#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 2.98 0.37 2.98 5.36 -1.26 -5.11 117.98 123.30 3hvu s PHE -4 Ca 0.00 -0.52 0.08 0.00 -0.96 0.00 0.00 56.93 55.53 3hvu s PHE -4 Cb 0.00 -2.00 -0.06 0.00 -0.34 0.00 0.00 43.02 40.62 3hvu s PHE -4 CO 0.00 -0.22 0.04 -0.65 -1.46 0.00 0.00 175.22 172.93 3hvu s GLN -3 N 0.76 2.07 0.00 10.12 -0.21 -1.26 -5.14 119.66 126.00 3hvu s GLN -3 Ca -0.02 -1.85 -0.00 0.00 0.02 0.00 0.00 55.36 53.51 3hvu s GLN -3 Cb -0.15 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 31.99 3hvu s GLN -3 CO 0.02 0.04 0.00 -1.13 -2.12 0.00 0.00 175.29 172.10 3hvu n SER -2 N -1.01 -0.00 -4.77 5.90 3.41 -1.26 -5.14 113.62 110.74 3hvu n SER -2 Ca -0.04 -1.00 -0.39 0.00 -0.26 0.00 0.00 58.87 57.19 3hvu n SER -2 Cb 0.64 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 3hvu n SER -2 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hvu s ASN -1 N -1.00 6.94 0.40 4.04 2.47 -1.26 -5.00 114.94 121.53 3hvu s ASN -1 Ca 0.00 2.23 -0.25 0.00 0.42 0.00 0.00 52.86 55.27 3hvu s ASN -1 Cb -0.00 -2.61 -0.09 0.00 -1.45 0.00 0.00 41.25 37.10 3hvu s ASN -1 CO 0.00 -0.37 1.11 0.00 -3.72 0.00 0.00 177.10 174.12 3hvu s ALA 0 N -1.36 3.12 -0.08 1.71 0.00 -1.26 -5.06 121.76 118.83 3hvu s ALA 0 Ca 0.51 0.84 0.04 0.00 0.00 0.00 0.00 51.96 53.35 3hvu s ALA 0 Cb -0.29 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 3hvu s ALA 0 CO 0.37 -0.38 -0.21 -1.64 0.00 0.00 0.00 175.76 173.90 3hvu s MET 1 N -2.36 2.57 0.37 0.00 -1.94 -1.26 -5.04 119.30 111.64 3hvu s MET 1 Ca 0.57 -0.77 0.15 0.00 -1.71 0.00 0.00 55.69 53.93 3hvu s MET 1 Cb -0.27 -2.03 1.03 0.00 2.01 0.00 0.00 34.83 35.57 3hvu s MET 1 CO 0.33 0.20 1.75 0.52 -0.01 0.00 0.00 175.02 177.82 3hvu h MET 2 N 6.58 0.45 -0.63 2.03 2.86 -2.02 -1.29 114.93 122.91 3hvu h MET 2 Ca -0.25 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.47 3hvu h MET 2 Cb 1.21 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.73 3hvu h MET 2 CO 0.47 0.30 0.42 -2.95 1.06 0.00 0.00 176.91 176.21 3hvu h ASN 3 N 0.46 0.39 -0.10 1.22 7.08 -1.96 -0.33 115.58 122.35 3hvu h ASN 3 Ca 0.62 0.01 0.03 0.00 -3.08 0.00 0.00 56.30 53.87 3hvu h ASN 3 Cb 1.42 -0.07 -0.00 0.00 -2.08 0.00 0.00 38.32 37.58 3hvu h ASN 3 CO -0.36 0.23 0.07 1.56 -2.08 0.00 0.00 177.43 176.86 3hvu h GLN 4 N 0.43 0.00 -0.00 4.14 1.08 -1.67 -1.71 115.11 117.38 3hvu h GLN 4 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 3hvu h GLN 4 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 3hvu h GLN 4 CO -0.09 0.00 -0.10 -0.25 -0.95 0.00 0.00 178.83 177.44 3hvu n ASP 5 N -4.38 0.22 -4.63 1.46 8.00 -0.13 -4.81 116.55 112.28 3hvu n ASP 5 Ca -0.01 -0.12 -0.37 0.00 0.71 0.00 0.00 54.79 55.01 3hvu n ASP 5 Cb 0.19 -0.21 -0.10 0.00 -0.02 0.00 0.00 41.12 40.98 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 -2.72 5.31 0.09 0.53 -1.09 -0.64 -1.37 121.20 121.31 3hvu s ILE 6 Ca 0.22 0.16 -0.13 0.00 -2.23 0.00 0.00 60.65 58.67 3hvu s ILE 6 Cb 0.19 -3.49 -0.19 0.00 -1.58 0.00 0.00 42.46 37.40 3hvu s ILE 6 CO 0.52 0.32 1.26 -0.08 -1.23 0.00 0.00 174.94 175.73 3hvu h GLU 7 N 7.75 0.76 -1.83 2.79 4.81 -1.13 -3.46 114.58 124.28 3hvu h GLU 7 Ca -0.37 -0.70 -0.00 0.00 -0.13 0.00 0.00 59.36 58.16 3hvu h GLU 7 Cb 1.18 0.17 -0.21 0.00 0.63 0.00 0.00 28.75 30.52 3hvu h GLU 7 CO 0.63 1.29 0.33 0.21 -0.73 0.00 0.00 179.01 180.73 3hvu s LYS 8 N -3.57 0.87 -0.20 1.92 2.20 -1.22 -5.01 119.74 114.74 3hvu s LYS 8 Ca -0.10 0.23 -0.27 0.00 -0.36 0.00 0.00 55.97 55.47 3hvu s LYS 8 Cb 0.08 0.41 -0.00 0.00 -1.51 0.00 0.00 37.83 36.81 3hvu s LYS 8 CO 0.91 -0.27 0.93 0.08 -0.36 0.00 0.00 175.35 176.64 3hvu s VAL 9 N -1.12 4.79 -0.15 4.02 1.01 -1.26 -0.46 120.40 127.22 3hvu s VAL 9 Ca -0.07 1.81 -0.23 0.00 0.00 0.00 0.00 61.98 63.49 3hvu s VAL 9 Cb -0.00 -4.22 -0.24 0.00 0.00 0.00 0.00 36.38 31.92 3hvu s VAL 9 CO 0.06 -0.07 0.52 0.25 0.00 0.00 0.00 175.10 175.87 3hvu h LEU 10 N 8.86 0.10 -7.50 3.92 5.85 -0.90 -3.45 115.31 122.19 3hvu h LEU 10 Ca -0.25 -0.78 -0.53 0.00 0.84 0.00 0.00 57.88 57.17 3hvu h LEU 10 Cb 1.10 -0.03 -0.38 0.00 0.37 0.00 0.00 40.66 41.71 3hvu h LEU 10 CO 0.90 1.33 -0.78 -0.63 -0.34 0.00 0.00 178.44 178.92 3hvu s ILE 11 N -2.34 0.84 0.77 4.05 1.01 -0.62 -5.02 121.20 119.89 3hvu s ILE 11 Ca -0.23 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 3hvu s ILE 11 Cb 0.02 -1.12 0.05 0.00 0.01 0.00 0.00 42.46 41.43 3hvu s ILE 11 CO 0.68 0.04 1.08 -0.94 0.00 0.00 0.00 174.94 175.80 3hvu s SER 12 N 1.74 4.70 0.25 3.58 1.04 -1.26 -1.50 113.70 122.25 3hvu s SER 12 Ca 0.01 1.59 -0.03 0.00 0.48 0.00 0.00 55.95 57.99 3hvu s SER 12 Cb -0.15 -2.36 0.41 0.00 0.10 0.00 0.00 66.02 64.01 3hvu s SER 12 CO -0.07 -1.88 1.84 -0.08 0.98 0.00 0.00 173.24 174.03 3hvu h GLU 13 N -1.02 0.92 -0.77 4.02 4.81 -1.95 -0.49 114.58 120.10 3hvu h GLU 13 Ca -0.45 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.75 3hvu h GLU 13 Cb 1.24 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 3hvu h GLU 13 CO 0.56 0.61 0.49 1.49 -0.73 0.00 0.00 179.01 181.43 3hvu h GLU 14 N 0.95 0.94 -0.36 1.92 4.81 -1.92 -0.79 114.58 120.14 3hvu h GLU 14 Ca 0.41 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.52 3hvu h GLU 14 Cb 0.29 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3hvu h GLU 14 CO -0.21 0.62 -0.03 1.96 -0.73 0.00 0.00 179.01 180.62 3hvu h GLN 15 N 0.97 0.65 -0.50 1.92 4.20 -1.61 -2.32 115.11 118.42 3hvu h GLN 15 Ca 0.31 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3hvu h GLN 15 Cb 0.00 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3hvu h GLN 15 CO -0.11 0.78 0.26 0.82 -0.67 0.00 0.00 178.83 179.90 3hvu h ILE 16 N 0.45 1.18 -0.56 2.54 2.04 -0.86 -2.04 117.51 120.26 3hvu h ILE 16 Ca 0.10 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 3hvu h ILE 16 Cb 0.50 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3hvu h ILE 16 CO 0.02 0.20 0.14 1.56 0.00 0.00 0.00 178.15 180.07 3hvu h GLN 17 N 0.66 0.89 -0.63 2.37 1.08 -1.08 0.37 115.11 118.76 3hvu h GLN 17 Ca 0.17 -0.21 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 3hvu h GLN 17 Cb 0.09 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 3hvu h GLN 17 CO -0.02 0.83 0.20 0.93 -0.95 0.00 0.00 178.83 179.82 3hvu h GLU 18 N 0.79 0.96 -0.20 1.46 5.08 -1.28 -1.91 114.58 119.48 3hvu