#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjs s THR 26 N 0.00 0.14 0.09 0.00 -1.32 -1.26 -5.17 115.64 108.12 3hjs s THR 26 Ca 0.00 -0.76 0.02 0.00 -1.21 0.00 0.00 61.69 59.74 3hjs s THR 26 Cb 0.00 -0.25 -0.04 0.00 -1.51 0.00 0.00 72.50 70.70 3hjs s THR 26 CO 0.00 -0.39 -0.06 0.00 -2.21 0.00 0.00 174.62 171.95 3hjs s ALA 27 N -1.18 0.91 -0.98 11.08 0.00 -1.26 -5.07 121.76 125.26 3hjs s ALA 27 Ca -0.12 -1.29 -0.01 0.00 0.00 0.00 0.00 51.96 50.53 3hjs s ALA 27 Cb -0.08 0.16 0.32 0.00 0.00 0.00 0.00 23.12 23.52 3hjs s ALA 27 CO -0.01 -0.23 1.90 -0.25 0.00 0.00 0.00 175.76 177.17 3hjs n ASP 28 N 0.08 7.42 -4.65 0.00 9.92 -1.26 -4.98 116.55 123.09 3hjs n ASP 28 Ca -0.13 -3.72 -0.35 0.00 -0.53 0.00 0.00 54.79 50.06 3hjs n ASP 28 Cb 0.60 -1.14 -0.09 0.00 -0.64 0.00 0.00 41.12 39.84 3hjs n ASP 28 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3hjs s THR 29 N -4.50 4.86 0.44 -3.53 2.01 -1.26 -5.10 115.64 108.56 3hjs s THR 29 Ca 0.43 -0.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.22 3hjs s THR 29 Cb 0.26 -3.19 -0.10 0.00 0.01 0.00 0.00 72.50 69.48 3hjs s THR 29 CO -0.21 0.47 0.94 -0.94 -0.69 0.00 0.00 174.62 174.19 3hjs s SER 30 N 0.29 6.86 0.41 3.53 1.04 -1.26 -4.88 113.70 119.69 3hjs s SER 30 Ca 0.04 1.63 0.13 0.00 0.48 0.00 0.00 55.95 58.23 3hjs s SER 30 Cb -0.12 -2.52 0.98 0.00 0.10 0.00 0.00 66.02 64.46 3hjs s SER 30 CO -0.00 -0.39 1.93 -0.65 0.98 0.00 0.00 173.24 175.11 3hjs h PRO 31 N 1.74 0.47 -0.69 4.02 0.11 -1.99 0.38 132.00 136.05 3hjs h PRO 31 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hjs h PRO 31 Cb 1.18 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3hjs h PRO 31 CO 0.61 0.31 0.44 1.49 -0.21 0.00 0.00 178.00 180.65 3hjs h GLU 32 N 0.49 0.91 -0.05 1.05 4.81 -1.99 0.30 114.58 120.11 3hjs h GLU 32 Ca 0.35 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.47 3hjs h GLU 32 Cb 0.68 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3hjs h GLU 32 CO -0.12 0.62 -0.16 -0.09 -0.73 0.00 0.00 179.01 178.53 3hjs h ARG 33 N 0.93 0.19 -0.87 1.92 2.43 -1.48 -2.34 114.38 115.15 3hjs h ARG 33 Ca 0.25 -0.14 0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3hjs h ARG 33 Cb -0.09 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 3hjs h ARG 33 CO -0.05 0.77 0.54 1.25 -1.51 0.00 0.00 179.97 180.97 3hjs h LEU 34 N -0.36 0.87 -0.68 3.80 5.85 -0.95 -0.09 115.31 123.75 3hjs h LEU 34 Ca -0.01 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3hjs h LEU 34 Cb 0.79 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 3hjs h LEU 34 CO 0.03 0.56 0.42 0.00 -0.34 0.00 0.00 178.44 179.12 3hjs h ALA 35 N 1.40 0.88 -0.13 1.25 0.00 -0.33 0.23 119.26 122.55 3hjs h ALA 35 Ca 0.37 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.06 3hjs h ALA 35 Cb 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hjs h ALA 35 CO -0.16 0.19 -0.73 0.00 0.00 0.00 0.00 179.25 178.55 3hjs h ALA 36 N 1.29 0.46 -0.32 0.00 0.00 -0.85 -0.43 119.26 119.41 3hjs h ALA 36 Ca 0.27 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3hjs h ALA 36 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hjs h ALA 36 CO -0.10 0.71 0.13 0.82 0.00 0.00 0.00 179.25 180.82 3hjs h ILE 37 N 0.44 1.17 -0.67 0.00 2.04 -0.56 -1.99 117.51 117.95 3hjs h ILE 37 Ca -0.04 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3hjs h ILE 37 Cb 1.33 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 3hjs h ILE 37 CO 0.14 0.18 0.29 0.00 0.00 0.00 0.00 178.15 178.76 3hjs h ALA 38 N 0.98 0.87 -0.44 1.87 0.00 -0.37 0.91 119.26 123.09 3hjs h ALA 38 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3hjs h ALA 38 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hjs h ALA 38 CO -0.01 0.47 0.20 -0.22 0.00 0.00 0.00 179.25 179.69 3hjs h LYS 39 N 0.95 0.64 -0.30 0.00 3.64 -0.98 0.08 116.57 120.60 3hjs h LYS 39 Ca 0.23 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3hjs h LYS 39 Cb 0.18 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3hjs h LYS 39 CO -0.02 0.57 0.12 -0.44 -2.27 0.00 0.00 179.45 177.41 3hjs h ASP 40 N 0.57 0.42 0.05 4.20 3.32 -0.95 -0.25 116.42 123.78 3hjs h ASP 40 Ca 0.15 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3hjs h ASP 40 Cb 0.15 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3hjs h ASP 40 CO -0.02 0.47 -0.03 0.00 -1.72 0.00 0.00 179.24 177.94 3hjs h ALA 41 N 0.97 -0.07 -0.49 3.45 0.00 -0.73 0.21 119.26 122.60 3hjs h ALA 41 Ca 0.10 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3hjs h ALA 41 Cb 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hjs h ALA 41 CO -0.01 -0.46 -0.19 -0.07 0.00 0.00 0.00 179.25 178.52 3hjs h LEU 42 N -0.23 1.00 -0.85 0.00 3.38 -1.00 -1.47 115.31 116.14 3hjs h LEU 42 Ca -0.01 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.63 3hjs h LEU 42 Cb 0.21 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3hjs h LEU 42 CO 0.01 1.16 0.54 1.23 0.09 0.00 0.00 178.44 181.48 3hjs h GLY 43 N 0.90 1.24 0.86 0.83 0.00 -0.98 -0.37 103.07 105.55 3hjs h GLY 43 Ca 0.12 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.05 3hjs h GLY 43 CO 0.06 0.35 0.07 0.00 0.00 0.00 0.00 176.54 177.02 3hjs h ALA 44 N 1.36 0.22 -0.30 3.60 0.00 -0.67 0.47 119.26 123.95 3hjs h ALA 44 Ca 0.34 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3hjs h ALA 44 Cb 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hjs h ALA 44 CO -0.12 -0.35 0.07 -0.07 0.00 0.00 0.00 179.25 178.78 3hjs h LEU 45 N 0.17 0.46 -0.84 0.00 3.38 -0.99 -1.07 115.31 116.42 3hjs h LEU 45 Ca 0.09 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3hjs h LEU 45 Cb 0.05 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3hjs h LEU 45 CO -0.08 0.58 0.54 0.78 0.09 0.00 0.00 178.44 180.34 3hjs h ASN 46 N 0.32 0.89 -0.86 -0.43 -0.26 -0.88 -0.88 115.58 113.48 3hjs h ASN 46 Ca 0.09 -0.00 0.03 0.00 -0.56 0.00 0.00 56.30 55.86 3hjs h ASN 46 Cb 0.30 -0.20 -0.05 0.00 -1.06 0.00 0.00 38.32 37.32 3hjs h ASN 46 CO 0.00 0.61 0.57 0.44 -1.06 0.00 0.00 177.43 177.99 3hjs h ASP 47 N 1.04 0.94 -0.50 5.81 3.32 0.28 -1.10 116.42 126.21 3hjs h ASP 47 Ca 0.34 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.31 3hjs h ASP 47 Cb 0.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3hjs h ASP 47 CO -0.12 0.65 0.05 0.58 -1.72 0.00 0.00 179.24 178.68 3hjs h VAL 48 N 1.09 1.26 -0.56 -1.35 2.07 -0.66 -0.49 116.25 117.61 3hjs h VAL 48 Ca 0.34 -1.00 0.06 0.00 0.82 0.00 0.00 66.70 66.92 3hjs h VAL 48 Cb -0.01 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3hjs h VAL 48 CO -0.09 0.35 0.27 0.40 0.02 0.00 0.00 177.57 178.52 3hjs h ILE 49 N 0.72 0.91 -0.34 4.57 2.04 -0.66 -1.95 117.51 122.80 3hjs h ILE 49 Ca 0.15 -0.17 -0.16 0.00 1.00 0.00 0.00 64.86 65.68 3hjs h ILE 49 Cb 0.45 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3hjs h ILE 49 CO 0.02 0.09 -0.41 -0.07 0.00 0.00 0.00 178.15 177.77 3hjs h LEU 50 N 0.50 0.91 -0.44 1.44 3.38 -1.07 -0.39 115.31 119.64 3hjs h LEU 50 Ca 0.26 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3hjs h LEU 50 Cb 0.21 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3hjs h LEU 50 CO -0.20 1.20 0.17 0.50 0.09 0.00 0.00 178.44 180.19 3hjs h LYS 51 N 0.69 0.66 -0.01 1.13 3.64 -0.80 -2.99 116.57 118.88 3hjs h LYS 51 Ca 0.05 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3hjs h LYS 51 Cb 0.99 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3hjs h LYS 51 CO 0.10 0.62 -0.43 0.72 -2.27 0.00 0.00 179.45 178.18 3hjs n HIS 52 N -4.60 0.00 -3.36 1.91 8.25 -0.76 -4.96 115.22 111.70 3hjs n HIS 52 Ca 0.01 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 3hjs n HIS 52 Cb 0.16 -0.06 0.07 0.00 1.12 0.00 0.00 29.99 31.28 3hjs n HIS 52 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hjs n GLY 53 N 1.40 -0.29 3.65 -1.41 0.00 -0.23 -4.91 105.19 103.39 3hjs n GLY 53 Ca 0.10 0.08 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 3hjs n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hjs n VAL 54 N -4.33 0.63 -3.59 1.61 0.31 -0.74 -4.97 118.33 107.26 3hjs n VAL 54 Ca -0.07 -0.16 -0.20 0.00 -0.01 0.00 0.00 64.34 63.90 3hjs n VAL 54 Cb 0.58 -1.34 -0.01 0.00 -0.91 0.00 0.00 33.84 32.16 3hjs n VAL 54 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3hjs s THR 55 N 0.20 4.13 0.18 2.52 -4.23 -1.26 -4.95 115.64 112.23 3hjs s THR 55 Ca 0.73 -1.