#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ftr n ASN 5 N 0.00 -1.00 -3.77 0.00 3.02 -1.26 -4.87 115.26 107.38 2ftr n ASN 5 Ca 0.00 -1.11 -0.15 0.00 -0.03 0.00 0.00 54.58 53.29 2ftr n ASN 5 Cb 0.00 -2.57 -0.16 0.00 -0.61 0.00 0.00 39.78 36.44 2ftr n ASN 5 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ftr s VAL 8 N -3.96 -0.06 0.01 2.41 1.01 -1.26 -1.29 120.40 117.26 2ftr s VAL 8 Ca 0.11 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.31 2ftr s VAL 8 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.24 2ftr s VAL 8 CO 0.92 0.09 -0.02 -1.59 0.00 0.00 0.00 175.10 174.50 2ftr s LYS 9 N 1.06 0.17 -0.03 2.72 -2.85 -0.31 -1.61 119.74 118.90 2ftr s LYS 9 Ca -0.09 -0.24 -0.21 0.00 -1.00 0.00 0.00 55.97 54.44 2ftr s LYS 9 Cb -0.13 -0.03 -0.05 0.00 -2.06 0.00 0.00 37.83 35.56 2ftr s LYS 9 CO -0.03 0.00 0.60 -1.17 0.10 0.00 0.00 175.35 174.85 2ftr s LEU 10 N -0.52 4.39 -0.16 2.77 2.96 -1.26 -0.62 118.68 126.24 2ftr s LEU 10 Ca -0.05 1.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.99 2ftr s LEU 10 Cb -0.04 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.74 2ftr s LEU 10 CO -0.00 0.06 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.29 2ftr s ILE 11 N 0.05 2.48 -0.22 6.68 1.01 -1.26 -4.26 121.20 125.68 2ftr s ILE 11 Ca 0.31 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 2ftr s ILE 11 Cb -0.18 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 2ftr s ILE 11 CO 0.16 0.52 0.04 0.00 0.00 0.00 0.00 174.94 175.67 2ftr s ALA 12 N 0.96 3.15 -0.15 9.38 0.00 0.12 -4.24 121.76 130.98 2ftr s ALA 12 Ca -0.03 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.94 2ftr s ALA 12 Cb -0.15 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.06 2ftr s ALA 12 CO -0.03 -0.24 -0.20 -1.17 0.00 0.00 0.00 175.76 174.13 2ftr s LEU 13 N 1.15 2.01 -0.15 0.00 2.96 -0.09 -0.67 118.68 123.90 2ftr s LEU 13 Ca 0.04 -0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 53.34 2ftr s LEU 13 Cb -0.14 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 2ftr s LEU 13 CO 0.03 0.04 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.72 2ftr s TYR 14 N 1.03 2.98 0.98 5.38 1.51 -0.00 -0.87 117.35 128.36 2ftr s TYR 14 Ca -0.03 -0.35 -0.15 0.00 -1.01 0.00 0.00 57.07 55.54 2ftr s TYR 14 Cb -0.14 -1.92 0.18 0.00 -0.11 0.00 0.00 41.96 39.96 2ftr s TYR 14 CO -0.06 -0.05 1.17 -1.21 -1.11 0.00 0.00 175.55 174.29 2ftr s GLU 15 N 0.30 0.55 0.06 -0.62 2.02 -0.10 -0.37 118.70 120.53 2ftr s GLU 15 Ca -0.05 0.06 -0.30 0.00 0.02 0.00 0.00 54.97 54.69 2ftr s GLU 15 Cb -0.14 -1.79 -0.09 0.00 0.10 0.00 0.00 34.13 32.21 2ftr s GLU 15 CO 0.03 -2.56 1.81 -0.65 0.02 0.00 0.00 175.26 173.92 2ftr s GLN 16 N -5.45 4.16 0.56 1.61 -1.52 -1.00 -4.40 119.66 113.62 2ftr s GLN 16 Ca 0.67 2.49 -0.16 0.00 -1.95 0.00 0.00 55.36 56.42 2ftr s GLN 16 Cb -0.11 -3.84 -0.06 0.00 -0.22 0.00 0.00 33.01 28.78 2ftr s GLN 16 CO 0.54 -0.86 1.02 -1.25 -0.25 0.00 0.00 175.29 174.49 2ftr s PRO 17 N 3.47 3.65 0.18 2.91 0.04 -1.26 -4.98 135.00 139.00 2ftr s PRO 17 Ca 0.81 1.04 -0.02 0.00 0.04 0.00 0.00 61.00 62.87 2ftr s PRO 17 Cb -0.42 -2.09 0.08 0.00 0.04 0.00 0.00 34.50 32.11 2ftr