#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 4.53 -0.04 2.46 2.96 -1.26 -3.78 118.68 123.55 1vi8 s LEU 1 Ca 0.00 1.50 0.03 0.00 -0.22 0.00 0.00 54.13 55.44 1vi8 s LEU 1 Cb 0.00 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 1vi8 s LEU 1 CO 0.00 0.15 0.00 2.30 -1.32 0.00 0.00 176.35 177.48 1vi8 n ILE 2 N 2.08 0.25 -0.89 6.68 -5.35 -1.13 -5.02 119.36 115.99 1vi8 n ILE 2 Ca -0.05 -0.15 -0.33 0.00 -0.27 0.00 0.00 62.75 61.95 1vi8 n ILE 2 Cb 0.50 -0.87 0.14 0.00 -1.74 0.00 0.00 39.64 37.67 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 -2.21 0.20 -0.37 4.28 7.02 -1.26 -4.78 117.44 120.32 1vi8 n TRP 3 Ca -0.06 0.35 0.00 0.00 -1.02 0.00 0.00 57.50 56.77 1vi8 n TRP 3 Cb 0.61 -1.96 0.00 0.00 -2.42 0.00 0.00 31.31 27.54 1vi8 n TRP 3 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1vi8 n LYS 4 N -2.96 0.72 -4.92 -0.99 5.02 0.01 -4.96 118.16 110.09 1vi8 n LYS 4 Ca 0.11 -0.05 -0.27 0.00 -2.02 0.00 0.00 58.31 56.08 1vi8 n LYS 4 Cb 0.52 -0.34 -0.16 0.00 -0.02 0.00 0.00 35.03 35.02 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 -0.12 1.75 -0.19 1.97 0.52 -0.95 -4.91 118.95 117.02 1vi8 s ARG 5 Ca 0.00 -0.67 -0.18 0.00 -0.52 0.00 0.00 55.73 54.36 1vi8 s ARG 5 Cb 0.00 -1.58 -0.03 0.00 0.52 0.00 0.00 34.95 33.85 1vi8 s ARG 5 CO 0.00 0.33 0.49 0.21 0.02 0.00 0.00 175.30 176.35 1vi8 s LYS 6 N -0.20 4.21 0.07 3.54 2.20 -1.26 -4.96 119.74 123.34 1vi8 s LYS 6 Ca 0.01 0.37 -0.06 0.00 -0.36 0.00 0.00 55.97 55.94 1vi8 s LYS 6 Cb -0.10 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.67 1vi8 s LYS 6 CO 0.01 -0.08 0.10 -1.50 -0.36 0.00 0.00 175.35 173.52 1vi8 s ILE 7 N 1.42 0.17 0.25 5.43 1.10 -1.26 -5.17 121.20 123.14 1vi8 s ILE 7 Ca 0.23 -1.43 0.11 0.00 -0.51 0.00 0.00 60.65 59.05 1vi8 s ILE 7 Cb -0.15 -1.41 -0.05 0.00 0.15 0.00 0.00 42.46 41.00 1vi8 s ILE 7 CO 0.09 -0.79 -0.16 0.42 -2.11 0.00 0.00 174.94 172.40 1vi8 s THR 8 N -3.88 2.73 0.14 4.00 -4.23 -1.26 -5.03 115.64 108.11 1vi8 s THR 8 Ca 0.06 -2.15 -0.18 0.00 -1.18 0.00 0.00 61.69 58.23 1vi8 s THR 8 Cb 0.06 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.48 1vi8 s THR 8 CO -0.11 -0.31 1.73 -0.07 -0.54 0.00 0.00 174.62 175.32 1vi8 h LEU 9 N 2.45 -0.04 -1.15 4.79 3.38 -1.99 0.20 115.31 122.96 1vi8 h LEU 9 Ca -0.43 0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.65 1vi8 h LEU 9 Cb 1.24 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.01 1vi8 h LEU 9 CO 0.57 0.01 0.59 -0.08 0.09 0.00 0.00 178.44 179.62 1vi8 h GLU 10 N 0.12 1.00 -0.27 1.13 4.81 -1.96 0.11 114.58 119.52 1vi8 h GLU 10 Ca 0.12 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 1vi8 h GLU 10 Cb 0.14 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1vi8 h GLU 10 CO -0.18 0.66 -0.21 0.00 -0.73 0.00 0.00 179.01 178.55 1vi8 h ALA 11 N 1.51 0.39 0.51 2.92 0.00 -1.79 -2.77 119.26 120.03 1vi8 h ALA 11 Ca 0.39 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1vi8 h ALA 11 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1vi8 h ALA 11 CO -0.14 0.33 -0.32 -0.07 0.00 0.00 0.00 179.25 179.05 1vi8 h LEU 12 N 0.34 -0.82 -2.10 0.00 3.38 -0.17 -2.84 115.31 113.11 1vi8 h LEU 12 Ca 0.05 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1vi8 h LEU 12 Cb 0.75 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1vi8 h LEU 12 CO 0.05 -0.51 0.24 0.78 0.09 0.00 0.00 178.44 179.10 1vi8 h ASN 13 N -0.80 0.00 0.38 -0.43 2.35 -1.05 -0.67 115.58 115.36 1vi8 h ASN 13 Ca -0.06 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1vi8 h ASN 13 Cb 0.65 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 1vi8 h ASN 13 CO 0.06 0.00 -0.33 0.00 -1.65 0.00 0.00 177.43 175.50 1vi8 h ALA 14 N 1.79 1.38 -0.99 -0.83 0.00 -1.24 -3.04 119.26 116.33 1vi8 h ALA 14 Ca 0.13 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 54.89 1vi8 h ALA 14 Cb 0.61 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 1vi8 h ALA 14 CO -0.00 0.42 0.62 0.52 0.00 0.00 0.00 179.25 180.80 1vi8 h MET 15 N 0.00 0.85 0.00 0.00 2.86 -1.11 -2.39 114.93 115.15 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 0.61 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1vi8 h MET 15 CO 0.04 0.56 0.00 0.41 1.06 0.00 0.00 176.91 178.99 1vi8 n GLY 16 N -1.36 -0.76 3.68 8.32 0.00 -1.15 -4.83 105.19 109.10 1vi8 n GLY 16 Ca 0.20 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1vi8 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vi8 s GLU 17 N -2.00 4.23 0.00 1.61 2.12 -0.90 -0.71 118.70 123.04 1vi8 s GLU 17 Ca 0.35 2.09 0.00 0.00 0.36 0.00 0.00 54.97 57.77 1vi8 s GLU 17 Cb 0.16 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.82 1vi8 s GLU 17 CO 0.27 -0.