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.04 3hjs s THR 55 Cb -0.71 -3.42 0.11 0.00 1.34 0.00 0.00 72.50 69.82 3hjs s THR 55 CO 0.47 -0.18 1.69 1.88 -0.54 0.00 0.00 174.62 177.94 3hjs h TYR 56 N 0.99 0.02 -0.64 3.99 -1.99 -1.99 -0.62 116.97 116.72 3hjs h TYR 56 Ca -0.46 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.35 3hjs h TYR 56 Cb 1.25 0.06 -0.04 0.00 2.00 0.00 0.00 36.73 40.01 3hjs h TYR 56 CO 0.45 -0.08 0.43 -1.35 -0.00 0.00 0.00 178.16 177.60 3hjs h PRO 57 N 0.14 0.67 -0.37 4.88 0.11 -1.99 -0.49 132.00 134.94 3hjs h PRO 57 Ca 0.24 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.17 3hjs h PRO 57 Cb 0.35 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3hjs h PRO 57 CO -0.37 0.44 -0.32 0.93 -0.21 0.00 0.00 178.00 178.47 3hjs h GLU 58 N 0.69 0.84 -0.68 1.05 5.08 -1.80 -1.78 114.58 117.97 3hjs h GLU 58 Ca 0.27 -0.40 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3hjs h GLU 58 Cb 0.19 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3hjs h GLU 58 CO -0.08 1.04 0.42 -0.92 -1.00 0.00 0.00 179.01 178.47 3hjs h TYR 59 N 0.70 0.78 -0.52 4.33 3.20 -0.47 0.06 116.97 125.06 3hjs h TYR 59 Ca 0.07 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 3hjs h TYR 59 Cb 0.88 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 3hjs h TYR 59 CO 0.05 0.43 0.04 0.00 -1.64 0.00 0.00 178.16 177.05 3hjs h ARG 60 N 0.81 0.89 -0.69 1.82 3.08 -0.89 -0.58 114.38 118.82 3hjs h ARG 60 Ca 0.28 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3hjs h ARG 60 Cb 0.05 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3hjs h ARG 60 CO -0.12 0.89 0.26 0.28 -1.07 0.00 0.00 179.97 180.21 3hjs h VAL 61 N 0.76 1.25 -0.56 2.04 2.07 -0.82 -2.20 116.25 118.78 3hjs h VAL 61 Ca 0.15 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 3hjs h VAL 61 Cb 0.46 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3hjs h VAL 61 CO 0.02 0.31 0.11 0.15 0.02 0.00 0.00 177.57 178.18 3hjs h PHE 62 N 0.98 0.97 -0.27 1.57 -0.00 -0.67 0.20 116.94 119.72 3hjs h PHE 62 Ca 0.23 -0.13 0.01 0.00 -0.00 0.00 0.00 57.97 58.08 3hjs h PHE 62 Cb 0.23 -0.27 -0.02 0.00 -0.00 0.00 0.00 35.95 35.89 3hjs h PHE 62 CO 0.02 0.85 0.16 -0.22 -0.00 0.00 0.00 178.31 179.12 3hjs h LYS 63 N 0.81 0.33 -0.35 1.11 3.64 -0.96 -0.97 116.57 120.18 3hjs h LYS 63 Ca 0.17 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 3hjs h LYS 63 Cb 0.38 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3hjs h LYS 63 CO 0.01 0.22 -0.31 0.37 -2.27 0.00 0.00 179.45 177.47 3hjs h GLN 64 N 0.34 0.74 -0.69 1.90 5.75 -0.96 -2.11 115.11 120.09 3hjs h GLN 64 Ca 0.11 -0.34 -0.01 0.00 -0.15 0.00 0.00 58.65 58.26 3hjs h GLN 64 Cb -0.01 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 3hjs h GLN 64 CO -0.04 0.95 0.39 2.35 -2.65 0.00 0.00 178.83 179.83 3hjs h TRP 65 N 0.63 0.94 -0.50 3.99 7.01 -0.64 -0.19 115.95 127.20 3hjs h TRP 65 Ca 0.07 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 3hjs h TRP 65 Cb 0.83 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 3hjs h TRP 65 CO 0.04 0.66 0.27 -0.07 -2.79 0.00 0.00 178.44 176.56 3hjs h LEU 66 N 0.95 0.63 -0.47 0.65 3.38 -0.82 -0.63 115.31 119.00 3hjs h LEU 66 Ca 0.25 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.20 3hjs h LEU 66 Cb 0.02 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 3hjs h LEU 66 CO -0.04 0.54 0.06 0.40 0.09 0.00 0.00 178.44 179.49 3hjs h ILE 67 N 0.67 0.71 -0.37 1.22 2.04 -1.12 -2.74 117.51 117.92 3hjs h ILE 67 Ca 0.18 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 3hjs h ILE 67 Cb 0.05 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3hjs h ILE 67 CO -0.03 0.03 -0.06 0.44 0.00 0.00 0.00 178.15 178.54 3hjs h ASP 68 N 0.19 0.58 -0.58 1.72 3.32 -0.46 -0.89 116.42 120.30 3hjs h ASP 68 Ca 0.23 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.20 3hjs h ASP 68 Cb 0.32 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 3hjs h ASP 68 CO -0.33 0.69 0.29 0.58 -1.72 0.00 0.00 179.24 178.75 3hjs h VAL 69 N 0.57 0.93 -0.26 -1.35 2.07 -0.89 0.21 116.25 117.52 3hjs h VAL 69 Ca 0.11 -0.19 -0.14 0.00 0.82 0.00 0.00 66.70 67.30 3hjs h VAL 69 Cb 0.45 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3hjs h VAL 69 CO 0.02 0.10 -0.37 1.23 0.02 0.00 0.00 177.57 178.57 3hjs h GLY 70 N 0.55 0.78 2.00 2.17 0.00 -1.15 -0.45 103.07 106.97 3hjs h GLY 70 Ca 0.27 -0.86 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 3hjs h GLY 70 CO -0.19 0.77 -0.15 0.83 0.00 0.00 0.00 176.54 177.80 3hjs h GLU 71 N 0.45 0.00 -0.57 4.80 5.08 -0.90 -1.96 114.58 121.47 3hjs h GLU 71 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hjs h GLU 71 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3hjs h GLU 71 CO 0.09 0.15 0.00 0.41 -1.00 0.00 0.00 179.01 178.65 3hjs n GLY 72 N -0.77 1.86 3.00 -3.84 0.00 0.04 -4.93 105.19 100.54 3hjs n GLY 72 Ca -0.02 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 3hjs n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hjs n GLY 73 N 1.50 -0.50 0.87 -0.02 0.00 -0.74 -4.91 105.19 101.38 3hjs n GLY 73 Ca 0.21 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.42 3hjs n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hjs n GLU 74 N -3.64 2.14 -0.05 1.61 1.02 -0.21 -4.55 120.64 116.96 3hjs n GLU 74 Ca -0.09 -1.72 -0.09 0.00 -0.02 0.00 0.00 57.16 55.24 3hjs n GLU 74 Cb 0.60 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.55 3hjs n GLU 74 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3hjs h TRP 75 N 3.35 0.12 -0.97 -0.32 4.06 -1.91 0.33 115.95 120.61 3hjs h TRP 75 Ca 0.00 0.01 0.02 0.00 2.06 0.00 0.00 58.89 60.99 3hjs h TRP 75 Cb 0.74 -0.02 -0.05 0.00 -1.00 0.00 0.00 29.16 28.83 3hjs h TRP 75 CO 0.19 0.05 0.64 -1.35 -3.56 0.00 0.00 178.44 174.41 3hjs h PRO 76 N 0.17 1.23 0.40 0.49 0.11 -1.97 -1.79 132.00 130.64 3hjs h PRO 76 Ca 0.10 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 3hjs h PRO 76 Cb 0.08 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 30.91 3hjs h PRO 76 CO -0.11 0.81 -0.19 1.25 -0.21 0.00 0.00 178.00 179.55 3hjs h LEU 77 N 1.27 -0.46 -0.69 2.35 5.85 -1.79 0.51 115.31 122.35 3hjs h LEU 77 Ca 0.37 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3hjs h LEU 77 Cb -0.07 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3hjs h LEU 77 CO -0.10 -0.22 0.45 0.15 -0.34 0.00 0.00 178.44 178.38 3hjs h PHE 78 N -0.69 0.88 -0.30 1.25 3.04 -0.83 -0.79 116.94 119.51 3hjs h PHE 78 Ca -0.06 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.77 3hjs h PHE 78 Cb 0.49 -0.30 -0.00 0.00 2.56 0.00 0.00 35.95 38.70 3hjs h PHE 78 CO -0.01 0.57 -0.35 -0.07 -2.02 0.00 0.00 178.31 176.43 3hjs h LEU 79 N 0.94 0.82 -1.32 0.59 3.38 -1.30 -0.42 115.31 118.00 3hjs h LEU 79 Ca 0.25 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 3hjs h LEU 79 Cb -0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3hjs h LEU 79 CO -0.05 1.14 -0.24 0.44 0.09 0.00 0.00 178.44 179.82 3hjs h ASP 80 N 0.52 0.15 -0.02 -0.43 3.32 -0.59 0.10 116.42 119.48 3hjs h ASP 80 Ca 0.04 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3hjs h ASP 80 Cb 0.93 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3hjs h ASP 80 CO 0.08 0.40 -0.14 0.58 -1.72 0.00 0.00 179.24 178.45 3hjs h VAL 81 N 0.15 1.52 0.00 -1.35 2.07 -0.98 -3.35 116.25 114.31 3hjs h VAL 81 Ca 0.02 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.82 3hjs h VAL 81 Cb 0.51 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 3hjs h VAL 81 CO 0.04 0.47 -1.26 0.49 0.02 0.00 0.00 177.57 177.32 3hjs n PHE 82 N -4.61 0.00 0.00 1.57 3.72 -0.18 -4.28 117.46 113.68 3hjs n PHE 82 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3hjs n PHE 82 Cb 0.42 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 3hjs n PHE 82 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hjs n ILE 83 N -1.72 0.00 -0.24 4.37 2.08 0.19 -4.84 119.36 119.19 3hjs n ILE 83 Ca 0.01 0.00 0.18 0.00 0.56 0.00 0.00 62.75 63.50 3hjs n ILE 83 Cb 0.37 -0.75 0.49 0.00 -0.75 0.00 0.00 39.64 39.01 3hjs n ILE 83 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 3hjs h GLU 84 N 0.00 0.43 -0.39 0.38 4.81 -1.23 -1.08 114.58 117.49 3hjs h GLU 84 Ca 0.00 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 3hjs h GLU 84 Cb 0.82 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3hjs h GLU 84 CO 0.00 0.28 0.27 1.12 -0.73 0.00 0.00 179.01 179.96 3hjs h HIS 85 N 0.44 0.16 0.02 0.92 2.07 -1.82 0.01 115.15 116.95 3hjs h HIS 85 Ca 0.46 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.78 3hjs h HIS 85 Cb 1.09 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 31.01 3hjs h HIS 85 CO -0.00 0.08 -0.95 0.77 -3.07 0.00 0.00 177.93 174.76 3hjs h SER 86 N 0.15 0.22 0.00 3.10 0.02 -1.54 -1.12 113.55 114.37 3hjs h SER 86 Ca 0.18 -0.19 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 3hjs h SER 86 Cb 0.53 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3hjs h SER 86 CO -0.03 1.05 -0.43 0.58 -1.14 0.00 0.00 176.83 176.86 3hjs h VAL 87 N 0.08 1.31 -0.10 2.27 2.07 -1.11 -1.82 116.25 118.94 3hjs h VAL 87 Ca -0.05 -1.60 -0.17 0.00 0.82 0.00 0.00 66.70 65.70 3hjs h VAL 87 Cb 1.62 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 3hjs h VAL 87 CO 0.14 0.50 -0.66 -0.08 0.02 0.00 0.00 177.57 177.49 3hjs h GLU 88 N 0.43 0.39 -0.98 1.57 4.22 -1.06 -2.46 114.58 116.69 3hjs h GLU 88 Ca 0.03 -0.29 0.04 0.00 0.08 0.00 0.00 59.36 59.22 3hjs h GLU 88 Cb 0.92 