#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isc s PHE 2 N 0.00 3.47 0.07 7.33 0.08 -1.26 -5.10 117.98 122.57 1isc s PHE 2 Ca 0.00 0.54 0.03 0.00 0.12 0.00 0.00 56.93 57.62 1isc s PHE 2 Cb 0.00 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 1isc s PHE 2 CO 0.00 0.31 0.05 -1.21 -0.10 0.00 0.00 175.22 174.28 1isc s GLU 3 N -3.19 2.80 -0.23 0.44 0.41 -1.26 -4.95 118.70 112.72 1isc s GLU 3 Ca 0.42 -0.71 -0.29 0.00 -0.41 0.00 0.00 54.97 53.98 1isc s GLU 3 Cb -0.11 -2.69 -0.00 0.00 -1.78 0.00 0.00 34.13 29.55 1isc s GLU 3 CO 0.28 0.57 1.20 -1.17 -0.49 0.00 0.00 175.26 175.64 1isc s LEU 4 N -2.27 4.07 0.42 1.80 2.96 -1.26 -5.00 118.68 119.40 1isc s LEU 4 Ca 0.27 1.44 -0.26 0.00 -0.22 0.00 0.00 54.13 55.36 1isc s LEU 4 Cb -0.12 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 1isc s LEU 4 CO 0.20 -0.82 1.38 -2.84 -1.32 0.00 0.00 176.35 172.94 1isc s PRO 5 N 3.59 3.87 0.60 0.98 0.02 -1.26 -4.98 135.00 137.82 1isc s PRO 5 Ca 0.51 2.32 -0.19 0.00 0.02 0.00 0.00 61.00 63.66 1isc s PRO 5 Cb -0.18 -2.74 -0.03 0.00 0.02 0.00 0.00 34.50 31.57 1isc s PRO 5 CO 0.14 -0.63 1.24 0.00 -0.33 0.00 0.00 177.00 177.42 1isc s ALA 6 N -1.22 2.54 0.39 -1.55 0.00 -1.26 -4.98 121.76 115.69 1isc s ALA 6 Ca 0.58 1.09 -0.26 0.00 0.00 0.00 0.00 51.96 53.37 1isc s ALA 6 Cb -0.42 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.13 1isc s ALA 6 CO 0.54 -1.28 1.25 -0.51 0.00 0.00 0.00 175.76 175.75 1isc s LEU 7 N -4.07 4.23 -0.01 0.00 1.43 -1.26 -4.91 118.68 114.09 1isc s LEU 7 Ca 0.78 2.53 0.02 0.00 -1.03 0.00 0.00 54.13 56.43 1isc s LEU 7 Cb -0.33 -3.92 0.08 0.00 0.03 0.00 0.00 46.19 42.05 1isc s LEU 7 CO 0.36 -0.75 0.97 -0.81 0.23 0.00 0.00 176.35 176.36 1isc n PRO 8 N 0.18 1.26 -3.92 1.29 -0.04 -1.26 -4.83 135.00 127.68 1isc n PRO 8 Ca 0.04 -0.32 -0.09 0.00 -0.04 0.00 0.00 63.50 63.08 1isc n PRO 8 Cb 0.45 -1.18 -0.04 0.00 -0.04 0.00 0.00 33.50 32.68 1isc n PRO 8 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1isc s TYR 9 N -1.74 0.16 0.74 0.54 -0.85 -1.26 -5.09 117.35 109.86 1isc s TYR 9 Ca 0.06 -0.54 -0.11 0.00 -0.52 0.00 0.00 57.07 55.96 1isc s TYR 9 Cb 0.03 0.32 0.04 0.00 0.38 0.00 0.00 41.96 42.73 1isc s TYR 9 CO 0.03 -1.02 1.08 0.00 -1.52 0.00 0.00 175.55 174.13 1isc s ALA 10 N -3.97 2.38 0.44 9.51 0.00 -1.26 -4.93 121.76 123.93 1isc s ALA 10 Ca 0.17 0.25 0.32 0.00 0.00 0.00 0.00 51.96 52.70 1isc s ALA 10 Cb -0.02 -3.25 1.67 0.00 0.00 0.00 0.00 23.12 21.52 1isc s ALA 10 CO 0.06 -1.58 2.14 0.87 0.00 0.00 0.00 175.76 177.25 1isc h LYS 11 N -0.90 0.00 -0.54 0.00 1.57 -1.97 -1.47 116.57 113.26 1isc h LYS 11 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1isc h LYS 11 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1isc h LYS 11 CO 0.53 0.07 0.00 -0.40 -0.57 0.00 0.00 179.45 179.08 1isc n ASP 12 N -3.49 3.57 0.13 0.86 5.75 -1.26 -4.19 116.55 117.92 1isc n ASP 12 Ca -0.02 -1.99 0.12 0.00 -0.01 0.00 0.00 54.79 52.89 1isc n ASP 12 Cb 0.20 -0.35 0.50 0.00 -1.03 0.00 0.00 41.12 40.43 1isc n ASP 12 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1isc n ALA 13 N 1.50 1.61 1.02 2.12 0.00 -0.55 -2.65 120.51 123.56 1isc n ALA 13 Ca 0.21 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.87 1isc n ALA 13 Cb 0.60 -1.38 0.07 0.00 0.00 0.00 0.00 19.45 18.74 1isc n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1isc n LEU 14 N -2.24 2.52 -4.77 0.00 4.77 -1.26 -4.35 117.00 111.67 1isc n LEU 14 Ca 0.02 -0.87 -0.41 0.00 -0.03 0.00 0.00 56.01 54.72 1isc n LEU 14 Cb 0.22 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1isc n LEU 14 CO 0.19 0.44 1.08 0.00 -1.33 0.00 0.00 177.39 177.77 1isc s ALA 15 N -2.21 3.57 -2.42 -1.18 0.00 -1.02 -0.94 121.76 117.56 1isc s ALA 15 Ca 0.24 1.41 0.25 0.00 0.00 0.00 0.00 51.96 53.87 1isc s ALA 15 Cb 0.19 -3.56 0.91 0.00 0.00 0.00 0.00 23.12 20.66 1isc s ALA 15 CO 0.42 -0.84 1.65 -0.35 0.00 0.00 0.00 175.76 176.64 1isc n PRO 16 N 1.11 1.72 -0.09 0.00 -0.04 -1.26 -4.90 135.00 131.54 1isc n PRO 16 Ca 0.02 -1.06 -0.13 0.00 -0.04 0.00 0.00 63.50 62.30 1isc n PRO 16 Cb 0.40 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 1isc n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1isc h HIS 17 N 2.39 0.73 -3.29 0.54 3.86 -1.39 -3.39 115.15 114.61 1isc h HIS 17 Ca 0.00 -0.20 -0.49 0.00 -1.16 0.00 0.00 60.37 58.52 1isc h HIS 17 Cb 0.51 -0.16 -0.36 0.00 1.06 0.00 0.00 27.41 28.46 1isc h HIS 17 CO 0.04 0.89 -0.80 0.42 0.86 0.00 0.00 177.93 179.35 1isc s ILE 18 N -4.49 0.89 0.84 2.45 1.01 -0.86 -4.89 121.20 116.15 1isc s ILE 18 Ca -0.13 -0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 1isc s ILE 18 Cb 0.08 -0.90 0.10 0.00 0.01 0.00 0.00 42.46 41.75 1isc s ILE 18 CO 0.80 0.33 1.09 -0.94 0.00 0.00 0.00 174.94 176.22 1isc s SER 19 N 1.38 3.97 0.35 3.58 1.04 -1.26 -2.43 113.70 120.33 1isc s SER 19 Ca -0.02 1.54 0.04 0.00 0.48 0.00 0.00 55.95 58.00 1isc s SER 19 Cb -0.14 -2.25 0.66 0.00 0.10 0.00 0.00 66.02 64.40 1isc s SER 19 CO -0.04 -2.33 1.94 0.00 0.98 0.00 0.00 173.24 173.79 1isc h ALA 20 N -1.34 1.47 -0.47 5.32 0.00 -1.89 -2.32 119.26 120.03 1isc h ALA 20 Ca -0.47 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.23 1isc h ALA 20 Cb 1.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1isc h ALA 20 CO 0.55 0.40 0.04 1.49 0.00 0.00 0.00 179.25 181.72 1isc h GLU 21 N 0.58 0.81 -0.88 0.00 4.81 -1.92 -0.93 114.58 117.05 1isc h GLU 21 Ca 0.14 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1isc h GLU 21 Cb 0.17 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1isc h GLU 21 CO -0.01 0.84 0.54 1.15 -0.73 0.00 0.00 179.01 180.81 1isc h THR 22 N 0.67 1.24 -0.65 0.32 2.02 -1.85 -2.00 112.91 112.67 1isc h THR 22 Ca 0.14 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 1isc h THR 22 Cb 0.45 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1isc h THR 22 CO 0.02 0.24 0.16 0.40 0.37 0.00 0.00 175.52 176.71 1isc h ILE 23 N 1.20 1.26 -0.76 3.11 1.08 -1.07 0.13 117.51 122.46 1isc h ILE 23 Ca 0.32 -0.94 0.09 0.00 -0.39 0.00 0.00 64.86 63.94 1isc h ILE 23 Cb -0.08 0.62 -0.07 0.00 -3.07 0.00 0.00 36.82 34.23 1isc h ILE 23 CO -0.06 0.35 0.42 -0.08 -0.69 0.00 0.00 178.15 178.09 1isc h GLU 24 N 0.96 0.70 0.02 2.37 4.81 -0.69 0.12 114.58 122.87 1isc h GLU 24 Ca 0.20 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1isc h GLU 24 Cb 0.36 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1isc h GLU 24 CO 0.00 0.46 -0.44 1.88 -0.73 0.00 0.00 179.01 180.18 1isc h TYR 25 N 0.72 0.07 -0.16 0.92 0.05 -1.15 -2.25 116.97 115.17 1isc h TYR 25 Ca 0.37 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 59.07 1isc h TYR 25 Cb 0.33 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1isc