#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 4.98 0.23 1.04 2.96 -1.26 -3.90 118.68 122.72 1vi8 s LEU 1 Ca 0.00 -1.02 0.17 0.00 -0.22 0.00 0.00 54.13 53.06 1vi8 s LEU 1 Cb 0.00 -2.43 0.03 0.00 0.50 0.00 0.00 46.19 44.29 1vi8 s LEU 1 CO 0.00 -1.02 1.24 0.16 -1.32 0.00 0.00 176.35 175.40 1vi8 h ILE 2 N 5.90 0.54 -3.70 6.68 3.07 -1.86 -3.47 117.51 124.67 1vi8 h ILE 2 Ca -0.28 -1.84 -0.52 0.00 1.55 0.00 0.00 64.86 63.77 1vi8 h ILE 2 Cb 1.09 2.14 0.05 0.00 -0.27 0.00 0.00 36.82 39.83 1vi8 h ILE 2 CO 1.03 0.31 0.64 0.26 -1.05 0.00 0.00 178.15 179.33 1vi8 s TRP 3 N -3.03 3.15 -0.76 0.16 0.23 -1.26 -4.62 118.94 112.81 1vi8 s TRP 3 Ca 0.02 1.35 0.06 0.00 -2.03 0.00 0.00 56.10 55.50 1vi8 s TRP 3 Cb 0.08 -3.64 0.07 0.00 0.03 0.00 0.00 33.47 30.01 1vi8 s TRP 3 CO 0.76 -1.82 0.77 1.63 0.96 0.00 0.00 176.95 179.25 1vi8 n LYS 4 N 1.45 0.36 -4.40 4.98 5.02 0.56 -4.96 118.16 121.17 1vi8 n LYS 4 Ca 0.02 -1.03 -0.19 0.00 -2.02 0.00 0.00 58.31 55.09 1vi8 n LYS 4 Cb 0.42 -1.13 -0.14 0.00 -0.02 0.00 0.00 35.03 34.16 1vi8 n LYS 4 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1vi8 s ARG 5 N -0.60 0.83 0.04 1.97 0.52 -0.71 -4.77 118.95 116.23 1vi8 s ARG 5 Ca 0.08 -0.45 -0.02 0.00 -0.52 0.00 0.00 55.73 54.83 1vi8 s ARG 5 Cb 0.06 -0.80 -0.04 0.00 0.52 0.00 0.00 34.95 34.68 1vi8 s ARG 5 CO 0.08 0.21 0.22 0.21 0.02 0.00 0.00 175.30 176.05 1vi8 s LYS 6 N -0.45 3.47 -0.11 3.54 2.20 -1.26 -4.94 119.74 122.18 1vi8 s LYS 6 Ca 0.03 -0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 55.00 1vi8 s LYS 6 Cb -0.05 -3.04 0.12 0.00 -1.51 0.00 0.00 37.83 33.35 1vi8 s LYS 6 CO -0.00 0.62 0.96 -1.50 -0.36 0.00 0.00 175.35 175.07 1vi8 s ILE 7 N -1.45 0.00 0.22 5.43 2.07 -1.26 -5.17 121.20 121.04 1vi8 s ILE 7 Ca 0.33 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.61 1vi8 s ILE 7 Cb -0.13 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.43 1vi8 s ILE 7 CO 0.24 0.00 0.34 0.42 -1.91 0.00 0.00 174.94 174.03 1vi8 s THR 8 N -1.68 5.25 0.25 4.00 -4.23 -1.26 -5.00 115.64 112.97 1vi8 s THR 8 Ca -0.00 -0.94 -0.04 0.00 -1.18 0.00 0.00 61.69 59.53 1vi8 s THR 8 Cb -0.01 -3.82 0.23 0.00 1.34 0.00 0.00 72.50 70.24 1vi8 s THR 8 CO -0.01 -0.28 1.86 -0.07 -0.54 0.00 0.00 174.62 175.58 1vi8 h LEU 9 N 1.39 0.89 -0.58 4.79 3.38 -1.99 -1.29 115.31 121.90 1vi8 h LEU 9 Ca -0.51 0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.52 1vi8 h LEU 9 Cb 1.22 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 1vi8 h LEU 9 CO 0.63 0.57 0.31 -0.33 0.09 0.00 0.00 178.44 179.70 1vi8 h GLU 10 N 1.02 0.57 -0.27 1.13 3.07 -1.95 0.65 114.58 118.81 1vi8 h GLU 10 Ca 0.39 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 1vi8 h GLU 10 Cb 0.18 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1vi8 h GLU 10 CO -0.18 0.38 0.12 0.00 -1.40 0.00 0.00 179.01 177.94 1vi8 h ALA 11 N 1.31 0.35 0.46 3.43 0.00 -1.72 -1.26 119.26 121.83 1vi8 h ALA 11 Ca 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1vi8 h ALA 11 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1vi8 h ALA 11 CO -0.17 -0.08 -0.41 -0.07 0.00 0.00 0.00 179.25 178.52 1vi8 h LEU 12 N 0.29 -1.11 -1.42 0.00 3.38 -0.50 -2.98 115.31 112.97 1vi8 h LEU 12 Ca 0.09 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1vi8 h LEU 12 Cb 0.13 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1vi8 h LEU 12 CO -0.01 -0.58 0.42 0.78 0.09 0.00 0.00 178.44 179.14 1vi8 h ASN 13 N -0.88 0.65 0.33 -0.43 2.35 -0.87 -1.46 115.58 115.27 1vi8 h ASN 13 Ca -0.05 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1vi8 h ASN 13 Cb 0.77 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 1vi8 h ASN 13 CO -0.04 0.45 -0.02 0.00 -1.65 0.00 0.00 177.43 176.17 1vi8 h ALA 14 N 1.63 1.08 -0.34 -0.83 0.00 -1.07 -2.25 119.26 117.47 1vi8 h ALA 14 Ca 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1vi8 h ALA 14 Cb 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1vi8 h ALA 14 CO -0.07 0.02 0.15 0.52 0.00 0.00 0.00 179.25 179.88 1vi8 h MET 15 N 0.00 0.47 0.00 0.00 2.86 -1.19 -2.85 114.93 114.22 1vi8 h MET 15 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1vi8 h MET 15 Cb 0.19 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1vi8 h MET 15 CO 0.00 0.38 0.00 0.78 1.06 0.00 0.00 176.91 179.13 1vi8 h GLY 16 N 0.60 0.00 -5.71 8.32 0.00 -1.55 -3.45 103.07 101.28 1vi8 h GLY 16 Ca 0.12 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.79 1vi8 h GLY 16 CO -0.02 0.00 0.83 1.18 0.00 0.00 0.00 176.54 178.53 1vi8 n