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.17 3hjs h GLU 88 CO 0.08 0.92 0.64 1.49 -2.18 0.00 0.00 179.01 179.96 3hjs h GLU 89 N 0.28 1.20 0.10 1.92 4.81 -0.83 0.76 114.58 122.82 3hjs h GLU 89 Ca -0.02 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3hjs h GLU 89 Cb 1.21 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 3hjs h GLU 89 CO 0.11 0.79 -0.19 0.28 -0.73 0.00 0.00 179.01 179.27 3hjs h VAL 90 N 1.24 0.56 -0.46 0.32 2.07 -1.22 -2.68 116.25 116.07 3hjs h VAL 90 Ca 0.39 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.90 3hjs h VAL 90 Cb 0.01 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3hjs h VAL 90 CO -0.13 0.00 0.23 0.25 0.02 0.00 0.00 177.57 177.94 3hjs h LEU 91 N -0.37 0.57 -2.01 2.57 5.85 -0.89 -2.93 115.31 118.11 3hjs h LEU 91 Ca 0.03 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3hjs h LEU 91 Cb 0.39 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3hjs h LEU 91 CO -0.11 0.48 -0.09 0.00 -0.34 0.00 0.00 178.44 178.38 3hjs h ALA 92 N 1.61 1.52 0.00 1.25 0.00 0.83 -1.96 119.26 122.51 3hjs h ALA 92 Ca 0.16 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3hjs h ALA 92 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hjs h ALA 92 CO -0.02 0.11 -0.24 0.00 0.00 0.00 0.00 179.25 179.10 3hjs h ARG 93 N 0.00 0.00 -0.01 0.00 3.08 -1.30 -3.15 114.38 113.00 3hjs h ARG 93 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hjs h ARG 93 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3hjs h ARG 93 CO 0.01 0.24 -0.15 -1.13 -1.07 0.00 0.00 179.97 177.87 3hjs n SER 94 N -3.99 1.01 -4.29 7.04 3.41 -0.74 -4.93 113.62 111.13 3hjs n SER 94 Ca -0.02 -0.99 -0.31 0.00 -0.26 0.00 0.00 58.87 57.29 3hjs n SER 94 Cb 0.32 0.06 -0.16 0.00 -0.26 0.00 0.00 64.21 64.16 3hjs n SER 94 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hjs s ARG 95 N -2.35 2.23 -0.00 4.33 0.52 -1.19 -5.00 118.95 117.47 3hjs s ARG 95 Ca 0.29 -0.91 0.16 0.00 -0.52 0.00 0.00 55.73 54.75 3hjs s ARG 95 Cb 0.20 -2.06 -0.19 0.00 0.52 0.00 0.00 34.95 33.42 3hjs s ARG 95 CO 0.46 0.50 0.61 0.36 0.02 0.00 0.00 175.30 177.25 3hjs n LYS 96 N 2.60 1.43 0.00 3.54 -0.00 -1.26 -4.98 118.16 119.50 3hjs n LYS 96 Ca -0.16 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 3hjs n LYS 96 Cb 0.51 -1.29 0.00 0.00 -0.00 0.00 0.00 35.03 34.26 3hjs n LYS 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hjs n GLY 97 N 1.42 0.32 3.70 2.58 0.00 -1.26 -4.96 105.19 106.98 3hjs n GLY 97 Ca 0.02 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 3hjs n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hjs n THR 98 N 0.00 1.83 -1.71 2.61 -1.04 -0.26 -4.86 114.28 110.85 3hjs n THR 98 Ca 0.00 -0.46 -0.43 0.00 -2.04 0.00 0.00 64.05 61.12 3hjs n THR 98 Cb 0.00 -1.56 -0.02 0.00 -1.82 0.00 0.00 70.33 66.93 3hjs n THR 98 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3hjs n MET 99 N 0.80 2.30 -2.40 -2.82 0.00 -1.26 -4.98 117.12 108.76 3hjs n MET 99 Ca 0.06 0.81 -0.24 0.00 0.00 0.00 0.00 57.70 58.33 3hjs n MET 99 Cb 0.35 -2.50 0.08 0.00 0.00 0.00 0.00 33.22 31.16 3hjs n MET 99 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3hjs s GLY 100 N 0.19 1.75 0.37 3.03 0.00 -1.26 -4.78 107.32 106.62 3hjs s GLY 100 Ca 0.63 -1.29 -0.04 0.00 0.00 0.00 0.00 44.72 44.01 3hjs s GLY 100 CO 0.53 -0.83 0.55 -0.45 0.00 0.00 0.00 173.10 172.89 3hjs s SER 101 N -4.60 0.86 0.72 1.64 0.15 -0.54 -4.82 113.70 107.11 3hjs s SER 101 Ca 0.63 -1.48 -0.15 0.00 0.70 0.00 0.00 55.95 55.65 3hjs s SER 101 Cb -0.08 0.72 0.03 0.00 -1.71 0.00 0.00 66.02 64.98 3hjs s SER 101 CO 0.44 -1.40 1.17 0.27 1.20 0.00 0.00 173.24 174.92 3hjs s ILE 102 N -2.78 2.60 0.13 6.45 -4.36 -1.26 -4.33 121.20 117.64 3hjs s ILE 102 Ca 0.28 0.28 -0.05 0.00 -0.26 0.00 0.00 60.65 60.90 3hjs s ILE 102 Cb -0.01 -2.80 -0.16 0.00 1.25 0.00 0.00 42.46 40.73 3hjs s ILE 102 CO 0.20 -0.17 1.33 -0.08 0.24 0.00 0.00 174.94 176.45 3hjs h GLU 103 N -0.30 0.48 0.00 0.37 4.81 -1.93 -3.44 114.58 114.58 3hjs h GLU 103 Ca -0.47 -0.47 0.14 0.00 -0.13 0.00 0.00 59.36 58.43 3hjs h GLU 103 Cb 1.28 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.74 3hjs h GLU 103 CO 0.51 1.11 -0.19 0.41 -0.73 0.00 0.00 179.01 180.12 3hjs n GLY 104 N 0.84 -1.95 0.71 1.92 0.00 -1.26 -4.55 105.19 100.89 3hjs n GLY 104 Ca -0.07 -1.32 0.12 0.00 0.00 0.00 0.00 46.02 44.76 3hjs n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hjs n PRO 105 N -2.17 1.96 -0.32 1.61 -0.04 -1.26 -4.36 135.00 130.41 3hjs n PRO 105 Ca 0.00 -1.41 0.07 0.00 -0.04 0.00 0.00 63.50 62.12 3hjs n PRO 105 Cb 0.24 -1.46 0.22 0.00 -0.04 0.00 0.00 33.50 32.46 3hjs n PRO 105 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hjs n TYR 106 N 0.68 0.77 -2.32 0.54 4.02 -1.26 -4.99 117.16 114.61 3hjs n TYR 106 Ca 0.17 -0.61 -0.41 0.00 -0.01 0.00 0.00 57.90 57.05 3hjs n TYR 106 Cb 0.44 -0.13 -0.03 0.00 -0.02 0.00 0.00 39.34 39.60 3hjs n TYR 106 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3hjs s TYR 107 N -1.57 3.35 -0.11 -0.72 5.04 -1.26 -5.03 117.35 117.05 3hjs s TYR 107 Ca 0.34 1.48 0.02 0.00 -2.44 0.00 0.00 57.07 56.46 3hjs s TYR 107 Cb 0.21 -3.47 0.01 0.00 0.35 0.00 0.00 41.96 39.07 3hjs s TYR 107 CO 0.17 -1.27 -0.15 0.42 -1.34 0.00 0.00 175.55 173.38 3hjs s ILE 108 N -0.66 1.47 0.76 3.14 1.01 -1.26 -5.14 121.20 120.51 3hjs s ILE 108 Ca 0.50 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 3hjs s ILE 108 Cb -0.35 -1.34 0.05 0.00 0.01 0.00 0.00 42.46 40.83 3hjs s ILE 108 CO 0.42 0.43 1.10 -1.61 0.00 0.00 0.00 174.94 175.29 3hjs s GLU 109 N 0.99 2.28 -1.63 2.79 2.02 -1.26 -4.10 118.70 119.78 3hjs s GLU 109 Ca -0.07 1.26 -0.03 0.00 0.02 0.00 0.00 54.97 56.15 3hjs s GLU 109 Cb -0.15 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.19 3hjs s GLU 109 CO -0.01 -1.64 0.44 -1.71 0.02 0.00 0.00 175.26 172.35 3hjs n ASN 110 N -3.31 -6.11 -4.75 -0.19 4.05 -1.26 -4.98 115.26 98.70 3hjs n ASN 110 Ca 0.10 -0.21 -0.38 0.00 0.45 0.00 0.00 54.58 54.54 3hjs n ASN 110 Cb 0.53 -4.98 0.04 0.00 1.23 0.00 0.00 39.78 36.60 3hjs n ASN 110 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3hjs s SER 111 N -2.52 5.31 0.34 1.20 1.04 -1.26 -4.89 113.70 112.93 3hjs s SER 111 Ca 0.22 2.66 -0.27 0.00 0.48 0.00 0.00 55.95 59.03 3hjs s SER 111 Cb -0.10 -2.63 -0.12 0.00 0.10 0.00 0.00 66.02 63.28 3hjs s SER 111 CO 0.27 -1.53 1.18 -2.65 0.98 0.00 0.00 173.24 171.48 3hjs n PRO 112 N -1.10 1.82 -2.53 4.02 -0.02 -1.26 -3.68 135.00 132.25 3hjs n PRO 112 Ca 0.11 0.64 -0.36 0.00 -2.02 0.00 0.00 63.50 61.86 3hjs n PRO 112 Cb 0.46 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 3hjs n PRO 112 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hjs s GLU 113 N -1.84 4.14 0.11 -0.52 2.02 -1.26 -0.58 118.70 120.77 3hjs s GLU 113 Ca 0.57 1.52 0.04 0.00 0.02 0.00 0.00 54.97 57.13 3hjs s GLU 113 Cb -0.60 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 3hjs s GLU 113 CO 0.61 -0.16 -0.11 -0.51 0.02 0.00 0.00 175.26 175.11 3hjs s LEU 114 N -2.67 2.42 0.87 1.80 1.43 0.12 -4.83 118.68 117.82 3hjs s LEU 114 Ca 0.58 -0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 3hjs s LEU 114 Cb -0.22 -0.34 0.11 0.00 0.03 0.00 0.00 46.19 45.77 3hjs s LEU 114 CO 0.28 -0.26 1.10 -2.84 0.23 0.00 0.00 176.35 174.86 3hjs s PRO 115 N -2.92 1.48 0.58 1.29 0.02 -1.26 -0.40 135.00 133.79 3hjs s PRO 115 Ca 0.08 0.64 0.36 0.00 0.02 0.00 0.00 61.00 62.10 3hjs s PRO 115 Cb -0.02 -1.85 1.64 0.00 0.02 0.00 0.00 34.50 34.29 3hjs s PRO 115 CO 0.00 -2.04 2.08 0.66 -0.33 0.00 0.00 177.00 177.37 3hjs h SER 116 N -1.40 0.00 -3.52 2.53 4.64 -1.77 -3.33 113.55 110.71 3hjs h SER 116 Ca -0.49 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.16 3hjs h SER 116 Cb 1.29 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 63.03 3hjs h SER 116 CO 0.58 0.00 -0.80 -0.75 -0.87 0.00 0.00 176.83 174.99 3hjs s LYS 117 N -3.79 2.65 0.28 4.77 2.20 -1.26 -0.26 119.74 124.33 3hjs s LYS 117 Ca -0.00 -1.08 -0.18 0.00 -0.36 0.00 0.00 55.97 54.34 3hjs s LYS 117 Cb 0.10 -2.84 0.02 0.00 -1.51 0.00 0.00 37.83 33.59 3hjs s LYS 117 CO 0.51 -0.42 0.66 0.00 -0.36 0.00 0.00 175.35 175.74 3hjs s THR 119 N -3.84 1.86 0.52 0.00 2.01 -1.26 -1.22 115.64 113.69 3hjs s THR 119 Ca 0.15 -0.96 -0.21 0.00 0.31 0.00 0.00 61.69 60.98 3hjs s THR 119 Cb -0.04 -1.58 -0.06 0.00 0.01 0.00 0.00 72.50 70.83 3hjs s THR 119 CO 0.08 0.52 1.21 -0.76 -0.69 0.00 0.00 174.62 174.98 3hjs s LEU 120 N -0.10 3.88 0.25 4.42 1.43 -0.46 -4.93 118.68 123.16 3hjs s LEU 120 Ca -0.04 2.41 -0.31 0.00 -1.03 0.00 0.00 54.13 55.16 3hjs s LEU 120 Cb -0.13 -4.36 -0.12 0.00 0.03 0.00 0.00 46.19 41.60 3hjs s LEU 120 CO 0.03 -1.23 1.56 -2.65 0.23 0.00 0.00 176.35 174.29 3hjs n PRO 121 N -0.93 2.46 -3.81 1.29 -0.02 -1.26 -4.86 135.00 127.88 3hjs n PRO 121 Ca 0.10 0.88 -0.09 0.00 -2.02 0.00 0.00 63.50 62.37 3hjs n PRO 121 Cb 0.48 -2.64 -0.04 0.00 -0.02 0.00 0.00 33.50 31.29 3hjs n