#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vi8 s LEU 1 N 0.00 3.52 -0.19 2.46 2.96 -1.26 -3.14 118.68 123.04 1vi8 s LEU 1 Ca 0.00 -0.49 0.18 0.00 -0.22 0.00 0.00 54.13 53.61 1vi8 s LEU 1 Cb 0.00 -1.87 -0.26 0.00 0.50 0.00 0.00 46.19 44.57 1vi8 s LEU 1 CO 0.00 -0.11 0.11 2.30 -1.32 0.00 0.00 176.35 177.33 1vi8 n ILE 2 N 4.87 1.30 -1.64 6.68 -5.35 -0.88 -4.98 119.36 119.36 1vi8 n ILE 2 Ca -0.16 -0.83 -0.45 0.00 -0.27 0.00 0.00 62.75 61.04 1vi8 n ILE 2 Cb 0.50 -0.44 -0.02 0.00 -1.74 0.00 0.00 39.64 37.94 1vi8 n ILE 2 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1vi8 n TRP 3 N -2.72 1.76 -0.03 4.28 5.03 -1.26 -4.74 117.44 119.76 1vi8 n TRP 3 Ca -0.31 0.60 -0.00 0.00 3.03 0.00 0.00 57.50 60.82 1vi8 n TRP 3 Cb 1.12 -2.35 -0.09 0.00 -1.03 0.00 0.00 31.31 28.96 1vi8 n TRP 3 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1vi8 n LYS 4 N 1.09 1.34 -4.11 -0.99 4.76 0.22 -4.96 118.16 115.52 1vi8 n LYS 4 Ca 0.09 -0.05 -0.23 0.00 -2.87 0.00 0.00 58.31 55.25 1vi8 n LYS 4 Cb 0.32 -1.30 -0.06 0.00 -1.84 0.00 0.00 35.03 32.15 1vi8 n LYS 4 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1vi8 s ARG 5 N -2.54 2.45 -0.07 1.97 0.52 -0.85 -4.94 118.95 115.49 1vi8 s ARG 5 Ca -0.05 -1.44 0.01 0.00 -0.52 0.00 0.00 55.73 53.73 1vi8 s ARG 5 Cb 0.05 -2.25 -0.03 0.00 0.52 0.00 0.00 34.95 33.25 1vi8 s ARG 5 CO 0.50 0.19 -0.09 0.15 0.02 0.00 0.00 175.30 176.07 1vi8 s LYS 6 N -3.83 2.72 0.20 3.54 3.01 -1.26 -4.98 119.74 119.14 1vi8 s LYS 6 Ca 0.36 -0.60 -0.22 0.00 -1.01 0.00 0.00 55.97 54.50 1vi8 s LYS 6 Cb -0.04 -2.54 0.05 0.00 -1.01 0.00 0.00 37.83 34.29 1vi8 s LYS 6 CO 0.23 0.63 0.64 -1.50 0.51 0.00 0.00 175.35 175.86 1vi8 s ILE 7 N -0.72 0.00 0.11 2.17 2.07 -1.26 -5.17 121.20 118.41 1vi8 s ILE 7 Ca 0.11 -0.33 0.09 0.00 -1.41 0.00 0.00 60.65 59.10 1vi8 s ILE 7 Cb -0.11 -1.34 -0.04 0.00 0.13 0.00 0.00 42.46 41.11 1vi8 s ILE 7 CO 0.01 0.00 -0.22 0.42 -1.91 0.00 0.00 174.94 173.25 1vi8 s THR 8 N -3.80 1.82 0.46 4.00 -4.23 -1.26 -5.01 115.64 107.62 1vi8 s THR 8 Ca 0.04 -1.61 0.29 0.00 -1.18 0.00 0.00 61.69 59.23 1vi8 s THR 8 Cb -0.03 -1.66 0.49 0.00 1.34 0.00 0.00 72.50 72.65 1vi8 s THR 8 CO -0.06 -0.05 1.72 -0.07 -0.54 0.00 0.00 174.62 175.61 1vi8 h LEU 9 N 3.97 0.24 0.20 4.79 3.38 -1.97 0.27 115.31 126.19 1vi8 h LEU 9 Ca -0.47 0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.59 1vi8 h LEU 9 Cb 1.18 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1vi8 h LEU 9 CO 0.40 -0.03 -0.29 -0.33 0.09 0.00 0.00 178.44 178.29 1vi8 h GLU 10 N 0.17 -0.53 -0.32 1.13 4.39 -1.98 -1.40 114.58 116.04 1vi8 h GLU 10 Ca 0.68 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.41 1vi8 h GLU 10 Cb 2.21 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.96 1vi8 h GLU 10 CO -0.24 -0.35 0.14 0.00 -1.16 0.00 0.00 179.01 177.40 1vi8 h ALA 11 N 0.09 0.41 0.06 3.43 0.00 -0.90 -2.81 119.26 119.54 1vi8 h ALA 11 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1vi8 h ALA 11 Cb 0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1vi8 h ALA 11 CO -0.11 -0.02 -0.13 -0.07 0.00 0.00 0.00 179.25 178.91 1vi8 h LEU 12 N 0.37 -0.39 -1.62 0.00 3.38 -1.19 -1.60 115.31 114.25 1vi8 h LEU 12 Ca 0.11 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.21 1vi8 h LEU 12 Cb 0.14 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1vi8 h LEU 12 CO -0.01 -0.15 0.59 0.78 0.09 0.00 0.00 178.44 179.73 1vi8 h ASN 13 N -0.21 0.00 0.05 -0.43 2.35 -1.32 0.83 115.58 116.86 1vi8 h ASN 13 Ca -0.01 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1vi8 h ASN 13 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1vi8 h ASN 13 CO -0.05 0.00 -0.38 0.00 -1.65 0.00 0.00 177.43 175.35 1vi8 h ALA 14 N 1.13 0.98 -0.80 -0.83 0.00 -1.02 -3.19 119.26 115.53 1vi8 h ALA 14 Ca 0.15 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.74 1vi8 h ALA 14 Cb 1.32 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1vi8 h ALA 14 CO -0.00 0.61 0.45 0.52 0.00 0.00 0.00 179.25 180.84 1vi8 h MET 15 N 0.37 0.75 0.00 0.00 2.86 0.97 -2.77 114.93 117.10 1vi8 h MET 15 Ca 0.04 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1vi8 h MET 15 Cb 0.83 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1vi8 h MET 15 CO 0.07 0.50 0.00 0.41 1.06 0.00 0.00 176.91 178.94 1vi8 n GLY 16 N -1.32 -1.18 3.68 8.32 0.00 -1.21 -4.77 105.19 108.72 1vi8 n GLY 16 Ca 0.13 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1vi8 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vi8 s GLU 17 N -3.34 4.26 0.00 1.61 2.02 -1.05 0.26 118.70 122.46 