GLU 17 N -2.76 1.61 -0.81 4.80 1.02 -1.08 -0.62 120.64 122.80 1vi8 n GLU 17 Ca 0.03 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1vi8 n GLU 17 Cb 0.36 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 1vi8 n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vi8 n GLY 18 N 3.69 0.82 3.36 0.62 0.00 -1.26 -4.97 105.19 107.45 1vi8 n GLY 18 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.73 1.69 0.32 1.61 2.20 0.21 -5.04 114.94 113.19 1vi8 s ASN 19 Ca 0.00 -1.54 0.10 0.00 -0.94 0.00 0.00 52.86 50.48 1vi8 s ASN 19 Cb 0.00 0.34 0.97 0.00 -2.00 0.00 0.00 41.25 40.56 1vi8 s ASN 19 CO 0.00 -0.86 1.64 -0.03 -2.94 0.00 0.00 177.10 174.92 1vi8 h MET 20 N 2.18 0.23 -0.32 3.55 1.85 -1.96 -1.41 114.93 119.06 1vi8 h MET 20 Ca -0.35 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.73 1vi8 h MET 20 Cb 1.25 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 33.21 1vi8 h MET 20 CO 0.54 0.15 0.21 0.28 -0.40 0.00 0.00 176.91 177.69 1vi8 h VAL 21 N 0.24 1.08 -0.15 -5.77 2.07 -1.96 -2.10 116.25 109.66 1vi8 h VAL 21 Ca 0.68 -0.16 -0.15 0.00 0.82 0.00 0.00 66.70 67.89 1vi8 h VAL 21 Cb 1.52 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1vi8 h VAL 21 CO -0.66 0.08 -0.54 1.23 0.02 0.00 0.00 177.57 177.70 1vi8 h GLY 22 N 0.43 0.47 2.00 2.17 0.00 -0.90 -2.25 103.07 104.98 1vi8 h GLY 22 Ca 0.12 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1vi8 h GLY 22 CO -0.02 0.48 0.00 0.69 0.00 0.00 0.00 176.54 177.69 1vi8 n PHE 23 N -3.95 0.50 -0.29 5.60 3.72 -0.77 -2.21 117.46 120.07 1vi8 n PHE 23 Ca -0.03 0.17 0.08 0.00 -0.05 0.00 0.00 57.45 57.63 1vi8 n PHE 23 Cb 0.59 -0.77 0.24 0.00 -0.94 0.00 0.00 39.48 38.59 1vi8 n PHE 23 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1vi8 n LEU 24 N -1.93 3.45 -3.87 4.37 4.77 -0.82 -4.97 117.00 118.01 1vi8 n LEU 24 Ca 0.04 -2.02 -0.28 0.00 -0.03 0.00 0.00 56.01 53.73 1vi8 n LEU 24 Cb 0.30 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1vi8 n LEU 24 CO 0.23 0.85 0.02 -0.67 -1.33 0.00 0.00 177.39 176.50 1vi8 n ASP 25 N 1.03 -3.32 -4.63 -1.43 4.64 -0.94 -4.23 116.55 107.68 1vi8 n ASP 25 Ca 0.18 -0.82 -0.43 0.00 -1.38 0.00 0.00 54.79 52.34 1vi8 n ASP 25 Cb 0.53 -3.82 -0.03 0.00 -1.04 0.00 0.00 41.12 36.76 1vi8 n ASP 25 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1vi8 s ILE 26 N -3.46 4.56 -0.15 5.18 1.01 -0.85 -4.33 121.20 123.16 1vi8 s ILE 26 Ca 0.42 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.62 1vi8 s ILE 26 Cb -0.21 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 37.90 1vi8 s ILE 26 CO 0.83 -0.47 -0.18 -0.60 0.00 0.00 0.00 174.94 174.52 1vi8 s ARG 27 N 3.54 3.13 0.21 2.79 3.52 0.44 -4.78 118.95 127.80 1vi8 s ARG 27 Ca 0.42 -0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 54.93 1vi8 s ARG 27 Cb -0.12 -2.54 -0.09 0.00 -1.56 0.00 0.00 34.95 30.64 1vi8 s ARG 27 CO 0.16 0.00 1.22 -0.06 -0.81 0.00 0.00 175.30 175.81 1vi8 s PHE 28 N 0.81 3.38 0.00 5.12 0.40 -1.26 -0.12 117.98 126.31 1vi8 s PHE 28 Ca -0.06 1.41 0.00 0.00 -0.60 0.00 0.00 56.93 57.68 1vi8 s PHE 28 Cb -0.15 -3.47 0.00 0.00 0.51 0.00 0.00 43.02 39.91 1vi8 s PHE 28 CO -0.01 -1.32 0.24 0.39 0.70 0.00 0.00 175.22 175.22 1vi8 n GLU 29 N 2.22 0.06 -3.57 0.44 1.02 0.10 -4.91 120.64 115.99 1vi8 n GLU 29 Ca 0.04 -0.24 -0.02 0.00 -0.02 0.00 0.00 57.16 56.92 1vi8 n GLU 29 Cb 0.44 -0.71 -0.05 0.00 -0.02 0.00 0.00 31.44 31.10 1vi8 n GLU 29 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1vi8 s HIS 30 N -0.08 -0.79 -0.45 -0.32 5.04 -1.02 -4.97 115.29 112.69 1vi8 s HIS 30 Ca 0.00 1.48 0.01 0.00 -1.54 0.00 0.00 55.06 55.01 1vi8 s HIS 30 Cb 0.00 0.48 0.12 0.00 0.04 0.00 0.00 32.58 33.22 1vi8 s HIS 30 CO 0.00 -0.39 0.21 0.42 -2.34 0.00 0.00 174.74 172.63 1vi8 s ILE 31 N 1.97 2.84 0.07 0.89 1.01 -1.26 -1.36 121.20 125.35 1vi8 s ILE 31 Ca -0.07 -2.65 -0.00 0.00 0.00 0.00 0.00 60.65 57.93 1vi8 s ILE 31 Cb -0.06 -2.97 0.01 0.00 0.01 0.00 0.00 42.46 39.45 1vi8 s ILE 31 CO -0.17 -0.72 0.09 0.61 0.00 0.00 0.00 174.94 174.75 1vi8 n GLY 32 N 3.89 0.57 0.33 6.18 0.00 -0.34 -5.00 105.19 110.83 1vi8 n GLY 32 Ca 0.04 -1.93 -0.06 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.06 1.06 -0.11 1.61 3.45 -1.99 -3.36 116.42 117.03 1vi8 h ASP 33 Ca -0.03 -0.18 -0.18 0.00 0.43 0.00 0.00 57.03 57.07 1vi8 h ASP 33 Cb 0.11 -0.28 -0.32 0.00 -0.56 0.00 0.00 39.33 38.28 1vi8 h ASP 33 CO 0.03 0.96 -0.84 -0.90 -1.57 0.00 0.00 179.24 176.92 1vi8 n ASP 34 N -4.27 0.52 -3.81 6.45 3.85 -1.25 -2.45 116.55 115.59 