PRO 121 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hjs s MET 122 N -0.00 1.50 0.66 -0.52 0.23 -1.26 -0.57 119.30 119.33 3hjs s MET 122 Ca 0.69 -0.96 -0.05 0.00 -1.03 0.00 0.00 55.69 54.34 3hjs s MET 122 Cb -0.56 0.53 0.05 0.00 -1.53 0.00 0.00 34.83 33.32 3hjs s MET 122 CO 0.45 -0.65 0.96 1.03 -2.03 0.00 0.00 175.02 174.78 3hjs s ARG 123 N -3.91 2.36 0.21 3.16 0.52 -1.26 -4.93 118.95 115.10 3hjs s ARG 123 Ca 0.12 -0.31 -0.10 0.00 -0.52 0.00 0.00 55.73 54.92 3hjs s ARG 123 Cb -0.02 -2.24 0.28 0.00 0.52 0.00 0.00 34.95 33.49 3hjs s ARG 123 CO 0.01 -1.07 1.72 1.49 0.02 0.00 0.00 175.30 177.47 3hjs h GLU 124 N -0.42 0.31 -0.99 3.54 4.81 -2.02 -0.72 114.58 119.09 3hjs h GLU 124 Ca -0.44 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 58.91 3hjs h GLU 124 Cb 1.30 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 30.53 3hjs h GLU 124 CO 0.59 0.20 0.62 0.93 -0.73 0.00 0.00 179.01 180.62 3hjs h GLU 125 N 0.32 0.87 0.00 1.92 3.07 -2.03 -1.94 114.58 116.79 3hjs h GLU 125 Ca 0.30 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 59.04 3hjs h GLU 125 Cb 0.42 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 3hjs h GLU 125 CO -0.35 0.58 -0.36 -0.44 -1.40 0.00 0.00 179.01 177.04 3hjs h ASP 126 N 0.90 0.00 0.32 1.42 3.32 -1.51 -2.84 116.42 118.03 3hjs h ASP 126 Ca 0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.56 3hjs h ASP 126 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3hjs h ASP 126 CO -0.28 0.36 0.00 -0.62 -1.72 0.00 0.00 179.24 176.98 3hjs n GLU 127 N -3.92 0.09 0.00 3.56 1.02 -0.73 -1.98 120.64 118.68 3hjs n GLU 127 Ca -0.02 0.23 0.14 0.00 -0.02 0.00 0.00 57.16 57.49 3hjs n GLU 127 Cb 0.42 -1.50 0.56 0.00 -0.02 0.00 0.00 31.44 30.90 3hjs n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hjs n LYS 128 N -1.39 0.51 -3.56 3.49 5.02 -1.07 -4.88 118.16 116.28 3hjs n LYS 128 Ca 0.04 -0.18 -0.32 0.00 -2.02 0.00 0.00 58.31 55.83 3hjs n LYS 128 Cb 0.12 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 3hjs n LYS 128 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hjs s ILE 129 N -2.61 5.07 -0.00 -0.18 -1.09 -0.84 -5.02 121.20 116.52 3hjs s ILE 129 Ca 0.24 0.27 -0.34 0.00 -2.23 0.00 0.00 60.65 58.60 3hjs s ILE 129 Cb 0.20 -3.63 -0.12 0.00 -1.58 0.00 0.00 42.46 37.33 3hjs s ILE 129 CO 0.51 0.05 1.79 0.41 -1.23 0.00 0.00 174.94 176.47 3hjs n THR 130 N 0.17 0.41 -1.58 2.92 -1.04 -1.26 -4.88 114.28 109.02 3hjs n THR 130 Ca -0.02 -0.07 -0.33 0.00 -2.04 0.00 0.00 64.05 61.58 3hjs n THR 130 Cb 0.52 -1.80 0.07 0.00 -1.82 0.00 0.00 70.33 67.30 3hjs n THR 130 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3hjs s PRO 131 N 3.09 2.46 -0.08 -2.82 0.02 -1.26 -2.12 135.00 134.30 3hjs s PRO 131 Ca 0.88 1.52 0.02 0.00 0.02 0.00 0.00 61.00 63.44 3hjs s PRO 131 Cb -0.67 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 31.96 3hjs s PRO 131 CO 0.47 -1.53 -0.15 -1.17 -0.33 0.00 0.00 177.00 174.28 3hjs s LEU 132 N -5.08 1.73 -0.26 -5.54 2.96 -0.08 -1.86 118.68 110.55 3hjs s LEU 132 Ca 0.69 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 54.22 3hjs s LEU 132 Cb -0.24 -0.99 0.03 0.00 0.50 0.00 0.00 46.19 45.50 3hjs s LEU 132 CO 0.44 0.05 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.77 3hjs s VAL 133 N 0.69 2.81 -0.23 1.68 1.01 0.31 -0.10 120.40 126.57 3hjs s VAL 133 Ca -0.13 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 60.67 3hjs s VAL 133 Cb -0.16 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.75 3hjs s VAL 133 CO 0.03 0.13 -0.06 0.12 0.00 0.00 0.00 175.10 175.32 3hjs s PHE 134 N 1.29 2.99 0.21 5.22 5.36 0.45 -1.63 117.98 131.88 3hjs s PHE 134 Ca -0.02 -1.29 0.11 0.00 -0.96 0.00 0.00 56.93 54.78 3hjs s PHE 134 Cb -0.17 -2.07 -0.05 0.00 -0.34 0.00 0.00 43.02 40.39 3hjs s PHE 134 CO -0.04 -0.66 -0.22 -1.12 -1.46 0.00 0.00 175.22 171.71 3hjs s SER 135 N 1.39 3.51 0.00 6.13 0.01 0.04 0.17 113.70 124.95 3hjs s SER 135 Ca 0.03 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.39 3hjs s SER 135 Cb -0.15 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.79 3hjs s SER 135 CO -0.05 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.31 3hjs n GLY 136 N 0.03 -0.75 3.05 3.44 0.00 -0.89 -0.08 105.19 110.00 3hjs n GLY 136 Ca -0.11 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 3hjs n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hjs s GLN 137 N -1.32 0.20 -0.14 1.61 0.74 -1.26 -1.04 119.66 118.45 3hjs s GLN 137 Ca 0.00 0.25 -0.23 0.00 0.05 0.00 0.00 55.36 55.42 3hjs s GLN 137 Cb 0.00 0.10 -0.03 0.00 1.10 0.00 0.00 33.01 34.18 3hjs s GLN 137 CO 0.00 -0.03 0.73 0.08 -0.55 0.00 0.00 175.29 175.52 3hjs s VAL 138 N 0.11 4.98 0.32 1.34 1.01 0.71 -1.51 120.40 127.36 3hjs s VAL 138 Ca -0.00 1.44 0.04 0.00 0.00 0.00 0.00 61.98 63.45 3hjs s VAL 138 Cb -0.01 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 3hjs s VAL 138 CO 0.00 0.13 0.05 0.42 0.00 0.00 0.00 175.10 175.70 3hjs s THR 139 N 1.61 1.20 0.26 3.92 -4.23 0.38 -1.43 115.64 117.34 3hjs s THR 139 Ca 0.35 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.84 3hjs s THR 139 Cb -0.17 -2.77 0.05 0.00 1.34 0.00 0.00 72.50 70.95 3hjs s THR 139 CO 0.14 -0.02 0.35 -0.90 -0.54 0.00 0.00 174.62 173.65 3hjs n ASP 140 N -0.68 0.31 0.27 3.99 5.68 -0.27 -0.77 116.55 125.09 3hjs n ASP 140 Ca -0.02 -1.30 0.14 0.00 -0.50 0.00 0.00 54.79 53.11 3hjs n ASP 140 Cb 0.66 -0.24 0.76 0.00 -1.14 0.00 0.00 41.12 41.17 3hjs n ASP 140 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3hjs h LEU 141 N 0.00 0.00 -0.45 -2.12 3.38 -1.91 -1.51 115.31 112.70 3hjs h LEU 141 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3hjs h LEU 141 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3hjs h LEU 141 CO 0.11 0.10 -0.15 0.47 0.09 0.00 0.00 178.44 179.05 3hjs n ASP 142 N -3.52 0.85 0.00 -0.43 8.00 -1.26 -4.92 116.55 115.27 3hjs n ASP 142 Ca -0.02 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.62 3hjs n ASP 142 Cb 0.23 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 3hjs n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hjs n GLY 143 N 1.28 0.77 3.71 0.44 0.00 -0.57 -5.07 105.19 105.75 3hjs n GLY 143 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3hjs n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hjs s ASN 144 N -2.40 7.22 0.21 1.61 -0.87 -1.26 -4.73 114.94 114.72 3hjs s ASN 144 Ca 0.00 1.82 -0.32 0.00 -1.57 0.00 0.00 52.86 52.78 3hjs s ASN 144 Cb 0.00 -2.57 -0.12 0.00 -0.02 0.00 0.00 41.25 38.53 3hjs s ASN 144 CO 0.00 -0.37 1.67 0.61 -2.57 0.00 0.00 177.10 176.44 3hjs n GLY 145 N 3.07 1.40 3.62 0.66 0.00 -1.26 -1.11 105.19 111.57 3hjs n GLY 145 Ca 0.08 0.61 -0.37 0.00 0.00 0.00 0.00 46.02 46.33 3hjs n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hjs s LEU 146 N 0.94 4.07 0.55 0.99 1.43 -0.52 -4.82 118.68 121.32 3hjs s LEU 146 Ca 0.75 0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.75 3hjs s LEU 146 Cb -0.55 -2.13 -0.06 0.00 0.03 0.00 0.00 46.19 43.48 3hjs s LEU 146 CO 0.35 -0.00 1.02 0.00 0.23 0.00 0.00 176.35 177.95 3hjs s ALA 147 N 1.44 2.92 -0.01 4.21 0.00 -1.25 -3.10 121.76 125.95 3hjs s ALA 147 Ca 0.08 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.32 3hjs s ALA 147 Cb -0.15 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3hjs s ALA 147 CO 0.08 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.75 3hjs n GLY 148 N -1.29 0.45 3.85 0.00 0.00 -1.26 -4.55 105.19 102.39 3hjs n GLY 148 Ca 0.08 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 3hjs n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hjs s ALA 149 N -2.00 3.46 0.07 4.61 0.00 -1.26 -4.29 121.76 122.35 3hjs s ALA 149 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 51.95 3hjs s ALA 149 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 3hjs s ALA 149 CO 0.00 0.41 -0.16 0.15 0.00 0.00 0.00 175.76 176.15 3hjs s LYS 150 N -2.59 0.99 -0.23 0.00 1.02 -0.28 -1.49 119.74 117.16 3hjs s LYS 150 Ca 0.47 -0.94 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 3hjs s LYS 150 Cb -0.12 -1.07 0.06 0.00 -0.52 0.00 0.00 37.83 36.18 3hjs s LYS 150 CO 0.19 0.25 -0.01 0.08 -0.92 0.00 0.00 175.35 174.95 3hjs s VAL 151 N -1.07 1.14 -0.21 3.17 1.01 -0.50 -1.12 120.40 122.82 3hjs s VAL 151 Ca 0.02 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 60.82 3hjs s VAL 151 Cb -0.09 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3hjs s VAL 151 CO 0.02 -0.20 0.35 -1.61 0.00 0.00 0.00 175.10 173.66 3hjs s GLU 152 N 1.56 4.15 -0.01 2.72 2.02 -0.07 0.05 118.70 129.12 3hjs s GLU 152 Ca -0.02 0.09 0.07 0.00 0.02 0.00 0.00 54.97 55.13 3hjs s GLU 152 Cb -0.18 -3.54 -0.02 0.00 0.10 0.00 0.00 34.13 30.49 3hjs s GLU 152 CO -0.08 -0.03 -0.21 -1.17 0.02 0.00 0.00 175.26 173.79 3hjs s LEU 153 N 1.28 2.05 0.04 1.80 2.96 -0.45 -1.14 118.68 125.23 3hjs s LEU 153 Ca 0.16 -0.40 -0.19 0.00 -0.22 0.00 0.00 54.13 53.48 3hjs