s PRO 17 CO 0.36 -0.53 1.45 0.93 0.04 0.00 0.00 177.00 179.26 2ftr h GLU 18 N 0.59 0.43 -3.93 4.56 3.07 -2.01 -3.39 114.58 113.92 2ftr h GLU 18 Ca -0.47 -0.33 -0.64 0.00 -0.50 0.00 0.00 59.36 57.42 2ftr h GLU 18 Cb 1.20 0.06 -0.40 0.00 -0.84 0.00 0.00 28.75 28.77 2ftr h GLU 18 CO 0.60 0.96 -0.70 0.34 -1.40 0.00 0.00 179.01 178.81 2ftr s ASP 19 N -6.96 4.40 0.34 1.42 -1.08 -1.26 -4.99 116.67 108.55 2ftr s ASP 19 Ca -0.06 -2.44 0.05 0.00 -0.52 0.00 0.00 52.55 49.58 2ftr s ASP 19 Cb 0.11 -1.48 0.63 0.00 -1.46 0.00 0.00 42.92 40.71 2ftr s ASP 19 CO 0.84 -0.32 1.88 0.11 0.52 0.00 0.00 175.17 178.20 2ftr h LYS 20 N 7.19 0.48 -0.24 4.34 1.57 -2.00 -1.48 116.57 126.44 2ftr h LYS 20 Ca -0.06 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2ftr h LYS 20 Cb 0.97 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 2ftr h LYS 20 CO 0.57 0.53 0.10 0.37 -0.57 0.00 0.00 179.45 180.45 2ftr h GLN 21 N 0.46 0.35 -0.52 3.15 4.15 -1.97 0.11 115.11 120.84 2ftr h GLN 21 Ca 0.10 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.40 2ftr h GLN 21 Cb 0.34 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 2ftr h GLN 21 CO 0.01 0.38 0.08 0.00 -1.93 0.00 0.00 178.83 177.38 2ftr h ALA 22 N 0.95 0.69 0.00 3.38 0.00 -1.95 -0.90 119.26 121.43 2ftr h ALA 22 Ca 0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ftr h ALA 22 Cb 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2ftr h ALA 22 CO -0.01 0.42 -0.00 0.35 0.00 0.00 0.00 179.25 180.01 2ftr h PHE 23 N 0.74 -0.00 -0.58 0.00 3.04 -1.10 -1.20 116.94 117.84 2ftr h PHE 23 Ca 0.16 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.08 2ftr h PHE 23 Cb 0.40 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 2ftr h PHE 23 CO 0.03 0.01 0.26 -0.44 -2.02 0.00 0.00 178.31 176.15 2ftr h ASP 24 N -0.01 0.77 0.00 0.41 3.32 -0.67 0.21 116.42 120.45 2ftr h ASP 24 Ca -0.00 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 56.93 2ftr h ASP 24 Cb 0.01 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.31 2ftr h ASP 24 CO 0.00 0.70 -0.42 -0.08 -1.72 0.00 0.00 179.24 177.72 2ftr h GLU 25 N 0.79 -0.55 -0.35 3.56 4.22 -1.05 -1.36 114.58 119.85 2ftr h GLU 25 Ca 0.20 0.04 -0.09 0.00 0.08 0.00 0.00 59.36 59.58 2ftr h GLU 25 Cb 0.15 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2ftr h GLU 25 CO -0.02 -0.37 -0.15 1.25 -2.18 0.00 0.00 179.01 177.54 2ftr h HIS 26 N -0.57 0.82 0.48 0.92 2.76 -0.94 -1.38 115.15 117.23 2ftr h HIS 26 Ca 0.05 -0.20 -0.02 0.00 -2.20 0.00 0.00 60.37 57.99 2ftr h HIS 26 Cb 0.65 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.43 2ftr h HIS 26 CO -0.42 0.91 -0.23 -0.92 -1.30 0.00 0.00 177.93 175.96 2ftr h TYR 27 N 0.49 -0.60 0.05 5.26 3.20 -0.49 0.14 116.97 125.03 2ftr h TYR 27 Ca 0.08 -0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.70 2ftr h TYR 27 Cb 0.68 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 2ftr h TYR 27 CO 0.06 -0.35 -1.06 0.74 -1.64 0.00 0.00 178.16 175.91 2ftr h PHE 28 N -0.70 0.25 0.00 -3.82 0.04 -1.29 0.13 116.94 111.55 2ftr h PHE 28 Ca -0.07 -0.17 -0.17 0.00 2.80 0.00 0.00 57.97 60.36 2ftr h PHE 28 Cb 0.52 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 