#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hvu s PHE -4 N 0.00 2.06 -0.11 -3.48 5.36 -1.26 -4.97 117.98 115.59 3hvu s PHE -4 Ca 0.00 0.51 0.01 0.00 -0.96 0.00 0.00 56.93 56.50 3hvu s PHE -4 Cb 0.00 -3.98 0.02 0.00 -0.34 0.00 0.00 43.02 38.72 3hvu s PHE -4 CO 0.00 -3.05 -0.14 -0.65 -1.46 0.00 0.00 175.22 169.92 3hvu s GLN -3 N 4.68 2.09 0.43 10.12 -0.21 -1.26 -5.14 119.66 130.37 3hvu s GLN -3 Ca 0.72 -0.51 0.06 0.00 0.02 0.00 0.00 55.36 55.65 3hvu s GLN -3 Cb -0.26 -1.82 -0.07 0.00 1.00 0.00 0.00 33.01 31.87 3hvu s GLN -3 CO 0.29 -0.09 0.01 -1.54 -2.12 0.00 0.00 175.29 171.84 3hvu s SER -2 N 1.07 3.92 0.33 5.90 1.04 -1.26 -5.11 113.70 119.60 3hvu s SER -2 Ca -0.05 -1.43 -0.29 0.00 0.48 0.00 0.00 55.95 54.66 3hvu s SER -2 Cb -0.15 -0.20 -0.11 0.00 0.10 0.00 0.00 66.02 65.66 3hvu s SER -2 CO -0.03 -0.54 1.46 0.20 0.98 0.00 0.00 173.24 175.32 3hvu s ASN -1 N -3.74 6.48 0.18 7.02 -0.87 -1.26 -4.91 114.94 117.83 3hvu s ASN -1 Ca 0.29 2.90 -0.32 0.00 -1.57 0.00 0.00 52.86 54.17 3hvu s ASN -1 Cb 0.08 -2.65 -0.10 0.00 -0.02 0.00 0.00 41.25 38.56 3hvu s ASN -1 CO 0.15 -0.78 1.58 0.00 -2.57 0.00 0.00 177.10 175.48 3hvu s ALA 0 N -0.77 3.79 0.02 0.60 0.00 -1.26 -5.01 121.76 119.13 3hvu s ALA 0 Ca 0.55 1.40 0.08 0.00 0.00 0.00 0.00 51.96 53.99 3hvu s ALA 0 Cb -0.45 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.02 3hvu s ALA 0 CO 0.55 -0.80 -0.25 -1.64 0.00 0.00 0.00 175.76 173.62 3hvu s MET 1 N 1.04 1.86 0.34 0.00 -1.94 -1.26 -5.04 119.30 114.31 3hvu s MET 1 Ca 0.70 -1.00 0.05 0.00 -1.71 0.00 0.00 55.69 53.73 3hvu s MET 1 Cb -0.44 -1.93 0.70 0.00 2.01 0.00 0.00 34.83 35.17 3hvu s MET 1 CO 0.32 0.51 1.92 0.52 -0.01 0.00 0.00 175.02 178.28 3hvu h MET 2 N 5.11 0.79 -0.29 2.03 2.86 -2.02 -2.21 114.93 121.19 3hvu h MET 2 Ca -0.44 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.23 3hvu h MET 2 Cb 1.14 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 3hvu h MET 2 CO 0.45 0.52 0.28 -2.95 1.06 0.00 0.00 176.91 176.27 3hvu h ASN 3 N 0.81 0.00 0.59 1.22 7.08 -1.96 0.29 115.58 123.61 3hvu h ASN 3 Ca 0.37 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.57 3hvu h ASN 3 Cb 0.38 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.61 3hvu h ASN 3 CO -0.15 0.00 -0.10 1.56 -2.08 0.00 0.00 177.43 176.67 3hvu h GLN 4 N 0.00 0.00 -0.01 4.14 4.20 -1.83 -2.22 115.11 119.39 3hvu h GLN 4 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3hvu h GLN 4 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3hvu h GLN 4 CO -0.00 0.10 -0.15 -0.25 -0.67 0.00 0.00 178.83 177.85 3hvu n ASP 5 N -3.38 1.46 -4.59 1.46 8.00 0.09 -4.89 116.55 114.69 3hvu n ASP 5 Ca -0.01 -1.28 -0.38 0.00 0.71 0.00 0.00 54.79 53.84 3hvu n ASP 5 Cb 0.27 0.10 -0.11 0.00 -0.02 0.00 0.00 41.12 41.36 3hvu n ASP 5 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hvu s ILE 6 N -2.26 5.31 0.05 0.53 -1.09 -0.84 -1.52 121.20 121.38 3hvu s ILE 6 Ca 0.29 0.17 -0.23 0.00 -2.23 0.00 0.00 60.65 58.65 3hvu s ILE 6 Cb 0.20 -3.53 -0.15 0.00 -1.58 0.00 0.00 42.46 37.39 3hvu s ILE 6 CO 0.43 0.25 1.52 -0.08 -1.23 0.00 0.00 174.94 175.83 3hvu h GLU 7 N 8.35 0.09 -2.55 2.79 4.57 -0.69 -3.46 114.58 123.69 3hvu h GLU 7 Ca -0.35 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 57.88 3hvu h GLU 7 Cb 1.19 -0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 29.64 3hvu h GLU 7 CO 0.55 0.30 0.39 -1.59 -1.18 0.00 0.00 179.01 177.49 3hvu s LYS 8 N -5.23 1.04 -0.32 1.92 -2.85 -1.20 -5.00 119.74 108.10 3hvu s LYS 8 Ca -0.14 -0.42 -0.22 0.00 -1.00 0.00 0.00 55.97 54.19 3hvu s LYS 8 Cb 0.05 0.46 -0.00 0.00 -2.06 0.00 0.00 37.83 36.28 3hvu s LYS 8 CO 0.68 -0.46 0.72 0.08 0.10 0.00 0.00 175.35 176.48 3hvu s VAL 9 N -3.37 4.83 -0.06 1.79 1.01 -1.26 -0.01 120.40 123.33 3hvu s VAL 9 Ca 0.05 0.96 -0.15 0.00 0.00 0.00 0.00 61.98 62.84 3hvu s VAL 9 Cb -0.01 -4.11 -0.30 0.00 0.00 0.00 0.00 36.38 31.96 3hvu s VAL 9 CO -0.09 -0.26 0.70 0.25 0.00 0.00 0.00 175.10 175.70 3hvu h LEU 10 N 9.41 0.53 -7.32 3.92 5.85 -1.05 -3.45 115.31 123.20 3hvu h LEU 10 Ca -0.25 -0.91 -0.43 0.00 0.84 0.00 0.00 57.88 57.13 3hvu h LEU 10 Cb 1.10 -0.17 -0.39 0.00 0.37 0.00 0.00 40.66 41.57 3hvu h LEU 10 CO 0.86 1.65 -0.76 -0.63 -0.34 0.00 0.00 178.44 179.23 3hvu s ILE 11 N -2.52 0.17 0.79 4.05 1.01 -0.68 -5.02 121.20 119.00 3hvu s ILE 11 Ca -0.16 0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.44 3hvu s ILE 11 Cb 0.04 -0.50 0.06 0.00 0.01 0.00 0.00 42.46 42.08 3hvu s ILE 11 CO 0.83 0.07 1.11 -0.94 0.00 0.00 0.00 174.94 176.01 3hvu s SER 12 N 2.04 4.62 0.27 3.58 1.04 -1.26 -1.23 113.70 122.76 3hvu s SER 12 Ca 0.04 1.18 -0.04 0.00 0.48 0.00 0.00 55.95 57.60 3hvu s SER 12 Cb -0.14 -1.89 0.34 0.00 0.10 0.00 0.00 66.02 64.44 3hvu s SER 12 CO -0.06 -1.87 1.94 -0.08 0.98 0.00 0.00 173.24 174.15 3hvu h GLU 13 N -1.02 1.20 -0.43 4.02 4.81 -1.96 0.28 114.58 121.48 3hvu h GLU 13 Ca -0.47 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 3hvu h GLU 13 Cb 1.28 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3hvu h GLU 13 CO 0.61 0.81 0.22 1.49 -0.73 0.00 0.00 179.01 181.41 3hvu h GLU 14 N 1.23 0.61 -0.53 1.92 4.81 -1.92 -0.49 114.58 120.21 3hvu h GLU 14 Ca 0.33 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 3hvu h GLU 14 Cb -0.12 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 3hvu h GLU 14 CO -0.07 0.51 0.23 1.96 -0.73 0.00 0.00 179.01 180.91 3hvu h GLN 15 N 0.56 0.78 -0.13 1.92 4.20 -1.75 -1.02 115.11 119.68 3hvu h GLN 15 Ca 0.15 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.74 3hvu h GLN 15 Cb 0.