#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5d h TYR 3 N 0.00 0.59 -0.26 0.66 3.20 -1.93 -2.95 116.97 116.28 3h5d h TYR 3 Ca 0.00 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 3h5d h TYR 3 Cb 0.00 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3h5d h TYR 3 CO 0.00 0.29 -0.14 1.96 -1.64 0.00 0.00 178.16 178.63 3h5d h GLN 4 N 0.56 0.56 -0.62 1.82 1.08 -1.99 0.98 115.11 117.49 3h5d h GLN 4 Ca 0.30 -0.25 0.08 0.00 -1.45 0.00 0.00 58.65 57.34 3h5d h GLN 4 Cb 0.45 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.83 3h5d h GLN 4 CO -0.10 0.81 0.41 -0.44 -0.95 0.00 0.00 178.83 178.57 3h5d h ASP 5 N 0.29 0.45 0.00 1.46 3.32 -1.91 -3.05 116.42 116.97 3h5d h ASP 5 Ca 0.06 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.96 3h5d h ASP 5 Cb 0.65 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 3h5d h ASP 5 CO 0.04 0.28 -2.13 0.18 -1.72 0.00 0.00 179.24 175.89 3h5d n LEU 6 N -4.48 0.00 -0.54 1.55 7.99 -1.18 -4.69 117.00 115.66 3h5d n LEU 6 Ca 0.10 0.00 0.44 0.00 -0.01 0.00 0.00 56.01 56.53 3h5d n LEU 6 Cb 0.32 0.20 0.72 0.00 -0.11 0.00 0.00 43.42 44.55 3h5d n LEU 6 CO 0.34 0.20 1.31 0.07 -1.51 0.00 0.00 177.39 177.80 3h5d h LYS 7 N 0.00 0.01 -0.29 3.23 2.10 -0.68 0.67 116.57 121.61 3h5d h LYS 7 Ca -0.22 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 3h5d h LYS 7 Cb 1.49 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 3h5d h LYS 7 CO 0.01 0.01 0.00 0.39 -2.00 0.00 0.00 179.45 177.86 3h5d n GLU 8 N -4.50 2.41 -2.07 0.07 -0.58 -1.26 -4.97 120.64 109.74 3h5d n GLU 8 Ca 0.41 -2.17 -0.41 0.00 -0.42 0.00 0.00 57.16 54.57 3h5d n GLU 8 Cb 1.68 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 31.04 3h5d n GLU 8 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h5d n LYS 10 N 2.33 0.44 -3.54 0.00 4.76 -1.26 -4.44 118.16 116.45 3h5d n LYS 10 Ca 0.06 0.03 -0.27 0.00 -2.87 0.00 0.00 58.31 55.26 3h5d n LYS 10 Cb 0.41 -1.11 -0.10 0.00 -1.84 0.00 0.00 35.03 32.39 3h5d n LYS 10 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3h5d n ILE 11 N -2.61 0.19 -2.66 -0.18 5.41 -1.26 -0.48 119.36 117.78 3h5d n ILE 11 Ca -0.09 -4.18 -0.42 0.00 1.00 0.00 0.00 62.75 59.07 3h5d n ILE 11 Cb 0.60 -1.92 -0.04 0.00 -0.71 0.00 0.00 39.64 37.58 3h5d n ILE 11 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3h5d s ILE 12 N -0.89 4.50 -0.30 1.39 1.09 -0.56 -3.05 121.20 123.38 3h5d s ILE 12 Ca 0.31 1.94 -0.09 0.00 -1.10 0.00 0.00 60.65 61.71 3h5d s ILE 12 Cb 0.04 -4.24 -0.01 0.00 -1.06 0.00 0.00 42.46 37.19 3h5d s ILE 12 CO -0.16 0.23 0.13 -0.89 -0.10 0.00 0.00 174.94 174.15 3h5d s THR 13 N 0.46 4.47 -0.82 2.92 2.01 -0.39 0.05 115.64 124.34 3h5d s THR 13 Ca 0.50 -0.42 -0.25 0.00 0.31 0.00 0.00 61.69 61.84 3h5d s THR 13 Cb -0.24 -3.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 3h5d s THR 13 CO 0.30 0.11 1.99 0.00 -0.69 0.00 0.00 174.62 176.33 3h5d s ALA 14 N 1.60 1.66 -0.02 7.40 0.00 -0.20 -1.36 121.76 130.84 3h5d s ALA 14 Ca 0.05 -1.22 -0.30 0.00 0.00 0.00 0.00 51.96 50.49 3h5d s ALA 14 Cb -0.17 -4.50 -0.04 0.00 0.00 0.00 0.00 23.12 18.41 3h5d s ALA 14 CO 0.05 -4.74 1.16 0.12 0.00 0.00 0.00 175.76 172.35 3h5d s PHE 15 N 10.44 3.35 1.22 0.00 5.36 -0.23 -4.64 117.98 133.48 3h5d s PHE 15 Ca 0.73 1.33 -0.15 0.00 -0.96 0.00 0.00 56.93 57.88 3h5d s PHE 15 Cb -0.09 -3.36 0.29 0.00 -0.34 0.00 0.00 43.02 39.52 3h5d s PHE 15 CO 0.05 -1.04 0.84 0.44 -1.46 0.00 0.00 175.22 174.05 3h5d n ILE 16 N 4.30 0.00 -3.96 3.12 -5.35 -1.26 -3.53 119.36 112.68 3h5d n ILE 16 Ca 0.09 -0.42 -0.34 0.00 -0.27 0.00 0.00 62.75 61.81 3h5d n ILE 16 Cb 0.47 -0.94 -0.14 0.00 -1.74 0.00 0.00 39.64 37.29 3h5d n ILE 16 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3h5d s THR 17 N -2.33 2.86 0.42 7.28 2.01 -1.24 -4.75 115.64 119.89 3h5d s THR 17 Ca 0.67 -1.09 -0.24 0.00 0.31 0.00 0.00 61.69 61.34 3h5d s THR 17 Cb -0.22 -2.48 -0.08 0.00 0.01 0.00 0.00 72.50 69.72 3h5d s THR 17 CO 0.65 0.15 1.13 -2.84 -0.69 0.00 0.00 174.62 173.02 3h5d s PRO 18 N 1.31 3.97 0.26 4.92 0.02 -1.26 -4.94 135.00 139.29 3h5d s PRO 18 Ca -0.01 1.71 0.06 0.00 0.02 0.00 0.00 61.00 62.78 3h5d s PRO 18 Cb -0.17 -2.53 -0.05 0.00 0.02 0.00 0.00 34.50 31.77 3h5d s PRO 18 CO -0.04 -0.35 -0.06 -0.06 -0.33 0.00 0.00 177.00 176.15 3h5d s PHE 19 N -1.54 1.83 0.60 6.54 0.40 -1.11 -1.70 117.98 123.00 3h5d s PHE 19 Ca 0.60 -0.72 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 3h5d s PHE 19 Cb -0.27 -1.01 0.06 0.00 0.51 0.00 0.00 43.02 42.31 3h5d s PHE 19 CO 0.33 0.23 0.84 -1.01 0.70 0.00 0.00 175.22 176.32 3h5d s HIS 20 N -3.08 2.41 0.66 0.36 3.76 0.87 -4.25 115.29 116.02 3h5d s HIS 20 Ca 0.28 -0.12 0.43 0.00 -0.15 0.00 0.00 55.06 55.50 3h5d s HIS 20 Cb 0.03 -2.80 2.36 0.00 1.11 0.00 0.00 32.58 33.28 3h5d s HIS 20 CO 0.10 -1.14 2.35 0.93 -0.85 0.00 0.00 174.74 176.13 3h5d h GLU 21 N -0.11 0.00 0.00 1.40 4.39 -2.00 -2.30 114.58 115.97 3h5d h GLU 21 Ca -0.40 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.21 3h5d h GLU 21 Cb 1.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 3h5d h GLU 21 CO 0.48 0.00 -0.70 0.38 -1.16 0.00 0.00 179.01 178.01 3h5d h ASP 22 N 0.00 0.00 0.00 1.42 -0.00 -2.04 -3.48 116.42 112.33 3h5d h ASP 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3h5d h ASP 22 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.37 3h5d h ASP 22 CO -0.00 0.38 0.00 0.61 -0.00 0.00 0.00 179.24 180.23 3h5d n GLY 23 N 1.24 1.88 3.86 7.15 0.00 -0.86 -5.11 105.19 113.35 3h5d n GLY 23 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3h5d n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h5d s SER 24 N -1.85 6.51 0.12 1.61 0.01 -1.26 -4.77 113.70 114.07 3h5d s SER 24 Ca 0.00 1.37 -0.31 0.00 1.31 0.00 0.00 55.95 58.32 3h5d s SER 24 Cb 0.00 -2.43 -0.08 0.00 0.21 0.00 0.00 66.02 63.72 3h5d s SER 24 CO 0.00 -0.57 1.45 -0.63 0.41 0.00 0.00 173.24 173.90 3h5d s ILE 25 N -2.64 3.12 -1.02 1.44 1.01 -1.26 -0.09 121.20 121.75 3h5d s ILE 25 Ca 0.55 0.79 -0.14 0.00 0.00 0.00 0.00 60.65 61.85 3h5d s ILE 25 Cb -0.10 -3.50 0.19 0.00 0.01 0.00 0.00 42.46 39.05 3h5d s ILE 25 CO 0.36 0.06 1.13 0.21 0.00 0.00 0.00 174.94 176.70 3h5d s ASN 26 N 1.19 6.92 0.27 3.58 3.84 -0.69 -4.75 114.94 125.31 3h5d s ASN 26 Ca 0.66 -2.76 0.23 0.00 0.21 0.00 0.00 52.86 51.20 3h5d s ASN 26 Cb -0.39 -2.32 1.01 0.00 -0.55 0.00 0.00 41.25 39.00 3h5d s ASN 26 CO 0.30 -0.71 1.70 0.49 -2.79 0.00 0.00 177.10 176.09 3h5d n PHE 27 N 4.97 0.79 0.07 0.43 3.01 -1.26 -3.00 117.46 122.47 3h5d n PHE 27 Ca 0.25 0.33 -0.09 0.00 1.01 0.00 0.00 57.45 58.95 3h5d n PHE 27 Cb 0.45 -1.03 0.02 0.00 -0.01 0.00 0.00 39.48 38.91 3h5d n PHE 27 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3h5d h ASP 28 N 0.00 0.38 1.64 4.37 3.32 -1.99 -3.09 116.42 121.05 3h5d h ASP 28 Ca 0.00 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 3h5d h ASP 28 Cb 0.30 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3h5d h ASP 28 CO 0.00 1.03 -0.05 0.00 -1.72 0.00 0.00 179.24 178.50 3h5d h ALA 29 N 0.95 0.98 -0.74 3.45 0.00 -1.85 -3.35 119.26 118.70 3h5d h ALA 29 Ca -0.04 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3h5d h ALA 29 Cb 1.39 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 3h5d h ALA 29 CO 0.13 0.06 0.39 0.82 0.00 0.00 0.00 179.25 180.65 3h5d h ILE 30 N 0.00 0.87 -0.23 0.00 2.04 -1.65 -2.39 117.51 116.15 3h5d h ILE 30 Ca -0.00 -0.22 -0.20 0.00 1.00 0.00 0.00 64.86 65.44 3h5d h ILE 30 Cb 0.89 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3h5d h ILE 30 CO 0.01 0.12 -0.63 -0.65 0.00 0.00 0.00 178.15 176.99 3h5d h PRO 31 N 0.65 0.84 -1.00 2.37 0.11 -1.75 -2.33 132.00 130.88 3h5d h PRO 31 Ca 0.36 -0.59 0.22 0.00 0.11 0.00 0.00 66.00 66.10 3h5d h PRO 31 Cb 0.36 0.09 -0.11 0.00 0.11 0.00 0.00 31.00 31.45 3h5d h PRO 31 CO -0.26 1.21 0.61 0.00 -0.21 0.00 0.00 178.00 179.36 3h5d h ALA 32 N 0.62 1.80 0.00 -0.75 0.00 -1.63 -2.07 119.26 117.24 3h5d h ALA 32 Ca -0.01 0.09 -0.37 0.00 0.00 0.00 0.00 54.91 54.62 3h5d h ALA 32 Cb 1.25 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 3h5d h ALA 32 CO 0.14 -0.21 -2.40 1.47 0.00 0.00 0.00 179.25 178.25 3h5d n LEU 33 N -4.78 0.55 -0.31 0.00 -0.00 -0.95 -3.67 117.00 107.84 3h5d n LEU 33 Ca 0.25 -0.02 0.05 0.00 -0.00 0.00 0.00 56.01 56.29 3h5d n LEU 33 Cb 0.68 0.24 0.21 0.00 -0.00 0.00 0.00 43.42 44.54 3h5d n LEU 33 CO 0.20 0.58 1.16 0.40 -0.00 0.00 0.00 177.39 179.73 3h5d h ILE 34 N 0.00 0.86 -0.40 1.47 2.04 -1.37 0.51 117.51 120.63 3h5d h ILE 34 Ca -0.55 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.05 3h5d h ILE 34 Cb 2.18 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 3h5d h ILE 34 CO 0.01 0.15 0.24 -0.08 0.00 0.00 0.00 178.15 178.47 3h5d h GLU 35 N 0.81 0.47 -0.67 2.37 4.57 -1.53 -1.64 114.58 118.96 3h5d h GLU 35 Ca 0.45 -0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.72 3h5d h GLU 35 Cb 0.49 -0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 28.88 3h5d h GLU 35 CO -0.28 0.31 0.21 1.25 -1.18 0.00 0.00 179.01 179.32 3h5d h HIS 36 N 0.49 0.36 -0.05 0.92 2.76 -1.20 0.34 115.15 118.77 3h5d h HIS 36 Ca 0.16 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.36 3h5d h HIS 36 Cb -0.01 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 3h5d h HIS 36 CO -0.07 0.02 0.02 -0.07 -1.30 0.00 0.00 177.93 176.54 3h5d h LEU 37 N 0.36 0.07 -1.50 0.26 4.07 -0.09 -0.05 115.31 118.42 3h5d h LEU 37 Ca 0.36 -0.15 -0.05 0.00 0.08 0.00 0.00 57.88 58.11 3h5d h LEU 37 Cb 0.53 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 3h5d h LEU 37 CO -0.40 0.20 -0.25 -0.07 -1.08 0.00 0.00 178.44 176.84 3h5d h LEU 38 N -0.07 0.00 -1.99 1.67 4.07 -1.07 -0.12 115.31 117.80 3h5d h LEU 38 Ca 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 3h5d h LEU 38 Cb 0.15 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 3h5d h LEU 38 CO -0.00 0.25 -0.05 0.00 -1.08 0.00 0.00 178.44 177.56 3h5d h ALA 39 N 1.75 1.08 -1.06 1.53 0.00 0.74 -3.32 119.26 119.98 3h5d h ALA 39 Ca -0.00 -0.05 -0.48 0.00 0.00 0.00 0.00 54.91 54.38 3h5d h ALA 39 Cb 0.53 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 17.90 3h5d h ALA 39 CO 0.03 0.06 -0.91 0.72 0.00 0.00 0.00 179.25 179.15 3h5d n HIS 40 N -3.27 2.43 -2.17 0.00 8.25 -0.12 -4.97 115.22 115.36 3h5d n HIS 40 Ca -0.01 -2.68 -0.08 0.00 -0.26 0.00 0.00 57.72 54.69 3h5d n HIS 40 Cb 0.23 -0.23 -0.00 0.00 1.12 0.00 0.00 29.99 31.10 3h5d n HIS 40 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3h5d