#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 3.56 -0.07 -3.43 2.96 -1.26 -3.68 118.68 116.75 1vi8 s LEU 1 Ca 0.00 0.98 0.18 0.00 -0.22 0.00 0.00 54.13 55.07 1vi8 s LEU 1 Cb 0.00 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.92 1vi8 s LEU 1 CO 0.00 -1.53 0.42 2.30 -1.32 0.00 0.00 176.35 176.22 1vi8 n ILE 2 N 7.19 1.00 -1.79 6.68 -5.35 -0.92 -4.95 119.36 121.22 1vi8 n ILE 2 Ca 0.19 -0.72 -0.41 0.00 -0.27 0.00 0.00 62.75 61.53 1vi8 n ILE 2 Cb 0.48 -0.46 -0.01 0.00 -1.74 0.00 0.00 39.64 37.91 1vi8 n ILE 2 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 1vi8 s TRP 3 N -2.88 2.66 -0.05 4.28 0.23 -1.26 -4.69 118.94 117.23 1vi8 s TRP 3 Ca -0.07 0.97 0.13 0.00 -2.03 0.00 0.00 56.10 55.10 1vi8 s TRP 3 Cb 0.09 -4.05 -0.20 0.00 0.03 0.00 0.00 33.47 29.33 1vi8 s TRP 3 CO 0.84 -3.31 0.24 1.63 0.96 0.00 0.00 176.95 177.31 1vi8 n LYS 4 N 1.30 0.79 -4.08 4.98 5.02 0.99 -4.97 118.16 122.18 1vi8 n LYS 4 Ca 0.05 -0.10 -0.28 0.00 -2.02 0.00 0.00 58.31 55.96 1vi8 n LYS 4 Cb 0.38 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.80 2.83 -0.26 1.97 0.52 -0.97 -4.93 118.95 115.31 1vi8 s ARG 5 Ca -0.05 -0.81 -0.04 0.00 -0.52 0.00 0.00 55.73 54.30 1vi8 s ARG 5 Cb 0.08 -2.65 0.01 0.00 0.52 0.00 0.00 34.95 32.91 1vi8 s ARG 5 CO 0.57 0.52 0.00 0.21 0.02 0.00 0.00 175.30 176.62 1vi8 s LYS 6 N -2.75 3.07 0.04 3.54 2.47 -1.26 -5.00 119.74 119.85 1vi8 s LYS 6 Ca 0.30 -0.85 0.04 0.00 -1.56 0.00 0.00 55.97 53.90 1vi8 s LYS 6 Cb -0.11 -3.16 -0.02 0.00 -1.46 0.00 0.00 37.83 33.08 1vi8 s LYS 6 CO 0.22 -0.37 -0.13 -1.50 0.16 0.00 0.00 175.35 173.73 1vi8 s ILE 7 N 1.43 1.02 0.54 5.43 1.10 -1.26 -5.15 121.20 124.32 1vi8 s ILE 7 Ca 0.02 -1.01 -0.05 0.00 -0.51 0.00 0.00 60.65 59.10 1vi8 s ILE 7 Cb -0.16 -0.95 -0.01 0.00 0.15 0.00 0.00 42.46 41.49 1vi8 s ILE 7 CO -0.01 -0.06 0.84 0.42 -2.11 0.00 0.00 174.94 174.02 1vi8 s THR 8 N -0.92 4.21 0.17 4.00 -4.23 -1.26 -4.94 115.64 112.68 1vi8 s THR 8 Ca -0.00 0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.46 1vi8 s THR 8 Cb -0.08 -3.63 0.07 0.00 1.34 0.00 0.00 72.50 70.20 1vi8 s THR 8 CO 0.01 -0.63 1.71 -0.07 -0.54 0.00 0.00 174.62 175.10 1vi8 h LEU 9 N 0.02 0.86 -0.35 4.79 3.38 -1.98 -0.57 115.31 121.46 1vi8 h LEU 9 Ca -0.46 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.38 1vi8 h LEU 9 Cb 1.23 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 1vi8 h LEU 9 CO 0.61 0.82 -0.10 -0.08 0.09 0.00 0.00 178.44 179.78 1vi8 h GLU 10 N 0.84 -0.01 -0.18 1.13 4.81 -1.94 0.23 114.58 119.47 1vi8 h GLU 10 Ca 0.19 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 1vi8 h GLU 10 Cb 0.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1vi8 h GLU 10 CO -0.01 -0.01 -0.37 0.00 -0.73 0.00 0.00 179.01 177.89 1vi8 h ALA 11 N 1.33 1.03 -0.14 2.92 0.00 -1.88 -0.83 119.26 121.68 1vi8 h ALA 11 Ca 0.17 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1vi8 h ALA 11 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1vi8 h ALA 11 CO -0.37 0.60 0.05 1.25 0.00 0.00 0.00 179.25 180.78 1vi8 h LEU 12 N 0.33 0.21 -1.16 0.00 5.85 0.05 -2.86 115.31 117.73 1vi8 h LEU 12 Ca 0.04 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1vi8 h LEU 12 Cb 0.81 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1vi8 h LEU 12 CO 0.06 0.34 -0.35 0.78 -0.34 0.00 0.00 178.44 178.94 1vi8 h ASN 13 N 0.06 0.00 0.36 1.25 2.35 -0.44 -2.87 115.58 116.30 1vi8 h ASN 13 Ca 0.05 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1vi8 h ASN 13 Cb 0.21 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1vi8 h ASN 13 CO -0.00 0.35 -0.18 0.00 -1.65 0.00 0.00 177.43 175.95 1vi8 h ALA 14 N 1.65 1.37 -0.35 -0.83 0.00 -0.92 -2.67 119.26 117.50 1vi8 h ALA 14 Ca -0.00 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.81 1vi8 h ALA 14 Cb 0.76 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1vi8 h ALA 14 CO 0.05 0.22 0.24 0.52 0.00 0.00 0.00 179.25 180.28 1vi8 h MET 15 N 0.00 0.17 -0.00 0.00 2.86 -1.41 -2.81 114.93 113.74 1vi8 h MET 15 Ca -0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1vi8 h MET 15 Cb 0.41 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1vi8 h MET 15 CO 0.02 0.11 -0.16 0.41 1.06 0.00 0.00 176.91 178.35 1vi8 n GLY 16 N -1.56 -1.37 3.74 8.32 0.00 -1.01 -4.86 105.19 108.45 1vi8 n GLY 16 Ca 0.04 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.95 4.21 0.00 1.61 2.02 -1.06 -0.97 118.70 121.56 1vi8 s GLU 17 Ca 0.15 2.41 0.00 0.00 0.02 0.00 0.00 54.97 57.54 1vi8 s GLU 17 Cb 0.19 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1vi8 s GLU 17 CO 0.58 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.75 1vi8 n GLY 18 N 2.44 1.56 1.87 -1.39 0.00 -1.26 -4.93 105.19 103.47 1vi8 n GLY 18 