#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 0.42 -0.15 0.66 3.20 -1.91 -1.11 116.97 118.08 3h5d h TYR 3 Ca 0.00 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.73 3h5d h TYR 3 Cb 0.00 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 3h5d h TYR 3 CO 0.00 0.05 -0.57 1.96 -1.64 0.00 0.00 178.16 177.96 3h5d h GLN 4 N 0.26 0.46 -0.83 1.82 1.08 -1.99 0.72 115.11 116.64 3h5d h GLN 4 Ca 0.55 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 57.44 3h5d h GLN 4 Cb 1.66 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 29.09 3h5d h GLN 4 CO -0.18 0.91 0.47 -0.44 -0.95 0.00 0.00 178.83 178.63 3h5d h ASP 5 N 0.35 1.01 0.33 1.46 3.32 -1.58 -3.22 116.42 118.10 3h5d h ASP 5 Ca 0.00 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 3h5d h ASP 5 Cb 1.10 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 3h5d h ASP 5 CO 0.10 0.80 -1.75 0.18 -1.72 0.00 0.00 179.24 176.85 3h5d n LEU 6 N -4.35 0.33 0.25 1.55 7.99 -1.14 -4.56 117.00 117.08 3h5d n LEU 6 Ca 0.09 0.14 0.06 0.00 -0.01 0.00 0.00 56.01 56.28 3h5d n LEU 6 Cb 0.09 0.08 0.31 0.00 -0.11 0.00 0.00 43.42 43.79 3h5d n LEU 6 CO 0.38 0.07 0.93 0.07 -1.51 0.00 0.00 177.39 177.33 3h5d h LYS 7 N 0.00 0.00 0.00 3.23 2.10 -0.86 0.14 116.57 121.18 3h5d h LYS 7 Ca -0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 3h5d h LYS 7 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3h5d h LYS 7 CO 0.01 0.00 -1.03 0.39 -2.00 0.00 0.00 179.45 176.82 3h5d n GLU 8 N -2.33 1.77 -1.61 0.07 -0.58 -1.26 -5.03 120.64 111.67 3h5d n GLU 8 Ca -0.01 -0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.26 3h5d n GLU 8 Cb 0.61 -1.11 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 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 0.32 1.06 -3.74 0.00 4.76 -1.26 -4.37 118.16 114.92 3h5d n LYS 10 Ca 0.09 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.24 3h5d n LYS 10 Cb 0.37 -0.86 -0.13 0.00 -1.84 0.00 0.00 35.03 32.58 3h5d n LYS 10 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3h5d s ILE 11 N -1.71 1.65 -0.34 -0.18 1.01 -1.26 -1.40 121.20 118.96 3h5d s ILE 11 Ca 0.00 -2.84 -0.23 0.00 0.00 0.00 0.00 60.65 57.58 3h5d s ILE 11 Cb 0.00 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.33 3h5d s ILE 11 CO 0.00 -0.91 0.80 -0.63 0.00 0.00 0.00 174.94 174.19 3h5d s ILE 12 N 0.07 4.75 0.04 2.92 1.09 -0.47 -1.64 121.20 127.96 3h5d s ILE 12 Ca 0.19 1.03 -0.24 0.00 -1.10 0.00 0.00 60.65 60.53 3h5d s ILE 12 Cb -0.21 -4.19 -0.06 0.00 -1.06 0.00 0.00 42.46 36.94 3h5d s ILE 12 CO -0.03 -0.37 0.74 -0.89 -0.10 0.00 0.00 174.94 174.29 3h5d s THR 13 N 3.07 4.74 -0.95 2.92 2.01 -0.97 0.05 115.64 126.51 3h5d s THR 13 Ca 0.32 1.56 -0.18 0.00 0.31 0.00 0.00 61.69 63.71 3h5d s THR 13 Cb -0.13 -4.08 0.14 0.00 0.01 0.00 0.00 72.50 68.43 3h5d s THR 13 CO 0.15 0.38 1.13 0.00 -0.69 0.00 0.00 174.62 175.60 3h5d s ALA 14 N -0.14 3.47 0.44 7.40 0.00 -0.17 -0.22 121.76 132.53 3h5d s ALA 14 Ca 0.37 -2.86 -0.24 0.00 0.00 0.00 0.00 51.96 49.23 3h5d s ALA 14 Cb -0.20 -4.02 -0.08 0.00 0.00 0.00 0.00 23.12 18.82 3h5d s ALA 14 CO 0.22 -2.92 1.19 0.12 0.00 0.00 0.00 175.76 174.37 3h5d s PHE 15 N 2.42 2.91 0.85 0.00 5.36 -0.92 -4.62 117.98 123.97 3h5d s PHE 15 Ca 0.33 1.52 -0.13 0.00 -0.96 0.00 0.00 56.93 57.69 3h5d s PHE 15 Cb -0.05 -3.43 0.11 0.00 -0.34 0.00 0.00 43.02 39.31 3h5d s PHE 15 CO -0.09 -1.56 1.21 0.96 -1.46 0.00 0.00 175.22 174.29 3h5d s ILE 16 N -1.46 2.00 -0.36 3.12 -4.36 -1.26 -2.80 121.20 116.08 3h5d s ILE 16 Ca 0.61 0.00 0.04 0.00 -0.26 0.00 0.00 60.65 61.04 3h5d s ILE 16 Cb -0.31 -2.99 0.10 0.00 1.25 0.00 0.00 42.46 40.52 3h5d s ILE 16 CO 0.38 0.00 0.08 -0.89 0.24 0.00 0.00 174.94 174.75 3h5d s THR 17 N -3.64 2.17 0.22 8.37 2.01 -1.26 -4.83 115.64 118.68 3h5d s THR 17 Ca 0.65 -2.37 -0.32 0.00 0.31 0.00 0.00 61.69 59.96 3h5d s THR 17 Cb -0.10 -2.60 -0.13 0.00 0.01 0.00 0.00 72.50 69.69 3h5d s THR 17 CO 0.50 -0.63 1.58 -2.65 -0.69 0.00 0.00 174.62 172.72 3h5d n PRO 18 N 4.18 2.39 -4.26 4.92 -0.02 -1.26 -4.89 135.00 136.06 3h5d n PRO 18 Ca 0.04 0.86 -0.27 0.00 -2.02 0.00 0.00 63.50 62.10 3h5d n PRO 18 Cb 0.41 -2.62 -0.09 0.00 -0.02 0.00 0.00 33.50 31.18 3h5d n PRO 18 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3h5d s PHE 19 N 0.54 2.70 0.69 6.00 2.99 -0.34 0.34 117.98 130.89 3h5d s PHE 19 Ca 0.72 -0.19 -0.10 0.00 0.00 0.00 0.00 56.93 57.36 3h5d s PHE 19 Cb -0.59 -1.33 0.02 0.00 0.00 0.00 0.00 43.02 41.12 3h5d s PHE 19 CO 0.42 0.50 1.06 -1.01 -0.00 0.00 0.00 175.22 176.19 3h5d s HIS 20 N -1.65 3.29 0.52 0.36 3.76 0.37 -4.03 115.29 117.90 3h5d s HIS 20 Ca 0.25 0.94 0.37 0.00 -0.15 0.00 0.00 55.06 56.47 3h5d s HIS 20 Cb -0.09 -3.02 1.96 0.00 1.11 0.00 0.00 32.58 32.53 3h5d s HIS 20 CO 0.16 -1.14 2.23 0.93 -0.85 0.00 0.00 174.74 176.07 3h5d h GLU 21 N -0.57 0.00 -0.00 1.40 4.39 -1.99 0.88 114.58 118.68 3h5d h GLU 21 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 3h5d h GLU 21 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3h5d h GLU 21 CO 0.63 0.03 -0.13 -0.40 -1.16 0.00 0.00 179.01 177.98 3h5d n ASP 22 N -3.35 0.18 0.00 1.42 3.85 -1.26 -4.91 116.55 112.47 3h5d n ASP 22 Ca -0.02 0.14 0.00 0.00 -0.71 0.00 0.00 54.79 54.20 3h5d n ASP 22 Cb 0.14 -0.25 0.00 0.00 -1.35 0.00 0.00 41.12 39.66 3h5d n ASP 22 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3h5d n GLY 23 N 1.46 1.23 3.78 6.12 0.00 0.30 -5.06 105.19 113.02 3h5d n GLY 23 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.70 7.06 0.47 1.61 0.01 -1.26 -4.59 113.70 115.30 3h5d s SER 24 Ca 0.00 1.97 -0.23 0.00 1.31 0.00 0.00 55.95 59.00 3h5d s SER 24 Cb 0.00 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 3h5d s SER 24 CO 0.00 -0.28 1.05 -0.38 0.41 0.00 0.00 173.24 174.04 3h5d n ILE 25 N 0.31 2.81 -3.54 1.44 5.41 -1.26 0.14 119.36 124.68 3h5d n ILE 25 Ca 0.03 -0.50 -0.39 0.00 1.00 0.00 0.00 62.75 62.89 3h5d n ILE 25 Cb 0.49 -1.24 -0.04 0.00 -0.71 0.00 0.00 39.64 38.14 3h5d n ILE 25 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3h5d s ASN 26 N -0.84 6.44 0.00 4.38 2.47 0.15 -4.60 114.94 122.95 3h5d s ASN 26 Ca 0.66 -3.67 0.08 0.00 0.42 0.00 0.00 52.86 50.35 3h5d s ASN 26 Cb -0.50 -2.01 0.36 0.00 -1.45 0.00 0.00 41.25 37.64 3h5d s ASN 26 CO 0.54 -0.22 1.16 0.49 -3.72 0.00 0.00 177.10 175.36 3h5d n PHE 27 N 2.47 0.00 0.02 0.43 3.01 -1.26 -1.55 117.46 120.58 3h5d n PHE 27 Ca 0.22 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.49 3h5d n PHE 27 Cb 0.38 -0.38 -0.11 0.00 -0.01 0.00 0.00 39.48 39.36 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 0.69 1.06 4.37 3.32 -1.97 -3.32 116.42 120.57 3h5d h ASP 28 Ca 0.00 -0.76 -0.05 0.00 0.02 0.00 0.00 57.03 56.24 3h5d h ASP 28 Cb 0.10 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3h5d h ASP 28 CO 0.00 1.36 -0.24 0.00 -1.72 0.00 0.00 179.24 178.64 3h5d h ALA 29 N 0.35 0.97 -0.69 3.45 0.00 -1.61 -3.33 119.26 118.41 3h5d h ALA 29 Ca -0.10 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.69 3h5d h ALA 29 Cb 1.48 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.16 3h5d h ALA 29 CO 0.16 0.30 0.31 0.82 0.00 0.00 0.00 179.25 180.84 3h5d h ILE 30 N 0.00 0.79 -0.39 0.00 2.04 -1.65 -2.38 117.51 115.93 3h5d h ILE 30 Ca -0.00 -0.18 -0.14 0.00 1.00 0.00 0.00 64.86 65.54 3h5d h ILE 30 Cb 0.83 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3h5d h ILE 30 CO 0.03 0.09 -0.31 -0.65 0.00 0.00 0.00 178.15 177.31 3h5d h PRO 31 N 0.52 0.85 -0.23 2.37 0.11 -1.77 -2.28 132.00 131.57 3h5d h PRO 31 Ca 0.35 -0.40 0.05 0.00 0.11 0.00 0.00 66.00 66.11 3h5d h PRO 31 Cb 0.42 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.47 3h5d h PRO 31 CO -0.30 1.04 -0.12 0.00 -0.21 0.00 0.00 178.00 178.41 3h5d h ALA 32 N 0.92 0.07 0.00 -0.75 0.00 -1.62 -2.43 119.26 115.45 3h5d h ALA 32 Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3h5d h ALA 32 Cb 0.87 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3h5d h ALA 32 CO 0.08 -0.53 -0.94 1.37 0.00 0.00 0.00 179.25 179.22 3h5d h LEU 33 N -0.09 0.00 -1.91 0.00 -0.00 -1.58 -3.13 115.31 108.59 3h5d h LEU 33 Ca 0.13 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.99 3h5d h LEU 33 Cb 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.94 3h5d h LEU 33 CO -0.29 0.00 -0.06 0.40 -0.00 0.00 0.00 178.44 178.49 3h5d h ILE 34 N 0.00 1.00 0.10 0.15 2.04 -1.29 0.11 117.51 119.64 3h5d h ILE 34 Ca 0.00 -0.20 -0.29 0.00 1.00 0.00 0.00 64.86 65.37 3h5d h ILE 34 Cb 0.99 1.11 0.02 0.00 -0.74 0.00 0.00 36.82 38.21 3h5d h ILE 34 CO 0.00 0.06 -1.21 -0.08 0.00 0.00 0.00 178.15 176.92 3h5d h GLU 35 N 0.00 0.57 -0.77 2.37 4.57 -1.46 -2.89 114.58 116.96 3h5d h GLU 35 Ca -0.00 -0.76 0.06 0.00 -1.18 0.00 0.00 59.36 57.48 3h5d h GLU 35 Cb 0.11 0.25 -0.06 0.00 -0.16 0.00 0.00 28.75 28.89 3h5d h GLU 35 CO 0.01 1.33 0.46 1.25 -1.18 0.00 0.00 179.01 180.89 3h5d h HIS 36 N 0.26 0.86 0.28 0.92 2.76 -1.32 -0.44 115.15 118.48 3h5d h HIS 36 Ca -0.17 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.03 3h5d h HIS 36 Cb 1.88 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 30.53 3h5d h HIS 36 CO 0.10 0.43 -0.40 -0.07 -1.30 0.00 0.00 177.93 176.70 3h5d h LEU 37 N 0.86 -1.12 -0.89 0.26 4.07 -0.77 -2.58 115.31 115.14 3h5d h LEU 37 Ca 0.34 0.11 -0.10 0.00 0.08 0.00 0.00 57.88 58.31 3h5d h LEU 37 Cb 0.16 0.39 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 3h5d h LEU 37 CO -0.17 -0.52 -0.21 -0.07 -1.08 0.00 0.00 178.44 176.40 3h5d h LEU 38 N -0.74 0.59 -2.37 1.67 4.07 -1.25 0.28 115.31 117.55 3h5d h LEU 38 Ca -0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 3h5d h LEU 38 Cb 0.70 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.28 3h5d h LEU 38 CO -0.13 0.80 -0.04 0.00 -1.08 0.00 0.00 178.44 177.99 3h5d h ALA 39 N 1.25 1.27 -1.91 1.53 0.00 -1.02 -3.17 119.26 117.21 3h5d h ALA 39 Ca 0.08 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 54.38 3h5d h ALA 39 Cb 0.65 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 18.01 3h5d h ALA 39 CO 0.05 0.05 -0.72 0.72 0.00 0.00 0.00 179.25 179.34 3h5d n HIS 40 N -3.52 3.51 -1.08 0.00 8.25 0.04 -4.97 115.22 117.45 3h5d n HIS 40 Ca -0.02 -3.58 -0.03 0.00 -0.26 0.00 