s LEU 153 Cb -0.14 -1.09 0.04 0.00 0.50 0.00 0.00 46.19 45.49 3hjs s LEU 153 CO 0.07 0.25 0.44 -1.66 -1.32 0.00 0.00 176.35 174.13 3hjs s TRP 154 N -0.53 -0.30 0.11 5.38 -2.14 -0.51 -2.10 118.94 118.85 3hjs s TRP 154 Ca 0.08 0.30 -0.26 0.00 2.66 0.00 0.00 56.10 58.89 3hjs s TRP 154 Cb -0.08 0.24 0.08 0.00 -3.10 0.00 0.00 33.47 30.61 3hjs s TRP 154 CO -0.01 -0.58 1.07 -3.38 -2.66 0.00 0.00 176.95 171.40 3hjs s HIS 155 N -2.37 -0.06 0.54 1.66 -3.43 -1.10 -1.26 115.29 109.27 3hjs s HIS 155 Ca -0.06 -0.22 -0.10 0.00 -0.80 0.00 0.00 55.06 53.89 3hjs s HIS 155 Cb -0.01 0.63 -0.05 0.00 -1.43 0.00 0.00 32.58 31.72 3hjs s HIS 155 CO -0.01 -0.70 0.92 0.00 -2.00 0.00 0.00 174.74 172.94 3hjs s ALA 156 N -2.78 3.22 0.76 -1.38 0.00 -1.26 -4.75 121.76 115.57 3hjs s ALA 156 Ca 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 3hjs s ALA 156 Cb -0.00 -2.88 0.13 0.00 0.00 0.00 0.00 23.12 20.37 3hjs s ALA 156 CO 0.01 -0.44 1.04 0.16 0.00 0.00 0.00 175.76 176.53 3hjs s ASP 157 N -3.89 4.18 0.36 0.00 1.47 -0.56 -4.70 116.67 113.53 3hjs s ASP 157 Ca 0.53 -0.22 0.25 0.00 1.18 0.00 0.00 52.55 54.28 3hjs s ASP 157 Cb -0.11 -0.12 1.30 0.00 -0.34 0.00 0.00 42.92 43.66 3hjs s ASP 157 CO 0.46 -1.98 1.77 -1.13 0.68 0.00 0.00 175.17 174.96 3hjs h ASN 158 N -0.70 0.00 0.30 2.11 -1.24 -1.90 0.16 115.58 114.32 3hjs h ASN 158 Ca -0.38 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.63 3hjs h ASN 158 Cb 1.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.31 3hjs h ASN 158 CO 0.41 0.00 -0.16 0.47 -1.29 0.00 0.00 177.43 176.86 3hjs n ASP 159 N -2.39 0.71 -0.10 1.15 8.00 -1.26 -4.93 116.55 117.73 3hjs n ASP 159 Ca -0.01 -0.72 -0.01 0.00 0.71 0.00 0.00 54.79 54.76 3hjs n ASP 159 Cb 0.08 0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3hjs n ASP 159 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hjs n GLY 160 N 1.30 0.34 3.52 0.44 0.00 0.57 -5.05 105.19 106.31 3hjs n GLY 160 Ca 0.14 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 3hjs n GLY 160 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hjs s TYR 161 N -2.05 2.63 -0.10 1.61 1.51 -1.25 -4.80 117.35 114.90 3hjs s TYR 161 Ca 0.00 -0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 55.82 3hjs s TYR 161 Cb 0.00 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 3hjs s TYR 161 CO 0.00 0.37 0.03 0.71 -1.11 0.00 0.00 175.55 175.55 3hjs s TYR 162 N -1.12 3.24 0.51 2.71 1.51 -1.26 -1.50 117.35 121.44 3hjs s TYR 162 Ca 0.18 0.22 -0.23 0.00 -1.01 0.00 0.00 57.07 56.24 3hjs s TYR 162 Cb -0.11 -1.84 -0.07 0.00 -0.11 0.00 0.00 41.96 39.83 3hjs s TYR 162 CO 0.10 0.47 1.30 -1.13 -1.11 0.00 0.00 175.55 175.19 3hjs n SER 163 N 2.27 2.53 0.00 2.29 3.41 -1.26 -1.75 113.62 121.11 3hjs n SER 163 Ca -0.19 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 3hjs n SER 163 Cb 0.54 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 3hjs n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjs n GLN 164 N -0.64 -0.10 -0.51 4.33 6.02 -1.26 -4.76 117.38 120.46 3hjs n GLN 164 Ca 0.09 0.03 0.05 0.00 -0.01 0.00 0.00 57.00 57.15 3hjs n GLN 164 Cb 0.43 -3.49 0.07 0.00 1.02 0.00 0.00 30.24 28.28 3hjs n GLN 164 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3hjs n PHE 165 N -2.06 0.00 -3.46 1.08 3.01 -0.72 -4.97 117.46 110.35 3hjs n PHE 165 Ca 0.00 -0.57 0.01 0.00 1.01 0.00 0.00 57.45 57.90 3hjs n PHE 165 Cb 0.03 -0.12 -0.03 0.00 -0.01 0.00 0.00 39.48 39.35 3hjs n PHE 165 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hjs s ALA 166 N -1.32 -2.20 0.56 4.37 0.00 -1.20 -4.69 121.76 117.29 3hjs s ALA 166 Ca 0.20 2.14 0.26 0.00 0.00 0.00 0.00 51.96 54.56 3hjs s ALA 166 Cb 0.19 -1.95 1.52 0.00 0.00 0.00 0.00 23.12 22.89 3hjs s ALA 166 CO -0.02 -1.08 2.07 -1.00 0.00 0.00 0.00 175.76 175.74 3hjs h PRO 167 N 7.97 0.00 0.00 0.00 0.13 -1.93 -2.66 132.00 135.51 3hjs h PRO 167 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3hjs h PRO 167 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3hjs h PRO 167 CO 0.15 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.53 3hjs n HIS 168 N -4.07 0.00 -3.79 1.56 1.44 -1.26 -4.87 115.22 104.23 3hjs n HIS 168 Ca 0.03 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.38 3hjs n HIS 168 Cb 0.37 -0.45 -0.06 0.00 0.12 0.00 0.00 29.99 29.98 3hjs n HIS 168 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3hjs s LEU 169 N -2.90 4.39 0.64 2.39 1.43 -1.01 -5.07 118.68 118.55 3hjs s LEU 169 Ca 0.15 0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 53.63 3hjs s LEU 169 Cb 0.17 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 3hjs s LEU 169 CO 0.45 0.33 1.17 -2.65 0.23 0.00 0.00 176.35 175.88 3hjs n PRO 170 N 1.55 1.01 0.25 1.29 -0.02 -1.26 -4.62 135.00 133.20 3hjs n PRO 170 Ca -0.15 0.40 0.16 0.00 -2.02 0.00 0.00 63.50 61.89 3hjs n PRO 170 Cb 0.54 -2.40 0.62 0.00 -0.02 0.00 0.00 33.50 32.24 3hjs n PRO 170 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hjs h GLU 171 N 0.48 0.00 -0.14 -0.52 4.11 -1.97 -2.19 114.58 114.35 3hjs h GLU 171 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.92 3hjs h GLU 171 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 3hjs h GLU 171 CO 0.52 0.00 -0.02 0.91 0.07 0.00 0.00 179.01 180.49 3hjs n TRP 172 N -2.92 0.50 -1.67 2.06 5.03 -1.26 -4.35 117.44 114.83 3hjs n TRP 172 Ca 0.01 -0.99 -0.45 0.00 3.03 0.00 0.00 57.50 59.09 3hjs n TRP 172 Cb 0.30 -0.25 -0.04 0.00 -1.03 0.00 0.00 31.31 30.30 3hjs n TRP 172 CO 0.00 0.00 0.00 -1.71 -0.03 0.00 0.00 177.69 175.95 3hjs n ASN 173 N -0.98 3.76 -3.49 -0.99 4.05 -0.82 -1.85 115.26 114.93 3hjs n ASN 173 Ca 0.20 0.95 -0.21 0.00 0.45 0.00 0.00 54.58 55.96 3hjs n ASN 173 Cb 0.78 -1.44 0.08 0.00 1.23 0.00 0.00 39.78 40.43 3hjs n ASN 173 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3hjs n LEU 174 N 6.80 -3.57 -3.85 1.20 4.77 0.26 -4.28 117.00 118.32 3hjs n LEU 174 Ca 0.21 -0.55 -0.12 0.00 -0.03 0.00 0.00 56.01 55.52 3hjs n LEU 174 Cb 0.34 -3.02 -0.13 0.00 -2.33 0.00 0.00 43.42 38.29 3hjs n LEU 174 CO 0.70 0.56 -0.28 -0.13 -1.33 0.00 0.00 177.39 176.92 3hjs s ARG 175 N -6.01 0.11 -0.04 3.23 0.52 -0.77 -2.70 118.95 113.29 3hjs s ARG 175 Ca 0.40 0.04 -0.30 0.00 -0.52 0.00 0.00 55.73 55.35 3hjs s ARG 175 Cb -0.18 0.05 0.11 0.00 0.52 0.00 0.00 34.95 35.45 3hjs s ARG 175 CO 0.72 -0.02 0.98 0.20 0.02 0.00 0.00 175.30 177.20 3hjs s GLY 176 N -0.10 -0.40 -0.36 -3.53 0.00 -0.89 -4.52 107.32 97.51 3hjs s GLY 176 Ca -0.01 1.08 -0.04 0.00 0.00 0.00 0.00 44.72 45.75 3hjs s GLY 176 CO 0.00 0.35 0.12 -1.59 0.00 0.00 0.00 173.10 171.98 3hjs s THR 177 N -2.94 3.39 -0.28 0.90 2.01 0.25 -1.33 115.64 117.65 3hjs s THR 177 Ca 0.07 -1.56 -0.25 0.00 0.31 0.00 0.00 61.69 60.26 3hjs s THR 177 Cb -0.01 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.42 3hjs s THR 177 CO -0.07 -0.36 0.86 -0.63 -0.69 0.00 0.00 174.62 173.73 3hjs s ILE 178 N 1.27 4.77 -0.45 1.82 1.09 0.11 0.12 121.20 129.92 3hjs s ILE 178 Ca 0.01 1.47 -0.28 0.00 -1.10 0.00 0.00 60.65 60.75 3hjs s ILE 178 Cb -0.21 -4.18 0.03 0.00 -1.06 0.00 0.00 42.46 37.04 3hjs s ILE 178 CO -0.01 -0.20 1.06 -0.63 -0.10 0.00 0.00 174.94 175.06 3hjs s ILE 179 N 3.01 4.33 0.77 2.92 -1.09 0.47 -1.41 121.20 130.20 3hjs s ILE 179 Ca 0.36 1.14 -0.11 0.00 -2.23 0.00 0.00 60.65 59.81 3hjs s ILE 179 Cb -0.14 -4.52 0.05 0.00 -1.58 0.00 0.00 42.46 36.27 3hjs s ILE 179 CO 0.10 -0.88 1.08 0.00 -1.23 0.00 0.00 174.94 174.01 3hjs s ALA 180 N 4.13 2.30 0.99 9.38 0.00 -0.56 -2.16 121.76 135.85 3hjs s ALA 180 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 51.96 52.30 3hjs s ALA 180 Cb -0.09 -3.17 0.14 0.00 0.00 0.00 0.00 23.12 20.00 3hjs s ALA 180 CO 0.28 -1.65 0.81 -0.40 0.00 0.00 0.00 175.76 174.81 3hjs n ASP 181 N -3.41 0.07 0.29 0.00 5.75 -0.69 -4.61 116.55 113.95 3hjs n ASP 181 Ca 0.08 -1.30 0.20 0.00 -0.01 0.00 0.00 54.79 53.75 3hjs n ASP 181 Cb 0.55 -0.62 1.03 0.00 -1.03 0.00 0.00 41.12 41.04 3hjs n ASP 181 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 3hjs h GLU 182 N 0.00 0.00 -0.01 0.11 -0.00 -1.92 0.15 114.58 112.91 3hjs h GLU 182 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.10 3hjs h GLU 182 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.48 3hjs h GLU 182 CO 0.19 0.00 -0.47 -0.85 -0.00 0.00 0.00 179.01 177.88 3hjs n GLU 183 N -2.86 0.94 -0.50 1.06 -0.00 -1.26 -3.89 120.64 114.13 3hjs n GLU 183 Ca -0.02 -0.72 0.00 0.00 -0.00 0.00 0.00 57.16 56.41 3hjs n GLU 183 Cb 0.08 -1.49 0.00 0.00 -0.00 0.00 0.00 31.44 30.03 3hjs n GLU 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3hjs n GLY 184 N 1.41 0.71 3.86 -1.84 0.00 0.52 -3.38 105.19 106.47 3hjs n GLY 184 Ca 0.09 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 3hjs n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hjs s ARG 185 N -0.86 3.89 0.03 1.61 0.52 -1.26 -0.21 118.95 122.67 3hjs s ARG 185 Ca 0.00 0.46 -0.06 0.00 -0.52 0.00 0.00 55.73 