2ftr h PHE 28 CO -0.03 1.10 -1.52 0.09 -0.60 0.00 0.00 178.31 177.34 2ftr n ASN 29 N -3.50 0.72 0.01 2.17 3.02 -0.52 -4.50 115.26 112.66 2ftr n ASN 29 Ca -0.04 0.32 -0.00 0.00 -0.03 0.00 0.00 54.58 54.82 2ftr n ASN 29 Cb 0.94 0.38 -0.00 0.00 -0.61 0.00 0.00 39.78 40.49 2ftr n ASN 29 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2ftr n THR 30 N -2.82 0.39 -0.02 3.41 -1.04 -0.42 -4.75 114.28 109.03 2ftr n THR 30 Ca -0.11 0.12 -0.13 0.00 -2.04 0.00 0.00 64.05 61.89 2ftr n THR 30 Cb 0.83 -1.53 -0.10 0.00 -1.82 0.00 0.00 70.33 67.71 2ftr n THR 30 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2ftr h HIS 31 N -0.02 0.08 -0.34 -1.42 -0.00 -0.50 -2.60 115.15 110.35 2ftr h HIS 31 Ca -0.01 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.35 2ftr h HIS 31 Cb 0.71 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.08 2ftr h HIS 31 CO -0.00 0.57 0.20 0.00 -0.00 0.00 0.00 177.93 178.70 2ftr h ALA 32 N 0.50 0.43 -0.91 5.26 0.00 -0.99 -1.03 119.26 122.52 2ftr h ALA 32 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2ftr h ALA 32 Cb 0.56 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2ftr h ALA 32 CO 0.01 -0.15 0.59 -1.35 0.00 0.00 0.00 179.25 178.35 2ftr h PRO 33 N 0.41 0.92 -0.48 0.00 0.11 -1.79 -0.16 132.00 131.02 2ftr h PRO 33 Ca 0.13 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 2ftr h PRO 33 Cb -0.01 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 2ftr h PRO 33 CO -0.06 0.61 0.24 -0.07 -0.21 0.00 0.00 178.00 178.51 2ftr h LEU 34 N 0.95 0.62 -0.79 2.35 3.38 -0.92 -2.81 115.31 118.08 2ftr h LEU 34 Ca 0.41 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 2ftr h LEU 34 Cb 0.33 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2ftr h LEU 34 CO -0.17 0.56 0.03 0.74 0.09 0.00 0.00 178.44 179.69 2ftr h THR 35 N 0.63 1.25 0.00 0.22 2.02 -0.62 -2.37 112.91 114.04 2ftr h THR 35 Ca 0.16 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2ftr h THR 35 Cb 0.10 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2ftr h THR 35 CO -0.02 0.38 0.00 0.54 0.37 0.00 0.00 175.52 176.79 2ftr n ARG 36 N -4.20 0.12 0.00 6.66 1.74 -0.13 -1.52 116.66 119.33 2ftr n ARG 36 Ca 0.03 0.48 0.14 0.00 -0.77 0.00 0.00 57.85 57.73 2ftr n ARG 36 Cb 0.31 -1.79 0.58 0.00 -1.02 0.00 0.00 32.46 30.54 2ftr n ARG 36 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2ftr n LYS 37 N -2.02 0.14 -2.16 5.56 5.02 -0.89 -4.92 118.16 118.89 2ftr n LYS 37 Ca 0.01 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 2ftr n LYS 37 Cb 0.12 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 2ftr n LYS 37 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2ftr s ILE 38 N -2.87 3.70 0.27 -0.18 1.01 -0.58 -4.92 121.20 117.63 2ftr s ILE 38 Ca 0.17 1.00 -0.31 0.00 0.00 0.00 0.00 60.65 61.51 2ftr s ILE 38 Cb 0.19 -3.64 -0.12 0.00 0.01 0.00 0.00 42.46 38.90 2ftr s ILE 38 CO 0.54 -0.04 1.64 -2.65 0.00 0.00 0.00 174.94 174.44 2ftr n PRO 39 N 6.08 2.76 0.00 2.79 -0.02 -1.26 -2.43 135.00 142.91 2ftr n PRO 39 Ca 0.15 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.61 2ftr n PRO 39 Cb 0.43 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 