0.00 57.72 53.83 3h5d n HIS 40 Cb 0.14 -0.31 -0.01 0.00 1.12 0.00 0.00 29.99 30.93 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 -0.32 0.00 -2.11 4.41 8.25 -1.16 -4.49 115.22 119.81 3h5d n HIS 41 Ca 0.33 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.36 3h5d n HIS 41 Cb 0.53 -1.85 -0.02 0.00 1.12 0.00 0.00 29.99 29.77 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 -1.41 3.61 -0.22 1.59 2.01 -0.92 -4.47 115.64 115.84 3h5d s THR 42 Ca 0.00 0.63 0.14 0.00 0.31 0.00 0.00 61.69 62.78 3h5d s THR 42 Cb 0.00 -3.80 0.54 0.00 0.01 0.00 0.00 72.50 69.24 3h5d s THR 42 CO 0.00 -0.50 1.46 -0.90 -0.69 0.00 0.00 174.62 173.99 3h5d n ASP 43 N 9.69 3.59 -3.61 3.53 5.68 -0.65 -4.40 116.55 130.39 3h5d n ASP 43 Ca 0.21 -3.21 -0.02 0.00 -0.50 0.00 0.00 54.79 51.27 3h5d n ASP 43 Cb 0.47 -0.58 -0.01 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 -2.03 -0.31 -0.18 6.12 0.00 -1.22 -4.22 107.32 105.47 3h5d s GLY 44 Ca 0.44 1.45 -0.07 0.00 0.00 0.00 0.00 44.72 46.54 3h5d s GLY 44 CO 0.07 0.45 0.39 -0.42 0.00 0.00 0.00 173.10 173.58 3h5d s ILE 45 N -2.27 -0.56 -0.19 0.90 1.01 -0.46 -2.29 121.20 117.34 3h5d s ILE 45 Ca 0.12 0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.76 3h5d s ILE 45 Cb 0.01 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 3h5d s ILE 45 CO -0.04 0.08 0.57 -0.22 0.00 0.00 0.00 174.94 175.33 3h5d s LEU 46 N 2.49 4.16 -0.21 2.97 2.96 0.69 0.10 118.68 131.85 3h5d s LEU 46 Ca -0.02 0.77 -0.09 0.00 -0.22 0.00 0.00 54.13 54.57 3h5d s LEU 46 Cb -0.12 -2.80 -0.05 0.00 0.50 0.00 0.00 46.19 43.73 3h5d s LEU 46 CO -0.12 -0.20 0.12 -0.76 -1.32 0.00 0.00 176.35 174.07 3h5d s LEU 47 N 1.63 4.06 -0.81 -0.68 1.43 0.29 -2.17 118.68 122.44 3h5d s LEU 47 Ca 0.27 0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.49 3h5d s LEU 47 Cb -0.16 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 3h5d s LEU 47 CO 0.10 0.14 0.70 0.00 0.23 0.00 0.00 176.35 177.52 3h5d n ALA 48 N 3.75 -1.80 -1.87 4.21 0.00 -1.26 -0.99 120.51 122.55 3h5d n ALA 48 Ca -0.16 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3h5d n ALA 48 Cb 0.52 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.42 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 -1.23 1.64 0.18 0.00 0.00 -1.26 -3.85 105.19 100.67 3h5d n GLY 49 Ca -0.11 -1.95 -0.05 0.00 0.00 0.00 0.00 46.02 43.92 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 0.00 0.86 0.00 2.61 2.02 -1.96 -2.96 112.91 113.48 3h5d h THR 50 Ca 0.00 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3h5d h THR 50 Cb 0.00 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3h5d h THR 50 CO 0.00 0.06 -0.07 0.74 0.37 0.00 0.00 175.52 176.61 3h5d h THR 51 N 0.32 0.25 -0.23 3.16 2.02 -1.84 0.18 112.91 116.77 3h5d h THR 51 Ca 0.20 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3h5d h THR 51 Cb 0.20 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3h5d h THR 51 CO -0.21 0.07 0.00 0.00 0.37 0.00 0.00 175.52 175.75 3h5d n ALA 52 N -2.16 2.49 -3.02 6.16 0.00 -1.12 -4.26 120.51 118.59 3h5d n ALA 52 Ca -0.01 -0.48 -0.22 0.00 0.00 0.00 0.00 53.44 52.73 3h5d n ALA 52 Cb 0.27 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 18.72 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 0.24 -4.96 -0.35 0.00 1.02 0.05 -4.23 120.64 112.42 3h5d n GLU 53 Ca 0.12 0.90 0.25 0.00 -0.02 0.00 0.00 57.16 58.41 3h5d n GLU 53 Cb 0.25 -5.74 0.51 0.00 -0.02 0.00 0.00 31.44 26.44 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 -1.42 0.45 -0.28 1.62 4.64 -1.68 0.16 113.55 117.04 3h5d h SER 54 Ca -0.53 0.13 0.08 0.00 -0.47 0.00 0.00 61.79 61.00 3h5d h SER 54 Cb 1.36 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 3h5d h SER 54 CO 0.56 -0.02 0.56 -0.65 -0.87 0.00 0.00 176.83 176.42 3h5d h PRO 55 N 0.34 0.00 0.00 4.77 0.11 -1.89 -1.83 132.00 133.50 3h5d h PRO 55 Ca 0.68 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.59 3h5d h PRO 55 Cb 1.73 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.80 3h5d h PRO 55 CO -0.42 0.00 -1.94 0.25 -0.21 0.00 0.00 178.00 175.68 3h5d n THR 56 N -3.19 0.77 -1.95 -1.15 -2.24 0.54 -4.96 114.28 102.10 3h5d n THR 56 Ca 0.05 -0.56 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 3h5d n THR 56 Cb 0.68 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 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 -4.85 4.37 0.55 3.22 1.02 -0.69 -5.03 118.68 117.28 3h5d s LEU 57 Ca -0.07 2.80 -0.05 0.00 0.02 0.00 0.00 54.13 56.84 3h5d s LEU 57 Cb 0.06 -3.64 -0.00 0.00 0.02 0.00 0.00 46.19 42.62 3h5d s LEU 57 CO 0.61 -0.74 0.85 0.42 0.02 0.00 0.00 176.35 177.51 3h5d s THR 58 N -0.50 3.95 0.09 5.49 -4.23 -1.26 -4.88 115.64 114.30 3h5d s THR 58 Ca 0.56 -0.03 -0.22 0.00 -1.18 0.00 0.00 61.69 60.83 3h5d s THR 58 Cb -0.43 -3.54 -0.07 0.00 1.34 0.00 0.00 72.50 69.80 3h5d s THR 58 CO 0.50 -0.52 1.36 -0.74 -0.54 0.00 0.00 174.62 174.68 3h5d h HIS 59 N -0.02 -1.14 -0.05 3.99 -0.00 -1.97 0.20 115.15 116.16 3h5d h HIS 59 Ca -0.46 0.06 0.04 0.00 -0.00 0.00 0.00 60.37 60.01 3h5d h HIS 59 Cb 1.25 0.53 -0.05 0.00 -0.00 0.00 0.00 27.41 29.14 3h5d h HIS 59 CO 0.49 -0.32 -0.29 -0.44 -0.00 0.00 0.00 177.93 177.38 3h5d h ASP 60 N -0.25 -0.87 -0.94 3.26 3.45 -1.99 -0.75 116.42 118.34 3h5d h ASP 60 Ca 0.05 0.12 0.27 0.00 0.43 0.00 0.00 57.03 57.91 3h5d h ASP 60 Cb 0.38 0.36 -0.04 0.00 -0.56 0.00 0.00 39.33 39.48 3h5d h ASP 60 CO -0.41 -0.34 0.72 -0.33 -1.57 0.00 0.00 179.24 177.31 3h5d h GLU 61 N -0.40 0.00 0.02 3.56 5.08 -1.82 0.68 114.58 121.70 3h5d h GLU 61 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3h5d h GLU 61 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3h5d h GLU 61 CO -0.28 0.00 -0.01 1.49 -1.00 0.00 0.00 179.01 179.21 3h5d h GLU 62 N 0.00 -0.02 -0.41 2.33 4.81 0.73 -2.37 114.58 119.64 3h5d h GLU 62 Ca 0.45 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.67 3h5d h GLU 62 Cb 1.89 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.25 3h5d h GLU 62 CO -0.00 0.74 0.21 -0.07 -0.73 0.00 0.00 179.01 179.15 3h5d h LEU 63 N -0.91 0.50 -1.08 1.64 3.38 0.27 0.42 115.31 119.55 3h5d h LEU 63 Ca -0.00 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3h5d h LEU 63 Cb 0.77 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3h5d h LEU 63 CO 0.00 0.43 0.02 -0.33 0.09 0.00 0.00 178.44 178.65 3h5d h GLU 64 N 0.57 0.68 -0.06 1.13 5.08 0.22 -1.66 114.58 120.54 3h5d h GLU 64 Ca 0.15 -0.16 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 3h5d h GLU 64 Cb 0.05 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3h5d h GLU 64 CO -0.02 0.68 -0.79 -0.07 -1.00 0.00 0.00 179.01 177.80 3h5d h LEU 65 N 0.64 0.54 -0.70 1.33 4.07 -0.60 -1.51 115.31 119.08 3h5d h LEU 65 Ca 0.13 -0.38 -0.01 0.00 0.08 0.00 0.00 57.88 57.71 3h5d h LEU 65 Cb 0.37 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 3h5d h LEU 65 CO 0.01 1.14 0.41 -0.26 -1.08 0.00 0.00 178.44 178.65 3h5d h PHE 66 N 0.29 0.94 0.09 1.13 0.04 0.24 -2.55 116.94 117.12 3h5d h PHE 66 Ca -0.05 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 3h5d h PHE 66 Cb 1.39 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 39.24 3h5d h PHE 66 CO 0.05 0.65 -0.04 0.00 -0.60 0.00 0.00 178.31 178.37 3h5d h ALA 67 N 1.21 -0.12 -0.20 2.45 0.00 -1.33 -1.58 119.26 119.68 3h5d h ALA 67 Ca 0.25 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3h5d h ALA 67 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3h5d h ALA 67 CO -0.04 -0.29 0.21 0.00 0.00 0.00 0.00 179.25 179.12 3h5d h ALA 68 N 0.12 1.88 0.10 0.00 0.00 -1.26 0.87 119.26 120.96 3h5d h ALA 68 Ca -0.01 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.53 3h5d h ALA 68 Cb 0.54 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3h5d h ALA 68 CO 0.02 -0.31 -2.04 0.28 0.00 0.00 0.00 179.25 177.20 3h5d n VAL 69 N -3.90 1.72 0.01 0.00 0.31 -0.96 -3.70 118.33 111.82 3h5d n VAL 69 Ca 0.02 -0.61 0.08 0.00 -0.01 0.00 0.00 64.34 63.83 3h5d n VAL 69 Cb 0.34 -1.71 0.50 0.00 -0.91 0.00 0.00 33.84 32.06 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 -0.01 0.37 0.71 5.55 4.20 -0.23 0.37 115.11 126.07 3h5d h GLN 70 Ca -0.45 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.20 3h5d h GLN 70 Cb 1.97 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 29.67 3h5d h GLN 70 CO 0.04 0.24 -0.34 -0.22 -0.67 0.00 0.00 178.83 177.88 3h5d h LYS 71 N 0.38 -0.91 0.65 1.46 3.64 -1.02 -3.33 116.57 117.45 3h5d h LYS 71 Ca 0.18 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3h5d h LYS 71 Cb 0.22 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3h5d h LYS 71 CO -0.04 -0.61 -0.49 0.28 -2.27 0.00 0.00 179.45 176.32 3h5d h VAL 72 N -1.16 0.00 -1.20 2.00 2.07 -1.58 -3.26 116.25 113.12 3h5d h VAL 72 Ca -0.10 0.00 -0.39 0.00 0.82 0.00 0.00 66.70 67.03 3h5d h VAL 72 Cb 0.73 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3h5d h VAL 72 CO 0.16 0.00 1.00 -0.69 0.02 0.00 0.00 177.57 178.05 3h5d s VAL 73 N -5.80 3.46 -0.96 2.57 1.01 0.13 -4.74 120.40 116.07 3h5d s VAL 73 Ca -0.18 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3h5d s VAL 73 Cb 0.03 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3h5d s VAL 73 CO 0.58 -1.04 0.32 -3.20 0.00 0.00 0.00 175.10 171.77 3h5d n ASN 74 N 13.07 0.67 0.00 3.32 5.15 -1.23 -4.46 115.26 131.78 3h5d n ASN 74 Ca 0.32 -1.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.06 3h5d n ASN 74 Cb 0.49 -0.