55.60 3hjs s ARG 185 Cb 0.00 -2.54 -0.01 0.00 0.52 0.00 0.00 34.95 32.93 3hjs s ARG 185 CO 0.00 0.23 0.11 1.52 0.02 0.00 0.00 175.30 177.18 3hjs s TYR 186 N -1.92 0.15 -0.21 -0.53 1.13 -0.21 -1.71 117.35 114.06 3hjs s TYR 186 Ca 0.51 -0.40 -0.04 0.00 -1.41 0.00 0.00 57.07 55.73 3hjs s TYR 186 Cb -0.11 -0.11 0.08 0.00 -1.10 0.00 0.00 41.96 40.73 3hjs s TYR 186 CO 0.20 -0.35 0.16 -2.00 -2.51 0.00 0.00 175.55 171.04 3hjs s GLU 187 N -2.31 0.14 -0.13 -3.49 2.12 0.64 -2.10 118.70 113.57 3hjs s GLU 187 Ca -0.07 -0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.24 3hjs s GLU 187 Cb -0.03 -1.45 0.01 0.00 0.26 0.00 0.00 34.13 32.93 3hjs s GLU 187 CO -0.03 -0.73 -0.21 0.42 -0.54 0.00 0.00 175.26 174.17 3hjs s ILE 188 N 2.22 1.94 -0.19 -3.70 1.01 0.13 -1.97 121.20 120.64 3hjs s ILE 188 Ca 0.05 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 3hjs s ILE 188 Cb -0.16 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3hjs s ILE 188 CO -0.15 0.53 0.07 -0.89 0.00 0.00 0.00 174.94 174.49 3hjs s THR 189 N 0.82 4.80 0.00 2.92 2.01 -0.36 -0.41 115.64 125.42 3hjs s THR 189 Ca -0.08 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.90 3hjs s THR 189 Cb -0.16 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.18 3hjs s THR 189 CO -0.01 0.45 0.00 1.07 -0.69 0.00 0.00 174.62 175.44 3hjs n THR 190 N 3.63 0.00 -4.09 -0.82 5.66 0.85 -1.36 114.28 118.16 3hjs n THR 190 Ca -0.16 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.58 3hjs n THR 190 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.25 3hjs n THR 190 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3hjs s ILE 191 N -1.16 4.44 -0.30 1.09 -4.36 -1.26 -0.90 121.20 118.74 3hjs s ILE 191 Ca 0.00 -1.12 -0.29 0.00 -0.26 0.00 0.00 60.65 58.98 3hjs s ILE 191 Cb 0.00 -3.27 -0.02 0.00 1.25 0.00 0.00 42.46 40.42 3hjs s ILE 191 CO 0.00 -0.12 1.71 -1.58 0.24 0.00 0.00 174.94 175.19 3hjs s GLN 192 N -3.14 3.51 0.74 0.37 2.00 -0.90 -4.64 119.66 117.61 3hjs s GLN 192 Ca 0.31 1.47 -0.15 0.00 -2.00 0.00 0.00 55.36 55.00 3hjs s GLN 192 Cb -0.10 -4.13 0.05 0.00 0.80 0.00 0.00 33.01 29.63 3hjs s GLN 192 CO 0.23 -1.64 1.20 -2.14 -0.50 0.00 0.00 175.29 172.43 3hjs s PRO 193 N 5.27 2.08 0.29 1.67 0.02 -1.26 -4.84 135.00 138.23 3hjs s PRO 193 Ca 0.76 1.72 0.07 0.00 0.02 0.00 0.00 61.00 63.57 3hjs s PRO 193 Cb -0.23 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.40 3hjs s PRO 193 CO 0.32 -1.87 -0.07 0.00 -0.33 0.00 0.00 177.00 175.06 3hjs s ALA 194 N -2.06 2.46 0.51 -1.55 0.00 -1.26 -4.77 121.76 115.09 3hjs s ALA 194 Ca 0.73 -1.93 -0.21 0.00 0.00 0.00 0.00 51.96 50.55 3hjs s ALA 194 Cb -0.28 0.13 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 3hjs s ALA 194 CO 0.46 -0.04 0.84 -2.30 0.00 0.00 0.00 175.76 174.73 3hjs n PRO 195 N -0.62 0.94 -4.08 0.00 -0.02 -1.26 -4.41 135.00 125.55 3hjs n PRO 195 Ca -0.05 0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 61.43 3hjs n PRO 195 Cb 0.63 -1.95 -0.13 0.00 -0.02 0.00 0.00 33.50 32.02 3hjs n PRO 195 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hjs s TYR 196 N -1.48 2.97 -0.15 6.00 5.04 -0.76 -4.75 117.35 124.22 3hjs s TYR 196 Ca 0.69 -0.71 -0.23 0.00 -2.44 0.00 0.00 57.07 54.37 3hjs s TYR 196 Cb -0.49 -2.06 -0.02 0.00 0.35 0.00 0.00 41.96 39.73 3hjs s TYR 196 CO 0.53 -0.38 0.73 -1.14 -1.34 0.00 0.00 175.55 173.95 3hjs s GLN 197 N 1.15 4.32 0.56 4.97 0.74 -1.26 -0.37 119.66 129.76 3hjs s GLN 197 Ca 0.02 0.86 -0.20 0.00 0.05 0.00 0.00 55.36 56.09 3hjs s GLN 197 Cb -0.15 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.38 3hjs s GLN 197 CO -0.00 -0.18 1.26 0.96 -0.55 0.00 0.00 175.29 176.77 3hjs s ILE 198 N 1.67 2.48 0.02 -2.34 -4.36 -0.13 -4.91 121.20 113.62 3hjs s ILE 198 Ca 0.35 0.33 -0.37 0.00 -0.26 0.00 0.00 60.65 60.70 3hjs s ILE 198 Cb -0.17 -3.15 -0.16 0.00 1.25 0.00 0.00 42.46 40.23 3hjs s ILE 198 CO 0.14 -0.04 1.46 -2.65 0.24 0.00 0.00 174.94 174.09 3hjs n PRO 199 N -1.24 1.28 0.00 0.37 -0.02 -1.26 -4.88 135.00 129.26 3hjs n PRO 199 Ca 0.12 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3hjs n PRO 199 Cb 0.48 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3hjs n PRO 199 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hjs n THR 200 N 3.09 0.78 1.00 3.45 -2.24 -1.26 -4.04 114.28 115.06 3hjs n THR 200 Ca 0.20 -0.85 0.10 0.00 -2.27 0.00 0.00 64.05 61.22 3hjs n THR 200 Cb 0.19 0.62 0.51 0.00 -2.10 0.00 0.00 70.33 69.56 3hjs n THR 200 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hjs n ASP 201 N -0.39 0.00 -1.35 3.42 5.68 -1.26 -4.39 116.55 118.26 3hjs n ASP 201 Ca 0.00 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 3hjs n ASP 201 Cb 0.23 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 3hjs n ASP 201 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hjs n GLY 202 N 0.33 5.03 0.36 6.12 0.00 -1.26 -4.98 105.19 110.79 3hjs n GLY 202 Ca 0.11 -2.07 0.05 0.00 0.00 0.00 0.00 46.02 44.11 3hjs n GLY 202 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hjs h PRO 203 N 0.00 0.89 -0.15 1.61 0.11 -1.90 -1.21 132.00 131.34 3hjs h PRO 203 Ca 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 3hjs h PRO 203 Cb 0.00 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.90 3hjs h PRO 203 CO 0.00 0.59 0.01 1.15 -0.21 0.00 0.00 178.00 179.54 3hjs h THR 204 N 0.91 1.24 -0.64 -1.15 2.02 -1.94 -0.61 112.91 112.74 3hjs h THR 204 Ca 0.37 -0.78 0.07 0.00 0.77 0.00 0.00 66.41 66.83 3hjs h THR 204 Cb 0.26 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 3hjs h THR 204 CO -0.14 0.23 0.33 1.23 0.37 0.00 0.00 175.52 177.54 3hjs h GLY 205 N 0.02 0.94 0.59 2.16 0.00 -1.58 -1.58 103.07 103.62 3hjs h GLY 205 Ca 0.05 -0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.21 3hjs h GLY 205 CO 0.01 0.10 0.14 -1.61 0.00 0.00 0.00 176.54 175.18 3hjs h GLN 206 N 0.60 0.29 -0.35 4.80 4.15 -0.99 0.16 115.11 123.78 3hjs h GLN 206 Ca 0.30 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.77 3hjs h GLN 206 Cb 0.25 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.81 3hjs h GLN 206 CO -0.22 0.19 -0.04 0.35 -1.93 0.00 0.00 178.83 177.19 3hjs h PHE 207 N 0.30 -0.10 -0.23 3.99 3.57 -0.48 -0.81 116.94 123.19 3hjs h PHE 207 Ca 0.20 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 3hjs h PHE 207 Cb 0.20 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3hjs h PHE 207 CO -0.16 -0.11 -0.01 0.82 -2.23 0.00 0.00 178.31 176.62 3hjs h ILE 208 N 0.05 1.26 -0.18 1.41 2.04 -0.84 -3.16 117.51 118.09 3hjs h ILE 208 Ca 0.17 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.13 3hjs h ILE 208 Cb 0.25 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3hjs h ILE 208 CO -0.32 0.29 -0.01 -0.08 0.00 0.00 0.00 178.15 178.03 3hjs h GLU 209 N 0.17 0.05 -0.09 2.37 4.57 -0.58 -0.65 114.58 120.41 3hjs h GLU 209 Ca 0.06 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.27 3hjs h GLU 209 Cb 0.43 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3hjs h GLU 209 CO 0.01 0.03 0.25 0.00 -1.18 0.00 0.00 179.01 178.12 3hjs h ALA 210 N 1.16 1.47 -0.11 2.92 0.00 -1.13 -1.59 119.26 121.99 3hjs h ALA 210 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hjs h ALA 210 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hjs h ALA 210 CO -0.15 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.81 3hjs n GLN 211 N -3.25 2.09 -3.20 0.00 10.64 -0.89 -4.97 117.38 117.79 3hjs n GLN 211 Ca -0.00 -2.56 -0.23 0.00 -1.83 0.00 0.00 57.00 52.38 3hjs n GLN 211 Cb 0.33 -1.57 0.02 0.00 -0.86 0.00 0.00 30.24 28.17 3hjs n GLN 211 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3hjs n ASN 212 N -0.93 -5.28 -2.00 2.61 3.02 -0.60 -4.98 115.26 107.10 3hjs n ASN 212 Ca 0.16 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 3hjs n ASN 212 Cb 0.69 -4.28 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 3hjs n ASN 212 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hjs n GLY 213 N -1.44 -0.10 3.13 7.41 0.00 -0.30 -5.03 105.19 108.86 3hjs n GLY 213 Ca -0.07 -1.82 -0.19 0.00 0.00 0.00 0.00 46.02 43.94 3hjs n GLY 213 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hjs s HIS 214 N -0.30 1.12 -0.54 1.61 -3.43 -1.26 -4.72 115.29 107.77 3hjs s HIS 214 Ca 0.00 -0.38 0.01 0.00 -0.80 0.00 0.00 55.06 53.89 3hjs s HIS 214 Cb 0.00 -0.66 0.54 0.00 -1.43 0.00 0.00 32.58 31.03 3hjs s HIS 214 CO 0.00 0.02 1.96 -0.35 -2.00 0.00 0.00 174.74 174.38 3hjs n PRO 215 N 1.77 2.41 -4.33 -0.38 -0.04 -1.26 -4.69 135.00 128.48 3hjs n PRO 215 Ca -0.19 -3.02 -0.33 0.00 -0.04 0.00 0.00 63.50 59.92 3hjs n PRO 215 Cb 0.55 -2.18 -0.09 0.00 -0.04 0.00 0.00 33.50 31.73 3hjs n PRO 215 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3hjs s TRP 216 N -3.42 3.06 0.03 0.54 0.52 -1.26 -0.96 118.94 117.45 3hjs s TRP 216 Ca 0.59 0.08 0.04 0.00 0.02 0.00 0.00 56.10 56.83 3hjs s TRP 216 Cb 0.47 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 