n HIS 41 N -0.46 -0.38 -3.23 4.41 8.25 -1.16 -4.30 115.22 118.34 3h5d n HIS 41 Ca 0.29 0.02 -0.45 0.00 -0.26 0.00 0.00 57.72 57.31 3h5d n HIS 41 Cb 0.79 -2.08 -0.00 0.00 1.12 0.00 0.00 29.99 29.82 3h5d n HIS 41 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3h5d s THR 42 N -2.40 5.70 -0.49 1.59 2.01 -0.80 -4.60 115.64 116.65 3h5d s THR 42 Ca 0.01 -3.10 0.01 0.00 0.31 0.00 0.00 61.69 58.92 3h5d s THR 42 Cb -0.00 -4.67 0.05 0.00 0.01 0.00 0.00 72.50 67.88 3h5d s THR 42 CO 0.01 -1.29 0.82 -0.90 -0.69 0.00 0.00 174.62 172.57 3h5d n ASP 43 N 3.64 2.18 -3.55 3.53 5.68 -1.17 -4.52 116.55 122.34 3h5d n ASP 43 Ca 0.26 -2.08 -0.06 0.00 -0.50 0.00 0.00 54.79 52.41 3h5d n ASP 43 Cb 0.41 -0.52 -0.02 0.00 -1.14 0.00 0.00 41.12 39.85 3h5d n ASP 43 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3h5d s GLY 44 N 0.41 -0.38 -0.11 6.12 0.00 -1.24 -4.34 107.32 107.79 3h5d s GLY 44 Ca 0.03 1.31 -0.04 0.00 0.00 0.00 0.00 44.72 46.03 3h5d s GLY 44 CO 0.01 0.44 0.17 -0.42 0.00 0.00 0.00 173.10 173.30 3h5d s ILE 45 N -2.76 -0.28 -0.34 0.90 1.01 -0.98 -1.26 121.20 117.50 3h5d s ILE 45 Ca 0.07 0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.83 3h5d s ILE 45 Cb -0.01 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 42.08 3h5d s ILE 45 CO -0.07 0.09 0.41 -0.22 0.00 0.00 0.00 174.94 175.15 3h5d s LEU 46 N 2.30 4.37 0.16 2.97 2.96 -0.46 -0.74 118.68 130.24 3h5d s LEU 46 Ca 0.03 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.78 3h5d s LEU 46 Cb -0.13 -2.43 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 3h5d s LEU 46 CO -0.07 -0.37 0.39 -0.76 -1.32 0.00 0.00 176.35 174.22 3h5d s LEU 47 N 2.15 4.25 -1.42 -0.68 1.43 -0.47 -1.06 118.68 122.86 3h5d s LEU 47 Ca 0.14 0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 53.76 3h5d s LEU 47 Cb -0.16 -3.31 0.03 0.00 0.03 0.00 0.00 46.19 42.78 3h5d s LEU 47 CO 0.12 0.02 0.50 0.00 0.23 0.00 0.00 176.35 177.22 3h5d n ALA 48 N -0.09 -0.98 -1.00 4.21 0.00 -1.26 -1.66 120.51 119.73 3h5d n ALA 48 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3h5d n ALA 48 Cb 0.52 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.75 3h5d n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h5d n GLY 49 N -1.32 -0.43 0.15 0.00 0.00 -1.26 -4.51 105.19 97.82 3h5d n GLY 49 Ca -0.08 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 3h5d n GLY 49 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h5d h THR 50 N -0.06 1.29 0.00 2.61 2.02 -1.95 -2.69 112.91 114.13 3h5d h THR 50 Ca 0.00 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 3h5d h THR 50 Cb 0.00 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3h5d h THR 50 CO 0.00 0.33 -0.03 0.74 0.37 0.00 0.00 175.52 176.93 3h5d h THR 51 N 0.13 0.98 0.00 3.16 2.02 -1.88 -0.18 112.91 117.13 3h5d h THR 51 Ca 0.05 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3h5d h THR 51 Cb 0.53 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3h5d h THR 51 CO 0.02 0.03 -0.03 0.00 0.37 0.00 0.00 175.52 175.91 3h5d n ALA 52 N -2.52 2.37 -2.58 6.16 0.00 -1.20 -4.30 120.51 118.43 3h5d n ALA 52 Ca -0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 3h5d n ALA 52 Cb 0.11 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.15 3h5d n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h5d n GLU 53 N -1.75 -2.64 -0.31 0.00 1.02 -0.08 -3.69 120.64 113.18 3h5d n GLU 53 Ca 0.06 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 3h5d n GLU 53 Cb 0.37 -3.82 0.18 0.00 -0.02 0.00 0.00 31.44 28.15 3h5d n GLU 53 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3h5d h SER 54 N -0.77 1.01 -1.35 1.62 4.64 -1.69 -2.41 113.55 114.60 3h5d h SER 54 Ca -0.23 -0.02 0.45 0.00 -0.47 0.00 0.00 61.79 61.52 3h5d h SER 54 Cb 1.13 -0.24 -0.13 0.00 -0.31 0.00 0.00 62.40 62.86 3h5d h SER 54 CO 0.20 0.71 0.88 -0.65 -0.87 0.00 0.00 176.83 177.09 3h5d h PRO 55 N 1.18 0.06 -0.01 4.77 0.11 -1.93 0.45 132.00 136.64 3h5d h PRO 55 Ca 0.35 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3h5d h PRO 55 Cb -0.04 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3h5d h PRO 55 CO -0.10 0.04 -0.68 0.25 -0.21 0.00 0.00 178.00 177.31 3h5d n THR 56 N -4.68 0.00 -3.16 -1.15 -2.24 -0.91 -4.87 114.28 97.28 3h5d n THR 56 Ca 0.38 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.64 3h5d n THR 56 Cb 1.48 0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 70.60 3h5d n THR 56 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h5d s LEU 57 N -2.75 4.20 0.99 3.22 1.02 0.15 -5.06 118.68 120.44 3h5d s LEU 57 Ca 0.14 0.27 -0.11 0.00 0.02 0.00 0.00 54.13 54.45 3h5d s LEU 57 Cb 0.17 -2.74 0.17 0.00 0.02 0.00 0.00 46.19 43.81 3h5d s LEU 57 CO 0.71 -0.48 1.00 0.35 0.02 0.00 0.00 176.35 177.95 3h5d n THR 58 N 5.42 0.00 -0.14 5.49 -2.24 -1.26 -4.75 114.28 116.80 3h5d n THR 58 Ca -0.02 -0.13 -0.04 0.00 -2.27 0.00 0.00 64.05 61.58 3h5d n THR 58 Cb 0.49 -0.95 0.04 0.00 -2.10 0.00 0.00 70.33 67.82 3h5d n THR 58 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3h5d h HIS 59 N -2.06 0.23 0.63 4.78 2.76 -1.97 -1.56 115.15 117.96 3h5d h HIS 59 Ca -0.48 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 57.69 3h5d h HIS 59 Cb 1.29 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.21 3h5d h HIS 59 CO 0.42 0.06 -0.34 -0.44 -1.30 0.00 0.00 177.93 176.33 3h5d h ASP 60 N 0.29 -0.84 -1.12 3.26 3.45 -2.00 -2.43 116.42 117.02 3h5d h ASP 60 Ca 0.21 0.04 0.34 0.00 0.43 0.00 0.00 57.03 58.05 3h5d h ASP 60 Cb 0.23 0.23 -0.12 0.00 -0.56 0.00 0.00 39.33 39.11 3h5d h ASP 60 CO -0.24 -0.56 0.70 -0.33 -1.57 0.00 0.00 179.24 177.25 3h5d h GLU 61 N -0.90 0.27 -0.05 3.56 5.08 -1.88 0.26 114.58 120.91 3h5d h GLU 61 Ca -0.08 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 3h5d h GLU 61 Cb 0.71 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3h5d h GLU 61 CO 0.11 0.18 -0.70 1.49 -1.00 0.00 0.00 179.01 179.09 3h5d h GLU 62 N 0.28 0.27 0.12 2.33 4.81 -0.94 -0.79 114.58 120.65 3h5d h GLU 62 Ca 0.71 -0.22 -0.27 0.00 -0.13 0.00 0.00 59.36 59.45 3h5d h GLU 62 Cb 1.90 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.33 3h5d h GLU 62 CO -0.42 0.86 -1.26 -0.07 -0.73 0.00 0.00 179.01 177.39 3h5d h LEU 63 N 0.18 0.39 -1.29 1.64 3.38 -0.22 -2.54 115.31 116.85 3h5d h LEU 63 Ca -0.02 -0.43 0.13 0.00 0.09 0.00 0.00 57.88 57.65 3h5d h LEU 63 Cb 1.25 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 3h5d h LEU 63 CO 0.11 1.34 0.56 -0.33 0.09 0.00 0.00 178.44 180.21 3h5d h GLU 64 N 0.07 0.69 -0.18 1.13 5.08 -0.55 -2.05 114.58 118.77 3h5d h GLU 64 Ca -0.14 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 3h5d h GLU 64 Cb 1.96 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 31.05 3h5d h GLU 64 CO 0.19 0.46 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.48 3h5d h LEU 65 N 0.71 0.40 -1.20 1.33 4.07 -1.03 -2.70 115.31 116.89 3h5d h LEU 65 Ca 0.43 -0.43 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 3h5d h LEU 65 Cb 0.64 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.25 3h5d h LEU 65 CO -0.19 0.74 0.23 -0.26 -1.08 0.00 0.00 178.44 177.89 3h5d h PHE 66 N 0.06 0.78 0.40 1.13 0.04 -1.06 -2.82 116.94 115.49 3h5d h PHE 66 Ca 0.04 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3h5d h PHE 66 Cb 0.60 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.51 3h5d h PHE 66 CO 0.07 0.60 -0.19 0.00 -0.60 0.00 0.00 178.31 178.19 3h5d h ALA 67 N 1.48 -0.54 0.00 2.45 0.00 -1.39 -1.47 119.26 119.78 3h5d h ALA 67 Ca 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h5d h ALA 67 Cb 0.13 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3h5d h ALA 67 CO -0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 179.25 178.45 3h5d h ALA 68 N -0.05 1.26 0.05 0.00 0.00 -1.26 -1.38 119.26 117.88 3h5d h ALA 68 Ca -0.06 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.48 3h5d h ALA 68 Cb 0.46 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3h5d h ALA 68 CO 0.09 0.02 -2.09 0.28 0.00 0.00 0.00 179.25 177.55 3h5d n VAL 69 N -3.49 1.63 0.31 0.00 0.31 -1.08 -2.44 118.33 113.57 3h5d n VAL 69 Ca -0.03 -0.49 0.19 0.00 -0.01 0.00 0.00 64.34 64.00 3h5d n VAL 69 Cb 0.11 -1.71 0.99 0.00 -0.91 0.00 0.00 33.84 32.31 3h5d n VAL 69 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3h5d h GLN 70 N -0.26 0.00 0.25 5.55 4.20 -1.06 0.48 115.11 124.27 3h5d h GLN 70 Ca -0.49 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.20 3h5d h GLN 70 Cb 1.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.61 3h5d h GLN 70 CO -0.08 0.02 -0.12 -0.22 -0.67 0.00 0.00 178.83 177.76 3h5d h LYS 71 N 0.00 -0.32 0.37 1.46 3.64 -1.35 -3.35 116.57 117.02 3h5d h LYS 71 Ca -0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3h5d h LYS 71 Cb 0.19 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3h5d h LYS 71 CO 0.00 -0.21 -0.25 0.28 -2.27 0.00 0.00 179.45 177.00 3h5d h VAL 72 N -1.06 0.48 -2.29 2.00 2.07 -1.07 -3.30 116.25 113.07 3h5d h VAL 72 Ca -0.03 0.00 -0.58 0.00 0.82 0.00 0.00 66.70 66.91 3h5d h VAL 72 Cb 0.26 0.48 -0.11 0.00 -1.52 0.00 0.00 31.29 30.40 3h5d h VAL 72 CO 0.06 0.00 0.96 0.54 0.02 0.00 0.00 177.57 179.14 3h5d s VAL 73 N -6.08 3.96 0.43 2.57 0.11 0.16 -4.89 120.40 116.66 3h5d s VAL 73 Ca -0.16 -0.04 0.21 0.00 -2.93 0.00 0.00 61.98 59.05 3h5d s VAL 73 Cb 0.05 -4.86 0.41 0.00 -1.53 0.00 0.00 36.38 30.45 3h5d s VAL 73 CO 0.64 -1.74 1.81 0.78 -3.33 0.00 0.00 175.10 173.25 3h5d h ASN 74 N 9.82 0.37 0.00 3.54 4.21 -1.69 -3.40 115.58 128.42 3h5d h ASN 74 Ca -0.20 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.36 3h5d h ASN 74 Cb 1.05 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 3h5d h ASN 74 CO 1.26 0.10 0.00 0.61 -1.29 0.00 0.00 177.43 178.11 3h5d n GLY 75 N -1.53 -0.64 0.26 2.83 0.00 -1.26 -4.95 105.19 99.91 3h5d n GLY 75 Ca 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 3h5d n GLY 75 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h5d h ARG 76 N 0.00 -0.13 -5.63 1.61 -0.00 -1.95 -3.43 114.38 104.85 3h5d h ARG 76 Ca 0.00 0.01 -0.47 0.00 -0.50 0.00 0.00 59.98 59.02 3h5d h ARG 76 Cb 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 29.97 29.78 3h5d h ARG 76 CO 0.00 -0.09 -0.80 0.14 0.00 0.00 0.00 179.97 179.22 3h5d s VAL 77 N -6.12 1.33 0.55 2.04 -7.23 -1.26 -5.07 120.40 104.64 3h5d s VAL 77 Ca -0.14 -1.33 -0.21 0.00 -1.81 0.00 0.00 61.98 58.49 3h5d s VAL 77 Cb 0.15 -1.23 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 