h GLU 18 Ca 0.17 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 3hvu h GLU 18 Cb 0.34 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3hvu h GLU 18 CO 0.00 0.83 -0.48 -0.22 -1.00 0.00 0.00 179.01 178.14 3hvu h LYS 19 N 0.93 0.52 -0.44 2.33 1.63 -1.01 -2.46 116.57 118.07 3hvu h LYS 19 Ca 0.21 -0.30 -0.09 0.00 -0.85 0.00 0.00 60.65 59.62 3hvu h LYS 19 Cb 0.26 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 3hvu h LYS 19 CO -0.01 0.89 -0.10 0.28 -3.45 0.00 0.00 179.45 177.06 3hvu h VAL 20 N 0.42 1.26 -0.56 2.00 2.07 -0.72 -0.05 116.25 120.66 3hvu h VAL 20 Ca 0.02 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 3hvu h VAL 20 Cb 1.00 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3hvu h VAL 20 CO 0.09 0.40 0.15 0.25 0.02 0.00 0.00 177.57 178.48 3hvu h LEU 21 N 0.72 0.85 -0.01 2.57 6.46 -1.20 -0.48 115.31 124.22 3hvu h LEU 21 Ca 0.12 -0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 3hvu h LEU 21 Cb 0.59 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 3hvu h LEU 21 CO 0.04 0.85 0.00 -0.08 -0.62 0.00 0.00 178.44 178.63 3hvu h GLU 22 N 0.80 0.02 -0.57 1.25 4.81 -1.18 -2.48 114.58 117.24 3hvu h GLU 22 Ca 0.18 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 3hvu h GLU 22 Cb 0.33 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3hvu h GLU 22 CO 0.00 0.29 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.49 3hvu h LEU 23 N -0.25 0.96 -0.95 1.64 3.38 -0.95 -2.48 115.31 116.67 3hvu h LEU 23 Ca 0.00 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 3hvu h LEU 23 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3hvu h LEU 23 CO 0.00 1.02 0.13 1.23 0.09 0.00 0.00 178.44 180.91 3hvu h GLY 24 N 0.99 0.97 1.22 0.83 0.00 -1.09 -0.63 103.07 105.37 3hvu h GLY 24 Ca 0.16 -0.58 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 3hvu h GLY 24 CO 0.03 0.54 -0.23 0.00 0.00 0.00 0.00 176.54 176.88 3hvu h ALA 25 N 1.28 0.77 -0.11 3.60 0.00 -1.26 -1.74 119.26 121.81 3hvu h ALA 25 Ca 0.18 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3hvu h ALA 25 Cb 0.33 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hvu h ALA 25 CO 0.00 0.66 -0.02 0.82 0.00 0.00 0.00 179.25 180.71 3hvu h ILE 26 N 0.77 1.29 -0.58 0.00 2.04 -1.14 -2.27 117.51 117.61 3hvu h ILE 26 Ca 0.10 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3hvu h ILE 26 Cb 0.78 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 3hvu h ILE 26 CO 0.06 0.26 0.38 0.40 0.00 0.00 0.00 178.15 179.26 3hvu h ILE 27 N -0.11 1.16 -0.58 -0.67 1.08 -1.14 -0.39 117.51 116.85 3hvu h ILE 27 Ca 0.03 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 64.23 3hvu h ILE 27 Cb 0.42 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.45 3hvu h ILE 27 CO 0.01 0.15 0.35 0.00 -0.69 0.00 0.00 178.15 177.97 3hvu h ALA 28 N 1.21 0.75 -0.25 1.87 0.00 -1.28 0.04 119.26 121.61 3hvu h ALA 28 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3hvu h ALA 28 Cb -0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3hvu h ALA 28 CO -0.04 0.08 0.12 1.49 0.00 0.00 0.00 179.25 180.90 3hvu h GLU 29 N 0.70 0.35 0.00 0.00 4.57 -1.06 -1.64 114.58 117.50 3hvu h GLU 29 Ca 0.23 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 3hvu h GLU 29 Cb 0.02 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3hvu h GLU 29 CO -0.10 0.35 -0.17 -0.44 -1.18 0.00 0.00 179.01 177.47 3hvu h ASP 30 N 0.27 0.00 -0.18 1.04 3.32 -0.45 -3.07 116.42 117.35 3hvu h ASP 30 Ca 0.08 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 3hvu h ASP 30 Cb 0.11 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3hvu h ASP 30 CO -0.01 0.17 -0.11 -1.22 -1.72 0.00 0.00 179.24 176.34 3hvu n TYR 31 N -3.92 0.58 0.25 4.55 4.01 -0.05 -4.78 117.16 117.80 3hvu n TYR 31 Ca -0.02 -1.24 0.08 0.00 -0.16 0.00 0.00 57.90 56.56 3hvu n TYR 31 Cb 0.26 -0.32 0.61 0.00 -0.31 0.00 0.00 39.34 39.58 3hvu n TYR 31 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3hvu h LYS 32 N 0.96 0.00 -0.52 -0.72 2.10 -1.20 -2.96 116.57 114.22 3hvu h LYS 32 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 3hvu h LYS 32 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 3hvu h LYS 32 CO 0.18 0.08 0.00 0.09 -2.00 0.00 0.00 179.45 177.80 3hvu n ASN 33 N -4.34 4.48 -3.72 7.07 5.03 -1.26 -4.95 115.26 117.57 3hvu n ASN 33 Ca -0.03 -2.56 -0.14 0.00 0.87 0.00 0.00 54.58 52.72 3hvu n ASN 33 Cb 0.16 -0.54 -0.08 0.00 -1.02 0.00 0.00 39.78 38.30 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 -2.04 0.05 -0.57 3.41 -1.32 -1.12 -5.10 115.64 108.96 3hvu s THR 34 Ca 0.46 -0.40 -0.18 0.00 -1.21 0.00 0.00 61.69 60.37 3hvu s THR 34 Cb 0.31 -0.69 0.11 0.00 -1.51 0.00 0.00 72.50 70.72 3hvu s THR 34 CO 0.19 -0.22 0.62 0.68 -2.21 0.00 0.00 174.62 173.68 3hvu s VAL 35 N -1.36 4.98 0.67 5.08 -7.23 -1.26 -4.84 120.40 116.44 3hvu s VAL 35 Ca -0.13 -1.16 -0.11 0.00 -1.81 0.00 0.00 61.98 58.77 3hvu s VAL 35 Cb -0.04 -4.41 -0.01 0.00 0.56 0.00 0.00 36.38 32.47 3hvu s VAL 35 CO 0.05 -1.00 1.06 -2.16 -0.31 0.00 0.00 175.10 172.74 3hvu s PRO 36 N 2.25 3.18 -0.40 4.82 0.04 -1.26 -4.75 135.00 138.88 3hvu s PRO 36 Ca 0.08 0.68 -0.14 0.00 0.04 0.00 0.00 61.00 61.67 3hvu s PRO 36 Cb -0.26 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.27 3hvu s PRO 36 CO 0.05 -0.85 0.28 -1.17 0.04 0.00 0.00 177.00 175.35 3hvu s LEU 37 N -5.32 5.04 -0.28 -3.56 2.96 -0.10 -1.48 118.68 115.93 3hvu s LEU 37 Ca 0.57 -0.98 -0.19 0.00 -0.22 0.00 0.00 54.13 53.30 3hvu s LEU 37 Cb -0.12 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 3hvu s LEU 37 CO 0.53 -0.45 0.57 0.00 -1.32 0.00 0.00 176.35 175.68 3hvu s ALA 38 N 1.63 3.56 -0.08 5.97 0.00 0.89 -1.14 121.76 132.60 3hvu s ALA 38 Ca 0.04 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.40 3hvu s ALA 38 Cb -0.20 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 3hvu s ALA 38 CO 0.09 -0.91 -0.20 0.42 0.00 0.00 0.00 175.76 175.15 3hvu s ILE 39 N 2.45 2.49 -0.05 0.00 1.01 0.21 -1.26 121.20 126.05 3hvu s ILE 39 Ca 0.23 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 60.03 3hvu s ILE 39 Cb -0.15 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 3hvu s ILE 39 CO 0.10 0.56 -0.20 -0.83 0.00 0.00 0.00 174.94 174.58 3hvu s GLY 40 N -0.11 1.40 -0.26 6.18 0.00 -0.85 -0.40 107.32 113.29 3hvu s GLY 