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.69 1vi8 n GLY 18 N 3.87 1.19 3.53 -1.50 0.00 -1.26 -4.99 105.19 106.03 1vi8 n GLY 18 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.01 2.87 0.30 1.61 2.20 -1.04 -5.00 114.94 112.87 1vi8 s ASN 19 Ca 0.00 -1.57 0.02 0.00 -0.94 0.00 0.00 52.86 50.38 1vi8 s ASN 19 Cb 0.00 0.29 0.76 0.00 -2.00 0.00 0.00 41.25 40.30 1vi8 s ASN 19 CO 0.00 -0.80 1.59 -0.03 -2.94 0.00 0.00 177.10 174.91 1vi8 h MET 20 N 1.84 0.04 -0.03 3.55 1.85 -1.96 -0.32 114.93 119.89 1vi8 h MET 20 Ca -0.39 -0.00 0.01 0.00 -0.61 0.00 0.00 59.70 58.71 1vi8 h MET 20 Cb 1.27 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 33.26 1vi8 h MET 20 CO 0.64 0.03 -0.27 0.28 -0.40 0.00 0.00 176.91 177.19 1vi8 h VAL 21 N 0.04 0.00 -0.53 -5.77 2.07 -1.95 -0.98 116.25 109.13 1vi8 h VAL 21 Ca 0.59 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.12 1vi8 h VAL 21 Cb 1.24 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1vi8 h VAL 21 CO -0.86 0.00 0.34 1.23 0.02 0.00 0.00 177.57 178.30 1vi8 h GLY 22 N -0.31 0.75 2.00 2.17 0.00 -0.05 -1.95 103.07 105.67 1vi8 h GLY 22 Ca 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1vi8 h GLY 22 CO -0.19 0.28 -0.05 -2.75 0.00 0.00 0.00 176.54 173.83 1vi8 h PHE 23 N 0.72 0.00 -0.50 5.60 3.57 -0.25 -1.89 116.94 124.20 1vi8 h PHE 23 Ca 0.19 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1vi8 h PHE 23 Cb -0.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1vi8 h PHE 23 CO 0.00 0.05 0.00 1.28 -2.23 0.00 0.00 178.31 177.41 1vi8 n LEU 24 N -3.48 3.68 -3.71 0.59 4.77 -0.45 -4.96 117.00 113.44 1vi8 n LEU 24 Ca -0.02 -2.21 -0.24 0.00 -0.03 0.00 0.00 56.01 53.50 1vi8 n LEU 24 Cb 0.17 -0.40 0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1vi8 n LEU 24 CO 0.26 0.81 0.09 -0.67 -1.33 0.00 0.00 177.39 176.55 1vi8 n ASP 25 N 0.80 -3.71 -4.64 -1.43 4.64 -0.71 -4.24 116.55 107.27 1vi8 n ASP 25 Ca 0.19 -0.71 -0.41 0.00 -1.38 0.00 0.00 54.79 52.48 1vi8 n ASP 25 Cb 0.63 -4.39 -0.06 0.00 -1.04 0.00 0.00 41.12 36.26 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 -3.42 4.96 -0.07 5.18 1.01 -0.99 -4.26 121.20 123.62 1vi8 s ILE 26 Ca 0.36 1.25 0.02 0.00 0.00 0.00 0.00 60.65 62.27 1vi8 s ILE 26 Cb -0.17 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.34 1vi8 s ILE 26 CO 0.79 0.03 -0.10 0.00 0.00 0.00 0.00 174.94 175.65 1vi8 s ARG 27 N 2.40 1.56 0.27 2.79 1.70 -0.84 -4.67 118.95 122.15 1vi8 s ARG 27 Ca 0.29 -0.35 -0.29 0.00 -0.47 0.00 0.00 55.73 54.91 1vi8 s ARG 27 Cb -0.16 -1.36 -0.09 0.00 -0.57 0.00 0.00 34.95 32.77 1vi8 s ARG 27 CO 0.09 -0.04 1.11 -0.06 -1.08 0.00 0.00 175.30 175.32 1vi8 s PHE 28 N 0.88 3.57 0.00 5.89 0.40 -1.26 -1.06 117.98 126.39 1vi8 s PHE 28 Ca -0.11 1.68 0.00 0.00 -0.60 0.00 0.00 56.93 57.90 1vi8 s PHE 28 Cb -0.15 -3.29 0.00 0.00 0.51 0.00 0.00 43.02 40.09 1vi8 s PHE 28 CO 0.01 -0.59 0.00 0.39 0.70 0.00 0.00 175.22 175.73 1vi8 n GLU 29 N 1.34 2.67 -3.69 0.44 1.02 0.89 -4.92 120.64 118.39 1vi8 n GLU 29 Ca -0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.03 1vi8 n GLU 29 Cb 0.45 -0.72 -0.10 0.00 -0.02 0.00 0.00 31.44 31.04 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 -1.27 -0.66 -0.75 -0.32 5.04 -1.17 -5.01 115.29 111.16 1vi8 s HIS 30 Ca 0.00 1.36 0.03 0.00 -1.54 0.00 0.00 55.06 54.91 1vi8 s HIS 30 Cb 0.00 0.28 0.26 0.00 0.04 0.00 0.00 32.58 33.16 1vi8 s HIS 30 CO 0.00 -0.38 0.91 -0.89 -2.34 0.00 0.00 174.74 172.04 1vi8 n ILE 31 N 4.51 3.06 -0.04 0.89 5.41 -1.26 -0.85 119.36 131.07 1vi8 n ILE 31 Ca -0.20 -5.38 -0.04 0.00 1.00 0.00 0.00 62.75 58.13 1vi8 n ILE 31 Cb 0.54 -2.11 0.04 0.00 -0.71 0.00 0.00 39.64 37.40 1vi8 n ILE 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1vi8 n GLY 32 N 1.03 -3.19 0.20 7.39 0.00 0.03 -4.92 105.19 105.73 1vi8 n GLY 32 Ca 0.28 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.06 1vi8 n GLY 32 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1vi8 h ASP 33 N -2.07 0.90 0.00 1.61 -0.00 -1.98 -3.37 116.42 111.50 1vi8 h ASP 33 Ca -0.05 -0.73 -0.06 0.00 -0.00 0.00 0.00 57.03 56.19 1vi8 h ASP 33 Cb 0.16 -0.27 -0.14 0.00 -0.00 0.00 0.00 39.33 39.08 1vi8 h ASP 33 CO 0.03 1.50 -0.61 -0.90 -0.00 0.00 0.00 179.24 179.27 1vi8 n ASP 34 N -3.89 1.07 -3.74 2.28 3.85 -1.25 -2.83 116.55 112.04 1vi8 n ASP 34 Ca -0.11 -2.55 -0.13 0.00 -0.71 0.00 0.00 54.79 51.29 1vi8 n ASP 34 Cb 0.85 -0.34 -0.08 0.00 -1.35 0.00 0.00 41.12 40.20 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 -1.11 0.06 0.02 2.12 -4.23 -1.26 -4.45 115.64 106.79 1vi8 s THR 35 Ca 0.25 -0.46 0.05 0.00 -1.18 0.00 0.00 61.69 60.34 1vi8 s THR 35 Cb 0.25 -0.68 -0.02 0.00 1.34 0.00 0.00 72.50 73.40 1vi8 s THR 35 CO -0.07 -0.26 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.38 1vi8 s LEU 36 N -1.40 2.11 0.00 4.79 2.96 -0.74 -0.79 118.68 125.62 1vi8 s LEU 36 Ca -0.12 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1vi8 s LEU 36 Cb -0.04 -0.71 -0.00 0.00 0.50 0.00 0.00 46.19 45.93 1vi8 s LEU 36 CO 0.04 0.11 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.55 1vi8 s GLU 37 N -0.83 0.17 0.01 1.98 2.02 -0.03 -0.68 118.70 121.34 1vi8 s GLU 37 Ca 0.04 -0.13 -0.13 0.00 0.02 0.00 0.00 54.97 54.77 1vi8 s GLU 37 Cb -0.07 -0.13 0.02 0.00 0.10 0.00 0.00 34.13 34.05 1vi8 s GLU 37 CO 0.01 0.03 0.27 0.00 0.02 0.00 0.00 175.26 175.59 1vi8 s ALA 38 N -0.20 -0.64 0.40 5.21 0.00 -1.05 -0.08 121.76 125.40 1vi8 s ALA 38 Ca -0.01 0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.11 1vi8 s ALA 38 Cb -0.02 0.19 -0.06 0.00 0.00 0.00 0.00 23.12 23.23 1vi8 s ALA 38 CO -0.00 -0.32 0.10 0.95 0.00 0.00 0.00 175.76 176.48 1vi8 s THR 39 N -1.93 2.29 -0.20 0.00 -4.23 -0.23 -0.77 115.64 110.58 1vi8 s THR 39 Ca -0.10 -1.84 -0.14 0.00 -1.18 0.00 0.00 61.69 58.43 1vi8 s THR 39 Cb -0.03 -2.96 0.06 0.00 1.34 0.00 0.00 72.50 70.91 1vi8 s THR 39 CO 0.00 -0.04 0.51 -0.32 -0.54 0.00 0.00 174.62 174.23 1vi8 s MET 40 N -3.81 0.55 0.69 3.99 0.00 -0.64 -1.98 119.30 118.09 1vi8 s MET 40 Ca 0.38 0.84 -0.14 0.00 0.00 0.00 0.00 55.69 56.77 1vi8 s MET 40 Cb 0.05 0.15 0.02 0.00 0.00 0.00 0.00 34.83 35.04 1vi8 s MET 40 CO 0.21 -0.12 1.11 -1.25 0.00 0.00 0.00 175.02 174.97 1vi8 s PRO 41 N 0.94 2.62 -0.85 4.11 0.04 -1.26 -1.27 135.00 139.33 1vi8 s PRO 41 Ca -0.05 1.37 0.01 0.00 0.04 0.00 0.00 61.00 62.36 1vi8 s PRO 41 Cb -0.06 -1.93 0.24 0.00 0.04 0.00 0.00 34.50 32.80 1vi8 s PRO 41 CO -0.08 -1.39 0.90 0.28 0.04 0.00 0.00 177.00 176.75 1vi8 n VAL 42 N -2.69 3.21 -4.00 -0.36 0.31 -0.20 -4.71 118.33 109.88 1vi8 n VAL 42 Ca 0.10 -5.30 -0.00 0.00 -0.01 0.00 0.00 64.34 59.13 1vi8 n VAL 42 Cb 0.52 -2.22 -0.00 0.00 -0.91 0.00 0.00 33.84 31.23 1vi8 n VAL 42 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1vi8 n ASP 43 N 1.65 1.64 -0.36 4.52 3.85 -1.26 -4.25 116.55 122.34 1vi8 n ASP 43 Ca 0.25 -1.01 0.27 0.00 -0.71 0.00 0.00 54.79 53.58 1vi8 n ASP 43 Cb 0.37 0.00 0.55 0.00 -1.35 0.00 0.00 41.12 40.70 1vi8 n ASP 43 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1vi8 h SER 44 N 0.01 0.38 -0.23 -1.12 0.02 -1.95 0.13 113.55 110.79 1vi8 h SER 44 Ca -0.00 0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 1vi8 h SER 44 Cb 0.01 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1vi8 h SER 44 CO 0.00 0.00 -0.27 0.03 -1.14 0.00 0.00 176.83 175.46 1vi8 h ARG 45 N 0.30 0.71 -0.32 3.45 3.08 -1.95 -3.24 114.38 116.41 1vi8 h ARG 45 Ca 0.66 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1vi8 h ARG 45 Cb 1.81 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.84 1vi8 h ARG 45 CO -0.34 0.91 0.00 0.25 -1.07 0.00 0.00 179.97 179.72 1vi8 n THR 46 N -4.09 1.84 -4.02 2.04 -2.24 0.20 -5.01 114.28 103.00 1vi8 n THR 46 Ca -0.00 -1.53 -0.28 0.00 -2.27 0.00 0.00 64.05 59.96 1vi8 n THR 46 Cb 0.45 0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.15 3.08 0.48 -0.78 1.02 0.19 0.22 119.74 121.80 1vi8 s LYS 47 Ca 0.36 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.66 1vi8 s LYS 47 Cb 0.27 -2.79 0.01 0.00 -0.52 0.00 0.00 37.83 34.79 1vi8 s LYS 47 CO 0.12 0.53 0.70 1.14 -0.92 0.00 0.00 175.35 176.93 1vi8 s GLN 48 N -2.84 2.92 0.51 1.68 1.03 -0.47 -4.69 119.66 117.81 1vi8 s GLN 48 Ca 0.32 -0.57 0.10 0.00 0.04 0.00 0.00 55.36 55.25 1vi8 s GLN 48 Cb -0.11 -2.54 0.34 0.00 0.03 0.00 0.00 33.01 30.73 1vi8 s GLN 48 CO 0.25 -0.40 0.91 -2.30 -2.54 0.00 0.00 175.29 171.21 1vi8 n PRO 49 N -2.15 0.02 -0.25 9.60 -0.02 -1.26 -0.85 135.00 140.08 1vi8 n PRO 49 Ca 0.03 0.79 0.09 0.00 -2.02 0.00 0.00 63.50 62.39 1vi8 n PRO 49 Cb 0.58 -2.05 0.23 0.00 -0.02 0.00 0.00 33.50 32.24 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 -2.45 0.67 -0.59 6.00 3.01 -1.26 -4.96 117.46 117.87 1vi8 n PHE 50 Ca 0.09 -0.46 0.00 0.00 1.01 0.00 0.00 57.45 58.09 1vi8 n PHE 50 Cb 1.00 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.46 