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 3h5d n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h5d n GLY 75 N 0.21 1.58 0.09 8.20 0.00 -1.26 -5.01 105.19 108.99 3h5d n GLY 75 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.16 -5.89 1.61 -0.00 -1.92 -3.45 114.38 104.89 3h5d h ARG 76 Ca 0.00 -0.04 -0.53 0.00 -0.50 0.00 0.00 59.98 58.91 3h5d h ARG 76 Cb 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 29.97 29.81 3h5d h ARG 76 CO 0.00 0.34 -0.75 0.14 0.00 0.00 0.00 179.97 179.70 3h5d s VAL 77 N -5.29 2.10 0.37 2.04 -7.23 -1.26 -5.04 120.40 106.09 3h5d s VAL 77 Ca -0.14 -2.30 -0.28 0.00 -1.81 0.00 0.00 61.98 57.45 3h5d s VAL 77 Cb 0.05 -2.16 -0.11 0.00 0.56 0.00 0.00 36.38 34.72 3h5d s VAL 77 CO 0.69 -0.49 1.49 -2.65 -0.31 0.00 0.00 175.10 173.83 3h5d n PRO 78 N -0.47 2.66 -5.07 4.82 -0.02 -1.26 -4.88 135.00 130.79 3h5d n PRO 78 Ca -0.07 0.93 -0.32 0.00 -2.02 0.00 0.00 63.50 62.03 3h5d n PRO 78 Cb 0.60 -2.66 -0.15 0.00 -0.02 0.00 0.00 33.50 31.27 3h5d n PRO 78 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3h5d s LEU 79 N -1.95 2.39 -0.10 2.45 1.43 -1.26 -1.36 118.68 120.29 3h5d s LEU 79 Ca 0.54 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 53.25 3h5d s LEU 79 Cb -0.48 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 3h5d s LEU 79 CO 0.63 0.28 -0.04 -0.63 0.23 0.00 0.00 176.35 176.82 3h5d s ILE 80 N -0.33 3.96 -0.12 -0.59 -1.09 0.29 -1.24 121.20 122.09 3h5d s ILE 80 Ca 0.02 -0.37 -0.04 0.00 -2.23 0.00 0.00 60.65 58.04 3h5d s ILE 80 Cb -0.13 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 3h5d s ILE 80 CO 0.02 0.57 0.02 0.00 -1.23 0.00 0.00 174.94 174.33 3h5d s ALA 81 N -0.54 3.31 -0.09 9.38 0.00 -0.91 0.11 121.76 133.02 3h5d s ALA 81 Ca 0.09 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 3h5d s ALA 81 Cb -0.12 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 3h5d s ALA 81 CO 0.02 0.46 1.24 0.20 0.00 0.00 0.00 175.76 177.68 3h5d s GLY 82 N -0.48 1.94 0.00 0.00 0.00 -0.16 0.07 107.32 108.69 3h5d s GLY 82 Ca 0.09 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.39 3h5d s GLY 82 CO 0.02 2.33 0.00 3.33 0.00 0.00 0.00 173.10 178.78 3h5d n VAL 83 N 4.87 0.00 -3.00 1.40 0.24 -0.52 -4.88 118.33 116.44 3h5d n VAL 83 Ca 0.12 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.03 3h5d n VAL 83 Cb 0.46 -0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 32.51 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 -1.93 2.89 0.24 7.63 0.00 -0.78 -4.62 107.32 110.74 3h5d s GLY 84 Ca 0.00 0.33 0.04 0.00 0.00 0.00 0.00 44.72 45.09 3h5d s GLY 84 CO 0.00 0.87 0.15 -0.37 0.00 0.00 0.00 173.10 173.76 3h5d n THR 85 N 1.76 0.00 1.54 0.90 5.66 -1.26 -4.34 114.28 118.55 3h5d n THR 85 Ca -0.06 -1.60 0.12 0.00 -3.05 0.00 0.00 64.05 59.47 3h5d n THR 85 Cb 0.49 0.71 0.52 0.00 -1.55 0.00 0.00 70.33 70.51 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 -1.97 1.10 -4.28 1.09 6.94 -1.26 -4.56 115.26 112.32 3h5d n ASN 86 Ca 0.02 -1.51 -0.35 0.00 -0.02 0.00 0.00 54.58 52.72 3h5d n ASN 86 Cb 0.40 -0.04 -0.14 0.00 -2.36 0.00 0.00 39.78 37.64 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 -1.75 4.19 0.18 0.53 -1.08 -1.26 -4.88 116.67 112.60 3h5d s ASP 87 Ca 0.35 -0.45 -0.13 0.00 -0.52 0.00 0.00 52.55 51.80 3h5d s ASP 87 Cb 0.18 -1.71 0.08 0.00 -1.46 0.00 0.00 42.92 40.01 3h5d s ASP 87 CO 0.29 -0.03 1.79 0.74 0.52 0.00 0.00 175.17 178.48 3h5d h THR 88 N 5.76 1.19 0.19 1.71 2.02 -1.93 -1.92 112.91 119.93 3h5d h THR 88 Ca -0.41 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 3h5d h THR 88 Cb 1.15 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 3h5d h THR 88 CO 0.61 0.20 -0.32 -0.09 0.37 0.00 0.00 175.52 176.28 3h5d h ARG 89 N 0.78 -0.53 -1.09 6.66 9.65 -1.96 0.32 114.38 128.22 3h5d h ARG 89 Ca 0.21 0.04 0.30 0.00 -1.10 0.00 0.00 59.98 59.42 3h5d h ARG 89 Cb 0.03 0.12 -0.10 0.00 -1.39 0.00 0.00 29.97 28.63 3h5d h ARG 89 CO -0.03 -0.35 0.70 -0.44 2.80 0.00 0.00 179.97 182.64 3h5d h ASP 90 N -0.55 0.42 -0.28 -3.80 5.19 -1.98 0.21 116.42 115.63 3h5d h ASP 90 Ca -0.02 0.10 -0.17 0.00 -0.62 0.00 0.00 57.03 56.32 3h5d h ASP 90 Cb 0.51 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.06 3h5d h ASP 90 CO -0.11 0.02 -0.50 0.28 -3.12 0.00 0.00 179.24 175.81 3h5d h SER 91 N 0.34 0.92 0.50 6.45 0.02 -0.50 -1.11 113.55 120.18 3h5d h SER 91 Ca 0.65 -0.53 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 3h5d h SER 91 Cb 1.71 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.98 3h5d h SER 91 CO -0.34 1.28 -0.31 0.40 -1.14 0.00 0.00 176.83 176.72 3h5d h ILE 92 N 0.60 0.98 0.01 3.27 2.04 0.26 -2.22 117.51 122.45 3h5d h ILE 92 Ca 0.02 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.68 3h5d h ILE 92 Cb 1.10 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 3h5d h ILE 92 CO 0.11 0.30 -0.18 -0.33 0.00 0.00 0.00 178.15 178.06 3h5d h GLU 93 N 0.00 0.10 -0.70 2.37 4.39 -0.84 -3.22 114.58 116.68 3h5d h GLU 93 Ca -0.00 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 3h5d h GLU 93 Cb 0.64 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 3h5d h GLU 93 CO 0.04 0.93 0.30 0.35 -1.16 0.00 0.00 179.01 179.47 3h5d h PHE 94 N -0.67 1.05 0.00 4.33 3.57 -1.06 -1.54 116.94 122.62 3h5d h PHE 94 Ca -0.03 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 3h5d h PHE 94 Cb 1.00 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 3h5d h PHE 94 CO 0.21 0.80 -0.05 -0.24 -2.23 0.00 0.00 178.31 176.80 3h5d h VAL 95 N 0.99 0.16 0.06 1.41 3.04 -1.56 0.98 116.25 121.34 3h5d h VAL 95 Ca 0.24 -0.56 -0.00 0.00 -1.01 0.00 0.00 66.70 65.36 3h5d h VAL 95 Cb 0.19 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 3h5d h VAL 95 CO -0.02 0.05 -0.03 0.11 -1.01 0.00 0.00 177.57 176.67 3h5d h LYS 96 N 0.00 -0.08 0.25 4.17 1.79 -1.33 -0.95 116.57 120.42 3h5d h LYS 96 Ca -0.00 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3h5d h LYS 96 Cb 0.48 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.11 3h5d h LYS 96 CO 0.01 0.36 -0.47 0.93 -1.08 0.00 0.00 179.45 179.20 3h5d h GLU 97 N -0.55 -0.76 -0.02 3.15 5.08 -0.80 -1.65 114.58 119.03 3h5d h GLU 97 Ca -0.01 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3h5d h GLU 97 Cb 0.48 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 3h5d h GLU 97 CO 0.01 -0.51 0.01 0.28 -1.00 0.00 0.00 179.01 177.81 3h5d h VAL 98 N -0.79 0.95 -0.55 3.13 2.07 -0.88 0.77 116.25 120.95 3h5d h VAL 98 Ca -0.01 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.39 3h5d h VAL 98 Cb 0.76 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3h5d h VAL 98 CO -0.19 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.30 3h5d h ALA 99 N 1.99 0.75 -0.23 1.67 0.00 -0.88 0.10 119.26 122.66 3h5d h ALA 99 Ca 0.01 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 3h5d h ALA 99 Cb 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3h5d h ALA 99 CO -0.00 0.66 -0.42 0.93 0.00 0.00 0.00 179.25 180.42 3h5d h GLU 100 N 0.91 0.70 -0.96 0.00 5.08 0.10 -3.02 114.58 117.39 3h5d h GLU 100 Ca 0.14 -0.44 0.08 0.00 -1.00 0.00 0.00 59.36 58.14 3h5d h GLU 100 Cb 0.67 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.90 3h5d h GLU 100 CO 0.05 1.06 0.61 0.35 -1.00 0.00 0.00 179.01 180.07 3h5d h PHE 101 N 0.41 1.12 -3.04 4.33 3.04 0.49 -3.48 116.94 119.81 3h5d h PHE 101 Ca 0.01 0.03 0.36 0.00 3.98 0.00 0.00 57.97 62.36 3h5d h PHE 101 Cb 1.02 -0.36 -0.09 0.00 2.56 0.00 0.00 35.95 39.07 3h5d h PHE 101 CO 0.08 0.54 -0.48 0.41 -2.02 0.00 0.00 178.31 176.84 3h5d n GLY 102 N -1.35 -1.89 1.64 2.40 0.00 0.35 -4.90 105.19 101.44 3h5d n GLY 102 Ca 0.15 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.98 1.85 3.70 -0.02 0.00 -1.26 -4.99 105.19 100.50 3h5d n GLY 103 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.41 3.36 0.22 1.61 0.08 -1.26 -4.59 117.98 114.98 3h5d s PHE 104 Ca 0.00 0.24 0.17 0.00 0.12 0.00 0.00 56.93 57.46 3h5d s PHE 104 Cb 0.00 -2.10 0.63 0.00 -0.57 0.00 0.00 43.02 40.99 3h5d s PHE 104 CO 0.00 0.28 1.72 0.00 -0.10 0.00 0.00 175.22 177.12 3h5d h ALA 105 N 6.49 1.03 -2.22 5.36 0.00 -1.56 -3.43 119.26 124.92 3h5d h ALA 105 Ca -0.41 -0.38 0.17 0.00 0.00 0.00 0.00 54.91 54.29 3h5d h ALA 105 Cb 1.16 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.78 3h5d h ALA 105 CO 0.72 0.53 0.52 0.00 0.00 0.00 0.00 179.25 181.02 3h5d s ALA 106 N -3.67 -1.76 0.02 0.00 0.00 -1.24 0.34 121.76 115.44 3h5d s ALA 106 Ca -0.01 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.46 3h5d s ALA 106 Cb 0.12 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 3h5d s ALA 106 CO 0.70 -0.93 -0.06 0.20 0.00 0.00 0.00 175.76 175.67 3h5d s GLY 107 N -2.79 1.77 -0.20 0.00 0.00 0.14 -2.14 107.32 104.10 3h5d s GLY 107 Ca 0.10 -1.04 -0.08 0.00 0.00 0.00 0.00 44.72 43.70 3h5d s GLY 107 CO -0.02 -0.92 0.08 -2.27 0.00 0.00 0.00 173.10 169.98 3h5d s LEU 108 N -1.54 3.87 -0.14 0.66 2.96 0.11 -0.22 118.68 124.38 3h5d s LEU 108 Ca 0.18 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 3h5d s LEU 108 Cb -0.11 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.61 3h5d s LEU 108 CO 0.09 0.14 -0.13 0.00 -1.32 0.00 0.00 176.35 175.13 3h5d s ALA 109 N 0.57 1.77 0.39 5.97 0.00 -0.64 -1.44 121.76 128.38 3h5d s ALA 109 Ca 0.04 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 3h5d s ALA 109 Cb -0.13 -1.02 -0.10 0.00 0.00 0.00 0.00 23.12 21.87 3h5d s ALA 109 CO 0.01 -0.38 0.96 -1.50 0.00 0.00 0.00 175.76 174.85 3h5d s ILE 110 N 1.51 4.22 0.19 0.00 2.07 -1.26 -1.23 121.20 126.71 3h5d s ILE 110 Ca 0.05 1.56 -0.31 0.00 -1.41 0.00 0.00 60.65 60.54 3h5d s ILE 110 Cb -0.13 -3.74 -0.09 0.00 0.13 0.00 0.00 42.46 38.63 3h5d s ILE 110 CO -0.10 -0.13 1.45 0.68 -1.91 0.00 0.00 174.94 174.93 3h5d s VAL 111 N -1.93 2.84 0.19 4.00 -7.23 -0.91 -4.65 120.40 112.71 3h5d s VAL 111 Ca 0.58 0.65 -0.31 0.00 -1.81 0.00 0.00 61.98 61.10 3h5d s VAL 111 Cb -0.14 -3.42 -0.16 0.00 0.56 0.00 0.00 36.38 33.22 3h5d s VAL 111 CO 0.18 0.08 0.88 -2.65 -0.31 0.00 0.00 175.10 173.29 3h5d n PRO 112 N 3.12 0.66 -3.27 4.82 -0.02 -1.26 -4.93 135.00 134.11 3h5d n PRO 112 Ca 0.09 0.23 -0.21 0.00 -2.02 0.00 0.00 63.50 61.60 3h5d n PRO 112 Cb 0.40 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 -0.68 3.19 0.00 6.00 1.13 -1.26 -4.38 117.35 121.35 3h5d s TYR 113 Ca 0.68 0.01 0.00 0.00 -1.41 0.00 0.00 57.07 56.36 3h5d s TYR 113 Cb -0.89 -2.12 0.00 0.00 -1.10 0.00 0.00 41.96 37.85 3h5d s TYR 113 CO 0.56 -0.15 0.00 0.98 -2.51 0.00 0.00 175.55 174.43 3h5d n TYR 114 N -1.84 0.00 0.07 -3.49 9.36 -1.26 -4.43 117.16 115.58 3h5d n TYR 114 Ca -0.00 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.31 3h5d n TYR 114 Cb 0.58 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.24 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 1.20 0.69 -3.19 2.98 0.23 -1.26 -5.03 115.26 110.87 3h5d n ASN 115 Ca 0.00 0.27 -0.06 0.00 -0.53 0.00 0.00 54.58 54.27 3h5d n