00 179.01 178.88 3dby h MET 179 N 0.71 0.00 -0.21 2.33 2.86 -1.06 -0.27 114.93 119.28 3dby h MET 179 Ca 0.16 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 3dby h MET 179 Cb 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3dby h MET 179 CO 0.00 0.26 -0.16 1.15 1.06 0.00 0.00 176.91 179.22 3dby h THR 180 N 0.00 1.22 -0.02 2.22 2.02 -1.05 -2.43 112.91 114.87 3dby h THR 180 Ca -0.00 -0.98 -0.17 0.00 0.77 0.00 0.00 66.41 66.03 3dby h THR 180 Cb 0.63 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3dby h THR 180 CO 0.03 0.31 -0.75 1.23 0.37 0.00 0.00 175.52 176.71 3dby h GLY 181 N 0.89 0.18 1.65 2.16 0.00 -1.00 -2.66 103.07 104.28 3dby h GLY 181 Ca 0.06 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.16 3dby h GLY 181 CO 0.03 0.24 0.15 -0.97 0.00 0.00 0.00 176.54 175.99 3dby h TYR 182 N 0.10 0.10 0.00 5.60 0.05 -0.89 -1.67 116.97 120.26 3dby h TYR 182 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3dby h TYR 182 Cb 1.33 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.03 3dby h TYR 182 CO 0.02 0.06 0.09 -0.07 -1.05 0.00 0.00 178.16 177.21 3dby h LEU 183 N 0.11 0.00 -1.36 3.88 3.38 -1.15 0.37 115.31 120.54 3dby h LEU 183 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dby h LEU 183 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3dby h LEU 183 CO -0.01 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.55 3dby h ARG 184 N 0.00 0.00 0.00 1.13 3.08 -1.46 0.02 114.38 117.15 3dby h ARG 184 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dby h ARG 184 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3dby h ARG 184 CO 0.00 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.69 3dby h THR 185 N 0.00 0.00 0.00 2.04 1.35 -1.12 -3.46 112.91 111.72 3dby h THR 185 Ca 0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3dby h THR 185 Cb 0.17 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3dby h THR 185 CO 0.00 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.65 3dby n GLU 186 N -2.60 0.00 -3.15 4.72 1.02 -0.01 -5.01 120.64 115.61 3dby n GLU 186 Ca 0.02 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.73 3dby n GLU 186 Cb 0.30 -2.69 -0.07 0.00 -0.02 0.00 0.00 31.44 28.96 3dby n GLU 186 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3dby s LEU 187 N 0.00 4.48 0.00 -4.62 2.96 -1.26 -4.95 118.68 115.29 3dby s LEU 187 Ca 0.00 -0.26 0.22 0.00 -0.22 0.00 0.00 54.13 53.87 3dby s LEU 187 Cb 0.00 -2.68 0.05 0.00 0.50 0.00 0.00 46.19 44.06 3dby s LEU 187 CO 0.00 -0.69 1.12 1.41 -1.32 0.00 0.00 176.35 176.87 3dby n HIS 188 N 6.09 0.00 -3.75 5.38 8.25 -1.26 -4.47 115.22 125.45 3dby n HIS 188 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 3dby n HIS 188 Cb 0.48 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.46 3dby n HIS 188 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3dby s HIS 189 N -2.28 -0.26 0.04 4.41 3.76 -1.26 -5.04 115.29 114.66 3dby s HIS 189 Ca 0.21 0.64 -0.27 0.00 -0.15 0.00 0.00 55.06 55.49 3dby s HIS 189 Cb 0.18 0.02 0.08 0.00 1.11 0.00 0.00 32.58 33.97 3dby s HIS 189 CO 0.48 -0.19 0.71 -0.59 -0.85 0.00 0.00 174.74 174.30 3dby s PHE 190 N 0.97 -0.53 0.35 1.40 -0.12 -1.26 -5.07 117.98 113.71 3dby s PHE 190 Ca -0.07 0.58 0.04 0.00 -0.05 0.00 0.00 56.93 57.43 3dby s PHE 190 Cb -0.09 0.50 0.67 0.00 -0.63 0.00 0.00 43.02 43.48 3dby s PHE 190 CO -0.06 -0.68 1.96 -1.35 -0.05 0.00 0.00 175.22 175.04 3dby h PRO 191 N 2.35 0.81 -0.18 1.99 0.11 -2.01 -1.70 132.00 133.38 3dby h PRO 191 Ca -0.28 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.72 3dby h PRO 191 Cb 1.23 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3dby h PRO 191 CO 0.36 0.54 -0.14 0.00 -0.21 0.00 0.00 178.00 178.56 3dby h ALA 192 N 1.59 1.44 -0.29 -0.75 0.00 -1.99 0.25 119.26 119.52 3dby h ALA 192 Ca 0.31 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3dby h ALA 192 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3dby h ALA 192 CO -0.10 0.39 -0.06 1.25 0.00 0.00 0.00 179.25 180.73 3dby h LEU 193 N 0.27 0.55 -0.41 0.00 5.85 -1.74 -0.94 115.31 118.89 3dby h LEU 193 Ca 0.05 -0.36 -0.06 0.00 0.84 0.00 0.00 57.88 58.36 3dby h LEU 193 Cb 0.41 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3dby h LEU 193 CO 0.02 0.78 0.04 0.11 -0.34 0.00 0.00 178.44 179.05 3dby h LYS 194 N 0.31 0.71 -0.21 1.25 1.79 -1.20 -1.66 116.57 117.55 3dby h LYS 194 Ca 0.07 -0.21 0.05 0.00 -2.18 0.00 0.00 60.65 58.38 3dby h LYS 194 Cb 0.54 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.07 3dby h LYS 194 CO 0.03 0.77 -0.07 -0.22 -1.08 0.00 0.00 179.45 178.87 3dby h LYS 195 N 0.55 -0.03 -0.41 3.15 1.63 -1.00 -1.82 116.57 118.64 3dby h LYS 195 Ca 0.12 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.01 3dby h LYS 195 Cb 0.43 0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 31.97 3dby h LYS 195 CO 0.01 -0.02 -0.20 0.35 -3.45 0.00 0.00 179.45 176.15 3dby h PHE 196 N -0.03 -0.50 -0.22 1.91 3.57 -0.89 -0.79 116.94 119.98 3dby h PHE 196 Ca 0.11 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 3dby h PHE 196 Cb 0.19 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3dby h PHE 196 CO -0.24 -0.28 -0.16 1.15 -2.23 0.00 0.00 178.31 176.55 3dby h THR 197 N -0.12 1.22 -0.52 4.41 2.02 -1.09 -0.14 112.91 118.69 3dby h THR 197 Ca 0.20 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 3dby h THR 197 Cb 0.43 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3dby h THR 197 CO -0.49 0.32 0.12 0.11 0.37 0.00 0.00 175.52 175.96 3dby h LYS 198 N 0.35 0.84 -0.56 6.66 1.57 -0.64 -1.35 116.57 123.43 3dby h LYS 198 Ca 0.06 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3dby h LYS 198 Cb 0.49 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3dby h LYS 198 CO 0.03 0.80 0.25 -0.44 -0.57 0.00 0.00 179.45 179.52 3dby h ASP 199 N 0.73 0.75 -0.60 0.86 3.32 -0.48 -1.64 116.42 119.35 3dby h ASP 199 Ca 0.16 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3dby h ASP 199 Cb 0.34 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3dby h ASP 199 CO 0.00 0.69 0.24 0.58 -1.72 0.00 0.00 179.24 179.04 3dby h VAL 200 N 0.77 1.23 -0.85 -1.35 2.07 -1.02 -2.18 116.25 114.92 3dby h VAL 200 Ca 0.19 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3dby h VAL 200 Cb 0.15 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3dby