2ftr n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ftr n GLY 40 N 2.68 1.19 3.69 -1.23 0.00 -1.26 -4.69 105.19 105.57 2ftr n GLY 40 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2ftr n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ftr s LEU 41 N 0.00 4.37 -0.19 0.99 2.96 -1.02 -4.52 118.68 121.27 2ftr s LEU 41 Ca 0.00 2.52 0.11 0.00 -0.22 0.00 0.00 54.13 56.53 2ftr s LEU 41 Cb 0.00 -3.56 -0.19 0.00 0.50 0.00 0.00 46.19 42.94 2ftr s LEU 41 CO 0.00 -0.91 -0.04 0.54 -1.32 0.00 0.00 176.35 174.62 2ftr n ARG 42 N 5.80 0.90 -1.03 1.98 5.12 0.02 -5.04 116.66 124.41 2ftr n ARG 42 Ca 0.16 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.13 2ftr n ARG 42 Cb 0.40 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.25 2ftr n ARG 42 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2ftr n ASP 43 N -2.85 0.00 -3.65 0.55 2.03 -1.23 -4.99 116.55 106.42 2ftr n ASP 43 Ca -0.33 -0.84 -0.00 0.00 0.52 0.00 0.00 54.79 54.14 2ftr n ASP 43 Cb 1.02 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.36 2ftr n ASP 43 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2ftr s LYS 45 N -1.52 0.22 -0.17 -0.67 1.02 -0.12 -1.02 119.74 117.49 2ftr s LYS 45 Ca 0.00 0.39 -0.03 0.00 0.02 0.00 0.00 55.97 56.35 2ftr s LYS 45 Cb 0.00 0.04 -0.02 0.00 -0.52 0.00 0.00 37.83 37.34 2ftr s LYS 45 CO 0.00 -0.05 -0.07 0.08 -0.92 0.00 0.00 175.35 174.39 2ftr s VAL 46 N 1.19 3.45 -0.20 3.17 1.01 -1.26 -0.95 120.40 126.81 2ftr s VAL 46 Ca -0.09 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 2ftr s VAL 46 Cb -0.03 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2ftr s VAL 46 CO -0.12 0.48 -0.14 -0.89 0.00 0.00 0.00 175.10 174.43 2ftr s THR 47 N 0.71 2.60 -0.09 3.92 2.01 -1.26 -5.02 115.64 118.51 2ftr s THR 47 Ca -0.03 -0.76 -0.28 0.00 0.31 0.00 0.00 61.69 60.93 2ftr s THR 47 Cb -0.15 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 2ftr s THR 47 CO 0.02 0.49 0.92 -0.13 -0.69 0.00 0.00 174.62 175.24 2ftr s ARG 48 N 1.36 4.43 -0.30 4.92 3.00 -1.26 -4.41 118.95 126.69 2ftr s ARG 48 Ca 0.05 1.25 -0.19 0.00 0.00 0.00 0.00 55.73 56.84 2ftr s ARG 48 Cb -0.14 -3.52 -0.01 0.00 0.00 0.00 0.00 34.95 31.28 2ftr s ARG 48 CO -0.09 -0.21 0.57 0.42 0.00 0.00 0.00 175.30 176.00 2ftr s ILE 49 N 1.66 4.99 -1.88 1.52 -1.09 -0.32 -4.92 121.20 121.15 2ftr s ILE 49 Ca 0.46 0.78 0.19 0.00 -2.23 0.00 0.00 60.65 59.85 2ftr s ILE 49 Cb -0.18 -3.94 0.03 0.00 -1.58 0.00 0.00 42.46 36.79 2ftr s ILE 49 CO 0.19 -0.08 0.99 1.33 -1.23 0.00 0.00 174.94 176.14 2ftr n VAL 50 N 5.32 0.00 -3.94 2.92 0.24 -1.26 -4.71 118.33 116.90 2ftr n VAL 50 Ca -0.03 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 2ftr n VAL 50 Cb 0.49 1.27 0.00 0.00 -1.47 0.00 0.00 33.84 34.13 2ftr n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ftr n GLY 51 N 1.21 -1.27 3.66 7.63 0.00 -1.26 -4.89 105.19 110.27 2ftr n GLY 51 Ca 0.09 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 2ftr n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ftr s SER 52 N -4.00 4.11 0.00 1.61 1.04 -1.26 -4.52 113.70 110.68 2ftr s SER 52 Ca 0.00 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.24 2ftr s SER 