40 Ca -0.04 -1.03 -0.14 0.00 0.00 0.00 0.00 44.72 43.51 3hvu s GLY 40 CO 0.04 -0.74 0.34 0.14 0.00 0.00 0.00 173.10 172.88 3hvu s VAL 41 N -0.48 5.20 0.58 1.40 1.01 -1.26 -1.79 120.40 125.07 3hvu s VAL 41 Ca 0.06 0.51 -0.20 0.00 0.00 0.00 0.00 61.98 62.35 3hvu s VAL 41 Cb -0.12 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3hvu s VAL 41 CO 0.01 0.18 1.28 -0.76 0.00 0.00 0.00 175.10 175.82 3hvu s LEU 42 N 1.93 3.74 -0.02 3.92 1.43 -0.45 -3.64 118.68 125.58 3hvu s LEU 42 Ca 0.14 2.58 0.13 0.00 -1.03 0.00 0.00 54.13 55.95 3hvu s LEU 42 Cb -0.16 -4.46 -0.20 0.00 0.03 0.00 0.00 46.19 41.41 3hvu s LEU 42 CO 0.10 -1.64 0.30 0.29 0.23 0.00 0.00 176.35 175.63 3hvu n LYS 43 N -1.38 0.59 0.11 1.70 5.02 -1.26 -4.76 118.16 118.18 3hvu n LYS 43 Ca 0.13 -0.11 0.09 0.00 -2.02 0.00 0.00 58.31 56.40 3hvu n LYS 43 Cb 0.47 -1.29 0.57 0.00 -0.02 0.00 0.00 35.03 34.76 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 2.40 0.24 2.00 0.72 0.00 -1.75 -2.93 103.07 103.75 3hvu h GLY 44 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3hvu h GLY 44 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.61 3hvu n ALA 45 N -2.53 1.91 0.12 3.60 0.00 -1.24 -4.35 120.51 118.02 3hvu n ALA 45 Ca 0.02 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 3hvu n ALA 45 Cb 0.18 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 3hvu n ALA 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3hvu h MET 46 N 0.00 -0.56 -0.62 0.00 -1.53 -1.81 0.14 114.93 110.55 3hvu h MET 46 Ca 0.00 0.04 0.01 0.00 -3.44 0.00 0.00 59.70 56.31 3hvu h MET 46 Cb 0.52 0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.67 3hvu h MET 46 CO 0.00 -0.37 0.41 -1.35 0.14 0.00 0.00 176.91 175.74 3hvu h PRO 47 N -0.58 0.82 -0.08 0.39 0.11 -1.84 -1.00 132.00 129.81 3hvu h PRO 47 Ca 0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3hvu h PRO 47 Cb 0.61 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 3hvu h PRO 47 CO -0.20 0.54 0.02 0.35 -0.21 0.00 0.00 178.00 178.50 3hvu h PHE 48 N 0.84 0.14 -0.92 0.65 3.57 -1.76 -2.53 116.94 116.94 3hvu h PHE 48 Ca 0.23 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.75 3hvu h PHE 48 Cb -0.09 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 3hvu h PHE 48 CO -0.03 0.32 0.60 1.98 -2.23 0.00 0.00 178.31 178.95 3hvu h MET 49 N -0.08 1.10 0.29 1.11 4.05 -0.57 0.20 114.93 121.02 3hvu h MET 49 Ca 0.03 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 3hvu h MET 49 Cb 0.25 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 3hvu h MET 49 CO 0.00 0.73 -0.14 0.00 0.23 0.00 0.00 176.91 177.73 3hvu h ALA 50 N 1.47 -0.39 -0.63 0.39 0.00 -1.11 -1.53 119.26 117.47 3hvu h ALA 50 Ca 0.37 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3hvu h ALA 50 Cb 0.05 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3hvu h ALA 50 CO -0.12 -0.67 0.06 -0.44 0.00 0.00 0.00 179.25 178.08 3hvu h ASP 51 N -0.47 1.04 0.21 0.00 3.32 -1.24 -2.44 116.42 116.84 3hvu h ASP 51 Ca -0.04 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 3hvu h ASP 51 Cb 0.36 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3hvu h ASP 51 CO 0.06 1.05 -0.10 0.25 -1.72 0.00 0.00 179.24 178.79 3hvu h LEU 52 N 0.99 -0.24 -1.45 1.55 5.85 -0.57 -3.03 115.31 118.41 3hvu h LEU 52 Ca 0.19 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3hvu h LEU 52 Cb 0.49 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3hvu h LEU 52 CO 0.02 0.03 0.05 -0.07 -0.34 0.00 0.00 178.44 178.14 3hvu h LEU 53 N -0.52 0.38 -1.91 2.25 3.38 -1.30 -1.48 115.31 116.10 3hvu h LEU 53 Ca -0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3hvu h LEU 53 Cb 0.39 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hvu h LEU 53 CO 0.05 0.40 -0.07 0.11 0.09 0.00 0.00 178.44 179.01 3hvu h LYS 54 N 0.41 0.00 -0.71 1.13 1.57 -1.44 -1.95 116.57 115.59 3hvu h LYS 54 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3hvu h LYS 54 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3hvu h LYS 54 CO -0.00 0.07 0.00 0.54 -0.57 0.00 0.00 179.45 179.49 3hvu n ARG 55 N -4.34 2.67 -3.62 3.15 5.12 -0.60 -4.75 116.66 114.30 3hvu n ARG 55 Ca -0.03 -2.60 -0.39 0.00 -1.93 0.00 0.00 57.85 52.90 3hvu n ARG 55 Cb 0.15 -1.56 -0.08 0.00 -1.16 0.00 0.00 32.46 29.81 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 -1.06 4.07 -1.41 0.55 2.01 -0.73 -3.70 115.64 115.36 3hvu s THR 56 Ca 0.48 -2.40 -0.14 0.00 0.31 0.00 0.00 61.69 59.94 3hvu s THR 56 Cb 0.25 -3.65 0.06 0.00 0.01 0.00 0.00 72.50 69.17 3hvu s THR 56 CO 0.33 -0.84 2.10 -0.67 -0.69 0.00 0.00 174.62 174.85 3hvu n ASP 57 N 4.15 4.19 -3.55 3.53 2.03 -1.26 -4.86 116.55 120.79 3hvu n ASP 57 Ca 0.02 -2.89 -0.11 0.00 0.52 0.00 0.00 54.79 52.33 3hvu n ASP 57 Cb 0.41 -1.65 -0.04 0.00 -0.72 0.00 0.00 41.12 39.12 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 2.92 0.04 0.07 5.18 -1.32 -1.26 -4.97 115.64 116.31 3hvu s THR 58 Ca 0.47 -0.33 -0.31 0.00 -1.21 0.00 0.00 61.69 60.31 3hvu s THR 58 Cb 0.12 -1.08 -0.07 0.00 -1.51 0.00 0.00 72.50 69.95 3hvu s THR 58 CO -0.05 -0.18 1.46 -0.31 -2.21 0.00 0.00 174.62 173.32 3hvu s TYR 59 N -3.63 2.94 0.19 9.09 2.02 -1.26 -4.98 117.35 121.72 3hvu s TYR 59 Ca 0.01 0.76 -0.19 0.00 -0.37 0.00 0.00 57.07 57.29 3hvu s TYR 59 Cb 0.01 -3.75 0.04 0.00 -0.40 0.00 0.00 41.96 37.86 3hvu s TYR 59 CO -0.11 -2.76 0.55 -0.48 -1.57 0.00 0.00 175.55 171.18 3hvu s LEU 60 N 1.83 -0.08 -0.05 -1.29 0.05 -1.26 -4.16 118.68 113.71 3hvu s LEU 60 Ca 0.66 -0.38 0.05 0.00 0.05 0.00 0.00 54.13 54.52 3hvu s LEU 60 Cb -0.36 2.29 -0.02 0.00 -2.05 0.00 0.00 46.19 46.05 3hvu s LEU 60 CO 0.29 -1.05 -0.19 -0.70 -0.55 0.00 0.00 176.35 174.15 3hvu s GLU 61 N -3.85 2.50 0.02 1.48 2.12 -0.55 -4.98 118.70 115.45 3hvu s GLU 61 Ca 0.07 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.61 3hvu s GLU 61 Cb -0.01 -2.27 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 3hvu s GLU 61 CO -0.05 0.52 0.08 -1.64 -0.54 0.00 0.00 175.26 173.63 3hvu s MET 62 N -0.48 3.01 0.25 4.30 -1.94 -1.26 -0.07 119.30 123.10 3hvu s MET 62 Ca 0.06 -0.55 -0.15 0.00 -1.71 0.00 0.00 55.69 53.33 3hvu s MET 62 Cb -0.12 -2.81 0.00 0.00 2.01 0.00 0.00 34.83 33.91 3hvu s MET 62 CO 0.01 0.62 0.55 0.34 -0.01 0.00 0.00 175.02 176.53 3hvu s ASP 63 N -1.93 -0.15 0.00 3.03 -1.08 -0.39 -4.92 116.67 111.23 3hvu s ASP 63 Ca 0.25 -0.80 -0.08 0.00 -0.52 0.00 0.00 52.55 51.39 3hvu s ASP 63 Cb -0.12 0.63 0.00 0.00 -1.46 0.00 0.00 42.92 41.97 3hvu s ASP 63 CO 0.16 -1.19 0.16 -0.36 0.52 0.00 0.00 175.17 174.46 3hvu s PHE 64 N -3.98 0.01 0.18 -5.34 0.08 -1.26 -2.00 117.98 105.67 3hvu s PHE 64 Ca 0.18 -0.08 0.09 0.00 0.12 0.00 0.00 56.93 57.24 3hvu s PHE 64 Cb -0.02 -0.03 -0.04 0.00 -0.57 0.00 0.00 43.02 42.36 3hvu s PHE 64 CO 0.08 -0.30 -0.20 -1.64 -0.10 0.00 0.00 175.22 173.05 3hvu s MET 65 N -1.38 1.36 -0.06 0.44 -1.94 -0.74 -4.41 119.30 112.57 3hvu s MET 65 Ca -0.15 -1.46 0.02 0.00 -1.71 0.00 0.00 55.69 52.40 3hvu s MET 65 Cb -0.07 -1.49 0.01 0.00 2.01 0.00 0.00 34.83 35.29 3hvu s MET 65 CO 0.02 0.31 -0.12 0.00 -0.01 0.00 0.00 175.02 175.22 3hvu s ALA 66 N -1.97 1.21 0.13 3.03 0.00 -0.90 -1.34 121.76 121.92 3hvu s ALA 66 Ca 0.18 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.74 3hvu s ALA 66 Cb -0.06 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3hvu s ALA 66 CO 0.08 0.13 -0.03 0.14 0.00 0.00 0.00 175.76 176.08 3hvu s VAL 67 N 0.56 0.66 0.05 0.00 -7.23 -1.26 0.21 120.40 113.38 3hvu s VAL 67 Ca -0.12 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.09 3hvu s VAL 67 Cb -0.14 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 3hvu s VAL 67 CO 0.03 -0.68 -0.03 -0.94 -0.31 0.00 0.00 175.10 173.17 3hvu s SER 68 N -3.10 0.46 0.39 4.85 1.04 -0.12 -4.87 113.70 112.35 3hvu s SER 68 Ca 0.18 -0.94 -0.24 0.00 0.48 0.00 0.00 55.95 55.43 3hvu s SER 68 Cb 0.06 0.19 -0.09 0.00 0.10 0.00 0.00 66.02 66.27 3hvu s SER 68 CO -0.01 -0.57 1.01 -0.55 0.98 0.00 0.00 173.24 174.11 3hvu s SER 69 N -2.75 6.89 0.00 7.02 0.15 -1.26 -0.41 113.70 123.34 3hvu s SER 69 Ca 0.04 1.94 0.23 0.00 0.70 0.00 0.00 55.95 58.86 3hvu s SER 69 Cb 0.06 -2.58 0.76 0.00 -1.71 0.00 0.00 66.02 62.55 3hvu s SER 69 CO -0.09 -0.40 1.56 -1.22 1.20 0.00 0.00 173.24 174.30 3hvu n TYR 70 N -0.06 0.18 0.00 3.44 4.01 -1.26 -4.80 117.16 118.67 3hvu n TYR 70 Ca 0.05 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3hvu n TYR 70 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 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 1.19 1.04 2.53 2.72 0.00 -1.26 -4.53 105.19 106.88 3hvu n GLY 71 Ca 0.17 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.28 3hvu n GLY 71 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3hvu n HIS 72 N 0.00 2.64 -1.30 1.61 -0.00 -1.26 -2.37 115.22 114.54 3hvu n HIS 72 Ca 0.00 -2.85 0.00 0.00 -0.00 0.00 0.00 57.72 54.87 3hvu n HIS 72 Cb 0.00 -1.94 0.00 0.00 -0.00 0.00 0.00 29.99 28.05 3hvu n HIS 72 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 3hvu n SER 73 N 2.33 0.00 -0.01 0.26 3.41 -1.26 -4.80 113.62 113.55 3hvu n SER 73 Ca 0.61 -0.52 0.10 0.00 -0.26 0.00 0.00 58.87 58.80 3hvu n SER 73 Cb 0.26 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.00 0.00 0.60 6.66 -1.04 -1.00 -4.24 114.28 115.26 3hvu n THR 74 Ca 0.00 -0.41 0.12 0.00 -2.04 0.00 0.00 64.05 61.72 3hvu n THR 74 Cb 0.13 0.15 0.27 0.00 -1.82 0.00 0.00 70.33 69.06 3hvu n THR 74 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3hvu n VAL 75 N -2.11 0.45 -3.19 12.58 0.24 -1.25 -2.62 118.33 122.43 3hvu n VAL 75 Ca -0.03 -0.28 -0.22 0.00 -2.04 0.00 0.00 64.34 61.78 3hvu n VAL 75 Cb 0.50 -0.31 -0.05 0.00 -1.47 0.00 0.00 33.84 32.50 3hvu n VAL 75 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3hvu n SER 76 N -2.17 1.13 0.00 -1.34 2.88 -1.26 -4.80 113.62 108.06 3hvu n SER 76 Ca 0.04 -2.98 0.00 0.00 -1.33 0.00 0.00 58.87 54.60 3hvu n SER 76 Cb 0.43 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 3hvu n SER 76 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3hvu n THR 77 N 0.73 0.00 0.00 2.46 5.66 -1.26 -4.92 114.28 116.94 3hvu n THR 77 Ca 0.24 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 3hvu n THR 77 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 3hvu n THR 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hvu n GLY 78 N 0.00 1.32 3.65 1.09 0.00 -1.08 -4.62 105.19 105.55 3hvu n GLY 78 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.00 1.62 -4.45 1.61 2.13 -1.26 -4.30 120.64 113.98 3hvu n GLU 79 Ca 0.00 0.57 -0.23 0.00 0.66 0.00 0.00 57.16 58.16 3hvu n GLU 79 Cb 0.00 -2.44 -0.10 0.00 0.27 0.00 0.00 31.44 29.17 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 4.62 2.08 -0.10 6.31 -7.23 -1.26 -4.09 120.40 120.73 3hvu s VAL 80 Ca 0.98 -2.26 -0.23 0.00 -1.81 0.00 0.00 61.98 58.66 3hvu s VAL 80 Cb -0.85 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 33.70 3hvu s VAL 80 CO 0.56 -0.37 0.70 -0.75 -0.31 0.00 0.00 175.10 174.93 3hvu s LYS 81 N -3.61 4.39 -0.33 4.82 2.20 0.45 -4.90 119.74 122.76 3hvu s LYS 81 Ca 0.29 0.85 -0.25 0.00 -0.36 0.00 0.00 55.97 56.50 3hvu s LYS 81 Cb -0.00 -3.48 0.01 0.00 -1.51 0.00 0.00 37.83 32.84 3hvu s LYS 81 CO 0.13 -0.03 0.86 0.42 -0.36 0.00 0.00 175.35 176.37 3hvu s ILE 82 N 1.12 4.70 -0.12 5.43 1.01 -1.26 -0.94 121.20 131.13 3hvu s ILE 82 Ca 0.36 1.21 0.11 0.00 0.00 0.00 0.00 60.65 62.34 3hvu s ILE 82 Cb -0.17 -4.24 -0.24 0.00 0.01 0.00 0.00 42.46 37.83 3hvu s ILE 82 CO 0.16 -0.37 0.35 0.18 0.00 0.00 0.00 174.94 175.26 3hvu n LEU 83 N 6.45 0.96 -3.65 2.97 4.77 0.13 -4.83 117.00 123.81 3hvu n LEU 83 Ca 0.05 0.20 -0.20 0.00 -0.03 0.00 0.00 56.01 56.04 3hvu n LEU 83 Cb 0.48 0.04 -0.17 0.00 -2.33 0.00 0.00 43.42 41.44 3hvu n LEU 83 CO 0.54 0.53 -0.30 -0.75 -1.33 0.00 0.00 177.39 176.08 3hvu s LYS 84 N -2.55 -0.00 0.78 3.23 2.20 -0.52 -4.91 119.74 117.97 3hvu s LYS 84 Ca -0.11 0.34 -0.07 0.00 -0.36 0.00 0.00 55.97 55.77 3hvu s LYS 84 Cb 0.07 -0.72 0.12 0.00 -1.51 0.00 0.00 37.83 35.80 3hvu s LYS 84 CO 0.80 -0.41 1.09 0.34 -0.36 0.00 0.00 175.35 176.82 3hvu s ASP 85 N 2.21 4.16 0.52 1.43 -1.08 -1.26 -2.12 116.67 120.54 3hvu s ASP 85 Ca 0.04 0.10 -0.21 0.00 -0.52 0.00 0.00 52.55 51.95 3hvu s ASP 85 Cb -0.13 -0.48 -0.06 0.00 -1.46 0.00 0.00 42.92 40.79 3hvu s ASP 85 CO -0.06 -2.01 1.23 -0.76 0.52 0.00 0.00 175.17 174.10 3hvu s LEU 86 N -5.39 3.87 0.09 -1.34 1.43 -1.26 -4.79 118.68 111.30 3hvu s LEU 86 Ca 0.66 2.47 0.27 0.00 -1.03 0.00 0.00 54.13 56.50 3hvu s LEU 86 Cb -0.07 -4.34 0.99 0.00 0.03 0.00 0.00 46.19 42.80 3hvu s LEU 86 CO 0.47 -1.29 1.82 -0.67 0.23 0.00 0.00 