h TYR 25 CO -0.08 1.17 0.02 1.25 -1.05 0.00 0.00 178.16 179.47 1isc h HIS 26 N -0.91 0.29 0.00 4.88 2.76 -0.67 0.55 115.15 122.06 1isc h HIS 26 Ca -0.11 -0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 57.92 1isc h HIS 26 Cb 1.17 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 30.04 1isc h HIS 26 CO 0.22 0.45 -0.53 -0.92 -1.30 0.00 0.00 177.93 175.85 1isc h TYR 27 N 0.05 0.00 0.00 5.26 3.20 -0.95 -0.81 116.97 123.72 1isc h TYR 27 Ca 0.05 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 1isc h TYR 27 Cb 0.32 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1isc h TYR 27 CO 0.02 1.04 -0.41 0.78 -1.64 0.00 0.00 178.16 177.96 1isc h GLY 28 N -1.00 0.00 0.00 1.82 0.00 -1.18 -2.98 103.07 99.72 1isc h GLY 28 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 1isc h GLY 28 CO -0.08 0.00 -0.97 0.28 0.00 0.00 0.00 176.54 175.77 1isc n LYS 29 N -3.65 0.16 0.11 4.80 5.02 -0.31 -4.50 118.16 119.78 1isc n LYS 29 Ca -0.01 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.22 1isc n LYS 29 Cb 0.50 -0.77 -0.08 0.00 -0.02 0.00 0.00 35.03 34.66 1isc n LYS 29 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1isc h HIS 30 N -0.28 -0.28 -0.60 2.13 3.86 -0.94 -1.33 115.15 117.71 1isc h HIS 30 Ca -0.12 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 58.99 1isc h HIS 30 Cb 0.81 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.35 1isc h HIS 30 CO -0.06 0.08 -0.00 1.25 0.86 0.00 0.00 177.93 180.05 1isc h HIS 31 N -0.68 1.15 -0.87 2.45 -0.00 -1.20 -2.40 115.15 113.59 1isc h HIS 31 Ca -0.03 -0.19 0.03 0.00 -0.00 0.00 0.00 60.37 60.17 1isc h HIS 31 Cb 0.48 -0.30 -0.05 0.00 -0.00 0.00 0.00 27.41 27.54 1isc h HIS 31 CO 0.04 1.01 0.56 0.37 -0.00 0.00 0.00 177.93 179.91 1isc h GLN 32 N 0.96 1.07 -0.83 5.26 5.75 -1.52 -2.57 115.11 123.24 1isc h GLN 32 Ca 0.17 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1isc h GLN 32 Cb 0.55 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.82 1isc h GLN 32 CO 0.03 0.71 0.41 1.15 -2.65 0.00 0.00 178.83 178.48 1isc h THR 33 N 1.11 1.25 -0.47 2.39 2.02 -0.80 -1.77 112.91 116.64 1isc h THR 33 Ca 0.34 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 1isc h THR 33 Cb -0.02 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 1isc h THR 33 CO -0.11 0.30 0.07 1.88 0.37 0.00 0.00 175.52 178.03 1isc h TYR 34 N 1.17 0.76 -0.11 3.16 0.05 -1.04 -0.39 116.97 120.57 1isc h TYR 34 Ca 0.29 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.96 1isc h TYR 34 Cb 0.09 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 37.61 1isc h TYR 34 CO 0.01 0.68 -0.04 0.28 -1.05 0.00 0.00 178.16 178.04 1isc h VAL 35 N 0.71 1.31 -0.40 -2.88 2.07 -1.17 -0.82 116.25 115.06 1isc h VAL 35 Ca 0.15 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.66 1isc h VAL 35 Cb 0.33 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1isc h VAL 35 CO 0.01 0.30 0.22 0.74 0.02 0.00 0.00 177.57 178.86 1isc h THR 36 N -0.11 1.02 -0.42 2.57 2.02 -1.18 -0.83 112.91 115.97 1isc h THR 36 Ca 0.03 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 1isc h THR 36 Cb 0.49 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1isc h THR 36 CO 0.01 0.08 -0.09 0.78 0.37 0.00 0.00 175.52 176.67 1isc h ASN 37 N 0.45 0.72 -0.32 4.18 -0.26 -1.02 -1.52 115.58 117.81 1isc h ASN 37 Ca 0.16 -0.20 -0.05 0.00 -0.56 0.00 0.00 56.30 55.65 1isc h ASN 37 Cb 0.03 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 1isc h ASN 37 CO -0.09 0.85 0.00 0.25 -1.06 0.00 0.00 177.43 177.38 1isc h LEU 38 N 0.67 0.56 -0.91 1.61 5.85 -0.84 -1.41 115.31 120.84 1isc h LEU 38 Ca 0.12 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.56 1isc h LEU 38 Cb 0.55 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1isc h LEU 38 CO 0.03 0.73 0.59 0.78 -0.34 0.00 0.00 178.44 180.23 1isc h ASN 39 N 0.37 1.00 -0.55 1.25 2.35 -0.91 -2.09 115.58 117.00 1isc h ASN 39 Ca 0.09 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1isc h ASN 39 Cb 0.44 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1isc h ASN 39 CO 0.02 0.70 -0.02 0.78 -1.65 0.00 0.00 177.43 177.25 1isc h ASN 40 N 1.17 0.97 0.70 5.81 2.35 -1.15 -2.76 115.58 122.67 1isc h ASN 40 Ca 0.35 -0.32 -0.12 0.00 -0.55 0.00 0.00 56.30 55.67 1isc h ASN 40 Cb -0.04 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 1isc h ASN 40 CO -0.11 1.05 -0.57 -0.07 -1.65 0.00 0.00 177.43 176.09 1isc h LEU 41 N 0.87 0.00 -0.01 1.61 3.38 -0.84 -3.32 115.31 117.00 1isc h LEU 41 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1isc h LEU 41 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1isc h LEU 41 CO 0.03 0.57 -0.85 2.30 0.09 0.00 0.00 178.44 180.58 1isc n ILE 42 N -3.72 0.00 -1.68 1.22 -5.35 -0.82 -4.87 119.36 104.14 1isc n ILE 42 Ca -0.01 -0.00 -0.46 0.00 -0.27 0.00 0.00 62.75 62.01 1isc n ILE 42 Cb 0.60 0.79 -0.04 0.00 -1.74 0.00 0.00 39.64 39.25 1isc n ILE 42 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1isc n LYS 43 N -1.49 2.35 -1.00 6.28 4.81 -1.05 -1.49 118.16 126.57 1isc n LYS 43 Ca 0.04 0.85 -0.00 0.00 -0.87 0.00 0.00 58.31 58.34 1isc n LYS 43 Cb 0.33 -2.68 -0.00 0.00 0.02 0.00 0.00 35.03 32.70 1isc n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1isc n GLY 44 N 3.96 0.48 3.83 3.14 0.00 -1.26 -5.02 105.19 110.32 1isc n GLY 44 Ca 0.19 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1isc n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1isc s THR 45 N -1.97 1.99 -0.42 2.61 -4.23 -0.56 -5.03 115.64 108.03 1isc s THR 45 Ca 0.00 -1.59 0.25 0.00 -1.18 0.00 0.00 61.69 59.17 1isc s THR 45 Cb 0.00 -2.58 0.27 0.00 1.34 0.00 0.00 72.50 71.53 1isc s THR 45 CO 0.00 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 175.82 1isc h ALA 46 N 1.09 1.00 0.00 3.99 0.00 -1.96 -2.77 119.26 120.61 1isc h ALA 46 Ca -0.40 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1isc h ALA 46 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1isc h ALA 46 CO 0.63 0.00 -0.21 0.74 0.00 0.00 0.00 179.25 180.41 1isc h PHE 47 N 0.00 0.00 -3.30 0.00 0.04 -1.96 -3.43 116.94 108.30 1isc h PHE 47 Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 1isc h PHE 47 Cb 0.40 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.59 1isc h PHE 47 CO 0.00 0.21 0.75 -2.00 -0.60 0.00 0.00 178.31 176.67 1isc s GLU 48 N -3.49 4.29 0.00 1.51 2.12 -1.05 -2.01 118.70 120.08 1isc s GLU 48 Ca 0.02 2.24 0.00 0.00 0.36 0.00 0.00 54.97 57.59 1isc s GLU 48 Cb 0.09 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.34 1isc s GLU 48 CO 0.65 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.37 1isc n GLY 49 N 2.49 1.33 3.93 -1.50 0.00 -1.26 -4.99 105.19 105.19 1isc n GLY 49 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1isc