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3hvu h GLN 15 CO -0.02 0.67 0.06 0.82 -0.67 0.00 0.00 178.83 179.69 3hvu h ILE 16 N 0.72 0.99 -0.52 2.54 2.04 -0.71 -1.52 117.51 121.05 3hvu h ILE 16 Ca 0.18 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.92 3hvu h ILE 16 Cb 0.16 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3hvu h ILE 16 CO -0.02 0.02 0.01 1.56 0.00 0.00 0.00 178.15 179.72 3hvu h GLN 17 N 0.13 0.88 -0.85 2.37 1.08 -0.84 0.26 115.11 118.14 3hvu h GLN 17 Ca 0.05 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 56.99 3hvu h GLN 17 Cb 0.01 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 3hvu h GLN 17 CO -0.04 0.87 0.46 1.49 -0.95 0.00 0.00 178.83 180.66 3hvu h GLU 18 N 0.81 1.18 -0.13 1.46 4.81 -1.00 -1.68 114.58 120.03 3hvu h GLU 18 Ca 0.16 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 3hvu h GLU 18 Cb 0.48 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3hvu h GLU 18 CO 0.02 0.87 -0.35 -0.22 -0.73 0.00 0.00 179.01 178.60 3hvu h LYS 19 N 1.18 0.46 -0.96 1.92 1.63 -0.76 -2.66 116.57 117.38 3hvu h LYS 19 Ca 0.30 -0.33 0.07 0.00 -0.85 0.00 0.00 60.65 59.84 3hvu h LYS 19 Cb 0.03 0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 31.65 3hvu h LYS 19 CO -0.05 0.95 0.61 0.28 -3.45 0.00 0.00 179.45 177.79 3hvu h VAL 20 N 0.06 1.07 -0.91 2.00 2.07 -0.86 0.14 116.25 119.82 3hvu h VAL 20 Ca -0.01 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3hvu h VAL 20 Cb 0.97 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3hvu h VAL 20 CO 0.08 0.20 0.52 0.25 0.02 0.00 0.00 177.57 178.64 3hvu h LEU 21 N 1.11 1.12 -0.01 2.57 5.85 -1.21 0.40 115.31 125.14 3hvu h LEU 21 Ca 0.42 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 3hvu h LEU 21 Cb 0.17 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 3hvu h LEU 21 CO -0.18 0.88 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.72 3hvu h GLU 22 N 1.27 0.01 -0.71 1.25 4.81 -0.89 -2.74 114.58 117.58 3hvu h GLU 22 Ca 0.32 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.48 3hvu h GLU 22 Cb -0.01 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3hvu h GLU 22 CO -0.06 0.44 0.17 -0.07 -0.73 0.00 0.00 179.01 178.77 3hvu h LEU 23 N -0.42 1.09 -0.96 1.64 3.38 -0.62 -2.18 115.31 117.23 3hvu h LEU 23 Ca 0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3hvu h LEU 23 Cb 0.44 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3hvu h LEU 23 CO 0.00 1.04 0.52 1.23 0.09 0.00 0.00 178.44 181.32 3hvu h GLY 24 N 1.08 1.33 1.17 0.83 0.00 -0.98 -0.30 103.07 106.21 3hvu h GLY 24 Ca 0.22 -0.58 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 3hvu h GLY 24 CO 0.00 0.56 -0.30 0.00 0.00 0.00 0.00 176.54 176.80 3hvu h ALA 25 N 1.32 0.67 -0.17 3.60 0.00 -1.24 -1.18 119.26 122.26 3hvu h ALA 25 Ca 0.32 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3hvu h ALA 25 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hvu h ALA 25 CO -0.06 0.67 0.01 0.82 0.00 0.00 0.00 179.25 180.70 3hvu h ILE 26 N 0.78 1.24 -0.63 0.00 2.04 -1.10 -2.58 117.51 117.26 3hvu h ILE 26 Ca 0.08 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 3hvu h ILE 26 Cb 0.87 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 3hvu h ILE 26 CO 0.08 0.23 0.24 0.40 0.00 0.00 0.00 178.15 179.11 3hvu h ILE 27 N 0.05 1.24 -0.85 -0.67 2.04 -1.03 -0.54 117.51 117.74 3hvu h ILE 27 Ca 0.05 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.19 3hvu h ILE 27 Cb 0.34 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 3hvu h ILE 27 CO 0.01 0.29 0.55 0.00 0.00 0.00 0.00 178.15 179.00 3hvu h ALA 28 N 1.10 1.13 -0.33 1.87 0.00 -1.19 -0.27 119.26 121.56 3hvu h ALA 28 Ca 0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3hvu h ALA 28 Cb 0.22 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hvu h ALA 28 CO -0.02 0.39 0.06 1.49 0.00 0.00 0.00 179.25 181.17 3hvu h GLU 29 N 1.07 0.54 0.00 0.00 4.57 -1.05 -1.85 114.58 117.85 3hvu h GLU 29 Ca 0.34 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.33 3hvu h GLU 29 Cb 0.01 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3hvu h GLU 29 CO -0.12 0.62 -0.22 -0.44 -1.18 0.00 0.00 179.01 177.67 3hvu h ASP 30 N 0.37 0.00 -0.25 1.04 3.32 -0.47 -2.95 116.42 117.48 3hvu h ASP 30 Ca 0.10 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 3hvu h ASP 30 Cb 0.34 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 3hvu h ASP 30 CO 0.01 0.22 -0.06 -1.22 -1.72 0.00 0.00 179.24 176.47 3hvu n TYR 31 N -3.86 0.82 -0.32 4.55 4.01 -0.17 -4.84 117.16 117.35 3hvu n TYR 31 Ca -0.02 -1.23 0.07 0.00 -0.16 0.00 0.00 57.90 56.56 3hvu n TYR 31 Cb 0.31 -0.36 0.17 0.00 -0.31 0.00 0.00 39.34 39.15 3hvu n TYR 31 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3hvu h LYS 32 N 1.16 0.02 0.00 -0.72 1.57 -1.15 -3.10 116.57 114.34 3hvu h LYS 32 Ca 0.09 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3hvu h LYS 32 Cb 1.45 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 3hvu h LYS 32 CO 0.25 0.01 -1.37 0.09 -0.57 0.00 0.00 179.45 177.87 3hvu n ASN 33 N -5.52 0.66 -4.67 0.86 5.03 -1.26 -4.91 115.26 105.45 3hvu n ASN 33 Ca 0.16 0.27 -0.24 0.00 0.87 0.00 0.00 54.58 55.65 3hvu n ASN 33 Cb 0.54 0.66 -0.07 0.00 -1.02 0.00 0.00 39.78 39.89 3hvu n ASN 33 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 3hvu s THR 34 N -3.22 2.90 -0.46 3.41 -1.32 -1.17 -5.09 115.64 110.68 3hvu s THR 34 Ca -0.03 -1.85 -0.09 0.00 -1.21 0.00 0.00 61.69 58.51 3hvu s THR 34 Cb 0.10 -2.88 0.11 0.00 -1.51 0.00 0.00 72.50 68.33 3hvu s THR 34 CO 0.82 -0.22 0.32 0.68 -2.21 0.00 0.00 174.62 174.02 3hvu s VAL 35 N -2.45 4.18 0.66 5.08 -7.23 -1.26 -4.77 120.40 114.59 3hvu s VAL 35 Ca 0.35 -1.73 -0.11 0.00 -1.81 0.00 0.00 61.98 58.68 3hvu s VAL 35 Cb -0.02 -3.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.18 3hvu s VAL 35 CO 0.21 -0.72 1.05 -2.16 -0.31 0.00 0.00 175.10 173.17 3hvu s PRO 36 N 1.36 3.29 -0.45 4.82 0.04 -1.26 -4.74 135.00 138.06 3hvu s PRO 36 Ca 0.05 0.69 -0.15 0.00 0.04 0.00 0.00 61.00 61.63 3hvu s PRO 36 Cb -0.26 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.30 3hvu s PRO 36 CO -0.00 -0.78 0.36 -1.17 0.04 0.00 0.00 177.00 175.44 3hvu s LEU 37 N -5.28 5.46 -0.32 -3.56 2.96 0.25 -1.35 118.68 116.84 3hvu s LEU 37 Ca 0.56 -1.25 -0.22 0.00 -0.22 0.00 0.00 54.13 53.01 3hvu s LEU 37 Cb -0.11 -2.16 -0.00 0.00 0.50 0.00 0.00 46.19 44.42 3hvu s LEU 37 CO 0.54 -0.59 0.70 0.00 -1.32 0.00 0.00 176.35 175.68 3hvu s ALA 38 N 1.63 3.51 0.05 5.97 0.00 0.30 -0.82 121.76 132.40 3hvu s ALA 38 Ca 0.04 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.50 3hvu s ALA 38 Cb -0.23 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3hvu s ALA 38 CO 0.07 -1.19 -0.26 0.96 0.00 0.00 0.00 175.76 175.33 3hvu s ILE 39 N 2.80 2.13 -0.04 0.00 -4.36 0.63 -1.10 121.20 121.25 3hvu s ILE 39 Ca 0.28 -1.41 0.06 0.00 -0.26 0.00 0.00 60.65 59.32 3hvu s ILE 39 Cb -0.14 -1.82 -0.01 0.00 1.25 0.00 0.00 42.46 41.73 3hvu s ILE 39 CO 0.13 0.34 -0.22 -0.83 0.24 0.00 0.00 174.94 174.60 3hvu s GLY 40 N -1.29 1.11 -0.28 6.27 0.00 -0.83 -0.90 107.32 111.39 3hvu s GLY 40 Ca 0.12 -0.91 -0.17 0.00 0.00 0.00 0.00 44.72 43.76 3hvu s GLY 40 CO 0.02 -0.63 0.46 0.14 0.00 0.00 0.00 173.10 173.09 3hvu s VAL 41 N -0.26 5.10 0.62 1.40 1.01 -1.26 -1.55 120.40 125.46 3hvu s VAL 41 