176.35 176.91 3hvu n ASP 87 N -0.93 0.39 -4.28 2.29 2.03 -1.26 -4.82 116.55 109.97 3hvu n ASP 87 Ca 0.10 0.48 -0.17 0.00 0.52 0.00 0.00 54.79 55.72 3hvu n ASP 87 Cb 0.47 -0.56 -0.10 0.00 -0.72 0.00 0.00 41.12 40.21 3hvu n ASP 87 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3hvu s THR 88 N -3.05 1.40 0.63 5.18 -1.32 -1.26 -5.14 115.64 112.08 3hvu s THR 88 Ca 0.12 -1.98 -0.16 0.00 -1.21 0.00 0.00 61.69 58.45 3hvu s THR 88 Cb 0.16 -1.79 -0.01 0.00 -1.51 0.00 0.00 72.50 69.34 3hvu s THR 88 CO 0.57 -0.58 1.13 -0.94 -2.21 0.00 0.00 174.62 172.59 3hvu s SER 89 N -2.96 5.19 -0.02 8.08 1.04 -1.26 -4.98 113.70 118.79 3hvu s SER 89 Ca 0.16 2.11 0.13 0.00 0.48 0.00 0.00 55.95 58.82 3hvu s SER 89 Cb -0.01 -2.57 -0.22 0.00 0.10 0.00 0.00 66.02 63.33 3hvu s SER 89 CO 0.03 -1.58 0.73 0.58 0.98 0.00 0.00 173.24 173.98 3hvu h VAL 90 N 0.36 0.87 -1.55 5.02 2.07 -1.96 -3.46 116.25 117.60 3hvu h VAL 90 Ca -0.48 -2.68 -0.73 0.00 0.82 0.00 0.00 66.70 63.64 3hvu h VAL 90 Cb 1.26 2.41 0.03 0.00 -1.52 0.00 0.00 31.29 33.46 3hvu h VAL 90 CO 0.54 0.49 0.73 1.21 0.02 0.00 0.00 177.57 180.57 3hvu n GLU 91 N -3.05 1.07 -0.93 1.57 2.13 -1.07 -1.22 120.64 119.15 3hvu n GLU 91 Ca -0.15 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.06 3hvu n GLU 91 Cb 1.02 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.68 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 3.59 0.89 3.91 8.31 0.00 -0.46 -4.92 105.19 116.51 3hvu n GLY 92 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.13 3.54 -0.39 1.61 1.81 -0.36 -4.37 118.95 120.66 3hvu s ARG 93 Ca 0.00 -0.27 -0.21 0.00 -1.72 0.00 0.00 55.73 53.53 3hvu s ARG 93 Cb 0.00 -2.89 0.01 0.00 -0.45 0.00 0.00 34.95 31.63 3hvu s ARG 93 CO 0.00 0.47 0.67 -0.51 -0.68 0.00 0.00 175.30 175.25 3hvu s ASP 94 N -2.76 6.40 -0.15 0.23 1.01 -1.26 0.93 116.67 121.07 3hvu s ASP 94 Ca 0.39 -0.03 -0.13 0.00 0.71 0.00 0.00 52.55 53.48 3hvu s ASP 94 Cb -0.12 -2.34 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 3hvu s ASP 94 CO 0.27 -0.70 0.29 -0.63 0.21 0.00 0.00 175.17 174.61 3hvu s ILE 95 N 2.84 5.30 -0.26 0.77 -1.09 0.08 -0.92 121.20 127.91 3hvu s ILE 95 Ca 0.25 0.54 0.03 0.00 -2.23 0.00 0.00 60.65 59.24 3hvu s ILE 95 Cb -0.14 -3.62 0.06 0.00 -1.58 0.00 0.00 42.46 37.18 3hvu s ILE 95 CO 0.17 0.41 -0.08 -0.22 -1.23 0.00 0.00 174.94 174.00 3hvu s LEU 96 N 0.29 3.38 -0.17 2.97 2.96 -0.29 -0.60 118.68 127.22 3hvu s LEU 96 Ca 0.17 -1.44 -0.23 0.00 -0.22 0.00 0.00 54.13 52.41 3hvu s LEU 96 Cb -0.13 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 3hvu s LEU 96 CO 0.04 -0.22 0.71 -0.63 -1.32 0.00 0.00 176.35 174.93 3hvu s ILE 97 N 1.15 4.97 -0.23 6.68 1.01 -0.03 -0.62 121.20 134.14 3hvu s ILE 97 Ca -0.06 1.39 -0.07 0.00 0.00 0.00 0.00 60.65 61.90 3hvu s ILE 97 Cb -0.20 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 3hvu s ILE 97 CO -0.06 0.10 0.06 -0.69 0.00 0.00 0.00 174.94 174.36 3hvu s VAL 98 N 1.83 4.41 0.13 2.92 1.01 0.47 -0.43 120.40 130.75 3hvu s VAL 98 Ca 0.33 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.21 3hvu s VAL 98 Cb -0.16 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3hvu s VAL 98 CO 0.12 0.37 -0.11 -0.70 0.00 0.00 0.00 175.10 174.78 3hvu s GLU 99 N 1.27 1.01 -0.08 2.72 2.56 -0.50 -4.10 118.70 121.57 3hvu s GLU 99 Ca 0.05 -1.35 -0.08 0.00 0.00 0.00 0.00 54.97 53.59 3hvu s GLU 99 Cb -0.15 -0.67 -0.28 0.00 2.00 0.00 0.00 34.13 35.03 3hvu s GLU 99 CO 0.03 0.10 0.52 0.38 -0.56 0.00 0.00 175.26 175.74 3hvu h ASP 100 N 3.09 0.51 -4.12 -1.70 2.03 -1.87 -2.40 116.42 111.95 3hvu h ASP 100 Ca -0.37 -0.92 -0.10 0.00 -0.73 0.00 0.00 57.03 54.90 3hvu h ASP 100 Cb 1.19 -0.16 -0.23 0.00 -0.83 0.00 0.00 39.33 39.30 3hvu h ASP 100 CO 0.59 1.81 -0.14 -0.51 -1.03 0.00 0.00 179.24 179.95 3hvu s ILE 101 N -2.57 0.01 -0.20 4.15 2.07 -1.26 -0.71 121.20 122.70 3hvu s ILE 101 Ca -0.19 -0.06 -0.01 0.00 -1.41 0.00 0.00 60.65 58.98 3hvu s ILE 101 Cb 0.06 -0.69 0.01 0.00 0.13 0.00 0.00 42.46 41.97 3hvu s ILE 101 CO 0.81 -0.03 -0.12 -0.63 -1.91 0.00 0.00 174.94 173.06 3hvu s ILE 102 N -0.05 2.73 0.00 2.00 1.01 -0.83 -4.99 121.20 121.06 3hvu s ILE 102 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3hvu s ILE 102 Cb -0.03 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.24 3hvu s ILE 102 CO 0.02 0.48 0.00 -0.67 0.00 0.00 0.00 174.94 174.77 3hvu n ASP 103 N 4.69 0.00 0.17 3.58 -0.08 -1.26 -1.69 116.55 121.95 3hvu n ASP 103 Ca -0.20 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.10 3hvu n ASP 103 Cb 0.50 0.00 0.29 0.00 2.34 0.00 0.00 41.12 44.26 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 -1.86 -2.72 113.55 115.28 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 0.46 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 3hvu n GLY 105 N -0.14 0.74 0.36 -0.77 0.00 -1.26 -0.91 105.19 103.21 3hvu n GLY 105 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.73 -0.80 0.99 3.38 -1.91 -1.09 115.31 115.15 3hvu h LEU 106 Ca 0.00 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3hvu h LEU 106 Cb 0.04 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hvu h LEU 106 CO 0.00 -0.38 -0.31 0.71 0.09 0.00 0.00 178.44 178.55 3hvu h THR 107 N -1.10 1.28 -0.52 0.22 1.35 -1.87 -1.83 112.91 110.44 3hvu h THR 107 Ca -0.09 -1.41 -0.11 0.00 -0.55 0.00 0.00 66.41 64.26 3hvu h THR 107 Cb 0.70 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.52 3hvu h THR 107 CO 0.14 0.45 -0.09 0.25 -0.25 0.00 0.00 175.52 176.02 3hvu h LEU 108 N 0.47 0.96 -0.81 3.87 5.85 -1.90 -1.22 115.31 122.52 3hvu h LEU 108 Ca 0.06 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 3hvu h LEU 108 Cb 0.78 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3hvu h LEU 108 CO 0.06 1.06 0.25 -1.28 -0.34 0.00 0.00 178.44 178.20 3hvu h SER 109 N 0.86 1.06 -0.56 1.25 0.87 -0.93 0.52 113.55 116.62 3hvu h SER 109 Ca 0.14 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3hvu h SER 109 Cb 0.64 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 3hvu h SER 109 CO 0.04 0.97 0.31 0.22 -0.53 0.00 0.00 176.83 177.84 3hvu h TYR 110 N 1.10 0.76 -0.35 2.24 3.20 -0.91 -2.22 116.97 120.79 3hvu h TYR 110 Ca 0.24 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.03 3hvu h TYR 110 Cb 0.27 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3hvu