n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isc s LYS 50 N -0.51 3.17 0.73 1.61 1.02 -0.85 -5.08 119.74 119.82 1isc s LYS 50 Ca 0.00 -0.14 -0.12 0.00 0.02 0.00 0.00 55.97 55.74 1isc s LYS 50 Cb 0.00 -2.42 0.03 0.00 -0.52 0.00 0.00 37.83 34.91 1isc s LYS 50 CO 0.00 -0.36 1.11 -1.54 -0.92 0.00 0.00 175.35 173.63 1isc s SER 51 N -4.20 5.26 0.21 2.83 1.04 -1.26 -4.87 113.70 112.71 1isc s SER 51 Ca 0.49 1.10 -0.09 0.00 0.48 0.00 0.00 55.95 57.93 1isc s SER 51 Cb -0.10 -1.86 0.16 0.00 0.10 0.00 0.00 66.02 64.32 1isc s SER 51 CO 0.42 -1.45 1.83 0.25 0.98 0.00 0.00 173.24 175.27 1isc h LEU 52 N -0.73 0.98 -0.74 2.42 5.85 -1.98 -0.80 115.31 120.31 1isc h LEU 52 Ca -0.45 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.09 1isc h LEU 52 Cb 1.26 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1isc h LEU 52 CO 0.64 0.79 -0.01 -0.33 -0.34 0.00 0.00 178.44 179.19 1isc h GLU 53 N 1.09 0.95 -0.52 1.25 3.07 -1.96 -1.43 114.58 117.03 1isc h GLU 53 Ca 0.28 -0.29 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1isc h GLU 53 Cb 0.02 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 1isc h GLU 53 CO -0.05 0.94 0.03 0.93 -1.40 0.00 0.00 179.01 179.47 1isc h GLU 54 N 0.87 0.90 -0.25 2.33 5.08 -1.76 -0.93 114.58 120.82 1isc h GLU 54 Ca 0.16 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1isc h GLU 54 Cb 0.53 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1isc h GLU 54 CO 0.03 0.91 0.13 0.82 -1.00 0.00 0.00 179.01 179.90 1isc h ILE 55 N 0.78 1.13 -0.84 3.13 2.04 -0.98 -1.86 117.51 120.90 1isc h ILE 55 Ca 0.15 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1isc h ILE 55 Cb 0.49 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1isc h ILE 55 CO 0.02 0.13 0.56 0.40 0.00 0.00 0.00 178.15 179.26 1isc h ILE 56 N 0.28 1.19 0.00 -0.67 2.04 -1.00 -1.86 117.51 117.50 1isc h ILE 56 Ca 0.09 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1isc h ILE 56 Cb 0.09 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1isc h ILE 56 CO -0.01 0.20 -0.06 0.54 0.00 0.00 0.00 178.15 178.82 1isc n ARG 57 N -4.42 0.07 -0.00 2.37 1.74 -0.38 -3.91 116.66 112.13 1isc n ARG 57 Ca 0.10 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1isc n ARG 57 Cb 0.05 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 1isc n ARG 57 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1isc n SER 58 N -1.69 1.31 -4.76 0.55 3.41 -0.73 -5.07 113.62 106.65 1isc n SER 58 Ca 0.06 -1.30 -0.29 0.00 -0.26 0.00 0.00 58.87 57.08 1isc n SER 58 Cb 0.36 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 1isc n SER 58 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1isc s SER 59 N -0.31 4.25 0.34 4.04 1.04 -0.77 -5.06 113.70 117.24 1isc s SER 59 Ca 0.00 -1.37 0.01 0.00 0.48 0.00 0.00 55.95 55.07 1isc s SER 59 Cb 0.00 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1isc s SER 59 CO 0.00 -0.74 0.42 -1.83 0.98 0.00 0.00 173.24 172.07 1isc s GLU 60 N -3.93 1.89 3.65 4.02 -1.05 -1.26 -4.77 118.70 117.25 1isc s GLU 60 Ca 0.26 -1.85 0.00 0.00 -0.15 0.00 0.00 54.97 53.23 1isc s GLU 60 Cb 0.03 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 1isc s GLU 60 CO 0.14 -0.76 0.00 0.41 0.95 0.00 0.00 175.26 176.01 1isc n GLY 61 N -0.59 0.40 0.26 -3.83 0.00 -1.26 -3.08 105.19 97.09 1isc n GLY 61 Ca 0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 1isc n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1isc h GLY 62 N 0.00 0.59 0.86 -0.02 0.00 -2.00 -0.29 103.07 102.21 1isc h GLY 62 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1isc h GLY 62 CO 0.00 0.36 0.04 -2.08 0.00 0.00 0.00 176.54 174.86 1isc h VAL 63 N 0.51 1.16 0.17 4.60 2.07 -1.97 -1.77 116.25 121.02 1isc h VAL 63 Ca 0.10 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1isc h VAL 63 Cb 0.43 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1isc h VAL 63 CO 0.02 0.14 -0.09 0.15 0.02 0.00 0.00 177.57 177.81 1isc h PHE 64 N 0.01 -0.23 -0.87 1.57 3.57 -1.42 -0.73 116.94 118.83 1isc h PHE 64 Ca 0.04 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1isc h PHE 64 Cb 0.19 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 1isc h PHE 64 CO -0.01 -0.14 0.56 -0.91 -2.23 0.00 0.00 178.31 175.57 1isc h ASN 65 N -0.24 0.90 -0.07 0.41 2.35 -0.92 0.70 115.58 118.71 1isc h ASN 65 Ca -0.02 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 1isc h ASN 65 Cb 0.19 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.38 1isc h ASN 65 CO 0.03 0.60 -0.52 0.78 -1.65 0.00 0.00 177.43 176.67 1isc h ASN 66 N 1.05 0.58 -0.14 5.81 4.21 -1.25 -2.40 115.58 123.44 1isc h ASN 66 Ca 0.36 -0.68 -0.00 0.00 1.21 0.00 0.00 56.30 57.19 1isc h ASN 66 Cb 0.07 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.09 1isc h ASN 66 CO -0.14 1.17 0.07 0.00 -1.29 0.00 0.00 177.43 177.24 1isc h ALA 67 N 0.42 0.18 -0.50 -0.83 0.00 -0.91 -1.29 119.26 116.33 1isc h ALA 67 Ca -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1isc h ALA 67 Cb 1.19 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1isc h ALA 67 CO 0.11 -0.28 0.27 0.00 0.00 0.00 0.00 179.25 179.35 1isc h ALA 68 N 0.96 0.64 -0.37 0.00 0.00 -0.95 -2.36 119.26 117.18 1isc h ALA 68 Ca 0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1isc h ALA 68 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1isc h ALA 68 CO -0.01 0.17 0.02 1.96 0.00 0.00 0.00 179.25 181.39 1isc h GLN 69 N 0.67 0.57 -0.08 0.00 1.08 -1.27 0.80 115.11 116.88 1isc h GLN 69 Ca 0.18 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1isc h GLN 69 Cb 0.05 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1isc h GLN 69 CO -0.03 0.58 0.05 0.28 -0.95 0.00 0.00 178.83 178.76 1isc h VAL 70 N 0.55 1.07 -0.29 -0.54 2.07 -0.79 -2.22 116.25 116.10 1isc h VAL 70 Ca 0.12 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1isc h VAL 70 Cb 0.32 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1isc h VAL 70 CO 0.01 0.06 0.01 -0.25 0.02 0.00 0.00 177.57 177.42 1isc h TRP 71 N 0.05 0.55 -0.71 1.57 7.01 -1.15 -2.60 115.95 120.67 1isc h TRP 71 Ca 0.03 -0.09 0.02 0.00 2.11 0.00 0.00 58.89 60.95 1isc h TRP 71 Cb 0.06 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 26.94 1isc h TRP 71 CO -0.05 0.64 0.46 -0.91 -2.79 0.00 0.00 178.44 175.80 1isc h ASN 72 N 0.30 0.79 0.26 2.65 2.35 -0.82 -1.59 115.58 119.52 1isc h ASN 72 Ca 0.08 -0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.62 1isc h ASN 72 Cb 0.42 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1isc h ASN 72 CO 0.01 0.56 -0.79 0.45 -1.65 0.00 0.00 177.43 176.02 1isc h HIS 73 N 0.93 0.59 -0.78 1.19 3.86 -1.32 -1.04 115.15 118.58 1isc h HIS 73 Ca 0.27 -0.28 