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 1.08 0.78 3.94 1.37 0.00 -0.03 -5.05 105.19 107.28 1vi8 n GLY 51 Ca 0.18 0.00 -0.24 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 0.00 3.99 0.22 0.99 1.43 -1.26 -4.62 118.68 119.43 1vi8 s LEU 52 Ca 0.00 0.47 -0.32 0.00 -1.03 0.00 0.00 54.13 53.25 1vi8 s LEU 52 Cb 0.00 -3.34 -0.12 0.00 0.03 0.00 0.00 46.19 42.75 1vi8 s LEU 52 CO 0.00 -0.31 1.65 -0.11 0.23 0.00 0.00 176.35 177.81 1vi8 n LEU 53 N -1.81 3.81 -4.71 1.79 7.94 0.54 -1.36 117.00 123.20 1vi8 n LEU 53 Ca -0.04 1.09 -0.42 0.00 -1.11 0.00 0.00 56.01 55.52 1vi8 n LEU 53 Cb 0.56 -1.54 -0.03 0.00 0.53 0.00 0.00 43.42 42.94 1vi8 n LEU 53 CO 0.49 0.03 0.94 -2.28 -1.11 0.00 0.00 177.39 175.46 1vi8 s HIS 54 N 0.81 3.32 0.37 1.96 5.65 0.13 -4.66 115.29 122.88 1vi8 s HIS 54 Ca 0.73 1.19 0.06 0.00 0.25 0.00 0.00 55.06 57.29 1vi8 s HIS 54 Cb -0.55 -3.49 0.75 0.00 -1.18 0.00 0.00 32.58 28.11 1vi8 s HIS 54 CO 0.38 -1.58 1.99 0.78 -0.65 0.00 0.00 174.74 175.66 1vi8 h GLY 55 N 7.09 0.85 2.00 1.59 0.00 -1.91 -1.09 103.07 111.60 1vi8 h GLY 55 Ca -0.41 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 46.58 1vi8 h GLY 55 CO 0.84 0.24 -0.25 -1.33 0.00 0.00 0.00 176.54 176.04 1vi8 h GLY 56 N 0.73 0.00 1.80 4.60 0.00 -1.95 -2.00 103.07 106.25 1vi8 h GLY 56 Ca 0.26 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.43 1vi8 h GLY 56 CO -0.07 0.00 -0.68 0.00 0.00 0.00 0.00 176.54 175.78 1vi8 h ALA 57 N 1.75 0.77 -0.68 3.60 0.00 -1.52 -1.57 119.26 121.61 1vi8 h ALA 57 Ca -0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 1vi8 h ALA 57 Cb 0.69 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1vi8 h ALA 57 CO 0.03 0.79 0.36 0.77 0.00 0.00 0.00 179.25 181.20 1vi8 h SER 58 N 0.14 0.85 0.45 0.00 0.02 -1.07 -1.44 113.55 112.51 1vi8 h SER 58 Ca -0.02 -0.07 -0.20 0.00 -0.84 0.00 0.00 61.79 60.66 1vi8 h SER 58 Cb 1.22 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1vi8 h SER 58 CO 0.10 0.70 -0.85 0.58 -1.14 0.00 0.00 176.83 176.22 1vi8 h VAL 59 N 0.96 1.44 0.16 2.27 2.07 -1.30 -0.87 116.25 120.98 1vi8 h VAL 59 Ca 0.24 -2.46 -0.00 0.00 0.82 0.00 0.00 66.70 65.30 1vi8 h VAL 59 Cb 0.05 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1vi8 h VAL 59 CO -0.04 0.72 -0.11 0.58 0.02 0.00 0.00 177.57 178.75 1vi8 h VAL 60 N 0.17 0.77 0.14 2.57 2.07 -0.71 0.42 116.25 121.68 1vi8 h VAL 60 Ca -0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1vi8 h VAL 60 Cb 1.47 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1vi8 h VAL 60 CO 0.14 0.00 -0.42 0.25 0.02 0.00 0.00 177.57 177.55 1vi8 h LEU 61 N -0.26 -1.26 -0.48 2.57 5.85 -1.24 0.60 115.31 121.10 1vi8 h LEU 61 Ca -0.01 0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.93 1vi8 h LEU 61 Cb 0.22 0.46 -0.10 0.00 0.37 0.00 0.00 40.66 41.61 1vi8 h LEU 61 CO 0.01 -0.46 -0.28 0.00 -0.34 0.00 0.00 178.44 177.37 1vi8 h ALA 62 N -0.79 -0.00 -0.01 1.25 0.00 -0.89 0.19 119.26 119.00 1vi8 h ALA 62 Ca -0.01 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1vi8 h ALA 62 Cb 0.62 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1vi8 h ALA 62 CO -0.21 -0.64 -0.40 1.49 0.00 0.00 0.00 179.25 179.49 1vi8 h GLU 63 N -0.17 0.01 0.22 0.00 4.81 0.13 0.65 114.58 120.23 1vi8 h GLU 63 Ca 0.21 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1vi8 h GLU 63 Cb 0.51 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1vi8 h GLU 63 CO -0.58 0.42 -0.10 0.77 -0.73 0.00 0.00 179.01 178.79 1vi8 h SER 64 N 0.01 -0.24 -0.24 1.04 0.02 0.21 0.49 113.55 114.84 1vi8 h SER 64 Ca -0.00 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1vi8 h SER 64 Cb 0.72 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1vi8 h SER 64 CO 0.05 -0.13 0.03 0.40 -1.14 0.00 0.00 176.83 176.05 1vi8 h ILE 65 N -0.34 1.23 -0.40 3.27 2.04 -0.97 -3.19 117.51 119.15 1vi8 h ILE 65 Ca -0.03 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.07 1vi8 h ILE 65 Cb 0.26 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1vi8 h ILE 65 CO 0.05 0.25 0.21 1.23 0.00 0.00 0.00 178.15 179.89 1vi8 h GLY 66 N 0.20 0.55 0.33 5.37 0.00 -0.77 -2.05 103.07 106.69 1vi8 h GLY 66 Ca 0.07 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.28 1vi8 h GLY 66 CO 0.01 0.12 -0.31 1.76 0.00 0.00 0.00 176.54 178.12 1vi8 h SER 67 N 0.43 -0.91 -0.37 0.19 0.02 -0.90 -0.97 113.55 111.03 1vi8 h SER 67 Ca 0.16 0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 1vi8 h SER 67 Cb 0.05 