h TYR 110 CO 0.02 0.55 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.97 3hvu h LEU 111 N 0.75 0.65 -0.33 2.82 3.38 -0.68 -1.36 115.31 120.54 3hvu h LEU 111 Ca 0.20 -0.34 0.06 0.00 0.09 0.00 0.00 57.88 57.89 3hvu h LEU 111 Cb 0.03 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3hvu h LEU 111 CO -0.03 0.83 -0.01 0.58 0.09 0.00 0.00 178.44 179.90 3hvu h VAL 112 N 0.45 0.74 0.00 1.22 2.07 -0.74 0.04 116.25 120.02 3hvu h VAL 112 Ca 0.09 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3hvu h VAL 112 Cb 0.53 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3hvu h VAL 112 CO 0.03 0.01 -0.09 0.44 0.02 0.00 0.00 177.57 177.98 3hvu h ASP 113 N 0.08 0.00 -0.14 0.57 3.32 -1.33 -1.33 116.42 117.59 3hvu h ASP 113 Ca 0.16 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3hvu h ASP 113 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3hvu h ASP 113 CO -0.28 0.09 -0.05 0.25 -1.72 0.00 0.00 179.24 177.54 3hvu h LEU 114 N 0.00 0.29 -1.22 1.55 5.85 -0.38 -0.02 115.31 121.38 3hvu h LEU 114 Ca -0.00 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 3hvu h LEU 114 Cb 0.79 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3hvu h LEU 114 CO 0.01 0.61 -0.10 -0.26 -0.34 0.00 0.00 178.44 178.36 3hvu h PHE 115 N -0.03 0.44 -0.18 1.25 0.04 -0.54 -0.22 116.94 117.70 3hvu h PHE 115 Ca 0.04 -0.06 -0.13 0.00 2.80 0.00 0.00 57.97 60.61 3hvu h PHE 115 Cb 0.48 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 3hvu h PHE 115 CO 0.06 0.52 -0.46 0.87 -0.60 0.00 0.00 178.31 178.69 3hvu h LYS 116 N 0.39 0.45 -0.51 1.51 1.57 -1.13 -1.76 116.57 117.09 3hvu h LYS 116 Ca 0.08 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 3hvu h LYS 116 Cb 0.42 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3hvu h LYS 116 CO 0.02 0.82 0.14 -0.92 -0.57 0.00 0.00 179.45 178.95 3hvu h TYR 117 N 0.36 0.78 0.00 -1.35 3.20 -0.14 -1.22 116.97 118.61 3hvu h TYR 117 Ca 0.02 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3hvu h TYR 117 Cb 0.95 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.98 3hvu h TYR 117 CO 0.03 0.65 0.00 0.54 -1.64 0.00 0.00 178.16 177.74 3hvu n ARG 118 N -4.30 0.89 -2.41 1.82 1.74 -0.17 -4.87 116.66 109.37 3hvu n ARG 118 Ca 0.04 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.01 3hvu n ARG 118 Cb 0.21 -1.00 0.01 0.00 -1.02 0.00 0.00 32.46 30.65 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 -0.50 -1.60 -1.50 5.56 4.76 -0.46 -2.58 118.16 121.83 3hvu n LYS 119 Ca 0.00 0.47 -0.36 0.00 -2.87 0.00 0.00 58.31 55.55 3hvu n LYS 119 Cb 0.00 -4.45 0.08 0.00 -1.84 0.00 0.00 35.03 28.82 3hvu n LYS 119 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hvu n ALA 120 N -2.07 0.19 -0.02 7.82 0.00 -0.73 -1.36 120.51 124.35 3hvu n ALA 120 Ca -0.09 -0.10 -0.17 0.00 0.00 0.00 0.00 53.44 53.08 3hvu n ALA 120 Cb 0.58 -2.17 -0.08 0.00 0.00 0.00 0.00 19.45 17.78 3hvu n ALA 120 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hvu h LYS 121 N 0.08 0.68 -3.26 0.00 3.64 0.35 -3.43 116.57 114.63 3hvu h LYS 121 Ca -0.48 -0.57 -0.06 0.00 -1.27 0.00 0.00 60.65 58.26 3hvu h LYS 121 Cb 1.34 0.13 -0.14 0.00 -0.41 0.00 0.00 32.23 33.15 3hvu h LYS 121 CO 0.49 1.19 -0.07 -1.54 -2.27 0.00 0.00 179.45 177.24 3hvu s SER 122 N -6.96 -0.26 -0.04 4.20 1.04 -1.18 -4.96 113.70 105.54 3hvu s SER 122 Ca -0.11 -0.20 -0.02 0.00 0.48 0.00 0.00 55.95 56.10 3hvu s SER 122 Cb 0.07 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.68 3hvu s SER 122 CO 0.88 -0.79 0.05 -0.69 0.98 0.00 0.00 173.24 173.66 3hvu s VAL 123 N -3.37 -0.04 0.28 5.02 1.01 -1.26 -0.74 120.40 121.31 3hvu s VAL 123 Ca 0.00 0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.41 3hvu s VAL 123 Cb 0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 36.38 36.13 3hvu s VAL 123 CO -0.09 0.18 -0.04 -0.54 0.00 0.00 0.00 175.10 174.62 3hvu s LYS 124 N 2.03 1.53 -0.03 2.72 1.02 0.23 -4.99 119.74 122.26 3hvu s LYS 124 Ca 0.04 -1.79 0.01 0.00 0.02 0.00 0.00 55.97 54.25 3hvu s LYS 124 Cb -0.12 -1.05 0.02 0.00 -0.52 0.00 0.00 37.83 36.16 3hvu s LYS 124 CO -0.03 -0.01 -0.04 0.42 -0.92 0.00 0.00 175.35 174.77 3hvu s ILE 125 N -3.10 0.43 -0.16 2.17 1.01 -1.26 -0.85 121.20 119.44 3hvu s ILE 125 Ca 0.30 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.88 3hvu s ILE 125 Cb 0.05 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 42.07 3hvu s ILE 125 CO 0.12 0.19 -0.20 0.54 0.00 0.00 0.00 174.94 175.59 3hvu s VAL 126 N 0.78 2.16 -0.01 2.92 0.11 0.43 -1.05 120.40 125.75 3hvu s VAL 126 Ca -0.10 -0.93 0.06 0.00 -2.93 0.00 0.00 61.98 58.09 3hvu s VAL 126 Cb -0.13 -1.89 -0.02 0.00 -1.53 0.00 0.00 36.38 32.82 3hvu s VAL 126 CO -0.00 0.54 -0.20 0.28 -3.33 0.00 0.00 175.10 172.38 3hvu s THR 127 N 1.01 1.59 0.07 5.04 -1.32 -0.01 -1.42 115.64 120.61 3hvu s THR 127 Ca -0.02 -0.89 -0.18 0.00 -1.21 0.00 0.00 61.69 59.39 3hvu s THR 127 Cb -0.15 -1.33 -0.11 0.00 -1.51 0.00 0.00 72.50 69.41 3hvu s THR 127 CO -0.06 0.42 1.41 0.25 -2.21 0.00 0.00 174.62 174.43 3hvu h LEU 128 N 5.56 0.56 -8.65 9.08 5.85 -1.44 -0.66 115.31 125.60 3hvu h LEU 128 Ca -0.39 -0.45 -0.62 0.00 0.84 0.00 0.00 57.88 57.26 3hvu h LEU 128 Cb 1.14 -0.16 -0.25 0.00 0.37 0.00 0.00 40.66 41.77 3hvu h LEU 128 CO 0.47 0.89 -0.85 -0.76 -0.34 0.00 0.00 178.44 177.85 3hvu s LEU 129 N -9.11 2.21 -0.05 2.25 1.43 0.12 0.37 118.68 115.90 3hvu s LEU 129 Ca -0.13 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 3hvu s LEU 129 Cb 0.07 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.26 3hvu s LEU 129 CO 0.79 0.17 -0.03 -0.62 0.23 0.00 0.00 176.35 176.88 3hvu s ASP 130 N -1.42 1.10 -0.74 2.29 2.15 0.34 -1.97 116.67 118.43 3hvu s ASP 130 Ca 0.09 -0.11 0.04 0.00 0.43 0.00 0.00 52.55 53.00 3hvu s ASP 130 Cb -0.09 -0.44 0.19 0.00 -0.30 0.00 0.00 42.92 42.28 3hvu s ASP 130 CO 0.03 -0.10 0.58 1.17 -0.17 0.00 0.00 175.17 176.68 3hvu n LYS 131 N 4.37 2.07 0.24 4.34 4.81 -0.68 0.47 118.16 133.78 3hvu n LYS 131 Ca -0.20 -4.52 0.14 0.00 -0.87 0.00 0.00 58.31 52.87 3hvu n LYS 131 Cb 0.51 -2.31 0.80 0.00 0.02 0.00 0.00 35.03 34.05 3hvu n LYS 131 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3hvu h PRO 132 N 5.35 0.00 0.00 1.64 0.13 -1.81 -2.24 132.00 135.07 3hvu h PRO 132 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3hvu