h VAL 200 CO -0.02 0.28 0.47 0.28 0.02 0.00 0.00 177.57 178.60 3dby h SER 201 N 0.84 1.05 -0.07 0.57 0.02 -0.85 -0.26 113.55 114.85 3dby h SER 201 Ca 0.20 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3dby h SER 201 Cb 0.20 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3dby h SER 201 CO -0.02 0.84 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.44 3dby h LEU 202 N 1.18 -0.04 -1.03 5.07 3.38 -1.16 -1.97 115.31 120.74 3dby h LEU 202 Ca 0.30 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.30 3dby h LEU 202 Cb 0.01 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3dby h LEU 202 CO -0.05 -0.01 0.66 -0.08 0.09 0.00 0.00 178.44 179.05 3dby h GLU 203 N 0.02 1.30 -0.34 1.13 4.57 -0.89 -0.81 114.58 119.56 3dby h GLU 203 Ca 0.03 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 3dby h GLU 203 Cb 0.04 -0.29 -0.02 0.00 -0.16 0.00 0.00 28.75 28.32 3dby h GLU 203 CO -0.06 0.86 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.52 3dby h LEU 204 N 1.34 0.52 -0.44 1.64 3.38 -0.89 0.15 115.31 121.01 3dby h LEU 204 Ca 0.36 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 3dby h LEU 204 Cb -0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3dby h LEU 204 CO -0.08 0.62 -0.26 0.11 0.09 0.00 0.00 178.44 178.92 3dby h LYS 205 N 0.52 0.95 -0.84 1.13 1.57 -0.92 0.94 116.57 119.91 3dby h LYS 205 Ca 0.11 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 3dby h LYS 205 Cb 0.40 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 3dby h LYS 205 CO 0.02 1.10 0.45 -0.07 -0.57 0.00 0.00 179.45 180.37 3dby h LEU 206 N 0.79 1.07 -0.56 2.94 3.38 -0.78 -2.43 115.31 119.72 3dby h LEU 206 Ca 0.09 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3dby h LEU 206 Cb 0.84 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3dby h LEU 206 CO 0.07 0.87 -0.51 0.15 0.09 0.00 0.00 178.44 179.12 3dby h PHE 207 N 1.18 0.70 -0.59 1.13 3.57 -0.44 -2.36 116.94 120.14 3dby h PHE 207 Ca 0.30 -0.23 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 3dby h PHE 207 Cb 0.06 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3dby h PHE 207 CO 0.01 0.96 0.12 0.77 -2.23 0.00 0.00 178.31 177.94 3dby h SER 208 N 0.45 0.92 -0.66 0.41 0.02 -0.70 0.11 113.55 114.10 3dby h SER 208 Ca 0.02 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3dby h SER 208 Cb 1.04 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 3dby h SER 208 CO 0.10 0.92 0.41 -0.74 -1.14 0.00 0.00 176.83 176.38 3dby h HIS 209 N 0.87 0.86 -0.38 3.45 -0.00 -1.30 -0.01 115.15 118.64 3dby h HIS 209 Ca 0.18 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.55 3dby h HIS 209 Cb 0.38 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 3dby h HIS 209 CO 0.03 0.57 0.22 0.35 -0.00 0.00 0.00 177.93 179.09 3dby h PHE 210 N 0.90 0.51 -0.42 5.26 3.57 -1.07 -0.50 116.94 125.18 3dby h PHE 210 Ca 0.24 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 3dby h PHE 210 Cb -0.05 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 3dby h PHE 210 CO -0.02 0.38 0.11 -0.07 -2.23 0.00 0.00 178.31 176.48 3dby h LEU 211 N 0.49 0.57 -0.65 0.59 3.38 -0.53 0.48 115.31 119.63 3dby h