1vi8 n ASP 34 Ca 0.06 -2.03 -0.12 0.00 -0.71 0.00 0.00 54.79 52.00 1vi8 n ASP 34 Cb 0.21 -0.13 -0.09 0.00 -1.35 0.00 0.00 41.12 39.75 1vi8 n ASP 34 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1vi8 s THR 35 N -0.95 0.08 -0.04 2.12 -4.23 -1.26 -4.20 115.64 107.16 1vi8 s THR 35 Ca 0.23 -0.63 -0.00 0.00 -1.18 0.00 0.00 61.69 60.12 1vi8 s THR 35 Cb 0.31 -0.62 0.03 0.00 1.34 0.00 0.00 72.50 73.56 1vi8 s THR 35 CO -0.10 -0.34 0.01 -0.22 -0.54 0.00 0.00 174.62 173.43 1vi8 s LEU 36 N -1.51 0.93 -0.06 4.79 2.96 -0.68 -1.19 118.68 123.91 1vi8 s LEU 36 Ca -0.12 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 1vi8 s LEU 36 Cb -0.05 -0.22 0.00 0.00 0.50 0.00 0.00 46.19 46.41 1vi8 s LEU 36 CO 0.02 -0.14 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.11 1vi8 s GLU 37 N 1.32 2.15 0.07 1.98 2.02 -0.47 -0.99 118.70 124.79 1vi8 s GLU 37 Ca -0.06 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.30 1vi8 s GLU 37 Cb -0.13 -1.77 -0.03 0.00 0.10 0.00 0.00 34.13 32.30 1vi8 s GLU 37 CO -0.02 0.20 -0.09 0.00 0.02 0.00 0.00 175.26 175.37 1vi8 s ALA 38 N 0.22 0.86 0.26 5.21 0.00 -1.04 0.01 121.76 127.28 1vi8 s ALA 38 Ca -0.10 -1.02 0.11 0.00 0.00 0.00 0.00 51.96 50.95 1vi8 s ALA 38 Cb -0.14 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 1vi8 s ALA 38 CO 0.04 -0.05 -0.11 0.95 0.00 0.00 0.00 175.76 176.60 1vi8 s THR 39 N -2.09 2.95 -0.06 0.00 -4.23 0.83 -0.91 115.64 112.13 1vi8 s THR 39 Ca -0.01 -2.12 -0.06 0.00 -1.18 0.00 0.00 61.69 58.32 1vi8 s THR 39 Cb -0.05 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.26 1vi8 s THR 39 CO -0.01 -0.35 0.17 -0.32 -0.54 0.00 0.00 174.62 173.57 1vi8 s MET 40 N -3.49 0.20 0.42 3.99 0.00 -0.61 -0.42 119.30 119.40 1vi8 s MET 40 Ca 0.30 0.22 -0.22 0.00 0.00 0.00 0.00 55.69 55.98 1vi8 s MET 40 Cb -0.06 0.10 -0.09 0.00 0.00 0.00 0.00 34.83 34.77 1vi8 s MET 40 CO 0.17 -0.03 1.02 -1.25 0.00 0.00 0.00 175.02 174.93 1vi8 s PRO 41 N 0.05 4.11 -0.78 4.11 0.04 -1.26 -0.51 135.00 140.76 1vi8 s PRO 41 Ca -0.00 1.38 -0.09 0.00 0.04 0.00 0.00 61.00 62.32 1vi8 s PRO 41 Cb -0.01 -2.36 0.20 0.00 0.04 0.00 0.00 34.50 32.37 1vi8 s PRO 41 CO 0.00 -0.17 0.67 0.08 0.04 0.00 0.00 177.00 177.63 1vi8 s VAL 42 N -1.85 4.89 0.00 -0.36 1.01 -0.10 -4.68 120.40 119.31 1vi8 s VAL 42 Ca 0.61 -2.80 0.00 0.00 0.00 0.00 0.00 61.98 59.79 1vi8 s VAL 42 Cb -0.18 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1vi8 s VAL 42 CO 0.22 -0.99 0.00 -0.90 0.00 0.00 0.00 175.10 173.43 1vi8 n ASP 43 N 3.61 0.00 0.27 3.32 3.85 -1.26 -4.43 116.55 121.91 1vi8 n ASP 43 Ca 0.13 -0.74 0.16 0.00 -0.71 0.00 0.00 54.79 53.63 1vi8 n ASP 43 Cb 0.43 0.00 0.79 0.00 -1.35 0.00 0.00 41.12 40.99 1vi8 n ASP 43 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1vi8 h SER 44 N 0.00 0.00 1.75 -1.12 4.64 -1.94 0.40 113.55 117.28 1vi8 h SER 44 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1vi8 h SER 44 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1vi8 h SER 44 CO 0.00 0.00 -0.21 0.03 -0.87 0.00 0.00 176.83 175.78 1vi8 h ARG 45 N 0.00 0.00 0.00 4.77 3.08 -1.95 -3.36 114.38 116.92 1vi8 h ARG 45 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1vi8 h ARG 45 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1vi8 h ARG 45 CO -0.00 0.21 -0.12 0.25 -1.07 0.00 0.00 179.97 179.24 1vi8 n THR 46 N -3.16 1.01 -4.07 2.04 -2.24 0.13 -5.05 114.28 102.95 1vi8 n THR 46 Ca 0.03 -1.18 -0.31 0.00 -2.27 0.00 0.00 64.05 60.33 1vi8 n THR 46 Cb 0.61 0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 69.02 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 -1.44 2.90 0.73 -0.78 1.02 -0.56 0.01 119.74 121.62 1vi8 s LYS 47 Ca 0.14 -0.66 -0.08 0.00 0.02 0.00 0.00 55.97 55.38 1vi8 s LYS 47 Cb 0.12 -2.74 0.16 0.00 -0.52 0.00 0.00 37.83 34.85 1vi8 s LYS 47 CO 0.01 0.58 0.99 0.00 -0.92 0.00 0.00 175.35 176.01 1vi8 n GLN 48 N 0.59 -0.60 0.30 1.68 -0.00 0.42 -4.65 117.38 115.12 1vi8 n GLN 48 Ca -0.09 -1.97 0.18 0.00 -0.00 0.00 0.00 57.00 55.11 1vi8 n GLN 48 Cb 0.52 -0.88 0.90 0.00 -0.00 0.00 0.00 30.24 30.78 1vi8 n GLN 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 1vi8 h PRO 49 N 0.00 0.00 -0.75 2.61 0.11 -2.00 -3.08 132.00 128.89 1vi8 h PRO 49 Ca -0.32 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.44 1vi8 h PRO 49 Cb 1.01 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.91 1vi8 h PRO 49 CO 0.27 0.00 0.36 1.19 -0.21 0.00 0.00 178.00 179.61 1vi8 n PHE 50 N -3.09 2.35 -1.03 0.65 3.01 -1.26 -4.93 117.46 113.16 1vi8 