Ca 0.01 0.63 -0.18 0.00 0.00 0.00 0.00 61.98 62.44 3hvu s VAL 41 Cb -0.11 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3hvu s VAL 41 CO 0.01 0.05 1.24 -0.76 0.00 0.00 0.00 175.10 175.64 3hvu s LEU 42 N 2.23 3.62 -0.08 3.92 1.43 -0.40 -3.54 118.68 125.86 3hvu s LEU 42 Ca 0.18 2.48 0.17 0.00 -1.03 0.00 0.00 54.13 55.93 3hvu s LEU 42 Cb -0.16 -4.61 -0.25 0.00 0.03 0.00 0.00 46.19 41.20 3hvu s LEU 42 CO 0.10 -1.77 0.27 0.29 0.23 0.00 0.00 176.35 175.47 3hvu n LYS 43 N -1.75 0.81 -0.14 1.70 5.02 -1.26 -4.74 118.16 117.81 3hvu n LYS 43 Ca 0.14 -0.11 0.16 0.00 -2.02 0.00 0.00 58.31 56.49 3hvu n LYS 43 Cb 0.49 -1.43 0.53 0.00 -0.02 0.00 0.00 35.03 34.60 3hvu n LYS 43 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3hvu h GLY 44 N 3.32 0.59 2.00 0.72 0.00 -1.73 -2.92 103.07 105.05 3hvu h GLY 44 Ca -0.17 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3hvu h GLY 44 CO 0.01 0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.60 3hvu h ALA 45 N 1.66 1.00 0.43 3.60 0.00 -1.86 -3.39 119.26 120.69 3hvu h ALA 45 Ca 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3hvu h ALA 45 Cb 0.88 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3hvu h ALA 45 CO -0.10 0.00 -0.51 1.98 0.00 0.00 0.00 179.25 180.62 3hvu h MET 46 N 0.00 -0.92 -0.62 0.00 -1.53 -1.81 0.17 114.93 110.22 3hvu h MET 46 Ca 0.00 0.06 0.11 0.00 -3.44 0.00 0.00 59.70 56.44 3hvu h MET 46 Cb 0.58 0.21 -0.08 0.00 -0.55 0.00 0.00 31.60 31.75 3hvu h MET 46 CO 0.00 -0.62 0.16 -1.35 0.14 0.00 0.00 176.91 175.25 3hvu h PRO 47 N -0.96 0.29 -0.18 0.39 0.11 -1.84 0.94 132.00 130.75 3hvu h PRO 47 Ca -0.05 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 3hvu h PRO 47 Cb 0.85 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 3hvu h PRO 47 CO -0.11 0.19 0.04 0.35 -0.21 0.00 0.00 178.00 178.27 3hvu h PHE 48 N 0.30 0.30 -0.98 0.65 3.57 -1.77 -2.43 116.94 116.58 3hvu h PHE 48 Ca 0.32 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.83 3hvu h PHE 48 Cb 0.47 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 3hvu h PHE 48 CO -0.23 0.41 0.64 1.98 -2.23 0.00 0.00 178.31 178.88 3hvu h MET 49 N 0.10 1.19 0.26 1.11 4.05 0.35 0.61 114.93 122.59 3hvu h MET 49 Ca 0.06 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 3hvu h MET 49 Cb 0.26 -0.27 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 3hvu h MET 49 CO 0.00 0.79 -0.14 0.00 0.23 0.00 0.00 176.91 177.79 3hvu h ALA 50 N 1.40 -0.36 -0.42 0.39 0.00 -0.77 -1.05 119.26 118.46 3hvu h ALA 50 Ca 0.39 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3hvu h ALA 50 Cb 0.02 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hvu h ALA 50 CO -0.13 -0.71 0.03 -0.44 0.00 0.00 0.00 179.25 178.00 3hvu h ASP 51 N -0.37 0.70 0.17 0.00 3.32 -1.10 -2.98 116.42 116.15 3hvu h ASP 51 Ca -0.03 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 3hvu h ASP 51 Cb 0.29 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3hvu h ASP 51 CO 0.05 0.81 -0.08 0.25 -1.72 0.00 0.00 179.24 178.55 3hvu h LEU 52 N 0.56 -0.19 -1.70 1.55 5.85 -0.86 -3.06 115.31 117.46 3hvu h LEU 52 Ca 0.12 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3hvu h LEU 52 Cb 0.44 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3hvu h LEU 52 CO 0.02 -0.02 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.87 3hvu h LEU 53 N -0.36 0.00 -0.01 2.25 3.38 -1.26 -1.41 115.31 117.90 3hvu h LEU 53 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hvu h LEU 53 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hvu h LEU 53 CO 0.04 0.16 0.00 2.29 0.09 0.00 0.00 178.44 181.02 3hvu n LYS 54 N -4.31 0.02 -0.37 1.13 2.85 -1.13 -1.69 118.16 114.67 3hvu n LYS 54 Ca -0.02 0.07 0.09 0.00 -1.05 0.00 0.00 58.31 57.40 3hvu n LYS 54 Cb 0.23 -1.52 0.28 0.00 -0.65 0.00 0.00 35.03 33.36 3hvu n LYS 54 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hvu n ARG 55 N -1.56 2.99 -3.79 -1.58 5.12 -0.56 -4.76 116.66 112.52 3hvu n ARG 55 Ca 0.06 -2.55 -0.36 0.00 -1.93 0.00 0.00 57.85 53.08 3hvu n ARG 55 Cb 0.31 -1.56 -0.12 0.00 -1.16 0.00 0.00 32.46 29.93 3hvu n ARG 55 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3hvu s THR 56 N -1.25 3.27 -1.37 0.55 2.01 -0.68 -3.69 115.64 114.48 3hvu s THR 56 Ca 0.42 -2.28 -0.12 0.00 0.31 0.00 0.00 61.69 60.02 3hvu s THR 56 Cb 0.24 -3.23 0.10 0.00 0.01 0.00 0.00 72.50 69.61 3hvu s THR 56 CO 0.26 -0.72 2.04 -0.67 -0.69 0.00 0.00 174.62 174.83 3hvu n ASP 57 N 4.33 4.47 -3.57 3.53 2.03 -1.26 -4.86 116.55 121.21 3hvu n ASP 57 Ca 0.00 -2.96 -0.13 0.00 0.52 0.00 0.00 54.79 52.22 3hvu n ASP 57 Cb 0.40 -1.58 -0.05 0.00 -0.72 0.00 0.00 41.12 39.17 3hvu n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3hvu s THR 58 N 2.00 0.04 0.13 5.18 -1.32 -1.26 -4.94 115.64 115.47 3hvu s THR 58 Ca 0.44 -0.31 -0.31 0.00 -1.21 0.00 0.00 61.69 60.30 3hvu s THR 58 Cb 0.11 -1.03 -0.09 0.00 -1.51 0.00 0.00 72.50 69.98 3hvu s THR 58 CO -0.04 -0.17 1.49 -0.31 -2.21 0.00 0.00 174.62 173.38 3hvu s TYR 59 N -3.04 3.11 0.19 9.09 2.02 -1.26 -4.99 117.35 122.47 3hvu s TYR 59 Ca -0.02 0.76 -0.21 0.00 -0.37 0.00 0.00 57.07 57.23 3hvu s TYR 59 Cb -0.00 -3.81 0.05 0.00 -0.40 0.00 0.00 41.96 37.79 3hvu s TYR 59 CO -0.06 -2.96 0.59 -0.48 -1.57 0.00 0.00 175.55 171.07 3hvu s LEU 60 N 1.22 -0.26 0.02 -1.29 0.05 -1.26 -4.14 118.68 113.02 3hvu s LEU 60 Ca 0.68 -0.28 0.07 0.00 0.05 0.00 0.00 54.13 54.64 3hvu s LEU 60 Cb -0.40 2.45 -0.03 0.00 -2.05 0.00 0.00 46.19 46.16 3hvu s LEU 60 CO 0.31 -1.07 -0.18 -0.70 -0.55 0.00 0.00 176.35 174.16 3hvu s GLU 61 N -3.82 2.14 0.08 1.48 2.12 -0.46 -4.97 118.70 115.27 3hvu s GLU 61 Ca 0.05 -0.93 0.06 0.00 0.36 0.00 0.00 54.97 54.51 3hvu s GLU 61 Cb -0.02 -2.20 -0.04 0.00 0.26 0.00 0.00 34.13 32.13 3hvu s GLU 61 CO -0.06 0.56 -0.07 -1.64 -0.54 0.00 0.00 175.26 173.51 3hvu s MET 62 N -1.24 2.32 0.26 4.30 -1.94 -1.26 -0.54 119.30 121.21 3hvu s MET 62 Ca 0.14 -0.91 -0.16 0.00 -1.71 0.00 0.00 55.69 53.04 3hvu s MET 62 Cb -0.10 -2.41 0.01 0.00 2.01 0.00 0.00 34.83 34.34 3hvu s MET 62 CO 0.04 0.54 0.58 0.34 -0.01 0.00 0.00 175.02 176.50 3hvu s ASP 63 N -2.08 -0.14 0.03 3.03 -1.08 -0.26 -4.91 116.67 111.26 3hvu s ASP 63 Ca 0.22 -0.82 -0.05 0.00 -0.52 0.00 0.00 52.55 51.37 3hvu s ASP 63 Cb -0.11 0.65 -0.01 0.00 -1.46 0.00 0.00 42.92 41.99 3hvu s ASP 63 CO 0.14 -1.24 0.09 -0.36 0.52 0.00 0.00 175.17 174.32 3hvu s PHE 64 N -3.92 0.18 0.16 -5.34 0.08 -1.26 -1.97 117.98 105.91 3hvu s PHE 