LEU 211 Ca 0.13 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3dby h LEU 211 Cb 0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3dby h LEU 211 CO -0.02 0.56 -0.07 0.45 0.09 0.00 0.00 178.44 179.45 3dby h HIS 212 N 0.61 1.08 -0.67 1.13 3.86 -0.51 -0.20 115.15 120.45 3dby h HIS 212 Ca 0.14 -0.20 -0.07 0.00 -1.16 0.00 0.00 60.37 59.08 3dby h HIS 212 Cb 0.21 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 3dby h HIS 212 CO 0.01 0.99 0.16 0.93 0.86 0.00 0.00 177.93 180.88 3dby h GLU 213 N 0.88 1.07 -0.30 2.45 5.08 -0.25 -1.88 114.58 121.63 3dby h GLU 213 Ca 0.15 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 3dby h GLU 213 Cb 0.61 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3dby h GLU 213 CO 0.04 0.96 -0.11 0.28 -1.00 0.00 0.00 179.01 179.18 3dby h VAL 214 N 1.00 1.29 -0.91 3.13 2.07 -0.65 -0.21 116.25 121.97 3dby h VAL 214 Ca 0.21 -1.18 0.07 0.00 0.82 0.00 0.00 66.70 66.62 3dby h VAL 214 Cb 0.38 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 3dby h VAL 214 CO 0.00 0.38 0.56 -0.08 0.02 0.00 0.00 177.57 178.46 3dby h GLU 215 N 0.36 0.98 -0.25 1.57 4.81 -0.92 0.16 114.58 121.28 3dby h GLU 215 Ca 0.07 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 3dby h GLU 215 Cb 0.62 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3dby h GLU 215 CO 0.04 0.65 -0.44 0.93 -0.73 0.00 0.00 179.01 179.46 3dby h GLU 216 N 1.01 0.74 -0.97 1.92 5.08 -1.09 -0.30 114.58 120.98 3dby h GLU 216 Ca 0.40 -0.46 0.12 0.00 -1.00 0.00 0.00 59.36 58.42 3dby h GLU 216 Cb 0.22 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 3dby h GLU 216 CO -0.19 1.09 0.60 -0.07 -1.00 0.00 0.00 179.01 179.44 3dby h LEU 217 N 0.48 0.88 -0.67 1.33 3.38 -0.80 -1.65 115.31 118.26 3dby h LEU 217 Ca 0.02 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3dby h LEU 217 Cb 1.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3dby h LEU 217 CO 0.10 0.47 0.02 -0.33 0.09 0.00 0.00 178.44 178.78 3dby h GLU 218 N 0.95 1.05 0.00 1.13 4.39 -0.26 -0.78 114.58 121.07 3dby h GLU 218 Ca 0.48 -0.32 -0.12 0.00 0.34 0.00 0.00 59.36 59.74 3dby h GLU 218 Cb 0.47 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3dby h GLU 218 CO -0.27 1.01 -0.59 -0.07 -1.16 0.00 0.00 179.01 177.94 3dby h LEU 219 N 0.96 0.00 -1.95 1.33 3.38 -0.76 -2.52 115.31 115.74 3dby h LEU 219 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3dby h LEU 219 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3dby h LEU 219 CO 0.03 0.59 0.00 -1.54 0.09 0.00 0.00 178.44 177.60 3dby n SER 220 N -3.77 2.91 -1.83 -0.43 3.41 -0.65 -4.93 113.62 108.33 3dby n SER 220 Ca -0.01 -1.92 -0.20 0.00 -0.26 0.00 0.00 58.87 56.48 3dby n SER 220 Cb 0.60 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 3dby n SER 220 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3dby n ASN 221 N 1.13 -5.44 -0.02 4.04 3.02 -0.89 -4.88 115.26 112.22 3dby n ASN 221 Ca 0.18 0.35 0.13 0.00 -0.03 0.00 0.00 54.58 55.22 3dby n ASN 221 Cb 0.51 -4.73 0.51 0.00 -0.61 0.00 0.00 39.78 35.46 3dby n ASN 221 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dby n GLU 222 N -2.53 0.11 -5.06 3.52 1.02 -0.35 -4.80 120.64 112.55 3dby n GLU 222 Ca -0.21 -0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.57 3dby n GLU 222 Cb 0.67 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.45 3dby n GLU 222 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dby s VAL 223 N -2.91 2.64 -0.24 2.62 0.11 -1.21 -5.04 120.40 116.37 3dby s VAL 223 Ca 0.16 -0.88 -0.17 0.00 -2.93 0.00 0.00 61.98 58.16 3dby s VAL 223 Cb 0.19 -1.