3h5d s VAL 77 CO 0.70 -0.12 1.32 -2.84 -0.31 0.00 0.00 175.10 173.86 3h5d s PRO 78 N -1.67 3.11 0.04 4.82 0.02 -1.26 -4.86 135.00 135.20 3h5d s PRO 78 Ca 0.02 2.14 0.09 0.00 0.02 0.00 0.00 61.00 63.27 3h5d s PRO 78 Cb -0.10 -2.19 -0.03 0.00 0.02 0.00 0.00 34.50 32.20 3h5d s PRO 78 CO 0.03 -1.19 -0.25 -0.51 -0.33 0.00 0.00 177.00 174.75 3h5d s LEU 79 N -3.63 2.22 -0.04 -5.54 1.43 -1.26 -2.32 118.68 109.53 3h5d s LEU 79 Ca 0.73 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 3h5d s LEU 79 Cb -0.38 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 3h5d s LEU 79 CO 0.44 0.26 -0.20 -0.63 0.23 0.00 0.00 176.35 176.46 3h5d s ILE 80 N -0.82 2.59 -0.11 -0.59 -1.09 0.08 -1.31 121.20 119.96 3h5d s ILE 80 Ca 0.12 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.67 3h5d s ILE 80 Cb -0.10 -1.98 -0.01 0.00 -1.58 0.00 0.00 42.46 38.79 3h5d s ILE 80 CO 0.02 0.58 -0.19 0.00 -1.23 0.00 0.00 174.94 174.13 3h5d s ALA 81 N -0.57 2.40 -0.05 9.38 0.00 -0.78 -1.37 121.76 130.77 3h5d s ALA 81 Ca 0.08 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 3h5d s ALA 81 Cb -0.11 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 3h5d s ALA 81 CO 0.01 0.29 1.50 0.20 0.00 0.00 0.00 175.76 177.76 3h5d s GLY 82 N 0.27 1.65 0.00 0.00 0.00 -0.66 -0.36 107.32 108.22 3h5d s GLY 82 Ca -0.13 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.43 3h5d s GLY 82 CO 0.07 2.77 0.00 3.33 0.00 0.00 0.00 173.10 179.27 3h5d n VAL 83 N 5.17 0.00 -2.63 1.40 0.24 -0.52 -4.89 118.33 117.11 3h5d n VAL 83 Ca 0.15 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.34 62.04 3h5d n VAL 83 Cb 0.43 0.29 -0.05 0.00 -1.47 0.00 0.00 33.84 33.04 3h5d n VAL 83 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3h5d s GLY 84 N -0.61 3.00 0.18 7.63 0.00 -0.69 -4.66 107.32 112.17 3h5d s GLY 84 Ca 0.00 0.72 0.02 0.00 0.00 0.00 0.00 44.72 45.46 3h5d s GLY 84 CO 0.00 1.26 0.07 -0.37 0.00 0.00 0.00 173.10 174.07 3h5d n THR 85 N 1.03 0.00 0.97 0.90 5.66 -1.26 -4.63 114.28 116.94 3h5d n THR 85 Ca -0.00 -1.07 0.12 0.00 -3.05 0.00 0.00 64.05 60.04 3h5d n THR 85 Cb 0.47 0.41 0.31 0.00 -1.55 0.00 0.00 70.33 69.96 3h5d n THR 85 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 3h5d n ASN 86 N -1.90 2.38 -4.33 1.09 6.94 -1.26 -4.50 115.26 113.68 3h5d n ASN 86 Ca -0.02 -1.81 -0.35 0.00 -0.02 0.00 0.00 54.58 52.38 3h5d n ASN 86 Cb 0.27 -0.12 -0.14 0.00 -2.36 0.00 0.00 39.78 37.44 3h5d n ASN 86 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3h5d s ASP 87 N -1.68 4.54 0.23 0.53 3.68 -1.26 -4.85 116.67 117.86 3h5d s ASP 87 Ca 0.34 -0.42 -0.08 0.00 2.13 0.00 0.00 52.55 54.53 3h5d s ASP 87 Cb 0.20 -1.78 0.24 0.00 -1.45 0.00 0.00 42.92 40.13 3h5d s ASP 87 CO 0.30 -0.05 1.88 0.74 0.13 0.00 0.00 175.17 178.17 3h5d h THR 88 N 5.72 1.15 0.18 1.71 2.02 -1.95 -2.51 112.91 119.22 3h5d h THR 88 Ca -0.39 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 3h5d h THR 88 Cb 1.16 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3h5d h THR 88 CO 0.60 0.19 -0.22 -0.09 0.37 0.00 0.00 175.52 176.37 3h5d h ARG 89 N 1.06 -0.40 -0.55 6.66 9.65 -1.98 -1.44 114.38 127.39 3h5d h ARG 89 Ca 0.33 0.03 0.16 0.00 -1.10 0.00 0.00 59.98 59.40 3h5d h ARG 89 Cb -0.01 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 3h5d h ARG 89 CO -0.11 -0.26 0.46 -0.44 2.80 0.00 0.00 179.97 182.41 3h5d h ASP 90 N -0.41 0.00 0.25 -3.80 3.32 -1.99 0.30 116.42 114.10 3h5d h ASP 90 Ca -0.02 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 3h5d h ASP 90 Cb 0.37 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3h5d h ASP 90 CO -0.05 0.00 -0.55 0.28 -1.72 0.00 0.00 179.24 177.20 3h5d h SER 91 N 0.00 0.36 -0.08 6.45 0.02 -0.99 -1.32 113.55 117.98 3h5d h SER 91 Ca 0.26 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3h5d h SER 91 Cb 1.17 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 3h5d h SER 91 CO -0.00 0.84 -0.04 0.40 -1.14 0.00 0.00 176.83 176.88 3h5d h ILE 92 N 0.25 1.33 -0.43 3.27 2.04 0.67 -1.81 117.51 122.82 3h5d h ILE 92 Ca 0.00 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 64.74 3h5d h ILE 92 Cb 1.05 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 3h5d h ILE 92 CO 0.09 0.30 0.09 -0.33 0.00 0.00 0.00 178.15 178.30 3h5d h GLU 93 N -0.20 0.70 -0.40 2.37 4.39 -1.43 -2.43 114.58 117.58 3h5d h GLU 93 Ca 0.02 -0.18 -0.11 0.00 0.34 0.00 0.00 59.36 59.43 3h5d h GLU 93 Cb 0.50 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3h5d h GLU 93 CO 0.01 0.72 -0.19 0.35 -1.16 0.00 0.00 179.01 178.75 3h5d h PHE 94 N 0.57 0.86 -0.12 4.33 3.57 -1.28 -1.70 116.94 123.17 3h5d h PHE 94 Ca 0.13 -0.18 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 3h5d h PHE 94 Cb 0.34 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3h5d h PHE 94 CO 0.02 0.89 -0.28 -0.24 -2.23 0.00 0.00 178.31 176.48 3h5d h VAL 95 N 0.68 1.25 0.15 1.41 3.04 -1.24 -1.90 116.25 119.65 3h5d h VAL 95 Ca 0.10 -1.17 -0.01 0.00 -1.01 0.00 0.00 66.70 64.62 3h5d h VAL 95 Cb 0.68 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 3h5d h VAL 95 CO 0.05 0.35 -0.07 0.11 -1.01 0.00 0.00 177.57 177.00 3h5d h LYS 96 N 0.20 -0.20 -0.84 4.17 1.79 -1.16 -2.66 116.57 117.88 3h5d h LYS 96 Ca 0.03 0.01 0.13 0.00 -2.18 0.00 0.00 60.65 58.65 3h5d h LYS 96 Cb 0.60 0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 31.21 3h5d h LYS 96 CO 0.04 0.11 0.44 0.93 -1.08 0.00 0.00 179.45 179.89 3h5d h GLU 97 N -0.52 0.64 0.00 3.15 5.08 -1.12 -1.47 114.58 120.33 3h5d h GLU 97 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3h5d h GLU 97 Cb 0.40 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3h5d h GLU 97 CO 0.03 0.42 0.00 0.28 -1.00 0.00 0.00 179.01 178.75 3h5d h VAL 98 N 0.66 0.00 0.03 3.13 2.07 -1.33 0.13 116.25 120.94 3h5d h VAL 98 Ca 0.44 -0.88 -0.20 0.00 0.82 0.00 0.00 66.70 66.89 3h5d h VAL 98 Cb 0.58 1.88 0.02 0.00 -1.52 0.00 0.00 31.29 32.24 3h5d h VAL 98 CO -0.33 0.00 -0.79 0.00 0.02 0.00 0.00 177.57 176.47 3h5d h ALA 99 N 2.08 0.05 -0.31 1.67 0.00 -1.08 -3.00 119.26 118.67 3h5d h ALA 99 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 54.91 54.30 3h5d h ALA 99 Cb 0.92 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3h5d h ALA 99 CO 0.00 0.45 0.15 0.93 0.00 0.00 0.00 179.25 180.78 3h5d h GLU 100 N -0.01 0.30 -0.75 0.00 5.08 -1.07 -1.98 114.58 116.15 3h5d h GLU 100 Ca -0.11 -0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.41 3h5d h GLU 100 Cb 1.50 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 3h5d h GLU 100 CO 0.15 0.20 0.52 0.35 -1.00 0.00 0.00 179.01 179.23 3h5d h PHE 101 N 0.31 0.30 -1.67 4.33 3.04 -0.79 -3.48 116.94 118.98 3h5d h PHE 101 Ca 0.13 0.01 0.19 0.00 3.98 0.00 0.00 57.97 62.28 3h5d h PHE 101 Cb 0.06 -0.09 -0.07 0.00 2.56 0.00 0.00 35.95 38.41 3h5d h PHE 101 CO -0.10 0.10 -0.40 0.41 -2.02 0.00 0.00 178.31 176.30 3h5d n GLY 102 N -1.58 -2.08 2.56 2.40 0.00 -0.74 -4.94 105.19 100.79 3h5d n GLY 102 Ca 0.15 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3h5d n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5d n GLY 103 N -3.17 0.80 3.15 -0.02 0.00 -1.26 -4.96 105.19 99.73 3h5d n GLY 103 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3h5d n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h5d s PHE 104 N -3.18 3.17 0.53 1.61 0.08 -1.26 -4.52 117.98 114.42 3h5d s PHE 104 Ca 0.00 -1.87 0.30 0.00 0.12 0.00 0.00 56.93 55.47 3h5d s PHE 104 Cb 0.00 -2.03 1.73 0.00 -0.57 0.00 0.00 43.02 42.14 3h5d s PHE 104 CO 0.00 -0.80 2.20 0.00 -0.10 0.00 0.00 175.22 176.52 3h5d h ALA 105 N 7.94 1.41 -2.26 5.36 0.00 -1.58 -3.44 119.26 126.69 3h5d h ALA 105 Ca -0.26 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 54.82 3h5d h ALA 105 Cb 1.08 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 3h5d h ALA 105 CO 0.53 0.05 0.58 0.00 0.00 0.00 0.00 179.25 180.42 3h5d s ALA 106 N -4.45 -1.74 0.13 0.00 0.00 -1.22 0.22 121.76 114.71 3h5d s ALA 106 Ca -0.04 0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.05 3h5d s ALA 106 Cb 0.14 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 3h5d s ALA 106 CO 0.55 -1.06 -0.20 0.20 0.00 0.00 0.00 175.76 175.26 3h5d s GLY 107 N -3.13 1.31 -0.18 0.00 0.00 -0.33 -1.87 107.32 103.12 3h5d s GLY 107 Ca 0.16 -1.37 -0.07 0.00 0.00 0.00 0.00 44.72 43.45 3h5d s GLY 107 CO 0.02 -1.39 0.05 -2.27 0.00 0.00 0.00 173.10 169.51 3h5d s LEU 108 N -2.28 3.75 -0.24 0.66 2.96 0.51 -0.05 118.68 124.00 3h5d s LEU 108 Ca 0.11 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 3h5d s LEU 108 Cb -0.08 -1.95 0.05 0.00 0.50 0.00 0.00 46.19 44.72 3h5d s LEU 108 CO 0.05 0.17 -0.12 0.00 -1.32 0.00 0.00 176.35 175.13 3h5d s ALA 109 N 0.39 2.41 0.33 5.97 0.00 0.07 -1.43 121.76 129.49 3h5d s ALA 109 Ca 0.02 -1.57 -0.29 0.00 0.00 0.00 0.00 51.96 50.12 3h5d s ALA 109 Cb -0.13 -1.47 -0.10 0.00 0.00 0.00 0.00 23.12 21.42 3h5d s ALA 109 CO 0.00 -1.00 1.33 -1.50 0.00 0.00 0.00 175.76 174.60 3h5d s ILE 110 N 1.19 2.66 0.31 0.00 2.07 -1.26 -0.83 121.20 125.35 3h5d s ILE 110 Ca -0.05 0.65 -0.29 0.00 -1.41 0.00 0.00 60.65 59.55 3h5d s ILE 110 Cb -0.18 -3.42 -0.10 0.00 0.13 0.00 0.00 42.46 38.89 3h5d s ILE 110 CO -0.07 0.15 1.35 0.68 -1.91 0.00 0.00 174.94 175.15 3h5d s VAL 111 N -1.02 2.65 0.10 4.00 -7.23 -0.78 -4.63 120.40 113.49 3h5d s VAL 111 Ca 0.50 0.63 -0.36 0.00 -1.81 0.00 0.00 61.98 60.94 3h5d s VAL 111 Cb -0.40 -3.40 -0.17 0.00 0.56 0.00 0.00 36.38 32.97 3h5d s VAL 111 CO 0.53 0.14 1.26 -2.65 -0.31 0.00 0.00 175.10 174.07 3h5d n PRO 112 N 1.17 1.03 -4.04 4.82 -0.02 -1.26 -4.95 135.00 131.75 3h5d n PRO 112 Ca 0.02 0.37 -0.23 0.00 -2.02 0.00 0.00 63.50 61.64 3h5d n PRO 112 Cb 0.41 -1.96 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 3h5d n PRO 112 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3h5d s TYR 113 N 0.27 3.28 0.00 6.00 1.13 -1.26 -4.35 117.35 122.41 3h5d s TYR 113 Ca 0.82 -0.03 0.00 0.00 -1.41 0.00 0.00 57.07 56.45 3h5d s TYR 113 Cb -0.96 -1.51 0.00 0.00 -1.10 0.00 0.00 41.96 38.39 3h5d s TYR 113 CO 0.49 0.50 0.00 0.98 -2.51 0.00 0.00 175.55 175.01 3h5d n TYR 114 N -0.98 0.00 1.23 -3.49 9.36 -1.26 -4.54 117.16 117.48 3h5d n TYR 114 Ca -0.08 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.26 3h5d n TYR 114 Cb 0.56 0.00 0.39 0.00 -0.63 0.00 0.00 39.34 39.66 3h5d n TYR 114 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3h5d n ASN 115 N 2.51 1.94 -3.88 2.98 0.23 -1.26 -5.00 115.26 112.78 3h5d n ASN 115 Ca 0.00 -1.68 -0.33 0.00 -0.53 0.00 0.00 54.58 52.03 3h5d n ASN 115 Cb 0.00 -0.06 0.01 0.00 -2.08 0.00 0.00 39.78 37.65 3h5d n ASN 115 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3h5d n LYS 116 N 0.51 -0.99 -1.14 -3.83 5.02 -1.26 -4.90 118.16 111.57 3h5d n LYS 116 Ca 0.17 0.49 -0.33 0.00 -2.02 0.00 0.00 58.31 56.62 3h5d n LYS 116 Cb 0.40 -2.57 0.12 0.00 -0.02 0.00 0.00 35.03 32.97 3h5d n LYS 116 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3h5d s PRO 117 N -5.95 1.67 0.61 1.97 0.02 -1.26 -5.03 135.00 127.03 3h5d s PRO 117 Ca 0.22 1.74 -0.05 0.00 0.02 0.00 0.00 61.00 62.94 3h5d s PRO 117 Cb -0.12 -1.78 0.02 0.00 0.02 0.00 0.00 34.50 32.64 3h5d s PRO 117 CO 0.92 -2.19 0.91 -1.54 -0.33 0.00 0.00 177.00 174.77 3h5d s SER 118 N -2.18 5.39 0.38 2.53 1.04 -1.26 -4.81 113.70 114.80 3h5d s SER 118 Ca 0.73 0.59 0.12 0.00 0.48 0.00 0.00 55.95 57.86 3h5d s SER 118 Cb -0.28 -1.50 0.91 0.00 0.10 0.00 0.00 66.02 65.25 3h5d s SER 118 CO 0.50 -1.18 1.88 1.56 0.98 0.00 0.00 173.24 176.99 3h5d h GLN 119 N -0.24 0.56 -0.05 4.02 1.08 -1.96 0.48 115.11 119.01 3h5d h GLN 119 Ca -0.45 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 56.68 3h5d h GLN 119 Cb 1.27 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3h5d h GLN 119 CO 0.60 0.37 -0.11 1.49 -0.95 0.00 0.00 178.83 180.24 3h5d h GLU 120 N 0.58 0.16 -0.57 1.46 4.57 -1.99 -2.56 114.58 116.23 3h5d h GLU 120 Ca 0.42 -0.10 0.12 0.00 -1.18 0.00 0.00 59.36 58.62 3h5d h GLU 120 Cb 0.79 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.30 3h5d h GLU 120 CO -0.18 0.70 -0.06 0.78 -1.18 0.00 0.00 179.01 179.07 3h5d h GLY 121 N -0.36 0.52 1.03 1.92 0.00 -1.55 -0.95 103.07 103.68 3h5d h GLY 121 Ca 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 3h5d h GLY 121 CO 0.02 -0.19 0.20 -0.33 0.00 0.00 0.00 176.54 176.24 3h5d h MET 122 N 0.06 1.05 0.41 4.80 2.86 -0.15 -0.56 114.93 123.40 3h5d h MET 122 Ca 0.28 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3h5d h MET 122 Cb 0.45 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3h5d h MET 122 CO -0.53 0.91 -0.39 -0.92 1.06 0.00 0.00 176.91 177.05 3h5d h TYR 123 N 0.98 -1.08 -0.20 -0.22 3.20 -0.93 -0.18 116.97 118.53 3h5d h TYR 123 Ca 0.21 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.15 3h5d h TYR 123 Cb 0.31 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3h5d h TYR 123 CO 0.02 -0.53 0.19 1.96 -1.64 0.00 0.00 178.16 178.16 3h5d h GLN 124 N -0.80 0.00 0.34 1.82 4.20 -1.14 0.20 115.11 119.74 3h5d h GLN 124 Ca -0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3h5d h GLN 124 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3h5d h GLN 124 CO -0.04 0.00 -0.17 1.25 -0.67 0.00 0.00 178.83 179.21 3h5d h HIS 125 N 0.00 -0.43 -0.43 2.96 2.76 -0.76 -2.92 115.15 116.33 3h5d h HIS 125 Ca 0.09 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.13 3h5d h HIS 125 Cb 0.46 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 3h5d h HIS 125 CO 0.00 -0.09 -0.23 0.74 -1.30 0.00 0.00 177.93 177.05 3h5d h PHE 126 N -0.89 0.99 -0.77 5.26 0.04 -0.39 -2.29 116.94 118.90 3h5d h PHE 126 Ca -0.05 -0.23 0.04 0.00 2.80 0.00 0.00 57.97 60.53 3h5d h PHE 126 Cb 0.53 -0.23 -0.05 0.00 2.20 0.00 0.00 35.95 38.39 3h5d h PHE 126 CO 0.03 1.00 0.48 -0.22 -0.60 0.00 0.00 178.31 179.00 3h5d h LYS 127 N 0.75 0.88 0.34 1.51 3.64 -0.75 0.42 116.57 123.36 3h5d h LYS 127 Ca 0.10 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3h5d h LYS 127 Cb 0.77 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3h5d h LYS 127 CO 0.06 0.58 -0.16 0.00 -2.27 0.00 0.00 179.45 177.66 3h5d h ALA 128 N 1.35 -0.45 -0.83 5.00 0.00 -1.29 -1.12 119.26 121.91 3h5d h ALA 128 Ca 0.32 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.24 3h5d h ALA 128 Cb 0.08 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 3h5d h ALA 128 CO -0.14 -0.69 0.40 0.82 0.00 0.00 0.00 179.25 179.65 3h5d h ILE 129 N -0.58 0.70 0.00 0.00 2.04 -1.16 -1.54 117.51 116.96 3h5d h ILE 129 Ca -0.05 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3h5d h ILE 129 Cb 0.43 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3h5d h ILE 129 CO 0.08 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.33 3h5d n ALA 130 N -2.45 2.35 0.04 1.87 0.00 0.12 -2.54 120.51 119.90 3h5d n ALA 130 Ca 0.17 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.57 3h5d n ALA 130 Cb 0.44 -1.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.34 3h5d n ALA 130 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3h5d n ASP 131 N -1.43 0.49 0.00 0.00 8.00 -0.44 -4.49 116.55 118.69 3h5d n ASP 131 Ca 0.09 0.20 0.12 0.00 0.71 0.00 0.00 54.79 55.91 3h5d n ASP 131 Cb 0.30 0.97 0.54 0.00 -0.02 0.00 0.00 41.12 42.91 3h5d n ASP 131 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h5d n ALA 132 N -2.29 2.15 -3.36 2.24 0.00 -0.72 -4.94 120.51 113.58 3h5d n ALA 132 Ca -0.06 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 3h5d n ALA 132 Cb 0.66 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 3h5d n ALA 132 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h5d s SER 133 N -2.98 -0.30 0.27 0.00 0.15 -1.26 -4.68 113.70 104.90 3h5d s SER 133 Ca 0.13 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.36 3h5d s SER 133 Cb 0.16 0.59 0.36 0.00 -1.71 0.00 0.00 66.02 65.43 3h5d s SER 133 CO 0.45 -1.06 1.71 0.44 1.20 0.00 0.00 173.24 175.98 3h5d h ASP 134 N 2.16 0.57 -2.29 5.45 3.32 -1.92 -3.44 116.42 120.26 3h5d h ASP 134 Ca -0.29 -0.19 -0.54 0.00 0.02 0.00 0.00 57.03 56.03 3h5d h ASP 134 Cb 1.27 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 40.68 3h5d h ASP 134 CO 0.36 0.79 1.29 -0.22 -1.72 0.00 0.00 179.24 179.74 3h5d s LEU 135 N -8.77 4.21 0.54 1.55 2.96 -1.26 -4.95 118.68 112.96 3h5d s LEU 135 Ca -0.08 2.48 -0.21 0.00 -0.22 0.00 0.00 54.13 56.10 3h5d s LEU 135 Cb 0.14 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.25 3h5d s LEU 135 CO 0.80 -1.26 1.29 -2.84 -1.32 0.00 0.00 176.35 173.02 3h5d s PRO 136 N 4.88 3.19 -0.08 0.98 0.02 -1.26 -4.81 135.00 137.93 3h5d s PRO 136 Ca 0.91 2.06 -0.03 0.00 0.02 0.00 0.00 61.00 63.96 3h5d s PRO 136 Cb -0.40 -2.20 -0.04 0.00 0.02 0.00 0.00 34.50 31.88 3h5d s PRO 136 CO 0.40 -1.09 0.05 0.42 -0.33 0.00 0.00 177.00 176.45 3h5d s ILE 137 N -1.41 4.70 -0.04 2.83 -1.09 0.31 -1.18 121.20 125.31 3h5d s ILE 137 Ca 0.72 -0.17 0.06 0.00 -2.23 0.00 0.00 60.65 59.02 3h5d s ILE 137 Cb -0.36 -3.03 -0.02 0.00 -1.58 0.00 0.00 42.46 37.47 3h5d s ILE 137 CO 0.42 0.55 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.84 3h5d s ILE 138 N -0.99 2.46 -0.08 2.92 1.01 0.93 0.40 121.20 127.85 3h5d s ILE 138 Ca 0.16 -0.94 -0.17 0.00 0.00 0.00 0.00 60.65 59.70 3h5d s ILE 138 Cb -0.12 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 3h5d s ILE 138 CO 0.05 0.58 0.45 -0.63 0.00 0.00 0.00 174.94 175.39 3h5d s ILE 139 N -0.50 5.13 -0.38 2.92 1.01 -0.29 -0.75 121.20 128.35 3h5d s ILE 139 Ca 0.06 0.90 -0.11 0.00 0.00 0.00 0.00 60.65 61.50 3h5d s ILE 139 Cb -0.11 -3.78 0.03 0.00 0.01 0.00 0.00 42.46 38.61 3h5d s ILE 139 CO 0.01 0.41 0.21 -0.47 0.00 0.00 0.00 174.94 175.10 3h5d s TYR 140 N 0.07 3.25 -0.48 3.97 5.04 -0.01 0.20 117.35 129.40 3h5d s TYR 140 Ca 0.25 -1.00 -0.05 0.00 -2.44 0.00 0.00 57.07 53.82 3h5d s TYR 140 Cb -0.16 -2.46 0.12 0.00 0.35 0.00 0.00 41.96 39.82 3h5d s TYR 140 CO 0.11 -0.66 0.31 1.21 -1.34 0.00 0.00 175.55 175.17 3h5d s ASN 141 N 1.57 5.46 -0.39 4.32 2.47 -0.66 -1.86 114.94 125.85 3h5d s ASN 141 Ca 0.02 -2.14 0.02 0.00 0.42 0.00 0.00 52.86 51.18 3h5d s ASN 141 Cb -0.19 -1.91 0.15 0.00 -1.45 0.00 0.00 41.25 37.85 3h5d s ASN 141 CO 0.06 -0.57 0.27 -0.51 -3.72 0.00 0.00 177.10 172.63 3h5d s ILE 142 N 1.01 0.46 0.65 -5.21 2.07 -1.26 -1.51 121.20 117.40 3h5d s ILE 142 Ca 0.09 -2.22 0.36 0.00 -1.41 0.00 0.00 60.65 57.47 3h5d s ILE 142 Cb -0.23 -1.33 0.38 0.00 0.13 0.00 0.00 42.46 41.41 3h5d s ILE 142 CO -0.03 -1.06 2.17 -0.65 -1.91 0.00 0.00 174.94 173.46 3h5d h PRO 143 N 6.46 0.00 0.00 3.50 0.11 -1.77 -1.32 132.00 138.98 3h5d h PRO 143 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3h5d h PRO 143 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3h5d h PRO 143 CO 0.34 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.91 3h5d h GLY 144 N 0.00 0.00 0.00 -0.55 0.00 -1.86 0.56 103.07 101.22 3h5d h GLY 144 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3h5d h GLY 144 CO -0.00 0.00 -1.15 0.54 0.00 0.00 0.00 176.54 175.93 3h5d n ARG 145 N -2.67 0.69 -0.00 4.80 1.74 -0.56 -4.77 116.66 115.89 3h5d n ARG 145 Ca 0.01 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3h5d n ARG 145 Cb 0.27 -1.09 -0.01 0.00 -1.02 0.00 0.00 32.46 30.61 3h5d n ARG 145 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3h5d n VAL 146 N -1.64 0.00 0.00 1.55 0.31 -0.85 -4.89 118.33 112.82 3h5d n VAL 146 Ca -0.01 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3h5d n VAL 146 Cb 0.14 0.67 0.00 0.00 -0.91 0.00 0.00 33.84 33.74 3h5d n VAL 146 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3h5d n VAL 147 N -1.35 0.00 -1.34 2.52 0.31 0.19 -4.40 118.33 114.27 3h5d n VAL 147 Ca -0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 3h5d n VAL 147 Cb 0.02 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.05 3h5d n VAL 147 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3h5d s VAL 148 N 0.00 2.21 -0.05 2.52 -7.23 -1.26 -4.64 120.40 111.94 3h5d s VAL 148 Ca 0.00 0.10 0.05 0.00 -1.81 0.00 0.00 61.98 60.32 3h5d s VAL 148 Cb 0.00 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.29 3h5d s VAL 148 CO 0.00 -0.06 -0.21 -1.61 -0.31 0.00 0.00 175.10 172.91 3h5d s GLU 149 N -3.97 2.14 -0.10 4.82 2.02 -1.26 -4.06 118.70 118.29 3h5d s GLU 149 Ca 0.74 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 54.69 3h5d s GLU 149 Cb -0.29 -1.84 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 3h5d s GLU 149 CO 0.47 0.31 1.18 -1.17 0.02 0.00 0.00 175.26 176.07 3h5d s LEU 150 N -0.06 4.24 0.55 1.80 2.96 -1.26 -4.93 118.68 121.98 3h5d s LEU 150 Ca -0.04 1.72 -0.18 0.00 -0.22 0.00 0.00 54.13 55.42 3h5d s LEU 150 Cb -0.13 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 3h5d s LEU 150 CO 0.03 -0.62 1.06 0.42 -1.32 0.00 0.00 176.35 175.92 3h5d s THR 151 N 2.60 3.73 0.30 3.68 -4.23 -1.26 -4.78 115.64 115.68 3h5d s THR 151 Ca 0.54 0.93 0.05 0.00 -1.18 0.00 0.00 61.69 62.02 3h5d s THR 151 Cb -0.22 -3.39 0.30 0.00 1.34 0.00 0.00 72.50 70.52 3h5d