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1vi8 n GLY 18 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vi8 n ASN 19 N 0.00 0.83 -0.27 1.61 0.23 -0.94 -5.01 115.26 111.72 1vi8 n ASN 19 Ca 0.00 -2.22 0.07 0.00 -0.53 0.00 0.00 54.58 51.90 1vi8 n ASN 19 Cb 0.00 0.64 0.19 0.00 -2.08 0.00 0.00 39.78 38.54 1vi8 n ASN 19 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 1vi8 h MET 20 N 0.00 0.15 -0.54 -3.83 1.85 -1.96 0.12 114.93 110.72 1vi8 h MET 20 Ca -0.17 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 58.95 1vi8 h MET 20 Cb 0.68 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.63 1vi8 h MET 20 CO 0.27 0.10 0.29 0.28 -0.40 0.00 0.00 176.91 177.44 1vi8 h VAL 21 N 0.15 0.98 -0.34 -5.77 2.07 -1.95 -1.67 116.25 109.73 1vi8 h VAL 21 Ca 0.45 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.68 1vi8 h VAL 21 Cb 0.82 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1vi8 h VAL 21 CO -0.64 0.10 -0.21 1.23 0.02 0.00 0.00 177.57 178.07 1vi8 h GLY 22 N 0.56 0.69 2.00 2.17 0.00 0.77 -1.84 103.07 107.43 1vi8 h GLY 22 Ca 0.24 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1vi8 h GLY 22 CO -0.15 0.51 -0.12 0.74 0.00 0.00 0.00 176.54 177.53 1vi8 h PHE 23 N 0.57 0.00 -0.64 5.60 -1.00 -0.41 -2.74 116.94 118.32 1vi8 h PHE 23 Ca 0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.86 1vi8 h PHE 23 Cb 0.67 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.23 1vi8 h PHE 23 CO 0.03 0.12 0.00 1.28 -1.61 0.00 0.00 178.31 178.13 1vi8 n LEU 24 N -3.24 3.85 -3.72 1.54 4.77 -0.69 -4.95 117.00 114.55 1vi8 n LEU 24 Ca 0.01 -2.07 -0.25 0.00 -0.03 0.00 0.00 56.01 53.67 1vi8 n LEU 24 Cb 0.39 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1vi8 n LEU 24 CO 0.31 0.91 0.12 0.47 -1.33 0.00 0.00 177.39 177.87 1vi8 n ASP 25 N 1.32 -4.22 -4.66 -1.43 8.00 -1.03 -4.26 116.55 110.27 1vi8 n ASP 25 Ca 0.22 -0.70 -0.42 0.00 0.71 0.00 0.00 54.79 54.60 1vi8 n ASP 25 Cb 0.62 -4.42 -0.03 0.00 -0.02 0.00 0.00 41.12 37.27 1vi8 n ASP 25 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1vi8 s ILE 26 N -3.39 4.78 -0.15 0.53 1.01 -0.70 -4.42 121.20 118.86 1vi8 s ILE 26 Ca 0.43 1.78 0.02 0.00 0.00 0.00 0.00 60.65 62.88 1vi8 s ILE 26 Cb -0.20 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.07 1vi8 s ILE 26 CO 0.78 -0.09 -0.21 -0.13 0.00 0.00 0.00 174.94 175.29 1vi8 s ARG 27 N 2.83 3.03 0.02 2.79 1.81 -0.26 -4.76 118.95 124.41 1vi8 s ARG 27 Ca 0.40 -0.84 -0.30 0.00 -1.72 0.00 0.00 55.73 53.26 1vi8 s ARG 27 Cb -0.16 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 31.82 1vi8 s ARG 27 CO 0.08 -0.06 1.11 -0.06 -0.68 0.00 0.00 175.30 175.69 1vi8 s PHE 28 N 0.93 3.49 0.00 -0.53 0.40 -1.26 -0.05 117.98 120.96 1vi8 s PHE 28 Ca -0.04 1.45 0.00 0.00 -0.60 0.00 0.00 56.93 57.74 1vi8 s PHE 28 Cb -0.15 -3.30 0.00 0.00 0.51 0.00 0.00 43.02 40.08 1vi8 s PHE 28 CO -0.04 -0.77 0.29 0.39 0.70 0.00 0.00 175.22 175.78 1vi8 n GLU 29 N 4.11 2.12 -3.63 0.44 1.02 -0.45 -4.91 120.64 119.34 1vi8 n GLU 29 Ca 0.08 -0.29 -0.04 0.00 -0.02 0.00 0.00 57.16 56.90 1vi8 n GLU 29 Cb 0.48 -0.78 -0.06 0.00 -0.02 0.00 0.00 31.44 31.06 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 -0.38 -0.78 -0.26 -0.32 5.04 -1.19 -5.01 115.29 112.40 1vi8 s HIS 30 Ca 0.00 1.53 0.01 0.00 -1.54 0.00 0.00 55.06 55.06 1vi8 s HIS 30 Cb 0.00 0.46 0.05 0.00 0.04 0.00 0.00 32.58 33.13 1vi8 s HIS 30 CO 0.00 -0.38 -0.08 0.42 -2.34 0.00 0.00 174.74 172.36 1vi8 s ILE 31 N 1.55 2.50 0.10 0.89 1.01 -1.26 -0.67 121.20 125.32 1vi8 s ILE 31 Ca -0.09 -1.41 0.01 0.00 0.00 0.00 0.00 60.65 59.16 1vi8 s ILE 31 Cb -0.04 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 40.05 1vi8 s ILE 31 CO -0.17 0.03 0.13 0.61 0.00 0.00 0.00 174.94 175.55 1vi8 n GLY 32 N 4.54 1.76 0.33 6.18 0.00 0.27 -4.99 105.19 113.27 1vi8 n GLY 32 Ca -0.15 -2.12 -0.05 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.00 1.02 -0.03 1.61 3.45 -2.00 -3.34 116.42 117.13 1vi8 h ASP 33 Ca -0.04 -0.18 -0.18 0.00 0.43 0.00 0.00 57.03 57.05 1vi8 h ASP 33 Cb 0.20 -0.27 -0.37 0.00 -0.56 0.00 0.00 39.33 38.33 1vi8 h ASP 33 CO 0.06 0.94 -1.00 -0.90 -1.57 0.00 0.00 179.24 176.78 1vi8 n ASP 34 N -4.26 0.91 -3.84 6.45 3.85 -1.24 -2.17 116.55 116.24 1vi8 n ASP 34 Ca 0.06 -2.00 -0.11 0.00 -0.71 0.00 0.00 54.79 52.03 1vi8 n ASP 34 Cb 0.22 -0.27 -0.09 0.00 -1.35 0.00 0.00 41.12 39.62 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 -0.30 0.09 -0.01 2.12 2.01 -1.26 -4.39 115.64 113.91 1vi8 s THR 35 Ca 0.31 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1vi8 s THR 35 Cb 0.36 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 72.16 1vi8 s THR 35 CO -0.15 -0.42 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.12 1vi8 s LEU 36 N -1.75 1.74 0.01 4.42 