64 Ca 0.18 -0.44 0.08 0.00 0.12 0.00 0.00 56.93 56.87 3hvu s PHE 64 Cb -0.03 -0.13 -0.04 0.00 -0.57 0.00 0.00 43.02 42.25 3hvu s PHE 64 CO 0.09 -0.33 -0.17 -1.64 -0.10 0.00 0.00 175.22 173.07 3hvu s MET 65 N -2.28 1.23 -0.04 0.44 -1.94 -0.60 -4.34 119.30 111.77 3hvu s MET 65 Ca -0.08 -1.41 0.02 0.00 -1.71 0.00 0.00 55.69 52.52 3hvu s MET 65 Cb -0.03 -1.19 0.01 0.00 2.01 0.00 0.00 34.83 35.63 3hvu s MET 65 CO -0.03 0.23 -0.09 0.00 -0.01 0.00 0.00 175.02 175.12 3hvu s ALA 66 N -2.26 0.94 0.15 3.03 0.00 -0.68 -1.28 121.76 121.66 3hvu s ALA 66 Ca 0.16 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.85 3hvu s ALA 66 Cb -0.04 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 3hvu s ALA 66 CO 0.06 0.10 -0.00 0.14 0.00 0.00 0.00 175.76 176.05 3hvu s VAL 67 N 0.52 0.58 0.04 0.00 -7.23 -1.26 -0.01 120.40 113.04 3hvu s VAL 67 Ca -0.09 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.10 3hvu s VAL 67 Cb -0.12 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 3hvu s VAL 67 CO 0.01 -0.54 0.02 -0.94 -0.31 0.00 0.00 175.10 173.34 3hvu s SER 68 N -3.13 0.30 0.43 4.85 1.04 -0.21 -4.87 113.70 112.11 3hvu s SER 68 Ca 0.22 -0.70 -0.23 0.00 0.48 0.00 0.00 55.95 55.72 3hvu s SER 68 Cb 0.06 0.19 -0.08 0.00 0.10 0.00 0.00 66.02 66.29 3hvu s SER 68 CO 0.02 -0.49 1.08 -0.55 0.98 0.00 0.00 173.24 174.27 3hvu s SER 69 N -2.26 6.54 0.00 7.02 0.15 -1.26 -0.49 113.70 123.39 3hvu s SER 69 Ca -0.03 2.08 0.27 0.00 0.70 0.00 0.00 55.95 58.98 3hvu s SER 69 Cb 0.00 -2.59 0.94 0.00 -1.71 0.00 0.00 66.02 62.67 3hvu s SER 69 CO -0.06 -0.65 1.68 -1.22 1.20 0.00 0.00 173.24 174.20 3hvu n TYR 70 N -0.33 0.00 0.00 3.44 4.01 -1.26 -4.80 117.16 118.22 3hvu n TYR 70 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 3hvu n TYR 70 Cb 0.50 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 3hvu n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hvu n GLY 71 N 1.21 0.50 0.22 2.72 0.00 -1.26 -4.54 105.19 104.04 3hvu n GLY 71 Ca 0.18 -1.56 0.09 0.00 0.00 0.00 0.00 46.02 44.73 3hvu n GLY 71 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3hvu h HIS 72 N 0.00 0.00 0.00 1.61 -0.00 -1.97 -2.81 115.15 111.98 3hvu h HIS 72 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3hvu h HIS 72 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3hvu h HIS 72 CO 0.00 0.24 0.00 -1.13 -0.00 0.00 0.00 177.93 177.04 3hvu n SER 73 N -3.37 0.52 -0.23 3.26 3.41 -1.26 -1.13 113.62 114.81 3hvu n SER 73 Ca 0.00 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3hvu n SER 73 Cb 0.46 -0.74 0.60 0.00 -0.26 0.00 0.00 64.21 64.27 3hvu n SER 73 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hvu n THR 74 N -2.08 0.05 -2.41 6.66 -1.04 -1.06 -3.90 114.28 110.50 3hvu n THR 74 Ca 0.02 -0.14 -0.28 0.00 -2.04 0.00 0.00 64.05 61.61 3hvu n THR 74 Cb 0.20 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 3hvu n THR 74 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3hvu n VAL 75 N -0.38 2.49 0.07 12.58 0.31 -0.29 -3.86 118.33 129.26 3hvu n VAL 75 Ca 0.18 -4.85 0.00 0.00 -0.01 0.00 0.00 64.34 59.66 3hvu n VAL 75 Cb 0.20 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 3hvu n VAL 75 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hvu n SER 76 N -0.49 -0.94 -0.00 4.52 3.41 -1.25 -4.94 113.62 113.92 3hvu n SER 76 Ca 0.41 0.27 0.08 0.00 -0.26 0.00 0.00 58.87 59.36 3hvu n SER 76 Cb 0.63 1.09 -0.09 0.00 -0.26 0.00 0.00 64.21 65.57 3hvu n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hvu n THR 77 N -2.86 0.00 -0.69 6.66 -2.24 -1.26 -4.98 114.28 108.92 3hvu n THR 77 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3hvu n THR 77 Cb 0.00 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 3hvu n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hvu n GLY 78 N 1.40 0.73 3.67 3.38 0.00 -1.25 -4.45 105.19 108.68 3hvu n GLY 78 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 3hvu n GLY 78 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hvu n GLU 79 N -2.41 2.19 -4.35 1.61 2.13 -1.26 -4.38 120.64 114.17 3hvu n GLU 79 Ca 0.00 0.79 -0.19 0.00 0.66 0.00 0.00 57.16 58.43 3hvu n GLU 79 Cb 0.00 -2.58 -0.10 0.00 0.27 0.00 0.00 31.44 29.03 3hvu n GLU 79 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3hvu s VAL 80 N 1.44 1.74 -0.13 6.31 -7.23 -1.26 -4.17 120.40 117.09 3hvu s VAL 80 Ca 0.81 -2.21 -0.25 0.00 -1.81 0.00 0.00 61.98 58.51 3hvu s VAL 80 Cb -0.67 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 3hvu s VAL 80 CO 0.40 -0.58 0.83 -0.75 -0.31 0.00 0.00 175.10 174.68 3hvu s LYS 81 N -3.65 4.35 -0.26 4.82 2.20 0.36 -4.91 119.74 122.66 3hvu s LYS 81 Ca 0.23 1.04 -0.26 0.00 -0.36 0.00 0.00 55.97 56.61 3hvu s LYS 81 Cb -0.01 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 3hvu s LYS 81 CO 0.07 -0.23 0.92 0.42 -0.36 0.00 0.00 175.35 176.18 3hvu s ILE 82 N 1.79 4.74 -0.19 5.43 1.01 -1.26 -1.04 121.20 131.67 3hvu s ILE 82 Ca 0.40 1.70 0.02 0.00 0.00 0.00 0.00 60.65 62.77 3hvu s ILE 82 Cb -0.17 -4.22 -0.21 0.00 0.01 0.00 0.00 42.46 37.86 3hvu s ILE 82 CO 0.15 -0.18 0.06 0.18 0.00 0.00 0.00 174.94 175.15 3hvu n LEU 83 N 6.24 2.31 -3.72 2.97 4.77 0.99 -4.86 117.00 125.70 3hvu n LEU 83 Ca 0.08 0.03 -0.22 0.00 -0.03 0.00 0.00 56.01 55.87 3hvu n LEU 83 Cb 0.47 -0.70 -0.18 0.00 -2.33 0.00 0.00 43.42 40.68 3hvu n LEU 83 CO 0.51 0.81 -0.36 -0.75 -1.33 0.00 0.00 177.39 176.27 3hvu s LYS 84 N -2.53 0.31 0.62 3.23 2.20 -0.37 -4.91 119.74 118.29 3hvu s LYS 84 Ca -0.25 0.19 -0.02 0.00 -0.36 0.00 0.00 55.97 55.53 3hvu s LYS 84 Cb 0.08 -0.87 0.06 0.00 -1.51 0.00 0.00 37.83 35.58 3hvu s LYS 84 CO 0.70 -0.34 0.88 0.34 -0.36 0.00 0.00 175.35 176.56 3hvu s ASP 85 N 2.05 5.00 0.55 1.43 -1.08 -1.26 -1.69 116.67 121.67 3hvu s ASP 85 Ca 0.05 0.08 -0.22 0.00 -0.52 0.00 0.00 52.55 51.94 3hvu s ASP 85 Cb -0.13 -0.82 -0.05 0.00 -1.46 0.00 0.00 42.92 40.46 3hvu s ASP 85 CO -0.05 -1.39 1.34 -0.76 0.52 0.00 0.00 175.17 174.84 3hvu s LEU 86 N -4.97 3.85 0.19 -1.34 1.43 -1.26 -4.81 118.68 111.76 3hvu s LEU 86 Ca 0.59 2.72 0.26 0.00 -1.03 0.00 0.00 54.13 56.68 3hvu s LEU 86 Cb -0.10 -4.29 0.89 0.00 0.03 0.00 0.00 46.19 42.72 3hvu s LEU 86 CO 0.41 -1.55 1.78 0.47 0.23 0.00 0.00 176.35 177.69 3hvu n ASP 87 N -1.04 0.67 -4.26 2.29 8.00 -1.26 -4.83 116.55 116.12 3hvu n ASP 87 Ca 0.10 0.58 -0.14 0.00 0.71 0.00 0.00 54.79 56.04 3hvu n ASP 87 Cb 0.45 -0.75 -0.10 0.00 -0.02 0.00 0.00 41.12 40.70 3hvu n ASP 87 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3hvu s THR 88 N -3.12 0.99 0.55 -3.53 -1.32 -1.26 -5.14 115.64 102.79 3hvu s THR 88 Ca 0.10 -2.02 -0.19 0.00 -1.21 0.00 0.00 61.69 58.37 3hvu s THR 88 Cb 0.12 -2.