#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihr s TRP 8 N 0.00 3.23 0.82 4.31 0.52 -1.26 -5.01 118.94 121.55 3ihr s TRP 8 Ca 0.00 -0.68 -0.11 0.00 0.02 0.00 0.00 56.10 55.33 3ihr s TRP 8 Cb 0.00 -2.50 0.08 0.00 -1.15 0.00 0.00 33.47 29.91 3ihr s TRP 8 CO 0.00 -0.57 1.09 0.00 0.02 0.00 0.00 176.95 177.49 3ihr n LEU 10 N -3.55 0.00 -4.10 0.00 4.77 -1.26 -4.80 117.00 108.06 3ihr n LEU 10 Ca 0.07 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.78 3ihr n LEU 10 Cb 0.55 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.48 3ihr n LEU 10 CO 0.56 -0.86 -0.50 -0.70 -1.33 0.00 0.00 177.39 174.55 3ihr s GLU 12 N -1.31 2.12 -0.74 3.23 2.12 -1.26 -4.45 118.70 118.41 3ihr s GLU 12 Ca 0.00 -0.58 -0.26 0.00 0.36 0.00 0.00 54.97 54.48 3ihr s GLU 12 Cb 0.00 -1.70 0.04 0.00 0.26 0.00 0.00 34.13 32.73 3ihr s GLU 12 CO 0.00 0.10 1.24 -1.12 -0.54 0.00 0.00 175.26 174.95 3ihr s SER 13 N 0.48 6.17 -0.06 -1.70 0.01 -1.26 -4.85 113.70 112.49 3ihr s SER 13 Ca -0.14 -0.54 -0.03 0.00 1.31 0.00 0.00 55.95 56.55 3ihr s SER 13 Cb -0.16 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.56 3ihr s SER 13 CO 0.05 -1.78 0.14 -0.62 0.41 0.00 0.00 173.24 171.44 3ihr s ASP 14 N 3.76 -0.11 0.57 2.44 2.15 -1.26 -5.03 116.67 119.19 3ihr s ASP 14 Ca 0.34 0.29 0.27 0.00 0.43 0.00 0.00 52.55 53.88 3ihr s ASP 14 Cb -0.09 0.19 1.54 0.00 -0.30 0.00 0.00 42.92 44.26 3ihr s ASP 14 CO 0.14 -0.13 2.03 -0.65 -0.17 0.00 0.00 175.17 176.38 3ihr h PRO 15 N 7.04 0.00 0.01 4.34 0.11 -1.93 0.28 132.00 141.85 3ihr h PRO 15 Ca -0.40 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 3ihr h PRO 15 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ihr h PRO 15 CO 0.43 0.00 -0.01 0.78 -0.21 0.00 0.00 178.00 178.99 3ihr h GLY 16 N 0.00 -0.02 0.32 -0.55 0.00 -1.96 -1.85 103.07 99.01 3ihr h GLY 16 Ca 0.15 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.52 3ihr h GLY 16 CO -0.00 -0.01 -0.30 -2.08 0.00 0.00 0.00 176.54 174.15 3ihr h VAL 17 N -0.85 0.34 -0.04 4.60 2.07 -1.51 -0.75 116.25 120.11 3ihr h VAL 17 Ca -0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 3ihr h VAL 17 Cb 0.78 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3ihr h VAL 17 CO 0.00 0.00 -0.12 -0.26 0.02 0.00 0.00 177.57 177.21 3ihr h PHE 18 N -0.43 -0.30 -0.67 1.57 0.04 -0.63 0.37 116.94 116.88 3ihr h PHE 18 Ca 0.07 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.91 3ihr h PHE 18 Cb 0.53 0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.78 3ihr h PHE 18 CO -0.34 -0.18 0.44 1.15 -0.60 0.00 0.00 178.31 178.79 3ihr h THR 19 N -0.19 1.02 0.13 -1.55 2.02 -1.08 -1.23 112.91 112.03 3ihr h THR 19 Ca 0.06 -0.24 -0.30 0.00 0.77 0.00 0.00 66.41 66.70 3ihr h THR 19 Cb 0.26 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3ihr h THR 19 CO -0.15 0.13 -1.47 -0.33 0.37 0.00 0.00 175.52 174.07 3ihr h GLU 20 N 0.69 0.27 -0.53 6.66 4.39 -0.68 -3.15 114.58 122.24 3ihr h GLU 20 Ca 0.29 -0.47 0.08 0.00 0.34 0.00 0.00 59.36 59.60 3ihr h GLU 20 Cb 0.25 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 29.01 3ihr h GLU 20 CO -0.09 1.16 0.16 1.25 -1.16 0.00 0.00 179.01 180.33 3ihr h LEU 21 N 0.07 0.12 0.06 1.33 5.85 0.42 0.35 115.31 123.51 3ihr h LEU 21 Ca -0.22 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.59 3ihr h LEU 21 Cb 2.02 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 43.10 3ihr h LEU 21 CO 0.18 0.09 -0.16 0.40 -0.34 0.00 0.00 178.44 178.61 3ihr h ILE 22 N 0.32 0.63 -0.61 4.05 2.04 -1.33 -1.60 117.51 121.00 3ihr h ILE 22 Ca 0.26 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.19 3ihr h ILE 22 Cb 0.33 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3ihr h ILE 22 CO -0.30 0.00 0.41 0.11 0.00 0.00 0.00 178.15 178.37 3ihr h LYS 23 N -0.29 0.57 -0.19 2.37 1.57 -1.40 -2.01 116.57 117.18 3ihr h LYS 23 Ca 0.03 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3ihr h LYS 23 Cb 0.33 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 3ihr h LYS 23 CO -0.11 0.38 -0.15 0.78 -0.57 0.00 0.00 179.45 179.77 3ihr h GLY 24 N 0.58 -0.02 0.84 3.86 0.00 0.62 -2.13 103.07 106.82 3ihr h GLY 24 Ca 0.27 0.18 0.12 0.00 0.00 0.00 0.00 47.33 47.90 3ihr h GLY 24 CO -0.08 -0.15 0.48 0.74 0.00 0.00 0.00 176.54 177.52 3ihr h PHE 25 N -0.16 0.56 0.00 5.60 0.05 -0.71 -3.45 116.94 118.84 3ihr h PHE 25 Ca 0.11 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.92 3ihr h PHE 25 Cb 0.33 -0.18 0.00 0.00 2.00 0.00 0.00 35.95 38.10 3ihr h PHE 25 CO -0.29 0.24 0.00 0.41 -0.18 0.00 0.00 178.31 178.49 3ihr n GLY 26 N -1.50 0.69 3.63 -1.45 0.00 -0.80 -4.33 105.19 101.43 3ihr n GLY 26 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3ihr n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihr s ARG 28 N 2.64 2.94 0.00 0.00 0.52 -0.42 -3.94 118.95 120.70 3ihr s ARG 28 Ca 0.29 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 3ihr s ARG 28 Cb -0.15 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.55 3ihr s ARG 28 CO 0.08 0.58 0.00 0.41 0.02 0.00 0.00 175.30 176.39 3ihr n GLY 29 N 0.54 0.47 3.12 -3.53 0.00 -1.26 -1.31 105.19 103.21 3ihr n GLY 29 Ca -0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 3ihr n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihr s ALA 30 N -2.00 0.87 0.05 4.61 0.00 -1.26 -0.17 121.76 123.86 3ihr s ALA 30 Ca 0.00 -0.89 -0.06 0.00 0.00 0.00 0.00 51.96 51.01 3ihr s ALA 30 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3ihr s ALA 30 CO 0.00 0.07 0.12 1.14 0.00 0.00 0.00 175.76 177.09 3ihr s GLN 31 N -1.67 0.66 -0.19 0.00 -2.07 -0.60 -4.78 119.66 111.00 3ihr s GLN 31 Ca -0.06 -0.82 -0.10 0.00 -1.82 0.00 0.00 55.36 52.56 3ihr s GLN 31 Cb -0.10 0.26 -0.05 0.00 -1.09 0.00 0.00 33.01 32.03 3ihr s GLN 31 CO 0.01 -0.18 0.15 0.08 -1.32 0.00 0.00 175.29 174.03 3ihr s VAL 32 N -2.97 5.40 -0.02 3.63 1.01 -1.26 -1.42 120.40 124.77 3ihr s VAL 32 Ca -0.02 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.24 3ihr s VAL 32 Cb 0.01 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 3ihr s VAL 32 CO -0.06 0.44 -0.18 -1.61 0.00 0.00 0.00 175.10 173.69 3ihr s GLU 33 N 0.31 1.54 0.32 2.72 0.41 -0.47 -4.74 118.70 118.79 3ihr s GLU 33 Ca 0.09 -0.63 -0.28 0.00 -0.41 0.00 0.00 54.97 53.74 3ihr s GLU 33 Cb -0.11 -1.44 -0.09 0.00 -1.78 0.00 0.00 34.13 30.70 3ihr s GLU 33 CO -0.01 0.35 1.09 -2.00 -0.49 0.00 0.00 175.26 174.20 3ihr s GLU 34 N -0.31 4.46 -0.19 1.61 2.12 -1.26 -0.83 118.70 124.30 3ihr s GLU 34 Ca 0.04 1.73 0.01 0.00 0.36 0.00 0.00 54.97 57.11 3ihr s GLU 34 Cb -0.08 -2.97 0.02 0.00 0.26 0.00 0.00 34.13 31.36 3ihr s GLU 34 CO 0.00 0.06 -0.18 0.42 -0.54 0.00 0.00 175.26 175.02 3ihr s ILE 35 N -1.32 2.19 -0.08 -3.70 -1.09 0.87 -4.88 121.20 113.20 3ihr s ILE 35 Ca 0.49 -0.92 0.11 0.00 -2.23 0.00 0.00 60.65 58.11 3ihr s ILE 35 Cb -0.29 -1.94 0.17 0.00 -1.58 0.00 0.00 42.46 38.82 3ihr s ILE 35 CO 0.37 0.51 1.08 0.79 -1.23 0.00 0.00 174.94 176.47 3ihr n TRP 36 N 4.63 0.00 -3.69 3.97 7.02 -1.26 -4.31 117.44 123.81 3ihr n TRP 36 Ca -0.21 -0.77 -0.14 0.00 -1.02 0.00 0.00 57.50 55.37 3ihr n TRP 36 Cb 0.50 -0.11 -0.09 0.00 -2.42 0.00 0.00 31.31 29.20 3ihr n TRP 36 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3ihr s SER 37 N -2.08 -0.55 0.00 -0.99 0.15 -1.26 -5.02 113.70 103.95 3ihr s SER 37 Ca 0.19 1.04 0.19 0.00 0.70 0.00 0.00 55.95 58.06 3ihr s SER 37 Cb 0.16 1.05 0.28 0.00 -1.71 0.00 0.00 66.02 65.80 3ihr s SER 37 CO 0.02 -0.21 1.22 0.18 1.20 0.00 0.00 173.24 175.64 3ihr n LEU 38 N 2.66 2.93 -4.77 3.45 4.77 -1.26 -4.89 117.00 119.89 3ihr n LEU 38 Ca -0.14 -1.33 -0.41 0.00 -0.03 0.00 0.00 56.01 54.09 3ihr n LEU 38 Cb 0.56 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 3ihr n LEU 38 CO 0.10 0.60 1.18 -1.61 -1.33 0.00 0.00 177.39 176.33 3ihr s GLU 39 N -1.40 4.11 0.53 3.23 2.02 -1.26 -4.89 118.70 121.04 3ihr s GLU 39 Ca 0.28 2.58 0.21 0.00 0.02 0.00 0.00 54.97 58.06 3ihr s GLU 39 Cb 0.18 -2.99 1.41 0.00 0.10 0.00 0.00 34.13 32.83 3ihr s GLU 39 CO 0.25 -0.58 2.14 -1.35 0.02 0.00 0.00 175.26 175.74 3ihr h PRO 40 N 3.75 0.00 -0.41 0.39 0.11 -1.98 -0.67 132.00 133.19 3ihr h PRO 40 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3ihr h PRO 40 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3ihr h PRO 40 CO 0.70 0.05 0.12 0.93 -0.21 0.00 0.00 178.00 179.60 3ihr h GLU 41 N 0.00 0.64 -0.46 1.05 3.07 -2.00 0.11 114.58 116.99 3ihr h GLU 41 Ca -0.00 -0.14 0.02 0.00 -0.50 0.00 0.00 59.36 58.74 3ihr h GLU 41 Cb 0.10 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 3ihr h GLU 41 CO 0.01 0.63 0.31 -0.97 -1.40 0.00 0.00 179.01 177.59 3ihr h ASN 42 N 0.51 0.46 1.01 1.42 -1.24 -1.50 -3.11 115.58 113.14 3ihr h ASN 42 Ca 0.13 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.13 3ihr h ASN 42 Cb 0.27 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.21 3ihr h ASN 42 CO -0.00 0.32 -0.92 -0.26 -1.29 0.00 0.00 177.43 175.28 3ihr h PHE 43 N 0.54 0.00 -0.08 0.67 0.04 -1.00 -3.26 116.94 113.85 3ihr h PHE 43 Ca 0.18 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.98 3ihr h PHE 43 Cb 0.06 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 3ihr h PHE 43 CO -0.00 0.00 -0.08 0.93 -0.60 0.00 0.00 178.31 178.56 3ihr h GLU 44 N 0.00 -0.09 -0.18 1.51 5.08 -0.74 -0.85 114.58 119.32 3ihr h GLU 44 Ca 0.00 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3ihr h GLU 44 Cb 0.97 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 3ihr h GLU 44 CO 0.00 -0.06 0.25 0.87 -1.00 0.00 0.00 179.01 179.07 3ihr h LYS 45 N -0.09 0.00 0.00 2.33 1.57 -1.60 -2.82 116.57 115.95 3ihr h LYS 45 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3ihr h LYS 45 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3ihr h LYS 45 CO -0.14 0.00 -1.79 1.28 -0.57 0.00 0.00 179.45 178.23 3ihr n LEU 46 N -3.57 0.07 -4.70 2.94 4.77 -0.65 -4.97 117.00 110.90 3ihr n LEU 46 Ca 0.02 -0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.55 3ihr n LEU 46 Cb 0.36 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.47 3ihr n LEU 46 CO 0.24 0.02 0.87 0.29 -1.33 0.00 0.00 177.39 177.48 3ihr n LYS 47 N -2.10 1.89 -2.97 3.23 4.76 -0.42 -3.92 118.16 118.63 3ihr n LYS 47 Ca -0.03 0.67 -0.40 0.00 -2.87 0.00 0.00 58.31 55.68 3ihr n LYS 47 Cb 0.48 -2.37 -0.05 0.00 -1.84 0.00 0.00 35.03 31.25 3ihr n LYS 47 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3ihr s PRO 48 N -2.23 4.50 -0.05 1.97 0.04 -1.26 -4.91 135.00 133.07 3ihr s PRO 48 Ca 0.61 1.08 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 3ihr s PRO 48 Cb -0.51 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 30.62 3ihr s PRO 48 CO 0.58 0.27 0.33 0.08 0.04 0.00 0.00 177.00 178.30 3ihr s VAL 49 N -0.02 5.18 -0.29 -0.36 1.01 -1.25 -2.75 120.40 121.92 3ihr s VAL 49 Ca 0.39 0.65 0.16 0.00 0.00 0.00 0.00 61.98 63.18 3ihr s VAL 49 Cb -0.21 -3.63 -0.22 0.00 0.00 0.00 0.00 36.38 32.33 3ihr s VAL 49 CO 0.23 0.56 0.47 1.41 0.00 0.00 0.00 175.10 177.77 3ihr n HIS 50 N 2.13 0.00 0.00 5.22 8.25 0.82 -5.01 115.22 126.64 3ihr n HIS 50 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3ihr n HIS 50 Cb 0.53 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.41 3ihr n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ihr n GLY 51 N 1.51 1.51 3.67 -1.41 0.00 -1.22 -4.68 105.19 104.56 3ihr n GLY 51 Ca -0.01 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 3ihr n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ihr s LEU 52 N 0.00 3.25 -0.06 0.99 1.43 -0.66 -0.40 118.68 123.23 3ihr s LEU 52 Ca 0.00 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.46 3ihr s LEU 52 Cb 0.00 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.48 3ihr s LEU 52 CO 0.00 -0.03 0.03 -0.63 0.23 0.00 0.00 176.35 175.95 3ihr s ILE 53 N -2.32 0.15 -0.24 -0.59 1.01 -1.26 -2.09 121.20 115.85 3ihr s ILE 53 Ca 0.32 0.24 -0.08 0.00 0.00 0.00 0.00 60.65 61.13 3ihr s ILE 53 Cb -0.06 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 42.00 3ihr s ILE 53 CO 0.21 0.20 0.10 0.12 0.00 0.00 0.00 174.94 175.56 3ihr s PHE 54 N 2.06 3.14 0.42 3.97 5.36 0.10 -4.29 117.98 128.74 3ihr s PHE 54 Ca 0.05 -0.21 0.07 0.00 -0.96 0.00 0.00 56.93 55.87 3ihr s PHE 54 Cb -0.12 -2.24 -0.07 0.00 -0.34 0.00 0.00 43.02 40.24 3ihr s PHE 54 CO -0.04 -0.22 0.02 -0.48 -1.46 0.00 0.00 175.22 173.03 3ihr s LEU 55 N 1.43 2.85 0.00 6.12 2.34 -0.52 -0.24 118.68 130.66 3ihr s LEU 55 Ca 0.06 -1.37 0.00 0.00 0.06 0.00 0.00 54.13 52.87 3ihr s LEU 55 Cb -0.15 -0.92 0.00 0.00 -0.56 0.00 0.00 46.19 44.57 3ihr s LEU 55 CO 0.05 -0.48 0.00 2.22 -1.06 0.00 0.00 176.35 177.08 3ihr n PHE 56 N -1.00 0.00 -3.38 3.48 1.16 -0.96 -2.03 117.46 114.73 3ihr n PHE 56 Ca -0.06 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.11 3ihr n PHE 56 Cb 0.67 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.45 3ihr n PHE 56 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3ihr s LYS 57 N -1.52 3.42 0.33 3.97 1.02 -1.17 -0.06 119.74 125.73 3ihr s LYS 57 Ca 0.00 -0.52 -0.28 0.00 0.02 0.00 0.00 55.97 55.19 3ihr s LYS 57 Cb 0.00 -3.85 -0.10 0.00 -0.52 0.00 0.00 37.83 33.36 3ihr s LYS 57 CO 0.00 -0.62 1.18 -0.46 -0.92 0.00 0.00 175.35 174.52 3ihr s TRP 58 N 2.05 3.29 0.04 3.18 -0.11 -1.06 -4.91 118.94 121.42 3ihr s TRP 58 Ca 0.12 1.58 -0.18 0.00 1.22 0.00 0.00 56.10 58.84 3ihr s TRP 58 Cb -0.17 -3.43 0.04 0.00 -1.50 0.00 0.00 33.47 28.41 3ihr s TRP 58 CO 0.12 -1.13 0.41 -0.65 -4.62 0.00 0.00 176.95 171.09 3ihr s GLN 59 N -1.78 0.92 0.51 5.86 -0.21 -1.26 -5.02 119.66 118.67 3ihr s GLN 59 Ca 0.49 -0.36 -0.20 0.00 0.02 0.00 0.00 55.36 55.30 3ihr s GLN 59 Cb -0.34 0.41 -0.09 0.00 1.00 0.00 0.00 33.01 33.99 3ihr s GLN 59 CO 0.44 -0.32 0.71 -2.30 -2.12 0.00 0.00 175.29 171.70 3ihr n PRO 60 N 0.50 0.77 0.00 2.91 -0.02 -1.26 -4.93 135.00 132.97 3ihr n PRO 60 Ca -0.18 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3ihr n PRO 60 Cb 0.60 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 3ihr n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ihr n GLY 61 N 1.57 3.12 0.68 -1.23 0.00 -1.26 -5.13 105.19 102.94 3ihr n GLY 61 Ca 0.11 -0.70 0.04 0.00 0.00 0.00 0.00 46.02 45.47 3ihr n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ihr n GLU 62 N 0.00 0.45 0.10 1.61 1.02 -1.26 -4.93 120.64 117.62 3ihr n GLU 62 Ca 0.00 -1.85 0.06 0.00 -0.02 0.00 0.00 57.16 55.35 3ihr n GLU 62 Cb 0.00 -0.71 -0.00 0.00 -0.02 0.00 0.00 31.44 30.71 3ihr n GLU 62 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3ihr h GLU 63 N 0.38 0.00 -6.50 3.49 5.08 -2.03 -3.48 114.58 111.51 3ihr h GLU 63 Ca -0.06 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.87 3ihr h GLU 63 Cb 1.40 0.00 0.23 0.00 0.50 0.00 0.00 28.75 30.88 3ihr h GLU 63 CO 0.03 0.19 -1.28 -2.30 -1.00 0.00 0.00 179.01 174.65 3ihr n PRO 64 N -2.90 -1.46 0.00 2.33 -0.02 -1.26 -4.76 135.00 126.92 3ihr n PRO 64 Ca -0.03 -0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 3ihr n PRO 64 Cb 0.68 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 3ihr n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ihr n ALA 65 N -4.31 0.84 0.00 3.55 0.00 -1.26 -4.99 120.51 114.34 3ihr n ALA 65 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3ihr n ALA 65 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3ihr n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ihr n GLY 66 N 0.00 -0.96 3.50 0.00 0.00 -1.26 -4.97 105.19 101.49 3ihr n GLY 66 Ca 0.00 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 3ihr n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ihr s SER 67 N -4.00 6.17 0.97 1.61 1.04 -1.24 -4.88 113.70 113.37 3ihr s SER 67 Ca 0.00 -0.59 -0.14 0.00 0.48 0.00 0.00 55.95 55.69 3ihr s SER 67 Cb 0.00 -2.20 -0.01 0.00 0.10 0.00 0.00 66.02 63.90 3ihr s SER 67 CO 0.00 -0.48 0.03 0.52 0.98 0.00 0.00 173.24 174.28 3ihr n VAL 68 N 5.33 0.00 -4.29 5.02 0.31 -1.26 -2.29 118.33 121.15 3ihr n VAL 68 Ca -0.09 -0.27 -0.34 0.00 -0.01 0.00 0.00 64.34 63.63 3ihr n VAL 68 Cb 0.48 -0.44 -0.12 0.00 -0.91 0.00 0.00 33.84 32.85 3ihr n VAL 68 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3ihr s VAL 69 N -2.28 4.12 -0.01 2.52 1.01 -0.48 -4.74 120.40 120.53 3ihr s VAL 69 Ca 0.52 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.25 3ihr s VAL 69 Cb -0.19 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.40 3ihr s VAL 69 CO 0.71 0.48 0.83 0.00 0.00 0.00 0.00 175.10 177.12 3ihr n GLN 70 N 3.57 0.47 -0.26 2.72 3.00 -1.26 -4.70 117.38 120.91 3ihr n GLN 70 Ca -0.17 -1.04 -0.20 0.00 -0.01 0.00 0.00 57.00 55.58 3ihr n GLN 70 Cb 0.52 -0.67 0.19 0.00 0.00 0.00 0.00 30.24 30.28 3ihr n GLN 70 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3ihr n ASP 71 N -0.22 -3.06 -2.03 1.08 -0.08 -1.26 -4.93 116.55 106.05 3ihr n ASP 71 Ca 0.02 -0.65 -0.10 0.00 -1.51 0.00 0.00 54.79 52.55 3ihr n ASP 71 Cb 0.57 -0.65 0.27 0.00 2.34 0.00 0.00 41.12 43.65 3ihr n ASP 71 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3ihr n SER 72 N -4.72 4.54 0.11 1.67 3.41 -1.26 -3.92 113.62 113.45 3ihr n SER 72 Ca 0.09 -3.26 0.04 0.00 -0.26 0.00 0.00 58.87 55.49 3ihr n SER 72 Cb 0.39 -0.76 0.01 0.00 -0.26 0.00 0.00 64.21 63.59 3ihr n SER 72 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3ihr h ARG 73 N 2.24 0.00 -1.03 4.33 3.08 -1.97 -3.28 114.38 117.75 3ihr h ARG 73 Ca 0.34 0.00 0.30 0.00 0.07 0.00 0.00 59.98 60.69 3ihr h ARG 73 Cb 2.42 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 32.43 3ihr h ARG 73 CO 0.80 0.30 0.91 -0.07 -1.07 0.00 0.00 179.97 180.85 3ihr h LEU 74 N 0.00 0.00 -0.88 3.04 3.38 -1.89 3.19 115.31 122.15 3ihr h LEU 74 Ca -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3ihr h LEU 74 Cb 1.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 3ihr h LEU 74 CO 0.04 0.00 -0.36 0.44 0.09 0.00 0.00 178.44 178.66 3ihr h ASP 75 N 0.00 0.00 0.00 -0.43 5.19 -1.89 -3.34 116.42 115.95 3ihr h ASP 75 Ca 0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.90 3ihr h ASP 75 Cb 2.