s THR 151 CO 0.18 -0.38 1.79 -0.65 -0.54 0.00 0.00 174.62 175.03 3h5d h PRO 152 N 0.88 0.80 -0.24 3.99 0.11 -1.96 0.37 132.00 135.95 3h5d h PRO 152 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3h5d h PRO 152 Cb 1.22 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3h5d h PRO 152 CO 0.58 0.53 0.12 1.49 -0.21 0.00 0.00 178.00 180.51 3h5d h GLU 153 N 0.82 0.34 -0.35 1.05 4.81 -1.98 0.99 114.58 120.26 3h5d h GLU 153 Ca 0.56 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.62 3h5d h GLU 153 Cb 0.80 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3h5d h GLU 153 CO -0.35 0.34 -0.27 1.15 -0.73 0.00 0.00 179.01 179.15 3h5d h THR 154 N 0.26 1.28 -0.78 0.32 2.02 -1.76 -2.52 112.91 111.72 3h5d h THR 154 Ca 0.08 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 3h5d h THR 154 Cb 0.10 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 3h5d h THR 154 CO -0.01 0.46 0.45 -0.03 0.37 0.00 0.00 175.52 176.76 3h5d h MET 155 N 0.62 1.08 0.00 6.66 1.85 -0.11 -2.79 114.93 122.24 3h5d h MET 155 Ca 0.08 -0.11 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 3h5d h MET 155 Cb 0.78 -0.22 0.00 0.00 0.43 0.00 0.00 31.60 32.59 3h5d h MET 155 CO 0.06 0.77 -0.02 1.28 -0.40 0.00 0.00 176.91 178.61 3h5d n LEU 156 N -4.36 0.55 -0.04 3.39 4.77 0.33 -1.22 117.00 120.41 3h5d n LEU 156 Ca 0.08 0.54 -0.14 0.00 -0.03 0.00 0.00 56.01 56.46 3h5d n LEU 156 Cb 0.08 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.69 3h5d n LEU 156 CO 0.38 -0.12 0.51 0.03 -1.33 0.00 0.00 177.39 176.86 3h5d h ARG 157 N 0.00 0.05 -0.52 3.23 3.08 -1.21 -3.27 114.38 115.73 3h5d h ARG 157 Ca 0.00 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3h5d h ARG 157 Cb 0.66 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 3h5d h ARG 157 CO 0.00 0.74 0.01 -0.07 -1.07 0.00 0.00 179.97 179.58 3h5d h LEU 158 N -0.63 0.83 -2.33 3.04 3.38 -1.38 -2.60 115.31 115.61 3h5d h LEU 158 Ca -0.00 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.79 3h5d h LEU 158 Cb 0.75 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3h5d h LEU 158 CO 0.01 0.89 0.13 0.00 0.09 0.00 0.00 178.44 179.56 3h5d h ALA 159 N 1.20 1.67 0.00 1.53 0.00 -1.26 0.26 119.26 122.66 3h5d h ALA 159 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3h5d h ALA 159 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3h5d h ALA 159 CO 0.02 -0.19 0.00 -0.25 0.00 0.00 0.00 179.25 178.83 3h5d n ASP 160 N -3.76 0.00 -4.71 0.00 8.00 -0.98 -4.75 116.55 110.35 3h5d n ASP 160 Ca -0.00 -0.56 -0.40 0.00 0.71 0.00 0.00 54.79 54.54 3h5d n ASP 160 Cb 0.24 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 3h5d n ASP 160 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3h5d s HIS 161 N -2.14 3.59 0.21 1.24 2.46 0.92 -4.96 115.29 116.60 3h5d s HIS 161 Ca 0.32 1.32 -0.13 0.00 0.47 0.00 0.00 55.06 57.03 3h5d s HIS 161 Cb 0.16 -2.86 0.23 0.00 -0.13 0.00 0.00 32.58 29.98 3h5d s HIS 161 CO 0.28 0.06 1.63 -1.35 -2.47 0.00 0.00 174.74 172.90 3h5d h PRO 162 N 6.78 0.01 0.00 2.88 0.11 -1.87 -2.10 132.00 137.82 3h5d h PRO 162 Ca -0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3h5d h PRO 162 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3h5d h PRO 162 CO 0.75 0.01 -0.08 -1.71 -0.21 0.00 0.00 178.00 176.76 3h5d n ASN 163 N -5.41 0.41 -4.53 -2.05 5.15 -1.26 -4.66 115.26 102.91 3h5d n ASN 163 Ca 0.07 0.45 -0.42 0.00 -0.60 0.00 0.00 54.58 54.08 3h5d n ASN 163 Cb 0.32 -0.52 -0.07 0.00 -0.53 0.00 0.00 39.78 38.98 3h5d n ASN 163 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h5d s ILE 164 N -3.05 4.94 -0.77 -1.44 1.01 -0.79 0.11 121.20 121.22 3h5d s ILE 164 Ca 0.12 0.17 0.06 0.00 0.00 0.00 0.00 60.65 61.00 3h5d s ILE 164 Cb 0.16 -4.08 0.06 0.00 0.01 0.00 0.00 42.46 38.61 3h5d s ILE 164 CO 0.58 -0.41 0.74 2.30 0.00 0.00 0.00 174.94 178.16 3h5d n ILE 165 N 5.61 0.10 0.00 2.92 -5.35 0.16 -4.60 119.36 118.20 3h5d n ILE 165 Ca -0.04 -0.55 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 3h5d n ILE 165 Cb 0.48 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 3h5d n ILE 165 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h5d n GLY 166 N 0.33 -0.85 3.10 3.28 0.00 -1.22 -0.40 105.19 109.43 3h5d n GLY 166 Ca 0.04 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 3h5d n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h5d s VAL 167 N -2.00 -0.01 -0.72 1.61 0.11 -0.69 -1.13 120.40 117.58 3h5d s VAL 167 Ca 0.00 0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 58.88 3h5d s VAL 167 Cb 0.00 -0.33 0.11 0.00 -1.53 0.00 0.00 36.38 34.64 3h5d s VAL 167 CO 0.00 0.01 0.88 -0.75 -3.33 0.00 0.00 175.10 171.90 3h5d s LYS 168 N 0.26 3.25 -0.31 1.54 2.20 0.54 -1.37 119.74 125.85 3h5d s LYS 168 Ca -0.01 -1.44 -0.18 0.00 -0.36 0.00 0.00 55.97 53.98 3h5d s LYS 168 Cb -0.03 -4.44 -0.02 0.00 -1.51 0.00 0.00 37.83 31.84 3h5d s LYS 168 CO -0.01 -1.64 0.50 -2.00 -0.36 0.00 0.00 175.35 171.85 3h5d s GLU 169 N 2.75 3.82 -0.45 4.03 2.56 0.86 -1.65 118.70 130.62 3h5d s GLU 169 Ca 0.20 0.04 0.09 0.00 0.00 0.00 0.00 54.97 55.30 3h5d s GLU 169 Cb -0.16 -3.74 0.38 0.00 2.00 0.00 0.00 34.13 32.61 3h5d s GLU 169 CO 0.02 -0.51 0.91 0.00 -0.56 0.00 0.00 175.26 175.12 3h5d n THR 171 N -0.10 0.00 -4.05 0.00 -2.24 -1.26 -4.38 114.28 102.24 3h5d n THR 171 Ca 0.27 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.95 3h5d n THR 171 Cb 0.59 -0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 68.65 3h5d n THR 171 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h5d s SER 172 N 0.75 0.66 0.58 3.42 1.04 -1.26 -5.03 113.70 113.85 3h5d s SER 172 Ca 0.00 -0.65 0.34 0.00 0.48 0.00 0.00 55.95 56.12 3h5d s SER 172 Cb 0.00 0.08 1.76 0.00 0.10 0.00 0.00 66.02 67.96 3h5d s SER 172 CO 0.00 -0.32 2.16 -0.07 0.98 0.00 0.00 173.24 175.99 3h5d h LEU 173 N 4.16 0.00 -0.57 2.42 3.38 -1.99 0.43 115.31 123.14 3h5d h LEU 173 Ca -0.34 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 3h5d h LEU 173 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3h5d h LEU 173 CO 0.47 0.05 -0.50 0.00 0.09 0.00 0.00 178.44 178.56 3h5d h ALA 174 N 1.95 0.75 0.04 1.53 0.00 -1.99 -0.38 119.26 121.16 3h5d h ALA 174 Ca -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3h5d h ALA 174 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3h5d h ALA 174 CO 0.01 0.67 -0.02 -0.91 0.00 0.00 0.00 179.25 179.00 3h5d h ASN 175 N 0.44 -0.05 -0.67 0.00 2.35 -1.74 -3.03 115.58 112.89 3h5d h ASN 175 Ca 0.02 -0.51 0.09 0.00 -0.55 0.00 0.00 56.30 55.35 3h5d h ASN 175 Cb 1.02 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.36 3h5d h ASN 175 CO 0.09 0.51 0.44 -0.03 -1.65 0.00 0.00 177.43 176.79 3h5d h MET 176 N -0.62 0.54 -0.41 0.81 4.05 -0.96 0.18 114.93 118.52 3h5d h MET 176 Ca -0.01 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 3h5d h MET 176 Cb 0.56 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 3h5d h MET 176 CO 0.01 0.36 0.24 0.00 0.23 0.00 0.00 176.91 177.75 3h5d h ALA 177 N 1.66 0.51 -0.36 0.39 0.00 -1.11 -1.53 119.26 118.82 3h5d h ALA 177 Ca 0.30 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 3h5d h ALA 177 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3h5d h ALA 177 CO -0.10 -0.08 -0.39 -0.92 0.00 0.00 0.00 179.25 177.76 3h5d h TYR 178 N 0.50 1.04 -0.04 0.00 3.20 -0.63 -1.80 116.97 119.24 3h5d h TYR 178 Ca 0.16 -0.31 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 3h5d h TYR 178 Cb -0.00 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 3h5d h TYR 178 CO -0.07 1.12 0.02 -0.07 -1.64 0.00 0.00 178.16 177.51 3h5d h LEU 179 N 0.71 0.05 -2.00 2.82 4.07 -0.84 -1.87 115.31 118.25 3h5d h LEU 179 Ca 0.06 -0.15 0.16 0.00 0.08 0.00 0.00 57.88 58.03 3h5d h LEU 179 Cb 0.97 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.68 3h5d h LEU 179 CO 0.09 0.18 0.40 0.40 -1.08 0.00 0.00 178.44 178.44 3h5d h ILE 180 N -0.09 0.72 0.00 1.22 2.04 -1.05 -0.54 117.51 119.80 3h5d h ILE 180 Ca 0.01 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.64 3h5d h ILE 180 Cb 0.15 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3h5d h ILE 180 CO -0.00 0.00 -1.22 -0.33 0.00 0.00 0.00 178.15 176.60 3h5d h GLU 181 N 0.00 0.00 0.00 2.37 4.39 -0.91 -3.38 114.58 117.05 3h5d h GLU 181 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3h5d h GLU 181 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3h5d h GLU 181 CO -0.00 0.80 -0.05 0.72 -1.16 0.00 0.00 179.01 179.31 3h5d n HIS 182 N -3.23 0.00 -1.75 4.33 8.25 -0.74 -5.06 115.22 117.02 3h5d n HIS 182 Ca -0.06 -0.69 -0.36 0.00 -0.26 0.00 0.00 57.72 56.36 3h5d n HIS 182 Cb 0.97 -0.10 0.06 0.00 1.12 0.00 0.00 29.99 32.04 3h5d n HIS 182 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 3h5d s LYS 183 N -1.85 2.59 0.00 -0.41 -2.85 -0.27 -5.03 119.74 111.92 3h5d s LYS 183 Ca 0.17 1.88 0.00 0.00 -1.00 0.00 0.00 55.97 57.02 3h5d s LYS 183 Cb 0.15 -1.87 0.00 0.00 -2.06 0.00 0.00 37.83 34.05 3h5d s LYS 183 CO 0.02 -1.52 0.00 -2.30 0.10 0.00 0.00 175.35 171.65 3h5d n PRO 184 N -2.04 2.35 -0.10 1.78 -0.02 -1.26 -5.05 135.00 130.66 3h5d n PRO 184 Ca 0.14 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.50 3h5d n PRO 184 Cb 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.93 3h5d n PRO 184 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3h5d n GLU 185 N 0.00 0.53 -2.36 -0.52 4.71 -1.26 -4.56 120.64 117.18 3h5d n GLU 185 Ca 0.00 0.31 -0.43 0.00 -0.01 0.00 0.00 57.16 57.03 3h5d n GLU 185 Cb 0.00 -1.52 0.00 0.00 -1.01 0.00 0.00 31.44 28.92 3h5d n GLU 185 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3h5d n GLU 186 N -4.46 3.55 -3.41 3.49 -0.58 -1.26 -4.86 120.64 113.11 3h5d n GLU 186 Ca -0.21 -3.49 -0.08 0.00 -0.42 0.00 0.00 57.16 52.96 3h5d n GLU 186 Cb 0.54 -2.96 -0.08 0.00 -0.57 0.00 0.00 31.44 28.36 3h5d n GLU 186 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3h5d s PHE 187 N 0.71 -0.84 0.21 -0.32 5.36 -1.25 -4.35 117.98 117.50 3h5d s PHE 187 Ca 0.40 1.01 -0.11 0.00 -0.96 0.00 0.00 56.93 57.27 3h5d s PHE 187 Cb 0.09 0.10 -0.07 0.00 -0.34 0.00 0.00 43.02 42.79 3h5d s PHE 187 CO -0.00 -0.67 0.56 -0.51 -1.46 0.00 0.00 175.22 173.14 3h5d s LEU 188 N 2.57 4.20 -0.19 6.12 1.02 0.47 -4.88 118.68 127.98 3h5d s LEU 188 Ca 0.10 0.99 0.01 0.00 0.02 0.00 0.00 54.13 55.24 3h5d s LEU 188 Cb -0.15 -3.60 0.04 0.00 0.02 0.00 0.00 46.19 42.50 3h5d s LEU 188 CO -0.15 -0.04 -0.10 -0.63 0.02 0.00 0.00 176.35 175.45 3h5d s ILE 189 N -1.74 1.61 0.09 -0.59 1.09 -1.26 -1.70 121.20 118.70 3h5d s ILE 189 Ca 0.45 -0.97 0.10 0.00 -1.10 0.00 0.00 60.65 59.13 3h5d s ILE 189 Cb -0.12 -1.68 -0.04 0.00 -1.06 0.00 0.00 42.46 39.56 3h5d s ILE 189 CO 0.20 0.18 -0.24 -0.31 -0.10 0.00 0.00 174.94 174.67 3h5d s TYR 190 N 1.41 2.38 0.17 3.97 2.02 -0.47 -1.35 117.35 125.49 3h5d s TYR 190 Ca -0.01 -0.36 -0.19 0.00 -0.37 0.00 0.00 57.07 56.14 3h5d s TYR 190 Cb -0.16 -1.34 -0.08 0.00 -0.40 0.00 0.00 41.96 39.98 3h5d s TYR 190 CO -0.08 0.27 0.67 0.99 -1.57 0.00 0.00 175.55 175.82 3h5d s THR 191 N -0.97 4.62 -0.33 -0.71 2.01 -0.89 -0.10 115.64 119.28 3h5d s THR 191 Ca 0.14 1.25 0.08 0.00 0.31 0.00 0.00 61.69 63.47 3h5d s THR 191 Cb -0.10 -3.88 0.58 0.00 0.01 0.00 0.00 72.50 69.11 3h5d s THR 191 CO 0.05 0.33 1.63 0.61 -0.69 0.00 0.00 174.62 176.55 3h5d n GLY 192 N 1.06 4.55 2.88 4.40 0.00 -1.18 -1.05 105.19 115.86 3h5d n GLY 192 Ca -0.05 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 3h5d n GLY 192 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h5d s GLU 193 N -3.19 1.18 0.35 1.61 0.41 -1.26 -4.96 118.70 112.85 3h5d s GLU 193 Ca 0.49 -1.37 0.03 0.00 -0.41 0.00 0.00 54.97 53.71 3h5d s GLU 193 Cb 0.42 -2.58 0.65 0.00 -1.78 0.00 0.00 34.13 30.84 3h5d s GLU 193 CO 0.05 -0.89 1.99 -0.44 -0.49 0.00 0.00 175.26 175.48 3h5d h ASP 194 N 7.88 0.66 0.01 -0.19 3.32 -1.91 -2.55 116.42 123.65 3h5d h ASP 194 Ca -0.11 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3h5d h ASP 194 Cb 1.03 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3h5d h ASP 194 CO 0.48 0.52 0.00 0.61 -1.72 0.00 0.00 179.24 179.13 3h5d n GLY 195 N -1.33 -0.96 0.00 2.75 0.00 -1.26 -3.01 105.19 101.39 3h5d n GLY 195 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3h5d n GLY 195 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h5d n ASP 196 N -1.01 1.13 -0.02 1.61 8.00 -0.99 -4.83 116.55 120.44 3h5d n ASP 196 Ca 0.23 -1.21 -0.11 0.00 0.71 0.00 0.00 54.79 54.41 3h5d n ASP 196 Cb 0.11 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.24 3h5d n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h5d h ALA 197 N 0.00 0.64 -0.82 2.24 0.00 -1.40 -1.37 119.26 118.56 3h5d h ALA 197 Ca 0.00 -0.51 0.11 0.00 0.00 0.00 0.00 54.91 54.51 3h5d h ALA 197 Cb 0.15 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 3h5d h ALA 197 CO 0.00 0.69 0.45 0.35 0.00 0.00 0.00 179.25 180.73 3h5d h PHE 198 N 0.50 0.80 0.01 0.00 3.57 -1.88 -0.89 116.94 119.05 3h5d h PHE 198 Ca 0.01 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 3h5d h PHE 198 Cb 1.10 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 39.61 3h5d h PHE 198 CO 0.05 0.29 -0.53 0.45 -2.23 0.00 0.00 178.31 176.35 3h5d h HIS 199 N 0.73 0.51 -0.08 0.41 3.86 -1.86 -3.00 115.15 115.72 3h5d h HIS 199 Ca 0.41 -0.29 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 3h5d h HIS 199 Cb 0.43 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 3h5d h HIS 199 CO -0.07 1.11 0.07 0.00 0.86 0.00 0.00 177.93 179.89 3h5d h ALA 200 N 0.28 1.93 0.35 2.45 0.00 -1.17 -1.81 119.26 121.29 3h5d h ALA 200 Ca -0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3h5d h ALA 200 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3h5d h ALA 200 CO 0.10 -0.11 -0.17 0.52 0.00 0.00 0.00 179.25 179.59 3h5d h MET 201 N 0.00 -0.45 0.00 0.00 2.07 -1.16 -1.18 114.93 114.21 3h5d h MET 201 Ca 0.04 0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 3h5d h MET 201 Cb 0.17 0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.01 3h5d h MET 201 CO -0.00 -0.30 0.00 0.27 1.07 0.00 0.00 176.91 177.95 3h5d n ASN 202 N -4.48 0.00 0.00 1.22 2.04 -1.14 -0.45 115.26 112.46 3h5d n ASN 202 Ca -0.06 -0.75 0.03 0.00 -0.44 0.00 0.00 54.58 53.36 3h5d n ASN 202 Cb 0.19 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.32 3h5d n ASN 202 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 3h5d n LEU 203 N -0.73 0.44 0.00 -4.53 7.94 -0.69 -5.01 117.00 114.42 3h5d n LEU 203 Ca 0.06 0.19 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 3h5d n LEU 203 Cb 0.03 0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.09 3h5d n LEU 203 CO 0.04 0.13 0.00 0.61 -1.11 0.00 0.00 177.39 177.06 3h5d n GLY 204 N 1.40 1.79 3.88 -3.96 0.00 0.41 -4.98 105.19 103.73 3h5d n GLY 204 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 3h5d n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5d s ALA 205 N -1.79 2.48 -0.22 4.61 0.00 -0.47 -4.96 121.76 121.41 3h5d s ALA 205 Ca 0.00 -0.61 0.20 0.00 0.00 0.00 0.00 51.96 51.55 3h5d s ALA 205 Cb 0.00 -2.98 -0.00 0.00 0.00 0.00 0.00 23.12 20.14 3h5d s ALA 205 CO 0.00 -1.78 1.07 -0.44 0.00 0.00 0.00 175.76 174.60 3h5d h ASP 206 N -1.13 0.00 0.00 0.00 3.32 -1.54 -3.46 116.42 113.62 3h5d h ASP 206 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3h5d h ASP 206 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3h5d h ASP 206 CO 0.65 0.20 0.00 0.61 -1.72 0.00 0.00 179.24 178.98 3h5d n GLY 207 N 1.24 -0.52 3.11 2.75 0.00 -1.25 -4.43 105.19 106.09 3h5d n GLY 207 Ca -0.02 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 3h5d n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h5d s VAL 208 N -4.00 0.91 -0.44 1.61 0.11 0.36 -2.09 120.40 116.86 3h5d s VAL 208 Ca 0.00 -0.97 -0.09 0.00 -2.93 0.00 0.00 61.98 57.99 3h5d s VAL 208 Cb 0.00 -0.85 0.10 0.00 -1.53 0.00 0.00 36.38 34.09 3h5d s VAL 208 CO 0.00 -0.10 0.30 -0.63 -3.33 0.00 0.00 175.10 171.34 3h5d s ILE 209 N -0.94 4.23 0.24 7.04 1.01 -0.21 -1.49 121.20 131.07 3h5d s ILE 209 Ca -0.01 -1.59 0.06 0.00 0.00 0.00 0.00 60.65 59.11 3h5d s ILE 209 Cb -0.08 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 3h5d s ILE 209 CO 0.01 -0.64 0.28 -0.55 0.00 0.00 0.00 174.94 174.04 3h5d s SER 210 N 2.40 5.93 -0.19 3.58 0.15 0.11 -4.53 113.70 121.14 3h5d s SER 210 Ca 0.04 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.63 3h5d s SER 210 Cb -0.25 -1.64 -0.13 0.00 -1.71 0.00 0.00 66.02 62.30 3h5d s SER 210 CO 0.01 -0.05 -0.16 0.52 1.20 0.00 0.00 173.24 174.76 3h5d n VAL 211 N -1.25 1.09 0.49 4.45 0.31 -1.26 -1.03 118.33 121.13 3h5d n VAL 211 Ca -0.08 -0.42 0.12 0.00 -0.01 0.00 0.00 64.34 63.94 3h5d n VAL 211 Cb 0.57 -1.16 0.46 0.00 -0.91 0.00 0.00 33.84 32.80 3h5d n VAL 211 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h5d n ALA 212 N -3.04 1.83 0.30 3.52 0.00 -1.26 -2.23 120.51 119.62 3h5d n ALA 212 Ca -0.33 0.04 0.19 0.00 0.00 0.00 0.00 53.44 53.33 3h5d n ALA 212 Cb 0.86 -1.39 0.93 0.00 0.00 0.00 0.00 19.45 19.86 3h5d n ALA 212 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h5d h SER 213 N 0.00 0.00 -0.38 0.00 4.64 -1.89 0.53 113.55 116.45 3h5d h SER 213 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 3h5d h SER 213 Cb 0.44 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3h5d h SER 213 CO 0.00 0.00 0.26 0.45 -0.87 0.00 0.00 176.83 176.67 3h5d h HIS 214 N 0.00 0.23 0.00 4.77 3.86 -1.78 -3.13 115.15 119.10 3h5d h HIS 214 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3h5d h HIS 214 Cb 0.13 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.53 3h5d h HIS 214 CO 0.00 0.13 -0.33 0.25 0.86 0.00 0.00 177.93 178.83 3h5d n THR 215 N -4.47 0.00 -0.82 2.45 -2.24 -0.70 -4.89 114.28 103.61 3h5d n THR 215 Ca 0.05 -0.01 0.01 0.00 -2.27 0.00 0.00 64.05 61.83 3h5d n THR 215 Cb 0.29 0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.74 3h5d n THR 215 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3h5d n ASN 216 N -0.52 0.75 0.00 3.42 3.02 0.18 -4.86 115.26 117.24 3h5d n ASN 216 Ca 0.00 -1.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 3h5d n ASN 216 Cb 0.00 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 3h5d n ASN 216 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h5d n GLY 217 N -0.24 -0.02 0.05 7.41 0.00 -1.18 -2.81 105.19 108.40 3h5d n GLY 217 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 3h5d n GLY 217 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h5d h ASP 218 N 0.00 0.00 -0.29 1.61 5.19 -1.89 -3.00 116.42 118.04 3h5d h ASP 218 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 3h5d h ASP 218 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 3h5d h ASP 218 CO 0.00 0.53 0.13 1.05 -3.12 0.00 0.00 179.24 177.83 3h5d h GLU 219 N -0.94 0.48 0.46 3.56 4.11 -1.93 -1.55 114.58 118.77 3h5d h GLU 219 Ca 0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 3h5d h GLU 219 Cb 0.12 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3h5d h GLU 219 CO 0.00 0.40 -0.35 0.52 0.07 0.00 0.00 179.01 179.65 3h5d h MET 220 N 0.48 -0.75 -0.90 1.06 2.86 -1.68 0.24 114.93 116.25 3h5d h MET 220 Ca 0.12 0.05 0.17 0.00 -2.06 0.00 0.00 59.70 57.98 3h5d h MET 220 Cb 0.10 0.17 -0.07 0.00 0.06 0.00 0.00 31.60 31.86 3h5d h MET 220 CO -0.01 -0.50 0.58 1.25 1.06 0.00 0.00 176.91 179.29 3h5d h HIS 221 N -0.78 0.69 -0.54 -0.22 -0.00 -1.37 0.33 115.15 113.27 3h5d h HIS 221 Ca -0.06 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.25 3h5d h HIS 221 Cb 0.64 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 3h5d h HIS 221 CO -0.11 0.21 0.03 1.49 -0.00 0.00 0.00 177.93 179.55 3h5d h GLU 222 N 0.55 0.90 -0.18 5.26 4.81 -0.89 -0.10 114.58 124.92 3h5d h GLU 222 Ca 0.46 -0.24 -0.20 0.00 -0.13 0.00 0.00 59.36 59.25 3h5d h GLU 222 Cb 0.95 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.23 3h5d h GLU 222 CO -0.20 0.88 -0.65 1.98 -0.73 0.00 0.00 179.01 180.28 3h5d h MET 223 N 0.84 0.76 -0.60 1.92 4.05 0.29 -2.24 114.93 119.95 3h5d h MET 223 Ca 0.16 -0.58 -0.08 0.00 -0.28 0.00 0.00 59.70 58.92 3h5d h MET 223 Cb 0.46 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 3h5d h MET 223 CO 0.02 1.19 0.04 0.74 0.23 0.00 0.00 176.91 179.13 3h5d h PHE 224 N 0.49 1.10 0.32 1.39 -1.00 -0.52 -2.31 116.94 116.42 3h5d h PHE 224 Ca -0.03 -0.17 -0.00 0.00 2.81 0.00 0.00 57.97 60.58 3h5d h PHE 224 Cb 1.27 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 40.50 3h5d h PHE 224 CO 0.09 0.95 -0.50 1.15 -1.61 0.00 0.00 178.31 178.39 3h5d h THR 225 N 0.95 0.00 -0.81 -1.55 2.02 -1.00 -1.66 112.91 110.86 3h5d h THR 225 Ca 0.18 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.56 3h5d h THR 225 Cb 0.49 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.77 3h5d h THR 225 CO 0.02 0.00 0.17 0.00 0.37 0.00 0.00 175.52 176.08 3h5d h ALA 226 N -0.77 1.07 -0.27 6.16 0.00 -1.23 0.16 119.26 124.38 3h5d h ALA 226 Ca -0.04 0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3h5d