ASN 115 Cb 0.00 0.69 0.01 0.00 -2.08 0.00 0.00 39.78 38.39 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 -2.64 -1.42 -1.25 -3.83 5.02 -1.26 -4.95 118.16 107.83 3h5d n LYS 116 Ca -0.03 1.31 -0.32 0.00 -2.02 0.00 0.00 58.31 57.25 3h5d n LYS 116 Cb 0.61 -5.26 0.10 0.00 -0.02 0.00 0.00 35.03 30.46 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 -3.48 1.98 1.08 1.97 0.02 -1.26 -5.04 135.00 130.28 3h5d s PRO 117 Ca 0.06 1.49 -0.17 0.00 0.02 0.00 0.00 61.00 62.40 3h5d s PRO 117 Cb -0.01 -1.84 0.23 0.00 0.02 0.00 0.00 34.50 32.90 3h5d s PRO 117 CO 0.77 -1.90 1.16 -1.54 -0.33 0.00 0.00 177.00 175.16 3h5d s SER 118 N -2.64 2.00 0.38 2.53 1.04 -1.26 -4.80 113.70 110.94 3h5d s SER 118 Ca 0.68 0.67 0.05 0.00 0.48 0.00 0.00 55.95 57.83 3h5d s SER 118 Cb -0.23 -0.98 0.75 0.00 0.10 0.00 0.00 66.02 65.66 3h5d s SER 118 CO 0.51 -3.46 2.00 1.56 0.98 0.00 0.00 173.24 174.83 3h5d h GLN 119 N -2.13 0.60 -0.07 4.02 1.08 -1.96 -1.77 115.11 114.88 3h5d h GLN 119 Ca -0.47 -0.06 -0.24 0.00 -1.45 0.00 0.00 58.65 56.43 3h5d h GLN 119 Cb 1.29 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 28.61 3h5d h GLN 119 CO 0.42 0.45 -0.90 1.49 -0.95 0.00 0.00 178.83 179.34 3h5d h GLU 120 N 0.60 0.69 -0.72 1.46 4.57 -1.99 -2.35 114.58 116.85 3h5d h GLU 120 Ca 0.16 -0.65 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3h5d h GLU 120 Cb 0.03 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 3h5d h GLU 120 CO -0.02 1.25 0.46 0.78 -1.18 0.00 0.00 179.01 180.30 3h5d h GLY 121 N 0.63 1.02 2.00 1.92 0.00 -1.77 0.23 103.07 107.10 3h5d h GLY 121 Ca -0.09 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 3h5d h GLY 121 CO 0.18 0.38 -0.28 -0.33 0.00 0.00 0.00 176.54 176.49 3h5d h MET 122 N 0.98 0.00 0.03 4.80 2.86 -1.25 -2.42 114.93 119.93 3h5d h MET 122 Ca 0.26 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.84 3h5d h MET 122 Cb -0.09 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.58 3h5d h MET 122 CO -0.05 0.28 -0.24 -0.92 1.06 0.00 0.00 176.91 177.03 3h5d h TYR 123 N 0.00 0.19 -0.04 -0.22 3.20 -0.03 -2.70 116.97 117.38 3h5d h TYR 123 Ca -0.00 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.69 3h5d h TYR 123 Cb 0.63 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3h5d h TYR 123 CO 0.00 1.02 -0.22 1.96 -1.64 0.00 0.00 178.16 179.27 3h5d h GLN 124 N -0.69 0.06 0.40 1.82 4.20 -1.38 0.83 115.11 120.35 3h5d h GLN 124 Ca -0.04 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3h5d h GLN 124 Cb 1.11 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.88 3h5d h GLN 124 CO 0.05 0.29 -0.19 1.25 -0.67 0.00 0.00 178.83 179.55 3h5d h HIS 125 N 0.06 -0.50 0.04 2.96 2.76 -1.47 -1.71 115.15 117.28 3h5d h HIS 125 Ca 0.01 -0.01 -0.22 0.00 -2.20 0.00 0.00 60.37 57.94 3h5d h HIS 125 Cb 0.43 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 3h5d h HIS 125 CO 0.00 -0.23 -1.00 0.74 -1.30 0.00 0.00 177.93 176.15 3h5d h PHE 126 N -0.70 0.37 -0.10 5.26 0.04 -1.34 -2.20 116.94 118.28 3h5d h PHE 126 Ca -0.06 -0.23 -0.00 0.00 2.80 0.00 0.00 57.97 60.48 3h5d h PHE 126 Cb 0.50 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.61 3h5d h PHE 126 CO -0.01 1.09 0.05 -0.22 -0.60 0.00 0.00 178.31 178.62 3h5d h LYS 127 N 0.11 0.14 0.00 1.51 3.64 -0.92 0.11 116.57 121.16 3h5d h LYS 127 Ca -0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3h5d h LYS 127 Cb 1.67 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 3h5d h LYS 127 CO 0.16 0.19 0.00 0.00 -2.27 0.00 0.00 179.45 177.53 3h5d n ALA 128 N -2.17 -0.22 -0.31 5.00 0.00 -0.64 -0.12 120.51 122.04 3h5d n ALA 128 Ca -0.05 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.54 3h5d n ALA 128 Cb 0.08 0.24 0.32 0.00 0.00 0.00 0.00 19.45 20.09 3h5d n ALA 128 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3h5d h ILE 129 N 0.00 0.19 0.00 0.00 2.04 -1.36 0.50 117.51 118.88 3h5d h ILE 129 Ca 0.00 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 3h5d h ILE 129 Cb 0.00 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 3h5d h ILE 129 CO 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 178.15 177.87 3h5d h ALA 130 N 1.87 1.20 0.00 1.87 0.00 -0.48 -3.11 119.26 120.60 3h5d h ALA 130 Ca 0.60 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 55.03 3h5d h ALA 130 Cb 1.27 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3h5d h ALA 130 CO -0.75 0.37 -0.98 -0.44 0.00 0.00 0.00 179.25 177.45 3h5d h ASP 131 N 0.00 0.00 -0.43 0.00 3.32 0.35 -3.39 116.42 116.27 3h5d h ASP 131 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h5d h ASP 131 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3h5d h ASP 131 CO 0.04 0.98 0.00 0.00 -1.72 0.00 0.00 179.24 178.54 3h5d n ALA 132 N -2.35 2.43 -3.47 3.45 0.00 -0.80 -4.95 120.51 114.83 3h5d n ALA 132 Ca -0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 53.44 52.57 3h5d n ALA 132 Cb 0.92 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.05 -0.41 0.47 0.00 0.15 -1.26 -4.70 113.70 106.89 3h5d s SER 133 Ca 0.30 -0.26 0.27 0.00 0.70 0.00 0.00 55.95 56.96 3h5d s SER 133 Cb 0.16 0.62 0.97 0.00 -1.71 0.00 0.00 66.02 66.06 3h5d s SER 133 CO 0.21 -1.06 1.84 0.44 1.20 0.00 0.00 173.24 175.87 3h5d h ASP 134 N 2.07 0.00 -3.45 5.45 5.19 -1.92 -3.44 116.42 120.31 3h5d h ASP 134 Ca -0.30 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.55 3h5d h ASP 134 Cb 1.28 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.73 3h5d h ASP 134 CO 0.35 0.14 0.91 -0.22 -3.12 0.00 0.00 179.24 177.31 3h5d s LEU 135 N -6.51 3.77 0.61 1.55 2.96 -1.26 -5.01 118.68 114.79 3h5d s LEU 135 Ca 0.02 0.81 -0.19 0.00 -0.22 0.00 0.00 54.13 54.55 3h5d s LEU 135 Cb 0.09 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 3h5d s LEU 135 CO 0.61 -1.11 1.25 -2.65 -1.32 0.00 0.00 176.35 173.14 3h5d n PRO 136 N 7.43 1.22 -4.73 0.98 -0.02 -1.26 -4.64 135.00 133.98 3h5d n PRO 136 Ca 0.13 0.47 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 3h5d n PRO 136 Cb 0.48 -2.48 -0.12 0.00 -0.02 0.00 0.00 33.50 31.36 3h5d n PRO 136 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h5d s ILE 137 N -1.38 3.43 -0.15 4.25 -1.09 0.52 0.27 121.20 127.05 3h5d s ILE 137 Ca 0.79 -0.58 0.02 0.00 -2.23 0.00 0.00 60.65 58.65 3h5d s ILE 137 Cb -0.40 -2.39 0.01 0.00 -1.58 0.00 0.00 42.46 38.11 3h5d s ILE 137 CO 0.44 0.59 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.89 3h5d s ILE 138 N -0.67 2.04 0.16 2.92 1.01 0.69 -0.96 121.20 126.39 3h5d s ILE 138 Ca 0.10 -0.96 -0.21 0.00 0.00 0.00 0.00 60.65 59.58 3h5d s ILE 138 Cb -0.11 -1.81 -0.08 0.00 0.01 0.00 0.00 42.46 40.47 3h5d s ILE 138 CO 0.01 0.54 0.69 -0.63 0.00 0.00 0.00 174.94 175.56 3h5d s ILE 139 N 0.90 4.56 -0.44 2.92 1.01 0.19 -1.62 121.20 128.73 3h5d s ILE 139 Ca -0.05 1.38 -0.02 0.00 0.00 0.00 0.00 60.65 61.97 3h5d s ILE 139 Cb -0.15 -3.96 0.12 0.00 0.01 0.00 0.00 42.46 38.48 3h5d s ILE 139 CO -0.04 0.42 0.22 -0.47 0.00 0.00 0.00 174.94 175.07 3h5d s TYR 140 N -1.27 3.57 -0.54 3.97 5.04 -0.36 0.17 117.35 127.94 3h5d s TYR 140 Ca 0.36 -2.57 -0.19 0.00 -2.44 0.00 0.00 57.07 52.23 3h5d s TYR 140 Cb -0.20 -3.17 0.07 0.00 0.35 0.00 0.00 41.96 39.02 3h5d s TYR 140 CO 0.22 -0.94 0.67 1.21 -1.34 0.00 0.00 175.55 175.36 3h5d s ASN 141 N 1.46 6.21 -0.40 4.32 2.47 0.16 -2.15 114.94 127.00 3h5d s ASN 141 Ca 0.10 -1.04 0.04 0.00 0.42 0.00 0.00 52.86 52.38 3h5d s ASN 141 Cb -0.22 -2.30 0.17 0.00 -1.45 0.00 0.00 41.25 37.44 3h5d s ASN 141 CO -0.04 -0.98 0.33 -0.51 -3.72 0.00 0.00 177.10 172.18 3h5d s ILE 142 N 2.73 0.29 0.57 -5.21 2.07 -1.26 -1.02 121.20 119.36 3h5d s ILE 142 Ca 0.15 -2.50 0.27 0.00 -1.41 0.00 0.00 60.65 57.15 3h5d s ILE 142 Cb -0.20 -1.21 0.37 0.00 0.13 0.00 0.00 42.46 41.54 3h5d s ILE 142 CO 0.10 -1.19 2.03 -0.65 -1.91 0.00 0.00 174.94 173.32 3h5d h PRO 143 N 5.80 0.00 0.00 3.50 0.11 -1.74 -0.09 132.00 139.58 3h5d h PRO 143 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3h5d h PRO 143 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3h5d h PRO 143 CO 0.35 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.92 3h5d h GLY 144 N 0.00 0.00 0.00 -0.55 0.00 -1.87 -1.71 103.07 98.94 3h5d h GLY 144 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3h5d h GLY 144 CO -0.00 0.00 -0.90 0.54 0.00 0.00 0.00 176.54 176.18 3h5d n ARG 145 N -2.56 1.89 -0.02 4.80 1.74 -0.21 -4.84 116.66 117.46 3h5d n ARG 145 Ca -0.00 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.09 3h5d n ARG 145 Cb 0.15 -0.95 0.03 0.00 -1.02 0.00 0.00 32.46 30.67 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 -1.57 0.39 0.00 1.55 0.31 -0.24 -4.90 118.33 113.88 3h5d n VAL 146 Ca 0.00 -0.70 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 3h5d n VAL 146 Cb 0.19 0.85 0.00 0.00 -0.91 0.00 0.00 33.84 33.97 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 0.05 0.00 -2.10 2.52 0.31 -0.65 -4.55 118.33 113.92 3h5d n VAL 147 Ca 0.03 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.05 3h5d n VAL 147 Cb 0.17 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 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 4.74 0.18 2.52 -7.23 -1.26 -4.68 120.40 114.68 3h5d s VAL 148 Ca 0.00 0.75 0.11 0.00 -1.81 0.00 0.00 61.98 61.02 3h5d s VAL 148 Cb 0.00 -3.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 3h5d s VAL 148 CO 0.00 -1.04 -0.23 -1.61 -0.31 0.00 0.00 175.10 171.92 3h5d s GLU 149 N -4.98 1.43 -0.30 4.82 2.02 -1.26 -3.87 118.70 116.56 3h5d s GLU 149 Ca 0.53 -1.47 -0.14 0.00 0.02 0.00 0.00 54.97 53.92 3h5d s GLU 149 Cb -0.11 -1.70 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 3h5d s GLU 149 CO 0.50 0.37 0.32 -1.17 0.02 0.00 0.00 175.26 175.29 3h5d s LEU 150 N -2.60 4.17 0.95 1.80 2.96 -1.26 -4.91 118.68 119.80 3h5d s LEU 150 Ca 0.18 0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 54.02 3h5d s LEU 150 Cb -0.08 -2.31 0.17 0.00 0.50 0.00 0.00 46.19 44.47 3h5d s LEU 150 CO 0.09 -0.20 1.10 0.42 -1.32 0.00 0.00 176.35 176.44 3h5d s THR 151 N 1.96 2.31 0.33 3.68 -4.23 -1.26 -4.75 115.64 113.69 3h5d s THR 151 Ca 0.12 0.10 0.05 0.00 -1.18 0.00 0.00 61.69 60.77 3h5d s THR 151 Cb -0.16 -2.26 0.14 0.00 1.34 0.00 0.00 72.50 71.56 3h5d s THR 151 CO 0.11 -0.13 1.85 -0.65 -0.54 0.00 0.00 174.62 175.25 3h5d h PRO 152 N -1.91 0.48 -0.69 3.99 0.11 -1.98 0.17 132.00 132.17 3h5d h PRO 152 Ca -0.49 -0.12 0.03 0.00 0.11 0.00 0.00 66.00 65.54 3h5d h PRO 152 Cb 1.28 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 3h5d h PRO 152 CO 0.47 0.56 0.43 1.49 -0.21 0.00 0.00 178.00 180.74 3h5d h GLU 153 N 0.45 0.80 0.01 1.05 4.81 -1.99 0.58 114.58 120.30 3h5d h GLU 153 Ca 0.09 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.07 3h5d h GLU 153 Cb 0.40 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3h5d h GLU 153 CO 0.02 0.53 -0.89 1.15 -0.73 0.00 0.00 179.01 179.09 3h5d h THR 154 N 0.83 1.50 -0.63 0.32 2.02 -1.85 -2.52 112.91 112.58 3h5d h THR 154 Ca 0.28 -2.67 -0.06 0.00 0.77 0.00 0.00 66.41 64.74 3h5d h THR 154 Cb 0.04 2.