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.01 3dby s VAL 223 CO 0.57 0.58 0.45 -0.76 -3.33 0.00 0.00 175.10 172.62 3dby s LEU 224 N -0.63 4.08 0.05 2.54 1.43 -1.26 -4.91 118.68 119.98 3dby s LEU 224 Ca 0.10 0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 53.40 3dby s LEU 224 Cb -0.11 -2.58 0.10 0.00 0.03 0.00 0.00 46.19 43.64 3dby s LEU 224 CO 0.00 -0.20 1.18 -0.94 0.23 0.00 0.00 176.35 176.63 3dby s SER 225 N 1.41 -0.06 -0.25 2.29 1.04 -1.26 -1.18 113.70 115.69 3dby s SER 225 Ca 0.19 -0.28 0.13 0.00 0.48 0.00 0.00 55.95 56.47 3dby s SER 225 Cb -0.15 0.27 0.59 0.00 0.10 0.00 0.00 66.02 66.83 3dby s SER 225 CO 0.09 -0.52 1.55 1.33 0.98 0.00 0.00 173.24 176.66 3dby n VAL 226 N -0.58 2.55 -2.22 5.02 0.24 -0.44 -4.90 118.33 118.00 3dby n VAL 226 Ca -0.05 -2.05 -0.07 0.00 -2.04 0.00 0.00 64.34 60.12 3dby n VAL 226 Cb 0.61 -0.30 0.04 0.00 -1.47 0.00 0.00 33.84 32.72 3dby n VAL 226 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3dby n LEU 227 N -0.59 0.00 -3.82 1.34 4.77 -1.26 -5.05 117.00 112.39 3dby n LEU 227 Ca 0.30 -0.64 -0.11 0.00 -0.03 0.00 0.00 56.01 55.54 3dby n LEU 227 Cb 1.08 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.87 3dby n LEU 227 CO 0.25 -0.67 -0.06 -0.94 -1.33 0.00 0.00 177.39 174.64 3dby s SER 228 N -2.31 -0.01 0.33 -1.43 1.04 -1.26 -5.02 113.70 105.04 3dby s SER 228 Ca 0.21 -0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.32 3dby s SER 228 Cb -0.01 0.32 0.63 0.00 0.10 0.00 0.00 66.02 67.06 3dby s SER 228 CO 0.14 -0.60 1.92 0.00 0.98 0.00 0.00 173.24 175.68 3dby h ALA 229 N 3.28 1.61 -0.22 5.32 0.00 -1.86 -2.47 119.26 124.91 3dby h ALA 229 Ca -0.32 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 3dby h ALA 229 Cb 1.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3dby h ALA 229 CO 0.49 0.26 -0.21 -0.09 0.00 0.00 0.00 179.25 179.70 3dby h ARG 230 N 0.90 0.39 -0.32 0.00 2.43 -1.95 -1.28 114.38 114.54 3dby h ARG 230 Ca 0.37 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3dby h ARG 230 Cb 0.26 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3dby h ARG 230 CO -0.14 0.58 0.14 1.98 -1.51 0.00 0.00 179.97 181.02 3dby h MET 231 N 0.35 0.48 -0.86 0.20 4.05 -1.85 -1.42 114.93 115.88 3dby h MET 231 Ca 0.06 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3dby h MET 231 Cb 0.56 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.24 3dby h MET 231 CO 0.04 0.47 0.55 0.00 0.23 0.00 0.00 176.91 178.19 3dby h ALA 232 N 0.99 1.09 -0.45 0.39 0.00 -1.24 0.03 119.26 120.07 3dby h ALA 232 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3dby h ALA 232 Cb 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3dby h ALA 232 CO -0.01 0.52 0.25 0.22 0.00 0.00 0.00 179.25 