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1isc h HIS 73 Cb -0.06 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.29 1isc h HIS 73 CO -0.03 1.05 0.48 1.15 0.86 0.00 0.00 177.93 181.45 1isc h THR 74 N 0.28 1.21 -0.27 2.45 2.02 -1.05 -0.56 112.91 116.98 1isc h THR 74 Ca -0.04 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1isc h THR 74 Cb 1.39 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1isc h THR 74 CO 0.14 0.22 0.11 0.15 0.37 0.00 0.00 175.52 176.50 1isc h PHE 75 N 1.06 0.42 -0.45 3.16 3.57 -1.26 -2.50 116.94 120.95 1isc h PHE 75 Ca 0.28 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1isc h PHE 75 Cb -0.06 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 1isc h PHE 75 CO -0.01 0.42 0.20 -0.92 -2.23 0.00 0.00 178.31 175.77 1isc h TYR 76 N 0.29 0.36 -0.18 0.41 3.20 -0.63 -1.56 116.97 118.86 1isc h TYR 76 Ca 0.09 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 1isc h TYR 76 Cb 0.18 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1isc h TYR 76 CO -0.01 0.16 -0.02 -1.49 -1.64 0.00 0.00 178.16 175.16 1isc h TRP 77 N 0.40 0.26 0.00 -3.82 -0.00 -0.99 -1.77 115.95 110.03 1isc h TRP 77 Ca 0.20 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 59.06 1isc h TRP 77 Cb 0.15 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 29.22 1isc h TRP 77 CO -0.12 0.30 -0.08 -0.91 -0.00 0.00 0.00 178.44 177.62 1isc h ASN 78 N 0.26 0.00 0.77 -3.49 -0.26 -0.93 -2.87 115.58 109.05 1isc h ASN 78 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1isc h ASN 78 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 1isc h ASN 78 CO 0.01 0.08 0.00 0.00 -1.06 0.00 0.00 177.43 176.46 1isc s LEU 80 N -2.98 2.61 -0.01 0.00 1.43 -1.09 -0.99 118.68 117.67 1isc s LEU 80 Ca 0.12 -0.57 -0.27 0.00 -1.03 0.00 0.00 54.13 52.37 1isc s LEU 80 Cb 0.15 -1.48 0.06 0.00 0.03 0.00 0.00 46.19 44.95 1isc s LEU 80 CO 0.42 0.19 0.62 0.00 0.23 0.00 0.00 176.35 177.80 1isc s ALA 81 N -1.09 -1.60 0.70 4.21 0.00 0.47 -4.72 121.76 119.73 1isc s ALA 81 Ca 0.17 1.04 -0.14 0.00 0.00 0.00 0.00 51.96 53.03 1isc s ALA 81 Cb -0.10 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1isc s ALA 81 CO 0.09 -0.42 1.13 -1.25 0.00 0.00 0.00 175.76 175.30 1isc s PRO 82 N -1.66 2.53 -1.40 0.00 0.04 -1.26 -4.03 135.00 129.21 1isc s PRO 82 Ca -0.09 1.43 -0.08 0.00 0.04 0.00 0.00 61.00 62.29 1isc s PRO 82 Cb -0.01 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.66 1isc s PRO 82 CO 0.05 -1.47 0.99 0.09 0.04 0.00 0.00 177.00 176.70 1isc n ASN 83 N -2.71 -4.20 0.00 6.66 5.03 -1.26 -4.93 115.26 113.84 1isc n ASN 83 Ca 0.11 -0.70 0.00 0.00 0.87 0.00 0.00 54.58 54.85 1isc n ASN 83 Cb 0.52 -4.38 0.00 0.00 -1.02 0.00 0.00 39.78 34.90 1isc n ASN 83 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1isc n ALA 84 N -4.63 0.00 -0.14 5.41 0.00 -1.26 -5.12 120.51 114.77 1isc n ALA 84 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1isc n ALA 84 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1isc n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isc n GLY 85 N 0.12 -1.11 7.00 0.00 0.00 0.09 -4.76 105.19 106.52 1isc n GLY 85 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1isc n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isc n GLY 86 N 0.00 -1.02 3.82 -0.02 0.00 -1.23 -4.83 105.19 101.91 1isc n GLY 86 Ca 0.00 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 1isc n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1isc s GLU 87 N 0.00 4.13 0.79 1.61 2.02 -1.26 -5.01 118.70 120.98 1isc s GLU 87 Ca 0.00 0.65 -0.11 0.00 0.02 0.00 0.00 54.97 55.54 1isc s GLU 87 Cb 0.00 -3.20 0.06 0.00 0.10 0.00 0.00 34.13 31.10 1isc s GLU 87 CO 0.00 0.63 1.09 -1.25 0.02 0.00 0.00 175.26 175.75 1isc s PRO 88 N -1.21 2.15 0.39 0.39 0.04 -1.26 -5.08 135.00 130.41 1isc s PRO 88 Ca 0.29 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.51 1isc s PRO 88 Cb -0.18 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1isc s PRO 88 CO 0.18 -1.71 0.16 0.95 0.04 0.00 0.00 177.00 176.62 1isc s THR 89 N -2.91 0.45 0.00 1.26 -4.23 -1.26 -4.60 115.64 104.35 1isc s THR 89 Ca 0.61 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1isc s THR 89 Cb -0.17 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1isc s THR 89 CO 0.56 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 1isc n GLY 90 N -0.83 0.62 0.30 3.99 0.00 -1.26 -2.94 105.19 105.06 1isc n GLY 90 Ca -0.03 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.11 1isc n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1isc h LYS 91 N 0.00 0.92 -0.17 1.61 1.79 -1.99 -2.13 116.57 116.61 1isc h LYS 91 Ca 0.00 -0.25 -0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1isc h LYS 91 Cb 0.00 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 1isc h LYS 91 CO 0.00 0.89 0.09 0.28 -1.08 0.00 0.00 179.45 179.63 1isc h VAL 92 N 0.86 1.11 -0.82 0.50 2.07 -1.97 0.03 116.25 118.04 1isc h VAL 92 Ca 0.17 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1isc h VAL 92 Cb 0.46 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1isc h VAL 92 CO 0.02 0.10 0.53 0.00 0.02 0.00 0.00 177.57 178.24 1isc h ALA 93 N 0.98 1.06 -0.38 1.67 0.00 -1.36 -0.84 119.26 120.38 1isc h ALA 93 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1isc h ALA 93 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1isc h ALA 93 CO -0.01 0.38 0.06 0.93 0.00 0.00 0.00 179.25 180.62 1isc h GLU 94 N 1.05 0.62 -0.57 0.00 5.08 -1.03 -0.58 114.58 119.15 1isc h GLU 94 Ca 0.32 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1isc h GLU 94 Cb -0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1isc h GLU 94 CO -0.10 0.68 0.00 0.00 -1.00 0.00 0.00 179.01 178.60 1isc h ALA 95 N 0.92 0.92 -0.34 3.43 0.00 -0.67 -1.47 119.26 122.05 1isc h ALA 95 Ca 0.12 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1isc h ALA 95 Cb 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1isc h ALA 95 CO 0.01 0.65 0.02 0.82 0.00 0.00 0.00 179.25 180.74 1isc h ILE 96 N 0.91 1.25 -0.71 0.00 2.04 -1.02 -2.16 117.51 117.82 1isc h ILE 96 Ca 0.17 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 1isc h ILE 96 Cb 0.53 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1isc h ILE 96 CO 0.03 0.30 0.37 0.00 0.00 0.00 0.00 178.15 178.85 1isc h ALA 97 N 0.87 0.91 -0.16 1.87 0.00 -1.01 -0.44 119.26 121.30 1isc h ALA 97 Ca 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1isc h ALA 97 Cb 0.42 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1isc h ALA 97 CO 0.01 0.45 -0.06 0.00 0.00 0.00 0.00 179.25 179.65 1isc h ALA 98 N 1.18 1.61 0.00 0.00 0.00 -1.16 0.10 119.26 121.00 1isc h ALA 98 Ca 0.25 -0.15 -0.34 0.00 0.00 0.00 0.00 54.91 54.66 1isc h ALA 98 Cb 