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 3h5d h THR 154 CO -0.12 0.78 0.17 -0.03 0.37 0.00 0.00 175.52 176.69 3h5d h MET 155 N 0.10 1.00 -0.03 6.66 1.85 -0.46 -2.79 114.93 121.26 3h5d h MET 155 Ca -0.05 -0.23 -0.18 0.00 -0.61 0.00 0.00 59.70 58.63 3h5d h MET 155 Cb 1.53 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 33.42 3h5d h MET 155 CO 0.14 0.89 -0.78 -0.07 -0.40 0.00 0.00 176.91 176.68 3h5d h LEU 156 N 0.92 0.33 -0.04 3.39 3.38 -0.90 -0.34 115.31 122.05 3h5d h LEU 156 Ca 0.20 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3h5d h LEU 156 Cb 0.33 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3h5d h LEU 156 CO -0.00 0.99 -0.22 0.03 0.09 0.00 0.00 178.44 179.33 3h5d h ARG 157 N 0.17 -0.23 -0.73 1.13 3.08 -1.46 -2.29 114.38 114.06 3h5d h ARG 157 Ca -0.04 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.24 3h5d h ARG 157 Cb 1.37 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.44 3h5d h ARG 157 CO 0.12 -0.15 0.52 -0.07 -1.07 0.00 0.00 179.97 179.32 3h5d h LEU 158 N -0.24 0.00 -0.61 3.04 3.38 -1.26 -1.00 115.31 118.62 3h5d h LEU 158 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3h5d h LEU 158 Cb 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3h5d h LEU 158 CO -0.17 0.00 0.18 0.00 0.09 0.00 0.00 178.44 178.55 3h5d h ALA 159 N 1.64 0.81 0.00 1.53 0.00 -0.52 -1.72 119.26 120.99 3h5d h ALA 159 Ca 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h5d h ALA 159 Cb 1.39 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3h5d h ALA 159 CO -0.00 0.48 0.00 -0.25 0.00 0.00 0.00 179.25 179.48 3h5d n ASP 160 N -4.38 0.00 -4.73 0.00 8.00 -0.38 -4.51 116.55 110.55 3h5d n ASP 160 Ca 0.04 -0.21 -0.41 0.00 0.71 0.00 0.00 54.79 54.91 3h5d n ASP 160 Cb 0.22 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.28 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 -2.00 3.56 0.25 1.24 2.46 -0.65 -4.94 115.29 115.20 3h5d s HIS 161 Ca 0.10 1.53 -0.05 0.00 0.47 0.00 0.00 55.06 57.11 3h5d s HIS 161 Cb 0.04 -3.30 0.34 0.00 -0.13 0.00 0.00 32.58 29.53 3h5d s HIS 161 CO 0.08 -0.74 1.87 -1.35 -2.47 0.00 0.00 174.74 172.12 3h5d h PRO 162 N 5.56 1.03 -0.70 2.88 0.11 -1.87 -2.91 132.00 136.11 3h5d h PRO 162 Ca -0.44 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h5d h PRO 162 Cb 1.21 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3h5d h PRO 162 CO 0.74 0.68 0.00 -1.71 -0.21 0.00 0.00 178.00 177.51 3h5d n ASN 163 N -4.56 3.99 -4.32 -2.05 5.15 -1.26 -4.73 115.26 107.48 3h5d n ASN 163 Ca 0.13 -2.10 -0.36 0.00 -0.60 0.00 0.00 54.58 51.65 3h5d n ASN 163 Cb 0.16 -0.50 -0.13 0.00 -0.53 0.00 0.00 39.78 38.78 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 -1.24 3.59 -0.01 -1.44 1.01 -1.10 -0.35 121.20 121.66 3h5d s ILE 164 Ca 0.48 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.55 3h5d s ILE 164 Cb 0.26 -2.74 0.03 0.00 0.01 0.00 0.00 42.46 40.02 3h5d s ILE 164 CO 0.30 0.27 0.88 2.30 0.00 0.00 0.00 174.94 178.69 3h5d n ILE 165 N 4.81 0.77 0.00 2.92 -5.35 -0.13 -4.65 119.36 117.73 3h5d n ILE 165 Ca -0.17 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.51 3h5d n ILE 165 Cb 0.49 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 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 -0.44 -0.41 2.98 3.28 0.00 -1.21 -0.77 105.19 108.62 3h5d n GLY 166 Ca 0.02 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.03 -0.46 1.61 0.11 -0.59 -0.64 120.40 118.40 3h5d s VAL 167 Ca 0.00 0.10 -0.18 0.00 -2.93 0.00 0.00 61.98 58.97 3h5d s VAL 167 Cb 0.00 -0.24 0.04 0.00 -1.53 0.00 0.00 36.38 34.65 3h5d s VAL 167 CO 0.00 0.04 0.55 -0.75 -3.33 0.00 0.00 175.10 171.61 3h5d s LYS 168 N 0.72 3.12 -0.20 1.54 2.20 0.46 -1.30 119.74 126.29 3h5d s LYS 168 Ca -0.05 -0.81 -0.05 0.00 -0.36 0.00 0.00 55.97 54.70 3h5d s LYS 168 Cb -0.07 -4.04 -0.02 0.00 -1.51 0.00 0.00 37.83 32.19 3h5d s LYS 168 CO -0.04 -1.05 -0.01 -2.00 -0.36 0.00 0.00 175.35 171.90 3h5d s GLU 169 N 2.41 3.58 -0.44 4.03 2.56 -0.37 -0.67 118.70 129.80 3h5d s GLU 169 Ca 0.14 -0.54 0.08 0.00 0.00 0.00 0.00 54.97 54.65 3h5d s GLU 169 Cb -0.18 -3.06 0.26 0.00 2.00 0.00 0.00 34.13 33.14 3h5d s GLU 169 CO 0.13 -0.02 0.58 0.00 -0.56 0.00 0.00 175.26 175.40 3h5d n THR 171 N 1.20 0.00 -4.28 0.00 -2.24 -1.26 -4.27 114.28 103.43 3h5d n THR 171 Ca 0.23 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.77 3h5d n THR 171 Cb 0.51 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.67 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 1.00 4.31 0.41 3.42 1.04 -1.26 -5.02 113.70 117.61 3h5d s SER 172 Ca 0.00 -0.91 0.19 0.00 0.48 0.00 0.00 55.95 55.71 3h5d s SER 172 Cb 0.00 -0.60 0.90 0.00 0.10 0.00 0.00 66.02 66.42 3h5d s SER 172 CO 0.00 -0.22 1.85 -0.07 0.98 0.00 0.00 173.24 175.78 3h5d h LEU 173 N 1.77 0.00 -0.48 2.42 3.38 -2.00 -2.80 115.31 117.60 3h5d h LEU 173 Ca -0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3h5d h LEU 173 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 3h5d h LEU 173 CO 0.65 0.30 0.24 0.00 0.09 0.00 0.00 178.44 179.73 3h5d h ALA 174 N 1.70 0.62 -0.22 1.53 0.00 -2.00 -2.20 119.26 118.70 3h5d h ALA 174 Ca -0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3h5d h ALA 174 Cb 0.68 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3h5d h ALA 174 CO 0.04 0.17 -0.41 -0.91 0.00 0.00 0.00 179.25 178.14 3h5d h ASN 175 N 0.64 0.54 0.19 0.00 4.21 -1.94 -2.67 115.58 116.55 3h5d h ASN 175 Ca 0.17 -0.24 -0.21 0.00 1.21 0.00 0.00 56.30 57.22 3h5d h ASN 175 Cb 0.09 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.15 3h5d h ASN 175 CO -0.02 0.89 -0.84 -0.03 -1.29 0.00 0.00 177.43 176.14 3h5d h MET 176 N 0.42 0.50 -0.95 0.81 4.05 -1.47 -2.01 114.93 116.29 3h5d h MET 176 Ca 0.04 -0.46 0.09 0.00 -0.28 0.00 0.00 59.70 59.09 3h5d h MET 176 Cb 0.90 0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 31.74 3h5d h MET 176 CO 0.08 1.10 0.61 0.00 0.23 0.00 0.00 176.91 178.93 3h5d h ALA 177 N 0.75 1.54 -0.18 0.39 0.00 -1.35 0.69 119.26 121.11 3h5d h ALA 177 Ca -0.06 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3h5d h ALA 177 Cb 1.45 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3h5d h ALA 177 CO 0.15 0.27 -0.15 -0.92 0.00 0.00 0.00 179.25 178.60 3h5d h TYR 178 N 1.00 0.49 -0.08 0.00 3.20 -1.27 -1.51 116.97 118.80 3h5d h TYR 178 Ca 0.44 -0.14 0.02 0.00 3.14 0.00 0.00 58.73 62.19 3h5d h TYR 178 Cb 0.36 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3h5d h TYR 178 CO -0.00 0.77 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.17 3h5d h LEU 179 N 0.07 -0.16 -2.27 2.82 4.07 -1.05 -1.54 115.31 117.25 3h5d h LEU 179 Ca 0.03 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 3h5d h LEU 179 Cb 0.67 0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.50 3h5d h LEU 179 CO 0.04 -0.07 -0.00 0.40 -1.08 0.00 0.00 178.44 177.73 3h5d h ILE 180 N -0.05 0.73 -0.00 1.22 2.04 -0.79 -0.27 117.51 120.39 3h5d h ILE 180 Ca 0.05 -0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.84 3h5d h ILE 180 Cb 0.12 1.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3h5d h ILE 180 CO -0.11 0.00 -0.26 -0.33 0.00 0.00 0.00 178.15 177.45 3h5d h GLU 181 N 0.00 0.18 -0.51 2.37 4.39 -0.62 -3.36 114.58 117.03 3h5d h GLU 181 Ca -0.00 -0.19 -0.24 0.00 0.34 0.00 0.00 59.36 59.27 3h5d h GLU 181 Cb 0.00 0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 28.56 3h5d h GLU 181 CO 0.00 0.92 0.12 0.72 -1.16 0.00 0.00 179.01 179.61 3h5d n HIS 182 N -4.50 1.61 -2.33 4.33 8.25 -0.64 -5.01 115.22 116.94 3h5d n HIS 182 Ca -0.10 -1.55 -0.36 0.00 -0.26 0.00 0.00 57.72 55.46 3h5d n HIS 182 Cb 0.51 -0.59 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 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 -3.20 3.63 0.39 -0.41 -2.85 -0.14 -5.00 119.74 112.16 3h5d s LYS 183 Ca 0.48 1.62 -0.03 0.00 -1.00 0.00 0.00 55.97 57.04 3h5d s LYS 183 Cb 0.42 -2.20 0.08 0.00 -2.06 0.00 0.00 37.83 34.07 3h5d s LYS 183 CO 0.04 -0.62 0.53 -2.30 0.10 0.00 0.00 175.35 173.09 3h5d n PRO 184 N -0.87 -0.06 -0.02 1.78 -0.02 -1.26 -5.06 135.00 129.49 3h5d n PRO 184 Ca 0.09 -1.15 -0.08 0.00 -2.02 0.00 0.00 63.50 60.34 3h5d n PRO 184 Cb 0.50 -0.44 -0.06 0.00 -0.02 0.00 0.00 33.50 33.48 3h5d n PRO 184 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3h5d h GLU 185 N 0.00 -0.08 -4.16 -0.52 3.07 -1.97 -3.35 114.58 107.56 3h5d h GLU 185 Ca -0.17 0.01 -0.77 0.00 -0.50 0.00 0.00 59.36 57.92 3h5d h GLU 185 Cb 0.57 0.02 -0.23 0.00 -0.84 0.00 0.00 28.75 28.27 3h5d h GLU 185 CO 0.16 0.35 0.91 -1.21 -1.40 0.00 0.00 179.01 177.82 3h5d s GLU 186 N -2.33 4.16 -0.30 2.33 0.41 -1.26 -4.87 118.70 116.83 3h5d s GLU 186 Ca -0.10 -2.91 -0.11 0.00 -0.41 0.00 0.00 54.97 51.45 3h5d s GLU 186 Cb -0.01 -4.82 0.18 0.00 -1.78 0.00 0.00 34.13 27.71 3h5d s GLU 186 CO 0.35 -1.51 0.96 0.12 -0.49 0.00 0.00 175.26 174.69 3h5d s PHE 187 N 0.16 -0.75 0.20 1.61 5.36 -1.24 -4.01 117.98 119.31 3h5d s PHE 187 Ca 0.37 0.82 -0.10 0.00 -0.96 0.00 0.00 56.93 57.06 3h5d s PHE 187 Cb -0.06 0.27 -0.07 0.00 -0.34 0.00 0.00 43.02 42.82 3h5d s PHE 187 CO -0.04 -0.41 0.53 -0.51 -1.46 0.00 0.00 175.22 173.33 3h5d s LEU 188 N 2.92 4.22 -0.28 6.12 2.01 0.05 -4.80 118.68 128.92 3h5d s LEU 188 Ca 0.03 0.92 -0.06 0.00 0.01 0.00 0.00 54.13 55.03 3h5d s LEU 188 Cb -0.11 -3.54 0.01 0.00 0.01 0.00 0.00 46.19 