h ALA 226 Cb 0.80 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3h5d h ALA 226 CO -0.16 -0.41 -0.14 0.82 0.00 0.00 0.00 179.25 179.36 3h5d h ILE 227 N 0.21 1.23 -0.03 0.00 2.04 -1.10 1.34 117.51 121.20 3h5d h ILE 227 Ca 0.48 -1.03 -0.19 0.00 1.00 0.00 0.00 64.86 65.12 3h5d h ILE 227 Cb 0.90 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3h5d h ILE 227 CO -0.61 0.33 -0.81 0.00 0.00 0.00 0.00 178.15 177.06 3h5d h ALA 228 N 1.43 0.56 -0.40 1.87 0.00 0.20 -2.22 119.26 120.69 3h5d h ALA 228 Ca 0.08 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3h5d h ALA 228 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3h5d h ALA 228 CO 0.03 0.83 0.00 0.39 0.00 0.00 0.00 179.25 180.50 3h5d n GLU 229 N -3.75 3.40 -3.93 0.00 1.02 -0.24 -4.92 120.64 112.23 3h5d n GLU 229 Ca -0.04 -2.06 -0.30 0.00 -0.02 0.00 0.00 57.16 54.74 3h5d n GLU 229 Cb 0.76 -1.93 -0.01 0.00 -0.02 0.00 0.00 31.44 30.24 3h5d n GLU 229 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3h5d n SER 230 N 0.49 -1.84 -3.87 1.62 7.64 -0.67 -4.86 113.62 112.12 3h5d n SER 230 Ca 0.18 -0.92 -0.41 0.00 1.01 0.00 0.00 58.87 58.73 3h5d n SER 230 Cb 0.82 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 3h5d n SER 230 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3h5d n ASP 231 N -1.42 6.40 0.26 6.43 2.03 0.45 -4.89 116.55 125.81 3h5d n ASP 231 Ca -0.12 -3.48 0.09 0.00 0.52 0.00 0.00 54.79 51.80 3h5d n ASP 231 Cb 0.42 -1.20 0.66 0.00 -0.72 0.00 0.00 41.12 40.28 3h5d n ASP 231 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3h5d h MET 232 N 5.07 0.00 -0.51 -0.67 2.86 -1.89 -2.15 114.93 117.63 3h5d h MET 232 Ca 0.26 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 3h5d h MET 232 Cb 0.56 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3h5d h MET 232 CO 1.27 0.07 0.23 0.87 1.06 0.00 0.00 176.91 180.40 3h5d h LYS 233 N 0.00 0.75 0.37 1.72 1.57 -1.94 -1.89 116.57 117.15 3h5d h LYS 233 Ca -0.00 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3h5d h LYS 233 Cb 0.13 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3h5d h LYS 233 CO 0.01 0.64 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.13 3h5d h LYS 234 N 0.68 -0.48 -0.96 3.15 3.64 -1.87 -2.90 116.57 117.84 3h5d h LYS 234 Ca 0.17 0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.76 3h5d h LYS 234 Cb 0.16 0.11 -0.17 0.00 -0.41 0.00 0.00 32.23 31.91 3h5d h LYS 234 CO -0.02 -0.16 -0.30 0.00 -2.27 0.00 0.00 179.45 176.70 3h5d h ALA 235 N -0.48 0.43 0.00 5.00 0.00 -1.28 0.17 119.26 123.10 3h5d h ALA 235 Ca -0.05 0.33 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3h5d h ALA 235 Cb 0.54 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3h5d h ALA 235 CO 0.08 -0.49 -0.47 0.00 0.00 0.00 0.00 179.25 178.37 3h5d h ALA 236 N 1.70 0.97 -0.03 0.00 0.00 -1.42 -2.53 119.26 117.96 3h5d h ALA 236 Ca 0.41 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3h5d h ALA 236 Cb 0.66 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3h5d h ALA 236 CO -0.98 0.59 -0.10 0.00 0.00 0.00 0.00 179.25 178.77 3h5d h ALA 237 N 1.53 -0.09 -0.14 0.00 0.00 -0.45 -2.21 119.26 117.90 3h5d h ALA 237 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3h5d h ALA 237 Cb 0.99 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3h5d h ALA 237 CO 0.06 -0.59 0.04 0.82 0.00 0.00 0.00 179.25 179.59 3h5d h ILE 238 N -0.16 1.18 -0.52 0.00 2.04 -1.24 -3.04 117.51 115.77 3h5d h ILE 238 Ca 0.05 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.44 3h5d h ILE 238 Cb 0.22 1.31 -0.10 0.00 -0.74 0.00 0.00 36.82 37.51 3h5d h ILE 238 CO -0.12 0.17 -0.10 -0.61 0.00 0.00 0.00 178.15 177.49 3h5d h GLN 239 N 0.04 0.02 0.00 2.37 5.75 -1.42 0.92 115.11 122.79 3h5d h GLN 239 Ca 0.04 -0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 3h5d h GLN 239 Cb 0.23 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 3h5d h GLN 239 CO -0.00 0.01 -0.23 0.00 -2.65 0.00 0.00 178.83 175.96 3h5d h ARG 240 N 0.02 0.00 0.00 1.69 3.08 -1.30 -0.97 114.38 116.90 3h5d h ARG 240 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3h5d h ARG 240 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3h5d h ARG 240 CO -0.51 0.23 -0.80 1.63 -1.07 0.00 0.00 179.97 179.45 3h5d n LYS 241 N -4.00 0.27 0.09 0.04 5.02 -0.40 -3.98 118.16 115.19 3h5d n LYS 241 Ca -0.02 0.04 -0.01 0.00 -2.02 0.00 0.00 58.31 56.30 3h5d n LYS 241 Cb 0.31 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 3h5d n LYS 241 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3h5d h PHE 242 N 0.00 0.00 -0.45 2.13 3.57 0.21 -3.38 116.94 119.02 3h5d h PHE 242 Ca 0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 3h5d h PHE 242 Cb 0.72 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3h5d h PHE 242 CO 0.00 0.66 -0.19 0.82 -2.23 0.00 0.00 178.31 177.37 3h5d h ILE 243 N 0.00 1.27 -0.12 1.41 2.04 -1.46 -1.74 117.51 118.91 3h5d h ILE 243 Ca -0.06 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 3h5d h ILE 243 Cb 1.55 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 3h5d h ILE 243 CO 0.08 0.46 -0.09 -0.65 0.00 0.00 0.00 178.15 177.94 3h5d h PRO 244 N 0.75 0.17 -0.20 2.37 0.11 -1.79 0.73 132.00 134.13 3h5d h PRO 244 Ca 0.10 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.10 3h5d h PRO 244 Cb 0.75 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 3h5d h PRO 244 CO 0.06 0.27 -0.21 0.87 -0.21 0.00 0.00 178.00 178.78 3h5d h LYS 245 N 0.17 0.50 0.07 1.05 1.57 -1.65 -0.37 116.57 117.91 3h5d h LYS 245 Ca 0.04 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3h5d h LYS 245 Cb 0.27 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3h5d h LYS 245 CO 0.01 0.85 -0.03 0.28 -0.57 0.00 0.00 179.45 179.99 3h5d h VAL 246 N 0.18 1.01 -0.94 0.50 2.07 -1.07 -0.64 116.25 117.36 3h5d h VAL 246 Ca 0.03 -0.25 0.28 0.00 0.82 0.00 0.00 66.70 67.58 3h5d h VAL 246 Cb 0.76 1.17 -0.15 0.00 -1.52 0.00 0.00 31.29 31.55 3h5d h VAL 246 CO 0.05 0.06 0.33 0.78 0.02 0.00 0.00 177.57 178.81 3h5d h ASN 247 N -0.20 0.11 -0.42 0.57 -0.26 -0.75 0.28 115.58 114.89 3h5d h ASN 247 Ca -0.01 0.21 -0.03 0.00 -0.56 0.00 0.00 56.30 55.92 3h5d h ASN 247 Cb 0.17 0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.67 3h5d h ASN 247 CO 0.02 -0.20 0.16 0.00 -1.06 0.00 0.00 177.43 176.35 3h5d h ALA 248 N 1.85 0.55 0.00 -0.83 0.00 -0.58 -2.14 119.26 118.11 3h5d h ALA 248 Ca 0.63 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3h5d h ALA 248 Cb 1.38 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3h5d h ALA 248 CO -0.69 0.17 0.04 -0.07 0.00 0.00 0.00 179.25 178.70 3h5d h LEU 249 N 0.54 0.00 -3.55 0.00 -0.00 0.11 -1.79 115.31 110.62 3h5d h LEU 249 Ca 0.14 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.83 3h5d h LEU 249 Cb 0.20 0.00 -0.28 0.00 -0.00 0.00 0.00 40.66 40.59 3h5d h LEU 249 CO -0.01 0.00 -0.85 0.49 -0.00 0.00 0.00 178.44 178.07 3h5d n PHE 250 N -2.41 0.66 0.14 1.13 3.72 -0.96 -4.26 117.46 115.48 3h5d n PHE 250 Ca -0.02 -1.37 -0.00 0.00 -0.05 0.00 0.00 57.45 56.01 3h5d n PHE 250 Cb 0.08 -0.22 0.24 0.00 -0.94 0.00 0.00 39.48 38.64 3h5d n PHE 250 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3h5d h SER 251 N 1.47 0.07 -4.95 4.37 0.02 -0.67 -3.45 113.55 110.42 3h5d h SER 251 Ca -0.05 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.70 3h5d h SER 251 Cb 1.45 -0.02 -0.16 0.00 0.14 0.00 0.00 62.40 63.82 3h5d h SER 251 CO 0.19 0.55 -0.69 -0.47 -1.14 0.00 0.00 176.83 175.27 3h5d s TYR 252 N -3.92 0.65 -0.45 3.45 5.04 -1.26 -5.06 117.35 115.80 3h5d s TYR 252 Ca -0.03 -0.94 -0.29 0.00 -2.44 0.00 0.00 57.07 53.38 3h5d s TYR 252 Cb 0.13 -0.42 -0.09 0.00 0.35 0.00 0.00 41.96 41.93 3h5d s TYR 252 CO 0.75 -0.26 2.35 -2.30 -1.34 0.00 0.00 175.55 174.76 3h5d n PRO 253 N 0.24 1.16 -1.53 4.97 -0.02 -1.26 -4.43 135.00 134.13 3h5d n PRO 253 Ca -0.15 0.19 -0.46 0.00 -2.02 0.00 0.00 63.50 61.07 3h5d n PRO 253 Cb 0.60 -2.97 -0.02 0.00 -0.02 0.00 0.00 33.50 31.09 3h5d n PRO 253 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3h5d n SER 254 N 13.01 0.46 -2.24 2.55 2.88 -1.26 -2.03 113.62 126.98 3h5d n SER 254 Ca 0.39 1.16 -0.26 0.00 -1.33 0.00 0.00 58.87 58.84 3h5d n SER 254 Cb 0.40 -1.17 0.16 0.00 -0.75 0.00 0.00 64.21 62.84 3h5d n SER 254 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3h5d n PRO 255 N 0.83 2.32 0.20 -1.46 -0.05 -1.26 -4.95 135.00 130.63 3h5d n PRO 255 Ca 0.12 -3.03 -0.15 0.00 -0.05 0.00 0.00 63.50 60.40 3h5d n PRO 255 Cb 0.29 -2.19 -0.07 0.00 -0.05 0.00 0.00 33.50 31.48 3h5d n PRO 255 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3h5d h ALA 256 N 1.19 -0.52 -0.09 0.55 0.00 -1.66 0.68 119.26 119.41 3h5d h ALA 256 Ca 0.63 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.48 3h5d h ALA 256 Cb 2.48 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 20.49 3h5d h ALA 256 CO 1.19 -0.81 -0.44 -1.35 0.00 0.00 0.00 179.25 177.84 3h5d h PRO 257 N -0.53 -0.52 -0.57 0.00 0.11 -1.79 0.15 132.00 128.85 3h5d h PRO 257 Ca -0.03 0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.19 3h5d h PRO 257 Cb 0.45 0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.61 3h5d h PRO 257 CO 0.02 -0.35 0.23 -0.24 -0.21 0.00 0.00 178.00 177.45 3h5d h VAL 258 N -0.54 0.83 0.85 3.15 3.04 -1.70 -1.60 116.25 120.28 3h5d h VAL 258 Ca 0.06 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 65.56 3h5d h VAL 258 Cb 0.65 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 3h5d h VAL 258 CO -0.38 0.08 -0.45 0.11 -1.01 0.00 0.00 177.57 175.92 3h5d h LYS 259 N 0.43 -1.15 -1.25 4.17 1.57 -0.48 -0.74 116.57 119.12 3h5d h LYS 259 Ca 0.28 0.08 0.36 0.00 -1.87 0.00 0.00 60.65 59.50 3h5d h LYS 259 Cb 0.30 0.26 -0.08 0.00 0.08 0.00 0.00 32.23 32.78 3h5d h LYS 259 CO -0.26 -0.76 0.85 0.00 -0.57 0.00 0.00 179.45 178.71 3h5d h ALA 260 N -1.36 2.83 0.34 3.86 0.00 -0.39 0.34 119.26 124.88 3h5d h ALA 260 Ca -0.12 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3h5d h ALA 260 Cb 0.93 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3h5d h ALA 260 CO 0.17 -1.28 -0.17 0.82 0.00 0.00 0.00 179.25 178.79 3h5d h ILE 261 N 0.14 0.00 -1.11 0.00 2.04 -1.08 -2.99 117.51 114.52 3h5d h ILE 261 Ca 0.67 -0.49 0.34 0.00 1.00 0.00 0.00 64.86 66.38 3h5d h ILE 261 Cb 2.25 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 38.20 3h5d h ILE 261 CO -0.19 0.00 0.68 -0.07 0.00 0.00 0.00 178.15 178.57 3h5d h LEU 262 N -0.95 0.42 -0.62 1.44 3.38 0.44 0.33 115.31 