180.23 3dby h ASP 233 N 1.17 0.56 -0.22 0.00 3.58 -1.22 -1.37 116.42 118.93 3dby h ASP 233 Ca 0.31 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 3dby h ASP 233 Cb -0.10 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 3dby h ASP 233 CO -0.06 0.48 0.12 -0.74 -2.88 0.00 0.00 179.24 176.16 3dby h HIS 234 N 0.60 0.30 -0.65 0.28 2.76 -0.84 -0.90 115.15 116.70 3dby h HIS 234 Ca 0.16 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 3dby h HIS 234 Cb 0.04 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 3dby h HIS 234 CO -0.02 0.27 0.27 0.52 -1.30 0.00 0.00 177.93 177.67 3dby h MET 235 N 0.25 0.95 -0.32 5.26 2.86 -0.92 -2.20 114.93 120.81 3dby h MET 235 Ca 0.08 -0.15 -0.17 0.00 -2.06 0.00 0.00 59.70 57.40 3dby h MET 235 Cb 0.07 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 3dby h MET 235 CO -0.01 0.77 -0.46 0.00 1.06 0.00 0.00 176.91 178.27 3dby h ALA 236 N 1.36 0.59 -0.78 6.32 0.00 -0.99 -2.32 119.26 123.44 3dby h ALA 236 Ca 0.22 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3dby h ALA 236 Cb 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3dby h ALA 236 CO -0.02 0.68 0.35 0.00 0.00 0.00 0.00 179.25 180.25 3dby h ARG 237 N 0.67 1.14 -0.50 0.00 3.08 -0.98 -1.53 114.38 116.25 3dby h ARG 237 Ca 0.04 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 3dby h ARG 237 Cb 1.04 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 3dby h ARG 237 CO 0.10 0.90 0.02 0.93 -1.07 0.00 0.00 179.97 180.86 3dby h GLU 238 N 1.11 0.83 -0.29 0.04 5.08 -1.37 -2.16 114.58 117.82 3dby h GLU 238 Ca 0.26 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 3dby h GLU 238 Cb 0.16 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3dby h GLU 238 CO -0.03 0.82 -0.24 0.93 -1.00 0.00 0.00 179.01 179.49 3dby h GLU 239 N 0.78 0.56 -0.37 2.33 4.39 -1.23 -1.78 114.58 119.26 3dby h GLU 239 Ca 0.15 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3dby h GLU 239 Cb 0.44 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3dby h GLU 239 CO 0.02 0.76 0.23 0.00 -1.16 0.00 0.00 179.01 178.86 3dby h TYR 241 N 0.49 0.93 -0.22 0.00 3.20 -1.14 0.51 116.97 120.74 3dby h TYR 241 Ca 0.13 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3dby h TYR 241 Cb -0.03 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 3dby h TYR 241 CO -0.04 0.65 0.09 -0.92 -1.64 0.00 0.00 178.16 176.29 3dby h TYR 242 N 0.94 0.33 -0.68 -3.82 3.20 -1.15 -0.53 116.97 115.26 3dby h TYR 242 Ca 0.24 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.15 3dby h TYR 242 Cb 0.02 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 3dby h TYR 242 CO -0.01 0.37 0.38 1.25 -1.64 0.00 0.00 178.16 178.51 3dby h LEU 243 N 0.20 0.57 -0.11 2.82 5.85 -0.36 -0.81 115.31 123.48 3dby h LEU 243 Ca 0.07 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3dby h LEU 243 Cb 0.18 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 3dby h LEU 243 CO -0.01 0.36 0.04 0.25 -0.34 0.00 0.00 178.44 178.74 3dby h LEU 244 N 0.70 0.16 -1.29 2.25 5.85 0.46 -1.46 115.31 121.98 3dby h LEU 244 Ca 0.31 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3dby h LEU 244 Cb 0.20 