2.96 -0.91 -0.56 118.68 124.57 1vi8 s LEU 36 Ca -0.09 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 1vi8 s LEU 36 Cb -0.04 -0.17 -0.01 0.00 0.50 0.00 0.00 46.19 46.47 1vi8 s LEU 36 CO -0.01 -0.01 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.27 1vi8 s GLU 37 N 0.28 1.00 0.01 1.98 2.02 0.16 -1.03 118.70 123.12 1vi8 s GLU 37 Ca -0.03 -0.57 -0.04 0.00 0.02 0.00 0.00 54.97 54.35 1vi8 s GLU 37 Cb -0.05 -0.98 -0.01 0.00 0.10 0.00 0.00 34.13 33.19 1vi8 s GLU 37 CO -0.01 0.26 0.07 0.00 0.02 0.00 0.00 175.26 175.60 1vi8 s ALA 38 N -0.51 -0.14 0.20 5.21 0.00 -0.79 -1.34 121.76 124.39 1vi8 s ALA 38 Ca 0.04 -0.28 0.09 0.00 0.00 0.00 0.00 51.96 51.80 1vi8 s ALA 38 Cb -0.06 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1vi8 s ALA 38 CO 0.00 -0.17 -0.04 0.99 0.00 0.00 0.00 175.76 176.54 1vi8 s THR 39 N -1.28 3.43 -0.09 0.00 2.01 0.92 -0.06 115.64 120.57 1vi8 s THR 39 Ca -0.14 -1.65 -0.06 0.00 0.31 0.00 0.00 61.69 60.16 1vi8 s THR 39 Cb -0.08 -2.74 0.04 0.00 0.01 0.00 0.00 72.50 69.72 1vi8 s THR 39 CO 0.00 -0.18 0.22 -0.32 -0.69 0.00 0.00 174.62 173.65 1vi8 s MET 40 N -3.09 0.20 0.49 4.92 0.00 -0.60 -1.10 119.30 120.12 1vi8 s MET 40 Ca 0.27 0.42 -0.20 0.00 0.00 0.00 0.00 55.69 56.18 1vi8 s MET 40 Cb -0.08 -0.04 -0.08 0.00 0.00 0.00 0.00 34.83 34.62 1vi8 s MET 40 CO 0.17 -0.12 1.07 -1.25 0.00 0.00 0.00 175.02 174.90 1vi8 s PRO 41 N 0.84 3.70 -0.84 4.11 0.04 -1.26 -0.88 135.00 140.72 1vi8 s PRO 41 Ca -0.06 1.45 -0.09 0.00 0.04 0.00 0.00 61.00 62.34 1vi8 s PRO 41 Cb -0.07 -2.11 0.22 0.00 0.04 0.00 0.00 34.50 32.58 1vi8 s PRO 41 CO -0.05 -0.53 0.75 0.08 0.04 0.00 0.00 177.00 177.29 1vi8 s VAL 42 N -1.89 5.09 0.00 -0.36 1.01 0.22 -4.74 120.40 119.73 1vi8 s VAL 42 Ca 0.68 -2.92 0.00 0.00 0.00 0.00 0.00 61.98 59.75 1vi8 s VAL 42 Cb -0.19 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1vi8 s VAL 42 CO 0.23 -1.03 0.00 -0.90 0.00 0.00 0.00 175.10 173.40 1vi8 n ASP 43 N 3.45 0.15 0.26 3.32 3.85 -1.26 -4.23 116.55 122.08 1vi8 n ASP 43 Ca 0.15 -0.48 0.18 0.00 -0.71 0.00 0.00 54.79 53.93 1vi8 n ASP 43 Cb 0.42 0.00 0.91 0.00 -1.35 0.00 0.00 41.12 41.10 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 1.41 -1.12 4.64 -1.95 0.17 113.55 116.70 1vi8 h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vi8 h SER 44 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1vi8 h SER 44 CO 0.00 0.00 -0.27 0.03 -0.87 0.00 0.00 176.83 175.72 1vi8 h ARG 45 N 0.00 0.00 0.00 4.77 3.08 -1.95 -3.35 114.38 116.93 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 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1vi8 h ARG 45 CO -0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 1vi8 n THR 46 N -2.49 0.68 -3.99 2.04 -2.24 0.39 -5.05 114.28 103.62 1vi8 n THR 46 Ca 0.04 -0.71 -0.26 0.00 -2.27 0.00 0.00 64.05 60.85 1vi8 n THR 46 Cb 0.47 0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.68 3.26 0.70 -0.78 1.02 -0.10 -0.28 119.74 122.88 1vi8 s LYS 47 Ca 0.00 -0.69 -0.03 0.00 0.02 0.00 0.00 55.97 55.27 1vi8 s LYS 47 Cb 0.00 -2.86 0.10 0.00 -0.52 0.00 0.00 37.83 34.55 1vi8 s LYS 47 CO 0.00 0.51 0.97 1.14 -0.92 0.00 0.00 175.35 177.05 1vi8 s GLN 48 N -3.21 1.90 0.61 1.68 1.03 0.68 -4.65 119.66 117.69 1vi8 s GLN 48 Ca 0.33 -0.79 0.27 0.00 0.04 0.00 0.00 55.36 55.21 1vi8 s GLN 48 Cb -0.11 -2.29 1.26 0.00 0.03 0.00 0.00 33.01 31.90 1vi8 s GLN 48 CO 0.27 -1.31 1.68 -1.35 -2.54 0.00 0.00 175.29 172.03 1vi8 h PRO 49 N -0.50 0.00 -0.58 9.60 0.11 -2.00 -1.88 132.00 136.75 1vi8 h PRO 49 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1vi8 h PRO 49 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1vi8 h PRO 49 CO 0.47 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.45 1vi8 n PHE 50 N -3.39 0.82 -1.01 0.65 3.01 -1.26 -4.91 117.46 111.38 1vi8 n PHE 50 Ca 0.11 -0.33 -0.00 0.00 1.01 0.00 0.00 57.45 58.24 1vi8 n PHE 50 Cb 0.90 -0.16 -0.00 0.00 -0.01 0.00 0.00 39.48 40.21 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 0.75 0.46 3.62 1.37 0.00 -0.71 -5.04 105.19 105.66 1vi8 n GLY 51 Ca 0.14 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.05 3.02 -0.02 0.99 1.43 -1.26 -4.77 118.68 118.02 1vi8 s LEU 52 Ca 0.00 -0.87 -0.34 0.00 -1.03 0.00 0.00 54.13 51.88 1vi8 s LEU 52 Cb 0.00 -1.46 -0.13 0.00 0.03 0.00 0.00 46.19 44.63 1vi8 s LEU 52 CO 0.00 -0.13 1.77 -0.11 0.23 0.00 0.00 176.35 178.10 1vi8 n LEU 53 N -0.91 3.23 -4.66 1.79 7.94 0.85 -0.23 117.00 125.01 1vi8 n LEU 53 Ca -0.05 1.02 -0.43 0.00 -1.11 0.00 0.00 56.01 55.44 1vi8 n LEU 53 Cb 0.61 -1.37 -0.02 0.00 0.53 0.00 0.00 43.42 43.16 1vi8 n LEU 53 CO 0.42 -0.18 1.20 -2.28 -1.11 0.00 0.00 177.39 175.44 1vi8 s HIS 54 N 2.99 2.50 0.49 1.96 5.65 0.62 -4.67 115.29 124.82 1vi8 s HIS 54 Ca 