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.82 3ihr h ASP 75 CO -0.01 0.36 -0.27 0.74 -3.12 0.00 0.00 179.24 176.94 3ihr h THR 76 N 0.00 0.00 -2.76 0.35 2.02 0.56 -3.47 112.91 109.60 3ihr h THR 76 Ca -0.00 -0.69 -0.59 0.00 0.77 0.00 0.00 66.41 65.90 3ihr h THR 76 Cb 0.92 0.00 0.10 0.00 -1.74 0.00 0.00 68.15 67.42 3ihr h THR 76 CO 0.05 0.00 0.42 -0.38 0.37 0.00 0.00 175.52 175.98 3ihr n ILE 77 N -3.90 1.55 -3.10 3.11 2.08 -0.61 -4.96 119.36 113.53 3ihr n ILE 77 Ca -0.04 -0.39 -0.41 0.00 0.56 0.00 0.00 62.75 62.47 3ihr n ILE 77 Cb 0.14 -1.33 -0.06 0.00 -0.75 0.00 0.00 39.64 37.64 3ihr n ILE 77 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 3ihr s PHE 78 N -0.66 3.24 -0.02 1.39 5.36 -1.26 -4.84 117.98 121.18 3ihr s PHE 78 Ca 0.62 0.68 0.00 0.00 -0.96 0.00 0.00 56.93 57.27 3ihr s PHE 78 Cb -0.66 -2.95 0.03 0.00 -0.34 0.00 0.00 43.02 39.10 3ihr s PHE 78 CO 0.57 -0.43 0.02 0.12 -1.46 0.00 0.00 175.22 174.04 3ihr s PHE 79 N 2.59 0.12 -0.10 10.12 5.36 -1.26 -4.93 117.98 129.89 3ihr s PHE 79 Ca 0.26 0.08 0.02 0.00 -0.96 0.00 0.00 56.93 56.33 3ihr s PHE 79 Cb -0.15 -0.29 0.01 0.00 -0.34 0.00 0.00 43.02 42.25 3ihr s PHE 79 CO 0.11 -0.10 -0.15 0.00 -1.46 0.00 0.00 175.22 173.61 3ihr s ALA 80 N 1.03 1.67 0.71 11.12 0.00 -1.26 -4.29 121.76 130.75 3ihr s ALA 80 Ca -0.09 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 3ihr s ALA 80 Cb -0.13 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.23 3ihr s ALA 80 CO -0.03 -0.02 1.15 0.15 0.00 0.00 0.00 175.76 177.01 3ihr s LYS 81 N 0.89 2.38 -0.22 0.00 1.02 -1.19 -4.58 119.74 118.04 3ihr s LYS 81 Ca -0.09 1.53 -0.24 0.00 0.02 0.00 0.00 55.97 57.19 3ihr s LYS 81 Cb -0.15 -1.89 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 3ihr s LYS 81 CO 0.00 -1.60 0.79 -1.14 -0.92 0.00 0.00 175.35 172.48 3ihr s GLN 82 N -4.12 4.21 -0.07 1.68 2.00 0.17 -4.23 119.66 119.29 3ihr s GLN 82 Ca 0.69 0.89 -0.03 0.00 -2.00 0.00 0.00 55.36 54.91 3ihr s GLN 82 Cb -0.24 -3.62 -0.03 0.00 0.80 0.00 0.00 33.01 29.92 3ihr s GLN 82 CO 0.45 -0.42 -0.09 0.28 -0.50 0.00 0.00 175.29 175.01 3ihr n VAL 83 N 5.04 0.40 -3.65 1.34 0.31 -1.26 -4.92 118.33 115.59 3ihr n VAL 83 Ca 0.04 -0.11 -0.40 0.00 -0.01 0.00 0.00 64.34 63.86 3ihr n VAL 83 Cb 0.48 -1.50 -0.11 0.00 -0.91 0.00 0.00 33.84 31.80 3ihr n VAL 83 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3ihr s ILE 84 N -2.14 4.21 0.29 2.52 -1.09 -1.26 -4.99 121.20 118.74 3ihr s ILE 84 Ca -0.10 -1.14 0.03 0.00 -2.23 0.00 0.00 60.65 57.21 3ihr s ILE 84 Cb 0.04 -3.45 0.28 0.00 -1.58 0.00 0.00 42.46 37.75 3ihr s ILE 84 CO 0.13 -0.32 1.77 -1.13 -1.23 0.00 0.00 174.94 174.16 3ihr h ASN 85 N 8.36 0.66 0.08 3.58 -0.73 -1.97 -1.39 115.58 124.17 3ihr h ASN 85 Ca -0.24 0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.03 3ihr h ASN 85 Cb 1.09 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.67 3ihr h ASN 85 CO 0.68 0.24 0.00 0.59 -0.37 0.00 0.00 177.43 178.57 3ihr n ASN 86 N -4.82 0.00 -1.02 1.15 4.13 -1.26 -2.35 115.26 111.08 3ihr n ASN 86 Ca 0.21 -0.71 0.11 0.00 1.68 0.00 0.00 54.58 55.86 3ihr n ASN 86 Cb 0.53 -0.05 0.18 0.00 -1.54 0.00 0.00 39.78 38.90 3ihr n ASN 86 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ihr n ALA 87 N -1.05 2.41 -0.15 5.41 0.00 -0.52 -4.69 120.51 121.91 3ihr n ALA 87 Ca 0.19 -0.95 -0.06 0.00 0.00 0.00 0.00 53.44 52.62 3ihr n ALA 87 Cb 0.11 -0.77 0.01 0.00 0.00 0.00 0.00 19.45 18.80 3ihr n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ihr h ALA 89 N 1.00 -0.16 -0.91 0.00 0.00 -1.86 0.26 119.26 117.60 3ihr h ALA 89 Ca 0.21 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3ihr h ALA 89 Cb 0.51 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 3ihr h ALA 89 CO -0.57 -0.64 0.60 1.15 0.00 0.00 0.00 179.25 179.79 3ihr h THR 90 N -0.24 1.12 -0.29 0.00 2.02 -1.53 -1.35 112.91 112.65 3ihr h THR 90 Ca 0.06 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.79 3ihr h THR 90 Cb 0.32 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3ihr h THR 90 CO -0.17 0.20 -0.11 -0.61 0.37 0.00 0.00 175.52 175.21 3ihr h GLN 91 N 1.11 0.58 -0.79 6.66 4.15 -0.37 -0.20 115.11 126.26 3ihr h GLN 91 Ca 0.37 -0.24 0.13 0.00 0.77 0.00 0.00 58.65 59.69 3ihr h GLN 91 Cb 0.08 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 27.66 3ihr h GLN 91 CO -0.12 0.80 0.37 0.00 -1.93 0.00 0.00 178.83 177.95 3ihr h ALA 92 N 0.76 1.14 -0.03 3.38 0.00 -0.29 0.21 119.26 124.44 3ihr h ALA 92 Ca 0.07 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3ihr h ALA 92 Cb 0.61 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3ihr h ALA 92 CO 0.04 -0.12 -0.05 0.82 0.00 0.00 0.00 179.25 179.93 3ihr h ILE 93 N 0.55 1.44 -0.78 0.00 2.04 -0.99 -2.27 117.51 117.50 3ihr h ILE 93 Ca 0.42 -1.37 0.10 0.00 1.00 0.00 0.00 64.86 65.01 3ihr h ILE 93 Cb 0.59 2.30 -0.08 0.00 -0.74 0.00 0.00 36.82 38.89 3ihr h ILE 93 CO -0.36 0.37 0.42 0.58 0.00 0.00 0.00 178.15 179.16 3ihr h VAL 94 N -0.46 0.85 -0.72 1.67 2.07 -0.76 -0.48 116.25 118.43 3ihr h VAL 94 Ca 0.00 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3ihr h VAL 94 Cb 0.62 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3ihr h VAL 94 CO 0.01 0.13 0.46 0.28 0.02 0.00 0.00 177.57 178.46 3ihr h SER 95 N 0.69 0.75 -0.34 0.57 0.02 -0.82 0.56 113.55 114.97 3ihr h SER 95 Ca 0.39 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.26 3ihr h SER 95 Cb 0.41 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3ihr h SER 95 CO -0.28 0.52 -0.07 0.58 -1.14 0.00 0.00 176.83 176.44 3ihr h VAL 96 N 0.90 1.28 -0.44 2.27 2.07 -0.66 -2.54 116.25 119.12 3ihr h VAL 96 Ca 0.29 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 3ihr h VAL 96 Cb 0.00 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3ihr h VAL 96 CO -0.10 0.37 -0.01 -0.07 0.02 0.00 0.00 177.57 177.77 3ihr h LEU 97 N 0.44 0.78 -0.31 2.57 3.38 -0.79 -2.97 115.31 118.41 3ihr h LEU 97 Ca 0.09 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3ihr h LEU 97 Cb 0.57 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ihr h LEU 97 CO 0.03 0.91 0.00 0.18 0.09 0.00 0.00 178.44 179.65 3ihr n LEU 98 N -4.37 0.37 -0.94 1.67 4.32 0.19 -1.44 117.00 116.79 3ihr n LEU 98 Ca -0.00 0.58 0.11 0.00 -0.02 0.00 0.00 56.01 56.68 3ihr n LEU 98 Cb 0.31 -0.52 0.12 0.00 -1.62 0.00 0.00 43.42 41.71 3ihr n LEU 98 CO 0.42 -0.36 0.62 0.59 -1.22 0.00 0.00 177.39 177.44 3ihr n ASN 99 N -1.89 2.99 -4.73 -1.43 3.02 -0.96 -4.82 115.26 107.43 3ihr n ASN 99 Ca 0.03 -1.94 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 3ihr n ASN 99 Cb 0.23 -0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.30 3ihr n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ihr n THR 101 N 2.78 1.26 -3.27 0.00 -2.24 -1.26 -5.06 114.28 106.49 3ihr n THR 101 Ca 0.02 -1.78 -0.33 0.00 -2.27 0.00 0.00 64.05 59.69 3ihr n THR 101 Cb 0.49 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.76 3ihr n THR 101 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3ihr s HIS 102 N -1.90 3.46 0.31 4.78 2.46 -1.26 -4.98 115.29 118.16 3ihr s HIS 102 Ca 0.26 1.08 0.15 0.00 0.47 0.00 0.00 55.06 57.03 3ihr s HIS 102 Cb 0.25 -2.42 0.73 0.00 -0.13 0.00 0.00 32.58 31.01 3ihr s HIS 102 CO -0.03 0.23 1.79 -0.56 -2.47 0.00 0.00 174.74 173.71 3ihr h GLN 103 N 2.68 0.00 0.00 2.88 3.07 -2.04 -3.05 115.11 118.65 3ihr h GLN 103 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.25 3ihr h GLN 103 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.74 3ihr h GLN 103 CO 0.67 0.39 -0.07 -0.44 0.09 0.00 0.00 178.83 179.47 3ihr h ASP 104 N 0.00 0.00 -3.35 0.06 3.45 -1.93 -3.43 116.42 111.22 3ihr h ASP 104 Ca -0.00 0.00 -0.64 0.00 0.43 0.00 0.00 57.03 56.82 3ihr h ASP 104 Cb 0.75 0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 39.31 3ihr h ASP 104 CO 0.05 0.07 -0.64 -0.69 -1.57 0.00 0.00 179.24 176.45 3ihr s VAL 105 N -3.87 4.09 -0.24 -1.35 1.01 -1.15 -4.33 120.40 114.55 3ihr s VAL 105 Ca -0.01 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3ihr s VAL 105 Cb 0.11 -2.82 0.05 0.00 0.00 0.00 0.00 36.38 33.72 3ihr s VAL 105 CO 0.55 0.46 -0.13 -1.00 0.00 0.00 0.00 175.10 174.98 3ihr s HIS 106 N 0.58 3.10 0.26 5.22 3.76 -0.43 -4.85 115.29 122.93 3ihr s HIS 106 Ca -0.01 -2.12 -0.05 0.00 -0.15 0.00 0.00 55.06 52.74 3ihr s HIS 106 Cb -0.14 -1.91 0.31 0.00 1.11 0.00 0.00 32.58 31.95 3ihr s HIS 106 CO 0.02 -0.86 1.89 -0.07 -0.85 0.00 0.00 174.74 174.88 3ihr h LEU 107 N 7.82 1.03 -0.06 0.89 3.38 -1.86 -1.10 115.31 125.42 3ihr h LEU 107 Ca -0.26 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.69 3ihr h LEU 107 Cb 1.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3ihr h LEU 107 CO 0.51 0.82 -0.11 0.61 0.09 0.00 0.00 178.44 180.35 3ihr n GLY 108 N -1.19 -1.60 0.40 0.83 0.00 -1.25 -3.49 105.19 98.89 3ihr n GLY 108 Ca 0.09 -1.46 -0.16 0.00 0.00 0.00 0.00 46.02 44.49 3ihr n GLY 108 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ihr h GLU 109 N -0.24 -0.94 -1.01 1.61 5.08 -1.86 -0.96 114.58 116.26 3ihr h GLU 109 Ca -0.00 0.06 0.22 0.00 -1.00 0.00 0.00 59.36 58.64 3ihr h GLU 109 Cb 0.23 0.21 -0.11 0.00 0.50 0.00 0.00 28.75 29.59 3ihr h GLU 109 CO 0.00 -0.61 0.61 1.15 -1.00 0.00 0.00 179.01 179.16 3ihr h THR 110 N -1.22 0.61 0.15 1.13 2.02 -1.84 0.25 112.91 114.01 3ihr h THR 110 Ca -0.10 -0.22 -0.25 0.00 0.77 0.00 0.00 66.41 66.61 3ihr h THR 110 Cb 0.76 -0.