52 Cb 0.00 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.67 2ftr s SER 52 CO 0.00 -0.43 0.00 -2.65 0.98 0.00 0.00 173.24 171.14 2ftr n PRO 53 N -1.05 0.00 0.00 4.02 -0.02 -1.26 -4.70 135.00 132.00 2ftr n PRO 53 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2ftr n PRO 53 Cb 0.65 -0.82 0.00 0.00 -0.02 0.00 0.00 33.50 33.31 2ftr n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ftr n GLY 55 N 0.32 -0.72 3.89 -1.23 0.00 -1.26 -5.22 105.19 100.97 2ftr n GLY 55 Ca 0.00 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2ftr n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ftr s GLU 56 N 0.00 3.60 0.09 1.61 8.01 -1.26 -4.56 118.70 126.18 2ftr s GLU 56 Ca 0.00 0.35 0.05 0.00 0.01 0.00 0.00 54.97 55.39 2ftr s GLU 56 Cb 0.00 -2.32 -0.04 0.00 -4.31 0.00 0.00 34.13 27.46 2ftr s GLU 56 CO 0.00 -0.24 -0.03 0.45 0.01 0.00 0.00 175.26 175.44 2ftr s SER 57 N -3.95 4.83 0.55 -0.19 0.15 -1.26 -4.08 113.70 109.76 2ftr s SER 57 Ca 0.50 -0.23 0.23 0.00 0.70 0.00 0.00 55.95 57.15 2ftr s SER 57 Cb -0.10 -1.09 1.51 0.00 -1.71 0.00 0.00 66.02 64.62 2ftr s SER 57 CO 0.44 0.19 2.16 0.50 1.20 0.00 0.00 173.24 177.72 2ftr h LYS 58 N 3.59 0.00 -6.21 5.44 3.64 -1.98 -3.44 116.57 117.60 2ftr h LYS 58 Ca -0.48 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.29 2ftr h LYS 58 Cb 1.17 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.90 2ftr h LYS 58 CO 0.57 0.00 -0.59 -0.06 -2.27 0.00 0.00 179.45 177.10 2ftr s PHE 59 N -4.87 3.14 -0.01 1.91 0.08 -1.26 -2.37 117.98 114.61 2ftr s PHE 59 Ca -0.05 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.02 2ftr s PHE 59 Cb 0.16 -1.56 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 2ftr s PHE 59 CO 0.62 0.52 -0.00 0.98 -0.10 0.00 0.00 175.22 177.23 2ftr n TYR 60 N 0.09 0.00 -3.52 0.36 9.36 0.50 -4.77 117.16 119.18 2ftr n TYR 60 Ca -0.09 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.10 2ftr n TYR 60 Cb 0.53 -0.03 -0.00 0.00 -0.63 0.00 0.00 39.34 39.20 2ftr n TYR 60 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 2ftr n LEU 61 N -2.38 0.00 -3.65 2.98 0.00 -1.14 -1.17 117.00 111.63 2ftr n LEU 61 Ca -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 56.01 55.18 2ftr n LEU 61 Cb 0.52 0.87 -0.07 0.00 0.00 0.00 0.00 43.42 44.74 2ftr n LEU 61 CO 0.01 -0.21 0.84 0.00 0.00 0.00 0.00 177.39 178.03 2ftr s GLU 64 N 0.87 2.16 -0.28 0.00 2.02 -0.13 -0.70 118.70 122.63 2ftr s GLU 64 Ca -0.04 -2.11 -0.19 0.00 0.02 0.00 0.00 54.97 52.64 2ftr s GLU 64 Cb -0.04 -1.77 0.12 0.00 0.10 0.00 0.00 34.13 32.54 2ftr s GLU 64 CO -0.12 -0.26 0.91 0.71 0.02 0.00 0.00 175.26 176.52 2ftr s TYR 66 N -2.74 -0.66 0.28 1.61 1.51 -0.19 -0.94 117.35 116.22 2ftr s TYR 66 Ca 0.27 1.41 0.06 0.00 -1.01 0.00 0.00 57.07 57.80 2ftr s TYR 66 Cb 0.04 0.40 -0.06 0.00 -0.11 0.00 0.00 41.96 42.23 2ftr s TYR 66 CO 0.15 -0.32 -0.03 0.71 -1.11 0.00 0.00 175.55 174.94 2ftr s TYR 67 N 0.99 1.91 0.35 2.71 2.02 -0.63 -0.80 117.35 123.90 2ftr s TYR 67 Ca -0.05 -0.76 0.11 0.00 -0.37 0.00 0.00 57.07 56.00 2ftr s TYR 67 Cb -0.04 -1.13 0.66 0.00 -0.40 0.00 0.00 41.96 41.05 2ftr s TYR 67 CO -0.12 0.20 1.80 -0.44 -1.57 0.00 0.00 175.55 175.43 