31.08 3hjs s TRP 216 CO 0.05 0.45 -0.08 1.03 0.02 0.00 0.00 176.95 178.41 3hjs s ARG 217 N -1.41 2.43 0.98 4.98 0.52 0.49 -1.67 118.95 125.27 3hjs s ARG 217 Ca 0.18 -0.80 -0.11 0.00 -0.52 0.00 0.00 55.73 54.48 3hjs s ARG 217 Cb -0.11 -2.44 0.18 0.00 0.52 0.00 0.00 34.95 33.10 3hjs s ARG 217 CO 0.08 0.58 1.10 -0.35 0.02 0.00 0.00 175.30 176.73 3hjs n PRO 218 N 1.38 -0.93 -1.69 3.54 -0.04 -1.26 -1.84 135.00 134.16 3hjs n PRO 218 Ca -0.15 -0.21 -0.44 0.00 -0.04 0.00 0.00 63.50 62.66 3hjs n PRO 218 Cb 0.52 -2.32 -0.02 0.00 -0.04 0.00 0.00 33.50 31.65 3hjs n PRO 218 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hjs n ALA 219 N -4.42 1.57 -3.45 0.55 0.00 -1.26 -4.32 120.51 109.18 3hjs n ALA 219 Ca 0.10 0.40 -0.17 0.00 0.00 0.00 0.00 53.44 53.77 3hjs n ALA 219 Cb 0.53 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.58 3hjs n ALA 219 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3hjs s HIS 220 N -0.05 -0.54 0.05 0.00 -3.43 -1.26 -4.22 115.29 105.83 3hjs s HIS 220 Ca 0.67 0.90 -0.08 0.00 -0.80 0.00 0.00 55.06 55.74 3hjs s HIS 220 Cb -0.60 0.34 -0.05 0.00 -1.43 0.00 0.00 32.58 30.84 3hjs s HIS 220 CO 0.49 -0.56 0.35 -0.51 -2.00 0.00 0.00 174.74 172.51 3hjs s LEU 221 N -1.27 4.36 -0.05 5.38 1.43 -0.74 -4.59 118.68 123.19 3hjs s LEU 221 Ca -0.11 0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 53.67 3hjs s LEU 221 Cb -0.01 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 3hjs s LEU 221 CO 0.08 0.20 0.02 -1.00 0.23 0.00 0.00 176.35 175.89 3hjs s HIS 222 N -1.36 3.19 -0.00 0.29 3.76 -0.39 -1.72 115.29 119.05 3hjs s HIS 222 Ca 0.31 0.19 -0.03 0.00 -0.15 0.00 0.00 55.06 55.38 3hjs s HIS 222 Cb -0.14 -1.76 -0.00 0.00 1.11 0.00 0.00 32.58 31.79 3hjs s HIS 222 CO 0.17 0.50 0.05 -0.51 -0.85 0.00 0.00 174.74 174.11 3hjs s LEU 223 N -1.21 1.87 -0.10 0.89 1.02 -0.55 -1.43 118.68 119.17 3hjs s LEU 223 Ca 0.17 -0.20 0.01 0.00 0.02 0.00 0.00 54.13 54.13 3hjs s LEU 223 Cb -0.12 0.32 0.02 0.00 0.02 0.00 0.00 46.19 46.43 3hjs s LEU 223 CO 0.06 -0.23 -0.13 -0.63 0.02 0.00 0.00 176.35 175.45 3hjs s ILE 224 N -0.93 1.31 -0.05 -0.59 1.01 -0.29 -0.14 121.20 121.52 3hjs s ILE 224 Ca -0.10 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.08 3hjs s ILE 224 Cb -0.06 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 3hjs s ILE 224 CO 0.00 0.40 -0.22 -0.69 0.00 0.00 0.00 174.94 174.43 3hjs s VAL 225 N 1.08 1.85 0.22 2.92 1.01 -0.49 -0.89 120.40 126.10 3hjs s VAL 225 Ca -0.06 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 3hjs s VAL 225 Cb -0.15 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3hjs s VAL 225 CO -0.02 0.52 0.23 -0.94 0.00 0.00 0.00 175.10 174.89 3hjs s SER 226 N -0.08 0.14 -0.19 3.32 1.04 -0.27 -1.86 113.70 115.81 3hjs s SER 226 Ca -0.04 -1.28 -0.30 0.00 0.48 0.00 0.00 55.95 54.81 3hjs s SER 226 Cb -0.13 0.45 0.14 0.00 0.10 0.00 0.00 66.02 66.58 3hjs s SER 226 CO 0.03 -0.94 1.09 0.00 0.98 0.00 0.00 173.24 174.41 3hjs s ALA 227 N -4.08 -1.98 -0.06 5.32 0.00 -1.26 -1.12 121.76 118.57 3hjs s ALA 227 Ca 0.34 1.64 -0.37 0.00 0.00 0.00 0.00 51.96 53.57 3hjs s ALA 227 Cb 0.05 -0.84 -0.15 0.00 0.00 0.00 0.00 23.12 22.18 3hjs s ALA 227 CO 0.12 -0.32 1.61 -2.30 0.00 0.00 0.00 175.76 174.87 3hjs n PRO 228 N 0.60 1.47 -1.06 0.00 -0.02 -1.26 -0.70 135.00 134.03 3hjs n PRO 228 Ca -0.07 0.54 -0.02 0.00 -2.02 0.00 0.00 63.50 61.93 3hjs n PRO 228 Cb 0.58 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 3hjs n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hjs n GLY 229 N 3.58 0.54 3.42 -1.23 0.00 -1.26 -5.00 105.19 105.24 3hjs n GLY 229 Ca 0.22 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 3hjs n GLY 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjs s LYS 230 N -1.31 1.53 -0.07 1.61 -0.14 0.12 -1.76 119.74 119.73 3hjs s LYS 230 Ca 0.00 -1.30 -0.30 0.00 -1.36 0.00 0.00 55.97 53.01 3hjs s LYS 230 Cb 0.00 -1.97 -0.03 0.00 -1.68 0.00 0.00 37.83 34.16 3hjs s LYS 230 CO 0.00 0.46 1.18 -2.00 -0.76 0.00 0.00 175.35 174.23 3hjs s GLU 231 N -2.11 4.35 0.75 1.68 2.12 -0.82 -4.44 118.70 120.23 3hjs s GLU 231 Ca 0.15 1.63 -0.13 0.00 0.36 0.00 0.00 54.97 56.98 3hjs s GLU 231 Cb -0.10 -3.57 0.05 0.00 0.26 0.00 0.00 34.13 30.76 3hjs s GLU 231 CO 0.07 -0.45 1.14 -1.12 -0.54 0.00 0.00 175.26 174.35 3hjs s SER 232 N 1.46 4.38 -0.03 -1.70 0.01 -1.26 -4.34 113.70 112.22 3hjs s SER 232 Ca 0.55 2.07 0.05 0.00 1.31 0.00 0.00 55.95 59.93 3hjs s SER 232 Cb -0.23 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.43 3hjs s SER 232 CO 0.20 -2.13 -0.20 0.54 0.41 0.00 0.00 173.24 172.07 3hjs s VAL 233 N -2.44 1.58 -0.20 3.43 0.11 -0.78 -4.96 120.40 117.15 3hjs s VAL 233 Ca 0.67 -0.83 -0.07 0.00 -2.93 0.00 0.00 61.98 58.83 3hjs s VAL 233 Cb -0.22 -1.34 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 3hjs s VAL 233 CO 0.49 0.45 0.06 -0.89 -3.33 0.00 0.00 175.10 171.87 3hjs s THR 234 N -0.21 4.59 0.35 5.04 2.01 -1.26 -1.39 115.64 124.78 3hjs s THR 234 Ca 0.01 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 3hjs s THR 234 Cb -0.10 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.33 3hjs s THR 234 CO 0.01 0.42 0.49 0.28 -0.69 0.00 0.00 174.62 175.14 3hjs s THR 235 N 0.74 0.00 0.03 -0.82 -1.32 0.80 -1.47 115.64 113.61 3hjs s THR 235 Ca 0.03 -1.58 0.01 0.00 -1.21 0.00 0.00 61.69 58.94 3hjs s THR 235 Cb -0.13 -2.67 -0.02 0.00 -1.51 0.00 0.00 72.50 68.17 3hjs s THR 235 CO 0.02 0.00 -0.05 -1.10 -2.21 0.00 0.00 174.62 171.28 3hjs s GLN 236 N -2.97 0.44 -0.03 7.08 -0.21 -1.26 -1.49 119.66 121.22 3hjs s GLN 236 Ca 0.30 -0.75 0.05 0.00 0.02 0.00 0.00 55.36 54.99 3hjs s GLN 236 Cb -0.01 -0.04 -0.01 0.00 1.00 0.00 0.00 33.01 33.96 3hjs s GLN 236 CO 0.21 -0.02 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.67 3hjs s LEU 237 N -1.70 1.99 0.00 2.90 1.43 -0.70 -4.79 118.68 117.80 3hjs s LEU 237 Ca -0.11 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3hjs s LEU 237 Cb -0.08 -0.95 -0.00 0.00 0.03 0.00 0.00 46.19 45.20 3hjs s LEU 237 CO -0.01 0.19 0.00 -1.22 0.23 0.00 0.00 176.35 175.54 3hjs n TYR 238 N 2.84 0.49 -4.15 0.29 4.01 0.89 -1.80 117.16 119.74 3hjs n TYR 238 Ca -0.16 -1.07 -0.23 0.00 -0.16 0.00 0.00 57.90 56.28 3hjs n TYR 238 Cb 0.53 -0.14 -0.17 0.00 -0.31 0.00 0.00 39.34 39.26 3hjs n TYR 238 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3hjs s PHE 239 N -1.80 1.07 0.28 -0.72 0.40 -1.26 -0.15 117.98 115.80 3hjs s PHE 239 Ca 0.00 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.64 3hjs s PHE 239 Cb 0.00 -0.91 -0.13 0.00 0.51 0.00 0.00 43.02 42.49 3hjs s PHE 239 CO 0.00 -0.30 1.37 1.17 0.70 0.00 0.00 175.22 178.16 3hjs n LYS 240 N 4.36 2.09 -0.67 0.44 4.81 0.56 -0.59 118.16 129.16 3hjs n LYS 240 Ca -0.19 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 3hjs n LYS 240 Cb 0.51 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.18 3hjs n LYS 240 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hjs n GLY 241 N 1.69 1.30 3.75 3.14 0.00 -1.26 -4.99 105.19 108.81 3hjs n GLY 241 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3hjs n GLY 241 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hjs s GLY 242 N -2.00 2.62 0.50 -0.02 0.00 0.24 -4.99 107.32 103.68 3hjs s GLY 242 Ca 0.00 0.92 -0.20 0.00 0.00 0.00 0.00 44.72 45.44 3hjs s GLY 242 CO 0.00 1.31 1.07 1.85 0.00 0.00 0.00 173.10 177.33 3hjs s GLU 243 N -3.47 3.68 0.00 2.90 2.56 -1.26 -3.26 118.70 119.85 3hjs s GLU 243 Ca 0.75 1.46 0.00 0.00 0.00 0.00 0.00 54.97 57.18 3hjs s GLU 243 Cb -0.28 -2.09 0.00 0.00 2.00 0.00 0.00 34.13 33.75 3hjs s GLU 243 CO 0.34 -0.55 0.00 0.91 -0.56 0.00 0.00 175.26 175.40 3hjs n TRP 244 N -1.02 0.00 0.25 5.30 7.02 -1.26 -4.29 117.44 123.44 3hjs n TRP 244 Ca 0.10 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.69 3hjs n TRP 244 Cb 0.52 -0.40 0.66 0.00 -2.42 0.00 0.00 31.31 29.67 3hjs n TRP 244 CO 0.00 0.00 0.00 0.97 -2.02 0.00 0.00 177.69 176.64 3hjs h ILE 245 N 0.00 0.66 -0.03 -0.99 2.10 -1.94 -0.63 117.51 116.67 3hjs h ILE 245 Ca 0.00 -0.65 0.00 0.00 1.08 0.00 0.00 64.86 65.29 3hjs h ILE 245 Cb 0.04 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 3hjs h ILE 245 CO 0.00 0.15 -0.03 -0.90 -1.08 0.00 0.00 178.15 176.29 3hjs n ASP 246 N -3.70 2.89 -2.92 2.19 5.75 -1.26 -4.49 116.55 115.00 3hjs n ASP 246 Ca -0.02 -1.95 -0.13 0.00 -0.01 0.00 0.00 54.79 52.68 3hjs n ASP 246 Cb 0.27 0.03 0.02 0.00 -1.03 0.00 0.00 41.12 40.41 3hjs n ASP 246 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3hjs n SER 247 N 1.23 0.10 -4.68 -1.12 3.41 -0.31 -5.09 113.62 107.15 3hjs n SER 247 Ca 0.14 -3.01 -0.42 0.00 -0.26 0.00 0.00 58.87 55.32 3hjs n SER 247 Cb 0.58 0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 3hjs n SER 247 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hjs s ASP 248 N -2.26 6.80 0.58 4.04 2.15 -0.82 -4.85 116.67 122.30 3hjs s ASP 248 Ca 0.31 2.17 0.28 0.00 0.43 