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3ihr h THR 110 CO 0.16 0.12 -1.17 -0.07 0.37 0.00 0.00 175.52 174.93 3ihr h LEU 111 N 0.64 0.49 -0.86 2.58 3.38 -1.74 -3.04 115.31 116.77 3ihr h LEU 111 Ca 0.61 -0.91 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 3ihr h LEU 111 Cb 1.11 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 3ihr h LEU 111 CO -0.41 1.54 0.46 0.28 0.09 0.00 0.00 178.44 180.39 3ihr h SER 112 N -0.26 1.08 0.57 -0.43 0.02 -0.34 0.28 113.55 114.47 3ihr h SER 112 Ca -0.23 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 3ihr h SER 112 Cb 1.77 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 64.04 3ihr h SER 112 CO 0.13 0.88 -0.27 -0.33 -1.14 0.00 0.00 176.83 176.10 3ihr h GLU 113 N 1.20 -0.74 -1.00 3.45 5.08 -0.67 -2.39 114.58 119.51 3ihr h GLU 113 Ca 0.30 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.84 3ihr h GLU 113 Cb 0.05 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.38 3ihr h GLU 113 CO -0.05 -0.43 0.63 0.35 -1.00 0.00 0.00 179.01 178.51 3ihr h PHE 114 N -0.98 1.13 0.09 4.33 3.57 -1.48 -0.42 116.94 123.17 3ihr h PHE 114 Ca -0.08 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.47 3ihr h PHE 114 Cb 0.65 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 3ihr h PHE 114 CO -0.00 0.42 -0.18 -0.22 -2.23 0.00 0.00 178.31 176.10 3ihr h LYS 115 N 0.96 -0.33 -0.35 1.11 3.64 -0.77 -1.80 116.57 119.03 3ihr h LYS 115 Ca 0.51 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.81 3ihr h LYS 115 Cb 0.55 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3ihr h LYS 115 CO -0.28 -0.22 -0.19 1.49 -2.27 0.00 0.00 179.45 177.99 3ihr h GLU 116 N -0.34 0.74 -0.94 1.90 4.81 -0.94 -1.68 114.58 118.13 3ihr h GLU 116 Ca 0.03 -0.33 0.26 0.00 -0.13 0.00 0.00 59.36 59.19 3ihr h GLU 116 Cb 0.36 -0.02 -0.17 0.00 0.63 0.00 0.00 28.75 29.56 3ihr h GLU 116 CO -0.11 0.94 0.09 0.35 -0.73 0.00 0.00 179.01 179.55 3ihr h PHE 117 N 0.52 0.07 -0.01 0.92 3.04 -1.03 -3.09 116.94 117.36 3ihr h PHE 117 Ca 0.07 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.09 3ihr h PHE 117 Cb 0.73 0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.36 3ihr h PHE 117 CO 0.06 -0.37 -0.74 -1.13 -2.02 0.00 0.00 178.31 174.11 3ihr n SER 118 N -5.41 1.39 -0.37 0.41 3.41 -0.68 -4.68 113.62 107.68 3ihr n SER 118 Ca 0.22 -1.19 0.33 0.00 -0.26 0.00 0.00 58.87 57.97 3ihr n SER 118 Cb 0.74 0.78 0.67 0.00 -0.26 0.00 0.00 64.21 66.13 3ihr n SER 118 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3ihr h GLN 119 N 1.01 0.13 0.00 4.33 3.07 -1.22 -1.07 115.11 121.35 3ihr h GLN 119 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 3ihr h GLN 119 Cb 0.58 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.11 3ihr h GLN 119 CO 0.00 0.09 -1.18 0.43 0.09 0.00 0.00 178.83 178.26 3ihr n SER 120 N -4.37 0.87 -4.50 0.06 7.64 -1.26 -4.96 113.62 107.09 3ihr n SER 120 Ca 0.29 -0.57 -0.35 0.00 1.01 0.00 0.00 58.87 59.24 3ihr n SER 120 Cb 1.22 1.30 0.08 0.00 -1.01 0.00 0.00 64.21 65.80 3ihr n SER 120 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3ihr n PHE 121 N -1.67 -0.45 -1.63 1.43 3.01 -0.41 -5.01 117.46 112.73 3ihr n PHE 121 Ca 0.01 0.35 -0.21 0.00 1.01 0.00 0.00 57.45 58.61 3ihr n PHE 121 Cb 0.34 -1.95 0.14 0.00 -0.01 0.00 0.00 39.48 38.01 3ihr n PHE 121 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3ihr n ASP 122 N -0.88 0.03 0.20 4.37 5.68 -1.26 -4.71 116.55 119.98 3ihr n ASP 122 Ca 0.10 -1.33 -0.15 0.00 -0.50 0.00 0.00 54.79 52.92 3ihr n ASP 122 Cb 0.50 -0.71 -0.07 0.00 -1.14 0.00 0.00 41.12 39.70 3ihr n ASP 122 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ihr h ALA 123 N -1.87 -0.62 0.00 2.12 0.00 -1.90 0.11 119.26 117.10 3ihr h ALA 123 Ca -0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ihr h ALA 123 Cb 0.83 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3ihr h ALA 123 CO 0.21 -0.88 0.00 0.00 0.00 0.00 0.00 179.25 178.59 3ihr n ALA 124 N -2.55 0.55 0.00 0.00 0.00 -1.26 -0.21 120.51 117.04 3ihr n ALA 124 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3ihr n ALA 124 Cb 0.31 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3ihr n ALA 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ihr n LYS 126 N 0.02 0.00 -0.02 0.00 5.02 0.38 -1.78 118.16 121.78 3ihr n LYS 126 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 3ihr n LYS 126 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 3ihr n LYS 126 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3ihr h GLY 127 N 0.00 -0.05 1.76 0.72 0.00 -0.77 -1.12 103.07 103.62 3ihr h GLY 127 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.42 3ihr h GLY 127 CO 0.00 -0.16 -0.41 -2.00 0.00 0.00 0.00 176.54 173.97 3ihr h LEU 128 N -0.17 0.28 -0.80 3.11 5.85 -1.57 -2.28 115.31 119.72 3ihr h LEU 128 Ca 0.11 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 3ihr h LEU 128 Cb 0.34 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3ihr h LEU 128 CO -0.28 0.67 -0.54 0.00 -0.34 0.00 0.00 178.44 177.94 3ihr h ALA 129 N 1.35 0.99 0.22 1.25 0.00 -1.72 -2.41 119.26 118.94 3ihr h ALA 129 Ca 0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3ihr h ALA 129 Cb 0.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ihr h ALA 129 CO 0.06 0.69 -0.11 1.25 0.00 0.00 0.00 179.25 181.15 3ihr h LEU 130 N 0.12 -0.25 -2.44 0.00 5.85 -0.85 -3.02 115.31 114.71 3ihr h LEU 130 Ca -0.00 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3ihr h LEU 130 Cb 1.00 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 3ihr h LEU 130 CO 0.08 -0.02 0.12 0.77 -0.34 0.00 0.00 178.44 179.05 3ihr h SER 131 N -0.48 0.00 -0.51 1.25 4.64 -1.20 0.11 113.55 117.35 3ihr h SER 131 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3ihr h SER 131 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3ihr h SER 131 CO 0.05 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.60 3ihr n ASN 132 N -3.56 3.11 -4.54 4.97 5.03 -0.93 -4.85 115.26 114.49 3ihr n ASN 132 Ca -0.01 -1.97 -0.42 0.00 0.87 0.00 0.00 54.58 53.05 3ihr n ASN 132 Cb 0.21 -0.34 -0.03 0.00 -1.02 0.00 0.00 39.78 38.60 3ihr n ASN 132 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3ihr s SER 133 N -1.16 6.24 0.16 6.41 0.15 0.38 -4.88 113.70 121.00 3ihr s SER 133 Ca 0.39 -0.42 -0.15 0.00 0.70 0.00 0.00 55.95 56.46 3ihr s SER 133 Cb 0.21 -2.52 0.03 0.00 -1.71 0.00 0.00 66.02 62.03 3ihr s SER 133 CO 0.28 -1.62 1.81 0.44 1.20 0.00 0.00 173.24 175.35 3ihr h ASP 134 N 9.76 0.53 0.23 5.45 3.32 -1.88 0.41 116.42 134.23 3ihr h ASP 134 Ca -0.27 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 3ihr h ASP 134 Cb 1.06 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 3ihr h ASP 134 CO 1.22 0.40 -0.19 0.58 -1.72 0.00 0.00 179.24 179.53 3ihr h VAL 135 N 0.60 0.58 -0.07 -1.35 2.07 -1.98 0.31 116.25 116.41 3ihr h VAL 135 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 3ihr h VAL 135 Cb -0.04 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3ihr h VAL 135 CO -0.03 0.00 0.02 0.40 0.02 0.00 0.00 177.57 177.98 3ihr h ILE 136 N -0.44 1.17 -0.84 4.57 2.04 -1.88 -1.96 117.51 120.17 3ihr h ILE 136 Ca -0.01 -0.51 0.19 0.00 1.00 0.00 0.00 64.86 65.54 3ihr h ILE 136 Cb 0.40 1.38 -0.12 0.00 -0.74 0.00 0.00 36.82 37.74 3ihr h ILE 136 CO -0.03 0.14 0.32 -0.09 0.00 0.00 0.00 178.15 178.50 3ihr h ARG 137 N -0.08 0.36 0.30 2.37 2.43 -0.11 -1.26 114.38 118.39 3ihr h ARG 137 Ca 0.02 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ihr h ARG 137 Cb 0.21 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3ihr h ARG 137 CO -0.00 0.24 -0.44 0.37 -1.51 0.00 0.00 179.97 178.63 3ihr h GLN 138 N 0.37 -0.75 0.21 0.20 4.15 0.33 0.70 115.11 120.32 3ihr h GLN 138 Ca 0.50 0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.99 3ihr h GLN 138 Cb 0.91 0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.74 3ihr h GLN 138 CO -0.52 -0.50 -0.36 0.28 -1.93 0.00 0.00 178.83 175.80 3ihr h VAL 139 N -0.78 0.25 -0.65 2.39 2.07 -0.85 -1.62 116.25 117.06 3ihr h VAL 139 Ca -0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.60 3ihr h VAL 139 Cb 0.71 0.25 -0.12 0.00 -1.52 0.00 0.00 31.29 30.61 3ihr h VAL 139 CO -0.13 0.00 -0.35 -0.74 0.02 0.00 0.00 177.57 176.37 3ihr h HIS 140 N -0.65 -0.98 -0.92 1.57 -0.00 -1.16 -1.39 115.15 111.61 3ihr h HIS 140 Ca 0.01 0.08 0.08 0.00 -0.00 0.00 0.00 60.37 60.53 3ihr h HIS 140 Cb 0.64 0.53 -0.07 0.00 -0.00 0.00 0.00 27.41 28.51 3ihr h HIS 140 CO -0.28 -0.39 0.57 -0.91 -0.00 0.00 0.00 177.93 176.93 3ihr h ASN 141 N -0.14 0.89 0.00 3.26 2.35 -0.46 -1.08 115.58 120.40 3ihr h ASN 141 Ca 0.25 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3ihr h ASN 141 Cb 0.56 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3ihr h ASN 141 CO -0.73 0.54 0.00 -1.54 -1.65 0.00 0.00 177.43 174.05 3ihr n SER 142 N -4.60 0.19 -0.02 5.81 3.41 -0.53 -0.61 113.62 117.27 3ihr n SER 142 Ca 0.15 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 3ihr n SER 142 Cb 0.22 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3ihr n SER 142 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ihr n PHE 143 N -0.21 0.00 -1.81 7.33 3.72 -0.42 -5.07 117.46 121.00 3ihr n PHE 143 Ca 0.00 -0.12 -0.32 0.00 -0.05 0.00 0.00 57.45 56.97 3ihr n PHE 143 Cb 0.05 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.60 3ihr n PHE 143 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ihr s ALA 144 N -0.24 2.80 0.00 4.37 0.00 0.22 -4.77 121.76 124.14 3ihr s ALA 144 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.10 3ihr s ALA 144 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 3ihr s ALA 144 CO 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 175.76 174.81 3ihr n ALA 162 N -2.66 0.00 -2.55 0.00 0.00 -1.26 -4.60 120.51 109.44 3ihr n ALA 162 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 3ihr n ALA 162 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 3ihr n ALA 162 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ihr s PHE 163 N -0.41 3.71 -0.06 0.00 0.08 -1.25 -2.56 117.98 117.48 3ihr s PHE 163 Ca 0.00 0.93 -0.03 0.00 0.12 0.00 0.00 56.93 57.95 3ihr s PHE 163 Cb 0.00 -2.25 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 3ihr s PHE 163 CO 0.00 0.65 0.07 -1.58 -0.10 0.00 0.00 175.22 174.26 3ihr s HIS 164 N -1.05 3.32 -0.11 0.36 5.65 0.92 -4.86 115.29 119.52 3ihr s HIS 164 Ca 0.23 0.29 -0.01 0.00 0.25 0.00 0.00 55.06 55.82 3ihr s HIS 164 Cb -0.16 -1.81 -0.02 0.00 -1.18 0.00 0.00 32.58 29.41 3ihr s HIS 164 CO 0.12 0.57 -0.09 -0.06 -0.65 0.00 0.00 174.74 174.63 3ihr s PHE 165 N -1.04 2.89 0.03 3.88 0.08 -1.26 -2.26 117.98 120.29 3ihr s PHE 165 Ca 0.17 -0.33 0.06 0.00 0.12 0.00 0.00 56.93 56.96 3ihr s PHE 165 Cb -0.12 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 3ihr s PHE 165 CO 0.07 0.01 -0.19 0.08 -0.10 