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.06 3hvu s THR 88 CO 0.54 -0.61 1.09 -0.94 -2.21 0.00 0.00 174.62 172.50 3hvu s SER 89 N -3.19 5.83 0.02 8.08 1.04 -1.26 -4.97 113.70 119.25 3hvu s SER 89 Ca 0.20 2.05 0.03 0.00 0.48 0.00 0.00 55.95 58.72 3hvu s SER 89 Cb 0.04 -2.57 -0.25 0.00 0.10 0.00 0.00 66.02 63.35 3hvu s SER 89 CO 0.03 -1.14 0.90 0.58 0.98 0.00 0.00 173.24 174.59 3hvu h VAL 90 N 1.09 1.21 -1.51 5.02 2.07 -1.96 -3.46 116.25 118.71 3hvu h VAL 90 Ca -0.49 -2.92 -0.73 0.00 0.82 0.00 0.00 66.70 63.37 3hvu h VAL 90 Cb 1.24 2.69 0.03 0.00 -1.52 0.00 0.00 31.29 33.73 3hvu h VAL 90 CO 0.57 0.78 0.68 1.21 0.02 0.00 0.00 177.57 180.83 3hvu n GLU 91 N -3.33 0.98 -0.90 1.57 2.13 -1.06 -0.62 120.64 119.41 3hvu n GLU 91 Ca -0.13 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.05 3hvu n GLU 91 Cb 1.02 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.73 3hvu n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hvu n GLY 92 N 3.44 0.79 3.88 8.31 0.00 0.07 -4.92 105.19 116.77 3hvu n GLY 92 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 3hvu n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hvu s ARG 93 N -0.21 3.71 -0.33 1.61 1.81 0.21 -4.29 118.95 121.46 3hvu s ARG 93 Ca 0.00 0.08 -0.24 0.00 -1.72 0.00 0.00 55.73 53.85 3hvu s ARG 93 Cb 0.00 -2.82 0.01 0.00 -0.45 0.00 0.00 34.95 31.69 3hvu s ARG 93 CO 0.00 0.44 0.82 -0.51 -0.68 0.00 0.00 175.30 175.36 3hvu s ASP 94 N -2.28 6.64 -0.18 0.23 1.01 -1.26 0.26 116.67 121.10 3hvu s ASP 94 Ca 0.41 0.58 -0.09 0.00 0.71 0.00 0.00 52.55 54.17 3hvu s ASP 94 Cb -0.12 -2.42 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 3hvu s ASP 94 CO 0.22 -0.69 0.11 -0.63 0.21 0.00 0.00 175.17 174.39 3hvu s ILE 95 N 3.09 5.23 -0.26 0.77 -1.09 0.50 -0.59 121.20 128.86 3hvu s ILE 95 Ca 0.33 0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.89 3hvu s ILE 95 Cb -0.13 -3.35 0.06 0.00 -1.58 0.00 0.00 42.46 37.46 3hvu s ILE 95 CO 0.15 0.48 -0.08 -0.22 -1.23 0.00 0.00 174.94 174.04 3hvu s LEU 96 N 0.08 3.19 -0.19 2.97 2.96 -0.00 -1.36 118.68 126.33 3hvu s LEU 96 Ca 0.08 -1.36 -0.20 0.00 -0.22 0.00 0.00 54.13 52.42 3hvu s LEU 96 Cb -0.12 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 3hvu s LEU 96 CO -0.00 -0.22 0.60 -0.63 -1.32 0.00 0.00 176.35 174.78 3hvu s ILE 97 N 1.20 5.05 -0.20 6.68 1.01 -0.21 -0.27 121.20 134.46 3hvu s ILE 97 Ca -0.06 1.13 -0.05 0.00 0.00 0.00 0.00 60.65 61.67 3hvu s ILE 97 Cb -0.19 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 3hvu s ILE 97 CO -0.06 0.14 -0.01 -0.69 0.00 0.00 0.00 174.94 174.32 3hvu s VAL 98 N 1.72 3.81 0.09 2.92 1.01 -0.07 -1.01 120.40 128.86 3hvu s VAL 98 Ca 0.28 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.93 3hvu s VAL 98 Cb -0.16 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3hvu s VAL 98 CO 0.11 0.43 -0.10 -0.70 0.00 0.00 0.00 175.10 174.84 3hvu s GLU 99 N 1.03 0.80 -0.05 2.72 2.56 -0.50 -4.21 118.70 121.06 3hvu s GLU 99 Ca 0.01 -1.12 -0.21 0.00 0.00 0.00 0.00 54.97 53.65 3hvu s GLU 99 Cb -0.14 -0.48 -0.31 0.00 2.00 0.00 0.00 34.13 35.19 3hvu s GLU 99 CO 0.01 0.07 0.86 0.38 -0.56 0.00 0.00 175.26 176.03 3hvu h ASP 100 N 3.65 0.46 -4.58 -1.70 2.03 -1.87 -1.94 116.42 112.47 3hvu h ASP 100 Ca -0.37 -0.94 -0.11 0.00 -0.73 0.00 0.00 57.03 54.87 3hvu h ASP 100 Cb 1.19 -0.15 -0.21 0.00 -0.83 0.00 0.00 39.33 39.32 3hvu h ASP 100 CO 0.52 1.41 -0.21 -0.51 -1.03 0.00 0.00 179.24 179.42 3hvu s ILE 101 N -2.43 0.03 -0.14 4.15 2.07 -1.26 -0.16 121.20 123.46 3hvu s ILE 101 Ca -0.14 -0.25 0.01 0.00 -1.41 0.00 0.00 60.65 58.86 3hvu s ILE 101 Cb 0.01 -0.64 -0.00 0.00 0.13 0.00 0.00 42.46 41.96 3hvu s ILE 101 CO 0.83 -0.14 -0.16 -0.63 -1.91 0.00 0.00 174.94 172.93 3hvu s ILE 102 N -0.74 2.65 0.00 2.00 1.01 -0.98 -4.99 121.20 120.14 3hvu s ILE 102 Ca -0.08 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3hvu s ILE 102 Cb -0.04 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.33 3hvu s ILE 102 CO 0.04 0.52 0.00 -0.67 0.00 0.00 0.00 174.94 174.83 3hvu n ASP 103 N 3.90 0.00 0.18 3.58 -0.08 -1.26 -1.71 116.55 121.16 3hvu n ASP 103 Ca -0.19 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.12 3hvu n ASP 103 Cb 0.52 0.00 0.31 0.00 2.34 0.00 0.00 41.12 44.29 3hvu n ASP 103 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3hvu h SER 104 N 0.00 0.00 0.00 1.67 4.64 -1.87 -2.28 113.55 115.71 3hvu h SER 104 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hvu h SER 104 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hvu h SER 104 CO 0.00 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.01 3hvu n GLY 105 N 0.06 1.18 0.39 -0.77 0.00 -1.26 -1.01 105.19 103.78 3hvu n GLY 105 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 3hvu n GLY 105 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hvu h LEU 106 N 0.00 -0.81 -0.52 0.99 3.38 -1.90 -0.98 115.31 115.47 3hvu h LEU 106 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hvu h LEU 106 Cb 0.00 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3hvu h LEU 106 CO 0.00 -0.54 0.21 0.71 0.09 0.00 0.00 178.44 178.92 3hvu h THR 107 N -1.01 1.21 -0.48 0.22 1.35 -1.87 -2.05 112.91 110.28 3hvu h THR 107 Ca -0.10 -0.65 -0.07 0.00 -0.55 0.00 0.00 66.41 65.04 3hvu h THR 107 Cb 0.74 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 67.82 3hvu h THR 107 CO 0.16 0.25 0.00 -0.07 -0.25 0.00 0.00 175.52 175.61 3hvu h LEU 108 N 0.70 0.76 -0.95 3.87 3.38 -1.91 -1.91 115.31 119.25 3hvu h LEU 108 Ca 0.17 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hvu h LEU 108 Cb 0.18 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3hvu h LEU 108 CO -0.02 0.83 0.58 -1.28 0.09 0.00 0.00 178.44 178.64 3hvu h SER 109 N 0.74 1.14 -0.48 -0.43 0.87 -0.87 0.72 113.55 115.24 3hvu h SER 109 Ca 0.15 -0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 3hvu h SER 109 Cb 0.45 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3hvu h SER 109 CO 0.02 0.87 -0.07 0.22 -0.53 0.00 0.00 176.83 177.34 3hvu h TYR 110 N 1.31 0.99 -0.27 2.24 3.20 -1.04 -2.64 116.97 120.77 3hvu h TYR 110 Ca 0.34 -0.20 -0.17 0.00 3.14 0.00 0.00 58.73 61.84 3hvu h TYR 110 Cb -0.06 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 37.96 3hvu h TYR 