0.89 0.66 0.26 0.00 0.25 0.00 0.00 55.06 57.12 1vi8 s HIS 54 Cb -0.72 -3.68 1.32 0.00 -1.18 0.00 0.00 32.58 28.32 1vi8 s HIS 54 CO 0.48 -2.63 1.88 0.78 -0.65 0.00 0.00 174.74 174.60 1vi8 h GLY 55 N 9.81 0.38 1.13 1.59 0.00 -1.90 0.17 103.07 114.24 1vi8 h GLY 55 Ca -0.33 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1vi8 h GLY 55 CO 0.96 -0.01 0.37 -1.33 0.00 0.00 0.00 176.54 176.53 1vi8 h GLY 56 N 0.17 1.21 1.00 4.60 0.00 -1.94 -2.23 103.07 105.88 1vi8 h GLY 56 Ca 0.44 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1vi8 h GLY 56 CO -0.08 0.57 0.37 0.00 0.00 0.00 0.00 176.54 177.39 1vi8 h ALA 57 N 1.29 0.72 -0.96 3.60 0.00 -0.97 0.12 119.26 123.06 1vi8 h ALA 57 Ca 0.27 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1vi8 h ALA 57 Cb 0.12 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 1vi8 h ALA 57 CO -0.03 0.16 0.61 0.77 0.00 0.00 0.00 179.25 180.76 1vi8 h SER 58 N 0.77 0.97 0.32 0.00 0.02 -1.22 0.23 113.55 114.65 1vi8 h SER 58 Ca 0.21 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 1vi8 h SER 58 Cb -0.08 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1vi8 h SER 58 CO -0.04 0.62 -0.48 0.58 -1.14 0.00 0.00 176.83 176.37 1vi8 h VAL 59 N 1.11 1.34 -0.32 2.27 2.07 -0.75 -1.36 116.25 120.61 1vi8 h VAL 59 Ca 0.41 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1vi8 h VAL 59 Cb 0.16 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1vi8 h VAL 59 CO -0.17 0.49 0.13 0.58 0.02 0.00 0.00 177.57 178.62 1vi8 h VAL 60 N 0.15 1.18 -0.14 2.57 2.07 0.15 -0.20 116.25 122.02 1vi8 h VAL 60 Ca 0.01 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1vi8 h VAL 60 Cb 0.90 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1vi8 h VAL 60 CO 0.07 0.20 0.06 0.25 0.02 0.00 0.00 177.57 178.16 1vi8 h LEU 61 N 0.37 0.07 0.25 2.57 5.85 -0.31 -0.60 115.31 123.52 1vi8 h LEU 61 Ca 0.11 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1vi8 h LEU 61 Cb 0.19 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1vi8 h LEU 61 CO -0.01 0.07 -0.13 0.00 -0.34 0.00 0.00 178.44 178.02 1vi8 h ALA 62 N 1.08 -0.35 -0.30 1.25 0.00 -1.11 -1.11 119.26 118.71 1vi8 h ALA 62 Ca 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1vi8 h ALA 62 Cb 0.03 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1vi8 h ALA 62 CO -0.05 -0.70 -0.01 1.49 0.00 0.00 0.00 179.25 179.98 1vi8 h GLU 63 N -0.36 0.46 -0.52 0.00 4.81 -0.98 0.62 114.58 118.61 1vi8 h GLU 63 Ca -0.03 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1vi8 h GLU 63 Cb 0.29 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1vi8 h GLU 63 CO 0.05 0.50 0.16 0.77 -0.73 0.00 0.00 179.01 179.75 1vi8 h SER 64 N 0.45 0.77 -0.01 1.04 0.02 -0.76 0.34 113.55 115.39 1vi8 h SER 64 Ca 0.10 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1vi8 h SER 64 Cb 0.31 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1vi8 h SER 64 CO 0.01 0.77 -0.03 0.40 -1.14 0.00 0.00 176.83 176.84 1vi8 h ILE 65 N 0.72 1.49 -0.91 3.27 2.04 -0.87 -3.19 117.51 120.07 1vi8 h ILE 65 Ca 0.17 -1.48 0.06 0.00 1.00 0.00 0.00 64.86 64.61 1vi8 h ILE 65 Cb 0.28 2.45 -0.06 0.00 -0.74 0.00 0.00 36.82 38.76 1vi8 h ILE 65 CO -0.00 0.39 0.59 1.23 0.00 0.00 0.00 178.15 180.35 1vi8 h GLY 66 N -0.56 1.32 0.97 5.37 0.00 -0.84 -1.14 103.07 108.18 1vi8 h GLY 66 Ca -0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1vi8 h GLY 66 CO 0.01 0.32 0.04 1.76 0.00 0.00 0.00 176.54 178.67 1vi8 h SER 67 N 1.06 0.08 -0.22 0.19 0.02 -1.00 -1.14 113.55 112.54 1vi8 h SER 67 Ca 0.38 -0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 61.13 1vi8 h SER 67 Cb 0.15 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1vi8 h SER 67 CO -0.14 0.10 -0.48 -0.37 -1.14 0.00 0.00 176.83 174.80 1vi8 h VAL 68 N 0.06 1.29 -0.70 2.27 -1.51 -1.47 -2.30 116.25 113.88 1vi8 h VAL 68 Ca 0.02 -1.67 0.03 0.00 -1.23 0.00 0.00 66.70 63.85 1vi8 h VAL 68 Cb 0.03 1.57 -0.04 0.00 -2.13 0.00 0.00 31.29 30.72 1vi8 h VAL 68 CO -0.00 0.54 0.44 0.00 -1.23 0.00 0.00 177.57 177.32 1vi8 h ALA 69 N 0.82 0.91 -0.69 5.19 0.00 -1.13 0.61 119.26 124.98 1vi8 h ALA 69 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1vi8 h ALA 69 Cb 1.