0.07 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1isc h ALA 98 CO -0.04 0.29 -2.17 0.43 0.00 0.00 0.00 179.25 177.76 1isc n SER 99 N -4.34 0.32 -0.19 0.00 7.64 -0.82 -4.61 113.62 111.61 1isc n SER 99 Ca -0.01 0.14 0.03 0.00 1.01 0.00 0.00 58.87 60.04 1isc n SER 99 Cb 0.21 0.62 0.01 0.00 -1.01 0.00 0.00 64.21 64.05 1isc n SER 99 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1isc n PHE 100 N -2.86 0.00 0.00 1.43 3.72 -0.20 -4.98 117.46 114.57 1isc n PHE 100 Ca -0.28 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 1isc n PHE 100 Cb 1.12 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.66 1isc n PHE 100 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1isc n GLY 101 N 0.54 2.67 3.68 1.37 0.00 0.35 -4.55 105.19 109.26 1isc n GLY 101 Ca 0.03 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 1isc n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1isc s SER 102 N 0.00 -0.19 0.17 1.61 1.04 -1.26 -4.77 113.70 110.30 1isc s SER 102 Ca 0.00 -0.72 -0.10 0.00 0.48 0.00 0.00 55.95 55.60 1isc s SER 102 Cb 0.00 0.64 0.04 0.00 0.10 0.00 0.00 66.02 66.80 1isc s SER 102 CO 0.00 -1.21 1.61 0.15 0.98 0.00 0.00 173.24 174.77 1isc h PHE 103 N 2.14 1.11 -0.94 5.02 3.57 -1.92 -2.19 116.94 123.73 1isc h PHE 103 Ca -0.24 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 1isc h PHE 103 Cb 1.25 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 1isc h PHE 103 CO 0.40 1.02 0.56 0.00 -2.23 0.00 0.00 178.31 178.06 1isc h ALA 104 N 0.95 1.21 -0.41 2.41 0.00 -1.96 -0.55 119.26 120.90 1isc h ALA 104 Ca 0.15 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1isc h ALA 104 Cb 0.60 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1isc h ALA 104 CO 0.04 0.67 -0.09 -0.44 0.00 0.00 0.00 179.25 179.43 1isc h ASP 105 N 1.31 0.79 0.10 0.00 3.32 -1.81 -2.29 116.42 117.84 1isc h ASP 105 Ca 0.34 -0.36 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1isc h ASP 105 Cb -0.04 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1isc h ASP 105 CO -0.06 0.96 -0.13 0.15 -1.72 0.00 0.00 179.24 178.44 1isc h PHE 106 N 0.61 -0.34 -0.81 4.55 3.57 -1.01 -1.54 116.94 121.97 1isc h PHE 106 Ca 0.11 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.69 1isc h PHE 106 Cb 0.61 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 1isc h PHE 106 CO 0.05 -0.20 0.47 -0.22 -2.23 0.00 0.00 178.31 176.18 1isc h LYS 107 N -0.28 0.81 -0.36 1.11 3.64 -1.10 0.11 116.57 120.50 1isc h LYS 107 Ca 0.01 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1isc h LYS 107 Cb 0.28 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1isc h LYS 107 CO -0.06 0.53 0.07 0.00 -2.27 0.00 0.00 179.45 177.73 1isc h ALA 108 N 1.42 0.48 -0.26 5.00 0.00 -1.28 -0.98 119.26 123.64 1isc h ALA 108 Ca 0.37 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1isc h ALA 108 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1isc h ALA 108 CO -0.21 0.17 -0.42 1.96 0.00 0.00 0.00 179.25 180.74 1isc h GLN 109 N 0.44 0.64 -0.17 0.00 4.20 -0.70 -1.50 115.11 118.02 1isc h GLN 109 Ca 0.11 -0.34 -0.09 0.00 0.06 0.00 0.00 58.65 58.39 1isc h GLN 109 Cb 0.33 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1isc h GLN 109 CO 0.00 0.94 -0.24 0.35 -0.67 0.00 0.00 178.83 179.22 1isc h PHE 110 N 0.52 0.56 -0.59 2.96 3.04 -0.72 -2.10 116.94 120.62 1isc h PHE 110 Ca 0.04 -0.19 0.03 0.00 3.98 0.00 0.00 57.97 61.84 1isc h PHE 110 Cb 0.95 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.30 1isc h PHE 110 CO 0.04 0.87 0.35 1.15 -2.02 0.00 0.00 178.31 178.70 1isc h THR 111 N 0.10 1.04 -0.32 4.41 2.02 -1.16 -1.87 112.91 117.12 1isc h THR 111 Ca 0.02 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1isc h THR 111 Cb 0.81 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1isc h THR 111 CO 0.06 0.12 0.13 -0.78 0.37 0.00 0.00 175.52 175.42 1isc h ASP 112 N 0.67 0.44 -0.99 4.18 3.58 -1.19 -1.17 116.42 121.95 1isc h ASP 112 Ca 0.24 -0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.54 1isc h ASP 112 Cb 0.06 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 40.94 1isc h ASP 112 CO -0.12 0.48 0.65 0.00 -2.88 0.00 0.00 179.24 177.37 1isc h ALA 113 N 0.98 1.28 -0.21 -0.78 0.00 -1.26 -1.34 119.26 117.93 1isc h ALA 113 Ca 0.11 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1isc h ALA 113 Cb 0.18 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1isc h ALA 113 CO -0.01 0.66 -0.54 0.00 0.00 0.00 0.00 179.25 179.36 1isc h ALA 114 N 1.37 0.65 -0.34 0.00 0.00 -0.99 -2.32 119.26 117.64 1isc h ALA 114 Ca 0.36 -0.51 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1isc h ALA 114 Cb -0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1isc h ALA 114 CO -0.08 0.69 -0.41 0.82 0.00 0.00 0.00 179.25 180.27 1isc h ILE 115 N 0.49 1.28 -0.00 0.00 2.04 -0.94 -3.16 117.51 117.21 1isc h ILE 115 Ca 0.01 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.28 1isc h ILE 115 Cb 1.10 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1isc h ILE 115 CO 0.11 0.52 -0.08 0.29 0.00 0.00 0.00 178.15 178.99 1isc n LYS 116 N -4.04 0.44 -1.87 2.37 5.02 -0.53 -4.78 118.16 114.77 1isc n LYS 116 Ca -0.02 -0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.76 1isc n LYS 116 Cb 0.55 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 1isc n LYS 116 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1isc s ASN 117 N -2.62 5.51 0.08 4.39 2.47 -0.88 -4.91 114.94 118.98 1isc s ASN 117 Ca 0.25 1.22 -0.30 0.00 0.42 0.00 0.00 52.86 54.45 1isc s ASN 117 Cb 0.20 -2.52 -0.06 0.00 -1.45 0.00 0.00 41.25 37.42 1isc s ASN 117 CO 0.49 -2.03 1.11 0.12 -3.72 0.00 0.00 177.10 173.08 1isc s PHE 118 N 8.24 3.55 0.00 0.43 5.36 -1.26 -4.81 117.98 129.49 1isc s PHE 118 Ca 0.84 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 58.31 1isc s PHE 118 Cb -0.22 -3.29 0.00 0.00 -0.34 0.00 0.00 43.02 39.17 1isc s PHE 118 CO 0.31 -0.72 0.00 0.41 -1.46 0.00 0.00 175.22 173.75 1isc n GLY 119 N 2.77 -0.68 3.81 13.12 0.00 -1.26 -4.85 105.19 118.10 1isc n GLY 119 Ca 0.06 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 1isc n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1isc s SER 120 N -4.00 7.07 0.00 1.61 0.01 -1.26 -4.69 113.70 112.43 1isc s SER 120 Ca 0.00 1.33 0.00 0.00 1.31 0.00 0.00 55.95 58.59 1isc s SER 120 Cb 0.00 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1isc s SER 120 CO 0.00 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.43 1isc n GLY 121 N 1.27 -0.65 3.09 3.44 0.00 -1.26 -0.64 105.19 110.44 1isc n GLY 121 Ca -0.07 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 1isc n GLY 121 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1isc s TRP 122 N -3.00 0.01 -0.03 1.61 