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1vi8 h SER 67 CO -0.10 -0.37 0.06 -0.37 -1.14 0.00 0.00 176.83 174.91 1vi8 h VAL 68 N -0.45 1.24 -0.61 2.27 -1.51 -1.54 -2.50 116.25 113.15 1vi8 h VAL 68 Ca 0.06 -0.84 0.10 0.00 -1.23 0.00 0.00 66.70 64.79 1vi8 h VAL 68 Cb 0.54 1.07 -0.08 0.00 -2.13 0.00 0.00 31.29 30.69 1vi8 h VAL 68 CO -0.26 0.28 0.20 0.00 -1.23 0.00 0.00 177.57 176.57 1vi8 h ALA 69 N 0.92 0.77 -0.69 5.19 0.00 -1.16 0.46 119.26 124.75 1vi8 h ALA 69 Ca 0.11 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1vi8 h ALA 69 Cb 0.35 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1vi8 h ALA 69 CO 0.01 -0.23 0.30 0.78 0.00 0.00 0.00 179.25 180.11 1vi8 h GLY 70 N 0.36 1.09 0.75 0.00 0.00 -1.09 -2.44 103.07 101.74 1vi8 h GLY 70 Ca 0.31 -0.57 0.03 0.00 0.00 0.00 0.00 47.33 47.10 1vi8 h GLY 70 CO -0.34 0.54 0.04 -1.82 0.00 0.00 0.00 176.54 174.96 1vi8 h TYR 71 N 0.97 0.07 0.00 5.60 3.20 -0.46 -1.44 116.97 124.90 1vi8 h TYR 71 Ca 0.23 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1vi8 h TYR 71 Cb 0.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1vi8 h TYR 71 CO 0.01 0.02 0.02 1.28 -1.64 0.00 0.00 178.16 177.85 1vi8 n LEU 72 N -5.09 0.53 -1.18 2.82 4.77 0.14 -1.37 117.00 117.63 1vi8 n LEU 72 Ca -0.02 0.74 0.12 0.00 -0.03 0.00 0.00 56.01 56.82 1vi8 n LEU 72 Cb 0.10 -0.80 0.23 0.00 -2.33 0.00 0.00 43.42 40.62 1vi8 n LEU 72 CO 0.28 -0.92 0.71 0.00 -1.33 0.00 0.00 177.39 176.12 1vi8 n THR 74 N 1.50 0.00 -3.91 0.00 -2.24 -0.47 -4.67 114.28 104.48 1vi8 n THR 74 Ca 0.20 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.89 1vi8 n THR 74 Cb 0.60 -0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 68.19 1vi8 n THR 74 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1vi8 s GLU 75 N 2.95 1.11 0.00 -0.78 2.02 -1.26 -4.45 118.70 118.29 1vi8 s GLU 75 Ca 0.00 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.90 1vi8 s GLU 75 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.62 1vi8 s GLU 75 CO 0.00 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.28 1vi8 n GLY 76 N -0.20 1.14 0.22 -1.39 0.00 -1.26 -0.38 105.19 103.33 1vi8 n GLY 76 Ca -0.09 0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.25 1vi8 n GLY 76 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1vi8 h GLU 77 N 0.00 0.00 -6.60 1.61 4.39 -1.96 -3.46 114.58 108.56 1vi8 h GLU 77 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 1vi8 h GLU 77 Cb 0.00 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 28.81 1vi8 h GLU 77 CO 0.00 0.00 -0.18 1.04 -1.16 0.00 0.00 179.01 178.71 1vi8 n GLN 78 N -2.85 0.72 -3.97 2.33 6.02 0.49 -4.89 117.38 115.23 1vi8 n GLN 78 Ca 0.02 0.28 -0.08 0.00 -0.01 0.00 0.00 57.00 57.20 1vi8 n GLN 78 Cb 0.35 -1.86 -0.09 0.00 1.02 0.00 0.00 30.24 29.66 1vi8 n GLN 78 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1vi8 s LYS 79 N -2.22 0.62 0.13 -1.09 1.02 -0.36 -4.69 119.74 113.15 1vi8 s LYS 79 Ca 0.70 -0.92 0.07 0.00 0.02 0.00 0.00 55.97 55.84 1vi8 s LYS 79 Cb -0.46 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.04 1vi8 s LYS 79 CO 0.53 -0.15 -0.09 0.14 -0.92 0.00 0.00 175.35 174.86 1vi8 s VAL 80 N -3.14 3.37 -0.03 3.17 -7.23 -1.26 0.09 120.40 115.37 1vi8 s VAL 80 Ca -0.00 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 1vi8 s VAL 80 Cb 0.02 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.36 1vi8 s VAL 80 CO -0.07 0.04 -0.08 0.54 -0.31 0.00 0.00 175.10 175.23 1vi8 s VAL 81 N -1.36 0.71 -0.08 1.32 0.11 -0.26 -4.92 120.40 115.91 1vi8 s VAL 81 Ca 0.23 -0.30 -0.30 0.00 -2.93 0.00 0.00 61.98 58.68 1vi8 s VAL 81 Cb -0.10 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1vi8 s VAL 81 CO 0.15 0.23 1.36 -0.83 -3.33 0.00 0.00 175.10 172.67 1vi8 s GLY 82 N 0.35 1.78 -0.21 6.54 0.00 -1.26 -0.58 107.32 113.94 1vi8 s GLY 82 Ca -0.05 0.70 -0.16 0.00 0.00 0.00 0.00 44.72 45.21 1vi8 s GLY 82 CO 0.01 2.53 -0.27 1.04 0.00 0.00 0.00 173.10 176.41 1vi8 n LEU 83 N 6.04 1.92 -3.99 0.66 4.77 0.57 -4.95 117.00 122.03 1vi8 n LEU 83 Ca 0.14 0.39 -0.09 0.00 -0.03 0.00 0.00 56.01 56.42 1vi8 n LEU 83 Cb 0.44 -0.81 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 1vi8 n LEU 83 CO 0.58 -0.00 -0.36 -0.70 -1.33 0.00 0.00 177.39 175.57 1vi8 s GLU 84 N -2.63 0.33 0.02 3.23 2.56 -1.09 -5.01 118.70 116.12 1vi8 s GLU 84 Ca -0.29 -0.65 -0.10 0.00 0.00 0.00 0.00 54.97 53.92 1vi8 s GLU 84 Cb 0.07 0.12 0.01 0.00 2.00 0.00 0.00 34.13 36.33 1vi8 s GLU 84 CO 0.43 -0.06 0.20 -1.50 -0.56 0.00 0.00 175.26 