1vi8 s GLU 17 Ca 0.03 2.00 0.00 0.00 0.02 0.00 0.00 54.97 57.02 1vi8 s GLU 17 Cb 0.09 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.67 1vi8 s GLU 17 CO 0.35 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.40 1vi8 n GLY 18 N 3.73 0.12 3.27 -1.39 0.00 -1.26 -4.96 105.19 104.69 1vi8 n GLY 18 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1vi8 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vi8 s ASN 19 N -2.12 1.19 0.22 1.61 2.20 -1.13 -5.03 114.94 111.88 1vi8 s ASN 19 Ca 0.00 -1.62 -0.09 0.00 -0.94 0.00 0.00 52.86 50.21 1vi8 s ASN 19 Cb 0.00 0.48 0.33 0.00 -2.00 0.00 0.00 41.25 40.06 1vi8 s ASN 19 CO 0.00 -0.97 1.27 0.80 -2.94 0.00 0.00 177.10 175.26 1vi8 n MET 20 N -0.51 -0.10 -0.30 3.55 0.00 -1.26 0.67 117.12 119.17 1vi8 n MET 20 Ca 0.05 1.27 0.12 0.00 -0.00 0.00 0.00 57.70 59.14 1vi8 n MET 20 Cb 0.64 -1.89 0.28 0.00 0.00 0.00 0.00 33.22 32.25 1vi8 n MET 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1vi8 h VAL 21 N 0.00 0.45 0.66 1.12 2.07 -1.95 -2.45 116.25 116.15 1vi8 h VAL 21 Ca 0.36 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.73 1vi8 h VAL 21 Cb 0.57 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1vi8 h VAL 21 CO -0.83 0.06 -0.32 1.23 0.02 0.00 0.00 177.57 177.73 1vi8 h GLY 22 N 0.34 -0.93 -0.90 2.17 0.00 0.48 -3.05 103.07 101.18 1vi8 h GLY 22 Ca 0.54 0.34 0.00 0.00 0.00 0.00 0.00 47.33 48.21 1vi8 h GLY 22 CO -0.55 -0.34 0.00 1.97 0.00 0.00 0.00 176.54 177.62 1vi8 n PHE 23 N -4.79 0.00 -0.07 5.60 -0.00 -0.93 -0.03 117.46 117.24 1vi8 n PHE 23 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.34 1vi8 n PHE 23 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.83 1vi8 n PHE 23 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1vi8 n LEU 24 N 0.39 0.03 -3.17 5.98 4.77 -1.15 -5.04 117.00 118.81 1vi8 n LEU 24 Ca 0.00 -0.17 -0.16 0.00 -0.03 0.00 0.00 56.01 55.64 1vi8 n LEU 24 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1vi8 n LEU 24 CO 0.00 0.01 0.12 -0.67 -1.33 0.00 0.00 177.39 175.52 1vi8 n ASP 25 N -0.29 -2.75 -4.52 -1.43 -0.08 0.96 -4.40 116.55 104.04 1vi8 n ASP 25 Ca 0.00 -0.54 -0.43 0.00 -1.51 0.00 0.00 54.79 52.31 1vi8 n ASP 25 Cb 0.02 -4.59 -0.07 0.00 2.34 0.00 0.00 41.12 38.82 1vi8 n ASP 25 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1vi8 s ILE 26 N -3.31 4.83 -0.11 5.18 1.01 -1.17 -4.47 121.20 123.16 1vi8 s ILE 26 Ca 0.10 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.92 1vi8 s ILE 26 Cb -0.04 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1vi8 s ILE 26 CO 0.65 -0.58 -0.23 0.00 0.00 0.00 0.00 174.94 174.78 1vi8 s ARG 27 N 2.80 3.00 0.72 2.79 1.70 -1.11 -4.92 118.95 123.93 1vi8 s ARG 27 Ca 0.23 -0.86 -0.12 0.00 -0.47 0.00 0.00 55.73 54.51 1vi8 s ARG 27 Cb -0.14 -2.32 0.03 0.00 -0.57 0.00 0.00 34.95 31.95 1vi8 s ARG 27 CO 0.19 0.11 1.09 -0.06 -1.08 0.00 0.00 175.30 175.55 1vi8 s PHE 28 N 0.51 2.68 0.00 5.89 0.40 -1.26 -1.86 117.98 124.34 1vi8 s PHE 28 Ca -0.15 1.54 0.06 0.00 -0.60 0.00 0.00 56.93 57.78 1vi8 s PHE 28 Cb -0.17 -3.06 0.10 0.00 0.51 0.00 0.00 43.02 40.40 1vi8 s PHE 28 CO 0.05 -1.66 0.90 0.39 0.70 0.00 0.00 175.22 175.61 1vi8 n GLU 29 N -3.09 0.00 0.00 0.44 1.02 -1.09 -4.89 120.64 113.03 1vi8 n GLU 29 Ca 0.09 -0.96 0.00 0.00 -0.02 0.00 0.00 57.16 56.27 1vi8 n GLU 29 Cb 0.53 -0.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 1vi8 n GLU 29 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1vi8 n HIS 30 N 0.11 0.00 -3.21 -0.32 -0.00 -1.26 -4.95 115.22 105.60 1vi8 n HIS 30 Ca -0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.51 1vi8 n HIS 30 Cb 0.75 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.68 1vi8 n HIS 30 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1vi8 s ILE 31 N -1.97 -0.31 0.58 3.57 1.01 -1.26 -2.89 121.20 119.92 1vi8 s ILE 31 Ca 0.00 -1.51 -0.10 0.00 0.00 0.00 0.00 60.65 59.04 1vi8 s ILE 31 Cb 0.00 -0.66 0.14 0.00 0.01 0.00 0.00 42.46 41.95 1vi8 s ILE 31 CO 0.00 -0.63 0.62 0.61 0.00 0.00 0.00 174.94 175.54 1vi8 n GLY 32 N 3.43 -2.05 0.22 6.18 0.00 -0.04 -4.93 105.19 108.00 1vi8 n GLY 32 Ca 0.19 -1.57 0.03 0.00 0.00 0.00 0.00 46.02 44.67 1vi8 n GLY 32 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vi8 h ASP 33 N -1.46 0.12 -0.08 1.61 3.45 -2.02 -3.31 116.42 114.73 1vi8 h ASP 33 Ca -0.22 -0.03 -0.18 0.00 0.43 0.00 0.00 57.03 57.03 1vi8 h ASP 33 Cb 0.63 -0.03 -0.34 0.00 -0.56 0.00 0.00 39.33 39.03 1vi8 h ASP 33 CO 0.15 0.35 -0.90 -0.90 -1.57 0.00 0.00 179.24 176.37 1vi8 n ASP 34 N -4.23 0.67 -3.80 6.45 3.85 -1.19 -2.06 116.55 116.24 1vi8 n ASP 34 Ca -0.01 -2.01 -0.13 0.00 -0.71 0.00 0.00 54.79 51.93 1vi8 n ASP 34 Cb 0.31 -0.19 -0.09 0.00 -1.35 0.00 0.00 41.12 39.79 1vi8 n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1vi8 s THR 35 N -0.69 0.06 -0.05 2.12 2.01 -1.25 -4.44 115.64 113.40 1vi8 s THR 35 Ca 0.26 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 1vi8 s THR 35 Cb 0.32 -0.54 0.03 0.00 0.01 0.00 0.00 72.50 72.32 1vi8 s THR 35 CO -0.12 -0.28 0.08 -0.22 -0.69 0.00 0.00 174.62 173.39 1vi8 s LEU 36 N -1.24 0.38 0.32 4.42 2.96 -0.75 -0.86 118.68 123.91 1vi8 s LEU 36 Ca -0.13 0.14 0.09 0.00 -0.22 0.00 0.00 54.13 54.01 1vi8 s LEU 36 Cb -0.06 0.00 -0.04 0.00 0.50 0.00 0.00 46.19 46.59 1vi8 s LEU 36 CO 0.03 -0.21 0.10 -1.61 -1.32 0.00 0.00 176.35 173.34 1vi8 s GLU 37 N 1.84 2.35 -0.05 1.98 2.02 -1.14 -0.96 118.70 124.73 1vi8 s GLU 37 Ca -0.00 -1.51 -0.30 0.00 0.02 0.00 0.00 54.97 53.18 1vi8 s GLU 37 Cb -0.12 -2.17 0.11 0.00 0.10 0.00 0.00 34.13 32.05 1vi8 s GLU 37 CO -0.04 0.19 0.94 0.00 0.02 0.00 0.00 175.26 176.37 1vi8 s ALA 38 N -2.40 -1.87 0.35 5.21 0.00 -0.81 -2.67 121.76 119.58 1vi8 s ALA 38 Ca 0.36 1.16 0.03 0.00 0.00 0.00 0.00 51.96 53.51 1vi8 s ALA 38 Cb -0.03 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 1vi8 s ALA 38 CO 0.22 -0.63 0.09 0.95 0.00 0.00 0.00 175.76 176.38 1vi8 s THR 39 N -2.81 0.91 -0.17 0.00 -4.23 -0.77 0.73 115.64 109.30 1vi8 s THR 39 Ca 0.05 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.28 1vi8 s THR 39 Cb -0.01 -2.62 0.08 0.00 1.34 0.00 0.00 72.50 71.29 1vi8 s THR 39 CO -0.07 0.00 0.75 -0.32 -0.54 0.00 0.00 174.62 174.44 1vi8 s MET 40 N -3.85 0.88 0.00 3.99 0.00 -0.46 -2.77 119.30 117.09 1vi8 s MET 40 Ca 0.32 0.58 0.00 0.00 0.00 0.00 0.00 55.69 56.59 1vi8 s MET 40 Cb 0.06 0.42 0.00 0.00 0.00 0.00 0.00 34.83 35.32 1vi8 s MET 40 CO 0.15 -0.20 0.00 -0.35 0.00 0.00 0.00 175.02 174.62 1vi8 n PRO 41 N 1.73 0.92 -3.20 4.11 -0.04 -1.26 -0.43 135.00 136.83 1vi8 n PRO 41 Ca -0.16 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.27 1vi8 n PRO 41 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.00 1vi8 n PRO 41 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1vi8 s VAL 42 N -0.04 -0.84 0.00 0.52 1.01 -1.07 -4.53 120.40 115.45 1vi8 s VAL 42 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1vi8 s VAL 42 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.23 1vi8 s VAL 42 CO 0.00 -0.14 0.00 -0.90 0.00 0.00 0.00 175.10 174.06 1vi8 n ASP 43 N 4.20 0.00 -0.44 3.32 3.85 -1.26 -4.66 116.55 121.56 1vi8 n ASP 43 Ca 0.12 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.20 1vi8 n ASP 43 Cb 0.54 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.31 1vi8 n ASP 43 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1vi8 n SER 44 N 0.00 0.39 0.00 -1.12 3.41 -1.26 -2.17 113.62 112.87 1vi8 n SER 44 Ca 0.00 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1vi8 n SER 44 Cb 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1vi8 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1vi8 n ARG 45 N 0.18 1.69 -1.68 4.33 1.74 -1.26 -4.83 116.66 116.83 1vi8 n ARG 45 Ca 0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 1vi8 n ARG 45 Cb 0.10 -0.74 0.06 0.00 -1.02 0.00 0.00 32.46 30.86 1vi8 n ARG 45 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1vi8 n THR 46 N -1.32 2.56 -4.08 0.55 -2.24 -0.92 -5.02 114.28 103.80 1vi8 n THR 46 Ca 0.00 -3.90 -0.11 0.00 -2.27 0.00 0.00 64.05 57.77 1vi8 n THR 46 Cb 0.24 -0.95 -0.11 0.00 -2.10 0.00 0.00 70.33 67.41 1vi8 n THR 46 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1vi8 s LYS 47 N -3.54 0.59 0.63 -0.78 1.02 -0.96 -1.95 119.74 114.76 1vi8 s LYS 47 Ca 0.50 -0.94 0.03 0.00 0.02 0.00 0.00 55.97 55.58 1vi8 s LYS 47 Cb 0.41 -0.18 0.09 0.00 -0.52 0.00 0.00 37.83 37.63 1vi8 s LYS 47 CO 0.02 0.01 0.88 1.14 -0.92 0.00 0.00 175.35 176.47 1vi8 s GLN 48 N -2.37 2.07 0.00 1.68 1.03 -1.05 -4.77 119.66 116.25 1vi8 s GLN 48 Ca -0.03 -1.18 0.00 0.00 0.04 0.00 0.00 55.36 54.19 1vi8 s GLN 48 Cb -0.04 -2.46 0.00 0.00 0.03 0.00 0.00 33.01 30.53 1vi8 s GLN 48 CO -0.02 -1.09 0.05 -2.30 -2.54 0.00 0.00 175.29 169.39 1vi8 n PRO 49 N -2.54 0.00 -0.00 9.60 -0.02 -1.26 -1.70 135.00 139.08 1vi8 n PRO 49 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1vi8 n PRO 49 Cb 0.61 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 33.02 1vi8 n PRO 49 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1vi8 n PHE 50 N -0.46 0.00 -2.87 6.00 3.01 -1.26 -5.03 117.46 116.85 1vi8 n PHE 50 Ca 0.00 -0.30 -0.09 0.00 1.01 0.00 0.00 57.45 58.07 1vi8 n PHE 50 Cb 0.00 -0.03 0.03 0.00 -0.01 0.00 0.00 39.48 39.47 1vi8 n PHE 50 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1vi8 n GLY 51 N -0.30 0.27 3.11 1.37 0.00 -0.69 -5.06 105.19 103.89 1vi8 n GLY 51 Ca 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.58 1vi8 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vi8 s LEU 52 N -3.69 2.25 -0.27 0.99 1.43 -1.26 -4.60 118.68 113.53 1vi8 s LEU 52 Ca 0.19 -0.55 -0.37 0.00 -1.03 0.00 0.00 54.13 52.37 1vi8 s LEU 52 Cb -0.08 -0.37 -0.13 0.00 0.03 0.00 0.00 46.19 45.64 1vi8 s LEU 52 CO 0.31 -0.11 1.95 -0.11 0.23 0.00 0.00 176.35 178.62 1vi8 n LEU 53 N 1.49 2.53 -4.76 1.79 7.94 0.38 -2.52 117.00 123.84 1vi8 n LEU 53 Ca -0.21 0.79 -0.41 0.00 -1.11 0.00 0.00 56.01 55.07 1vi8 n LEU 53 Cb 0.55 -1.24 -0.01 0.00 0.53 0.00 0.00 43.42 43.24 1vi8 n LEU 53 CO 0.21 -0.46 1.17 -2.28 -1.11 0.00 0.00 177.39 174.93 1vi8 s HIS 54 N 5.16 2.75 0.25 1.96 5.65 -0.82 -4.75 115.29 125.50 1vi8 s HIS 54 Ca 1.02 0.99 -0.04 0.00 0.25 0.00 0.00 55.06 57.28 1vi8 s HIS 54 Cb -0.91 -3.99 0.31 0.00 -1.18 0.00 0.00 32.58 26.81 1vi8 s HIS 54 CO 0.56 -3.15 1.81 0.78 -0.65 0.00 0.00 174.74 174.09 1vi8 h GLY 55 N 4.17 1.04 1.86 1.59 0.00 -1.92 -2.18 103.07 107.63 1vi8 h GLY 55 Ca -0.48 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.20 1vi8 h GLY 55 CO 0.73 0.55 -0.20 -1.33 0.00 0.00 0.00 176.54 176.29 1vi8 h GLY 56 N 1.04 0.18 1.05 4.60 0.00 -1.99 -2.47 103.07 105.48 1vi8 h GLY 56 Ca 0.21 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 1vi8 h GLY 56 CO -0.01 0.11 0.32 0.00 0.00 0.00 0.00 176.54 176.97 1vi8 h ALA 57 N 1.64 1.04 -0.72 3.60 0.00 -1.75 0.21 119.26 123.27 1vi8 h ALA 57 Ca 0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1vi8 h ALA 57 Cb 0.45 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1vi8 h ALA 57 CO 0.03 0.67 0.24 0.77 0.00 0.00 0.00 179.25 180.96 1vi8 h SER 58 N 1.17 1.03 -0.28 0.00 0.02 -1.26 -0.92 113.55 113.30 1vi8 h SER 58 Ca 0.27 -0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 1vi8 h SER 58 Cb 0.21 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1vi8 h SER 58 CO -0.02 0.95 -0.33 0.58 -1.14 0.00 0.00 176.83 176.87 1vi8 h VAL 59 N 1.07 1.28 -0.65 2.27 2.07 -0.99 0.23 116.25 121.52 1vi8 h VAL 59 Ca 0.24 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.31 1vi8 h VAL 59 Cb 0.28 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 1vi8 h VAL 59 CO -0.01 0.49 0.40 0.58 0.02 0.00 0.00 177.57 179.05 1vi8 h VAL 60 N 0.67 1.06 -0.40 2.57 2.07 -0.22 0.25 116.25 122.25 1vi8 h VAL 60 Ca 0.07 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1vi8 h VAL 60 Cb 0.88 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1vi8 h VAL 60 CO 0.08 0.14 0.03 0.25 0.02 0.00 0.00 177.57 178.09 1vi8 h LEU 61 N 0.77 0.66 0.38 2.57 5.85 -0.76 0.00 115.31 124.78 1vi8 h LEU 61 Ca 0.27 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1vi8 h LEU 61 Cb 0.05 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1vi8 h LEU 61 CO -0.12 0.78 -0.18 0.00 -0.34 0.00 0.00 178.44 178.58 1vi8 h ALA 62 N 0.91 -0.51 -0.39 1.25 0.00 0.00 -2.64 119.26 117.87 1vi8 h ALA 62 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1vi8 h ALA 62 Cb 0.42 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1vi8 h ALA 62 CO 0.01 -0.73 0.25 1.49 0.00 0.00 0.00 179.25 180.28 1vi8 h GLU 63 N -0.63 0.52 -0.49 0.00 4.81 -0.49 -0.70 114.58 117.60 1vi8 h GLU 63 Ca -0.05 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1vi8 h GLU 63 Cb 0.46 -0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.63 1vi8 h GLU 63 CO 0.09 0.36 -0.12 0.77 -0.73 0.00 0.00 179.01 179.37 1vi8 h SER 64 N 0.53 -0.45 -0.23 1.04 0.02 -0.98 0.19 113.55 113.67 1vi8 h SER 64 Ca 0.14 0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1vi8 h SER 64 Cb -0.04 0.30 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1vi8 h SER 64 CO -0.03 -0.16 -0.17 0.40 -1.14 0.00 0.00 176.83 175.73 1vi8 h ILE 65 N 0.00 1.31 -0.72 3.27 2.04 -1.21 -3.10 117.51 119.10 1vi8 h ILE 65 Ca 0.23 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 1vi8 h ILE 65 Cb 0.36 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1vi8 h ILE 65 CO -0.50 0.40 0.39 1.23 0.00 0.00 0.00 178.15 179.67 1vi8 h GLY 66 N 0.22 1.07 0.98 5.37 0.00 -0.70 -1.52 103.07 108.50 1vi8 h GLY 66 Ca 0.04 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1vi8 h GLY 66 CO 0.05 0.46 -0.22 1.76 0.00 0.00 0.00 176.54 178.58 1vi8 h SER 67 N 1.01 -0.53 -0.29 0.19 0.02 -0.61 -0.47 