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1vi8 h ALA 69 CO 0.11 0.21 0.35 0.78 0.00 0.00 0.00 179.25 180.70 1vi8 h GLY 70 N 0.85 1.04 1.07 0.00 0.00 -1.06 -2.51 103.07 102.46 1vi8 h GLY 70 Ca 0.28 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 1vi8 h GLY 70 CO -0.11 0.46 -0.15 -1.82 0.00 0.00 0.00 176.54 174.92 1vi8 h TYR 71 N 0.97 1.07 0.00 5.60 3.20 -0.70 -2.83 116.97 124.28 1vi8 h TYR 71 Ca 0.24 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1vi8 h TYR 71 Cb 0.07 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.09 1vi8 h TYR 71 CO 0.01 1.04 0.00 -0.07 -1.64 0.00 0.00 178.16 177.50 1vi8 h LEU 72 N 0.79 0.00 -2.56 2.82 3.38 -0.50 -1.69 115.31 117.56 1vi8 h LEU 72 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1vi8 h LEU 72 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1vi8 h LEU 72 CO 0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1vi8 s THR 74 N -1.92 1.55 0.27 0.00 -4.23 -0.64 -4.76 115.64 105.91 1vi8 s THR 74 Ca 0.39 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 59.75 1vi8 s THR 74 Cb 0.26 -1.37 -0.03 0.00 1.34 0.00 0.00 72.50 72.70 1vi8 s THR 74 CO 0.16 0.12 0.27 -1.83 -0.54 0.00 0.00 174.62 172.80 1vi8 s GLU 75 N -1.29 3.04 5.91 3.99 -1.05 -1.26 -4.51 118.70 123.54 1vi8 s GLU 75 Ca 0.06 -1.01 0.00 0.00 -0.15 0.00 0.00 54.97 53.87 1vi8 s GLU 75 Cb -0.09 -2.65 0.00 0.00 -0.44 0.00 0.00 34.13 30.95 1vi8 s GLU 75 CO 0.02 0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.98 1vi8 n GLY 76 N -1.29 2.92 0.62 -3.83 0.00 -1.26 -2.51 105.19 99.83 1vi8 n GLY 76 Ca -0.07 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 13.60 1.81 -0.82 1.61 1.02 -1.26 -4.92 120.64 131.68 1vi8 n GLU 77 Ca 0.00 -1.01 -0.31 0.00 -0.02 0.00 0.00 57.16 55.82 1vi8 n GLU 77 Cb 0.00 -1.34 0.16 0.00 -0.02 0.00 0.00 31.44 30.24 1vi8 n GLU 77 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1vi8 s GLN 78 N -1.64 0.98 0.15 3.49 -0.21 -1.04 -4.31 119.66 117.08 1vi8 s GLN 78 Ca 0.18 1.32 -0.15 0.00 0.02 0.00 0.00 55.36 56.74 1vi8 s GLN 78 Cb 0.11 -1.74 0.02 0.00 1.00 0.00 0.00 33.01 32.40 1vi8 s GLN 78 CO 0.11 -2.59 0.40 0.15 -2.12 0.00 0.00 175.29 171.24 1vi8 s LYS 79 N -4.69 1.17 0.08 2.91 1.02 -0.42 -4.89 119.74 114.92 1vi8 s LYS 79 Ca 0.66 -0.86 0.09 0.00 0.02 0.00 0.00 55.97 55.88 1vi8 s LYS 79 Cb -0.22 0.46 -0.03 0.00 -0.52 0.00 0.00 37.83 37.52 1vi8 s LYS 79 CO 0.58 -0.46 -0.24 0.14 -0.92 0.00 0.00 175.35 174.45 1vi8 s VAL 80 N -3.86 2.36 -0.05 3.17 -7.23 -1.26 0.14 120.40 113.67 1vi8 s VAL 80 Ca 0.08 -1.49 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1vi8 s VAL 80 Cb 0.01 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.97 1vi8 s VAL 80 CO -0.07 0.25 -0.15 0.54 -0.31 0.00 0.00 175.10 175.36 1vi8 s VAL 81 N -0.94 1.28 -0.04 1.32 0.11 0.38 -4.93 120.40 117.57 1vi8 s VAL 81 Ca 0.14 -0.61 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 1vi8 s VAL 81 Cb -0.10 -1.12 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 1vi8 s VAL 81 CO 0.05 0.38 1.36 -0.83 -3.33 0.00 0.00 175.10 172.72 1vi8 s GLY 82 N 0.23 1.84 -0.16 6.54 0.00 -1.26 -0.09 107.32 114.42 1vi8 s GLY 82 Ca -0.07 0.76 -0.12 0.00 0.00 0.00 0.00 44.72 45.29 1vi8 s GLY 82 CO 0.03 2.50 -0.21 1.04 0.00 0.00 0.00 173.10 176.45 1vi8 n LEU 83 N 5.72 1.85 -3.83 0.66 4.77 0.14 -4.91 117.00 121.39 1vi8 n LEU 83 Ca 0.13 0.54 -0.11 0.00 -0.03 0.00 0.00 56.01 56.54 1vi8 n LEU 83 Cb 0.44 -0.84 -0.09 0.00 -2.33 0.00 0.00 43.42 40.61 1vi8 n LEU 83 CO 0.58 -0.36 -0.08 -1.83 -1.33 0.00 0.00 177.39 174.36 1vi8 s GLU 84 N -2.44 0.63 0.03 3.23 4.04 -1.03 -5.00 118.70 118.16 1vi8 s GLU 84 Ca -0.20 -0.45 0.01 0.00 0.04 0.00 0.00 54.97 54.38 1vi8 s GLU 84 Cb 0.03 0.27 -0.02 0.00 0.02 0.00 0.00 34.13 34.43 1vi8 s GLU 84 CO 0.30 -0.18 -0.06 -1.50 -1.84 0.00 0.00 175.26 171.99 1vi8 s ILE 85 N -1.91 0.36 0.03 1.83 2.07 -1.26 -0.71 121.20 121.61 1vi8 s ILE 85 Ca -0.10 -1.03 -0.09 0.00 -1.41 0.00 0.00 60.65 58.02 1vi8 s ILE 85 Cb -0.04 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 42.06 1vi8 s ILE 85 CO -0.00 -0.44 0.18 0.54 -1.91 0.00 0.00 174.94 173.31 1vi8 s ASN 86 N -1.57 0.02 -0.09 4.50 2.20 -0.70 -5.00 114.94 114.31 1vi8 s ASN 86 Ca -0.12 -0.30 -0.24 0.00 -0.94 0.00 0.00 52.86 51.26 1vi8 s ASN 86 Cb -0.10 0.27 0.06 0.00 -2.00 0.00 0.00 41.25 39.48 1vi8 s ASN 86 CO -0.00 -0.50 0.57 0.00 -2.94 0.00 0.00 177.10 174.23 1vi8 s ALA 87 N -2.17 -1.47 -0.18 3.54 0.00 -1.26 -1.59 121.76 118.63 1vi8 s ALA 87 Ca -0.08 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.06 1vi8 s ALA 87 Cb -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1vi8 s ALA 87 CO -0.02 -0.32 -0.10 -0.80 0.00 0.00 0.00 175.76 174.52 1vi8 s ASN 88 N -0.80 4.03 -0.45 0.00 -0.87 0.11 -4.96 114.94 112.01 1vi8 s ASN 88 Ca -0.08 -0.40 -0.21 0.00 -1.57 0.00 0.00 52.86 50.60 1vi8 s ASN 88 Cb -0.02 -1.66 0.03 0.00 -0.02 0.00 0.00 41.25 39.58 1vi8 s ASN 88 CO 0.06 0.05 0.66 -1.00 -2.57 0.00 0.00 177.10 174.31 1vi8 s HIS 89 N 1.02 3.05 -1.24 2.20 3.76 -1.26 -1.82 115.29 121.00 1vi8 s HIS 89 Ca -0.01 -0.09 0.15 0.00 -0.15 0.00 0.00 55.06 54.96 1vi8 s HIS 89 Cb -0.15 -3.41 -0.03 0.00 1.11 0.00 0.00 32.58 30.10 1vi8 s HIS 89 CO -0.01 -0.91 0.77 1.33 -0.85 0.00 0.00 174.74 175.07 1vi8 n VAL 90 N 5.86 0.00 -3.62 -0.90 0.24 -0.45 -5.00 118.33 114.45 1vi8 n VAL 90 Ca -0.02 -0.31 -0.09 0.00 -2.04 0.00 0.00 64.34 61.88 1vi8 n VAL 90 Cb 0.48 1.14 -0.06 0.00 -1.47 0.00 0.00 33.84 33.93 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 -1.88 0.51 0.68 7.34 3.52 -1.13 -4.94 118.95 123.05 1vi8 s ARG 91 Ca 0.11 0.45 -0.05 0.00 -0.13 0.00 0.00 55.73 56.11 1vi8 s ARG 91 Cb 0.12 0.25 0.07 0.00 -1.56 0.00 0.00 34.95 33.82 1vi8 s ARG 91 CO 0.41 -0.09 0.98 -1.54 -0.81 0.00 0.00 175.30 174.24 1vi8 s SER 92 N -0.16 4.80 -0.02 -2.12 1.04 -1.26 -4.59 113.70 111.39 1vi8 s SER 92 Ca 0.02 0.29 -0.08 0.00 0.48 0.00 0.00 55.95 56.66 1vi8 s SER 92 Cb -0.04 -0.95 0.01 0.00 0.10 0.00 0.00 66.02 65.15 1vi8 s SER 92 CO -0.04 -1.57 0.18 0.00 0.98 0.00 0.00 173.24 172.78 1vi8 s ALA 93 N -3.17 -0.44 0.00 5.32 0.00 -1.26 -5.01 121.76 117.20 1vi8 s ALA 93 Ca 0.61 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1vi8 s ALA 93 Cb -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1vi8 s ALA 93 CO 0.44 -0.19 0.02 2.89 0.00 0.00 0.00 175.76 178.92 1vi8 n ARG 94 N 1.83 2.22 -3.63 0.00 1.85 -1.26 -0.11 116.66 117.55 1vi8 n ARG 94 Ca -0.20 -0.02 -0.09 0.00 -1.00 0.00 0.00 57.85 56.55 1vi8 n ARG 94 Cb 0.56 -0.22 -0.02 0.00 -1.05 0.00 0.00 32.46 31.73 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 -0.32 1.40 4.05 2.89 -1.05 -1.26 -4.88 118.70 119.53 1vi8 s GLU 95 Ca 0.00 -0.66 0.00 0.00 -0.15 0.00 0.00 54.97 54.16 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 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 175.99 1vi8 n GLY 96 N -0.40 0.46 3.18 -3.83 0.00 -1.26 -4.78 105.19 98.56 1vi8 n GLY 96 Ca -0.10 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 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 0.84 0.12 1.61 0.52 -1.26 -0.61 118.95 120.18 1vi8 s ARG 97 Ca 0.00 -1.18 0.11 0.00 -0.52 0.00 0.00 55.73 54.14 1vi8 s ARG 97 Cb 0.00 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.72 1vi8 s ARG 97 CO 0.00 -0.24 -0.26 0.14 0.02 0.00 0.00 175.30 174.95 1vi8 s VAL 98 N -3.94 2.29 -0.12 3.52 -7.23 -0.06 -3.99 120.40 110.87 1vi8 s VAL 98 Ca 0.12 -1.73 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1vi8 s VAL 98 Cb 0.06 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.99 1vi8 s VAL 98 CO -0.06 0.10 -0.18 -0.60 -0.31 0.00 0.00 175.10 174.05 1vi8 s ARG 99 N -2.02 3.22 -0.17 4.82 3.52 0.10 -1.56 118.95 126.85 1vi8 s ARG 99 Ca 0.14 -0.78 -0.09 0.00 -0.13 0.00 0.00 55.73 54.88 1vi8 s ARG 99 Cb -0.10 -2.49 -0.05 0.00 -1.56 0.00 0.00 34.95 30.75 1vi8 s ARG 99 CO 0.06 0.17 0.12 0.20 -0.81 0.00 0.00 175.30 175.04 1vi8 s GLY 100 N 0.43 2.05 -0.25 8.12 0.00 0.91 -0.21 107.32 118.37 1vi8 s GLY 100 Ca -0.13 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 43.91 1vi8 s GLY 100 CO 0.06 -0.04 -0.05 0.14 0.00 0.00 0.00 173.10 173.21 1vi8 s VAL 101 N -0.07 1.63 -0.27 1.40 1.01 -0.09 -1.88 120.40 122.12 1vi8 s VAL 101 Ca 0.10 -1.34 -0.10 0.00 0.00 0.00 0.00 61.98 60.63 1vi8 s VAL 101 Cb -0.11 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 1vi8 s VAL 101 CO 0.00 -0.14 0.17 0.00 0.00 0.00 0.00 175.10 175.13 1vi8 s LYS 103 N 1.68 1.24 0.19 0.00 1.02 0.22 -2.15 119.74 121.94 1vi8 s LYS 103 Ca 0.07 -1.25 -0.24 0.00 0.02 0.00 0.00 55.97 54.57 1vi8 s LYS 103 Cb -0.16 -1.60 -0.08 0.00 -0.52 0.00 0.00 37.83 35.47 1vi8 s LYS 103 CO 0.09 0.37 0.78 -1.25 -0.92 0.00 0.00 175.35 174.43 1vi8 s PRO 104 N -2.00 4.50 -0.11 -1.68 0.04 -1.26 -0.90 135.00 133.60 1vi8 s PRO 104 Ca 0.10 1.11 0.11 0.00 0.04 0.00 0.00 61.00 62.36 1vi8 s PRO 104 Cb -0.10 -3.13 -0.16 0.00 0.04 0.00 0.00 34.50 31.15 1vi8 s PRO 104 CO 0.05 0.51 0.08 1.28 0.04 0.00 0.00 177.00 178.95 1vi8 n LEU 105 N 1.30 0.00 -3.66 -3.56 4.77 -0.40 -4.88 117.00 110.57 1vi8 n LEU 105 Ca -0.04 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.86 1vi8 n LEU 105 Cb 0.49 0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.76 1vi8 n LEU 105 CO 0.45 0.26 0.22 -2.28 -1.33 0.00 0.00 177.39 174.72 1vi8 s HIS 106 N -2.39 -0.92 -0.51 -1.77 5.04 -1.05 -4.94 115.29 108.76 1vi8 s HIS 106 Ca -0.06 1.83 0.05 0.00 -1.54 0.00 0.00 55.06 55.35 1vi8 s HIS 106 Cb 0.04 0.51 0.38 0.00 0.04 0.00 0.00 32.58 33.55 1vi8 s HIS 106 CO 0.51 -0.48 1.02 1.28 -2.34 0.00 0.00 174.74 174.73 1vi8 n LEU 107 N 4.47 4.46 -4.17 8.88 4.77 -1.26 -0.92 117.00 133.22 1vi8 n LEU 107 Ca -0.20 -5.43 -0.26 0.00 -0.03 0.00 0.00 56.01 50.09 1vi8 n LEU 107 Cb 0.56 -0.47 0.21 0.00 -2.33 0.00 0.00 43.42 41.39 1vi8 n LEU 107 CO 0.01 2.29 0.04 0.61 -1.33 0.00 0.00 177.39 179.02 1vi8 n GLY 108 N -0.34 -2.85 0.13 -0.72 0.00 -0.06 -4.93 105.19 96.42 1vi8 n GLY 108 Ca 0.34 -1.10 0.02 0.00 0.00 0.00 0.00 46.02 45.29 1vi8 n GLY 108 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vi8 