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3dby h LEU 244 CO -0.19 0.31 -0.07 0.11 -0.34 0.00 0.00 178.44 178.27 3dby h LYS 245 N -0.00 0.39 -0.51 1.25 1.79 -0.84 -1.00 116.57 117.66 3dby h LYS 245 Ca 0.04 -0.09 -0.12 0.00 -2.18 0.00 0.00 60.65 58.30 3dby h LYS 245 Cb 0.21 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 3dby h LYS 245 CO -0.00 0.48 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.64 3dby h LEU 246 N 0.38 0.98 -0.36 2.94 3.38 -0.98 0.63 115.31 122.28 3dby h LEU 246 Ca 0.08 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3dby h LEU 246 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3dby h LEU 246 CO 0.02 1.11 0.13 0.00 0.09 0.00 0.00 178.44 179.79 3dby h ALA 247 N 0.96 0.47 0.20 1.53 0.00 -0.43 0.13 119.26 122.12 3dby h ALA 247 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3dby h ALA 247 Cb 0.70 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3dby h ALA 247 CO 0.05 0.09 -0.10 1.96 0.00 0.00 0.00 179.25 181.25 3dby h GLN 248 N 0.43 -0.26 -0.55 0.00 4.20 -1.18 0.14 115.11 117.89 3dby h GLN 248 Ca 0.12 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 3dby h GLN 248 Cb 0.21 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3dby h GLN 248 CO -0.01 0.08 0.27 0.66 -0.67 0.00 0.00 178.83 179.16 3dby h SER 249 N -0.66 0.71 1.04 1.46 4.64 -0.90 -3.30 113.55 116.54 3dby h SER 249 Ca -0.03 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3dby h SER 249 Cb 0.47 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3dby h SER 249 CO 0.05 0.63 -0.94 -1.28 -0.87 0.00 0.00 176.83 174.42 3dby h SER 250 N 0.73 0.00 -0.40 4.97 0.87 -1.04 -3.43 113.55 115.25 3dby h SER 250 Ca 0.19 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3dby h SER 250 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3dby h SER 250 CO -0.02 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.89 3dby n GLY 251 N 1.18 0.88 3.76 5.77 0.00 -0.12 -5.05 105.19 111.61 3dby n GLY 251 Ca 0.00 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 3dby n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dby s LEU 252 N -0.40 3.20 0.28 0.99 1.43 -0.27 -5.05 118.68 118.85 3dby s LEU 252 Ca 0.00 -0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 51.85 3dby s LEU 252 Cb 0.00 -1.62 -0.11 0.00 0.03 0.00 0.00 46.19 44.49 3dby s LEU 252 CO 0.00 -0.49 1.61 -0.70 0.23 0.00 0.00 176.35 177.00 3dby s GLU 253 N -3.92 4.12 0.47 1.70 2.12 -1.26 -4.62 118.70 117.31 3dby s GLU 253 Ca 0.41 2.58 -0.23 0.00 0.36 0.00 0.00 54.97 58.09 3dby s GLU 253 Cb 0.01 -3.03 -0.08 0.00 0.26 0.00 0.00 34.13 31.28 3dby s GLU 253 CO 0.23 -0.65 1.16 -1.33 -0.54 0.00 0.00 175.26 174.13 3dby n MET 254 N 2.50 1.57 -2.50 4.30 2.81 -1.26 -4.83 117.12 119.70 3dby n MET 254 Ca 0.09 0.57 -0.34 0.00 -1.81 0.00 0.00 57.70 56.22 3dby n MET 254 Cb 0.37 -2.29 -0.03 0.00 -0.71 0.00 0.00 33.22 30.56 3dby n MET 254 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3dby s PRO 255 N -2.35 3.80 -1.06 0.03 0.04 -1.26 -4.98 135.00 129.22 3dby s PRO 255 Ca 0.66 1.27 -0.14 0.00 0.04 0.00 0.00 61.00 62.83 3dby s PRO 255 Cb -0.49 -2.10 0.20 0.00 0.04 0.00 0.00 34.50 