113.55 112.86 1vi8 h SER 67 Ca 0.26 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1vi8 h SER 67 Cb 0.03 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1vi8 h SER 67 CO -0.04 -0.37 0.11 -0.37 -1.14 0.00 0.00 176.83 175.02 1vi8 h VAL 68 N -0.61 1.18 -0.79 2.27 -1.51 -1.46 -1.45 116.25 113.89 1vi8 h VAL 68 Ca -0.06 -0.57 0.11 0.00 -1.23 0.00 0.00 66.70 64.95 1vi8 h VAL 68 Cb 0.47 1.02 -0.08 0.00 -2.13 0.00 0.00 31.29 30.57 1vi8 h VAL 68 CO 0.09 0.19 0.41 0.00 -1.23 0.00 0.00 177.57 177.03 1vi8 h ALA 69 N 0.95 1.14 -0.63 5.19 0.00 -1.22 0.43 119.26 125.12 1vi8 h ALA 69 Ca 0.10 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1vi8 h ALA 69 Cb 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1vi8 h ALA 69 CO -0.01 -0.03 0.14 0.78 0.00 0.00 0.00 179.25 180.12 1vi8 h GLY 70 N 0.65 1.07 0.97 0.00 0.00 -0.79 -2.61 103.07 102.35 1vi8 h GLY 70 Ca 0.40 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1vi8 h GLY 70 CO -0.30 0.61 0.22 -1.82 0.00 0.00 0.00 176.54 175.24 1vi8 h TYR 71 N 0.94 0.55 0.00 5.60 3.20 0.51 -1.59 116.97 126.18 1vi8 h TYR 71 Ca 0.20 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1vi8 h TYR 71 Cb 0.36 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1vi8 h TYR 71 CO 0.02 0.43 0.00 1.28 -1.64 0.00 0.00 178.16 178.25 1vi8 n LEU 72 N -4.73 0.00 -1.20 2.82 4.77 0.12 -1.37 117.00 117.40 1vi8 n LEU 72 Ca 0.00 0.41 0.10 0.00 -0.03 0.00 0.00 56.01 56.49 1vi8 n LEU 72 Cb 0.08 -0.41 0.29 0.00 -2.33 0.00 0.00 43.42 41.05 1vi8 n LEU 72 CO 0.36 -0.31 0.74 0.00 -1.33 0.00 0.00 177.39 176.85 1vi8 s THR 74 N -1.08 1.82 0.15 0.00 -4.23 -0.47 -4.65 115.64 107.17 1vi8 s THR 74 Ca 0.43 -1.79 0.08 0.00 -1.18 0.00 0.00 61.69 59.23 1vi8 s THR 74 Cb 0.23 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 1vi8 s THR 74 CO 0.29 0.00 -0.19 -1.61 -0.54 0.00 0.00 174.62 172.57 1vi8 s GLU 75 N -3.93 1.24 4.18 3.99 2.02 -1.26 -4.23 118.70 120.71 1vi8 s GLU 75 Ca 0.29 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 53.92 1vi8 s GLU 75 Cb 0.03 -1.35 0.00 0.00 0.10 0.00 0.00 34.13 32.91 1vi8 s GLU 75 CO 0.16 0.28 0.00 0.41 0.02 0.00 0.00 175.26 176.13 1vi8 n GLY 76 N 0.47 3.21 0.06 -1.39 0.00 -1.26 -1.26 105.19 105.01 1vi8 n GLY 76 Ca -0.15 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1vi8 n GLY 76 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vi8 n GLU 77 N 14.00 1.08 -1.28 1.61 -0.58 -1.26 -4.90 120.64 129.31 1vi8 n GLU 77 Ca 0.00 -0.11 -0.33 0.00 -0.42 0.00 0.00 57.16 56.29 1vi8 n GLU 77 Cb 0.00 -1.38 0.11 0.00 -0.57 0.00 0.00 31.44 29.59 1vi8 n GLU 77 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1vi8 s GLN 78 N -1.99 1.95 0.18 3.49 -0.21 -0.39 -4.88 119.66 117.80 1vi8 s GLN 78 Ca 0.36 1.65 -0.13 0.00 0.02 0.00 0.00 55.36 57.26 1vi8 s GLN 78 Cb 0.17 -1.82 0.01 0.00 1.00 0.00 0.00 33.01 32.36 1vi8 s GLN 78 CO 0.28 -1.96 0.38 0.15 -2.12 0.00 0.00 175.29 172.02 1vi8 s LYS 79 N -4.15 1.25 0.07 2.91 1.02 -0.76 -4.82 119.74 115.25 1vi8 s LYS 79 Ca 0.71 -1.04 0.07 0.00 0.02 0.00 0.00 55.97 55.73 1vi8 s LYS 79 Cb -0.26 0.44 -0.03 0.00 -0.52 0.00 0.00 37.83 37.46 1vi8 s LYS 79 CO 0.49 -0.49 -0.18 0.14 -0.92 0.00 0.00 175.35 174.38 1vi8 s VAL 80 N -3.92 1.49 -0.07 3.17 -7.23 -1.26 -0.48 120.40 112.10 1vi8 s VAL 80 Ca 0.13 -1.29 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 1vi8 s VAL 80 Cb 0.01 -1.34 0.02 0.00 0.56 0.00 0.00 36.38 35.63 1vi8 s VAL 80 CO -0.01 0.02 -0.10 0.68 -0.31 0.00 0.00 175.10 175.37 1vi8 s VAL 81 N -0.99 1.00 0.15 1.32 -7.23 -0.94 -4.97 120.40 108.74 1vi8 s VAL 81 Ca 0.05 -0.38 -0.31 0.00 -1.81 0.00 0.00 61.98 59.52 1vi8 s VAL 81 Cb -0.09 -0.94 -0.09 0.00 0.56 0.00 0.00 36.38 35.82 1vi8 s VAL 81 CO 0.03 0.33 1.44 -0.83 -0.31 0.00 0.00 175.10 175.76 1vi8 s GLY 82 N 0.82 1.94 -0.20 2.32 0.00 -1.26 -2.04 107.32 108.90 1vi8 s GLY 82 Ca -0.12 1.22 -0.14 0.00 0.00 0.00 0.00 44.72 45.68 1vi8 s GLY 82 CO 0.02 2.40 -0.31 1.04 0.00 0.00 0.00 173.10 176.25 1vi8 n LEU 83 N 3.64 1.76 -4.01 0.66 4.77 0.68 -4.94 117.00 119.57 1vi8 n LEU 83 Ca 0.11 0.30 -0.19 0.00 -0.03 0.00 0.00 56.01 56.21 1vi8 n LEU 83 Cb 0.41 -0.70 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 1vi8 n LEU 83 CO 0.60 0.14 -0.43 -0.70 -1.33 0.00 0.00 177.39 175.67 1vi8 s GLU 84 N -2.60 0.73 -0.01 3.23 2.56 -0.89 -5.00 118.70 116.72 1vi8 s GLU 84 Ca -0.30 -0.30 -0.02 0.00 0.00 0.00 0.00 54.97 54.34 1vi8 s GLU 84 Cb 0.09 -0.70 -0.00 0.00 2.00 0.00 0.00 34.13 35.52 1vi8 s GLU 84 CO 0.40 0.17 0.05 -1.50 -0.56 0.00 0.00 175.26 173.83 1vi8 s