h SER 109 N -2.84 0.00 0.00 1.61 4.64 -2.02 -3.38 113.55 111.57 1vi8 h SER 109 Ca -0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 1vi8 h SER 109 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1vi8 h SER 109 CO 0.26 0.48 -1.16 0.54 -0.87 0.00 0.00 176.83 176.08 1vi8 n ARG 110 N -3.09 0.46 -3.71 4.77 5.12 -1.26 -4.89 116.66 114.06 1vi8 n ARG 110 Ca -0.01 -0.03 -0.10 0.00 -1.93 0.00 0.00 57.85 55.78 1vi8 n ARG 110 Cb 0.75 -1.08 -0.05 0.00 -1.16 0.00 0.00 32.46 30.92 1vi8 n ARG 110 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1vi8 s HIS 111 N -2.22 -0.09 0.08 -1.55 -3.43 -1.26 -1.37 115.29 105.44 1vi8 s HIS 111 Ca -0.01 -0.24 0.02 0.00 -0.80 0.00 0.00 55.06 54.02 1vi8 s HIS 111 Cb 0.02 0.23 -0.04 0.00 -1.43 0.00 0.00 32.58 31.36 1vi8 s HIS 111 CO 0.14 -0.74 -0.07 -0.65 -2.00 0.00 0.00 174.74 171.42 1vi8 s GLN 112 N -3.84 0.75 -0.09 -0.38 -0.21 -0.62 -0.89 119.66 114.39 1vi8 s GLN 112 Ca 0.06 -1.15 0.03 0.00 0.02 0.00 0.00 55.36 54.31 1vi8 s GLN 112 Cb 0.02 -0.26 0.01 0.00 1.00 0.00 0.00 33.01 33.77 1vi8 s GLN 112 CO -0.09 0.01 -0.16 0.08 -2.12 0.00 0.00 175.29 173.02 1vi8 s VAL 113 N -2.87 1.45 0.06 1.09 1.01 -0.10 -0.87 120.40 120.17 1vi8 s VAL 113 Ca 0.05 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.47 1vi8 s VAL 113 Cb 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1vi8 s VAL 113 CO -0.03 0.43 -0.26 0.26 0.00 0.00 0.00 175.10 175.50 1vi8 s TRP 114 N 0.68 2.30 -0.14 5.22 0.52 0.15 -1.28 118.94 126.38 1vi8 s TRP 114 Ca -0.13 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 55.60 1vi8 s TRP 114 Cb -0.16 -1.35 0.01 0.00 -1.15 0.00 0.00 33.47 30.82 1vi8 s TRP 114 CO 0.04 0.17 -0.21 -1.14 0.02 0.00 0.00 176.95 175.82 1vi8 s GLN 115 N -1.40 3.05 -0.12 4.98 0.74 -0.08 -0.79 119.66 126.05 1vi8 s GLN 115 Ca 0.12 -0.84 0.02 0.00 0.05 0.00 0.00 55.36 54.71 1vi8 s GLN 115 Cb -0.10 -2.46 0.01 0.00 1.10 0.00 0.00 33.01 31.57 1vi8 s GLN 115 CO 0.03 -0.00 -0.16 0.42 -0.55 0.00 0.00 175.29 175.03 1vi8 s ILE 116 N 0.79 1.57 -0.12 -2.34 1.09 0.87 -0.61 121.20 122.44 1vi8 s ILE 116 Ca -0.07 -0.68 0.00 0.00 -1.10 0.00 0.00 60.65 58.80 1vi8 s ILE 116 Cb -0.16 -1.43 -0.02 0.00 -1.06 0.00 0.00 42.46 39.80 1vi8 s ILE 116 CO -0.01 0.45 -0.13 -1.61 -0.10 0.00 0.00 174.94 173.54 1vi8 s GLU 117 N 1.02 3.26 -0.22 2.79 2.02 -0.68 -0.65 118.70 126.24 1vi8 s GLU 117 Ca -0.05 -0.69 -0.06 0.00 0.02 0.00 0.00 54.97 54.19 1vi8 s GLU 117 Cb -0.15 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.46 1vi8 s GLU 117 CO -0.03 0.27 0.03 0.42 0.02 0.00 0.00 175.26 175.97 1vi8 s ILE 118 N 0.20 4.11 0.20 -1.63 1.01 0.81 -0.92 121.20 124.98 1vi8 s ILE 118 Ca -0.08 -0.25 0.09 0.00 0.00 0.00 0.00 60.65 60.41 1vi8 s ILE 118 Cb -0.15 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1vi8 s ILE 118 CO 0.05 0.39 -0.10 -0.36 0.00 0.00 0.00 174.94 174.92 1vi8 s PHE 119 N 1.29 2.60 0.08 3.97 0.40 0.70 -0.49 117.98 126.53 1vi8 s PHE 119 Ca 0.04 -0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.13 1vi8 s PHE 119 Cb -0.15 -1.25 0.02 0.00 0.51 0.00 0.00 43.02 42.15 1vi8 s PHE 119 CO 0.02 0.53 0.11 -0.40 0.70 0.00 0.00 175.22 176.18 1vi8 n ASP 120 N -0.09 0.12 -0.32 1.36 3.85 -0.30 0.02 116.55 121.19 1vi8 n ASP 120 Ca -0.10 -1.11 0.06 0.00 -0.71 0.00 0.00 54.79 52.94 1vi8 n ASP 120 Cb 0.56 -0.07 0.26 0.00 -1.35 0.00 0.00 41.12 40.52 1vi8 n ASP 120 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1vi8 h GLU 121 N 0.00 0.94 -0.06 0.11 5.08 -1.90 -2.17 114.58 116.58 1vi8 h GLU 121 Ca -0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1vi8 h GLU 121 Cb 0.12 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1vi8 h GLU 121 CO 0.04 0.62 0.00 1.63 -1.00 0.00 0.00 179.01 180.30 1vi8 n LYS 122 N -4.55 1.23 -0.95 2.33 5.02 -1.26 -4.86 118.16 115.12 1vi8 n LYS 122 Ca 0.16 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1vi8 n LYS 122 Cb 0.30 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1vi8 n LYS 122 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vi8 n GLY 123 N 0.85 0.46 3.75 0.72 0.00 -0.82 -5.02 105.19 105.13 1vi8 n GLY 123 Ca 0.12 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.19 4.30 0.05 1.61 0.52 -1.26 -4.82 118.95 118.15 1vi8 s ARG 124 Ca 0.00 0.63 -0.31 0.00 -0.52 0.00 0.00 55.73 55.53 1vi8 s ARG 124 Cb 0.00 -3.37 -0.07 0.00 0.52 0.00 0.00 34.95 32.03 1vi8 s ARG 124 CO 0.00 0.31 1.54 -1.17 0.02 0.00 0.00 175.30 176.00 1vi8 s LEU 125 N 0.05 4.35 -0.06 2.53 2.96 -1.26 -1.15 118.68 126.09 1vi8 s LEU 125 Ca 0.29 2.34 0.07 0.00 -0.22 0.00 0.00 54.13 56.62 1vi8 s LEU 125 Cb -0.17 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.85 1vi8 s LEU 125 CO 0.15 -0.81 0.06 0.00 -1.32 0.00 0.00 176.35 174.43 1vi8 