173.77 1vi8 s ILE 85 N -1.64 0.09 0.11 -3.70 2.07 -1.26 -0.36 121.20 116.51 1vi8 s ILE 85 Ca -0.14 -0.76 -0.13 0.00 -1.41 0.00 0.00 60.65 58.21 1vi8 s ILE 85 Cb -0.09 -0.72 0.02 0.00 0.13 0.00 0.00 42.46 41.80 1vi8 s ILE 85 CO -0.02 -0.42 0.31 0.54 -1.91 0.00 0.00 174.94 173.45 1vi8 s ASN 86 N -1.75 -0.07 -0.19 4.50 2.20 -0.61 -4.98 114.94 114.03 1vi8 s ASN 86 Ca -0.09 -0.48 -0.27 0.00 -0.94 0.00 0.00 52.86 51.07 1vi8 s ASN 86 Cb -0.04 0.42 0.07 0.00 -2.00 0.00 0.00 41.25 39.70 1vi8 s ASN 86 CO -0.01 -0.81 0.71 0.00 -2.94 0.00 0.00 177.10 174.06 1vi8 s ALA 87 N -3.84 -1.78 -0.14 3.54 0.00 -1.26 -1.26 121.76 117.03 1vi8 s ALA 87 Ca 0.04 1.78 -0.01 0.00 0.00 0.00 0.00 51.96 53.77 1vi8 s ALA 87 Cb 0.03 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1vi8 s ALA 87 CO -0.11 -0.35 -0.11 -0.80 0.00 0.00 0.00 175.76 174.40 1vi8 s ASN 88 N -0.18 4.21 -0.33 0.00 -0.87 0.62 -4.96 114.94 113.44 1vi8 s ASN 88 Ca -0.04 -0.27 -0.15 0.00 -1.57 0.00 0.00 52.86 50.83 1vi8 s ASN 88 Cb -0.03 -1.65 -0.02 0.00 -0.02 0.00 0.00 41.25 39.53 1vi8 s ASN 88 CO 0.04 0.17 0.35 -1.00 -2.57 0.00 0.00 177.10 174.09 1vi8 s HIS 89 N 0.34 3.21 -0.15 2.20 3.76 -1.26 -1.30 115.29 122.09 1vi8 s HIS 89 Ca -0.09 0.03 0.11 0.00 -0.15 0.00 0.00 55.06 54.96 1vi8 s HIS 89 Cb -0.15 -2.64 -0.15 0.00 1.11 0.00 0.00 32.58 30.74 1vi8 s HIS 89 CO 0.05 -0.39 0.30 1.33 -0.85 0.00 0.00 174.74 175.17 1vi8 n VAL 90 N 5.21 0.00 -3.66 -0.90 0.24 -0.27 -5.00 118.33 113.96 1vi8 n VAL 90 Ca -0.09 -0.25 -0.15 0.00 -2.04 0.00 0.00 64.34 61.81 1vi8 n VAL 90 Cb 0.50 0.46 -0.08 0.00 -1.47 0.00 0.00 33.84 33.24 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 -2.55 0.76 0.50 7.34 3.52 -1.06 -4.98 118.95 122.49 1vi8 s ARG 91 Ca -0.02 0.40 -0.02 0.00 -0.13 0.00 0.00 55.73 55.96 1vi8 s ARG 91 Cb 0.07 0.36 -0.00 0.00 -1.56 0.00 0.00 34.95 33.82 1vi8 s ARG 91 CO 0.45 -0.17 0.76 -1.54 -0.81 0.00 0.00 175.30 173.99 1vi8 s SER 92 N -0.50 5.77 0.02 -2.12 1.04 -1.26 -4.62 113.70 112.03 1vi8 s SER 92 Ca -0.06 0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.86 1vi8 s SER 92 Cb -0.03 -1.64 -0.02 0.00 0.10 0.00 0.00 66.02 64.43 1vi8 s SER 92 CO 0.04 -0.83 -0.05 0.00 0.98 0.00 0.00 173.24 173.39 1vi8 s ALA 93 N -2.73 0.30 0.00 5.32 0.00 -1.26 -5.00 121.76 118.39 1vi8 s ALA 93 Ca 0.50 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1vi8 s ALA 93 Cb -0.10 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1vi8 s ALA 93 CO 0.41 -0.05 0.49 2.89 0.00 0.00 0.00 175.76 179.50 1vi8 n ARG 94 N 2.00 0.52 -3.88 0.00 1.85 -1.26 -0.34 116.66 115.55 1vi8 n ARG 94 Ca -0.20 -0.60 -0.02 0.00 -1.00 0.00 0.00 57.85 56.03 1vi8 n ARG 94 Cb 0.56 -0.67 0.01 0.00 -1.05 0.00 0.00 32.46 31.32 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 -0.22 1.19 5.10 2.89 -1.05 -1.26 -4.92 118.70 120.43 1vi8 s GLU 95 Ca 0.00 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 1vi8 s GLU 95 Cb 0.00 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 1vi8 s GLU 95 CO 0.00 -0.56 0.00 0.41 0.95 0.00 0.00 175.26 176.06 1vi8 n GLY 96 N -0.70 1.99 3.19 -3.83 0.00 -1.26 -4.65 105.19 99.92 1vi8 n GLY 96 Ca -0.03 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 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 0.87 -0.01 1.61 0.52 -1.26 -1.03 118.95 119.65 1vi8 s ARG 97 Ca 0.00 -1.18 0.06 0.00 -0.52 0.00 0.00 55.73 54.09 1vi8 s ARG 97 Cb 0.00 -0.57 -0.03 0.00 0.52 0.00 0.00 34.95 34.87 1vi8 s ARG 97 CO 0.00 0.09 -0.17 0.14 0.02 0.00 0.00 175.30 175.38 1vi8 s VAL 98 N -2.45 2.82 -0.21 3.52 -7.23 -0.40 -3.26 120.40 113.20 1vi8 s VAL 98 Ca 0.06 -0.97 -0.06 0.00 -1.81 0.00 0.00 61.98 59.21 1vi8 s VAL 98 Cb -0.03 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 1vi8 s VAL 98 CO 0.00 0.48 0.03 -0.60 -0.31 0.00 0.00 175.10 174.71 1vi8 s ARG 99 N -1.02 3.69 -0.27 4.82 3.52 0.24 -1.63 118.95 128.31 1vi8 s ARG 99 Ca 0.13 -0.48 -0.10 0.00 -0.13 0.00 0.00 55.73 55.15 1vi8 s ARG 99 Cb -0.10 -3.18 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 1vi8 s ARG 99 CO 0.02 -0.00 0.17 0.20 -0.81 0.00 0.00 175.30 174.88 1vi8 s GLY 100 N 1.07 1.92 -0.26 8.12 0.00 0.05 -0.21 107.32 118.01 1vi8 s GLY 100 Ca 0.03 -1.06 -0.07 0.00 0.00 0.00 0.00 44.72 43.62 1vi8 s GLY 100 CO 0.02 0.58 0.08 0.14 0.00 0.00 0.00 173.10 173.92 1vi8 s VAL 101 N 1.60 4.24 -0.28 1.40 1.01 0.11 -2.51 120.40 125.96 1vi8 s VAL 101 Ca 0.07 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 1vi8 s VAL 101 Cb -0.15 