h PRO 132 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3hvu h PRO 132 CO 0.76 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.32 3hvu h THR 133 N 0.00 0.00 -0.01 1.56 1.35 -1.90 -2.90 112.91 111.00 3hvu h THR 133 Ca 0.04 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3hvu h THR 133 Cb 0.20 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3hvu h THR 133 CO -0.00 0.00 -0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3hvu n GLY 134 N -0.31 -0.09 3.72 5.82 0.00 -0.84 -4.97 105.19 108.52 3hvu n GLY 134 Ca 0.01 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 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 0.07 2.59 0.00 1.61 5.12 -1.02 -3.60 116.66 121.42 3hvu n ARG 135 Ca 0.19 0.92 0.05 0.00 -1.93 0.00 0.00 57.85 57.09 3hvu n ARG 135 Cb 0.34 -2.71 -0.06 0.00 -1.16 0.00 0.00 32.46 28.87 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 2.68 3.22 -3.87 5.56 4.01 -0.09 -4.97 118.16 124.71 3hvu n LYS 136 Ca 0.11 -0.01 -0.10 0.00 -0.51 0.00 0.00 58.31 57.80 3hvu n LYS 136 Cb 0.35 -1.04 -0.09 0.00 -0.51 0.00 0.00 35.03 33.74 3hvu n LYS 136 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3hvu s VAL 137 N -2.06 0.11 -0.05 -0.18 0.11 -1.20 -5.03 120.40 112.10 3hvu s VAL 137 Ca 0.04 -0.94 -0.30 0.00 -2.93 0.00 0.00 61.98 57.86 3hvu s VAL 137 Cb 0.09 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 3hvu s VAL 137 CO 0.46 -0.52 1.22 -1.81 -3.33 0.00 0.00 175.10 171.13 3hvu s ASP 138 N -2.04 7.03 -0.30 3.54 -0.00 -1.26 -4.83 116.67 118.82 3hvu s ASP 138 Ca -0.06 1.83 -0.08 0.00 -0.00 0.00 0.00 52.55 54.24 3hvu s ASP 138 Cb -0.02 -2.56 0.18 0.00 -0.00 0.00 0.00 42.92 40.52 3hvu s ASP 138 CO -0.04 -0.60 0.82 -0.22 -0.00 0.00 0.00 175.17 175.14 3hvu s LEU 139 N 2.26 -0.92 -0.12 1.23 2.96 -1.26 -5.05 118.68 117.78 3hvu s LEU 139 Ca 0.56 0.74 -0.01 0.00 -0.22 0.00 0.00 54.13 55.21 3hvu s LEU 139 Cb -0.25 1.84 -0.02 0.00 0.50 0.00 0.00 46.19 48.25 3hvu s LEU 139 CO 0.22 -0.17 -0.09 -1.59 -1.32 0.00 0.00 176.35 173.40 3hvu s LYS 140 N 2.83 3.27 0.54 1.98 -2.85 -1.26 -5.02 119.74 119.23 3hvu s LYS 140 Ca 0.07 -0.61 -0.19 0.00 -1.00 0.00 0.00 55.97 54.23 3hvu s LYS 140 Cb -0.12 -2.68 -0.06 0.00 -2.06 0.00 0.00 37.83 32.91 3hvu s LYS 140 CO -0.17 0.35 1.13 0.00 0.10 0.00 0.00 175.35 176.76 3hvu s ALA 141 N 0.03 2.70 0.03 0.59 0.00 -1.26 -4.92 121.76 118.92 3hvu s ALA 141 Ca -0.02 0.83 0.10 0.00 0.00 0.00 0.00 51.96 52.87 3hvu s ALA 141 Cb -0.14 -3.36 -0.16 0.00 0.00 0.00 0.00 23.12 19.45 3hvu s ALA 141 CO 0.04 -0.77 1.16 -0.44 0.00 0.00 0.00 175.76 175.74 3hvu h ASP 142 N 1.21 0.00 -3.48 0.00 3.32 -1.48 -3.45 116.42 112.54 3hvu h ASP 142 Ca -0.50 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.17 3hvu h ASP 142 Cb 1.26 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.47 3hvu h ASP 142 CO 0.57 0.89 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.91 3hvu s TYR 143 N -2.74 0.56 -0.06 4.55 2.02 -0.67 -5.01 117.35 115.98 3hvu s TYR 143 Ca 0.00 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 3hvu s TYR 143 Cb 0.09 -0.55 0.02 0.00 -0.40 0.00 0.00 41.96 41.12 3hvu s TYR 143 CO 0.81 -0.16 -0.08 0.08 -1.57 0.00 0.00 175.55 174.62 3hvu s VAL 144 N 0.96 0.86 -0.05 0.71 1.01 -1.26 -0.83 120.40 121.80 3hvu s VAL 144 Ca -0.11 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 3hvu s VAL 144 Cb -0.14 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3hvu s VAL 144 CO -0.01 0.30 0.38 1.23 0.00 0.00 0.00 175.10 177.01 3hvu h GLY 145 N 7.27 -0.30 -5.65 4.51 0.00 -0.78 -3.48 103.07 104.63 3hvu h GLY 145 Ca -0.33 0.11 -0.29 0.00 0.00 0.00 0.00 47.33 46.82 3hvu h GLY 145 CO 0.45 -0.11 -0.74 -1.36 0.00 0.00 0.00 176.54 174.78 3hvu s PHE 146 N -2.49 0.25 -0.23 5.60 0.08 0.16 -5.01 117.98 116.34 3hvu s PHE 146 Ca -0.04 -0.03 -0.16 0.00 0.12 0.00 0.00 56.93 56.81 3hvu s PHE 146 Cb 0.00 -0.20 -0.04 0.00 -0.57 0.00 0.00 43.02 42.21 3hvu s PHE 146 CO 0.13 -0.03 0.41 0.99 -0.10 0.00 0.00 175.22 176.62 3hvu s THR 147 N 0.16 5.17 0.19 0.64 2.01 -1.26 -0.50 115.64 122.05 3hvu s THR 147 Ca -0.01 0.70 0.08 0.00 0.31 0.00 0.00 61.69 62.77 3hvu s THR 147 Cb -0.04 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 3hvu s THR 147 CO -0.00 0.20 -0.01 0.68 -0.69 0.00 0.00 174.62 174.80 3hvu s VAL 148 N 1.66 3.65 0.00 3.82 -7.23 0.18 -4.90 120.40 117.58 3hvu s VAL 148 Ca 0.18 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 3hvu s VAL 148 Cb -0.15 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.94 3hvu s VAL 148 CO 0.09 -0.15 0.00 -0.81 -0.31 0.00 0.00 175.10 173.92 3hvu n PRO 149 N -0.23 3.32 -2.68 4.82 -0.04 -1.26 -4.42 135.00 134.51 3hvu n PRO 149 Ca -0.09 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.94 3hvu n PRO 149 Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.02 3hvu n PRO 149 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3hvu n HIS 150 N 0.00 3.11 -4.71 0.54 1.44 -1.26 -4.95 115.22 109.39 3hvu n HIS 150 Ca 0.00 -2.86 -0.30 0.00 -2.01 0.00 0.00 57.72 52.55 3hvu n HIS 150 Cb 0.00 -1.74 -0.14 0.00 0.12 0.00 0.00 29.99 28.23 3hvu n HIS 150 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3hvu s GLU 151 N -0.59 1.75 -0.58 -1.40 0.41 -1.26 -5.08 118.70 111.95 3hvu s GLU 151 Ca 0.37 -1.15 -0.25 0.00 -0.41 0.00 0.00 54.97 53.53 3hvu s GLU 151 Cb 0.05 -2.01 0.04 0.00 -1.78 0.00 0.00 34.13 30.44 3hvu s GLU 151 CO 0.03 0.50 1.00 0.12 -0.49 0.00 0.00 175.26 176.42 3hvu s PHE 152 N -0.91 2.72 0.10 1.61 5.36 -1.26 -5.01 117.98 120.59 3hvu s PHE 152 Ca 0.13 -0.04 0.05 0.00 -0.96 0.00 0.00 56.93 56.11 3hvu s PHE 152 Cb -0.10 -4.19 -0.04 0.00 -0.34 0.00 0.00 43.02 38.35 3hvu s PHE 152 CO 0.04 -1.47 -0.00 0.14 -1.46 0.00 0.00 175.22 172.47 3hvu s VAL 153 N 4.20 3.98 0.17 3.12 -7.23 -1.26 -2.10 120.40 121.28 3hvu s VAL 153 Ca 0.31 -1.03 -0.03 0.00 -1.81 0.00 0.00 61.98 59.43 3hvu s VAL 153 Cb -0.12 -2.90 -0.03 0.00 0.56 0.00 0.00 36.38 33.88 3hvu s VAL 153 CO 0.18 0.10 0.14 0.68 -0.31 0.00 0.00 175.10 175.90 3hvu s VAL 154 N -1.33 0.05 0.00 1.32 -7.23 -0.43 -4.67 120.40 108.11 3hvu s VAL 154 Ca 0.26 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 3hvu s VAL 154 Cb -0.12 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.60 3hvu s VAL 154 CO 0.18 