ILE 85 N -0.15 0.03 0.07 -3.70 2.07 -1.26 -0.48 121.20 117.78 1vi8 s ILE 85 Ca 0.02 -0.26 -0.06 0.00 -1.41 0.00 0.00 60.65 58.94 1vi8 s ILE 85 Cb -0.04 -0.16 -0.01 0.00 0.13 0.00 0.00 42.46 42.38 1vi8 s ILE 85 CO -0.00 -0.14 0.12 0.54 -1.91 0.00 0.00 174.94 173.54 1vi8 s ASN 86 N -0.42 0.23 -0.23 4.50 2.20 -0.79 -4.99 114.94 115.43 1vi8 s ASN 86 Ca -0.05 -0.71 -0.22 0.00 -0.94 0.00 0.00 52.86 50.93 1vi8 s ASN 86 Cb -0.03 0.28 0.06 0.00 -2.00 0.00 0.00 41.25 39.56 1vi8 s ASN 86 CO 0.00 -0.65 0.63 0.00 -2.94 0.00 0.00 177.10 174.14 1vi8 s ALA 87 N -3.62 -1.56 -0.28 3.54 0.00 -1.26 -1.30 121.76 117.28 1vi8 s ALA 87 Ca 0.03 1.74 -0.07 0.00 0.00 0.00 0.00 51.96 53.66 1vi8 s ALA 87 Cb 0.04 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.19 1vi8 s ALA 87 CO -0.09 -0.30 0.08 -0.80 0.00 0.00 0.00 175.76 174.64 1vi8 s ASN 88 N 0.24 5.14 -0.75 0.00 -0.87 0.70 -4.94 114.94 114.45 1vi8 s ASN 88 Ca -0.01 -0.52 -0.22 0.00 -1.57 0.00 0.00 52.86 50.54 1vi8 s ASN 88 Cb -0.04 -1.90 0.08 0.00 -0.02 0.00 0.00 41.25 39.36 1vi8 s ASN 88 CO 0.01 -0.14 1.06 -1.00 -2.57 0.00 0.00 177.10 174.47 1vi8 s HIS 89 N 1.55 2.72 -2.81 2.20 3.76 -1.26 -1.90 115.29 119.55 1vi8 s HIS 89 Ca 0.04 -0.70 0.25 0.00 -0.15 0.00 0.00 55.06 54.50 1vi8 s HIS 89 Cb -0.16 -4.35 0.43 0.00 1.11 0.00 0.00 32.58 29.61 1vi8 s HIS 89 CO 0.03 -1.67 1.40 1.33 -0.85 0.00 0.00 174.74 174.97 1vi8 n VAL 90 N 5.94 0.00 -3.64 -0.90 0.24 -0.71 -4.94 118.33 114.31 1vi8 n VAL 90 Ca 0.05 -0.42 -0.06 0.00 -2.04 0.00 0.00 64.34 61.88 1vi8 n VAL 90 Cb 0.47 1.19 -0.07 0.00 -1.47 0.00 0.00 33.84 33.96 1vi8 n VAL 90 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1vi8 s ARG 91 N -2.02 0.42 0.85 7.34 3.52 -1.14 -4.94 118.95 122.98 1vi8 s ARG 91 Ca 0.30 0.61 -0.13 0.00 -0.13 0.00 0.00 55.73 56.39 1vi8 s ARG 91 Cb 0.20 0.15 0.11 0.00 -1.56 0.00 0.00 34.95 33.85 1vi8 s ARG 91 CO 0.32 -0.07 1.20 -1.54 -0.81 0.00 0.00 175.30 174.40 1vi8 s SER 92 N 0.78 4.12 -0.09 -2.12 1.04 -1.26 -4.49 113.70 111.68 1vi8 s SER 92 Ca -0.03 0.72 -0.10 0.00 0.48 0.00 0.00 55.95 57.02 1vi8 s SER 92 Cb -0.04 -1.15 0.03 0.00 0.10 0.00 0.00 66.02 64.96 1vi8 s SER 92 CO -0.11 -2.15 0.28 0.00 0.98 0.00 0.00 173.24 172.24 1vi8 s ALA 93 N -3.59 -0.69 0.00 5.32 0.00 -1.26 -4.97 121.76 116.57 1vi8 s ALA 93 Ca 0.64 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1vi8 s ALA 93 Cb -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1vi8 s ALA 93 CO 0.50 -0.16 0.00 2.89 0.00 0.00 0.00 175.76 179.00 1vi8 n ARG 94 N 2.60 2.61 -3.57 0.00 1.85 -1.26 0.14 116.66 119.03 1vi8 n ARG 94 Ca -0.15 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.60 1vi8 n ARG 94 Cb 0.58 -0.72 -0.04 0.00 -1.05 0.00 0.00 32.46 31.23 1vi8 n ARG 94 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1vi8 s GLU 95 N -1.23 1.16 1.05 2.89 4.04 -1.26 -4.87 118.70 120.47 1vi8 s GLU 95 Ca 0.00 -0.65 0.00 0.00 0.04 0.00 0.00 54.97 54.36 1vi8 s GLU 95 Cb 0.00 0.51 0.00 0.00 0.02 0.00 0.00 34.13 34.66 1vi8 s GLU 95 CO 0.00 -0.47 0.00 0.41 -1.84 0.00 0.00 175.26 173.36 1vi8 n GLY 96 N -0.28 -1.49 3.22 -3.83 0.00 -1.26 -4.86 105.19 96.68 1vi8 n GLY 96 Ca -0.16 -1.64 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 1vi8 n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vi8 s ARG 97 N 0.00 1.41 -0.05 1.61 0.52 -1.26 -2.59 118.95 118.59 1vi8 s ARG 97 Ca 0.00 -0.82 -0.04 0.00 -0.52 0.00 0.00 55.73 54.35 1vi8 s ARG 97 Cb 0.00 -1.45 -0.04 0.00 0.52 0.00 0.00 34.95 33.98 1vi8 s ARG 97 CO 0.00 0.38 0.14 0.54 0.02 0.00 0.00 175.30 176.38 1vi8 s VAL 98 N -0.66 5.26 -0.21 3.52 0.11 0.43 -3.10 120.40 125.75 1vi8 s VAL 98 Ca 0.07 -0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.00 1vi8 s VAL 98 Cb -0.08 -3.37 -0.02 0.00 -1.53 0.00 0.00 36.38 31.38 1vi8 s VAL 98 CO 0.01 0.46 -0.03 -0.60 -3.33 0.00 0.00 175.10 171.61 1vi8 s ARG 99 N -1.50 3.49 -0.13 1.54 3.52 0.88 -1.36 118.95 125.40 1vi8 s ARG 99 Ca 0.21 -0.58 -0.14 0.00 -0.13 0.00 0.00 55.73 55.09 1vi8 s ARG 99 Cb -0.12 -3.02 -0.05 0.00 -1.56 0.00 0.00 34.95 30.20 1vi8 s ARG 99 CO 0.11 -0.07 0.32 0.20 -0.81 0.00 0.00 175.30 175.05 1vi8 s GLY 100 N 1.19 2.27 -0.29 8.12 0.00 0.22 -1.42 107.32 117.42 1vi8 s GLY 100 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 44.72 44.34 1vi8 s GLY 100 CO -0.00 0.38 -0.02 0.14 0.00 0.00 0.00 173.10 173.60 1vi8 s VAL 101 N 0.17 2.84 -0.21 1.40 1.01 0.08 -1.92 120.40 123.77 1vi8 s VAL 101 Ca 0.19 -1.40 -0.09 0.00 0.00 0.00 0.00 61.98 60.68 1vi8 s VAL 101 Cb -0.14 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1vi8 