42.56 3h5d s LEU 188 CO -0.13 -0.02 0.05 -0.63 1.01 0.00 0.00 176.35 176.63 3h5d s ILE 189 N -1.71 3.77 0.14 -0.59 1.09 -1.26 -1.54 121.20 121.09 3h5d s ILE 189 Ca 0.44 -0.69 0.08 0.00 -1.10 0.00 0.00 60.65 59.38 3h5d s ILE 189 Cb -0.12 -2.90 -0.04 0.00 -1.06 0.00 0.00 42.46 38.33 3h5d s ILE 189 CO 0.21 0.15 -0.10 -0.31 -0.10 0.00 0.00 174.94 174.78 3h5d s TYR 190 N 1.48 2.68 0.30 3.97 2.02 -0.42 -0.21 117.35 127.17 3h5d s TYR 190 Ca 0.03 -0.20 -0.13 0.00 -0.37 0.00 0.00 57.07 56.40 3h5d s TYR 190 Cb -0.17 -1.36 -0.08 0.00 -0.40 0.00 0.00 41.96 39.95 3h5d s TYR 190 CO 0.01 0.46 0.69 0.99 -1.57 0.00 0.00 175.55 176.12 3h5d s THR 191 N -1.42 4.76 -1.72 -0.71 2.01 -0.38 -1.24 115.64 116.95 3h5d s THR 191 Ca 0.22 0.78 0.15 0.00 0.31 0.00 0.00 61.69 63.16 3h5d s THR 191 Cb -0.10 -3.62 0.24 0.00 0.01 0.00 0.00 72.50 69.02 3h5d s THR 191 CO 0.14 -0.18 1.13 0.61 -0.69 0.00 0.00 174.62 175.63 3h5d n GLY 192 N -0.38 1.06 3.36 4.40 0.00 -1.03 -0.79 105.19 111.80 3h5d n GLY 192 Ca 0.03 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.19 3.24 0.25 1.61 0.41 -1.26 -4.90 118.70 116.86 3h5d s GLU 193 Ca 0.23 -0.75 0.03 0.00 -0.41 0.00 0.00 54.97 54.07 3h5d s GLU 193 Cb 0.14 -3.31 0.30 0.00 -1.78 0.00 0.00 34.13 29.48 3h5d s GLU 193 CO 0.20 -0.36 1.61 -0.44 -0.49 0.00 0.00 175.26 175.79 3h5d h ASP 194 N 8.21 0.37 0.52 -0.19 3.32 -1.92 -2.09 116.42 124.63 3h5d h ASP 194 Ca -0.34 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3h5d h ASP 194 Cb 1.14 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.58 3h5d h ASP 194 CO 0.60 0.80 0.00 0.61 -1.72 0.00 0.00 179.24 179.53 3h5d n GLY 195 N 0.05 -1.14 0.19 2.75 0.00 -1.26 -2.65 105.19 103.12 3h5d n GLY 195 Ca -0.02 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.21 1.10 -0.31 1.61 9.92 -0.99 -4.67 116.55 121.00 3h5d n ASP 196 Ca 0.01 -1.05 0.01 0.00 -0.53 0.00 0.00 54.79 53.23 3h5d n ASP 196 Cb 0.17 0.62 0.15 0.00 -0.64 0.00 0.00 41.12 41.42 3h5d n ASP 196 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h5d h ALA 197 N 1.89 1.19 -0.38 2.24 0.00 -1.15 0.41 119.26 123.46 3h5d h ALA 197 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3h5d h ALA 197 Cb 0.36 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 3h5d h ALA 197 CO 0.00 0.26 -0.15 0.35 0.00 0.00 0.00 179.25 179.71 3h5d h PHE 198 N 0.96 -0.36 0.01 0.00 3.57 -1.83 0.27 116.94 119.55 3h5d h PHE 198 Ca 0.38 0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.71 3h5d h PHE 198 Cb 0.20 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3h5d h PHE 198 CO -0.03 -0.23 -0.93 0.45 -2.23 0.00 0.00 178.31 175.34 3h5d h HIS 199 N -0.08 0.36 0.34 0.41 3.86 -1.59 -3.09 115.15 115.36 3h5d h HIS 199 Ca 0.19 -0.20 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3h5d h HIS 199 Cb 0.36 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.80 3h5d h HIS 199 CO -0.39 1.04 -0.16 0.00 0.86 0.00 0.00 177.93 179.28 3h5d h ALA 200 N 0.90 -0.45 -0.18 2.45 0.00 0.04 -2.90 119.26 119.11 3h5d h ALA 200 Ca -0.06 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.75 3h5d h ALA 200 Cb 1.57 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 3h5d h ALA 200 CO 0.15 -0.66 -0.15 0.52 0.00 0.00 0.00 179.25 179.10 3h5d h MET 201 N -0.64 -0.16 0.00 0.00 2.07 -0.46 0.21 114.93 115.96 3h5d h MET 201 Ca -0.05 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 3h5d h MET 201 Cb 0.46 0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.22 3h5d h MET 201 CO 0.08 -0.11 0.00 0.27 1.07 0.00 0.00 176.91 178.22 3h5d n ASN 202 N -5.31 0.00 0.14 1.22 6.94 -1.17 -1.50 115.26 115.58 3h5d n ASN 202 Ca -0.02 -0.60 0.10 0.00 -0.02 0.00 0.00 54.58 54.04 3h5d n ASN 202 Cb 0.22 -0.07 0.05 0.00 -2.36 0.00 0.00 39.78 37.62 3h5d n ASN 202 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3h5d h LEU 203 N 0.00 0.00 0.00 -4.53 5.85 -0.37 -3.48 115.31 112.78 3h5d h LEU 203 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h5d h LEU 203 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3h5d h LEU 203 CO 0.00 0.11 0.00 0.61 -0.34 0.00 0.00 178.44 178.82 3h5d n GLY 204 N 1.18 1.34 3.77 3.75 0.00 -0.56 -4.96 105.19 109.71 3h5d n GLY 204 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 2.83 -0.22 4.61 0.00 -1.00 -4.91 121.76 121.27 3h5d s ALA 205 Ca 0.00 0.85 0.17 0.00 0.00 0.00 0.00 51.96 52.98 3h5d s ALA 205 Cb 0.00 -3.36 0.12 0.00 0.00 0.00 0.00 23.12 19.88 3h5d s ALA 205 CO 0.00 -0.68 1.46 -0.44 0.00 0.00 0.00 175.76 176.10 3h5d h ASP 206 N 1.60 0.00 0.00 0.00 3.32 -0.95 -3.43 116.42 116.95 3h5d h ASP 206 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3h5d h ASP 206 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3h5d h ASP 206 CO 0.58 0.38 0.00 0.61 -1.72 0.00 0.00 179.24 179.10 3h5d n GLY 207 N 1.20 -1.46 3.45 2.75 0.00 -1.24 -4.37 105.19 105.53 3h5d n GLY 207 Ca 0.02 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.69 2.87 -0.36 1.61 0.11 -0.49 -1.24 120.40 120.21 3h5d s VAL 208 Ca 0.00 -0.92 -0.14 0.00 -2.93 0.00 0.00 61.98 57.99 3h5d s VAL 208 Cb 0.00 -2.14 -0.01 0.00 -1.53 0.00 0.00 36.38 32.70 3h5d s VAL 208 CO 0.00 0.50 0.28 -0.63 -3.33 0.00 0.00 175.10 171.92 3h5d s ILE 209 N -0.79 5.25 -0.03 7.04 1.01 0.03 -1.37 121.20 132.34 3h5d s ILE 209 Ca 0.13 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.59 3h5d s ILE 209 Cb -0.11 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 3h5d s ILE 209 CO 0.02 -0.10 -0.24 -0.55 0.00 0.00 0.00 174.94 174.07 3h5d s SER 210 N 1.72 3.18 -0.21 3.58 0.15 0.11 -4.50 113.70 117.73 3h5d s SER 210 Ca 0.07 -0.44 0.15 0.00 0.70 0.00 0.00 55.95 56.43 3h5d s SER 210 Cb -0.18 -0.50 -0.23 0.00 -1.71 0.00 0.00 66.02 63.41 3h5d s SER 210 CO 0.11 0.31 0.01 0.52 1.20 0.00 0.00 173.24 175.39 3h5d n VAL 211 N 2.52 1.41 0.23 4.45 0.31 -1.26 -1.00 118.33 124.99 3h5d n VAL 211 Ca -0.16 -0.80 0.12 0.00 -0.01 0.00 0.00 64.34 63.48 3h5d n VAL 211 Cb 0.51 -0.65 0.45 0.00 -0.91 0.00 0.00 33.84 33.24 3h5d n VAL 211 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h5d h ALA 212 N 0.80 0.98 0.00 3.52 0.00 -1.96 -2.52 119.26 120.08 3h5d h ALA 212 Ca -0.55 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3h5d h ALA 212 Cb 2.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.95 3h5d h ALA 212 CO 0.01 0.18 0.09 0.66 0.00 0.00 0.00 179.25 180.19 3h5d h SER 213 N 0.00 0.00 -0.10 0.00 4.64 -1.86 0.29 113.55 116.51 3h5d h SER 213 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3h5d h SER 213 Cb 0.76 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3h5d h SER 213 CO 0.02 0.00 -0.08 0.45 -0.87 0.00 0.00 176.83 176.35 3h5d h HIS 214 N 0.00 0.28 -0.02 4.77 3.86 -1.73 -3.28 115.15 119.03 3h5d h HIS 214 Ca 0.00 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 3h5d h HIS 214 Cb 0.19 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3h5d h HIS 214 CO 0.00 0.63 0.00 0.25 0.86 0.00 0.00 177.93 179.67 3h5d n THR 215 N -4.68 0.10 -2.18 2.45 -2.24 -0.95 -4.70 114.28 102.09 3h5d n THR 215 Ca -0.07 -0.55 0.01 0.00 -2.27 0.00 0.00 64.05 61.18 3h5d n THR 215 Cb 0.31 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 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 0.28 0.32 -0.33 3.42 3.02 0.99 -4.89 115.26 118.07 3h5d n ASN 216 Ca 0.03 -1.94 0.15 0.00 -0.03 0.00 0.00 54.58 52.79 3h5d n ASN 216 Cb 0.16 -0.21 0.38 0.00 -0.61 0.00 0.00 39.78 39.50 3h5d n ASN 216 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3h5d h GLY 217 N 0.35 1.53 0.80 7.41 0.00 -1.69 -2.39 103.07 109.08 3h5d h GLY 217 Ca -0.10 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 3h5d h GLY 217 CO 0.02 -0.05 -0.31 -0.55 0.00 0.00 0.00 176.54 175.65 3h5d h ASP 218 N 0.66 0.51 -0.02 0.19 5.19 -1.93 -1.25 116.42 119.77 3h5d h ASP 218 Ca 0.56 -0.57 -0.25 0.00 -0.62 0.00 0.00 57.03 56.14 3h5d h ASP 218 Cb 1.01 -0.15 0.02 0.00 0.18 0.00 0.00 39.33 40.39 3h5d h ASP 218 CO -0.33 0.99 -0.97 1.05 -3.12 0.00 0.00 179.24 176.87 3h5d h GLU 219 N 0.06 0.69 0.11 3.56 4.11 -1.95 0.60 114.58 121.75 3h5d h GLU 219 Ca -0.00 -0.72 0.02 0.00 0.07 0.00 0.00 59.36 58.73 3h5d h GLU 219 Cb 0.92 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.32 3h5d h GLU 219 CO 0.07 1.30 -0.42 0.52 0.07 0.00 0.00 179.01 180.55 3h5d h MET 220 N 0.37 -0.62 -0.89 1.06 2.86 -1.52 0.66 114.93 116.85 3h5d h MET 220 Ca -0.11 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3h5d h MET 220 Cb 1.62 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 33.37 3h5d h MET 220 CO 0.19 -0.41 0.59 1.25 1.06 0.00 0.00 176.91 179.59 3h5d h HIS 221 N -0.64 1.10 -0.57 -0.22 -0.00 -1.25 0.32 115.15 113.90 3h5d h HIS 221 Ca 0.02 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.38 3h5d h HIS 221 Cb 0.67 -0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 27.69 3h5d h HIS 221 CO -0.37 0.67 0.19 1.49 -0.00 0.00 0.00 177.93 179.91 3h5d h GLU 222 N 1.17 0.84 -0.04 5.26 4.81 0.78 0.12 114.58 127.51 3h5d h GLU 222 Ca 0.34 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 59.27 3h5d h GLU 222 Cb -0.07 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 3h5d h GLU 222 CO -0.09 0.71 -0.69 1.98 -0.73 0.00 0.00 179.01 180.19 3h5d h MET 223 N 0.82 0.18 -0.03 1.92 4.05 0.10 -2.53 114.93 119.44 3h5d h MET 223 Ca 0.19 -0.14 -0.17 0.00 -0.28 0.00 0.00 59.70 59.29 3h5d h MET 223 Cb 0.21 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 3h5d h MET 223 CO -0.01 0.80 -0.75 0.74 0.23 0.00 0.00 176.91 177.91 3h5d h PHE 224 N 0.12 0.31 -0.08 1.39 -1.00 -0.40 -2.37 116.94 114.91 3h5d h PHE 224 Ca -0.02 -0.15 -0.02 0.00 2.81 0.00 0.00 57.97 60.59 3h5d h PHE 224 Cb 1.23 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 40.74 3h5d h PHE 224 CO 0.02 0.89 -0.05 1.15 -1.61 0.00 0.00 178.31 178.71 3h5d h THR 225 N 0.14 1.34 -0.11 -1.55 2.02 -0.99 -1.96 112.91 111.81 3h5d h THR 225 Ca -0.03 -1.11 0.04 0.00 0.77 0.00 0.00 66.41 66.09 3h5d h THR 225 Cb 1.32 1.91 -0.06 0.00 -1.74 0.00 0.00 68.15 69.59 3h5d h THR 225 CO 0.12 0.31 -0.35 0.00 0.37 0.00 0.00 175.52 175.96 3h5d h ALA 226 N 0.61 -0.46 -0.93 6.16 0.00 -1.46 0.17 119.26 123.34 3h5d h ALA 226 Ca 0.02 0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.15 3h5d h ALA 226 Cb 0.51 0.66 -0.12 0.00 0.00 0.00 0.00 17.79 18.84 3h5d h ALA 226 CO 0.01 -0.84 0.48 0.82 0.00 0.00 0.00 179.25 179.72 3h5d h ILE 227 N -0.44 0.55 0.00 0.00 2.04 -1.39 -1.68 117.51 116.59 3h5d h ILE 227 Ca 0.08 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 3h5d h ILE 227 Cb 0.58 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3h5d h ILE 227 CO -0.35 0.09 -0.42 0.00 0.00 0.00 0.00 178.15 177.47 3h5d h ALA 228 N 1.69 0.76 -0.56 1.87 0.00 -0.48 -3.04 119.26 119.50 3h5d h ALA 228 Ca 0.58 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3h5d h ALA 228 Cb 1.