110 CO 0.00 0.96 -0.50 -0.07 -1.64 0.00 0.00 178.16 176.91 3hvu h LEU 111 N 0.75 0.90 -0.30 2.82 3.38 -1.07 -1.21 115.31 120.58 3hvu h LEU 111 Ca 0.13 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.60 3hvu h LEU 111 Cb 0.60 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3hvu h LEU 111 CO 0.04 1.27 0.10 0.58 0.09 0.00 0.00 178.44 180.51 3hvu h VAL 112 N 0.57 0.91 0.00 1.22 2.07 -0.84 -0.67 116.25 119.52 3hvu h VAL 112 Ca 0.01 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3hvu h VAL 112 Cb 1.11 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3hvu h VAL 112 CO 0.11 0.04 -0.10 0.44 0.02 0.00 0.00 177.57 178.08 3hvu h ASP 113 N 0.23 0.00 -0.23 0.57 3.32 -1.45 -1.50 116.42 117.36 3hvu h ASP 113 Ca 0.13 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3hvu h ASP 113 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 3hvu h ASP 113 CO -0.14 0.10 -0.21 0.25 -1.72 0.00 0.00 179.24 177.52 3hvu h LEU 114 N 0.00 0.59 -0.86 1.55 5.85 -0.77 -0.36 115.31 121.31 3hvu h LEU 114 Ca -0.00 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 3hvu h LEU 114 Cb 0.83 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3hvu h LEU 114 CO 0.01 0.93 0.13 -0.26 -0.34 0.00 0.00 178.44 178.91 3hvu h PHE 115 N 0.25 1.02 -0.37 1.25 0.04 -0.67 -0.48 116.94 117.98 3hvu h PHE 115 Ca 0.04 -0.12 -0.09 0.00 2.80 0.00 0.00 57.97 60.61 3hvu h PHE 115 Cb 0.75 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 3hvu h PHE 115 CO 0.07 0.85 -0.13 0.87 -0.60 0.00 0.00 178.31 179.38 3hvu h LYS 116 N 0.92 0.65 -0.39 1.51 1.57 -1.22 -1.79 116.57 117.83 3hvu h LYS 116 Ca 0.19 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3hvu h LYS 116 Cb 0.36 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3hvu h LYS 116 CO 0.00 0.76 0.06 -0.92 -0.57 0.00 0.00 179.45 178.79 3hvu h TYR 117 N 0.59 0.60 -0.05 -1.35 3.20 -0.39 -1.50 116.97 118.06 3hvu h TYR 117 Ca 0.10 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3hvu h TYR 117 Cb 0.56 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3hvu h TYR 117 CO 0.02 0.54 0.00 0.54 -1.64 0.00 0.00 178.16 177.62 3hvu n ARG 118 N -4.31 1.13 -3.03 1.82 1.74 -0.25 -4.89 116.66 108.86 3hvu n ARG 118 Ca 0.02 -0.20 -0.12 0.00 -0.77 0.00 0.00 57.85 56.78 3hvu n ARG 118 Cb 0.21 -1.09 0.04 0.00 -1.02 0.00 0.00 32.46 30.61 3hvu n ARG 118 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hvu n LYS 119 N -0.38 -4.17 -1.79 5.56 5.02 -0.56 -2.58 118.16 119.25 3hvu n LYS 119 Ca 0.04 0.45 -0.36 0.00 -2.02 0.00 0.00 58.31 56.42 3hvu n LYS 119 Cb 0.06 -4.32 0.06 0.00 -0.02 0.00 0.00 35.03 30.81 3hvu n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hvu s ALA 120 N -3.18 2.39 0.23 7.82 0.00 -0.86 -0.75 121.76 127.42 3hvu s ALA 120 Ca 0.26 1.06 0.09 0.00 0.00 0.00 0.00 51.96 53.37 3hvu s ALA 120 Cb -0.11 -3.49 0.19 0.00 0.00 0.00 0.00 23.12 19.70 3hvu s ALA 120 CO 0.39 -1.47 1.52 -0.22 0.00 0.00 0.00 175.76 175.98 3hvu h LYS 121 N 0.51 0.01 -2.09 0.00 3.64 -0.37 -3.43 116.57 114.83 3hvu h LYS 121 Ca -0.50 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 58.95 3hvu h LYS 121 Cb 1.31 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.96 3hvu h LYS 121 CO 0.53 0.73 0.46 -1.54 -2.27 0.00 0.00 179.45 177.36 3hvu s SER 122 N -6.81 -0.41 -0.04 4.20 1.04 -1.17 -4.95 113.70 105.56 3hvu s SER 122 Ca -0.01 0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.61 3hvu s SER 122 Cb 0.12 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.66 3hvu s SER 122 CO 0.78 -0.56 0.02 -0.69 0.98 0.00 0.00 173.24 173.77 3hvu s VAL 123 N -2.38 0.09 0.17 5.02 1.01 -1.26 -0.37 120.40 122.68 3hvu s VAL 123 Ca 0.01 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.24 3hvu s VAL 123 Cb -0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 3hvu s VAL 123 CO -0.04 0.17 -0.03 -0.54 0.00 0.00 0.00 175.10 174.66 3hvu s LYS 124 N 1.60 1.11 -0.05 2.72 1.02 -0.46 -4.99 119.74 120.69 3hvu s LYS 124 Ca -0.02 -1.52 0.03 0.00 0.02 0.00 0.00 55.97 54.48 3hvu s LYS 124 Cb -0.13 -0.41 0.01 0.00 -0.52 0.00 0.00 37.83 36.78 3hvu s LYS 124 CO -0.03 -0.06 -0.12 0.42 -0.92 0.00 0.00 175.35 174.64 3hvu s ILE 125 N -3.53 1.06 -0.14 2.17 1.01 -1.26 -1.05 121.20 119.47 3hvu s ILE 125 Ca 0.22 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3hvu s ILE 125 Cb 0.05 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.58 3hvu s ILE 125 CO 0.03 0.33 -0.22 0.54 0.00 0.00 0.00 174.94 175.62 3hvu s VAL 126 N 0.38 2.11 -0.02 2.92 0.11 -0.18 -0.91 120.40 124.81 3hvu s VAL 126 Ca -0.08 -0.97 0.05 0.00 -2.93 0.00 0.00 61.98 58.05 3hvu s VAL 126 Cb -0.12 -1.84 -0.01 0.00 -1.53 0.00 0.00 36.38 32.87 3hvu s VAL 126 CO 0.02 0.55 -0.17 0.28 -3.33 0.00 0.00 175.10 172.45 3hvu s THR 127 N 0.77 1.35 0.03 5.04 -1.32 -0.35 -1.41 115.64 119.76 3hvu s THR 127 Ca -0.08 -0.73 -0.23 0.00 -1.21 0.00 0.00 61.69 59.45 3hvu s THR 127 Cb -0.16 -1.13 -0.16 0.00 -1.51 0.00 0.00 72.50 69.55 3hvu s THR 127 CO -0.01 0.38 1.41 0.25 -2.21 0.00 0.00 174.62 174.45 3hvu h LEU 128 N 5.78 0.16 -8.87 9.08 5.85 -1.25 -0.73 115.31 125.32 3hvu h LEU 128 Ca -0.36 -0.37 -0.68 0.00 0.84 0.00 0.00 57.88 57.31 3hvu h LEU 128 Cb 1.15 -0.04 -0.23 0.00 0.37 0.00 0.00 40.66 41.91 3hvu h LEU 128 CO 0.48 0.49 -0.87 -0.76 -0.34 0.00 0.00 178.44 177.44 3hvu s LEU 129 N -9.42 2.30 -0.05 2.25 1.43 0.78 0.09 118.68 116.05 3hvu s LEU 129 Ca -0.15 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 52.22 3hvu s LEU 129 Cb 0.04 -1.21 0.03 0.00 0.03 0.00 0.00 46.19 45.08 3hvu s LEU 129 CO 0.70 0.18 0.01 -0.62 0.23 0.00 0.00 176.35 176.86 3hvu s ASP 130 N -1.93 1.07 -0.78 2.29 2.15 0.53 -2.33 116.67 117.66 3hvu s ASP 130 Ca 0.13 -0.03 -0.01 0.00 0.43 0.00 0.00 52.55 53.08 3hvu s ASP 130 Cb -0.10 -0.29 0.19 0.00 -0.30 0.00 0.00 42.92 42.42 3hvu s ASP 130 CO 0.05 -0.17 0.63 -0.54 -0.17 0.00 0.00 175.17 174.97 3hvu s LYS 131 N 1.66 2.92 0.58 4.34 1.02 -0.69 -0.81 119.74 128.76 3hvu s LYS 131 Ca -0.01 -3.10 0.30 0.00 0.02 0.00 0.00 55.97 53.18 3hvu s LYS 131 Cb -0.13 -3.78 1.79 0.00 -0.52 0.00 0.00 37.83 35.19 3hvu s LYS 131 CO -0.03 -1.24 2.24 -1.00 -0.92 0.00 0.00 175.35 174.39 3hvu h PRO 132 N 6.14 0.00 0.00 -1.68 0.13 -1.82 -1.95 132.00 132.81 3hvu h PRO 132 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3hvu h PRO 132 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3hvu h PRO 132 CO 0.79 0.02 0.00 0.25 -0.23 0.00 0.00 178.00 178.83 3hvu n