s VAL 101 CO 0.06 -0.07 0.10 0.00 0.00 0.00 0.00 175.10 175.19 1vi8 s LYS 103 N 0.67 0.93 0.22 0.00 1.02 -0.77 -1.81 119.74 120.00 1vi8 s LYS 103 Ca 0.05 -1.27 -0.15 0.00 0.02 0.00 0.00 55.97 54.62 1vi8 s LYS 103 Cb -0.13 -0.60 -0.08 0.00 -0.52 0.00 0.00 37.83 36.51 1vi8 s LYS 103 CO 0.01 0.09 0.64 -1.25 -0.92 0.00 0.00 175.35 173.92 1vi8 s PRO 104 N -3.11 4.04 -0.09 -1.68 0.04 -1.26 -1.74 135.00 131.20 1vi8 s PRO 104 Ca 0.10 0.61 0.12 0.00 0.04 0.00 0.00 61.00 61.87 1vi8 s PRO 104 Cb -0.01 -2.77 -0.17 0.00 0.04 0.00 0.00 34.50 31.59 1vi8 s PRO 104 CO 0.00 0.36 0.13 1.28 0.04 0.00 0.00 177.00 178.81 1vi8 n LEU 105 N 0.40 0.00 -3.60 -3.56 4.77 0.72 -4.87 117.00 110.86 1vi8 n LEU 105 Ca -0.02 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.93 1vi8 n LEU 105 Cb 0.52 0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.75 1vi8 n LEU 105 CO 0.43 0.20 0.52 -2.28 -1.33 0.00 0.00 177.39 174.93 1vi8 s HIS 106 N -2.51 -0.82 -0.55 -1.77 5.04 -1.02 -4.95 115.29 108.72 1vi8 s HIS 106 Ca -0.06 1.57 0.04 0.00 -1.54 0.00 0.00 55.06 55.08 1vi8 s HIS 106 Cb 0.05 0.49 0.14 0.00 0.04 0.00 0.00 32.58 33.30 1vi8 s HIS 106 CO 0.52 -0.41 0.30 -0.51 -2.34 0.00 0.00 174.74 172.30 1vi8 s LEU 107 N 1.79 4.22 0.76 8.88 1.43 -1.26 -0.83 118.68 133.67 1vi8 s LEU 107 Ca -0.08 -3.15 -0.01 0.00 -1.03 0.00 0.00 54.13 49.87 1vi8 s LEU 107 Cb -0.05 -1.57 0.15 0.00 0.03 0.00 0.00 46.19 44.75 1vi8 s LEU 107 CO -0.17 -0.20 1.04 -0.83 0.23 0.00 0.00 176.35 176.41 1vi8 s GLY 108 N -0.46 1.75 0.42 -3.19 0.00 -0.20 -5.01 107.32 100.63 1vi8 s GLY 108 Ca 0.19 -1.87 0.22 0.00 0.00 0.00 0.00 44.72 43.25 1vi8 s GLY 108 CO -0.03 -1.24 1.59 1.48 0.00 0.00 0.00 173.10 174.90 1vi8 h SER 109 N -0.64 0.00 0.00 1.64 4.64 -2.01 -3.36 113.55 113.82 1vi8 h SER 109 Ca -0.34 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1vi8 h SER 109 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1vi8 h SER 109 CO 0.37 0.07 -1.09 -1.14 -0.87 0.00 0.00 176.83 174.17 1vi8 n ARG 110 N -3.12 0.63 -3.74 4.77 0.00 -1.26 -4.82 116.66 109.11 1vi8 n ARG 110 Ca 0.04 -0.01 -0.10 0.00 -0.00 0.00 0.00 57.85 57.77 1vi8 n ARG 110 Cb 0.56 -1.04 -0.05 0.00 0.00 0.00 0.00 32.46 31.93 1vi8 n ARG 110 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 1vi8 s HIS 111 N -2.11 -0.05 0.09 -0.14 -3.43 -1.26 0.13 115.29 108.53 1vi8 s HIS 111 Ca -0.01 -0.29 0.01 0.00 -0.80 0.00 0.00 55.06 53.97 1vi8 s HIS 111 Cb 0.01 0.25 -0.04 0.00 -1.43 0.00 0.00 32.58 31.37 1vi8 s HIS 111 CO 0.07 -0.79 -0.06 -0.65 -2.00 0.00 0.00 174.74 171.31 1vi8 s GLN 112 N -3.87 0.77 -0.09 -0.38 -0.21 -0.24 -1.03 119.66 114.62 1vi8 s GLN 112 Ca 0.08 -1.26 -0.01 0.00 0.02 0.00 0.00 55.36 54.19 1vi8 s GLN 112 Cb 0.01 -0.16 0.03 0.00 1.00 0.00 0.00 33.01 33.89 1vi8 s GLN 112 CO -0.06 -0.02 -0.04 0.08 -2.12 0.00 0.00 175.29 173.13 1vi8 s VAL 113 N -3.45 0.71 -0.01 1.09 1.01 -0.01 -0.71 120.40 119.01 1vi8 s VAL 113 Ca 0.09 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.03 1vi8 s VAL 113 Cb 0.04 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1vi8 s VAL 113 CO -0.05 0.31 -0.18 0.26 0.00 0.00 0.00 175.10 175.44 1vi8 s TRP 114 N 1.78 2.56 -0.14 5.22 0.52 0.14 -0.20 118.94 128.82 1vi8 s TRP 114 Ca 0.04 -0.26 -0.01 0.00 0.02 0.00 0.00 56.10 55.89 1vi8 s TRP 114 Cb -0.13 -1.55 -0.01 0.00 -1.15 0.00 0.00 33.47 30.63 1vi8 s TRP 114 CO -0.06 0.15 -0.11 -1.14 0.02 0.00 0.00 176.95 175.81 1vi8 s GLN 115 N -0.92 3.41 -0.24 4.98 2.00 -0.71 0.08 119.66 128.26 1vi8 s GLN 115 Ca 0.12 -0.66 0.01 0.00 -2.00 0.00 0.00 55.36 52.83 1vi8 s GLN 115 Cb -0.10 -2.71 0.06 0.00 0.80 0.00 0.00 33.01 31.06 1vi8 s GLN 115 CO 0.02 0.16 -0.05 0.42 -0.50 0.00 0.00 175.29 175.34 1vi8 s ILE 116 N 0.50 1.53 -0.16 -2.34 1.09 0.15 -1.85 121.20 120.13 1vi8 s ILE 116 Ca -0.08 -1.24 -0.15 0.00 -1.10 0.00 0.00 60.65 58.09 1vi8 s ILE 116 Cb -0.15 -1.80 -0.04 0.00 -1.06 0.00 0.00 42.46 39.40 1vi8 s ILE 116 CO 0.04 -0.12 0.33 -1.61 -0.10 0.00 0.00 174.94 173.49 1vi8 s GLU 117 N 1.39 4.27 -0.17 2.79 2.02 -0.91 -1.95 118.70 126.14 1vi8 s GLU 117 Ca -0.05 0.17 -0.04 0.00 0.02 0.00 0.00 54.97 55.06 1vi8 s GLU 117 Cb -0.19 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 1vi8 s GLU 117 CO -0.06 0.20 -0.02 0.42 0.02 0.00 0.00 175.26 175.81 1vi8 s ILE 118 N 0.57 3.93 0.18 -1.63 1.01 0.71 -0.75 121.20 125.22 1vi8 s ILE 118 Ca 0.18 -0.34 0.10 0.00 0.00 0.00 0.00 60.65 60.60 1vi8 s ILE 118 Cb -0.13 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1vi8 s ILE 118 CO 0.05 0.47 -0.21 -0.36 0.00 