32.14 3dby s PRO 255 CO 0.55 -0.42 1.18 0.15 0.04 0.00 0.00 177.00 178.50 3dby s LYS 256 N -3.40 3.93 0.01 4.56 1.02 -1.26 -4.93 119.74 119.66 3dby s LYS 256 Ca 0.65 -2.54 -0.28 0.00 0.02 0.00 0.00 55.97 53.83 3dby s LYS 256 Cb -0.15 -4.80 0.10 0.00 -0.52 0.00 0.00 37.83 32.45 3dby s LYS 256 CO 0.22 -1.56 0.83 0.00 -0.92 0.00 0.00 175.35 173.92 3dby s ASN 258 N -2.28 4.88 0.00 0.00 2.47 -1.26 -4.97 114.94 113.79 3dby s ASN 258 Ca 0.02 -0.82 0.17 0.00 0.42 0.00 0.00 52.86 52.65 3dby s ASN 258 Cb -0.01 -1.81 0.79 0.00 -1.45 0.00 0.00 41.25 38.78 3dby s ASN 258 CO -0.07 -0.18 1.51 -2.65 -3.72 0.00 0.00 177.10 171.98 3dby n PRO 259 N 4.79 0.14 -0.07 0.43 -0.02 -1.26 -3.58 135.00 135.43 3dby n PRO 259 Ca -0.15 0.16 -0.06 0.00 -2.02 0.00 0.00 63.50 61.44 3dby n PRO 259 Cb 0.47 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.30 3dby n PRO 259 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3dby n LEU 260 N -1.38 0.15 -3.65 2.45 4.77 -1.26 -4.76 117.00 113.33 3dby n LEU 260 Ca 0.06 0.07 -0.07 0.00 -0.03 0.00 0.00 56.01 56.04 3dby n LEU 260 Cb 0.16 0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 3dby n LEU 260 CO 0.14 0.38 0.29 -0.70 -1.33 0.00 0.00 177.39 176.17 3dby s GLU 261 N -2.70 0.65 1.04 3.23 2.12 -1.23 -4.95 118.70 116.85 3dby s GLU 261 Ca -0.09 1.19 -0.18 0.00 0.36 0.00 0.00 54.97 56.26 3dby s GLU 261 Cb 0.08 0.20 0.24 0.00 0.26 0.00 0.00 34.13 34.90 3dby s GLU 261 CO 0.84 -0.16 1.32 0.20 -0.54 0.00 0.00 175.26 176.92 3dby s GLY 262 N 1.75 1.79 0.00 -1.50 0.00 -1.26 -4.67 107.32 103.44 3dby s GLY 262 Ca -0.09 -1.30 0.28 0.00 0.00 0.00 0.00 44.72 43.61 3dby s GLY 262 CO -0.19 -0.44 1.71 -2.39 0.00 0.00 0.00 173.10 171.79 3dby n HIS 263 N -4.03 0.00 -0.01 1.90 1.44 -1.26 -4.17 115.22 109.10 3dby n HIS 263 Ca 0.17 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.88 3dby n HIS 263 Cb 0.59 -0.15 -0.03 0.00 0.12 0.00 0.00 29.99 30.52 3dby n HIS 263 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3dby n HIS 264 N -0.79 0.00 -3.32 -1.40 8.25 -1.26 -4.88 115.22 111.81 3dby n HIS 264 Ca 0.13 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.16 3dby n HIS 264 Cb 0.32 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.29 3dby n HIS 264 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3dby n HIS 265 N -1.82 4.74 -3.58 4.41 8.25 -1.26 -4.91 115.22 121.05 3dby n HIS 265 Ca -0.03 -3.75 -0.07 0.00 -0.26 0.00 0.00 57.72 53.62 3dby n HIS 265 Cb 0.29 -1.58 -0.02 0.00 1.12 0.00 0.00 29.99 29.80 3dby n HIS 265 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3dby s HIS 266 N -1.54 -0.29 -0.36 4.41 -0.00 -1.26 -4.56 115.29 111.70 3dby s HIS 266 Ca 0.31 0.10 0.08 0.00 -0.00 0.00 0.00 55.06 55.54 3dby s HIS 266 Cb -0.07 0.57 0.45 0.00 -0.00 0.00 0.00 32.58 33.52 3dby s HIS 266 CO -0.06 -0.65 1.13 0.72 -0.00 0.00 0.00 174.74 175.88 3dby n HIS 267 N -0.32 2.84 -0.31 0.38 8.25 -1.26 -5.18 115.22 119.62 3dby n HIS 267 Ca -0.08 -2.67 0.00 0.00 -0.26 0.00 0.00 57.72 54.71 3dby n HIS 267 Cb 0.62 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.51 3dby n HIS 267 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59