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3h5d h ALA 228 CO -0.48 0.52 0.00 0.39 0.00 0.00 0.00 179.25 179.69 3h5d n GLU 229 N -3.25 2.45 -3.75 0.00 1.02 -0.05 -4.96 120.64 112.09 3h5d n GLU 229 Ca 0.02 -2.23 -0.25 0.00 -0.02 0.00 0.00 57.16 54.68 3h5d n GLU 229 Cb 0.67 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.64 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 1.34 -3.26 -3.09 1.62 7.64 -0.80 -4.93 113.62 112.14 3h5d n SER 230 Ca 0.21 -0.76 -0.32 0.00 1.01 0.00 0.00 58.87 59.01 3h5d n SER 230 Cb 0.54 -4.19 -0.01 0.00 -1.01 0.00 0.00 64.21 59.54 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 -2.97 5.55 -0.35 6.43 2.03 -0.71 -4.88 116.55 121.65 3h5d n ASP 231 Ca -0.13 -3.70 0.27 0.00 0.52 0.00 0.00 54.79 51.75 3h5d n ASP 231 Cb 0.60 -0.76 0.56 0.00 -0.72 0.00 0.00 41.12 40.81 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 3.29 0.28 -0.74 -0.67 2.86 -1.90 -1.43 114.93 116.62 3h5d h MET 232 Ca 0.30 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 58.06 3h5d h MET 232 Cb 0.47 -0.06 -0.14 0.00 0.06 0.00 0.00 31.60 31.92 3h5d h MET 232 CO 0.97 0.18 -0.26 0.87 1.06 0.00 0.00 176.91 179.73 3h5d h LYS 233 N 0.29 -0.05 -0.02 1.72 1.57 -1.95 0.18 116.57 118.31 3h5d h LYS 233 Ca 0.64 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 59.19 3h5d h LYS 233 Cb 1.82 0.01 0.02 0.00 0.08 0.00 0.00 32.23 34.15 3h5d h LYS 233 CO -0.30 -0.03 -0.91 -0.22 -0.57 0.00 0.00 179.45 177.42 3h5d h LYS 234 N -0.05 0.65 -0.80 3.15 3.64 -1.67 -2.87 116.57 118.62 3h5d h LYS 234 Ca 0.33 -0.67 0.04 0.00 -1.27 0.00 0.00 60.65 59.07 3h5d h LYS 234 Cb 0.56 0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.52 3h5d h LYS 234 CO -0.78 1.27 0.51 0.00 -2.27 0.00 0.00 179.45 178.18 3h5d h ALA 235 N 0.40 1.07 0.26 5.00 0.00 -1.15 -1.25 119.26 123.59 3h5d h ALA 235 Ca -0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3h5d h ALA 235 Cb 1.58 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3h5d h ALA 235 CO 0.18 0.29 -0.12 0.00 0.00 0.00 0.00 179.25 179.60 3h5d h ALA 236 N 1.35 -0.35 -0.89 0.00 0.00 -0.76 -1.80 119.26 116.81 3h5d h ALA 236 Ca 0.33 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.22 3h5d h ALA 236 Cb 0.07 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 3h5d h ALA 236 CO -0.13 -0.56 0.50 0.00 0.00 0.00 0.00 179.25 179.06 3h5d h ALA 237 N 0.03 1.36 -0.24 0.00 0.00 -1.30 0.41 119.26 119.52 3h5d h ALA 237 Ca -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3h5d h ALA 237 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3h5d h ALA 237 CO 0.06 0.00 0.01 0.82 0.00 0.00 0.00 179.25 180.14 3h5d h ILE 238 N 0.74 1.25 -0.44 0.00 2.04 -1.19 -2.59 117.51 117.32 3h5d h ILE 238 Ca 0.48 -0.87 0.06 0.00 1.00 0.00 0.00 64.86 65.53 3h5d h ILE 238 Cb 0.62 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 3h5d h ILE 238 CO -0.33 0.27 0.13 -0.61 0.00 0.00 0.00 178.15 177.61 3h5d h GLN 239 N 0.20 0.28 -0.36 2.37 5.75 -0.22 0.18 115.11 123.30 3h5d h GLN 239 Ca 0.07 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.62 3h5d h GLN 239 Cb 0.39 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.82 3h5d h GLN 239 CO 0.01 0.18 0.00 0.00 -2.65 0.00 0.00 178.83 176.38 3h5d h ARG 240 N 0.29 0.10 0.00 1.69 3.08 -0.15 -0.52 114.38 118.88 3h5d h ARG 240 Ca 0.21 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3h5d h ARG 240 Cb 0.22 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3h5d h ARG 240 CO -0.23 0.07 0.00 1.63 -1.07 0.00 0.00 179.97 180.37 3h5d n LYS 241 N -5.18 0.11 0.08 0.04 5.02 -0.93 -3.69 118.16 113.62 3h5d n LYS 241 Ca 0.02 0.15 -0.22 0.00 -2.02 0.00 0.00 58.31 56.23 3h5d n LYS 241 Cb 0.19 -1.64 -0.15 0.00 -0.02 0.00 0.00 35.03 33.40 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 0.72 -0.64 2.13 3.57 0.87 -3.35 116.94 120.23 3h5d h PHE 242 Ca 0.00 -0.52 0.11 0.00 3.53 0.00 0.00 57.97 61.08 3h5d h PHE 242 Cb 0.54 -0.03 -0.12 0.00 2.79 0.00 0.00 35.95 39.13 3h5d h PHE 242 CO 0.00 1.61 -0.36 0.82 -2.23 0.00 0.00 178.31 178.16 3h5d h ILE 243 N 0.11 0.14 0.00 1.41 2.04 -1.33 0.35 117.51 120.22 3h5d h ILE 243 Ca -0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3h5d h ILE 243 Cb 2.10 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 3h5d h ILE 243 CO 0.19 0.00 0.00 -0.65 0.00 0.00 0.00 178.15 177.69 3h5d h PRO 244 N -0.15 0.00 0.12 2.37 0.11 -1.77 0.94 132.00 133.62 3h5d h PRO 244 Ca 0.24 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.03 3h5d h PRO 244 Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3h5d h PRO 244 CO -0.72 0.00 -1.65 0.87 -0.21 0.00 0.00 178.00 176.29 3h5d h LYS 245 N 0.00 0.24 -0.41 1.05 1.57 -0.53 -2.69 116.57 115.79 3h5d h LYS 245 Ca 0.00 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3h5d h LYS 245 Cb 0.02 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3h5d h LYS 245 CO 0.00 1.09 0.26 0.28 -0.57 0.00 0.00 179.45 180.51 3h5d h VAL 246 N 0.07 1.12 -0.52 0.50 2.07 0.30 -0.75 116.25 119.04 3h5d h VAL 246 Ca -0.29 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3h5d h VAL 246 Cb 2.03 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 3h5d h VAL 246 CO 0.14 0.12 0.32 0.78 0.02 0.00 0.00 177.57 178.95 3h5d h ASN 247 N 0.55 0.51 0.36 0.57 -0.26 -1.13 -2.26 115.58 113.93 3h5d h ASN 247 Ca 0.15 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 3h5d h ASN 247 Cb -0.02 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 3h5d h ASN 247 CO -0.03 0.36 -0.40 0.00 -1.06 0.00 0.00 177.43 176.30 3h5d h ALA 248 N 1.23 -1.05 -1.10 -0.83 0.00 -1.28 -0.27 119.26 115.95 3h5d h ALA 248 Ca 0.21 -0.14 0.41 0.00 0.00 0.00 0.00 54.91 55.39 3h5d h ALA 248 Cb 0.01 0.65 -0.14 0.00 0.00 0.00 0.00 17.79 18.31 3h5d h ALA 248 CO -0.09 -1.08 0.67 1.28 0.00 0.00 0.00 179.25 180.03 3h5d n LEU 249 N -4.81 0.24 -1.36 0.00 7.99 -0.31 0.14 117.00 118.90 3h5d n LEU 249 Ca -0.09 1.35 -0.02 0.00 -0.01 0.00 0.00 56.01 57.24 3h5d n LEU 249 Cb 0.36 -0.66 0.24 0.00 -0.11 0.00 0.00 43.42 43.25 3h5d n LEU 249 CO 0.19 -1.48 0.83 0.49 -1.51 0.00 0.00 177.39 175.91 3h5d n PHE 250 N -4.72 1.54 0.26 -1.77 3.72 -0.84 -4.22 117.46 111.43 3h5d n PHE 250 Ca 0.35 -1.28 0.09 0.00 -0.05 0.00 0.00 57.45 56.57 3h5d n PHE 250 Cb 1.31 -0.52 0.69 0.00 -0.94 0.00 0.00 39.48 40.02 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 1.67 0.00 -4.36 4.37 0.02 0.31 -3.43 113.55 112.13 3h5d h SER 251 Ca 0.19 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.97 3h5d h SER 251 Cb 1.85 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 64.16 3h5d h SER 251 CO 0.48 0.02 -0.52 -0.47 -1.14 0.00 0.00 176.83 175.20 3h5d s TYR 252 N -4.90 -0.06 -0.22 3.45 5.04 -1.26 -5.10 117.35 114.30 3h5d s TYR 252 Ca -0.05 0.13 -0.43 0.00 -2.44 0.00 0.00 57.07 54.29 3h5d s TYR 252 Cb 0.16 0.00 -0.20 0.00 0.35 0.00 0.00 41.96 42.28 3h5d s TYR 252 CO 0.64 -0.18 1.32 -2.30 -1.34 0.00 0.00 175.55 173.70 3h5d n PRO 253 N 2.26 0.06 -1.90 4.97 -0.02 -1.26 -4.37 135.00 134.74 3h5d n PRO 253 Ca -0.17 0.02 -0.40 0.00 -2.02 0.00 0.00 63.50 60.92 3h5d n PRO 253 Cb 0.57 -1.53 -0.00 0.00 -0.02 0.00 0.00 33.50 32.52 3h5d n PRO 253 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3h5d s SER 254 N 1.40 6.30 -0.45 2.55 0.15 -1.26 -1.09 113.70 121.30 3h5d s SER 254 Ca 0.97 2.89 0.04 0.00 0.70 0.00 0.00 55.95 60.54 3h5d s SER 254 Cb -1.36 -2.66 0.64 0.00 -1.71 0.00 0.00 66.02 60.94 3h5d s SER 254 CO 0.68 -0.88 1.90 -0.81 1.20 0.00 0.00 173.24 175.33 3h5d n PRO 255 N 0.30 2.24 -0.32 5.44 -0.05 -1.26 -4.97 135.00 136.38 3h5d n PRO 255 Ca 0.02 -2.95 0.02 0.00 -0.05 0.00 0.00 63.50 60.54 3h5d n PRO 255 Cb 0.41 -2.16 0.16 0.00 -0.05 0.00 0.00 33.50 31.87 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 1.07 1.24 0.09 0.55 0.00 -1.32 -2.41 119.26 118.48 3h5d h ALA 256 Ca 0.62 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.26 3h5d h ALA 256 Cb 2.73 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 20.32 3h5d h ALA 256 CO 1.11 0.25 -1.16 -1.35 0.00 0.00 0.00 179.25 178.10 3h5d h PRO 257 N 0.96 0.46 -0.55 0.00 0.11 -1.76 -2.33 132.00 128.88 3h5d h PRO 257 Ca 0.40 -0.62 -0.07 0.00 0.11 0.00 0.00 66.00 65.82 3h5d h PRO 257 Cb 0.25 0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 3h5d h PRO 257 CO -0.20 1.25 0.05 -0.24 -0.21 0.00 0.00 178.00 178.66 3h5d h VAL 258 N 0.20 1.26 0.17 3.15 3.04 -1.74 -2.08 116.25 120.25 3h5d h VAL 258 Ca -0.14 -1.02 -0.01 0.00 -1.01 0.00 0.00 66.70 64.51 3h5d h VAL 258 Cb 1.84 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 3h5d h VAL 258 CO 0.21 0.37 -0.08 0.11 -1.01 0.00 0.00 177.57 177.16 3h5d h LYS 259 N 0.82 -0.22 -0.93 4.17 1.57 -1.51 0.56 116.57 121.04 3h5d h LYS 259 Ca 0.16 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.08 3h5d h LYS 259 Cb 0.46 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.73 3h5d h LYS 259 CO 0.02 -0.09 0.55 0.00 -0.57 0.00 0.00 179.45 179.35 3h5d h ALA 260 N 0.53 1.40 -0.27 3.86 0.00 -1.39 1.37 119.26 124.76 3h5d h ALA 260 Ca -0.02 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3h5d h ALA 260 Cb 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3h5d h ALA 260 CO 0.04 0.09 -0.26 0.82 0.00 0.00 0.00 179.25 179.94 3h5d h ILE 261 N 0.84 1.31 -0.64 0.00 2.04 -1.20 -2.63 117.51 117.23 3h5d h ILE 261 Ca 0.47 -1.43 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 3h5d h ILE 261 Cb 0.54 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 3h5d h ILE 261 CO -0.30 0.45 0.27 -0.07 0.00 0.00 0.00 178.15 178.50 