0.00 0.00 174.94 174.89 1vi8 s PHE 119 N 0.58 2.08 0.67 3.97 0.40 -0.51 -0.67 117.98 124.51 1vi8 s PHE 119 Ca -0.02 -0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1vi8 s PHE 119 Cb -0.14 -1.03 0.10 0.00 0.51 0.00 0.00 43.02 42.46 1vi8 s PHE 119 CO 0.02 0.44 0.93 0.16 0.70 0.00 0.00 175.22 177.47 1vi8 s ASP 120 N -2.71 4.64 0.35 1.36 3.84 -0.64 -0.08 116.67 123.43 1vi8 s ASP 120 Ca 0.19 -0.23 0.13 0.00 -0.00 0.00 0.00 52.55 52.64 1vi8 s ASP 120 Cb -0.07 -0.30 0.97 0.00 -1.38 0.00 0.00 42.92 42.14 1vi8 s ASP 120 CO 0.09 -1.64 1.74 1.05 -0.00 0.00 0.00 175.17 176.41 1vi8 h GLU 121 N -0.35 0.49 0.00 2.11 4.11 -1.87 1.12 114.58 120.18 1vi8 h GLU 121 Ca -0.38 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.02 1vi8 h GLU 121 Cb 1.28 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1vi8 h GLU 121 CO 0.45 0.32 0.00 1.63 0.07 0.00 0.00 179.01 181.48 1vi8 n LYS 122 N -4.79 0.15 -0.38 1.06 4.01 -1.26 -4.85 118.16 112.11 1vi8 n LYS 122 Ca 0.27 0.36 0.00 0.00 -0.51 0.00 0.00 58.31 58.42 1vi8 n LYS 122 Cb 0.81 -1.78 0.00 0.00 -0.51 0.00 0.00 35.03 33.55 1vi8 n LYS 122 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1vi8 n GLY 123 N 0.14 0.79 3.65 0.72 0.00 0.39 -5.05 105.19 105.83 1vi8 n GLY 123 Ca 0.03 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1vi8 n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vi8 s ARG 124 N -0.69 4.20 0.07 1.61 0.52 -1.25 -4.69 118.95 118.73 1vi8 s ARG 124 Ca 0.00 0.93 -0.33 0.00 -0.52 0.00 0.00 55.73 55.81 1vi8 s ARG 124 Cb 0.00 -3.63 -0.12 0.00 0.52 0.00 0.00 34.95 31.72 1vi8 s ARG 124 CO 0.00 -0.47 1.78 -0.11 0.02 0.00 0.00 175.30 176.52 1vi8 n LEU 125 N 5.81 3.62 -0.03 2.53 7.94 -1.26 -1.61 117.00 134.00 1vi8 n LEU 125 Ca 0.05 1.01 -0.03 0.00 -1.11 0.00 0.00 56.01 55.92 1vi8 n LEU 125 Cb 0.48 -1.46 -0.05 0.00 0.53 0.00 0.00 43.42 42.91 1vi8 n LEU 125 CO 0.47 -0.02 -0.71 0.00 -1.11 0.00 0.00 177.39 176.02 1vi8 s SER 128 N 0.12 2.79 0.14 0.00 0.15 -0.80 -0.21 113.70 115.89 1vi8 s SER 128 Ca -0.01 -0.58 0.04 0.00 0.70 0.00 0.00 55.95 56.10 1vi8 s SER 128 Cb -0.03 -1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 63.16 1vi8 s SER 128 CO 0.01 -0.11 -0.10 -0.94 1.20 0.00 0.00 173.24 173.30 1vi8 s SER 129 N 1.53 1.77 0.04 5.45 1.04 -0.82 -0.22 113.70 122.49 1vi8 s SER 129 Ca 0.03 -1.01 0.06 0.00 0.48 0.00 0.00 55.95 55.51 1vi8 s SER 129 Cb -0.14 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 1vi8 s SER 129 CO -0.09 -0.33 -0.17 -0.13 0.98 0.00 0.00 173.24 173.50 1vi8 s ARG 130 N -3.72 1.10 -0.07 4.02 3.00 -0.42 -0.67 118.95 122.19 1vi8 s ARG 130 Ca 0.16 -0.83 0.01 0.00 0.00 0.00 0.00 55.73 55.08 1vi8 s ARG 130 Cb 0.02 -1.15 0.02 0.00 0.00 0.00 0.00 34.95 33.84 1vi8 s ARG 130 CO 0.00 0.29 -0.10 -1.17 0.00 0.00 0.00 175.30 174.32 1vi8 s LEU 131 N -1.17 1.48 -0.21 2.53 2.96 0.11 -1.89 118.68 122.50 1vi8 s LEU 131 Ca 0.04 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1vi8 s LEU 131 Cb -0.08 -0.76 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 1vi8 s LEU 131 CO 0.01 -0.02 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.11 1vi8 s THR 132 N 0.94 3.58 0.29 3.68 2.01 0.36 0.23 115.64 126.74 1vi8 s THR 132 Ca -0.10 -0.43 0.09 0.00 0.31 0.00 0.00 61.69 61.57 1vi8 s THR 132 Cb -0.15 -2.62 -0.06 0.00 0.01 0.00 0.00 72.50 69.69 1vi8 s THR 132 CO 0.00 0.43 -0.13 0.42 -0.69 0.00 0.00 174.62 174.65 1vi8 s THR 133 N 1.24 2.11 -0.03 -0.82 -4.23 0.11 -0.23 115.64 113.80 1vi8 s THR 133 Ca 0.03 -2.26 0.06 0.00 -1.18 0.00 0.00 61.69 58.34 1vi8 s THR 133 Cb -0.14 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.29 1vi8 s THR 133 CO -0.01 -0.36 -0.19 0.00 -0.54 0.00 0.00 174.62 173.53 1vi8 s ALA 134 N -2.72 2.50 -0.26 3.99 0.00 -0.86 -1.08 121.76 123.32 1vi8 s ALA 134 Ca 0.29 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 1vi8 s ALA 134 Cb -0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 1vi8 s ALA 134 CO 0.13 0.55 0.48 0.42 0.00 0.00 0.00 175.76 177.34 1vi8 s ILE 135 N -0.73 5.10 -0.18 0.00 1.01 0.12 -2.20 121.20 124.32 1vi8 s ILE 135 Ca 0.12 0.79 -0.07 0.00 0.00 0.00 0.00 60.65 61.49 1vi8 s ILE 135 Cb -0.10 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1vi8 s ILE 135 CO 0.01 0.10 0.04 -0.76 0.00 0.00 0.00 174.94 174.34 1vi8 s LEU 136 N 2.24 3.68 0.00 2.97 1.43 0.37 -4.86 118.68 124.51 1vi8 s LEU 136 Ca 0.19 0.02 0.10 0.00 -1.03 0.00 0.00 54.13 53.41 1vi8 s LEU 136 Cb -0.16 -1.93 0.57 0.00 0.03 0.00 0.00 46.19 44.71 1vi8 s LEU 136 CO 0.09 0.16 1.02 -0.62 0.23 0.00 0.00 176.35 177.23