0.52 -0.75 -1.01 118.94 116.29 1isc s TRP 122 Ca 0.00 -0.06 0.04 0.00 0.02 0.00 0.00 56.10 56.11 1isc s TRP 122 Cb 0.00 -0.03 -0.00 0.00 -1.15 0.00 0.00 33.47 32.28 1isc s TRP 122 CO 0.00 -0.25 -0.16 0.99 0.02 0.00 0.00 176.95 177.55 1isc s THR 123 N -1.16 1.32 0.02 2.01 2.01 -1.04 -0.63 115.64 118.17 1isc s THR 123 Ca -0.12 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.26 1isc s THR 123 Cb -0.07 -1.13 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 1isc s THR 123 CO 0.01 0.38 -0.16 0.26 -0.69 0.00 0.00 174.62 174.42 1isc s TRP 124 N -0.03 1.43 -0.21 4.92 0.52 0.39 -1.66 118.94 124.30 1isc s TRP 124 Ca -0.01 -0.32 -0.12 0.00 0.02 0.00 0.00 56.10 55.66 1isc s TRP 124 Cb -0.10 -0.88 -0.05 0.00 -1.15 0.00 0.00 33.47 31.29 1isc s TRP 124 CO 0.01 0.03 0.21 -1.17 0.02 0.00 0.00 176.95 176.05 1isc s LEU 125 N -0.85 4.16 0.15 2.99 2.96 -0.34 -1.49 118.68 126.26 1isc s LEU 125 Ca 0.05 0.27 0.07 0.00 -0.22 0.00 0.00 54.13 54.29 1isc s LEU 125 Cb -0.07 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 1isc s LEU 125 CO 0.01 0.07 -0.15 0.68 -1.32 0.00 0.00 176.35 175.65 1isc s VAL 126 N 0.84 1.51 -0.32 1.68 -7.23 0.12 -0.76 120.40 116.23 1isc s VAL 126 Ca 0.11 -1.91 -0.11 0.00 -1.81 0.00 0.00 61.98 58.26 1isc s VAL 126 Cb -0.13 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 1isc s VAL 126 CO 0.03 -0.47 0.20 -0.75 -0.31 0.00 0.00 175.10 173.80 1isc s LYS 127 N -3.03 3.43 1.01 4.82 2.20 0.31 -1.00 119.74 127.48 1isc s LYS 127 Ca 0.14 -0.67 -0.14 0.00 -0.36 0.00 0.00 55.97 54.94 1isc s LYS 127 Cb -0.03 -3.68 0.19 0.00 -1.51 0.00 0.00 37.83 32.80 1isc s LYS 127 CO 0.04 -0.42 1.12 -0.80 -0.36 0.00 0.00 175.35 174.93 1isc s ASN 128 N 1.67 2.57 0.48 1.43 0.01 -0.00 -0.82 114.94 120.27 1isc s ASN 128 Ca 0.05 0.94 0.13 0.00 -0.71 0.00 0.00 52.86 53.27 1isc s ASN 128 Cb -0.17 -1.46 1.11 0.00 0.41 0.00 0.00 41.25 41.14 1isc s ASN 128 CO 0.08 -3.14 2.11 0.77 -1.51 0.00 0.00 177.10 175.42 1isc h SER 129 N -1.90 0.17 -0.16 -1.22 4.64 -1.88 -1.37 113.55 111.83 1isc h SER 129 Ca -0.51 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1isc h SER 129 Cb 1.32 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1isc h SER 129 CO 0.54 0.13 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 1isc n ASP 130 N -4.51 1.54 0.00 4.97 5.68 -1.26 -4.92 116.55 118.05 1isc n ASP 130 Ca -0.01 -2.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.18 1isc n ASP 130 Cb 0.08 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1isc n ASP 130 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1isc n GLY 131 N 0.49 3.13 3.80 6.12 0.00 -0.52 -5.01 105.19 113.20 1isc n GLY 131 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1isc n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isc s LYS 132 N -0.25 3.56 0.14 1.61 1.02 -1.26 -4.69 119.74 119.86 1isc s LYS 132 Ca 0.00 1.33 -0.05 0.00 0.02 0.00 0.00 55.97 57.28 1isc s LYS 132 Cb 0.00 -2.06 -0.05 0.00 -0.52 0.00 0.00 37.83 35.20 1isc s LYS 132 CO 0.00 -0.63 0.37 -0.51 -0.92 0.00 0.00 175.35 173.66 1isc s LEU 133 N -3.91 4.27 0.06 3.17 1.43 -1.26 -0.82 118.68 121.63 1isc s LEU 133 Ca 0.67 0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 54.25 1isc s LEU 133 Cb -0.17 -3.28 -0.00 0.00 0.03 0.00 0.00 46.19 42.76 1isc s LEU 133 CO 0.27 0.06 0.18 0.00 0.23 0.00 0.00 176.35 177.09 1isc s ALA 134 N -1.65 -0.26 -0.19 4.21 0.00 -0.17 -4.91 121.76 118.79 1isc s ALA 134 Ca 0.40 -0.47 -0.08 0.00 0.00 0.00 0.00 51.96 51.82 1isc s ALA 134 Cb -0.12 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1isc s ALA 134 CO 0.25 -0.42 0.07 0.42 0.00 0.00 0.00 175.76 176.08 1isc s ILE 135 N -3.17 4.86 0.03 0.00 1.01 -1.26 -0.70 121.20 121.97 1isc s ILE 135 Ca -0.00 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.68 1isc s ILE 135 Cb 0.02 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 1isc s ILE 135 CO -0.07 0.45 -0.11 0.68 0.00 0.00 0.00 174.94 175.89 1isc s VAL 136 N 0.42 0.86 -0.04 2.92 -7.23 -0.56 -4.97 120.40 111.80 1isc s VAL 136 Ca 0.04 -0.85 0.03 0.00 -1.81 0.00 0.00 61.98 59.39 1isc s VAL 136 Cb -0.12 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 35.99 1isc s VAL 136 CO 0.00 -0.04 -0.12 -0.44 -0.31 0.00 0.00 175.10 174.19 1isc s SER 137 N -1.00 4.19 0.30 4.85 0.01 -1.26 -0.46 113.70 120.33 1isc s SER 137 Ca -0.01 -0.17 0.11 0.00 1.31 0.00 0.00 55.95 57.19 1isc s SER 137 Cb -0.07 -0.91 -0.05 0.00 0.21 0.00 0.00 66.02 65.19 1isc s SER 137 CO 0.01 0.34 -0.15 0.42 0.41 0.00 0.00 173.24 174.27 1isc s THR 138 N -0.79 2.45 -0.09 1.44 -4.23 0.20 -4.99 115.64 109.63 1isc s THR 138 Ca 0.12 -2.30 -0.04 0.00 -1.18 0.00 0.00 61.69 58.30 1isc s THR 138 Cb -0.11 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 1isc s THR 138 CO 0.02 -0.32 0.07 -0.55 -0.54 0.00 0.00 174.62 173.29 1isc s SER 139 N -3.56 5.75 1.00 3.99 0.15 -1.26 -1.81 113.70 117.96 1isc s SER 139 Ca 0.31 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1isc s SER 139 Cb -0.02 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 1isc s SER 139 CO 0.16 0.38 0.00 0.59 1.20 0.00 0.00 173.24 175.57 1isc n ASN 140 N 1.96 0.00 -1.10 5.45 5.03 0.19 -1.20 115.26 125.59 1isc n ASN 140 Ca -0.18 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.38 1isc n ASN 140 Cb 0.54 0.00 0.21 0.00 -1.02 0.00 0.00 39.78 39.51 1isc n ASN 140 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1isc n ALA 141 N 8.47 2.40 -1.70 5.41 0.00 -1.26 -4.40 120.51 129.43 1isc n ALA 141 Ca 0.00 -1.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.02 1isc n ALA 141 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1isc n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isc n GLY 142 N 1.40 0.56 2.98 0.00 0.00 -0.34 -4.59 105.19 105.21 1isc n GLY 142 Ca 0.18 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 1isc n GLY 142 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1isc s THR 143 N -1.15 0.04 0.01 2.61 -1.32 -1.26 -4.70 115.64 109.87 1isc s THR 143 Ca 0.58 -0.33 0.26 0.00 -1.21 0.00 0.00 61.69 60.99 1isc s THR 143 Cb -0.53 -0.19 0.26 0.00 -1.51 0.00 0.00 72.50 70.52 1isc s THR 143 CO 0.60 -0.18 1.79 -0.65 -2.21 0.00 0.00 174.62 173.97 1isc h PRO 144 N 5.43 0.00 -0.01 7.08 0.11 -1.95 -2.68 132.00 139.97 1isc h PRO 144 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1isc h PRO 144 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1isc h PRO 144 CO 0.44 0.00 0.09 -0.07 -0.21 0.00 0.00 178.00 178.25 1isc h LEU 145 N 0.00 0.00 -0.36 2.35 3.38 -1.96 0.96 115.31 119.68 1isc h LEU 145 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1isc h LEU 145 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1isc h LEU 145 