2ftr h ASP 68 N 2.27 0.08 -5.66 2.29 3.32 -1.86 -3.34 116.42 113.52 2ftr h ASP 68 Ca -0.40 -0.03 0.28 0.00 0.02 0.00 0.00 57.03 56.90 2ftr h ASP 68 Cb 1.23 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.67 2ftr h ASP 68 CO 0.68 0.44 0.75 1.51 -1.72 0.00 0.00 179.24 180.89 2ftr s ASP 69 N -6.91 -0.06 0.18 6.45 1.47 -1.26 -4.78 116.67 111.75 2ftr s ASP 69 Ca -0.03 -0.26 -0.12 0.00 1.18 0.00 0.00 52.55 53.32 2ftr s ASP 69 Cb 0.14 0.26 0.09 0.00 -0.34 0.00 0.00 42.92 43.08 2ftr s ASP 69 CO 0.74 -0.49 1.78 0.45 0.68 0.00 0.00 175.17 178.32 2ftr h HIS 70 N 2.00 0.88 -0.94 2.11 3.86 -1.97 -2.19 115.15 118.91 2ftr h HIS 70 Ca -0.28 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 58.92 2ftr h HIS 70 Cb 1.21 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 29.35 2ftr h HIS 70 CO 0.61 0.65 0.62 1.49 0.86 0.00 0.00 177.93 182.16 2ftr h GLU 71 N 0.86 1.19 -0.61 2.45 4.22 -1.99 -1.00 114.58 119.70 2ftr h GLU 71 Ca 0.22 -0.07 -0.08 0.00 0.08 0.00 0.00 59.36 59.50 2ftr h GLU 71 Cb 0.09 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2ftr h GLU 71 CO -0.03 0.78 0.05 0.77 -2.18 0.00 0.00 179.01 178.41 2ftr h SER 72 N 1.22 1.01 -0.40 1.04 0.02 -1.88 -0.58 113.55 113.98 2ftr h SER 72 Ca 0.36 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2ftr h SER 72 Cb -0.07 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 2ftr h SER 72 CO -0.10 1.04 0.19 0.25 -1.14 0.00 0.00 176.83 177.06 2ftr h LEU 73 N 0.94 0.52 -0.67 5.07 5.85 -0.97 0.70 115.31 126.76 2ftr h LEU 73 Ca 0.18 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2ftr h LEU 73 Cb 0.49 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2ftr h LEU 73 CO 0.02 0.51 0.40 1.56 -0.34 0.00 0.00 178.44 180.59 2ftr h GLN 74 N 0.50 0.91 -0.56 1.25 1.08 -0.91 -2.45 115.11 114.92 2ftr h GLN 74 Ca 0.14 -0.09 -0.10 0.00 -1.45 0.00 0.00 58.65 57.15 2ftr h GLN 74 Cb 0.13 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 2ftr h GLN 74 CO -0.02 0.65 -0.04 1.96 -0.95 0.00 0.00 178.83 180.44 2ftr h GLN 75 N 0.91 1.02 -1.97 1.46 1.08 -0.96 -3.12 115.11 113.53 2ftr h GLN 75 Ca 0.24 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2ftr h GLN 75 Cb -0.02 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 2ftr h GLN 75 CO -0.04 1.03 0.00 0.00 -0.95 0.00 0.00 178.83 178.86 2ftr n ALA 76 N -2.48 1.45 0.00 3.87 0.00 0.23 -2.29 120.51 121.28 2ftr n ALA 76 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2ftr n ALA 76 Cb 0.36 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2ftr n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ftr n ARG 78 N 1.02 0.00 -1.07 0.00 1.74 -1.18 -3.79 116.66 113.39 2ftr n ARG 78 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 2ftr n ARG 78 Cb 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.57 2ftr n ARG 78 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2ftr s THR 79 N 0.00 2.75 0.30 0.55 -4.23 -0.97 -4.79 115.64 109.24 2ftr s THR 79 Ca 0.00 0.24 0.01 0.00 -1.18 0.00 0.00 61.69 60.76 2ftr s THR 79 Cb 0.00 -2.60 0.28 0.00 1.34 0.00 0.00 72.50 71.53 2ftr s THR 79 CO 0.00 -0.32 1.90 0.44 -0.54 0.00 0.00 174.62 176.10 2ftr h ASP 80 N -1.53 