n PHE 50 Ca -0.01 -1.60 -0.01 0.00 1.01 0.00 0.00 57.45 56.84 1vi8 n PHE 50 Cb 0.33 -0.75 -0.00 0.00 -0.01 0.00 0.00 39.48 39.04 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 -0.89 0.48 3.50 1.37 0.00 -1.16 -5.04 105.19 103.45 1vi8 n GLY 51 Ca 0.47 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.22 2.69 -0.03 0.99 1.43 -1.26 -4.69 118.68 117.59 1vi8 s LEU 52 Ca 0.00 -0.79 -0.36 0.00 -1.03 0.00 0.00 54.13 51.95 1vi8 s LEU 52 Cb 0.00 -1.35 -0.14 0.00 0.03 0.00 0.00 46.19 44.72 1vi8 s LEU 52 CO 0.00 0.09 1.66 -0.11 0.23 0.00 0.00 176.35 178.22 1vi8 n LEU 53 N -0.06 2.73 -4.73 1.79 7.94 0.10 -0.44 117.00 124.34 1vi8 n LEU 53 Ca -0.10 1.05 -0.41 0.00 -1.11 0.00 0.00 56.01 55.44 1vi8 n LEU 53 Cb 0.57 -1.29 -0.03 0.00 0.53 0.00 0.00 43.42 43.19 1vi8 n LEU 53 CO 0.34 -0.41 0.98 -2.28 -1.11 0.00 0.00 177.39 174.90 1vi8 s HIS 54 N 2.39 3.28 0.40 1.96 5.65 0.10 -4.66 115.29 124.41 1vi8 s HIS 54 Ca 0.89 1.21 0.11 0.00 0.25 0.00 0.00 55.06 57.52 1vi8 s HIS 54 Cb -0.83 -3.58 0.91 0.00 -1.18 0.00 0.00 32.58 27.89 1vi8 s HIS 54 CO 0.50 -1.84 1.95 0.78 -0.65 0.00 0.00 174.74 175.49 1vi8 h GLY 55 N 5.63 0.81 1.81 1.59 0.00 -1.90 -0.61 103.07 110.39 1vi8 h GLY 55 Ca -0.44 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 46.57 1vi8 h GLY 55 CO 0.78 0.14 -0.33 -1.33 0.00 0.00 0.00 176.54 175.79 1vi8 h GLY 56 N 0.56 0.24 1.04 4.60 0.00 -1.95 -2.64 103.07 104.92 1vi8 h GLY 56 Ca 0.32 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.39 1vi8 h GLY 56 CO -0.11 0.18 0.19 0.00 0.00 0.00 0.00 176.54 176.81 1vi8 h ALA 57 N 1.46 0.88 -0.92 3.60 0.00 -1.41 0.02 119.26 122.89 1vi8 h ALA 57 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1vi8 h ALA 57 Cb 0.69 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1vi8 h ALA 57 CO 0.05 0.58 0.61 0.77 0.00 0.00 0.00 179.25 181.26 1vi8 h SER 58 N 0.99 1.05 -0.03 0.00 0.02 -1.25 -1.07 113.55 113.25 1vi8 h SER 58 Ca 0.21 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.01 1vi8 h SER 58 Cb 0.33 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1vi8 h SER 58 CO -0.00 0.75 -0.41 0.58 -1.14 0.00 0.00 176.83 176.61 1vi8 h VAL 59 N 1.23 1.30 -0.50 2.27 2.07 -1.10 -0.50 116.25 121.02 1vi8 h VAL 59 Ca 0.34 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 66.30 1vi8 h VAL 59 Cb -0.12 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1vi8 h VAL 59 CO -0.08 0.49 0.32 0.58 0.02 0.00 0.00 177.57 178.90 1vi8 h VAL 60 N 0.45 1.09 -0.63 2.57 2.07 -0.14 0.16 116.25 121.81 1vi8 h VAL 60 Ca 0.04 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 1vi8 h VAL 60 Cb 0.90 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1vi8 h VAL 60 CO 0.08 0.12 0.09 0.25 0.02 0.00 0.00 177.57 178.12 1vi8 h LEU 61 N 0.64 1.00 -0.26 2.57 5.85 -0.97 -0.42 115.31 123.73 1vi8 h LEU 61 Ca 0.19 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1vi8 h LEU 61 Cb -0.03 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1vi8 h LEU 61 CO -0.07 1.01 -0.07 0.00 -0.34 0.00 0.00 178.44 178.97 1vi8 h ALA 62 N 1.11 0.36 0.00 1.25 0.00 -0.44 -2.37 119.26 119.16 1vi8 h ALA 62 Ca 0.19 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1vi8 h ALA 62 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1vi8 h ALA 62 CO 0.01 0.17 -0.36 1.49 0.00 0.00 0.00 179.25 180.56 1vi8 h GLU 63 N 0.25 0.00 -0.06 0.00 4.81 -0.62 -0.52 114.58 118.44 1vi8 h GLU 63 Ca 0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1vi8 h GLU 63 Cb 0.55 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 1vi8 h GLU 63 CO 0.03 0.36 -0.01 0.77 -0.73 0.00 0.00 179.01 179.43 1vi8 h SER 64 N 0.00 0.11 -0.11 1.04 0.02 -0.93 -1.05 113.55 112.63 1vi8 h SER 64 Ca -0.00 -0.36 -0.22 0.00 -0.84 0.00 0.00 61.79 60.36 1vi8 h SER 64 Cb 0.84 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.36 1vi8 h SER 64 CO 0.05 0.45 -0.79 0.40 -1.14 0.00 0.00 176.83 175.79 1vi8 h ILE 65 N -0.22 1.28 -0.51 3.27 2.04 -1.39 -3.17 117.51 118.81 1vi8 h ILE 65 Ca 0.02 -2.00 -0.06 0.00 1.00 0.00 0.00 64.86 63.81 1vi8 h ILE 65 Cb 0.40 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 1vi8 h ILE 65 CO 0.01 0.63 0.05 1.23 0.00 0.00 0.00 178.15 180.07 1vi8 h GLY 66 N 0.61 0.88 0.94 5.37 0.00 -1.12 -2.20 103.07 107.56 1vi8 h GLY 66 Ca -0.06 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.65 1vi8 h GLY 66 CO 0.16 0.52 -0.04 1.76 0.00 0.00 0.00 176.54 178.94 1vi8 h SER 67 N 0.78 0.68 -0.38 0.19 0.02 -1.23 -1.52 113.55 112.09 1vi8 h SER 67 Ca 0.16 -0.34 -0.13 0.00 -0.84 0.00 0.00 61.79 60.65 1vi8 h SER 67 Cb 0.39 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1vi8 h SER 67 CO 0.01 0.86 -0.25 -0.37 -1.14 0.00 0.00 176.83 175.94 1vi8 h VAL 68 N 0.50 1.28 -0.11 2.27 -1.51 -1.53 -2.42 116.25 114.73 1vi8 h VAL 68 Ca 0.10 -1.40 0.03 0.00 -1.23 0.00 0.00 66.70 64.19 1vi8 h VAL 68 Cb 0.53 1.35 -0.03 0.00 -2.13 0.00 0.00 31.29 31.01 1vi8 h VAL 68 CO 0.03 0.47 -0.05 0.00 -1.23 0.00 0.00 177.57 176.78 1vi8 h ALA 69 N 0.79 0.04 -0.96 5.19 0.00 -1.36 0.26 119.26 123.22 1vi8 h ALA 69 Ca 0.08 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1vi8 h ALA 69 Cb 0.82 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1vi8 h ALA 69 CO 0.07 -0.51 0.62 0.78 0.00 0.00 0.00 179.25 180.21 1vi8 h GLY 70 N -0.04 1.45 0.76 0.00 0.00 -1.23 -2.29 103.07 101.72 1vi8 h GLY 70 Ca 0.06 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1vi8 h GLY 70 CO -0.14 0.26 -0.06 -1.82 0.00 0.00 0.00 176.54 174.79 1vi8 h TYR 71 N 1.04 0.37 0.00 5.60 3.20 -0.80 -2.81 116.97 123.57 1vi8 h TYR 71 Ca 0.43 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.22 1vi8 h TYR 71 Cb 0.30 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1vi8 h TYR 71 CO -0.00 0.62 0.01 -0.07 -1.64 0.00 0.00 178.16 177.08 1vi8 h LEU 72 N 0.01 0.00 -1.76 2.82 3.38 0.01 0.12 115.31 119.88 1vi8 h LEU 72 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1vi8 h LEU 72 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1vi8 h LEU 72 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1vi8 s THR 74 N -1.69 3.20 0.33 0.00 -4.23 0.03 -4.51 115.64 108.77 1vi8 s THR 74 Ca 0.35 -1.58 0.09 0.00 -1.18 0.00 0.00 61.69 59.38 1vi8 s THR 74 Cb 0.20 -3.05 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 1vi8 s THR 74 CO 0.30 -0.18 -0.03 -1.61 -0.54 0.00 0.00 174.62 172.56 1vi8 s GLU 75 N -3.90 2.01 2.78 3.99 2.02 -1.26 -4.32 118.70 120.02 1vi8 s GLU 75 Ca 0.39 -1.76 0.00 0.00 0.02 0.00 0.00 54.97 53.62 1vi8 s GLU 75 Cb -0.04 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.30 1vi8 s GLU 75 CO 0.24 0.17 0.00 0.41 0.02 0.00 0.00 175.26 176.10 1vi8 n GLY 76 N -0.89 2.91 0.59 -1.39 0.00 -1.26 -0.90 105.19 104.25 1vi8 n GLY 76 Ca -0.05 0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.17 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 1.75 -1.18 1.61 -0.58 -1.26 -4.91 120.64 130.08 1vi8 n GLU 77 Ca 0.00 -1.16 -0.29 0.00 -0.42 0.00 0.00 57.16 55.29 1vi8 n GLU 77 Cb 0.00 -1.29 0.16 0.00 -0.57 0.00 0.00 31.44 29.74 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 -1.61 0.76 0.09 3.49 -0.21 -0.08 -4.80 119.66 117.31 1vi8 s GLN 78 Ca 0.24 0.65 -0.27 0.00 0.02 0.00 0.00 55.36 56.01 1vi8 s GLN 78 Cb 0.13 -1.77 0.08 0.00 1.00 0.00 0.00 33.01 32.45 1vi8 s GLN 78 CO 0.18 -2.54 0.98 -1.59 -2.12 0.00 0.00 175.29 170.20 1vi8 s LYS 79 N -4.95 1.00 0.29 2.91 -2.85 -0.83 -4.78 119.74 110.53 1vi8 s LYS 79 Ca 0.65 -0.52 0.10 0.00 -1.00 0.00 0.00 55.97 55.20 1vi8 s LYS 79 Cb -0.18 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 35.91 1vi8 s LYS 79 CO 0.57 -0.46 -0.06 0.14 0.10 0.00 0.00 175.35 175.65 1vi8 s VAL 80 N -3.14 2.97 -0.04 1.79 -7.23 -1.26 0.67 120.40 114.16 1vi8 s VAL 80 Ca 0.11 -2.07 -0.01 0.00 -1.81 0.00 0.00 61.98 58.19 1vi8 s VAL 80 Cb -0.01 -2.67 0.03 0.00 0.56 0.00 0.00 36.38 34.29 1vi8 s VAL 80 CO -0.01 -0.34 0.08 0.54 -0.31 0.00 0.00 175.10 175.05 1vi8 s VAL 81 N -2.43 -0.09 0.30 1.32 0.11 -0.77 -4.93 120.40 113.91 1vi8 s VAL 81 Ca 0.32 0.28 -0.30 0.00 -2.93 0.00 0.00 61.98 59.35 1vi8 s VAL 81 Cb -0.05 -0.15 -0.11 0.00 -1.53 0.00 0.00 36.38 34.54 1vi8 s VAL 81 CO 0.18 0.11 1.53 -0.83 -3.33 0.00 0.00 175.10 172.77 1vi8 s GLY 82 N 1.49 2.33 -0.04 6.54 0.00 -1.26 -1.98 107.32 114.40 1vi8 s GLY 82 Ca -0.04 1.51 -0.08 0.00 0.00 0.00 0.00 44.72 46.11 1vi8 s GLY 82 CO -0.04 2.42 -0.15 1.04 0.00 0.00 0.00 173.10 176.37 1vi8 n LEU 83 N 1.88 1.38 -4.03 0.66 4.77 0.08 -4.92 117.00 116.82 1vi8 n LEU 83 Ca 0.06 0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 56.10 1vi8 n LEU 83 Cb 0.38 -0.49 -0.13 0.00 -2.33 0.00 0.00 43.42 40.85 1vi8 n LEU 83 CO 0.63 -0.43 -0.41 -0.70 -1.33 0.00 0.00 177.39 175.15 1vi8 s GLU 84 N -2.37 0.56 -0.02 3.23 2.56 -1.04 -5.01 118.70 116.62 1vi8 s GLU 84 Ca -0.13 -0.49 -0.02 0.00 0.00 0.00 0.00 54.97 54.33 1vi8 s GLU 84 Cb 0.02 -0.46 0.00 0.00 2.00 0.00 0.00 34.13 35.69 1vi8 s GLU 84 CO 0.19 0.11 0.05 -1.50 -0.56 0.00 0.00 175.26 173.55 1vi8 s ILE 85 N -0.69 0.02 0.05 -3.70 1.10 -1.26 -0.44 121.20 116.27 1vi8 s ILE 85 Ca -0.02 -0.13 -0.08 0.00 -0.51 0.00 0.00 60.65 59.91 1vi8 s ILE 85 Cb -0.06 -0.12 -0.00 0.00 0.15 0.00 0.00 42.46 42.42 1vi8 s ILE 85 CO 0.00 -0.07 0.15 0.54 -2.11 0.00 0.00 174.94 173.45 1vi8 s ASN 86 N -0.20 0.11 -0.12 4.50 2.20 -0.90 -5.01 114.94 115.52 1vi8 s ASN 86 Ca -0.02 -0.50 -0.21 0.00 -0.94 0.00 0.00 52.86 51.18 1vi8 s ASN 86 Cb -0.02 0.28 0.05 0.00 -2.00 0.00 0.00 41.25 39.56 1vi8 s ASN 86 CO 0.00 -0.58 0.53 0.00 -2.94 0.00 0.00 177.10 174.11 1vi8 s ALA 87 N -2.91 -1.34 -0.23 3.54 0.00 -1.26 -1.34 121.76 118.21 1vi8 s ALA 87 Ca -0.02 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.11 1vi8 s ALA 87 Cb 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1vi8 s ALA 87 CO -0.06 -0.29 -0.04 -0.80 0.00 0.00 0.00 175.76 174.57 1vi8 s ASN 88 N -0.49 4.31 -0.53 0.00 -0.87 0.77 -4.96 114.94 113.17 1vi8 s ASN 88 Ca -0.06 -0.54 -0.23 0.00 -1.57 0.00 0.00 52.86 50.46 1vi8 s ASN 88 Cb -0.03 -1.72 0.04 0.00 -0.02 0.00 0.00 41.25 39.52 1vi8 s ASN 88 CO 0.04 -0.06 0.85 -1.00 -2.57 0.00 0.00 177.10 174.37 1vi8 s HIS 89 N 1.44 2.88 -0.08 2.20 3.76 -1.26 -1.68 115.29 122.54 1vi8 s HIS 89 Ca 0.04 -0.10 0.20 0.00 -0.15 0.00 0.00 55.06 55.05 1vi8 s HIS 89 Cb -0.15 -3.90 -0.30 0.00 1.11 0.00 0.00 32.58 29.34 1vi8 s HIS 89 CO -0.04 -1.23 0.45 1.33 -0.85 0.00 0.00 174.74 174.40 1vi8 n VAL 90 N 6.07 0.00 -3.66 -0.90 0.24 0.01 -4.98 118.33 115.11 1vi8 n VAL 90 Ca 0.00 -0.42 -0.11 0.00 -2.04 0.00 0.00 64.34 61.77 1vi8 n VAL 90 Cb 0.47 0.11 -0.08 0.00 -1.47 0.00 0.00 33.84 32.87 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 -3.32 0.68 0.64 7.34 3.52 -0.79 -4.98 118.95 122.04 1vi8 s ARG 91 Ca -0.06 1.00 -0.12 0.00 -0.13 0.00 0.00 55.73 56.42 1vi8 s ARG 91 Cb 0.13 0.22 -0.03 0.00 -1.56 0.00 0.00 34.95 33.71 1vi8 s ARG 91 CO 0.81 -0.12 1.04 -1.54 -0.81 0.00 0.00 175.30 174.68 1vi8 s SER 92 N 1.00 5.93 0.07 -2.12 1.04 -1.26 -4.48 113.70 113.88 1vi8 s SER 92 Ca -0.05 1.52 0.05 0.00 0.48 0.00 0.00 55.95 57.95 1vi8 s SER 92 Cb -0.05 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 1vi8 s SER 92 CO -0.09 -1.07 -0.14 0.00 0.98 0.00 0.00 173.24 172.92 1vi8 s ALA 93 N -3.05 1.14 0.00 5.32 0.00 -1.26 -5.00 121.76 118.90 1vi8 s ALA 93 Ca 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1vi8 s ALA 93 Cb -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1vi8 s ALA 93 CO 0.52 0.14 0.01 2.89 0.00 0.00 0.00 175.76 179.32 1vi8 n ARG 94 N 1.24 1.18 -3.94 0.00 1.85 -1.26 0.02 116.66 115.75 1vi8 n ARG 94 Ca -0.21 -0.01 -0.12 0.00 -1.00 0.00 0.00 57.85 56.51 1vi8 n ARG 94 Cb 0.54 -0.13 -0.00 0.00 -1.05 0.00 0.00 32.46 31.82 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 -0.17 2.15 3.77 2.89 -1.05 -1.26 -4.89 118.70 120.13 1vi8 s GLU 95 Ca 0.00 -1.65 0.00 0.00 -0.15 0.00 0.00 54.97 53.17 1vi8 s GLU 95 Cb 0.00 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 1vi8 s GLU 95 CO 0.00 -0.96 0.00 0.41 0.95 0.00 0.00 175.26 175.66 1vi8 n GLY 96 N -0.57 0.89 3.31 -3.83 0.00 -1.26 -4.66 105.19 99.07 1vi8 n GLY 96 Ca -0.04 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 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 1.21 0.15 1.61 0.52 -1.26 -0.93 118.95 120.25 1vi8 s ARG 97 Ca 0.00 -1.19 0.04 0.00 -0.52 0.00 0.00 55.73 54.06 1vi8 s ARG 97 Cb 0.00 -1.52 -0.04 0.00 0.52 0.00 0.00 34.95 33.91 1vi8 s ARG 97 CO 0.00 0.36 0.17 0.14 0.02 0.00 0.00 175.30 175.99 1vi8 s VAL 98 N -1.11 4.75 -0.14 3.52 -7.23 0.33 -3.60 120.40 116.93 1vi8 s VAL 98 Ca 0.08 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 1vi8 s VAL 98 Cb -0.10 -3.41 -0.01 0.00 0.56 0.00 0.00 36.38 33.42 1vi8 s VAL 98 CO 0.04 -0.07 -0.15 -0.60 -0.31 0.00 0.00 175.10 174.02 1vi8 s ARG 99 N -3.04 3.29 -0.26 4.82 3.52 0.19 -1.58 118.95 125.89 1vi8 s ARG 99 Ca 0.32 -0.72 -0.10 0.00 -0.13 0.00 0.00 55.73 55.10 1vi8 s ARG 99 Cb -0.11 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 1vi8 s ARG 99 CO 0.25 0.13 0.15 0.20 -0.81 0.00 0.00 175.30 175.21 1vi8 s GLY 100 N 0.56 1.90 -0.39 8.12 0.00 -0.08 0.22 107.32 117.64 1vi8 s GLY 100 Ca -0.09 -1.05 -0.11 0.00 0.00 0.00 0.00 44.72 43.47 1vi8 s GLY 100 CO 0.04 0.55 0.22 0.14 0.00 0.00 0.00 173.10 174.05 1vi8 s VAL 101 N 1.53 4.54 -0.18 1.40 1.01 0.13 -2.49 120.40 126.33 1vi8 s VAL 101 Ca 0.07 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 1vi8 s VAL 101 Cb -0.15 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1vi8 s VAL 101 CO 0.08 -0.30 0.18 0.00 0.00 