0.00 0.00 52.55 55.74 3hjs s ASP 248 Cb 0.37 -2.56 1.60 0.00 -0.30 0.00 0.00 42.92 42.04 3hjs s ASP 248 CO -0.04 -0.76 2.08 1.62 -0.17 0.00 0.00 175.17 177.89 3hjs h VAL 249 N 4.97 0.51 -0.01 1.11 3.04 -1.60 -1.60 116.25 122.68 3hjs h VAL 249 Ca -0.38 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 3hjs h VAL 249 Cb 1.18 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 3hjs h VAL 249 CO 0.91 0.00 -0.21 0.00 -1.01 0.00 0.00 177.57 177.27 3hjs n ALA 250 N -2.37 2.98 -3.59 3.17 0.00 -1.26 -4.79 120.51 114.64 3hjs n ALA 250 Ca 0.03 -0.51 -0.27 0.00 0.00 0.00 0.00 53.44 52.69 3hjs n ALA 250 Cb 0.37 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.84 3hjs n ALA 250 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hjs n SER 251 N 0.01 -5.14 -0.38 0.00 7.64 -0.60 -4.63 113.62 110.51 3hjs n SER 251 Ca 0.13 -0.57 0.05 0.00 1.01 0.00 0.00 58.87 59.49 3hjs n SER 251 Cb 0.42 -4.12 0.04 0.00 -1.01 0.00 0.00 64.21 59.54 3hjs n SER 251 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hjs n ALA 252 N -4.31 2.47 -2.64 -0.43 0.00 -1.26 -4.86 120.51 109.47 3hjs n ALA 252 Ca -0.00 -0.60 -0.39 0.00 0.00 0.00 0.00 53.44 52.44 3hjs n ALA 252 Cb 0.55 -0.32 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 3hjs n ALA 252 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hjs s THR 253 N -0.79 5.03 0.04 0.00 -4.23 -1.26 -4.69 115.64 109.75 3hjs s THR 253 Ca 0.11 1.26 0.08 0.00 -1.18 0.00 0.00 61.69 61.96 3hjs s THR 253 Cb 0.08 -3.95 -0.03 0.00 1.34 0.00 0.00 72.50 69.94 3hjs s THR 253 CO 0.12 0.33 -0.22 -0.54 -0.54 0.00 0.00 174.62 173.76 3hjs s LYS 254 N 0.43 1.51 0.42 3.99 1.02 -1.26 -5.04 119.74 120.81 3hjs s LYS 254 Ca 0.33 -0.99 0.12 0.00 0.02 0.00 0.00 55.97 55.44 3hjs s LYS 254 Cb -0.17 -1.65 0.97 0.00 -0.52 0.00 0.00 37.83 36.46 3hjs s LYS 254 CO 0.16 0.42 1.99 -1.35 -0.92 0.00 0.00 175.35 175.66 3hjs h PRO 255 N 4.85 0.46 0.00 -1.68 0.11 -1.98 -1.38 132.00 132.38 3hjs h PRO 255 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hjs h PRO 255 Cb 1.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3hjs h PRO 255 CO 0.44 0.30 0.00 0.39 -0.21 0.00 0.00 178.00 178.92 3hjs n GLU 256 N -4.47 0.09 -0.23 1.05 4.71 -1.26 -2.75 120.64 117.77 3hjs n GLU 256 Ca 0.08 0.42 0.07 0.00 -0.01 0.00 0.00 57.16 57.72 3hjs n GLU 256 Cb 0.29 -1.71 0.19 0.00 -1.01 0.00 0.00 31.44 29.20 3hjs n GLU 256 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3hjs n LEU 257 N -1.89 3.19 -4.57 -4.62 4.77 -0.52 -4.92 117.00 108.43 3hjs n LEU 257 Ca 0.02 -2.09 -0.41 0.00 -0.03 0.00 0.00 56.01 53.50 3hjs n LEU 257 Cb 0.14 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 3hjs n LEU 257 CO 0.13 0.76 0.31 -0.63 -1.33 0.00 0.00 177.39 176.63 3hjs s ILE 258 N -1.15 4.97 0.45 -0.08 1.01 -1.11 -0.08 121.20 125.21 3hjs s ILE 258 Ca 0.29 0.56 -0.11 0.00 0.00 0.00 0.00 60.65 61.38 3hjs s ILE 258 Cb 0.16 -3.99 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 3hjs s ILE 258 CO 0.18 -0.21 0.84 -0.76 0.00 0.00 0.00 174.94 174.99 3hjs s LEU 259 N 2.53 3.72 -0.57 2.97 1.43 0.79 -4.80 118.68 124.76 3hjs s LEU 259 Ca 0.22 1.23 0.05 0.00 -1.03 0.00 0.00 54.13 54.61 3hjs s LEU 259 Cb -0.15 -4.15 0.20 0.00 0.03 0.00 0.00 46.19 42.13 3hjs s LEU 259 CO 0.13 -0.49 0.52 -0.67 0.23 0.00 0.00 176.35 176.07 3hjs n ASP 260 N -1.54 1.86 -4.76 2.29 2.03 -1.26 -0.32 116.55 114.84 3hjs n ASP 260 Ca 0.03 -2.98 -0.36 0.00 0.52 0.00 0.00 54.79 52.01 3hjs n ASP 260 Cb 0.54 -0.67 0.02 0.00 -0.72 0.00 0.00 41.12 40.29 3hjs n ASP 260 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3hjs s PRO 261 N -1.29 3.27 -0.08 -0.67 0.02 -1.26 -4.95 135.00 130.04 3hjs s PRO 261 Ca 0.32 1.79 0.01 0.00 0.02 0.00 0.00 61.00 63.15 3hjs s PRO 261 Cb 0.06 -2.09 -0.02 0.00 0.02 0.00 0.00 34.50 32.47 3hjs s PRO 261 CO -0.13 -0.96 -0.12 0.15 -0.33 0.00 0.00 177.00 175.62 3hjs s LYS 262 N -3.13 2.88 -0.10 5.54 -0.14 -0.48 -4.84 119.74 119.47 3hjs s LYS 262 Ca 0.72 -0.65 -0.27 0.00 -1.36 0.00 0.00 55.97 54.42 3hjs s LYS 262 Cb -0.29 -2.53 -0.02 0.00 -1.68 0.00 0.00 37.83 33.31 3hjs s LYS 262 CO 0.33 0.49 0.86 0.99 -0.76 0.00 0.00 175.35 177.26 3hjs s THR 263 N -0.36 4.90 0.85 2.17 2.01 -1.26 -0.16 115.64 123.79 3hjs s THR 263 Ca 0.04 1.75 -0.13 0.00 0.31 0.00 0.00 61.69 63.66 3hjs s THR 263 Cb -0.12 -4.18 0.11 0.00 0.01 0.00 0.00 72.50 68.31 3hjs s THR 263 CO 0.02 0.10 1.19 -0.83 -0.69 0.00 0.00 174.62 174.41 3hjs s GLY 264 N 1.04 1.61 0.60 4.40 0.00 0.81 -4.92 107.32 110.85 3hjs s GLY 264 Ca 0.42 -0.71 0.38 0.00 0.00 0.00 0.00 44.72 44.82 3hjs s GLY 264 CO 0.17 -0.17 2.15 -0.55 0.00 0.00 0.00 173.10 174.71 3hjs h ASP 265 N -1.22 0.00 0.02 1.64 3.32 -1.97 0.87 116.42 119.07 3hjs h ASP 265 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3hjs h ASP 265 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3hjs h ASP 265 CO 0.61 0.01 -0.00 -0.90 -1.72 0.00 0.00 179.24 177.24 3hjs n ASP 266 N -3.12 0.07 0.00 6.45 5.68 -1.26 -4.90 116.55 119.46 3hjs n ASP 266 Ca -0.01 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 3hjs n ASP 266 Cb 0.21 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 3hjs n ASP 266 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hjs n GLY 267 N 1.02 1.07 3.85 6.12 0.00 0.30 -5.03 105.19 112.51 3hjs n GLY 267 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3hjs n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjs s LYS 268 N -0.15 4.01 -0.13 1.61 1.02 -1.26 -4.69 119.74 120.15 3hjs s LYS 268 Ca 0.00 0.66 -0.18 0.00 0.02 0.00 0.00 55.97 56.48 3hjs s LYS 268 Cb 0.00 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 3hjs s LYS 268 CO 0.00 0.19 0.46 -0.80 -0.92 0.00 0.00 175.35 174.28 3hjs s ASN 269 N -2.22 6.64 -0.07 2.83 0.02 -0.78 -0.14 114.94 121.23 3hjs s ASN 269 Ca 0.53 0.76 0.03 0.00 -1.02 0.00 0.00 52.86 53.15 3hjs s ASN 269 Cb -0.11 -2.27 -0.02 0.00 0.02 0.00 0.00 41.25 38.86 3hjs s ASN 269 CO 0.18 -0.01 -0.14 -0.31 0.02 0.00 0.00 177.10 176.84 3hjs s TYR 270 N 0.73 2.74 -0.07 2.20 1.51 0.78 -0.53 117.35 124.71 3hjs s TYR 270 Ca 0.25 -0.24 -0.15 0.00 -1.01 0.00 0.00 57.07 55.92 3hjs s TYR 270 Cb -0.15 -1.68 0.03 0.00 -0.11 0.00 0.00 41.96 40.06 3hjs s TYR 270 CO 0.09 0.12 0.36 0.54 -1.11 0.00 0.00 175.55 175.55 3hjs s VAL 271 N -0.52 0.03 -0.13 0.71 0.11 -0.65 -1.38 120.40 118.58 3hjs s VAL 271 Ca 0.07 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 3hjs s VAL 271 Cb -0.12 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 34.14 3hjs s VAL 271 CO 0.02 -0.13 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.60 3hjs s THR 272 N -0.62 2.69 -0.07 5.04 2.01 -1.26 -0.78 115.64 122.66 3hjs s THR 272 Ca -0.07 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 3hjs s THR 272 Cb -0.04 -2.11 0.04 0.00 0.01 0.00 0.00 72.50 70.40 3hjs s THR 272 CO 0.03 0.53 0.13 -0.47 -0.69 0.00 0.00 174.62 174.15 3hjs s TYR 273 N 0.49 -0.13 0.13 4.92 6.14 0.89 -4.95 117.35 124.85 3hjs s TYR 273 Ca -0.11 0.49 -0.05 0.00 0.64 0.00 0.00 57.07 58.04 3hjs s TYR 273 Cb -0.16 -0.21 -0.06 0.00 0.42 0.00 0.00 41.96 41.95 3hjs s TYR 273 CO 0.05 -0.21 0.37 -0.80 0.64 0.00 0.00 175.55 175.60 3hjs s ASN 274 N 1.75 6.49 -0.12 4.32 0.02 -1.26 -4.11 114.94 122.03 3hjs s ASN 274 Ca -0.03 0.59 -0.03 0.00 -1.02 0.00 0.00 52.86 52.38 3hjs s ASN 274 Cb -0.12 -2.09 -0.03 0.00 0.02 0.00 0.00 41.25 39.03 3hjs s ASN 274 CO -0.05 0.07 -0.02 -0.36 0.02 0.00 0.00 177.10 176.75 3hjs s PHE 275 N -1.63 3.07 -0.23 2.20 0.40 -0.57 -4.94 117.98 116.29 3hjs s PHE 275 Ca 0.40 -0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.67 3hjs s PHE 275 Cb -0.12 -1.87 0.01 0.00 0.51 0.00 0.00 43.02 41.56 3hjs s PHE 275 CO 0.24 0.22 -0.08 0.08 0.70 0.00 0.00 175.22 176.38 3hjs s VAL 276 N -0.27 2.88 -0.11 -0.44 1.01 -1.26 0.14 120.40 122.35 3hjs s VAL 276 Ca 0.05 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 3hjs s VAL 276 Cb -0.12 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 3hjs s VAL 276 CO 0.02 0.34 0.09 -0.76 0.00 0.00 0.00 175.10 174.79 3hjs s LEU 277 N 1.37 4.10 0.66 3.92 1.43 0.05 -1.10 118.68 129.11 3hjs s LEU 277 Ca 0.03 0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 53.34 3hjs s LEU 277 Cb -0.15 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 3hjs s LEU 277 CO -0.06 0.39 1.07 -1.81 0.23 0.00 0.00 176.35 176.17 3hjs s ASP 278 N -0.91 5.37 0.44 2.29 1.01 -1.26 -3.66 116.67 119.95 3hjs s ASP 278 Ca 0.14 1.77 -0.22 0.00 0.71 0.00 0.00 52.55 54.95 3hjs s ASP 278 Cb -0.12 -2.52 -0.09 0.00 1.01 0.00 0.00 42.92 41.20 3hjs s ASP 278 CO 0.03 -1.45 1.04 -2.16 0.21 0.00 0.00 175.17 172.84 3hjs s PRO 279 N -4.53 3.99 0.00 8.23 0.04 -1.26 -1.94 135.00 139.54 3hjs s PRO 279 Ca 0.62 1.42 0.26 0.00 0.04 0.00 0.00 61.00 63.34 3hjs s PRO 279 Cb -0.16 -2.31 1.55 0.00 0.04 0.00 0.00 34.50 33.62 3hjs s PRO 279 CO 0.46 -0.27 1.91 0.00 0.04 0.00 0.00 177.00 179.14