0.91 -0.35 3.99 3.32 -1.94 -0.49 116.42 120.33 2ftr h ASP 80 Ca -0.47 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.45 2ftr h ASP 80 Cb 1.26 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 2ftr h ASP 80 CO 0.50 0.58 -0.33 -0.33 -1.72 0.00 0.00 179.24 177.93 2ftr h GLU 81 N 1.03 0.85 -0.43 3.56 3.07 -1.91 -0.69 114.58 120.06 2ftr h GLU 81 Ca 0.40 -0.44 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 2ftr h GLU 81 Cb 0.23 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 2ftr h GLU 81 CO -0.16 1.08 0.22 0.78 -1.40 0.00 0.00 179.01 179.54 2ftr h GLY 82 N 0.64 0.65 1.17 -3.84 0.00 -1.53 -1.40 103.07 98.77 2ftr h GLY 82 Ca 0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 2ftr h GLY 82 CO 0.08 0.29 0.26 0.50 0.00 0.00 0.00 176.54 177.67 2ftr h LYS 83 N 0.56 1.05 -0.58 4.80 1.57 -1.00 -0.70 116.57 122.27 2ftr h LYS 83 Ca 0.15 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 2ftr h LYS 83 Cb 0.08 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2ftr h LYS 83 CO -0.02 0.87 0.01 0.00 -0.57 0.00 0.00 179.45 179.74 2ftr h ALA 84 N 1.26 0.77 -0.39 3.86 0.00 -0.89 -0.39 119.26 123.48 2ftr h ALA 84 Ca 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2ftr h ALA 84 Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2ftr h ALA 84 CO -0.02 0.60 0.14 1.03 0.00 0.00 0.00 179.25 181.00 2ftr h SER 85 N 0.90 0.56 -0.62 0.00 0.87 -1.03 -1.64 113.55 112.58 2ftr h SER 85 Ca 0.16 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2ftr h SER 85 Cb 0.53 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 2ftr h SER 85 CO 0.03 0.59 0.37 1.23 -0.53 0.00 0.00 176.83 178.52 2ftr h GLY 86 N 0.49 0.89 0.99 5.77 0.00 -0.89 -1.53 103.07 108.80 2ftr h GLY 86 Ca 0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 2ftr h GLY 86 CO -0.01 0.36 0.21 1.70 0.00 0.00 0.00 176.54 178.80 2ftr h LYS 87 N 0.84 0.88 -0.63 4.80 3.64 -1.01 -2.60 116.57 122.48 2ftr h LYS 87 Ca 0.22 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2ftr h LYS 87 Cb -0.03 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 2ftr h LYS 87 CO -0.04 0.77 0.41 0.22 -2.27 0.00 0.00 179.45 178.54 2ftr h ASP 88 N 0.81 0.74 0.00 4.20 3.58 -0.95 -2.62 116.42 122.17 2ftr h ASP 88 Ca 0.19 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2ftr h ASP 88 Cb 0.24 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2ftr h ASP 88 CO -0.01 0.55 0.00 0.00 -2.88 0.00 0.00 179.24 176.89 2ftr n ALA 89 N -2.28 1.70 0.00 -0.78 0.00 -0.60 -1.77 120.51 116.78 2ftr n ALA 89 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2ftr n ALA 89 Cb 0.03 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2ftr n ALA 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2ftr n LYS 91 N 1.22 0.00 0.03 0.00 4.81 -0.99 -1.16 118.16 122.07 2ftr n LYS 91 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 2ftr n LYS 91 Cb 0.07 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.03 2ftr n LYS 91 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2ftr h PHE 92 N 0.00 0.00 0.00 5.64 -0.00 -1.64 -3.40 116.94 117.54 2ftr h PHE 92 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 57.87 2ftr h