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 1vi8 s VAL 101 CO 0.09 0.27 0.10 0.00 0.00 0.00 0.00 175.10 175.55 1vi8 s LYS 103 N 1.59 1.42 0.37 0.00 1.02 -0.19 -1.79 119.74 122.16 1vi8 s LYS 103 Ca 0.05 -1.09 -0.21 0.00 0.02 0.00 0.00 55.97 54.74 1vi8 s LYS 103 Cb -0.16 -1.65 -0.10 0.00 -0.52 0.00 0.00 37.83 35.40 1vi8 s LYS 103 CO 0.04 0.41 0.90 -1.25 -0.92 0.00 0.00 175.35 174.53 1vi8 s PRO 104 N -1.49 4.28 -0.15 -1.68 0.04 -1.26 -1.06 135.00 133.69 1vi8 s PRO 104 Ca 0.09 1.08 0.06 0.00 0.04 0.00 0.00 61.00 62.28 1vi8 s PRO 104 Cb -0.10 -2.43 -0.13 0.00 0.04 0.00 0.00 34.50 31.88 1vi8 s PRO 104 CO 0.03 0.11 -0.05 1.28 0.04 0.00 0.00 177.00 178.41 1vi8 n LEU 105 N -0.19 1.49 -3.65 -3.56 4.77 -0.14 -4.85 117.00 110.87 1vi8 n LEU 105 Ca 0.04 -0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1vi8 n LEU 105 Cb 0.53 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 1vi8 n LEU 105 CO 0.40 0.55 0.25 -2.28 -1.33 0.00 0.00 177.39 174.98 1vi8 s HIS 106 N -2.32 -1.06 -0.37 -1.77 5.04 -0.99 -4.97 115.29 108.83 1vi8 s HIS 106 Ca -0.14 2.02 0.03 0.00 -1.54 0.00 0.00 55.06 55.43 1vi8 s HIS 106 Cb 0.05 0.61 0.11 0.00 0.04 0.00 0.00 32.58 33.38 1vi8 s HIS 106 CO 0.46 -0.54 0.10 -0.51 -2.34 0.00 0.00 174.74 171.91 1vi8 s LEU 107 N 2.10 4.22 0.00 8.88 1.43 -1.26 -0.14 118.68 133.91 1vi8 s LEU 107 Ca -0.08 -2.25 0.03 0.00 -1.03 0.00 0.00 54.13 50.80 1vi8 s LEU 107 Cb -0.08 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.68 1vi8 s LEU 107 CO -0.18 -0.35 0.26 0.61 0.23 0.00 0.00 176.35 176.91 1vi8 n GLY 108 N 4.11 2.35 2.26 -3.19 0.00 -0.76 -5.02 105.19 104.92 1vi8 n GLY 108 Ca 0.04 -2.19 -0.27 0.00 0.00 0.00 0.00 46.02 43.59 1vi8 n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vi8 n SER 109 N -2.41 5.05 0.00 1.61 3.41 -1.26 -4.26 113.62 115.77 1vi8 n SER 109 Ca 0.04 -3.66 0.00 0.00 -0.26 0.00 0.00 58.87 54.99 1vi8 n SER 109 Cb 0.24 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1vi8 n SER 109 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1vi8 n ARG 110 N -1.06 0.00 -3.67 4.33 5.12 -1.26 -4.99 116.66 115.12 1vi8 n ARG 110 Ca 0.61 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 56.43 1vi8 n ARG 110 Cb 1.34 -0.07 -0.03 0.00 -1.16 0.00 0.00 32.46 32.53 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 -1.00 -0.24 0.09 -1.55 -3.43 -1.26 -0.61 115.29 107.29 1vi8 s HIS 111 Ca 0.00 -0.09 0.02 0.00 -0.80 0.00 0.00 55.06 54.19 1vi8 s HIS 111 Cb 0.00 0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 31.59 1vi8 s HIS 111 CO 0.00 -0.94 -0.06 -0.65 -2.00 0.00 0.00 174.74 171.09 1vi8 s GLN 112 N -3.85 0.78 -0.10 -0.38 -0.21 -0.72 -1.84 119.66 113.34 1vi8 s GLN 112 Ca 0.07 -1.26 -0.00 0.00 0.02 0.00 0.00 55.36 54.19 1vi8 s GLN 112 Cb -0.02 -0.18 0.02 0.00 1.00 0.00 0.00 33.01 33.84 1vi8 s GLN 112 CO -0.04 -0.02 -0.06 0.08 -2.12 0.00 0.00 175.29 173.12 1vi8 s VAL 113 N -3.41 0.90 0.04 1.09 1.01 0.80 -1.30 120.40 119.53 1vi8 s VAL 113 Ca 0.09 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1vi8 s VAL 113 Cb 0.04 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1vi8 s VAL 113 CO -0.05 0.34 -0.07 0.26 0.00 0.00 0.00 175.10 175.59 1vi8 s TRP 114 N 1.65 2.85 -0.12 5.22 0.52 0.11 -0.96 118.94 128.21 1vi8 s TRP 114 Ca 0.03 -0.07 0.03 0.00 0.02 0.00 0.00 56.10 56.11 1vi8 s TRP 114 Cb -0.13 -1.55 0.00 0.00 -1.15 0.00 0.00 33.47 30.65 1vi8 s TRP 114 CO -0.07 0.39 -0.23 -1.14 0.02 0.00 0.00 176.95 175.93 1vi8 s GLN 115 N -1.73 3.04 -0.13 4.98 0.74 -0.22 -0.37 119.66 125.98 1vi8 s GLN 115 Ca 0.19 -0.86 0.02 0.00 0.05 0.00 0.00 55.36 54.76 1vi8 s GLN 115 Cb -0.11 -2.38 0.01 0.00 1.10 0.00 0.00 33.01 31.63 1vi8 s GLN 115 CO 0.10 0.08 -0.19 0.42 -0.55 0.00 0.00 175.29 175.15 1vi8 s ILE 116 N 0.59 1.81 -0.13 -2.34 1.09 0.56 -1.02 121.20 121.76 1vi8 s ILE 116 Ca -0.13 -0.83 -0.01 0.00 -1.10 0.00 0.00 60.65 58.58 1vi8 s ILE 116 Cb -0.17 -1.62 -0.02 0.00 -1.06 0.00 0.00 42.46 39.59 1vi8 s ILE 116 CO 0.03 0.50 -0.09 -1.61 -0.10 0.00 0.00 174.94 173.67 1vi8 s GLU 117 N 0.89 3.42 -0.17 2.79 2.02 -0.17 -0.75 118.70 126.73 1vi8 s GLU 117 Ca -0.07 -0.61 -0.03 0.00 0.02 0.00 0.00 54.97 54.28 1vi8 s GLU 117 Cb -0.15 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.33 1vi8 s GLU 117 CO -0.02 0.27 -0.07 0.42 0.02 0.00 0.00 175.26 175.89 1vi8 s ILE 118 N 0.23 3.44 0.18 -1.63 1.01 0.85 0.10 121.20 125.37 1vi8 s ILE 118 Ca -0.06 -0.50 0.10 0.00 0.00 0.00 0.00 60.65 60.19 1vi8 s ILE 118 Cb -0.15 