0.00 0.00 175.22 175.10 3ihr s VAL 166 N -0.04 1.50 0.07 -0.44 1.01 0.66 -4.58 120.40 118.58 3ihr s VAL 166 Ca -0.01 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.01 3ihr s VAL 166 Cb -0.14 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3ihr s VAL 166 CO 0.03 0.23 -0.21 -0.94 0.00 0.00 0.00 175.10 174.22 3ihr s SER 167 N -0.94 2.47 -0.08 3.32 1.04 -0.85 0.02 113.70 118.68 3ihr s SER 167 Ca 0.06 -0.59 0.05 0.00 0.48 0.00 0.00 55.95 55.95 3ihr s SER 167 Cb -0.08 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 3ihr s SER 167 CO 0.01 0.11 -0.25 -0.31 0.98 0.00 0.00 173.24 173.78 3ihr s TYR 168 N -0.97 2.50 0.02 5.02 2.02 -0.89 0.84 117.35 125.89 3ihr s TYR 168 Ca 0.07 -0.89 -0.07 0.00 -0.37 0.00 0.00 57.07 55.81 3ihr s TYR 168 Cb -0.09 -1.66 -0.00 0.00 -0.40 0.00 0.00 41.96 39.81 3ihr s TYR 168 CO 0.03 -0.32 0.13 0.14 -1.57 0.00 0.00 175.55 173.96 3ihr s VAL 169 N 0.09 0.10 -0.34 0.71 -7.23 -0.85 -1.65 120.40 111.23 3ihr s VAL 169 Ca -0.11 -0.84 -0.15 0.00 -1.81 0.00 0.00 61.98 59.07 3ihr s VAL 169 Cb -0.16 -0.65 -0.01 0.00 0.56 0.00 0.00 36.38 36.12 3ihr s VAL 169 CO 0.06 -0.47 0.33 -2.16 -0.31 0.00 0.00 175.10 172.56 3ihr s PRO 170 N -1.94 3.55 -0.14 4.82 0.05 -1.26 -0.91 135.00 139.17 3ihr s PRO 170 Ca -0.10 -0.47 -0.01 0.00 0.05 0.00 0.00 61.00 60.47 3ihr s PRO 170 Cb -0.05 -3.80 -0.02 0.00 0.05 0.00 0.00 34.50 30.68 3ihr s PRO 170 CO -0.01 -0.50 -0.11 0.08 0.05 0.00 0.00 177.00 176.51 3ihr s VAL 171 N 1.94 3.24 -0.98 -0.36 1.01 -0.34 -4.84 120.40 120.08 3ihr s VAL 171 Ca 0.10 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 3ihr s VAL 171 Cb -0.17 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.84 3ihr s VAL 171 CO 0.11 0.51 0.67 0.59 0.00 0.00 0.00 175.10 176.99 3ihr n ASN 172 N 3.58 -5.06 0.00 3.32 3.02 -1.26 -1.93 115.26 116.94 3ihr n ASN 172 Ca -0.18 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 3ihr n ASN 172 Cb 0.53 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 37.35 3ihr n ASN 172 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ihr n GLY 173 N -1.79 0.45 3.40 7.41 0.00 -1.26 -4.95 105.19 108.43 3ihr n GLY 173 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 3ihr n GLY 173 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ihr s ARG 174 N -0.57 1.44 -0.25 1.61 0.52 -0.81 -0.37 118.95 120.51 3ihr s ARG 174 Ca 0.00 -1.45 -0.08 0.00 -0.52 0.00 0.00 55.73 53.69 3ihr s ARG 174 Cb 0.00 -1.77 -0.03 0.00 0.52 0.00 0.00 34.95 33.67 3ihr s ARG 174 CO 0.00 0.39 0.09 -1.17 0.02 0.00 0.00 175.30 174.63 3ihr s LEU 175 N -2.47 3.53 -0.06 2.53 2.96 -0.00 -1.20 118.68 123.97 3ihr s LEU 175 Ca 0.18 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3ihr s LEU 175 Cb -0.08 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 3ihr s LEU 175 CO 0.08 -0.03 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.68 3ihr s TYR 176 N 1.58 2.85 0.20 5.38 1.51 -0.09 0.14 117.35 128.92 3ihr s TYR 176 Ca 0.06 -0.06 -0.21 0.00 -1.01 0.00 0.00 57.07 55.84 3ihr s TYR 176 Cb -0.15 -1.69 -0.08 0.00 -0.11 0.00 0.00 41.96 39.93 3ihr s TYR 176 CO 0.05 0.26 0.73 -2.00 -1.11 0.00 0.00 175.55 173.48 3ihr s GLU 177 N -0.73 4.34 -0.28 -0.62 2.12 -0.42 -2.01 118.70 121.11 3ihr s GLU 177 Ca 0.11 0.95 0.01 0.00 0.36 0.00 0.00 54.97 56.40 3ihr s GLU 177 Cb -0.11 -3.02 0.08 0.00 0.26 0.00 0.00 34.13 31.34 3ihr s GLU 177 CO 0.01 0.46 0.00 -0.51 -0.54 0.00 0.00 175.26 174.69 3ihr s LEU 178 N -1.67 3.03 -0.20 2.70 1.43 0.25 -2.09 118.68 122.13 3ihr s LEU 178 Ca 0.40 -1.51 -0.01 0.00 -1.03 0.00 0.00 54.13 51.97 3ihr s LEU 178 Cb -0.19 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.82 3ihr s LEU 178 CO 0.22 -0.31 -0.12 -0.62 0.23 0.00 0.00 176.35 175.75 3ihr s ASP 179 N 1.32 3.73 0.27 2.29 3.68 -1.26 -2.00 116.67 124.70 3ihr s ASP 179 Ca 0.02 -0.56 0.24 0.00 2.13 0.00 0.00 52.55 54.38 3ihr s ASP 179 Cb -0.19 -1.61 0.98 0.00 -1.45 0.00 0.00 42.92 40.66 3ihr s ASP 179 CO -0.11 -0.02 1.73 0.61 0.13 0.00 0.00 175.17 177.52 3ihr n GLY 180 N 4.70 -1.34 1.35 2.66 0.00 -1.26 -2.00 105.19 109.30 3ihr n GLY 180 Ca -0.19 0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.99 3ihr n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ihr n LEU 181 N -2.29 3.97 0.00 0.99 4.77 -1.26 0.43 117.00 123.61 3ihr n LEU 181 Ca 0.02 -2.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 3ihr n LEU 181 Cb 0.25 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3ihr n LEU 181 CO 0.21 0.68 0.00 0.54 -1.33 0.00 0.00 177.39 177.49 3ihr n ARG 182 N 0.89 2.32 -0.03 3.23 1.74 -0.85 -5.04 116.66 118.93 3ihr n ARG 182 Ca 0.21 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.34 3ihr n ARG 182 Cb 0.75 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 32.04 3ihr n ARG 182 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3ihr n GLU 183 N -0.08 0.71 -3.22 5.56 -0.58 -1.26 -4.83 120.64 116.94 3ihr n GLU 183 Ca 0.00 -0.13 -0.01 0.00 -0.42 0.00 0.00 57.16 56.60 3ihr n GLU 183 Cb 0.00 -1.47 0.01 0.00 -0.57 0.00 0.00 31.44 29.42 3ihr n GLU 183 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ihr n GLY 184 N 1.52 0.68 3.65 0.62 0.00 -1.26 -4.89 105.19 105.51 3ihr n GLY 184 Ca -0.11 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 3ihr n GLY 184 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ihr s PRO 185 N -2.03 4.01 -0.25 1.61 0.02 -1.26 -4.65 135.00 132.46 3ihr s PRO 185 Ca 0.18 2.43 -0.29 0.00 0.02 0.00 0.00 61.00 63.34 3ihr s PRO 185 Cb -0.02 -4.15 -0.00 0.00 0.02 0.00 0.00 34.50 30.35 3ihr s PRO 185 CO 0.03 -1.09 1.23 0.42 -0.33 0.00 0.00 177.00 177.26 3ihr s ILE 186 N 4.87 4.30 0.11 2.83 1.01 -0.89 -1.38 121.20 132.05 3ihr s ILE 186 Ca 0.87 1.53 -0.31 0.00 0.00 0.00 0.00 60.65 62.73 3ihr s ILE 186 Cb -0.39 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 37.85 3ihr s ILE 186 CO 0.38 -0.32 1.43 -0.62 0.00 0.00 0.00 174.94 175.81 3ihr s ASP 187 N 2.17 6.79 -0.08 3.58 -1.08 -0.97 -1.31 116.67 125.77 3ihr s ASP 187 Ca 0.53 2.35 0.12 0.00 -0.52 0.00 0.00 52.55 55.02 3ihr s ASP 187 Cb -0.18 -2.58 0.30 0.00 -1.46 0.00 0.00 42.92 39.00 3ihr s ASP 187 CO 0.17 -0.69 1.23 0.18 0.52 0.00 0.00 175.17 176.57 3ihr n LEU 188 N 4.20 2.89 0.00 -1.34 4.77 0.12 -3.70 117.00 123.94 3ihr n LEU 188 Ca 0.12 -2.53 0.00 0.00 -0.03 0.00 0.00 56.01 53.57 3ihr n LEU 188 Cb 0.42 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3ihr n LEU 188 CO 0.59 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 3ihr n GLY 189 N -0.42 -1.45 3.94 -0.72 0.00 -1.24 -4.82 105.19 100.47 3ihr n GLY 189 Ca 0.13 -2.22 -0.25 0.00 0.00 0.00 0.00 46.02 43.68 3ihr n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihr s ALA 190 N -1.23 3.41 -0.09 4.61 0.00 -1.26 -0.82 121.76 126.38 3ihr s ALA 190 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 3ihr s ALA 190 Cb 0.00 -2.45 0.10 0.00 0.00 0.00 0.00 23.12 20.78 3ihr s ALA 190 CO 0.00 -0.98 0.87 0.00 0.00 0.00 0.00 175.76 175.64 3ihr s ASN 192 N -1.42 6.41 0.30 0.00 2.47 -1.25 -4.42 114.94 117.05 3ihr s ASN 192 Ca -0.03 1.34 0.07 0.00 0.42 0.00 0.00 52.86 54.65 3ihr s ASN 192 Cb -0.00 -2.54 0.82 0.00 -1.45 0.00 0.00 41.25 38.08 3ihr s ASN 192 CO 0.02 -1.28 1.70 1.56 -3.72 0.00 0.00 177.10 175.38 3ihr h GLN 193 N 10.49 0.41 -0.57 0.43 1.08 -1.98 0.17 115.11 125.15 3ihr h GLN 193 Ca -0.30 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.87 3ihr h GLN 193 Cb 1.13 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 3ihr h GLN 193 CO 1.03 0.27 0.00 -0.25 -0.95 0.00 0.00 178.83 178.93 3ihr n ASP 194 N -5.01 3.09 -3.00 1.46 8.00 -1.26 -4.51 116.55 115.31 3ihr n ASP 194 Ca 0.25 -1.99 -0.01 0.00 0.71 0.00 0.00 54.79 53.75 3ihr n ASP 194 Cb 0.72 -0.38 -0.00 0.00 -0.02 0.00 0.00 41.12 41.45 3ihr n ASP 194 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ihr s ASP 195 N -1.03 -1.34 -0.01 -2.24 3.68 0.55 -5.00 116.67 111.28 3ihr s ASP 195 Ca 0.39 -1.00 0.10 0.00 2.13 0.00 0.00 52.55 54.16 3ihr s ASP 195 Cb 0.20 1.73 -0.13 0.00 -1.45 0.00 0.00 42.92 43.27 3ihr s ASP 195 CO 0.27 -0.11 0.32 -2.67 0.13 0.00 0.00 175.17 173.10 3ihr n TRP 196 N 3.80 0.00 -0.22 -5.34 4.27 -1.02 -3.75 117.44 115.18 3ihr n TRP 196 Ca 0.13 0.00 0.18 0.00 -3.89 0.00 0.00 57.50 53.92 3ihr n TRP 196 Cb 0.58 -0.11 0.51 0.00 -1.36 0.00 0.00 31.31 30.93 3ihr n TRP 196 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 3ihr h ILE 197 N 0.00 0.71 -0.96 -1.67 1.08 -1.96 0.62 117.51 115.33 3ihr h ILE 197 Ca 0.00 -0.14 0.09 0.00 -0.39 0.00 0.00 64.86 64.41 3ihr h ILE 197 Cb 0.33 0.27 -0.07 0.00 -3.07 0.00 0.00 36.82 34.28 3ihr h ILE 197 CO 0.00 0.07 0.60 0.77 -0.69 0.00 0.00 178.15 178.91 3ihr h SER 198 N 0.41 0.93 -0.55 1.72 4.64 -1.93 -0.52 113.55 118.26 3ihr h SER 198 Ca 0.44 0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.69 3ihr h SER 198 Cb 1.08 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 3ihr h SER 198 CO -0.16 0.56 -0.04 0.00 -0.87 0.00 0.00 176.83 176.32 3ihr h ALA 199 N 1.47 0.74 0.00 5.18 0.00 -0.08 -3.29 119.26 123.29 3ihr h ALA 199 Ca 0.44 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ihr h ALA 199 Cb 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ihr h ALA 199 CO -0.21 0.60 -0.72 1.55 0.00 0.00 0.00 179.25 180.47 3ihr n VAL 200 N -4.22 0.16 -0.21 0.00 3.14 -0.88 -4.20 118.33 112.12 3ihr n VAL 200 Ca 0.02 -0.16 -0.07 0.00 -2.96 0.00 0.00 64.34 61.17 3ihr n VAL 200 Cb 0.36 0.15 0.03 0.00 -1.06 0.00 0.00 33.84 33.32 3ihr n VAL 200 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3ihr