THR 133 N -3.79 0.31 0.80 1.56 -2.24 -1.26 -3.16 114.28 106.49 3hvu n THR 133 Ca -0.03 0.08 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 3hvu n THR 133 Cb 0.10 -0.66 0.38 0.00 -2.10 0.00 0.00 70.33 68.05 3hvu n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hvu n GLY 134 N 0.97 -1.48 3.62 3.38 0.00 -0.73 -4.96 105.19 105.99 3hvu n GLY 134 Ca 0.07 -0.17 -0.48 0.00 0.00 0.00 0.00 46.02 45.45 3hvu n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hvu n ARG 135 N -1.84 1.57 -0.00 1.61 5.12 -0.86 -3.81 116.66 118.46 3hvu n ARG 135 Ca 0.05 0.56 0.03 0.00 -1.93 0.00 0.00 57.85 56.57 3hvu n ARG 135 Cb 0.39 -2.18 -0.04 0.00 -1.16 0.00 0.00 32.46 29.47 3hvu n ARG 135 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3hvu n LYS 136 N 2.22 4.16 -4.00 5.56 5.02 -0.18 -4.96 118.16 125.98 3hvu n LYS 136 Ca 0.15 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.34 3hvu n LYS 136 Cb 0.26 -0.85 -0.10 0.00 -0.02 0.00 0.00 35.03 34.33 3hvu n LYS 136 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hvu s VAL 137 N -1.72 0.16 -0.12 -0.18 0.11 -1.18 -5.03 120.40 112.44 3hvu s VAL 137 Ca 0.01 -1.34 -0.29 0.00 -2.93 0.00 0.00 61.98 57.43 3hvu s VAL 137 Cb 0.04 -1.04 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 3hvu s VAL 137 CO 0.25 -0.74 1.21 -1.81 -3.33 0.00 0.00 175.10 170.68 3hvu s ASP 138 N -2.35 7.01 -0.30 3.54 -0.00 -1.26 -4.78 116.67 118.53 3hvu s ASP 138 Ca -0.02 1.71 -0.07 0.00 -0.00 0.00 0.00 52.55 54.17 3hvu s ASP 138 Cb 0.01 -2.55 0.16 0.00 -0.00 0.00 0.00 42.92 40.54 3hvu s ASP 138 CO -0.06 -0.67 0.69 -0.22 -0.00 0.00 0.00 175.17 174.91 3hvu s LEU 139 N 2.90 -1.14 -0.19 1.23 2.96 -1.26 -5.04 118.68 118.13 3hvu s LEU 139 Ca 0.54 1.13 -0.03 0.00 -0.22 0.00 0.00 54.13 55.55 3hvu s LEU 139 Cb -0.22 2.12 -0.02 0.00 0.50 0.00 0.00 46.19 48.58 3hvu s LEU 139 CO 0.17 -0.22 -0.05 -1.59 -1.32 0.00 0.00 176.35 173.35 3hvu s LYS 140 N 2.84 3.46 0.60 1.98 -2.85 -1.26 -5.02 119.74 119.49 3hvu s LYS 140 Ca 0.05 -0.60 -0.17 0.00 -1.00 0.00 0.00 55.97 54.25 3hvu s LYS 140 Cb -0.12 -2.94 -0.03 0.00 -2.06 0.00 0.00 37.83 32.67 3hvu s LYS 140 CO -0.19 -0.02 1.13 0.00 0.10 0.00 0.00 175.35 176.36 3hvu s ALA 141 N 1.03 2.58 -0.08 0.59 0.00 -1.26 -4.93 121.76 119.69 3hvu s ALA 141 Ca 0.01 0.71 0.14 0.00 0.00 0.00 0.00 51.96 52.82 3hvu s ALA 141 Cb -0.15 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 3hvu s ALA 141 CO 0.00 -1.02 1.15 -0.44 0.00 0.00 0.00 175.76 175.46 3hvu h ASP 142 N 0.66 0.00 -3.65 0.00 3.32 -1.41 -3.45 116.42 111.89 3hvu h ASP 142 Ca -0.49 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.25 3hvu h ASP 142 Cb 1.26 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.49 3hvu h ASP 142 CO 0.55 0.67 -0.74 -0.31 -1.72 0.00 0.00 179.24 177.69 3hvu s TYR 143 N -2.87 0.30 -0.05 4.55 2.02 -0.50 -5.00 117.35 115.81 3hvu s TYR 143 Ca 0.01 -0.03 -0.00 0.00 -0.37 0.00 0.00 57.07 56.68 3hvu s TYR 143 Cb 0.08 -0.31 0.03 0.00 -0.40 0.00 0.00 41.96 41.36 3hvu s TYR 143 CO 0.79 -0.07 -0.01 0.08 -1.57 0.00 0.00 175.55 174.77 3hvu s VAL 144 N 0.51 0.31 -0.04 0.71 1.01 -1.26 -1.21 120.40 120.43 3hvu s VAL 144 Ca -0.05 0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 3hvu s VAL 144 Cb -0.08 -0.41 -0.08 0.00 0.00 0.00 0.00 36.38 35.81 3hvu s VAL 144 CO -0.01 0.20 0.59 1.23 0.00 0.00 0.00 175.10 177.11 3hvu h GLY 145 N 7.60 -0.51 -5.29 4.51 0.00 -0.77 -3.48 103.07 105.12 3hvu h GLY 145 Ca -0.33 0.19 -0.19 0.00 0.00 0.00 0.00 47.33 47.00 3hvu h GLY 145 CO 0.39 -0.19 -0.62 -1.36 0.00 0.00 0.00 176.54 174.76 3hvu s PHE 146 N -3.16 -0.00 -0.24 5.60 0.08 0.11 -5.01 117.98 115.37 3hvu s PHE 146 Ca -0.07 0.02 -0.13 0.00 0.12 0.00 0.00 56.93 56.86 3hvu s PHE 146 Cb 0.01 -0.02 -0.04 0.00 -0.57 0.00 0.00 43.02 42.39 3hvu s PHE 146 CO 0.22 -0.10 0.28 0.99 -0.10 0.00 0.00 175.22 176.50 3hvu s THR 147 N -0.44 5.27 0.14 0.64 2.01 -1.26 -0.35 115.64 121.65 3hvu s THR 147 Ca -0.05 0.41 0.11 0.00 0.31 0.00 0.00 61.69 62.47 3hvu s THR 147 Cb -0.03 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 3hvu s THR 147 CO 0.00 0.27 -0.26 0.68 -0.69 0.00 0.00 174.62 174.62 3hvu s VAL 148 N 1.44 2.31 0.00 3.82 -7.23 0.01 -4.92 120.40 115.83 3hvu s VAL 148 Ca 0.12 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 3hvu s VAL 148 Cb -0.15 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.75 3hvu s VAL 148 CO 0.07 0.05 0.00 -0.81 -0.31 0.00 0.00 175.10 174.11 3hvu n PRO 149 N 0.78 0.33 -2.70 4.82 -0.04 -1.26 -4.35 135.00 132.58 3hvu n PRO 149 Ca -0.17 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.86 3hvu n PRO 149 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 3hvu n PRO 149 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3hvu n HIS 150 N -1.38 4.61 -4.35 0.54 -0.00 -1.26 -4.93 115.22 108.44 3hvu n HIS 150 Ca 0.00 -3.11 -0.30 0.00 0.46 0.00 0.00 57.72 54.77 3hvu n HIS 150 Cb 0.00 -2.35 -0.11 0.00 -0.12 0.00 0.00 29.99 27.41 3hvu n HIS 150 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 3hvu s GLU 151 N 2.48 1.97 -0.68 1.57 0.41 -1.26 -5.07 118.70 118.12 3hvu s GLU 151 Ca 0.47 -1.08 -0.25 0.00 -0.41 0.00 0.00 54.97 53.69 3hvu s GLU 151 Cb 0.02 -2.20 0.04 0.00 -1.78 0.00 0.00 34.13 30.21 3hvu s GLU 151 CO 0.02 0.50 1.14 0.12 -0.49 0.00 0.00 175.26 176.56 3hvu s PHE 152 N -1.12 2.48 -0.02 1.61 5.99 -1.26 -4.99 117.98 120.67 3hvu s PHE 152 Ca 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 56.93 56.92 3hvu s PHE 152 Cb -0.11 -4.46 -0.04 0.00 0.00 0.00 0.00 43.02 38.41 3hvu s PHE 152 CO 0.10 -1.83 0.16 0.14 -0.00 0.00 0.00 175.22 173.79 3hvu s VAL 153 N 4.96 5.30 0.14 3.12 -7.23 -1.26 -1.74 120.40 123.70 3hvu s VAL 153 Ca 0.31 -0.18 -0.01 0.00 -1.81 0.00 0.00 61.98 60.29 3hvu s VAL 153 Cb -0.11 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 3hvu s VAL 153 CO 0.15 0.35 0.06 0.68 -0.31 0.00 0.00 175.10 176.03 3hvu s VAL 154 N -1.28 0.09 0.00 1.32 -7.23 -0.11 -4.67 120.40 108.52 3hvu s VAL 154 Ca 0.26 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 3hvu s VAL 154 Cb -0.12 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.73 3hvu s VAL 154 CO 0.17 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 3hvu n GLY 155 N -0.11 2.28 4.07 2.32 0.00 0.79 -0.80 105.19 113.73 3hvu n GLY 155 Ca -0.05 -1.90 -0.28 0.00 0.00 0.00 0.00 46.02 43.80 3hvu n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3hvu n TYR 156 N 1.88 -1.52 0.00 1.61 9.36 