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1vi8 s ILE 118 CO 0.04 0.48 -0.18 -0.36 0.00 0.00 0.00 174.94 174.92 1vi8 s PHE 119 N 0.77 2.46 0.70 3.97 0.40 0.71 -0.00 117.98 127.00 1vi8 s PHE 119 Ca -0.03 -0.29 -0.08 0.00 -0.60 0.00 0.00 56.93 55.93 1vi8 s PHE 119 Cb -0.15 -1.23 0.05 0.00 0.51 0.00 0.00 43.02 42.20 1vi8 s PHE 119 CO 0.02 0.49 1.04 0.16 0.70 0.00 0.00 175.22 177.63 1vi8 s ASP 120 N -2.66 5.00 0.13 1.36 3.84 -0.52 -0.60 116.67 123.23 1vi8 s ASP 120 Ca 0.22 0.69 0.06 0.00 -0.00 0.00 0.00 52.55 53.52 1vi8 s ASP 120 Cb -0.09 -1.39 0.34 0.00 -1.38 0.00 0.00 42.92 40.40 1vi8 s ASP 120 CO 0.12 -1.52 1.07 -1.84 -0.00 0.00 0.00 175.17 173.00 1vi8 n GLU 121 N -2.95 0.04 -0.59 2.11 0.28 -1.20 0.01 120.64 118.33 1vi8 n GLU 121 Ca 0.07 0.45 0.09 0.00 -0.16 0.00 0.00 57.16 57.60 1vi8 n GLU 121 Cb 0.59 -1.82 0.33 0.00 1.43 0.00 0.00 31.44 31.98 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 -1.66 3.72 -1.23 3.44 5.02 -1.26 -4.95 118.16 121.24 1vi8 n LYS 122 Ca -0.00 -2.85 -0.08 0.00 -2.02 0.00 0.00 58.31 53.36 1vi8 n LYS 122 Cb 0.19 -1.88 -0.03 0.00 -0.02 0.00 0.00 35.03 33.28 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 0.75 0.97 3.79 0.72 0.00 0.10 -5.01 105.19 106.51 1vi8 n GLY 123 Ca 0.24 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.46 4.03 0.13 1.61 0.52 -1.25 -4.85 118.95 116.68 1vi8 s ARG 124 Ca 0.00 0.21 -0.31 0.00 -0.52 0.00 0.00 55.73 55.11 1vi8 s ARG 124 Cb 0.00 -3.32 -0.09 0.00 0.52 0.00 0.00 34.95 32.05 1vi8 s ARG 124 CO 0.00 0.46 1.59 -1.17 0.02 0.00 0.00 175.30 176.20 1vi8 s LEU 125 N -0.26 4.37 -0.04 2.53 2.96 -1.26 -1.44 118.68 125.54 1vi8 s LEU 125 Ca 0.20 2.55 0.04 0.00 -0.22 0.00 0.00 54.13 56.70 1vi8 s LEU 125 Cb -0.14 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 1vi8 s LEU 125 CO 0.08 -0.84 0.02 0.00 -1.32 0.00 0.00 176.35 174.29 1vi8 s SER 128 N 0.75 2.70 0.09 0.00 0.15 -0.42 -0.11 113.70 116.87 1vi8 s SER 128 Ca -0.04 -0.50 0.04 0.00 0.70 0.00 0.00 55.95 56.15 1vi8 s SER 128 Cb -0.05 -1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 63.01 1vi8 s SER 128 CO -0.05 -0.01 -0.10 -0.55 1.20 0.00 0.00 173.24 173.72 1vi8 s SER 129 N 1.22 1.41 -0.07 5.45 0.15 0.07 -0.27 113.70 121.67 1vi8 s SER 129 Ca -0.00 -0.77 0.03 0.00 0.70 0.00 0.00 55.95 55.91 1vi8 s SER 129 Cb -0.14 0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.19 1vi8 s SER 129 CO -0.07 -0.24 -0.15 -0.13 1.20 0.00 0.00 173.24 173.86 1vi8 s ARG 130 N -2.56 1.89 -0.09 5.44 3.00 -0.39 -0.32 118.95 125.92 1vi8 s ARG 130 Ca 0.03 -0.51 0.04 0.00 0.00 0.00 0.00 55.73 55.28 1vi8 s ARG 130 Cb -0.04 -1.55 -0.01 0.00 0.00 0.00 0.00 34.95 33.35 1vi8 s ARG 130 CO 0.00 0.09 -0.21 -1.17 0.00 0.00 0.00 175.30 174.01 1vi8 s LEU 131 N 0.49 2.28 -0.19 2.53 2.96 0.50 -1.58 118.68 125.67 1vi8 s LEU 131 Ca -0.13 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.28 1vi8 s LEU 131 Cb -0.15 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 1vi8 s LEU 131 CO 0.04 0.20 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.34 1vi8 s THR 132 N 0.14 3.59 0.26 3.68 2.01 0.51 0.06 115.64 125.89 1vi8 s THR 132 Ca -0.11 -0.44 0.11 0.00 0.31 0.00 0.00 61.69 61.56 1vi8 s THR 132 Cb -0.16 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 1vi8 s THR 132 CO 0.06 0.45 -0.11 0.42 -0.69 0.00 0.00 174.62 174.74 1vi8 s THR 133 N 1.03 2.93 0.00 -0.82 -4.23 -0.42 -0.31 115.64 113.82 1vi8 s THR 133 Ca 0.01 -2.12 0.07 0.00 -1.18 0.00 0.00 61.69 58.47 1vi8 s THR 133 Cb -0.15 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 1vi8 s THR 133 CO 0.01 -0.34 -0.21 0.00 -0.54 0.00 0.00 174.62 173.54 1vi8 s ALA 134 N -2.31 2.45 -0.35 3.99 0.00 0.26 -1.76 121.76 124.04 1vi8 s ALA 134 Ca 0.29 -1.14 -0.15 0.00 0.00 0.00 0.00 51.96 50.97 1vi8 s ALA 134 Cb -0.06 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 1vi8 s ALA 134 CO 0.17 0.55 0.35 0.42 0.00 0.00 0.00 175.76 177.25 1vi8 s ILE 135 N -0.78 5.18 -0.12 0.00 1.01 0.22 -1.10 121.20 125.60 1vi8 s ILE 135 Ca 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.69 1vi8 s ILE 135 Cb -0.10 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1vi8 s ILE 135 CO 0.02 -0.12 0.07 -0.76 0.00 0.00 0.00 174.94 174.15 1vi8 s LEU 136 N 1.98 3.93 0.00 2.97 1.43 0.11 -4.88 118.68 124.23 1vi8 s LEU 136 Ca 0.11 0.25 0.30 0.00 -1.03 0.00 0.00 54.13 53.76 1vi8 s LEU 136 Cb -0.17 -1.94 1.79 0.00 0.03 0.00 0.00 46.19 45.90 1vi8 s LEU 136 CO 0.12 0.34 2.12 -0.62 0.23 0.00 0.00 176.35 178.54