h ARG 201 N 0.00 0.82 0.14 1.45 2.43 -1.18 -2.26 114.38 115.78 3ihr h ARG 201 Ca 0.00 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3ihr h ARG 201 Cb 0.65 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 3ihr h ARG 201 CO 0.00 0.60 -0.22 -1.35 -1.51 0.00 0.00 179.97 177.49 3ihr h PRO 202 N 0.80 -0.41 -0.05 0.20 0.11 -1.76 -0.50 132.00 130.39 3ihr h PRO 202 Ca 0.21 0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.39 3ihr h PRO 202 Cb 0.00 0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.15 3ihr h PRO 202 CO -0.04 -0.27 -0.35 0.28 -0.21 0.00 0.00 178.00 177.41 3ihr h VAL 203 N -0.43 0.25 -0.70 3.15 2.07 -1.76 -2.43 116.25 116.41 3ihr h VAL 203 Ca 0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 3ihr h VAL 203 Cb 0.43 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3ihr h VAL 203 CO -0.10 0.00 0.20 0.40 0.02 0.00 0.00 177.57 178.09 3ihr h ILE 204 N -0.48 1.26 -0.69 4.57 2.04 -1.30 -2.08 117.51 120.84 3ihr h ILE 204 Ca 0.07 -0.91 0.06 0.00 1.00 0.00 0.00 64.86 65.08 3ihr h ILE 204 Cb 0.58 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3ihr h ILE 204 CO -0.32 0.35 0.46 -0.33 0.00 0.00 0.00 178.15 178.31 3ihr h GLU 205 N 1.03 0.70 -0.38 2.37 5.08 -0.92 0.14 114.58 122.59 3ihr h GLU 205 Ca 0.22 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 3ihr h GLU 205 Cb 0.32 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3ihr h GLU 205 CO -0.00 0.46 -0.36 0.87 -1.00 0.00 0.00 179.01 178.97 3ihr h LYS 206 N 0.72 0.90 0.30 2.33 1.79 -0.89 0.34 116.57 122.06 3ihr h LYS 206 Ca 0.30 -0.46 -0.01 0.00 -2.18 0.00 0.00 60.65 58.29 3ihr h LYS 206 Cb 0.25 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 3ihr h LYS 206 CO -0.09 1.11 -0.14 0.00 -1.08 0.00 0.00 179.45 179.24 3ihr h ARG 207 N 0.74 -0.38 -0.31 3.15 3.08 -1.05 -2.76 114.38 116.85 3ihr h ARG 207 Ca 0.07 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.20 3ihr h ARG 207 Cb 0.95 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.03 3ihr h ARG 207 CO 0.09 -0.08 -0.05 0.82 -1.07 0.00 0.00 179.97 179.68 3ihr h ILE 208 N -0.70 0.72 -0.89 2.04 2.04 -0.65 0.29 117.51 120.36 3ihr h ILE 208 Ca -0.04 -0.01 0.21 0.00 1.00 0.00 0.00 64.86 66.02 3ihr h ILE 208 Cb 0.48 0.68 -0.12 0.00 -0.74 0.00 0.00 36.82 37.12 3ihr h ILE 208 CO 0.07 0.01 0.39 -0.61 0.00 0.00 0.00 178.15 178.01 3ihr h GLN 209 N 0.03 0.41 -0.65 2.37 5.75 -0.36 0.16 115.11 122.83 3ihr h GLN 209 Ca 0.15 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3ihr h GLN 209 Cb 0.22 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 3ihr h GLN 209 CO -0.30 0.27 0.42 -0.22 -2.65 0.00 0.00 178.83 176.35 3ihr h LYS 210 N 0.42 0.82 0.00 1.69 3.64 -0.12 -2.85 116.57 120.17 3ihr h LYS 210 Ca 0.54 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 3ihr h LYS 210 Cb 1.00 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3ihr h LYS 210 CO -0.51 0.54 -0.09 1.88 -2.27 0.00 0.00 179.45 179.01 3ihr h TYR 211 N 0.84 0.00 -0.57 1.91 0.05 -0.45 -3.05 116.97 115.71 3ihr h TYR 211 Ca 0.24 0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.26 3ihr h TYR 211 Cb -0.06 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 37.58 3ihr h TYR 211 CO -0.04 0.00 0.31 0.45 -1.05 0.00 0.00 178.16 177.83 3ihr n SER 212 N -4.31 0.19 0.22 3.88 2.88 0.37 0.69 113.62 117.54 3ihr n SER 212 Ca -0.01 0.91 -0.13 0.00 -1.33 0.00 0.00 58.87 58.30 3ihr n SER 212 Cb 0.05 -0.44 -0.07 0.00 -0.75 0.00 0.00 64.21 62.99 3ihr n SER 212 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3ihr h GLU 213 N 0.00 -0.57 -0.85 -1.46 5.08 -1.60 0.12 114.58 115.30 3ihr h GLU 213 Ca 0.47 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 59.09 3ihr h GLU 213 Cb 1.26 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.60 3ihr h GLU 213 CO -0.42 -0.26 0.59 0.78 -1.00 0.00 0.00 179.01 178.70 3ihr h GLY 214 N -0.95 0.39 -3.22 -3.84 0.00 1.26 -3.45 103.07 93.26 3ihr h GLY 214 Ca -0.06 -0.08 -0.24 0.00 0.00 0.00 0.00 47.33 46.95 3ihr h GLY 214 CO 0.10 -0.00 -0.38 -2.21 0.00 0.00 0.00 176.54 174.05 3ihr n GLU 215 N -4.39 -3.59 -3.67 4.80 2.13 3.29 -5.01 120.64 114.20 3ihr n GLU 215 Ca 0.18 0.52 -0.36 0.00 0.66 0.00 0.00 57.16 58.16 3ihr n GLU 215 Cb 0.79 -4.58 -0.07 0.00 0.27 0.00 0.00 31.44 27.85 3ihr n GLU 215 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3ihr s ILE 216 N -3.02 5.37 -0.25 6.31 1.01 -1.22 -4.91 121.20 124.49 3ihr s ILE 216 Ca 0.24 0.36 -0.43 0.00 0.00 0.00 0.00 60.65 60.83 3ihr s ILE 216 Cb -0.11 -3.53 -0.19 0.00 0.01 0.00 0.00 42.46 38.64 3ihr s ILE 216 CO 0.30 0.46 1.41 0.54 0.00 0.00 0.00 174.94 177.66 3ihr n ARG 217 N 3.17 0.25 -3.99 2.79 5.12 -1.26 -4.70 116.66 118.03 3ihr n ARG 217 Ca -0.15 0.09 -0.08 0.00 -1.93 0.00 0.00 57.85 55.78 3ihr n ARG 217 Cb 0.52 -1.62 -0.09 0.00 -1.16 0.00 0.00 32.46 30.11 3ihr n ARG 217 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 3ihr s PHE 218 N 1.82 0.35 0.01 -1.55 -0.12 -1.26 -3.03 117.98 114.19 3ihr s PHE 218 Ca 0.98 -0.79 -0.09 0.00 -0.05 0.00 0.00 56.93 56.97 3ihr s PHE 218 Cb -1.32 -0.24 0.00 0.00 -0.63 0.00 0.00 43.02 40.83 3ihr s PHE 218 CO 0.68 -0.40 0.18 -0.80 -0.05 0.00 0.00 175.22 174.83 3ihr s ASN 219 N -2.62 -0.00 0.36 1.98 -0.87 -0.86 -4.97 114.94 107.95 3ihr s ASN 219 Ca 0.02 -0.21 0.04 0.00 -1.57 0.00 0.00 52.86 51.15 3ihr s ASN 219 Cb 0.04 0.24 -0.06 0.00 -0.02 0.00 0.00 41.25 41.45 3ihr s ASN 219 CO -0.08 -0.43 0.05 -0.22 -2.57 0.00 0.00 177.10 173.85 3ihr s LEU 220 N -1.56 2.33 -0.20 0.60 2.96 -1.26 -1.43 118.68 120.12 3ihr s LEU 220 Ca -0.12 -1.41 -0.27 0.00 -0.22 0.00 0.00 54.13 52.11 3ihr s LEU 220 Cb -0.06 -0.50 0.07 0.00 0.50 0.00 0.00 46.19 46.20 3ihr s LEU 220 CO 0.01 -0.61 0.70 0.00 -1.32 0.00 0.00 176.35 175.13 3ihr s ALA 222 N -3.13 -1.76 -0.35 5.97 0.00 -0.01 -0.09 121.76 122.39 3ihr s ALA 222 Ca 0.34 1.80 -0.09 0.00 0.00 0.00 0.00 51.96 54.01 3ihr s ALA 222 Cb 0.08 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.40 3ihr s ALA 222 CO 0.15 -0.35 0.16 0.42 0.00 0.00 0.00 175.76 176.15 3ihr s ILE 223 N -0.09 4.38 0.39 0.00 1.01 0.46 -1.37 121.20 125.99 3ihr s ILE 223 Ca -0.03 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.87 3ihr s ILE 223 Cb -0.04 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.98 3ihr s ILE 223 CO 0.04 -0.13 0.03 0.68 0.00 0.00 0.00 174.94 175.56 3ihr s VAL 224 N 1.53 1.55 0.38 2.92 -7.23 -0.51 -0.13 120.40 118.93 3ihr s VAL 224 Ca 0.02 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.93 3ihr s VAL 224 Cb -0.19 -2.80 -0.09 0.00 0.56 0.00 0.00 36.38 33.87 3ihr s VAL 224 CO 0.05 0.00 1.23 -0.44 -0.31 0.00 0.00 175.10 175.63 3ihr s SER 225 N -3.65 6.54 -0.20 4.85 0.01 -1.11 -1.56 113.70 118.57 3ihr s SER 225 Ca 0.31 2.49 -0.41 0.00 1.31 0.00 0.00 55.95 59.65 3ihr s SER 225 Cb 0.08 -2.63 -0.17 0.00 0.21 0.00 0.00 66.02 63.51 3ihr s SER 225 CO 0.15 -0.68 1.52 -0.67 0.41 0.00 0.00 173.24 173.98 3ihr n ASP 226 N 0.27 1.61 0.01 2.44 2.03 0.76 -4.69 116.55 118.99 3ihr n ASP 226 Ca 0.03 1.12 -0.09 0.00 0.52 0.00 0.00 54.79 56.37 3ihr n ASP 226 Cb 0.45 -1.06 -0.07 0.00 -0.72 0.00 0.00 41.12 39.71 3ihr n ASP 226 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3ihr h ARG 227 N 5.50 -0.14 -0.91 -0.67 2.47 -1.91 -3.13 114.38 115.60 3ihr h ARG 227 Ca -0.47 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3ihr h ARG 227 Cb 1.35 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.70 3ihr h ARG 227 CO 0.88 0.31 0.00 1.17 0.56 0.00 0.00 179.97 182.89 3ihr n LYS 228 N -4.84 0.00 0.00 0.04 4.81 -1.26 -1.75 118.16 115.16 3ihr n LYS 228 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 3ihr n LYS 228 Cb 0.25 -0.82 0.00 0.00 0.02 0.00 0.00 35.03 34.49 3ihr n LYS 228 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3ihr n ILE 230 N 0.52 0.00 -0.02 3.15 5.41 -1.19 -2.04 119.36 125.19 3ihr n ILE 230 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 3ihr n ILE 230 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 3ihr n ILE 230 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 3ihr h TYR 231 N 0.00 0.16 -0.68 1.39 0.05 -1.67 -2.09 116.97 114.14 3ihr h TYR 231 Ca 0.00 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.87 3ihr h TYR 231 Cb 0.00 -0.05 -0.07 0.00 1.01 0.00 0.00 36.73 37.62 3ihr h TYR 231 CO 0.00 0.23 0.31 0.93 -1.05 0.00 0.00 178.16 178.58 3ihr h GLU 232 N 0.06 0.52 -0.61 4.88 5.08 -1.68 0.24 114.58 123.06 3ihr h GLU 232 Ca 0.04 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3ihr h GLU 232 Cb 0.12 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3ihr h GLU 232 CO -0.00 0.34 0.40 0.37 -1.00 0.00 0.00 179.01 179.12 3ihr h GLN 233 N 0.53 0.63 -0.01 2.33 4.15 -1.73 0.17 115.11 121.19 3ihr h GLN 233 Ca 0.34 -0.04 -0.19 0.00 0.77 0.00 0.00 58.65 59.53 3ihr h GLN 233 Cb 0.38 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3ihr h GLN 233 CO -0.29 0.42 -0.84 -0.22 -1.93 0.00 0.00 178.83 175.97 3ihr h LYS 234 N 0.65 0.20 -0.31 1.69 3.64 0.00 -1.58 116.57 120.86 3ihr h LYS 234 Ca 0.25 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3ihr h LYS 234 Cb 0.18 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3ihr h LYS 234 CO -0.07 0.93 -0.19 0.82 -2.27 0.00 0.00 179.45 178.67 3ihr h ILE 235 N 0.11 1.30 0.06 2.00 2.04 -0.05 -0.81 117.51 122.16 3ihr h ILE 235 Ca -0.04 -1.31 0.02 0.00 1.00 0.00 0.00 64.86 64.53 3ihr h ILE 235 Cb 1.45 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.96 3ihr h ILE 235 CO 0.13 0.42 -0.52 0.00 0.00 0.00 0.00 178.15 