PHE 92 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 35.93 2ftr h PHE 92 CO 0.00 0.70 -1.39 0.00 -0.00 0.00 0.00 178.31 177.62 2ftr n ALA 93 N -2.41 1.86 -0.52 12.09 0.00 -0.31 -4.96 120.51 126.25 2ftr n ALA 93 Ca -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2ftr n ALA 93 Cb 0.89 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.55 2ftr n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ftr n GLY 94 N 2.85 3.03 0.01 0.00 0.00 -0.68 -1.33 105.19 109.07 2ftr n GLY 94 Ca -0.10 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.88 2ftr n GLY 94 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ftr n LYS 95 N 14.00 0.01 0.29 1.61 2.85 -1.26 -1.87 118.16 133.79 2ftr n LYS 95 Ca 0.00 0.43 0.17 0.00 -1.05 0.00 0.00 58.31 57.86 2ftr n LYS 95 Cb 0.00 -1.52 0.84 0.00 -0.65 0.00 0.00 35.03 33.70 2ftr n LYS 95 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2ftr h LEU 96 N 0.00 0.00 -9.26 -5.58 3.38 -1.57 -3.45 115.31 98.84 2ftr h LEU 96 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2ftr h LEU 96 Cb 0.08 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.72 2ftr h LEU 96 CO 0.00 0.05 -0.32 -0.22 0.09 0.00 0.00 178.44 178.04 2ftr s LEU 97 N -6.56 4.22 -0.11 1.67 2.96 -0.78 -0.92 118.68 119.16 2ftr s LEU 97 Ca -0.02 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.38 2ftr s LEU 97 Cb 0.11 -2.37 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 2ftr s LEU 97 CO 0.52 0.07 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.55 2ftr s THR 98 N 0.66 2.62 0.43 3.68 2.01 -0.05 -4.99 115.64 120.01 2ftr s THR 98 Ca 0.16 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.41 2ftr s THR 98 Cb -0.13 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 2ftr s THR 98 CO 0.04 0.54 0.35 -0.76 -0.69 0.00 0.00 174.62 174.11 2ftr s LEU 99 N 0.25 3.25 -0.09 4.42 1.43 -1.26 -0.91 118.68 125.76 2ftr s LEU 99 Ca -0.12 -0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 52.06 2ftr s LEU 99 Cb -0.16 -1.82 0.05 0.00 0.03 0.00 0.00 46.19 44.29 2ftr s LEU 99 CO 0.06 -0.70 0.19 -0.63 0.23 0.00 0.00 176.35 175.50 2ftr s ILE 101 N -2.54 -0.21 0.17 -0.59 1.01 -1.26 -4.99 121.20 112.78 2ftr s ILE 101 Ca 0.45 0.27 0.11 0.00 0.00 0.00 0.00 60.65 61.48 2ftr s ILE 101 Cb -0.02 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 2ftr s ILE 101 CO 0.26 0.11 -0.24 -0.83 0.00 0.00 0.00 174.94 174.25 2ftr s GLY 102 N 1.90 1.59 -0.36 6.18 0.00 0.21 -5.00 107.32 111.86 2ftr s GLY 102 Ca -0.02 -1.54 -0.04 0.00 0.00 0.00 0.00 44.72 43.11 2ftr s GLY 102 CO -0.07 -1.56 0.12 -0.54 0.00 0.00 0.00 173.10 171.05 2ftr s GLU 103 N -2.46 2.39 0.93 2.90 2.02 -1.26 -1.16 118.70 122.07 2ftr s GLU 103 Ca 0.17 -1.41 -0.14 0.00 0.02 0.00 0.00 54.97 53.61 2ftr s GLU 103 Cb -0.08 -3.45 0.20 0.00 0.10 0.00 0.00 34.13 30.90 2ftr s GLU 103 CO 0.08 -0.80 1.28 -2.00 0.02 0.00 0.00 175.26 173.84 2ftr s GLU 104 N 1.29 0.72 0.00 1.61 2.12 -1.26 -5.02 118.70 118.16 2ftr s GLU 104 Ca 0.00 -0.57 0.16 0.00 0.36 0.00 0.00 54.97 54.93 2ftr s GLU 104 Cb -0.21 -1.92 0.13 0.00 0.26 0.00 0.00 34.13 32.39 2ftr s GLU 104 CO -0.00 -2.31 1.01 -0.25 -0.54 0.00 0.00 175.26 173.16