s SER 128 N 0.94 2.99 0.04 0.00 0.15 -0.75 -0.13 113.70 116.94 1vi8 s SER 128 Ca -0.05 -0.58 0.02 0.00 0.70 0.00 0.00 55.95 56.03 1vi8 s SER 128 Cb -0.06 -1.38 -0.03 0.00 -1.71 0.00 0.00 66.02 62.84 1vi8 s SER 128 CO -0.08 0.05 -0.07 -0.55 1.20 0.00 0.00 173.24 173.79 1vi8 s SER 129 N 0.95 0.79 -0.04 5.45 0.15 0.18 -0.72 113.70 120.46 1vi8 s SER 129 Ca -0.04 -0.60 0.04 0.00 0.70 0.00 0.00 55.95 56.05 1vi8 s SER 129 Cb -0.15 0.05 -0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1vi8 s SER 129 CO -0.04 -0.25 -0.16 -0.13 1.20 0.00 0.00 173.24 173.86 1vi8 s ARG 130 N -1.83 1.63 -0.08 5.44 3.00 -0.62 -0.09 118.95 126.39 1vi8 s ARG 130 Ca -0.08 -0.57 0.03 0.00 0.00 0.00 0.00 55.73 55.11 1vi8 s ARG 130 Cb -0.08 -1.44 0.01 0.00 0.00 0.00 0.00 34.95 33.44 1vi8 s ARG 130 CO -0.01 0.24 -0.15 -1.17 0.00 0.00 0.00 175.30 174.21 1vi8 s LEU 131 N 0.02 1.76 -0.18 2.53 2.96 0.03 -1.71 118.68 124.08 1vi8 s LEU 131 Ca -0.03 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 1vi8 s LEU 131 Cb -0.11 -1.00 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 1vi8 s LEU 131 CO 0.02 0.06 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.18 1vi8 s THR 132 N 0.64 3.69 0.28 3.68 2.01 0.11 0.31 115.64 126.36 1vi8 s THR 132 Ca -0.14 -0.41 0.10 0.00 0.31 0.00 0.00 61.69 61.54 1vi8 s THR 132 Cb -0.16 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 1vi8 s THR 132 CO 0.04 0.46 -0.15 0.42 -0.69 0.00 0.00 174.62 174.70 1vi8 s THR 133 N 0.82 2.18 -0.00 -0.82 -4.23 -0.05 0.23 115.64 113.77 1vi8 s THR 133 Ca -0.01 -2.29 0.06 0.00 -1.18 0.00 0.00 61.69 58.27 1vi8 s THR 133 Cb -0.15 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1vi8 s THR 133 CO 0.02 -0.38 -0.17 0.00 -0.54 0.00 0.00 174.62 173.54 1vi8 s ALA 134 N -2.68 2.57 -0.19 3.99 0.00 0.87 -1.58 121.76 124.74 1vi8 s ALA 134 Ca 0.29 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 1vi8 s ALA 134 Cb -0.01 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1vi8 s ALA 134 CO 0.13 0.56 0.31 0.42 0.00 0.00 0.00 175.76 177.19 1vi8 s ILE 135 N -0.80 5.27 -0.22 0.00 1.01 -0.47 -0.47 121.20 125.52 1vi8 s ILE 135 Ca 0.13 0.55 -0.09 0.00 0.00 0.00 0.00 60.65 61.24 1vi8 s ILE 135 Cb -0.10 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1vi8 s ILE 135 CO 0.03 0.33 0.11 -0.76 0.00 0.00 0.00 174.94 174.64 1vi8 s LEU 136 N 0.89 3.88 0.76 2.97 1.43 0.38 -4.90 118.68 124.09 1vi8 s LEU 136 Ca 0.16 0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.16 1vi8 s LEU 136 Cb -0.14 -2.02 0.06 0.00 0.03 0.00 0.00 46.19 44.12 1vi8 s LEU 136 CO 0.05 0.09 1.19 -1.61 0.23 0.00 0.00 176.35 176.30 1vi8 s GLU 137 N 0.89 1.99 0.07 1.70 0.41 -1.26 -1.29 118.70 121.21 1vi8 s GLU 137 Ca 0.05 1.69 -0.26 0.00 -0.41 0.00 0.00 54.97 56.04 1vi8 s GLU 137 Cb -0.13 -1.82 0.09 0.00 -1.78 0.00 0.00 34.13 30.48 1vi8 s GLU 137 CO 0.03 -1.93 0.74 0.20 -0.49 0.00 0.00 175.26 173.80 1vi8 s GLY 138 N -2.22 -0.54 0.00 -1.39 0.00 -1.26 -4.75 107.32 97.16 1vi8 s GLY 138 Ca 0.72 0.78 0.00 0.00 0.00 0.00 0.00 44.72 46.22 1vi8 s GLY 138 CO 0.48 0.28 0.00 0.61 0.00 0.00 0.00 173.10 174.47 1vi8 n GLY 139 N -0.25 2.72 3.81 0.20 0.00 -1.26 -4.37 105.19 106.03 1vi8 n GLY 139 Ca -0.13 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 1vi8 n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vi8 s SER 140 N 0.00 6.97 0.01 1.61 0.15 -1.26 -5.07 113.70 116.12 1vi8 s SER 140 Ca 0.00 1.77 0.07 0.00 0.70 0.00 0.00 55.95 58.49 1vi8 s SER 140 Cb 0.00 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1vi8 s SER 140 CO 0.00 -0.34 -0.21 -1.00 1.20 0.00 0.00 173.24 172.90 1vi8 s HIS 141 N -1.99 2.48 0.65 3.44 0.09 -1.26 -5.12 115.29 113.59 1vi8 s HIS 141 Ca 0.59 -0.31 -0.17 0.00 -0.00 0.00 0.00 55.06 55.17 1vi8 s HIS 141 Cb -0.13 -1.49 -0.01 0.00 -0.00 0.00 0.00 32.58 30.96 1vi8 s HIS 141 CO 0.17 0.15 1.19 -1.58 -0.00 0.00 0.00 174.74 174.67 1vi8 s HIS 142 N -0.79 2.32 -0.03 1.40 5.65 -1.26 -5.04 115.29 117.53 1vi8 s HIS 142 Ca 0.12 1.55 -0.11 0.00 0.25 0.00 0.00 55.06 56.87 1vi8 s HIS 142 Cb -0.10 -3.43 0.02 0.00 -1.18 0.00 0.00 32.58 27.89 1vi8 s HIS 142 CO 0.02 -2.26 0.24 -3.38 -0.65 0.00 0.00 174.74 168.71 1vi8 s HIS 143 N -1.84 -0.14 0.33 3.88 -3.43 -1.26 -5.15 115.29 107.68 1vi8 s HIS 143 Ca 0.75 0.26 -0.27 0.00 -0.80 0.00 0.00 55.06 54.99 1vi8 s HIS 143 Cb -0.28 0.05 -0.09 0.00 -1.43 0.00 0.00 32.58 30.82 1vi8 s HIS 143 CO 0.38 -0.29 1.10 -1.01 -2.00 0.00 0.00 174.74 172.93 1vi8 s HIS 144 N -0.93 3.42 0.00 0.38 3.76 -1.26 -5.35 115.29 115.31 1vi8 s HIS 144 Ca -0.10 1.66 0.00 0.00 -0.15 0.00 0.00 55.06 56.47 1vi8 s HIS 144 Cb -0.05 -3.26 0.00 0.00 1.11 0.00 0.00 32.58 30.38 1vi8 s HIS 144 CO 0.02 -0.69 0.00 0.72 -0.85 0.00 0.00 174.74 173.94