178.18 3ihr h ALA 236 N 0.75 -0.94 -0.85 1.87 0.00 -0.57 0.18 119.26 119.70 3ihr h ALA 236 Ca 0.06 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.05 3ihr h ALA 236 Cb 0.73 0.90 -0.10 0.00 0.00 0.00 0.00 17.79 19.32 3ihr h ALA 236 CO 0.05 -1.11 0.40 0.93 0.00 0.00 0.00 179.25 179.53 3ihr h GLU 237 N -0.71 0.51 -0.08 0.00 5.08 -1.22 -1.61 114.58 116.56 3ihr h GLU 237 Ca 0.01 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 3ihr h GLU 237 Cb 0.74 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3ihr h GLU 237 CO -0.32 0.34 -0.56 -0.07 -1.00 0.00 0.00 179.01 177.40 3ihr h LEU 238 N 0.53 0.28 -0.73 1.33 3.38 -0.27 -2.59 115.31 117.24 3ihr h LEU 238 Ca 0.49 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 3ihr h LEU 238 Cb 0.77 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3ihr h LEU 238 CO -0.42 0.78 -0.20 1.56 0.09 0.00 0.00 178.44 180.25 3ihr h GLN 239 N 0.19 0.76 -0.94 1.13 4.20 0.27 -1.51 115.11 119.21 3ihr h GLN 239 Ca -0.00 -0.29 0.03 0.00 0.06 0.00 0.00 58.65 58.44 3ihr h GLN 239 Cb 1.05 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.74 3ihr h GLN 239 CO 0.09 0.90 0.62 -0.09 -0.67 0.00 0.00 178.83 179.68 3ihr h ARG 240 N 0.67 1.18 -0.61 1.46 2.43 -1.07 -1.59 114.38 116.85 3ihr h ARG 240 Ca 0.10 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3ihr h ARG 240 Cb 0.70 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3ihr h ARG 240 CO 0.05 0.78 0.22 1.96 -1.51 0.00 0.00 179.97 181.47 3ihr h GLN 241 N 1.22 0.93 -0.25 0.20 4.20 -1.04 -1.61 115.11 118.76 3ihr h GLN 241 Ca 0.36 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.90 3ihr h GLN 241 Cb -0.04 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 3ihr h GLN 241 CO -0.10 0.81 0.13 -0.07 -0.67 0.00 0.00 178.83 178.92 3ihr h LEU 242 N 0.86 0.19 -0.59 1.46 3.38 -0.68 -2.97 115.31 116.97 3ihr h LEU 242 Ca 0.20 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.03 3ihr h LEU 242 Cb 0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3ihr h LEU 242 CO -0.01 0.15 -0.48 0.00 0.09 0.00 0.00 178.44 178.19 3ihr h ALA 243 N 1.12 0.77 -0.29 1.53 0.00 -1.19 -3.30 119.26 117.89 3ihr h ALA 243 Ca 0.10 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 3ihr h ALA 243 Cb 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ihr h ALA 243 CO -0.06 0.67 -0.29 0.93 0.00 0.00 0.00 179.25 180.50 3ihr h GLU 244 N 0.45 0.71 -7.10 0.00 5.08 -1.19 -3.43 114.58 109.09 3ihr h GLU 244 Ca 0.02 -0.37 -0.48 0.00 -1.00 0.00 0.00 59.36 57.53 3ihr h GLU 244 Cb 1.00 0.01 0.05 0.00 0.50 0.00 0.00 28.75 30.31 3ihr h GLU 244 CO 0.09 0.99 0.40 -1.21 -1.00 0.00 0.00 179.01 178.28 3ihr s GLU 245 N -4.35 3.57 0.00 2.33 2.02 -1.13 -5.12 118.70 116.02 3ihr s GLU 245 Ca -0.12 1.40 0.00 0.00 0.02 0.00 0.00 54.97 56.26 3ihr s GLU 245 Cb 0.09 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.26 3ihr s GLU 245 CO 0.83 -0.63 0.00 -2.30 0.02 0.00 0.00 175.26 173.18 3ihr n PRO 246 N -1.28 3.48 0.00 0.39 -0.02 -1.26 -4.95 135.00 131.36 3ihr n PRO 246 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3ihr n PRO 246 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 3ihr n PRO 246 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3ihr n ASP 248 N 0.00 0.00 0.00 2.55 4.64 -1.26 -5.11 116.55 117.37 3ihr n ASP 248 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3ihr n ASP 248 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3ihr n ASP 248 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3ihr n LEU 256 N 0.00 0.00 -0.33 -2.67 4.77 -1.26 -5.27 117.00 112.24 3ihr n LEU 256 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 3ihr n LEU 256 Cb 0.00 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.46 3ihr n LEU 256 CO 0.00 0.00 1.20 -1.28 -1.33 0.00 0.00 177.39 175.98 3ihr h SER 257 N 0.28 0.70 0.04 -1.43 0.87 -2.04 0.48 113.55 112.44 3ihr h SER 257 Ca 0.00 0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.66 3ihr h SER 257 Cb 0.00 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 3ihr h SER 257 CO 0.00 0.25 -0.15 0.00 -0.53 0.00 0.00 176.83 176.40 3ihr h ALA 258 N 1.63 -0.21 -0.03 6.23 0.00 -2.05 0.84 119.26 125.66 3ihr h ALA 258 Ca 0.56 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.35 3ihr h ALA 258 Cb 0.98 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3ihr h ALA 258 CO -0.33 -0.66 -0.47 0.82 0.00 0.00 0.00 179.25 178.61 3ihr h ILE 259 N -0.27 1.34 0.23 0.00 2.04 -1.46 -2.57 117.51 116.81 3ihr h ILE 259 Ca 0.04 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.26 3ihr h ILE 259 Cb 0.32 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 3ihr h ILE 259 CO -0.12 0.47 -0.11 1.56 0.00 0.00 0.00 178.15 179.95 3ihr h GLN 260 N 0.07 -0.30 -0.89 2.37 1.08 0.35 -1.88 115.11 115.90 3ihr h GLN 260 Ca 0.00 0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.34 3ihr h GLN 260 Cb 0.86 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 28.29 3ihr h GLN 260 CO 0.06 -0.07 0.57 1.03 -0.95 0.00 0.00 178.83 179.48 3ihr h SER 261 N -0.49 0.72 -0.37 1.46 0.87 -0.80 0.03 113.55 114.98 3ihr h SER 261 Ca -0.03 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 3ihr h SER 261 Cb 0.37 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 3ihr h SER 261 CO 0.05 0.39 0.19 -0.33 -0.53 0.00 0.00 176.83 176.60 3ihr h GLU 262 N 0.78 0.58 -0.05 2.24 4.39 -1.05 0.10 114.58 121.56 3ihr h GLU 262 Ca 0.43 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 60.04 3ihr h GLU 262 Cb 0.58 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3ihr h GLU 262 CO -0.20 0.46 -0.07 0.28 -1.16 0.00 0.00 179.01 178.32 3ihr h VAL 263 N 0.58 1.40 -0.98 3.13 2.07 -0.23 -2.60 116.25 119.63 3ihr h VAL 263 Ca 0.15 -1.32 0.20 0.00 0.82 0.00 0.00 66.70 66.55 3ihr h VAL 263 Cb 0.08 2.17 -0.09 0.00 -1.52 0.00 0.00 31.29 31.93 3ihr h VAL 263 CO -0.02 0.36 0.62 0.00 0.02 0.00 0.00 177.57 178.55 3ihr h ALA 264 N 0.50 1.91 -0.68 1.67 0.00 -0.94 0.57 119.26 122.29 3ihr h ALA 264 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ihr h ALA 264 Cb 0.62 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3ihr h ALA 264 CO 0.02 -0.26 0.43 -0.22 0.00 0.00 0.00 179.25 179.22 3ihr h LYS 265 N 0.61 0.92 0.00 0.00 3.64 -0.58 -2.53 116.57 118.62 3ihr h LYS 265 Ca 0.55 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.66 3ihr h LYS 265 Cb 1.06 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 3ihr h LYS 265 CO -0.31 0.63 -0.95 -0.91 -2.27 0.00 0.00 179.45 175.65 3ihr h ASN 266 N 0.93 0.00 0.00 4.20 2.35 -0.66 -3.02 115.58 119.38 3ihr h ASN 266 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3ihr h ASN 266 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3ihr h ASN 266 CO -0.05 0.92 0.00 0.00 -1.65 0.00 0.00 177.43 176.65 3ihr n GLN 267 N -3.32 0.06 0.00 0.81 6.02 0.18 -0.83 117.38 120.31 3ihr n GLN 267 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3ihr n GLN 267 Cb 0.91 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.99 3ihr n GLN 267 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3ihr n LEU 269 N 0.63 0.00 -0.03 1.08 4.77 -1.14 -1.46 117.00 120.85 3ihr n LEU 269 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 3ihr n LEU 269 Cb 0.02 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.37 3ihr n LEU 269 CO 0.00 0.00 0.92 0.40 -1.33 0.00 0.00 177.39 177.38 3ihr h ILE 270 N 0.00 1.21 -0.41 -0.08 2.04 -1.29 -1.00 117.51 117.99 3ihr h ILE 270 Ca 0.00 -0.85 -0.14 0.00 1.00 0.00 0.00 64.86 64.88 3ihr h ILE 270 Cb 0.00 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3ihr h ILE 270 CO 0.00 0.29 -0.29 -0.08 0.00 0.00 0.00 178.15 178.07 3ihr h GLU 271 N 0.56 0.88 -0.08 2.37 4.57 -1.51 -1.42 114.58 119.95 3ihr h GLU 271 Ca 0.12 -0.41 0.03 0.00 -1.18 0.00 0.00 59.36 57.92 3ihr h GLU 271 Cb 0.36 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 3ihr h GLU 271 CO 0.01 1.05 -0.08 1.49 -1.18 0.00 0.00 179.01 180.31 3ihr h GLU 272 N 0.75 -0.10 -0.63 1.92 4.81 -1.64 -0.78 114.58 118.91 3ihr h GLU 272 Ca 0.08 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3ihr h GLU 272 Cb 0.85 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 3ihr h GLU 272 CO 0.07 -0.06 0.24 0.93 -0.73 0.00 0.00 179.01 179.46 3ihr h GLU 273 N -0.10 0.93 -0.15 1.92 4.39 -1.14 0.40 114.58 120.83 3ihr h GLU 273 Ca 0.06 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3ihr h GLU 273 Cb 0.19 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3ihr h GLU 273 CO -0.14 0.77 0.06 0.28 -1.16 0.00 0.00 179.01 178.82 3ihr h VAL 274 N 0.91 1.15 -0.20 3.13 2.07 -0.88 -1.54 116.25 120.89 3ihr h VAL 274 Ca 0.21 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 3ihr h VAL 274 Cb 0.20 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3ihr h VAL 274 CO -0.02 0.14 -0.38 1.56 0.02 0.00 0.00 177.57 178.89 3ihr h GLN 275 N 0.09 0.45 -0.42 1.57 4.20 -0.90 -1.67 115.11 118.43 3ihr h GLN 275 Ca 0.05 -0.22 0.08 0.00 0.06 0.00 0.00 58.65 58.63 3ihr h GLN 275 Cb 0.17 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.87 3ihr h GLN 275 CO -0.00 0.77 -0.03 -0.22 -0.67 0.00 0.00 178.83 178.68 3ihr h LYS 276 N 0.38 0.08 -0.04 1.46 3.64 0.06 -1.87 116.57 120.27 3ihr h LYS 276 Ca 0.04 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3ihr h LYS 276 Cb 0.84 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3ihr h LYS 276 CO 0.07 0.05 -0.25 1.25 -2.27 0.00 0.00 179.45 178.30 3ihr h LEU 277 N 0.08 0.29 -1.83 5.20 5.85 -1.13 -2.99 115.31 120.78 3ihr h LEU 277 Ca 0.21 -0.68 