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 3hvu n GLY 155 N -0.20 1.76 4.10 2.32 0.00 0.47 -0.56 105.19 113.07 3hvu n GLY 155 Ca -0.02 -1.84 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 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 1.61 -1.49 0.00 1.61 9.36 -0.01 -0.70 117.16 127.54 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 -3.35 0.00 0.00 -0.63 0.00 0.00 39.34 35.36 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 -2.23 2.26 3.72 2.98 0.00 -0.33 -4.56 105.19 107.03 3hvu n GLY 157 Ca -0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 4.37 0.35 0.99 1.43 0.12 -4.31 118.68 121.63 3hvu s LEU 158 Ca 0.00 1.51 0.09 0.00 -1.03 0.00 0.00 54.13 54.70 3hvu s LEU 158 Cb 0.00 -3.39 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 3hvu s LEU 158 CO 0.00 -0.18 0.03 1.51 0.23 0.00 0.00 176.35 177.95 3hvu s ASP 159 N 0.77 4.22 -0.17 2.29 -4.77 -1.26 -0.40 116.67 117.35 3hvu s ASP 159 Ca 0.46 -0.99 -0.02 0.00 -3.30 0.00 0.00 52.55 48.70 3hvu s ASP 159 Cb -0.20 -0.54 0.05 0.00 -1.09 0.00 0.00 42.92 41.14 3hvu s ASP 159 CO 0.25 -0.27 0.00 -0.47 0.70 0.00 0.00 175.17 175.38 3hvu s TYR 160 N -2.52 1.22 -1.50 2.11 5.04 -0.68 -4.80 117.35 116.22 3hvu s TYR 160 Ca 0.35 -0.86 -0.10 0.00 -2.44 0.00 0.00 57.07 54.02 3hvu s TYR 160 Cb 0.00 -1.10 0.07 0.00 0.35 0.00 0.00 41.96 41.29 3hvu s TYR 160 CO 0.20 -0.58 0.83 1.63 -1.34 0.00 0.00 175.55 176.29 3hvu n LYS 161 N 5.00 -4.77 -0.86 4.97 5.02 -1.26 -1.80 118.16 124.46 3hvu n LYS 161 Ca -0.09 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 3hvu n LYS 161 Cb 0.47 -5.25 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 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 -4.52 -0.33 -3.49 1.97 -0.58 -1.26 -5.00 120.64 107.43 3hvu n GLU 162 Ca -0.07 0.08 -0.21 0.00 -0.42 0.00 0.00 57.16 56.55 3hvu n GLU 162 Cb 0.57 -3.57 -0.01 0.00 -0.57 0.00 0.00 31.44 27.86 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 -0.61 2.50 0.00 3.49 -0.21 -0.75 -4.64 119.66 119.45 3hvu s GLN 163 Ca 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 55.36 53.79 3hvu s GLN 163 Cb 0.00 -2.41 0.00 0.00 1.00 0.00 0.00 33.01 31.60 3hvu s GLN 163 CO 0.00 -0.34 0.00 0.66 -2.12 0.00 0.00 175.29 173.49 3hvu n TYR 164 N -1.69 0.00 0.30 0.91 4.01 -1.26 -1.69 117.16 117.74 3hvu n TYR 164 Ca 0.05 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.97 3hvu n TYR 164 Cb 0.62 -0.36 0.94 0.00 -0.31 0.00 0.00 39.34 40.22 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 1.83 0.00 -0.01 -0.72 3.08 -1.82 -2.14 114.38 114.60 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 0.03 -0.07 0.27 -1.07 0.00 0.00 179.97 179.13 3hvu n ASN 166 N -3.27 0.67 -4.77 7.04 6.94 -1.26 -1.19 115.26 119.42 3hvu n ASN 166 Ca -0.02 -0.91 -0.40 0.00 -0.02 0.00 0.00 54.58 53.23 3hvu n ASN 166 Cb 0.18 -0.02 -0.00 0.00 -2.36 0.00 0.00 39.78 37.57 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 -2.26 4.26 0.00 -4.53 1.43 -0.81 -4.81 118.68 111.96 3hvu s LEU 167 Ca 0.35 2.89 0.12 0.00 -1.03 0.00 0.00 54.13 56.45 3hvu s LEU 167 Cb 0.21 -3.78 0.53 0.00 0.03 0.00 0.00 46.19 43.18 3hvu s LEU 167 CO 0.42 -0.89 1.37 -0.81 0.23 0.00 0.00 176.35 176.66 3hvu n PRO 168 N 0.28 1.32 -4.21 1.29 -0.04 -1.26 -0.83 135.00 131.55 3hvu n PRO 168 Ca 0.02 -0.48 -0.14 0.00 -0.04 0.00 0.00 63.50 62.86 3hvu n PRO 168 Cb 0.41 -1.22 -0.09 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.86 1.26 -0.25 0.54 -0.85 -1.26 -3.95 117.35 110.98 3hvu s TYR 169 Ca 0.19 -1.42 -0.08 0.00 -0.52 0.00 0.00 57.07 55.25 3hvu s TYR 169 Cb 0.10 -0.56 -0.03 0.00 0.38 0.00 0.00 41.96 41.84 3hvu s TYR 169 CO 0.15 -0.71 0.08 0.08 -1.52 0.00 0.00 175.55 173.63 3hvu s VAL 170 N -3.99 4.41 0.31 -3.49 1.01 -0.56 -3.12 120.40 114.97 3hvu s VAL 170 Ca 0.39 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.31 3hvu s VAL 170 Cb 0.06 -3.06 -0.06 0.00 0.00 0.00 0.00 36.38 33.31 3hvu s VAL 170 CO 0.15 0.33 -0.07 -0.83 0.00 0.00 0.00 175.10 174.69 3hvu s GLY 171 N 1.60 2.02 -0.23 4.51 0.00 0.28 -0.20 107.32 115.29 3hvu s GLY 171 Ca 0.06 -2.00 -0.12 0.00 0.00 0.00 0.00 44.72 42.66 3hvu s GLY 171 CO 0.04 -1.93 0.23 0.14 0.00 0.00 0.00 173.10 171.58 3hvu s VAL 172 N -2.83 5.31 0.17 1.40 1.01 0.39 -1.31 120.40 124.55 3hvu s VAL 172 Ca 0.31 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 3hvu s VAL 172 Cb 0.03 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 3hvu s VAL 172 CO 0.14 0.32 1.09 -0.22 0.00 0.00 0.00 175.10 176.43 3hvu s LEU 173 N 1.12 4.49 0.31 3.92 2.96 -0.89 -0.61 118.68 129.97 3hvu s LEU 173 Ca 0.11 2.07 -0.29 0.00 -0.22 0.00 0.00 54.13 55.79 3hvu s LEU 173 Cb -0.14 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.84 3hvu s LEU 173 CO 0.05 -0.21 1.52 -0.54 -1.32 0.00 0.00 176.35 175.86 3hvu s LYS 174 N -0.34 4.16 0.32 1.98 1.02 -0.47 -4.68 119.74 121.73 3hvu s LYS 174 Ca 0.49 2.51 0.09 0.00 0.02 0.00 0.00 55.97 59.08 3hvu s LYS 174 Cb -0.29 -3.03 0.89 0.00 -0.52 0.00 0.00 37.83 34.88 3hvu s LYS 174 CO 0.34 -0.55 1.71 -1.35 -0.92 0.00 0.00 175.35 174.59 3hvu h PRO 175 N 4.36 0.50 -0.84 -1.68 0.11 -1.94 -1.93 132.00 130.59 3hvu h PRO 175 Ca -0.48 -0.03 0.17 0.00 0.11 0.00 0.00 66.00 65.77 3hvu h PRO 175 Cb 1.22 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 3hvu h PRO 175 CO 0.75 0.33 0.55 1.03 -0.21 0.00 0.00 178.00 180.45 3hvu h SER 176 N 0.52 0.46 -0.12 -2.05 0.87 -1.91 -1.76 113.55 109.55 3hvu h SER 176 Ca 0.64 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 61.14 3hvu h SER 176 Cb 1.26 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 3hvu h SER 176 CO -0.50 0.22 -0.21 0.58 -0.53 0.00 0.00 176.83 176.38 3hvu h VAL 177 N 0.48 1.26 -0.26 2.23 2.07 -1.71 -3.29 116.25 117.02 3hvu h VAL 177 Ca 0.42 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3hvu h VAL 177 Cb 0.93 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3hvu h VAL 177 CO -0.16 0.39 0.00 0.00 0.02 0.00 0.00 177.57 177.82 3hvu n TYR 178 N -4.14 0.34 -1.82 1.57 4.11 -0.94 -5.13 117.16 111.16 3hvu n TYR 178 Ca 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 57.90 57.49 3hvu n TYR 178 Cb 0.39 -0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.70 3hvu n TYR 178 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73