119.75 3h5d h LEU 262 Ca -0.05 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3h5d h LEU 262 Cb 0.35 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3h5d h LEU 262 CO 0.08 -0.09 0.32 0.78 0.09 0.00 0.00 178.44 179.62 3h5d h ASN 263 N 0.27 0.80 0.21 -0.43 2.35 -0.51 -2.17 115.58 116.10 3h5d h ASN 263 Ca 0.72 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 56.30 3h5d h ASN 263 Cb 1.90 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 40.05 3h5d h ASN 263 CO -0.47 0.68 -0.27 0.22 -1.65 0.00 0.00 177.43 175.94 3h5d h TYR 264 N 0.85 0.12 -0.00 1.19 3.20 -0.26 -2.78 116.97 119.30 3h5d h TYR 264 Ca 0.22 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3h5d h TYR 264 Cb 0.08 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3h5d h TYR 264 CO -0.00 0.37 -0.12 -1.33 -1.64 0.00 0.00 178.16 175.44 3h5d n MET 265 N -4.18 0.21 0.00 1.82 2.81 -0.24 -4.93 117.12 112.61 3h5d n MET 265 Ca -0.02 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 3h5d n MET 265 Cb 0.34 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 3h5d n MET 265 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h5d n GLY 266 N 1.42 1.81 0.00 3.03 0.00 -0.87 -4.96 105.19 105.61 3h5d n GLY 266 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 3h5d n GLY 266 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h5d n PHE 267 N -0.83 0.00 -3.59 1.61 3.72 -0.97 -4.91 117.46 112.50 3h5d n PHE 267 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 3h5d n PHE 267 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 3h5d n PHE 267 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3h5d n GLU 268 N -0.82 -1.56 0.16 -1.08 4.07 -1.26 -4.81 120.64 115.33 3h5d n GLU 268 Ca 0.11 0.90 0.04 0.00 -0.06 0.00 0.00 57.16 58.16 3h5d n GLU 268 Cb 0.05 -1.99 0.11 0.00 -0.06 0.00 0.00 31.44 29.55 3h5d n GLU 268 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3h5d h ALA 269 N 1.51 0.75 0.00 4.31 0.00 -1.85 -3.45 119.26 120.52 3h5d h ALA 269 Ca -0.58 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 53.92 3h5d h ALA 269 Cb 1.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3h5d h ALA 269 CO 0.30 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.52 3h5d n GLY 270 N 1.01 -2.04 2.15 0.00 0.00 -1.26 -2.74 105.19 102.30 3h5d n GLY 270 Ca 0.02 -1.60 -0.18 0.00 0.00 0.00 0.00 46.02 44.25 3h5d n GLY 270 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h5d n PRO 271 N -0.04 -2.04 -4.13 1.61 -0.02 -1.26 -4.79 135.00 124.33 3h5d n PRO 271 Ca 0.00 -1.08 -0.24 0.00 -2.02 0.00 0.00 63.50 60.16 3h5d n PRO 271 Cb 0.00 -0.96 -0.05 0.00 -0.02 0.00 0.00 33.50 32.47 3h5d n PRO 271 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3h5d s THR 272 N -2.29 4.30 0.45 3.45 -4.23 -1.26 -4.49 115.64 111.57 3h5d s THR 272 Ca 0.43 -1.34 -0.10 0.00 -1.18 0.00 0.00 61.69 59.50 3h5d s THR 272 Cb -0.04 -3.27 -0.06 0.00 1.34 0.00 0.00 72.50 70.48 3h5d s THR 272 CO 0.33 -0.25 0.82 -0.13 -0.54 0.00 0.00 174.62 174.85 3h5d s ARG 273 N -3.49 3.73 0.43 3.99 0.52 -1.26 -4.77 118.95 118.11 3h5d s ARG 273 Ca 0.32 0.49 -0.24 0.00 -0.52 0.00 0.00 55.73 55.78 3h5d s ARG 273 Cb -0.09 -2.34 -0.08 0.00 0.52 0.00 0.00 34.95 32.97 3h5d s ARG 273 CO 0.23 -0.14 1.13 -0.51 0.02 0.00 0.00 175.30 176.03 3h5d s LEU 274 N -4.16 4.08 0.00 2.53 1.43 -1.26 -1.39 118.68 119.91 3h5d s LEU 274 Ca 0.52 2.23 0.21 0.00 -1.03 0.00 0.00 54.13 56.06 3h5d s LEU 274 Cb -0.10 -4.19 1.18 0.00 0.03 0.00 0.00 46.19 43.10 3h5d s LEU 274 CO 0.36 -0.75 1.68 -2.65 0.23 0.00 0.00 176.35 175.21 3h5d n PRO 275 N -0.28 0.48 -2.97 1.29 -0.02 -1.26 -4.92 135.00 127.32 3h5d n PRO 275 Ca 0.06 0.05 -0.40 0.00 -2.02 0.00 0.00 63.50 61.19 3h5d n PRO 275 Cb 0.48 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.41 3h5d n PRO 275 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3h5d s LEU 276 N -2.30 4.46 -0.00 2.45 1.43 -0.49 -5.08 118.68 119.16 3h5d s LEU 276 Ca 0.26 1.49 0.02 0.00 -1.03 0.00 0.00 54.13 54.86 3h5d s LEU 276 Cb 0.15 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 3h5d s LEU 276 CO 0.29 0.02 -0.01 0.68 0.23 0.00 0.00 176.35 177.56 3h5d s VAL 277 N -0.13 4.05 0.95 -1.59 -7.23 -1.26 -4.34 120.40 110.85 3h5d s VAL 277 Ca 0.39 -0.63 -0.12 0.00 -1.81 0.00 0.00 61.98 59.81 3h5d s VAL 277 Cb -0.21 -2.80 0.10 0.00 0.56 0.00 0.00 36.38 34.04 3h5d s VAL 277 CO 0.24 0.38 0.77 -2.65 -0.31 0.00 0.00 175.10 173.53 3h5d n PRO 278 N 1.44 -0.50 -2.35 4.82 -0.02 -1.26 -4.88 135.00 132.25 3h5d n PRO 278 Ca -0.15 -0.09 -0.37 0.00 -2.02 0.00 0.00 63.50 60.87 3h5d n PRO 278 Cb 0.53 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 3h5d n PRO 278 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h5d s ALA 279 N -2.51 3.04 0.64 3.55 0.00 -1.26 -5.00 121.76 120.22 3h5d s ALA 279 Ca 0.62 0.87 -0.18 0.00 0.00 0.00 0.00 51.96 53.28 3h5d s ALA 279 Cb -0.22 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 3h5d s ALA 279 CO 0.63 -0.50 1.06 -2.30 0.00 0.00 0.00 175.76 174.65 3h5d n PRO 280 N -0.25 0.88 -0.04 0.00 -0.02 -1.26 -4.80 135.00 129.50 3h5d n PRO 280 Ca 0.06 0.35 -0.05 0.00 -2.02 0.00 0.00 63.50 61.84 3h5d n PRO 280 Cb 0.48 -2.28 0.16 0.00 -0.02 0.00 0.00 33.50 31.84 3h5d n PRO 280 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3h5d h GLU 281 N 0.34 0.64 -0.38 -0.52 4.57 -1.98 -2.18 114.58 115.08 3h5d h GLU 281 Ca -0.49 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 57.45 3h5d h GLU 281 Cb 1.35 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.88 3h5d h GLU 281 CO 0.51 0.78 0.18 1.49 -1.18 0.00 0.00 179.01 180.78 3h5d h GLU 282 N 0.57 0.52 -0.03 1.92 4.81 -1.99 -2.95 114.58 117.42 3h5d h GLU 282 Ca 0.09 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3h5d h GLU 282 Cb 0.62 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3h5d h GLU 282 CO 0.04 0.41 -0.23 -0.44 -0.73 0.00 0.00 179.01 178.06 3h5d h ASP 283 N 0.52 0.26 -0.97 1.04 5.19 -1.77 -3.12 116.42 117.57 3h5d h ASP 283 Ca 0.13 -0.68 0.29 0.00 -0.62 0.00 0.00 57.03 56.15 3h5d h ASP 283 Cb 0.06 -0.08 -0.15 0.00 0.18 0.00 0.00 39.33 39.35 3h5d h ASP 283 CO -0.02 0.90 0.47 0.58 -3.12 0.00 0.00 179.24 178.06 3h5d h VAL 284 N -0.36 0.31 0.10 -1.35 2.07 -1.29 1.13 116.25 116.85 3h5d h VAL 284 Ca -0.02 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3h5d h VAL 284 Cb 0.91 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3h5d h VAL 284 CO 0.05 0.05 -0.09 0.50 0.02 0.00 0.00 177.57 178.10 3h5d h LYS 285 N 0.30 -0.18 -0.67 1.57 1.63 -1.47 0.30 116.57 118.04 3h5d h LYS 285 Ca 0.68 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.58 3h5d h LYS 285 Cb 1.50 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 33.10 3h5d h LYS 285 CO -0.62 -0.12 0.33 -0.09 -3.45 0.00 0.00 179.45 175.50 3h5d h ARG 286 N -0.19 0.55 -0.23 1.90 2.43 -1.13 -0.41 114.38 117.31 3h5d h ARG 286 Ca -0.01 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3h5d h ARG 286 Cb 0.16 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3h5d h ARG 286 CO -0.01 0.36 0.01 0.82 -1.51 0.00 0.00 179.97 179.65 3h5d h ILE 287 N 0.57 0.85 -0.41 1.20 2.04 0.13 0.10 117.51 122.00 3h5d h ILE 287 Ca 0.33 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 66.05 3h5d h ILE 287 Cb 0.34 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3h5d h ILE 287 CO -0.26 0.02 -0.17 0.40 0.00 0.00 0.00 178.15 178.13 3h5d h ILE 288 N 0.09 1.26 -0.63 -0.67 2.04 0.08 -2.09 117.51 117.59 3h5d h ILE 288 Ca 0.11 -1.26 -0.07 0.00 1.00 0.00 0.00 64.86 64.64 3h5d h ILE 288 Cb 0.13 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3h5d h ILE 288 CO -0.17 0.43 0.12 0.50 0.00 0.00 0.00 178.15 179.03 3h5d h LYS 289 N 0.69 1.00 -0.01 2.37 1.63 -0.75 -2.38 116.57 119.12 3h5d h LYS 289 Ca 0.11 -0.24 -0.09 0.00 -0.85 0.00 0.00 60.65 59.57 3h5d h LYS 289 Cb 0.67 -0.13 0.01 0.00 -0.60 0.00 0.00 32.23 32.17 3h5d h LYS 289 CO 0.05 0.91 -0.36 0.28 -3.45 0.00 0.00 179.45 176.88 3h5d h VAL 290 N 0.95 1.50 0.00 2.00 2.07 -0.53 -3.40 116.25 118.83 3h5d h VAL 290 Ca 0.20 -1.96 -0.07 0.00 0.82 0.00 0.00 66.70 65.69 3h5d h VAL 290 Cb 0.38 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 3h5d h VAL 290 CO 0.01 0.55 -0.48 0.58 0.02 0.00 0.00 177.57 178.24 3h5d h VAL 291 N -0.34 0.87 0.00 2.57 2.07 -1.46 -3.43 116.25 116.53 3h5d h VAL 291 Ca -0.04 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.67 3h5d h VAL 291 Cb 1.09 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3h5d h VAL 291 CO 0.07 0.29 0.00 1.33 0.02 0.00 0.00 177.57 179.29 3h5d n VAL 292 N -4.59 0.00 0.00 2.57 0.24 -0.90 -5.01 118.33 110.64 3h5d n VAL 292 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3h5d n VAL 292 Cb 0.41 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 3h5d n VAL 292 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3h5d n ASP 293 N 0.00 0.00 0.00 -1.34 4.64 -1.19 -4.77 116.55 113.89 3h5d n ASP 293 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3h5d n ASP 293 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3h5d n ASP 293 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3h5d n GLY 294 N 0.00 0.40 2.97 0.27 0.00 -1.26 -5.06 105.19 102.51 3h5d n GLY 294 Ca 0.00 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 3h5d n GLY 294 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h5d s ASP 295 N -0.05 4.53 -0.37 1.61 1.01 -1.26 -3.20 116.67 118.95 3h5d s ASP 295 Ca 0.00 -1.90 -0.15 0.00 0.71 0.00 0.00 52.55 51.22 3h5d s ASP 295 Cb 0.00 -1.46 -0.00 0.00 1.01 0.00 0.00 42.92 42.47 3h5d s ASP 295 CO 0.00 -0.35 0.32 -0.47 0.21 0.00 0.00 175.17 174.88 3h5d s TYR 296 N 1.08 3.22 -0.74 4.23 5.04 -1.26 -5.01 117.35 123.90 3h5d s TYR 296 Ca 0.07 -0.26 -0.22 0.00 -2.44 0.00 0.00 57.07 54.22 3h5d s TYR 296 Cb -0.19 -2.62 0.08 0.00 0.35 0.00 0.00 41.96 39.58 3h5d s TYR 296 CO -0.10 -0.48 1.05 -1.21 -1.34 0.00 0.00 175.55 173.47 3h5d s GLU 297 N 1.86 3.24 0.61 4.97 8.01 -1.26 -4.89 118.70 131.24 3h5d s GLU 297 Ca 0.08 -0.99 -0.13 0.00 0.01 0.00 0.00 54.97 53.95 3h5d s GLU 297 Cb -0.17 -4.43 -0.04 0.00 -4.31 0.00 0.00 34.13 25.17 3h5d s GLU 297 CO 0.11 -1.86 1.03 0.00 0.01 0.00 0.00 175.26 174.55 3h5d s ALA 298 N 3.98 2.96 -2.00 5.21 0.00 -1.26 -5.22 121.76 125.44 3h5d s ALA 298 Ca 0.27 0.07 0.26 0.00 0.00 0.00 0.00 51.96 52.56 3h5d s ALA 298 Cb -0.13 -3.13 1.56 0.00 0.00 0.00 0.00 23.12 21.43 3h5d s ALA 298 CO 0.05 -0.70 1.92 -2.37 0.00 0.00 0.00 175.76 174.66