0.18 0.00 0.84 0.00 0.00 57.88 58.42 3ihr h LEU 277 Cb 0.31 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3ihr h LEU 277 CO -0.37 0.93 0.62 0.11 -0.34 0.00 0.00 178.44 179.38 3ihr h LYS 278 N -0.32 0.00 0.10 1.25 1.57 -1.11 -1.77 116.57 116.28 3ihr h LYS 278 Ca -0.02 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.55 3ihr h LYS 278 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3ihr h LYS 278 CO 0.05 0.00 -1.03 -0.09 -0.57 0.00 0.00 179.45 177.81 3ihr h ARG 279 N 0.00 0.22 -0.28 3.15 2.43 -1.23 -2.99 114.38 115.67 3ihr h ARG 279 Ca 0.29 -0.37 0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3ihr h ARG 279 Cb 1.52 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 31.13 3ihr h ARG 279 CO -0.00 1.18 -0.39 1.88 -1.51 0.00 0.00 179.97 181.13 3ihr h TYR 280 N -0.46 -1.10 -0.04 2.20 0.05 -1.20 0.74 116.97 117.16 3ihr h TYR 280 Ca -0.22 0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.63 3ihr h TYR 280 Cb 1.60 0.52 -0.00 0.00 1.01 0.00 0.00 36.73 39.86 3ihr h TYR 280 CO 0.17 -0.43 0.12 -0.22 -1.05 0.00 0.00 178.16 176.74 3ihr h LYS 281 N -0.37 0.00 0.00 4.88 3.64 -1.54 0.21 116.57 123.39 3ihr h LYS 281 Ca 0.12 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.26 3ihr h LYS 281 Cb 0.58 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 3ihr h LYS 281 CO -0.48 0.00 -1.39 -0.89 -2.27 0.00 0.00 179.45 174.42 3ihr n ILE 282 N -3.25 1.52 0.32 2.00 5.41 0.35 -4.06 119.36 121.64 3ihr n ILE 282 Ca -0.02 -0.06 0.19 0.00 1.00 0.00 0.00 62.75 63.87 3ihr n ILE 282 Cb 0.19 -2.06 1.05 0.00 -0.71 0.00 0.00 39.64 38.11 3ihr n ILE 282 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3ihr h GLU 283 N -1.00 0.00 -0.99 0.38 5.08 0.66 -0.70 114.58 118.01 3ihr h GLU 283 Ca -0.37 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.02 3ihr h GLU 283 Cb 1.27 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 3ihr h GLU 283 CO -0.22 0.01 0.65 -0.97 -1.00 0.00 0.00 179.01 177.49 3ihr h ASN 284 N 0.00 1.11 0.09 1.42 -0.73 -0.73 -1.68 115.58 115.06 3ihr h ASN 284 Ca -0.00 -0.02 -0.32 0.00 1.87 0.00 0.00 56.30 57.83 3ihr h ASN 284 Cb 0.09 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.39 3ihr h ASN 284 CO 0.00 0.78 -1.72 0.16 -0.37 0.00 0.00 177.43 176.29 3ihr h ILE 285 N 1.30 0.75 0.00 2.57 3.07 -1.41 -2.64 117.51 121.15 3ihr h ILE 285 Ca 0.38 -2.30 0.00 0.00 1.55 0.00 0.00 64.86 64.49 3ihr h ILE 285 Cb -0.07 2.44 0.00 0.00 -0.27 0.00 0.00 36.82 38.92 3ihr h ILE 285 CO -0.10 0.70 0.29 0.03 -1.05 0.00 0.00 178.15 178.02 3ihr h ARG 286 N -0.30 0.00 0.00 0.16 3.08 -1.17 0.37 114.38 116.52 3ihr h ARG 286 Ca -0.39 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.23 3ihr h ARG 286 Cb 1.79 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.77 3ihr h ARG 286 CO -0.01 0.00 -2.35 0.54 -1.07 0.00 0.00 179.97 177.09 3ihr n ARG 287 N -2.51 0.59 -0.22 0.04 1.74 -0.64 -4.38 116.66 111.27 3ihr n ARG 287 Ca -0.02 0.31 -0.04 0.00 -0.77 0.00 0.00 57.85 57.33 3ihr n ARG 287 Cb 0.33 -1.53 0.04 0.00 -1.02 0.00 0.00 32.46 30.27 3ihr n ARG 287 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3ihr n LYS 288 N -4.26 1.27 -2.90 5.56 4.81 -0.73 -3.69 118.16 118.21 3ihr n LYS 288 Ca -0.51 -0.56 -0.12 0.00 -0.87 0.00 0.00 58.31 56.24 3ihr n LYS 288 Cb 0.86 -1.25 0.03 0.00 0.02 0.00 0.00 35.03 34.69 3ihr n LYS 288 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3ihr n HIS 289 N 0.19 -0.72 -3.87 5.64 8.25 0.04 -4.96 115.22 119.80 3ihr n HIS 289 Ca 0.11 -2.93 -0.36 0.00 -0.26 0.00 0.00 57.72 54.28 3ihr n HIS 289 Cb 0.70 0.37 -0.13 0.00 1.12 0.00 0.00 29.99 32.04 3ihr n HIS 289 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3ihr s ASN 290 N -2.13 4.63 -0.08 0.41 3.04 -1.24 -4.90 114.94 114.67 3ihr s ASN 290 Ca 0.30 -0.31 0.18 0.00 0.04 0.00 0.00 52.86 53.07 3ihr s ASN 290 Cb 0.37 -1.81 0.64 0.00 -1.54 0.00 0.00 41.25 38.90 3ihr s ASN 290 CO -0.05 -0.02 1.55 -1.22 -3.04 0.00 0.00 177.10 174.32 3ihr n TYR 291 N 4.80 1.22 -0.18 0.43 4.01 -1.26 -4.47 117.16 121.71 3ihr n TYR 291 Ca -0.17 -0.60 -0.04 0.00 -0.16 0.00 0.00 57.90 56.92 3ihr n TYR 291 Cb 0.51 -0.18 0.06 0.00 -0.31 0.00 0.00 39.34 39.41 3ihr n TYR 291 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3ihr h LEU 292 N 3.65 0.47 -2.04 7.72 5.85 -1.98 -0.27 115.31 128.71 3ihr h LEU 292 Ca 0.00 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.84 3ihr h LEU 292 Cb 1.28 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3ihr h LEU 292 CO 0.16 0.32 0.38 -0.65 -0.34 0.00 0.00 178.44 178.32 3ihr h PRO 293 N 0.59 0.00 0.04 5.25 0.11 -2.04 -1.47 132.00 134.48 3ihr h PRO 293 Ca 0.23 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.34 3ihr h PRO 293 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 3ihr h PRO 293 CO -0.13 0.00 -0.02 0.35 -0.21 0.00 0.00 178.00 177.99 3ihr h PHE 294 N 0.00 -0.05 0.00 0.65 -0.00 -1.43 -1.92 116.94 114.19 3ihr h PHE 294 Ca 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.13 3ihr h PHE 294 Cb 0.93 0.02 0.00 0.00 -0.00 0.00 0.00 35.95 36.89 3ihr h PHE 294 CO 0.00 0.27 0.00 -0.89 -0.00 0.00 0.00 178.31 177.69 3ihr n ILE 295 N -4.77 0.00 0.00 1.41 -0.00 -0.37 -0.52 119.36 115.11 3ihr n ILE 295 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.71 3ihr n ILE 295 Cb 0.16 -0.06 0.00 0.00 -0.00 0.00 0.00 39.64 39.74 3ihr n ILE 295 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 3ihr n GLU 297 N 0.41 0.00 -0.04 0.38 1.02 -0.72 -0.84 120.64 120.85 3ihr n GLU 297 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 3ihr n GLU 297 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 3ihr n GLU 297 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3ihr n LEU 298 N 0.00 1.00 -0.35 -4.62 7.94 0.32 -3.95 117.00 117.35 3ihr n LEU 298 Ca 0.00 0.45 0.04 0.00 -1.11 0.00 0.00 56.01 55.39 3ihr n LEU 298 Cb 0.00 -0.70 0.21 0.00 0.53 0.00 0.00 43.42 43.45 3ihr n LEU 298 CO 0.00 -0.48 1.26 -0.07 -1.11 0.00 0.00 177.39 176.99 3ihr h LEU 299 N -0.55 0.98 -0.36 -1.96 3.38 -1.23 -1.71 115.31 113.86 3ihr h LEU 299 Ca 0.00 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3ihr h LEU 299 Cb 0.29 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 3ihr h LEU 299 CO 0.00 0.62 -0.10 0.50 0.09 0.00 0.00 178.44 179.55 3ihr h LYS 300 N 1.11 -0.02 -1.81 1.13 3.64 -1.79 0.52 116.57 119.35 3ihr h LYS 300 Ca 0.42 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.49 3ihr h LYS 300 Cb 0.21 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.92 3ihr h LYS 300 CO -0.17 -0.01 0.23 0.25 -2.27 0.00 0.00 179.45 177.47 3ihr n THR 301 N -5.29 2.87 -0.81 1.00 -2.24 -0.66 -2.79 114.28 106.36 3ihr n THR 301 Ca 0.01 -1.88 0.00 0.00 -2.27 0.00 0.00 64.05 59.91 3ihr n THR 301 Cb 0.21 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 3ihr n THR 301 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ihr n LEU 302 N 1.00 0.00 0.26 3.22 4.77 0.14 -4.83 117.00 121.56 3ihr n LEU 302 Ca 0.34 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.45 3ihr n LEU 302 Cb 0.61 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 42.39 3ihr n LEU 302 CO 0.27 0.03 0.95 0.00 -1.33 0.00 0.00 177.39 177.31 3ihr h ALA 303 N 0.00 1.14 0.49 -1.18 0.00 -1.28 -3.10 119.26 115.33 3ihr h ALA 303 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3ihr h ALA 303 Cb 0.29 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ihr h ALA 303 CO 0.00 0.15 -0.45 0.93 0.00 0.00 0.00 179.25 179.88 3ihr h GLU 304 N 0.00 -0.89 0.00 0.00 5.08 -1.88 -3.46 114.58 113.43 3ihr h GLU 304 Ca -0.00 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3ihr h GLU 304 Cb 0.45 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3ihr h GLU 304 CO 0.02 -0.59 0.00 0.72 -1.00 0.00 0.00 179.01 178.15 3ihr n HIS 305 N -5.15 0.00 -1.89 4.33 8.25 -1.17 -5.02 115.22 114.57 3ihr n HIS 305 Ca -0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.93 3ihr n HIS 305 Cb 0.42 0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.63 3ihr n HIS 305 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3ihr n GLN 306 N -1.45 3.01 -0.01 -0.41 7.27 -1.25 -4.15 117.38 120.39 3ihr n GLN 306 Ca 0.00 -2.81 -0.02 0.00 0.07 0.00 0.00 57.00 54.24 3ihr n GLN 306 Cb 0.00 -3.23 -0.01 0.00 2.41 0.00 0.00 30.24 29.41 3ihr n GLN 306 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ihr n GLN 307 N 5.78 0.05 -0.21 3.69 10.64 -1.26 -4.57 117.38 131.51 3ihr n GLN 307 Ca 0.49 0.02 -0.09 0.00 -1.83 0.00 0.00 57.00 55.60 3ihr n GLN 307 Cb 0.39 -0.79 0.02 0.00 -0.86 0.00 0.00 30.24 29.00 3ihr n GLN 307 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 3ihr h LEU 308 N -0.05 0.91 0.71 2.61 3.38 -1.93 -2.91 115.31 118.02 3ihr h LEU 308 Ca -0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3ihr h LEU 308 Cb 1.07 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.58 3ihr h LEU 308 CO -0.02 0.93 -0.34 0.40 0.09 0.00 0.00 178.44 179.50 3ihr h ILE 309 N 0.86 0.30 -0.87 1.22 2.04 -1.85 -3.08 117.51 116.13 3ihr h ILE 309 Ca 0.18 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 66.07 3ihr h ILE 309 Cb 0.40 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 3ihr h ILE 309 CO 0.01 0.00 0.55 -0.65 0.00 0.00 0.00 178.15 178.06 3ihr h PRO 310 N -0.96 1.00 0.00 2.37 0.11 -1.80 -3.53 132.00 129.18 3ihr h PRO 310 Ca -0.10 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3ihr h PRO 310 Cb 0.73 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3ihr h PRO 310 CO 0.16 0.66 0.00 -0.11 -0.21 0.00 0.00 178.00 178.50