0.09 -1.22 117.16 127.35 3hvu n TYR 156 Ca 0.00 0.68 0.00 0.00 3.32 0.00 0.00 57.90 61.90 3hvu n TYR 156 Cb 0.00 -3.41 0.00 0.00 -0.63 0.00 0.00 39.34 35.30 3hvu n TYR 156 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hvu n GLY 157 N -2.18 2.80 3.71 2.98 0.00 -0.13 -4.57 105.19 107.80 3hvu n GLY 157 Ca -0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3hvu n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hvu s LEU 158 N 0.00 4.36 0.36 0.99 1.43 -0.36 -4.20 118.68 121.26 3hvu s LEU 158 Ca 0.00 1.60 0.08 0.00 -1.03 0.00 0.00 54.13 54.79 3hvu s LEU 158 Cb 0.00 -3.51 -0.06 0.00 0.03 0.00 0.00 46.19 42.65 3hvu s LEU 158 CO 0.00 -0.25 0.06 1.51 0.23 0.00 0.00 176.35 177.90 3hvu s ASP 159 N 0.99 4.24 -0.12 2.29 -4.77 -1.26 -0.15 116.67 117.88 3hvu s ASP 159 Ca 0.50 -1.04 -0.03 0.00 -3.30 0.00 0.00 52.55 48.68 3hvu s ASP 159 Cb -0.21 -0.52 0.05 0.00 -1.09 0.00 0.00 42.92 41.15 3hvu s ASP 159 CO 0.27 -0.33 0.06 -0.47 0.70 0.00 0.00 175.17 175.39 3hvu s TYR 160 N -2.55 0.36 -1.51 2.11 5.04 -0.76 -4.80 117.35 115.23 3hvu s TYR 160 Ca 0.36 -0.21 -0.13 0.00 -2.44 0.00 0.00 57.07 54.65 3hvu s TYR 160 Cb 0.02 -0.70 0.08 0.00 0.35 0.00 0.00 41.96 41.70 3hvu s TYR 160 CO 0.20 -0.41 0.99 1.63 -1.34 0.00 0.00 175.55 176.63 3hvu n LYS 161 N 5.23 -5.74 -0.81 4.97 5.02 -1.26 -1.65 118.16 123.92 3hvu n LYS 161 Ca -0.06 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 3hvu n LYS 161 Cb 0.49 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 3hvu n LYS 161 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3hvu n GLU 162 N -4.71 -0.01 -3.23 1.97 -0.58 -1.26 -5.00 120.64 107.83 3hvu n GLU 162 Ca 0.03 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.57 3hvu n GLU 162 Cb 0.53 -3.27 0.01 0.00 -0.57 0.00 0.00 31.44 28.14 3hvu n GLU 162 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3hvu s GLN 163 N -0.39 2.58 0.00 3.49 -0.21 -0.66 -4.60 119.66 119.88 3hvu s GLN 163 Ca 0.00 -1.48 0.00 0.00 0.02 0.00 0.00 55.36 53.90 3hvu s GLN 163 Cb 0.00 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 31.43 3hvu s GLN 163 CO 0.00 -0.42 0.00 0.66 -2.12 0.00 0.00 175.29 173.41 3hvu n TYR 164 N -1.86 0.00 0.23 0.91 4.01 -1.26 -1.83 117.16 117.35 3hvu n TYR 164 Ca 0.08 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.95 3hvu n TYR 164 Cb 0.61 -0.27 0.76 0.00 -0.31 0.00 0.00 39.34 40.13 3hvu n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hvu h ARG 165 N 1.67 0.00 0.00 -0.72 3.08 -1.81 -1.83 114.38 114.77 3hvu h ARG 165 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hvu h ARG 165 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3hvu h ARG 165 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.17 3hvu n ASN 166 N -4.18 0.00 -4.77 7.04 6.94 -1.26 -0.96 115.26 118.07 3hvu n ASN 166 Ca -0.01 -0.50 -0.40 0.00 -0.02 0.00 0.00 54.58 53.65 3hvu n ASN 166 Cb 0.20 -0.17 -0.00 0.00 -2.36 0.00 0.00 39.78 37.45 3hvu n ASN 166 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3hvu s LEU 167 N -2.33 4.30 0.00 -4.53 1.43 -0.69 -4.81 118.68 112.04 3hvu s LEU 167 Ca 0.36 2.88 0.17 0.00 -1.03 0.00 0.00 54.13 56.51 3hvu s LEU 167 Cb 0.21 -3.74 0.84 0.00 0.03 0.00 0.00 46.19 43.52 3hvu s LEU 167 CO 0.42 -0.83 1.56 -0.81 0.23 0.00 0.00 176.35 176.93 3hvu n PRO 168 N 0.39 1.28 -4.32 1.29 -0.04 -1.26 -0.73 135.00 131.61 3hvu n PRO 168 Ca 0.02 -0.43 -0.18 0.00 -0.04 0.00 0.00 63.50 62.86 3hvu n PRO 168 Cb 0.41 -1.29 -0.09 0.00 -0.04 0.00 0.00 33.50 32.48 3hvu n PRO 168 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3hvu s TYR 169 N -1.90 1.58 -0.23 0.54 -0.85 -1.26 -4.06 117.35 111.16 3hvu s TYR 169 Ca 0.26 -1.38 -0.06 0.00 -0.52 0.00 0.00 57.07 55.37 3hvu s TYR 169 Cb 0.13 -0.83 -0.02 0.00 0.38 0.00 0.00 41.96 41.61 3hvu s TYR 169 CO 0.21 -0.54 0.03 0.08 -1.52 0.00 0.00 175.55 173.81 3hvu s VAL 170 N -3.64 4.07 0.32 -3.49 1.01 -0.37 -2.90 120.40 115.41 3hvu s VAL 170 Ca 0.36 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.15 3hvu s VAL 170 Cb 0.05 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.49 3hvu s VAL 170 CO 0.18 0.38 -0.05 -0.83 0.00 0.00 0.00 175.10 174.77 3hvu s GLY 171 N 1.41 2.07 -0.21 4.51 0.00 0.02 -0.42 107.32 114.70 3hvu s GLY 171 Ca 0.05 -2.04 -0.11 0.00 0.00 0.00 0.00 44.72 42.63 3hvu s GLY 171 CO 0.02 -1.94 0.15 0.14 0.00 0.00 0.00 173.10 171.48 3hvu s VAL 172 N -2.87 5.39 0.24 1.40 1.01 0.98 -0.93 120.40 125.62 3hvu s VAL 172 Ca 0.32 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 3hvu s VAL 172 Cb 0.05 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.84 3hvu s VAL 172 CO 0.15 0.41 1.01 -0.22 0.00 0.00 0.00 175.10 176.45 3hvu s LEU 173 N 0.57 4.59 0.27 3.92 2.96 -0.71 -0.02 118.68 130.26 3hvu s LEU 173 Ca 0.09 2.07 -0.30 0.00 -0.22 0.00 0.00 54.13 55.77 3hvu s LEU 173 Cb -0.12 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.85 3hvu s LEU 173 CO 0.00 0.01 1.44 -0.54 -1.32 0.00 0.00 176.35 175.94 3hvu s LYS 174 N -1.16 4.25 0.29 1.98 1.02 -0.58 -4.59 119.74 120.96 3hvu s LYS 174 Ca 0.43 2.33 0.03 0.00 0.02 0.00 0.00 55.97 58.78 3hvu s LYS 174 Cb -0.28 -3.09 0.72 0.00 -0.52 0.00 0.00 37.83 34.65 3hvu s LYS 174 CO 0.35 -0.42 1.67 -1.35 -0.92 0.00 0.00 175.35 174.68 3hvu h PRO 175 N 4.74 0.29 -0.83 -1.68 0.11 -1.94 -0.77 132.00 131.92 3hvu h PRO 175 Ca -0.47 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 65.83 3hvu h PRO 175 Cb 1.22 -0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.13 3hvu h PRO 175 CO 0.76 0.19 0.21 1.03 -0.21 0.00 0.00 178.00 179.98 3hvu h SER 176 N 0.30 0.00 -0.88 -2.05 0.87 -1.90 0.20 113.55 110.09 3hvu h SER 176 Ca 0.55 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 61.28 3hvu h SER 176 Cb 1.09 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 63.25 3hvu h SER 176 CO -0.59 -0.11 0.50 0.58 -0.53 0.00 0.00 176.83 176.68 3hvu h VAL 177 N 0.24 1.25 -0.00 2.23 2.07 -1.48 -3.28 116.25 117.27 3hvu h VAL 177 Ca 0.50 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3hvu h VAL 177 Cb 0.95 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3hvu h VAL 177 CO -0.60 0.28 -0.55 0.00 0.02 0.00 0.00 177.57 176.71 3hvu n TYR 178 N -4.34 0.00 1.36 1.57 4.11 -0.90 -5.11 117.16 113.85 3hvu n TYR 178 Ca 0.09 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.13 3hvu n TYR 178 Cb 0.09 0.00 0.40 0.00 -0.00 0.00 0.00 39.34 39.83 3hvu n TYR 178 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29