3h5d h LEU 262 N 0.37 0.85 -0.64 1.44 3.38 0.19 -1.55 115.31 119.36 3h5d h LEU 262 Ca 0.04 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3h5d h LEU 262 Cb 0.82 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3h5d h LEU 262 CO 0.07 0.75 0.15 0.78 0.09 0.00 0.00 178.44 180.28 3h5d h ASN 263 N 0.92 0.97 0.12 -0.43 2.35 0.17 -1.74 115.58 117.94 3h5d h ASN 263 Ca 0.22 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 3h5d h ASN 263 Cb 0.16 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3h5d h ASN 263 CO -0.02 0.96 -0.20 0.22 -1.65 0.00 0.00 177.43 176.74 3h5d h TYR 264 N 0.94 0.16 0.00 1.19 3.20 -1.29 -1.21 116.97 119.97 3h5d h TYR 264 Ca 0.20 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3h5d h TYR 264 Cb 0.37 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3h5d h TYR 264 CO 0.03 0.35 0.00 -1.33 -1.64 0.00 0.00 178.16 175.57 3h5d n MET 265 N -4.24 0.92 -0.47 1.82 2.81 -0.60 -4.88 117.12 112.48 3h5d n MET 265 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 3h5d n MET 265 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 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 1.00 0.76 0.08 3.03 0.00 -0.46 -4.94 105.19 104.66 3h5d n GLY 266 Ca 0.23 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.44 0.00 -3.59 1.61 3.72 -0.69 -4.94 117.46 111.13 3h5d n PHE 267 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 3h5d n PHE 267 Cb 0.00 -0.26 0.05 0.00 -0.94 0.00 0.00 39.48 38.34 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 -1.16 -5.43 0.17 -1.08 4.07 -1.26 -4.84 120.64 111.11 3h5d n GLU 268 Ca 0.11 0.71 0.02 0.00 -0.06 0.00 0.00 57.16 57.94 3h5d n GLU 268 Cb 0.31 -5.43 0.31 0.00 -0.06 0.00 0.00 31.44 26.57 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 0.86 1.18 0.00 4.31 0.00 -1.84 -3.42 119.26 120.34 3h5d h ALA 269 Ca -0.60 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 53.90 3h5d h ALA 269 Cb 1.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3h5d h ALA 269 CO 0.54 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.75 3h5d n GLY 270 N -0.13 -1.51 3.64 0.00 0.00 -1.26 -1.20 105.19 104.74 3h5d n GLY 270 Ca -0.01 -1.65 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 -0.93 -4.01 1.61 -0.02 -1.26 -4.76 135.00 125.63 3h5d n PRO 271 Ca 0.00 -2.10 -0.31 0.00 -2.02 0.00 0.00 63.50 59.06 3h5d n PRO 271 Cb 0.00 -1.12 -0.06 0.00 -0.02 0.00 0.00 33.50 32.30 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 -3.52 4.87 0.28 3.45 -4.23 -1.26 -4.52 115.64 110.71 3h5d s THR 272 Ca 0.69 -0.55 -0.28 0.00 -1.18 0.00 0.00 61.69 60.36 3h5d s THR 272 Cb -0.02 -3.33 -0.09 0.00 1.34 0.00 0.00 72.50 70.39 3h5d s THR 272 CO 0.48 0.18 0.97 -0.13 -0.54 0.00 0.00 174.62 175.58 3h5d s ARG 273 N -2.27 4.69 0.51 3.99 0.52 -1.26 -4.69 118.95 120.44 3h5d s ARG 273 Ca 0.30 1.48 -0.22 0.00 -0.52 0.00 0.00 55.73 56.76 3h5d s ARG 273 Cb -0.12 -3.05 -0.06 0.00 0.52 0.00 0.00 34.95 32.24 3h5d s ARG 273 CO 0.22 0.35 1.25 -0.51 0.02 0.00 0.00 175.30 176.63 3h5d s LEU 274 N -1.62 3.90 0.60 2.53 1.43 -1.26 -1.49 118.68 122.77 3h5d s LEU 274 Ca 0.46 2.51 0.29 0.00 -1.03 0.00 0.00 54.13 56.36 3h5d s LEU 274 Cb -0.24 -4.30 1.52 0.00 0.03 0.00 0.00 46.19 43.20 3h5d s LEU 274 CO 0.30 -1.28 1.93 -0.65 0.23 0.00 0.00 176.35 176.88 3h5d h PRO 275 N 1.65 0.00 -6.22 1.29 0.11 -2.00 -3.48 132.00 123.35 3h5d h PRO 275 Ca -0.50 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.06 3h5d h PRO 275 Cb 1.28 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 3h5d h PRO 275 CO 0.58 0.00 0.18 -0.51 -0.21 0.00 0.00 178.00 178.04 3h5d s LEU 276 N -7.27 4.38 0.07 2.35 1.43 -0.55 -5.08 118.68 114.01 3h5d s LEU 276 Ca -0.04 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.47 3h5d s LEU 276 Cb 0.15 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 3h5d s LEU 276 CO 0.52 -0.10 0.15 0.68 0.23 0.00 0.00 176.35 177.83 3h5d s VAL 277 N 0.53 5.00 1.09 -1.59 -7.23 -1.26 -4.05 120.40 112.88 3h5d s VAL 277 Ca 0.41 -0.57 -0.12 0.00 -1.81 0.00 0.00 61.98 59.89 3h5d s VAL 277 Cb -0.20 -3.43 0.24 0.00 0.56 0.00 0.00 36.38 33.55 3h5d s VAL 277 CO 0.22 0.12 1.06 -2.84 -0.31 0.00 0.00 175.10 173.35 3h5d s PRO 278 N -2.49 -0.29 0.19 4.82 0.02 -1.26 -4.85 135.00 131.13 3h5d s PRO 278 Ca 0.32 0.86 -0.31 0.00 0.02 0.00 0.00 61.00 61.89 3h5d s PRO 278 Cb -0.13 -1.63 -0.10 0.00 0.02 0.00 0.00 34.50 32.67 3h5d s PRO 278 CO 0.25 -3.31 1.48 0.00 -0.33 0.00 0.00 177.00 175.10 3h5d s ALA 279 N -2.61 3.69 0.63 -1.55 0.00 -1.26 -4.97 121.76 115.68 3h5d s ALA 279 Ca 0.67 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.76 3h5d s ALA 279 Cb -0.23 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.30 3h5d s ALA 279 CO 0.62 -0.73 1.18 -2.14 0.00 0.00 0.00 175.76 174.69 3h5d s PRO 280 N 0.55 2.78 0.18 0.00 0.02 -1.26 -4.69 135.00 132.58 3h5d s PRO 280 Ca 0.65 1.71 -0.16 0.00 0.02 0.00 0.00 61.00 63.21 3h5d s PRO 280 Cb -0.42 -1.92 0.13 0.00 0.02 0.00 0.00 34.50 32.31 3h5d s PRO 280 CO 0.36 -1.32 1.66 1.49 -0.33 0.00 0.00 177.00 178.85 3h5d h GLU 281 N 0.48 -0.00 -0.78 5.54 4.57 -1.99 -0.07 114.58 122.33 3h5d h GLU 281 Ca -0.49 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 57.75 3h5d h GLU 281 Cb 1.28 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.83 3h5d h GLU 281 CO 0.54 -0.00 0.51 1.49 -1.18 0.00 0.00 179.01 180.37 3h5d h GLU 282 N -0.00 0.81 -0.01 1.92 4.81 -2.02 0.48 114.58 120.56 3h5d h GLU 282 Ca 0.22 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.24 3h5d h GLU 282 Cb 0.33 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3h5d h GLU 282 CO -0.47 0.54 -0.72 -0.44 -0.73 0.00 0.00 179.01 177.19 3h5d h ASP 283 N 0.84 0.10 -0.05 1.04 5.19 -1.52 -3.27 116.42 118.75 3h5d h ASP 283 Ca 0.34 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.65 3h5d h ASP 283 Cb 0.25 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 3h5d h ASP 283 CO -0.12 0.78 -0.03 0.58 -3.12 0.00 0.00 179.24 177.34 3h5d h VAL 284 N 0.06 1.12 -0.02 -1.35 2.07 0.84 0.86 116.25 119.83 3h5d h VAL 284 Ca -0.01 -0.49 -0.18 0.00 0.82 0.00 0.00 66.70 66.84 3h5d h VAL 284 Cb 1.27 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3h5d h VAL 284 CO 0.10 0.16 -0.79 0.50 0.02 0.00 0.00 177.57 177.56 3h5d h LYS 285 N 0.22 0.18 0.03 1.57 1.63 -1.52 -2.28 116.57 116.40 3h5d h LYS 285 Ca 0.05 -0.17 -0.05 0.00 -0.85 0.00 0.00 60.65 59.63 3h5d h LYS 285 Cb 0.21 0.04 0.01 0.00 -0.60 0.00 0.00 32.23 31.89 3h5d h LYS 285 CO 0.01 0.88 -0.23 -0.09 -3.45 0.00 0.00 179.45 176.57 3h5d h ARG 286 N 0.11 0.09 0.48 1.90 2.43 -1.46 -2.91 114.38 115.02 3h5d h ARG 286 Ca -0.03 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 3h5d h ARG 286 Cb 1.38 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.97 3h5d h ARG 286 CO 0.12 1.04 -0.39 0.82 -1.51 0.00 0.00 179.97 180.04 3h5d h ILE 287 N -0.77 0.20 -0.74 1.20 2.04 -0.94 0.19 117.51 118.69 3h5d h ILE 287 Ca -0.04 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.98 3h5d h ILE 287 Cb 1.14 0.20 -0.10 0.00 -0.74 0.00 0.00 36.82 37.32 3h5d h ILE 287 CO 0.04 0.00 0.22 0.40 0.00 0.00 0.00 178.15 178.81 3h5d h ILE 288 N -0.86 0.56 -0.54 -0.67 2.04 -1.57 0.14 117.51 116.62 3h5d h ILE 288 Ca -0.05 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.78 3h5d h ILE 288 Cb 0.74 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 3h5d h ILE 288 CO -0.02 0.06 0.20 0.50 0.00 0.00 0.00 178.15 178.89 3h5d h LYS 289 N 0.33 0.37 0.22 2.37 1.63 -1.23 -2.55 116.57 117.70 3h5d h LYS 289 Ca 0.42 -0.02 -0.33 0.00 -0.85 0.00 0.00 60.65 59.87 3h5d h LYS 289 Cb 0.69 -0.08 0.04 0.00 -0.60 0.00 0.00 32.23 32.27 3h5d h LYS 289 CO -0.47 0.24 -1.42 0.28 -3.45 0.00 0.00 179.45 174.63 3h5d h VAL 290 N 0.38 1.29 0.21 2.00 2.07 0.13 -3.37 116.25 118.95 3h5d h VAL 290 Ca 0.26 -2.64 -0.32 0.00 0.82 0.00 0.00 66.70 64.82 3h5d h VAL 290 Cb 0.29 2.95 0.03 0.00 -1.52 0.00 0.00 31.29 33.04 3h5d h VAL 290 CO -0.27 0.80 -1.48 0.58 0.02 0.00 0.00 177.57 177.22 3h5d h VAL 291 N 0.18 1.19 -2.74 2.57 2.07 -1.06 -3.42 116.25 115.04 3h5d h VAL 291 Ca -0.24 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 64.68 3h5d h VAL 291 Cb 2.10 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 34.83 3h5d h VAL 291 CO 0.27 0.81 0.00 1.33 0.02 0.00 0.00 177.57 179.99 3h5d n VAL 292 N -3.75 0.00 -3.39 2.57 0.24 -0.96 -4.95 118.33 108.08 3h5d n VAL 292 Ca -0.20 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 61.91 3h5d n VAL 292 Cb 1.05 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 33.33 3h5d n VAL 292 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3h5d s ASP 293 N 0.76 1.68 0.00 -1.34 3.68 -1.26 -4.48 116.67 115.71 3h5d s ASP 293 Ca 0.00 -1.39 0.00 0.00 2.13 0.00 0.00 52.55 53.29 3h5d s ASP 293 Cb 0.00 0.37 0.00 0.00 -1.45 0.00 0.00 42.92 41.84 3h5d s ASP 293 CO 0.00 -0.32 0.00 0.61 0.13 0.00 0.00 175.17 175.59 3h5d n GLY 294 N 4.60 -0.72 3.39 2.66 0.00 -1.26 -5.10 105.19 108.76 3h5d n GLY 294 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 6.19 -0.48 1.61 1.01 -1.26 -2.96 116.67 120.78 3h5d s ASP 295 Ca 0.00 -1.29 -0.07 0.00 0.71 0.00 0.00 52.55 51.90 3h5d s ASP 295 Cb 0.00 -2.29 0.12 0.00 1.01 0.00 0.00 42.92 41.76 3h5d s ASP 295 CO 0.00 -1.02 0.33 -0.47 0.21 0.00 0.00 175.17 174.22 3h5d s TYR 296 N 2.59 3.47 -0.89 4.23 5.04 -1.26 -5.04 117.35 125.49 3h5d s TYR 296 Ca 0.12 -2.06 -0.23 0.00 -2.44 0.00 0.00 57.07 52.46 3h5d s TYR 296 Cb -0.23 -3.43 0.06 0.00 0.35 0.00 0.00 41.96 38.71 3h5d s TYR 296 CO 0.08 -0.98 1.29 -1.21 -1.34 0.00 0.00 175.55 173.38 3h5d s GLU 297 N 1.18 3.44 -0.89 4.97 8.01 -1.26 -4.84 118.70 129.31 3h5d s GLU 297 Ca 0.07 -1.01 -0.11 0.00 0.01 0.00 0.00 54.97 53.93 3h5d s GLU 297 Cb -0.25 -4.87 -0.08 0.00 -4.31 0.00 0.00 34.13 24.63 3h5d s GLU 297 CO -0.02 -2.06 2.06 0.00 0.01 0.00 0.00 175.26 175.25 3h5d n ALA 298 N 8.39 4.35 -1.71 5.21 0.00 -1.26 -5.23 120.51 130.26 3h5d n ALA 298 Ca 0.20 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 51.21 3h5d n ALA 298 Cb 0.49 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.75 3h5d n ALA 298 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91