CO 0.00 0.00 -0.03 0.35 0.09 0.00 0.00 178.44 178.85 1isc n THR 146 N -3.15 0.00 -3.81 0.22 -2.24 -1.01 -4.85 114.28 99.44 1isc n THR 146 Ca -0.02 -0.09 -0.02 0.00 -2.27 0.00 0.00 64.05 61.64 1isc n THR 146 Cb 0.16 -0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1isc n THR 146 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1isc n THR 147 N -0.62 0.00 1.18 4.28 -2.24 0.33 -5.04 114.28 112.17 1isc n THR 147 Ca 0.20 -0.14 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 1isc n THR 147 Cb 0.23 -0.20 0.37 0.00 -2.10 0.00 0.00 70.33 68.63 1isc n THR 147 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1isc n ASP 148 N -1.46 2.00 -4.86 3.42 5.75 -1.26 -4.93 116.55 115.21 1isc n ASP 148 Ca -0.01 -1.71 -0.35 0.00 -0.01 0.00 0.00 54.79 52.71 1isc n ASP 148 Cb 0.04 -0.07 -0.06 0.00 -1.03 0.00 0.00 41.12 40.00 1isc n ASP 148 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1isc s ALA 149 N -1.85 3.70 -0.23 2.12 0.00 -1.26 -4.16 121.76 120.07 1isc s ALA 149 Ca 0.35 -0.33 -0.16 0.00 0.00 0.00 0.00 51.96 51.82 1isc s ALA 149 Cb 0.20 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 1isc s ALA 149 CO 0.30 0.54 0.43 0.99 0.00 0.00 0.00 175.76 178.02 1isc s THR 150 N -1.36 5.16 0.23 0.00 2.01 -0.00 -4.57 115.64 117.11 1isc s THR 150 Ca 0.32 0.74 -0.30 0.00 0.31 0.00 0.00 61.69 62.76 1isc s THR 150 Cb -0.14 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 1isc s THR 150 CO 0.17 0.19 1.22 -2.16 -0.69 0.00 0.00 174.62 173.35 1isc s PRO 151 N 1.73 4.48 -0.06 4.92 0.04 -1.26 -0.53 135.00 144.32 1isc s PRO 151 Ca 0.19 1.96 0.04 0.00 0.04 0.00 0.00 61.00 63.23 1isc s PRO 151 Cb -0.15 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 1isc s PRO 151 CO 0.09 -0.08 -0.00 1.28 0.04 0.00 0.00 177.00 178.33 1isc n LEU 152 N 1.97 0.82 -3.62 -3.56 4.77 0.06 -4.87 117.00 112.56 1isc n LEU 152 Ca 0.03 -0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.84 1isc n LEU 152 Cb 0.44 0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1isc n LEU 152 CO 0.56 0.26 0.29 -0.22 -1.33 0.00 0.00 177.39 176.95 1isc s LEU 153 N -4.66 -0.15 0.10 2.23 2.96 -1.13 -4.39 118.68 113.63 1isc s LEU 153 Ca -0.04 0.67 -0.07 0.00 -0.22 0.00 0.00 54.13 54.46 1isc s LEU 153 Cb 0.02 2.07 -0.01 0.00 0.50 0.00 0.00 46.19 48.76 1isc s LEU 153 CO 0.20 -0.46 0.16 0.28 -1.32 0.00 0.00 176.35 175.21 1isc s THR 154 N -0.84 0.14 -0.03 3.68 -1.32 -1.26 -1.20 115.64 114.81 1isc s THR 154 Ca -0.09 -1.37 0.02 0.00 -1.21 0.00 0.00 61.69 59.04 1isc s THR 154 Cb -0.02 -1.51 0.01 0.00 -1.51 0.00 0.00 72.50 69.47 1isc s THR 154 CO 0.06 -0.63 -0.07 0.54 -2.21 0.00 0.00 174.62 172.30 1isc s VAL 155 N -3.90 0.67 -0.23 5.08 0.11 -0.66 -4.88 120.40 116.59 1isc s VAL 155 Ca 0.09 -0.29 -0.26 0.00 -2.93 0.00 0.00 61.98 58.59 1isc s VAL 155 Cb 0.05 -0.61 -0.00 0.00 -1.53 0.00 0.00 36.38 34.29 1isc s VAL 155 CO -0.08 0.22 0.91 -0.62 -3.33 0.00 0.00 175.10 172.20 1isc s ASP 156 N 0.30 6.95 -0.11 3.54 -1.08 -1.26 -2.49 116.67 122.51 1isc s ASP 156 Ca -0.04 1.18 0.14 0.00 -0.52 0.00 0.00 52.55 53.31 1isc s ASP 156 Cb -0.09 -2.48 0.40 0.00 -1.46 0.00 0.00 42.92 39.29 1isc s ASP 156 CO 0.00 -0.55 1.31 1.33 0.52 0.00 0.00 175.17 177.78 1isc n VAL 157 N 5.20 1.82 -1.71 1.11 0.24 -0.18 -4.80 118.33 120.01 1isc n VAL 157 Ca 0.08 -1.66 -0.40 0.00 -2.04 0.00 0.00 64.34 60.32 1isc n VAL 157 Cb 0.47 -0.01 0.02 0.00 -1.47 0.00 0.00 33.84 32.85 1isc n VAL 157 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1isc n TRP 158 N -0.41 2.12 0.15 6.34 7.02 -1.19 -4.42 117.44 127.06 1isc n TRP 158 Ca 0.16 0.47 0.05 0.00 -1.02 0.00 0.00 57.50 57.17 1isc n TRP 158 Cb 0.69 -2.36 0.51 0.00 -2.42 0.00 0.00 31.31 27.73 1isc n TRP 158 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1isc h GLU 159 N 1.82 0.20 -0.04 -0.99 5.08 -1.93 -1.64 114.58 117.09 1isc h GLU 159 Ca -0.49 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1isc h GLU 159 Cb 1.30 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1isc h GLU 159 CO 0.59 0.20 0.12 1.12 -1.00 0.00 0.00 179.01 180.04 1isc h HIS 160 N 0.20 0.00 0.00 4.33 2.07 -1.97 0.29 115.15 120.07 1isc h HIS 160 Ca 0.05 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.51 1isc h HIS 160 Cb 0.10 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.07 1isc h HIS 160 CO 0.00 0.00 -0.28 0.00 -3.07 0.00 0.00 177.93 174.58 1isc h ALA 161 N 1.79 1.06 0.00 6.11 0.00 -1.60 -3.38 119.26 123.23 1isc h ALA 161 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1isc h ALA 161 Cb 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1isc h ALA 161 CO -0.00 0.35 -0.05 2.48 0.00 0.00 0.00 179.25 182.03 1isc n TYR 162 N -3.52 0.00 0.11 0.00 4.11 -0.80 -4.91 117.16 112.15 1isc n TYR 162 Ca -0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.94 1isc n TYR 162 Cb 0.44 0.00 0.46 0.00 -0.00 0.00 0.00 39.34 40.24 1isc n TYR 162 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1isc h TYR 163 N 0.00 0.29 -0.41 -3.48 3.20 -1.14 0.02 116.97 115.45 1isc h TYR 163 Ca 0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1isc h TYR 163 Cb 0.00 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 1isc h TYR 163 CO 0.00 0.27 0.13 0.82 -1.64 0.00 0.00 178.16 177.74 1isc h ILE 164 N 0.29 1.22 0.02 1.81 2.04 -1.85 -0.81 117.51 120.23 1isc h ILE 164 Ca 0.07 -0.71 -0.29 0.00 1.00 0.00 0.00 64.86 64.93 1isc h ILE 164 Cb 0.14 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1isc h ILE 164 CO -0.00 0.25 -1.65 0.44 0.00 0.00 0.00 178.15 177.19 1isc h ASP 165 N 0.52 0.07 0.00 1.72 3.32 -1.80 -3.40 116.42 116.85 1isc h ASP 165 Ca 0.13 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1isc h ASP 165 Cb 0.26 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1isc h ASP 165 CO -0.00 1.13 0.00 -1.22 -1.72 0.00 0.00 179.24 177.42 1isc n TYR 166 N -3.15 0.00 0.00 4.55 4.01 -0.06 -5.09 117.16 117.42 1isc n TYR 166 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1isc n TYR 166 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 1isc n TYR 166 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1isc n ARG 167 N -0.40 0.00 0.00 -0.72 5.12 -0.31 -1.33 116.66 119.02 1isc n ARG 167 Ca 0.00 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.06 1isc n ARG 167 Cb 0.02 0.00 0.60 0.00 -1.16 0.00 0.00 32.46 31.92 1isc n ARG 167 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1isc n ASN 168 N 4.41 0.43 -3.96 0.55 2.04 -1.26 -4.31 115.26 113.15 1isc n ASN 168 Ca 0.00 -0.50 -0.42 0.00 -0.44 0.00 0.00 54.58 53.22 1isc n ASN 168 Cb 0.00 -0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.16 1isc n ASN 168 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1isc n ALA 169 N -1.01 5.05 -0.14 -2.53 0.00 -0.44 -4.78 120.51 116.66 1isc n ALA 169 Ca 0.14 -4.04 0.08 0.00 0.00 0.00 0.00 53.44 49.62 1isc n ALA 169 Cb 0.28 -3.34 0.41 0.00 0.00 0.00 0.00 19.45 16.80 1isc n ALA 169 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1isc h ARG 170 N 6.26 0.60 -1.01 0.00 2.43 -1.84 -1.36 114.38 119.46 1isc h ARG 170 Ca 0.48 -0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.78 1isc h ARG 170 Cb 0.69 -0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 30.01 1isc h ARG 170 CO 1.69 0.39 0.62 -1.35 -1.51 0.00 0.00 179.97 179.81 1isc h PRO 171 N 0.61 0.81 -0.31 0.20 0.11 -1.97 -1.45 132.00 130.01 1isc h PRO 171 Ca 0.29 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.21 1isc h PRO 171 Cb 0.36 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1isc h PRO 171 CO -0.09 0.54 -0.41 0.78 -0.21 0.00 0.00 178.00 178.61 1isc h GLY 172 N 0.84 0.82 0.96 -0.55 0.00 -1.65 -1.19 103.07 102.30 1isc h GLY 172 Ca 0.56 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1isc h GLY 172 CO -0.35 0.76 0.21 -1.82 0.00 0.00 0.00 176.54 175.34 1isc h TYR 173 N 0.62 0.56 -0.22 5.60 3.20 -1.22 -2.04 116.97 123.46 1isc h TYR 173 Ca 0.05 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1isc h TYR 173 Cb 0.96 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1isc h TYR 173 CO 0.05 0.45 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.64 1isc h LEU 174 N 0.51 0.46 -0.70 2.82 -0.00 -0.96 -0.65 115.31 116.80 1isc h LEU 174 Ca 0.14 -0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 57.81 1isc h LEU 174 Cb 0.08 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 40.58 1isc h LEU 174 CO -0.02 0.75 0.31 -0.08 -0.00 0.00 0.00 178.44 179.41 1isc h GLU 175 N 0.39 1.03 0.00 1.13 4.81 -1.02 -2.59 114.58 118.33 1isc h GLU 175 Ca 0.05 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 1isc h GLU 175 Cb 0.74 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1isc h GLU 175 CO 0.06 0.83 -0.29 0.45 -0.73 0.00 0.00 179.01 179.33 1isc h HIS 176 N 0.99 0.00 -0.72 0.92 3.86 -0.89 -3.19 115.15 116.12 1isc h HIS 176 Ca 0.24 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.50 1isc h HIS 176 Cb 0.16 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.57 1isc h HIS 176 CO 0.01 0.29 0.42 0.35 0.86 0.00 0.00 177.93 179.87 1isc h PHE 177 N 0.00 0.78 0.00 2.45 3.57 -0.72 -2.65 116.94 120.37 1isc h PHE 177 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1isc h PHE 177 Cb 1.02 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 1isc h PHE 177 CO 0.00 0.39 -0.07 -1.49 -2.23 0.00 0.00 178.31 174.92 1isc h TRP 178 N 0.79 0.00 0.00 0.41 4.06 -1.52 0.18 115.95 119.86 1isc h TRP 178 Ca 0.31 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.26 1isc h TRP 178 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1isc h TRP 178 CO -0.06 0.07 0.00 0.00 -3.56 0.00 0.00 178.44 174.89 1isc n ALA 179 N -2.37 2.01 0.52 1.49 0.00 -1.00 -3.54 120.51 117.63 1isc n ALA 179 Ca -0.03 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.42 1isc n ALA 179 Cb 0.16 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.19 1isc n ALA 179 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1isc n LEU 180 N -1.70 0.80 -4.69 0.00 4.77 0.04 -3.50 117.00 112.72 1isc n LEU 180 Ca 0.05 -0.59 -0.42 0.00 -0.03 0.00 0.00 56.01 55.02 1isc n LEU 180 Cb 0.28 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1isc n LEU 180 CO 0.22 0.18 1.43 -0.69 -1.33 0.00 0.00 177.39 177.20 1isc s VAL 181 N -1.86 2.83 -0.74 4.08 1.01 -1.11 -0.39 120.40 124.21 1isc s VAL 181 Ca 0.06 0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 1isc s VAL 181 Cb 0.09 -3.15 0.11 0.00 0.00 0.00 0.00 36.38 33.42 1isc s VAL 181 CO 0.40 -0.00 0.93 0.21 0.00 0.00 0.00 175.10 176.63 1isc s ASN 182 N 2.84 6.37 0.41 3.32 3.04 -0.16 -0.73 114.94 130.02 1isc s ASN 182 Ca 0.79 -1.59 0.29 0.00 0.04 0.00 0.00 52.86 52.39 1isc s ASN 182 Cb -0.43 -2.36 1.25 0.00 -1.54 0.00 0.00 41.25 38.17 1isc s ASN 182 CO 0.35 -1.16 1.86 -0.50 -3.04 0.00 0.00 177.10 174.61 1isc h TRP 183 N 9.09 0.00 -0.35 0.43 4.06 -1.90 -2.07 115.95 125.21 1isc h TRP 183 Ca -0.12 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.73 1isc h TRP 183 Cb 1.06 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.20 1isc h TRP 183 CO 1.00 0.00 -0.20 0.93 -3.56 0.00 0.00 178.44 176.60 1isc h GLU 184 N 0.00 0.67 -0.39 0.49 5.08 -1.97 -1.55 114.58 116.91 1isc h GLU 184 Ca 0.00 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 57.97 1isc h GLU 184 Cb 0.37 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1isc h GLU 184 CO 0.00 0.82 -0.29 0.35 -1.00 0.00 0.00 179.01 178.89 1isc h PHE 185 N 0.59 1.04 -0.53 4.33 3.57 -1.67 -2.13 116.94 122.13 1isc h PHE 185 Ca 0.09 -0.29 0.02 0.00 3.53 0.00 0.00 57.97 61.32 1isc h PHE 185 Cb 0.67 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1isc h PHE 185 CO 0.03 1.09 0.33 0.28 -2.23 0.00 0.00 178.31 177.81 1isc h VAL 186 N 0.69 1.09 -0.99 1.41 2.07 -1.40 -0.98 116.25 118.14 1isc h VAL 186 Ca 0.07 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1isc h VAL 186 Cb 0.87 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 1isc h VAL 186 CO 0.08 0.12 0.65 0.00 0.02 0.00 0.00 177.57 178.44 1isc h ALA 187 N 1.22 1.31 -0.44 1.67 0.00 -1.22 0.14 119.26 121.94 1isc h ALA 187 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1isc h ALA 187 Cb -0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1isc h ALA 187 CO -0.07 0.57 0.20 -0.22 0.00 0.00 0.00 179.25 179.72 1isc h LYS 188 N 1.28 0.63 -0.10 0.00 3.64 -0.75 -2.90 116.57 118.36 1isc h LYS 188 Ca 0.39 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.51 1isc h LYS 188 Cb -0.03 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1isc h LYS 188 CO -0.12 0.55 -0.62 -0.91 -2.27 0.00 0.00 179.45 176.09 1isc h ASN 189 N 0.56 0.43 0.03 4.20 -0.26 -0.36 -3.01 115.58 117.16 1isc h ASN 189 Ca 0.15 -0.25 -0.01 0.00 -0.56 0.00 0.00 56.30 55.63 1isc h ASN 189 Cb 0.14 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.27 1isc h ASN 189 CO -0.02 0.94 -0.03 0.25 -1.06 0.00 0.00 177.43 177.51 1isc h LEU 190 N 0.28 0.02 0.00 1.61 5.85 -0.61 -2.59 115.31 119.86 1isc h LEU 190 Ca -0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1isc h LEU 190 Cb 1.16 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1isc h LEU 190 CO 0.11 0.06 -0.53 0.00 -0.34 0.00 0.00 178.44 177.73 1isc h ALA 191 N 1.95 0.67 0.00 1.25 0.00 -1.40 -3.52 119.26 118.20 1isc h ALA 191 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1isc h ALA 191 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1isc h ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25