0.00 0.00 175.10 175.05 1vi8 s LYS 103 N 0.31 0.26 0.12 0.00 1.02 0.39 -1.69 119.74 120.16 1vi8 s LYS 103 Ca 0.11 -0.46 -0.28 0.00 0.02 0.00 0.00 55.97 55.35 1vi8 s LYS 103 Cb -0.12 0.03 -0.06 0.00 -0.52 0.00 0.00 37.83 37.16 1vi8 s LYS 103 CO -0.00 -0.02 0.90 -1.25 -0.92 0.00 0.00 175.35 174.05 1vi8 s PRO 104 N -1.08 4.66 -0.07 -1.68 0.04 -1.26 -0.57 135.00 135.04 1vi8 s PRO 104 Ca -0.11 1.34 0.17 0.00 0.04 0.00 0.00 61.00 62.44 1vi8 s PRO 104 Cb -0.07 -3.35 -0.22 0.00 0.04 0.00 0.00 34.50 30.89 1vi8 s PRO 104 CO -0.01 0.30 0.48 1.28 0.04 0.00 0.00 177.00 179.09 1vi8 n LEU 105 N 2.53 0.46 -3.59 -3.56 4.77 0.01 -4.88 117.00 112.74 1vi8 n LEU 105 Ca 0.00 0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 56.17 1vi8 n LEU 105 Cb 0.49 0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.77 1vi8 n LEU 105 CO 0.50 0.32 0.58 -2.28 -1.33 0.00 0.00 177.39 175.17 1vi8 s HIS 106 N -2.75 -0.73 -0.38 -1.77 5.04 -0.97 -4.99 115.29 108.74 1vi8 s HIS 106 Ca -0.06 1.39 -0.04 0.00 -1.54 0.00 0.00 55.06 54.81 1vi8 s HIS 106 Cb 0.08 0.44 0.08 0.00 0.04 0.00 0.00 32.58 33.22 1vi8 s HIS 106 CO 0.83 -0.36 0.16 -0.51 -2.34 0.00 0.00 174.74 172.52 1vi8 s LEU 107 N 1.75 4.83 0.00 8.88 1.43 -1.26 -0.78 118.68 133.52 1vi8 s LEU 107 Ca -0.08 -1.68 0.04 0.00 -1.03 0.00 0.00 54.13 51.38 1vi8 s LEU 107 Cb -0.05 -1.83 0.04 0.00 0.03 0.00 0.00 46.19 44.38 1vi8 s LEU 107 CO -0.17 -0.46 0.32 0.61 0.23 0.00 0.00 176.35 176.89 1vi8 n GLY 108 N 4.68 2.01 0.13 -3.19 0.00 0.13 -5.02 105.19 103.93 1vi8 n GLY 108 Ca -0.07 -2.17 -0.19 0.00 0.00 0.00 0.00 46.02 43.58 1vi8 n GLY 108 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1vi8 h SER 109 N 0.05 0.40 0.00 1.61 0.87 -2.01 -3.39 113.55 111.08 1vi8 h SER 109 Ca -0.11 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 1vi8 h SER 109 Cb 0.51 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1vi8 h SER 109 CO 0.16 1.66 -1.15 -1.14 -0.53 0.00 0.00 176.83 175.83 1vi8 n ARG 110 N -3.44 1.38 -3.57 2.24 0.63 -1.26 -4.75 116.66 107.88 1vi8 n ARG 110 Ca -0.26 -0.06 -0.11 0.00 -0.92 0.00 0.00 57.85 56.50 1vi8 n ARG 110 Cb 1.05 -1.27 -0.04 0.00 0.45 0.00 0.00 32.46 32.66 1vi8 n ARG 110 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1vi8 s HIS 111 N -2.69 -0.30 0.10 -0.14 3.76 -1.26 -1.59 115.29 113.18 1vi8 s HIS 111 Ca 0.00 0.02 0.03 0.00 -0.15 0.00 0.00 55.06 54.96 1vi8 s HIS 111 Cb 0.10 0.34 -0.04 0.00 1.11 0.00 0.00 32.58 34.09 1vi8 s HIS 111 CO 0.61 -0.74 -0.08 -0.65 -0.85 0.00 0.00 174.74 173.03 1vi8 s GLN 112 N -3.75 0.84 -0.15 1.40 -0.21 -0.68 -0.69 119.66 116.43 1vi8 s GLN 112 Ca 0.02 -1.26 -0.02 0.00 0.02 0.00 0.00 55.36 54.12 1vi8 s GLN 112 Cb 0.01 -0.34 0.05 0.00 1.00 0.00 0.00 33.01 33.73 1vi8 s GLN 112 CO -0.12 0.02 0.02 0.08 -2.12 0.00 0.00 175.29 173.17 1vi8 s VAL 113 N -3.14 0.52 0.07 1.09 1.01 0.04 -0.56 120.40 119.43 1vi8 s VAL 113 Ca 0.09 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1vi8 s VAL 113 Cb 0.02 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1vi8 s VAL 113 CO -0.03 -0.01 -0.01 0.26 0.00 0.00 0.00 175.10 175.32 1vi8 s TRP 114 N 1.88 2.99 -0.10 5.22 0.52 0.23 -0.81 118.94 128.87 1vi8 s TRP 114 Ca 0.01 -0.01 0.03 0.00 0.02 0.00 0.00 56.10 56.15 1vi8 s TRP 114 Cb -0.15 -1.56 0.01 0.00 -1.15 0.00 0.00 33.47 30.62 1vi8 s TRP 114 CO -0.07 0.47 -0.21 -1.14 0.02 0.00 0.00 176.95 176.02 1vi8 s GLN 115 N -2.15 2.74 -0.11 4.98 0.74 0.26 0.16 119.66 126.28 1vi8 s GLN 115 Ca 0.24 -0.77 0.02 0.00 0.05 0.00 0.00 55.36 54.91 1vi8 s GLN 115 Cb -0.12 -2.14 0.01 0.00 1.10 0.00 0.00 33.01 31.86 1vi8 s GLN 115 CO 0.16 0.09 -0.19 0.42 -0.55 0.00 0.00 175.29 175.22 1vi8 s ILE 116 N 0.56 1.75 -0.19 -2.34 1.09 0.25 -0.46 121.20 121.87 1vi8 s ILE 116 Ca -0.14 -0.81 -0.04 0.00 -1.10 0.00 0.00 60.65 58.56 1vi8 s ILE 116 Cb -0.17 -1.56 -0.02 0.00 -1.06 0.00 0.00 42.46 39.65 1vi8 s ILE 116 CO 0.05 0.49 -0.03 -1.61 -0.10 0.00 0.00 174.94 173.74 1vi8 s GLU 117 N 0.76 3.54 -0.25 2.79 2.02 -0.12 -0.85 118.70 126.58 1vi8 s GLU 117 Ca -0.10 -0.57 -0.08 0.00 0.02 0.00 0.00 54.97 54.24 1vi8 s GLU 117 Cb -0.16 -2.99 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 1vi8 s GLU 117 CO 0.01 0.01 0.09 0.42 0.02 0.00 0.00 175.26 175.82 1vi8 s ILE 118 N 0.97 4.52 0.09 -1.63 1.01 0.15 0.18 121.20 126.48 1vi8 s ILE 118 Ca 0.00 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.63 1vi8 s ILE 118 Cb -0.15 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1vi8 s ILE 118 CO 0.01 0.32 -0.16 -0.36 0.00 0.00 0.00 174.94 174.76 1vi8 s PHE 119 N 1.62 2.60 0.84 3.97 0.40 0.13 -0.68 117.98 126.86 1vi8 s PHE 119 Ca 0.06 -0.23 -0.10 0.00 -0.60 0.00 0.00 56.93 56.06 1vi8 s PHE 119 Cb -0.15 -1.41 0.14 0.00 0.51 0.00 0.00 43.02 42.11 1vi8 s PHE 119 CO 0.05 0.36 1.17 0.16 0.70 0.00 0.00 175.22 177.66 1vi8 s ASP 120 N -1.94 3.92 0.07 1.36 3.84 -0.82 0.54 116.67 123.65 1vi8 s ASP 120 Ca 0.18 0.24 0.07 0.00 -0.00 0.00 0.00 52.55 53.04 1vi8 s ASP 120 Cb -0.11 -0.55 0.35 0.00 -1.38 0.00 0.00 42.92 41.24 1vi8 s ASP 120 CO 0.10 -2.20 1.22 -1.84 -0.00 0.00 0.00 175.17 172.45 1vi8 n GLU 121 N -3.33 0.04 -0.30 2.11 0.28 -1.24 -1.30 120.64 116.91 1vi8 n GLU 121 Ca 0.13 0.49 0.11 0.00 -0.16 0.00 0.00 57.16 57.73 1vi8 n GLU 121 Cb 0.60 -1.61 0.28 0.00 1.43 0.00 0.00 31.44 32.15 1vi8 n GLU 121 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1vi8 n LYS 122 N -1.68 2.53 -0.99 3.44 4.76 -1.26 -4.93 118.16 120.03 1vi8 n LYS 122 Ca 0.00 -2.37 0.00 0.00 -2.87 0.00 0.00 58.31 53.08 1vi8 n LYS 122 Cb 0.04 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 1vi8 n LYS 122 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vi8 n GLY 123 N 1.55 0.47 3.76 0.72 0.00 -0.42 -5.04 105.19 106.23 1vi8 n GLY 123 Ca 0.22 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.61 4.29 -0.08 1.61 0.52 -1.26 -4.85 118.95 118.58 1vi8 s ARG 124 Ca 0.00 0.65 -0.30 0.00 -0.52 0.00 0.00 55.73 55.56 1vi8 s ARG 124 Cb 0.00 -3.36 -0.05 0.00 0.52 0.00 0.00 34.95 32.06 1vi8 s ARG 124 CO 0.00 0.34 1.67 -1.17 0.02 0.00 0.00 175.30 176.15 1vi8 s LEU 125 N -0.05 4.23 -0.13 2.53 2.96 -1.26 -1.94 118.68 125.02 1vi8 s LEU 125 Ca 0.29 2.13 0.10 0.00 -0.22 0.00 0.00 54.13 56.43 1vi8 s LEU 125 Cb -0.17 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 42.84 1vi8 s LEU 125 CO 0.15 -1.01 0.01 0.00 -1.32 0.00 0.00 176.35 174.19 1vi8 s SER 128 N 0.97 3.72 0.08 0.00 0.15 -0.68 -0.68 113.70 117.26 1vi8 s SER 128 Ca -0.07 -0.46 0.04 0.00 0.70 0.00 0.00 55.95 56.17 1vi8 s SER 128 Cb -0.07 -1.58 -0.03 0.00 -1.71 0.00 0.00 66.02 62.63 1vi8 s SER 128 CO -0.07 0.08 -0.12 -0.55 1.20 0.00 0.00 173.24 173.79 1vi8 s SER 129 N 0.84 1.49 -0.07 5.45 0.15 -0.03 -0.17 113.70 121.35 1vi8 s SER 129 Ca -0.05 -0.69 0.03 0.00 0.70 0.00 0.00 55.95 55.94 1vi8 s SER 129 Cb -0.15 -0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.15 1vi8 s SER 129 CO -0.00 -0.17 -0.15 -0.13 1.20 0.00 0.00 173.24 173.99 1vi8 s ARG 130 N -2.18 1.98 -0.11 5.44 3.00 -0.45 -0.58 118.95 126.04 1vi8 s ARG 130 Ca 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 55.73 55.25 1vi8 s ARG 130 Cb -0.07 -1.59 0.00 0.00 0.00 0.00 0.00 34.95 33.29 1vi8 s ARG 130 CO 0.01 0.06 -0.23 -1.17 0.00 0.00 0.00 175.30 173.98 1vi8 s LEU 131 N 0.58 2.13 -0.25 2.53 2.96 0.12 -2.13 118.68 124.64 1vi8 s LEU 131 Ca -0.15 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.15 1vi8 s LEU 131 Cb -0.16 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 1vi8 s LEU 131 CO 0.05 0.14 0.01 -0.89 -1.32 0.00 0.00 176.35 174.34 1vi8 s THR 132 N 0.46 3.73 0.42 3.68 2.01 0.41 0.78 115.64 127.13 1vi8 s THR 132 Ca -0.15 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.44 1vi8 s THR 132 Cb -0.17 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1vi8 s THR 132 CO 0.06 0.32 0.19 0.42 -0.69 0.00 0.00 174.62 174.92 1vi8 s THR 133 N 1.51 2.29 -0.05 -0.82 -4.23 0.27 -0.74 115.64 113.87 1vi8 s THR 133 Ca 0.05 -1.68 0.01 0.00 -1.18 0.00 0.00 61.69 58.90 1vi8 s THR 133 Cb -0.15 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 70.74 1vi8 s THR 133 CO -0.00 0.00 -0.06 0.00 -0.54 0.00 0.00 174.62 174.02 1vi8 s ALA 134 N -2.60 0.81 -0.05 3.99 0.00 -0.84 -1.68 121.76 121.40 1vi8 s ALA 134 Ca 0.41 -0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 1vi8 s ALA 134 Cb 0.03 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1vi8 s ALA 134 CO 0.23 -0.02 0.99 0.42 0.00 0.00 0.00 175.76 177.37 1vi8 s ILE 135 N 0.94 4.84 0.15 0.00 1.01 -0.62 -1.85 121.20 125.66 1vi8 s ILE 135 Ca -0.11 2.04 0.07 0.00 0.00 0.00 0.00 60.65 62.65 1vi8 s ILE 135 Cb -0.14 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 1vi8 s ILE 135 CO 0.00 0.10 -0.03 -0.76 0.00 0.00 0.00 174.94 174.25 1vi8 s LEU 136 N 1.43 3.27 0.00 2.97 1.43 0.21 -4.86 118.68 123.13 1vi8 s LEU 136 Ca 0.50 -0.37 0.26 0.00 -1.03 0.00 0.00 54.13 53.49 1vi8 s LEU 136 Cb -0.20 -1.96 0.59 0.00 0.03 0.00 0.00 46.19 44.65 1vi8 s LEU 136 CO 0.24 0.12 1.49 -0.62 0.23 0.00 0.00 176.35 177.81