#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i45 s THR 5 N 0.00 3.11 -0.35 2.62 -4.23 -1.26 -5.02 115.64 110.52 2i45 s THR 5 Ca 0.00 0.80 -0.10 0.00 -1.18 0.00 0.00 61.69 61.21 2i45 s THR 5 Cb 0.00 -3.38 0.02 0.00 1.34 0.00 0.00 72.50 70.47 2i45 s THR 5 CO 0.00 -0.05 0.17 -0.63 -0.54 0.00 0.00 174.62 173.57 2i45 s ILE 6 N -1.60 4.45 -0.60 2.99 1.01 -1.26 -5.06 121.20 121.13 2i45 s ILE 6 Ca 0.66 -0.76 -0.28 0.00 0.00 0.00 0.00 60.65 60.28 2i45 s ILE 6 Cb -0.27 -3.41 0.02 0.00 0.01 0.00 0.00 42.46 38.81 2i45 s ILE 6 CO 0.33 -0.12 1.28 0.21 0.00 0.00 0.00 174.94 176.64 2i45 s ASN 7 N 1.55 6.30 0.08 3.58 3.84 -1.26 -4.92 114.94 124.10 2i45 s ASN 7 Ca 0.02 0.09 -0.35 0.00 0.21 0.00 0.00 52.86 52.83 2i45 s ASN 7 Cb -0.18 -2.55 -0.18 0.00 -0.55 0.00 0.00 41.25 37.78 2i45 s ASN 7 CO 0.06 -1.61 1.58 -0.07 -2.79 0.00 0.00 177.10 174.27 2i45 h LEU 8 N 12.48 -1.14 -0.67 3.21 4.07 -2.00 -2.11 115.31 129.15 2i45 h LEU 8 Ca -0.26 0.07 0.14 0.00 0.08 0.00 0.00 57.88 57.91 2i45 h LEU 8 Cb 1.07 0.34 -0.11 0.00 1.08 0.00 0.00 40.66 43.04 2i45 h LEU 8 CO 1.20 -0.68 0.06 0.11 -1.08 0.00 0.00 178.44 178.04 2i45 h LYS 9 N -1.07 0.16 -0.48 1.13 1.57 -1.99 -1.48 116.57 114.41 2i45 h LYS 9 Ca -0.09 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2i45 h LYS 9 Cb 0.87 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.08 2i45 h LYS 9 CO 0.07 0.10 -0.44 0.37 -0.57 0.00 0.00 179.45 178.99 2i45 h GLN 10 N 0.16 -0.18 -0.39 3.15 5.75 -1.93 0.36 115.11 122.03 2i45 h GLN 10 Ca 0.36 0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.76 2i45 h GLN 10 Cb 0.60 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 2i45 h GLN 10 CO -0.54 -0.12 -0.19 0.45 -2.65 0.00 0.00 178.83 175.78 2i45 h HIS 11 N -0.19 0.95 0.62 3.99 3.86 -1.06 -2.97 115.15 120.34 2i45 h HIS 11 Ca 0.08 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 59.03 2i45 h HIS 11 Cb 0.40 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2i45 h HIS 11 CO -0.82 0.99 -0.33 -0.07 0.86 0.00 0.00 177.93 178.57 2i45 h LEU 12 N 0.63 -0.80 -1.08 2.43 4.07 -1.23 -2.48 115.31 116.84 2i45 h LEU 12 Ca 0.09 0.04 0.32 0.00 0.08 0.00 0.00 57.88 58.40 2i45 h LEU 12 Cb 0.74 0.22 -0.14 0.00 1.08 0.00 0.00 40.66 42.57 2i45 h LEU 12 CO 0.06 -0.54 0.61 0.00 -1.08 0.00 0.00 178.44 177.49 2i45 h ALA 13 N -0.52 2.04 0.31 1.53 0.00 -0.28 -2.79 119.26 119.55 2i45 h ALA 13 Ca -0.08 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2i45 h ALA 13 Cb 0.69 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2i45 h ALA 13 CO 0.11 -0.61 -0.15 0.00 0.00 0.00 0.00 179.25 178.61 2i45 h ALA 14 N 1.78 -0.41 -2.34 0.00 0.00 -1.30 -3.43 119.26 113.56 2i45 h ALA 14 Ca 0.71 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 54.90 2i45 h ALA 14 Cb 1.68 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2i45 h ALA 14 CO -0.53 -0.58 1.03 -1.50 0.00 0.00 0.00 179.25 177.67 2i45 s ILE 15 N -4.80 3.42 -0.21 0.00 -1.16 -0.97 -4.90 121.20 112.58 2i45 s ILE 15 Ca -0.14 0.68 0.09 0.00 -0.51 0.00 0.00 60.65 60.76 2i45 s ILE 15 Cb 0.02 -3.44 0.18 0.00 0.61 0.00 0.00 42.46 39.84 2i45 s ILE 15 CO 0.56 -0.03 1.13 0.29 -2.81 0.00 0.00 174.94 174.07 2i45 n LYS 16 N 6.40 2.52 -4.33 3.50 4.76 -1.26 -4.96 118.16 124.78 2i45 n LYS 16 Ca 0.16 -2.02 -0.22 0.00 -2.87 0.00 0.00 58.31 53.37 2i45 n LYS 16 Cb 0.42 -1.27 -0.13 0.00 -1.84 0.00 0.00 35.03 32.22 2i45 n LYS 16 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2i45 s GLU 17 N -1.68 1.03 0.68 1.97 0.41 -1.26 -5.15 118.70 114.70 2i45 s GLU 17 Ca 0.17 -0.96 -0.12 0.00 -0.41 0.00 0.00 54.97 53.65 2i45 s GLU 17 Cb 0.13 -1.13 0.01 0.00 -1.78 0.00 0.00 34.13 31.36 2i45 s GLU 17 CO 0.04 0.27 1.07 0.71 -0.49 0.00 0.00 175.26 176.86 2i45 s TYR 18 N -1.05 2.95 -1.59 1.61 1.51 -1.26 -4.14 117.35 115.38 2i45 s TYR 18 Ca 0.03 1.48 -0.01 0.00 -1.01 0.00 0.00 57.07 57.56 2i45 s TYR 18 Cb -0.09 -2.96 0.00 0.00 -0.11 0.00 0.00 41.96 38.80 2i45 s TYR 18 CO 0.02 -1.34 0.07 0.91 -1.11 0.00 0.00 175.55 174.11 2i45 n TRP 19 N -2.88 -1.01 -3.71 2.71 7.02 -0.09 -4.95 117.44 114.53 2i45 n TRP 19 Ca 0.08 0.06 -0.29 0.00 -1.02 0.00 0.00 57.50 56.33 2i45 n TRP 19 Cb 0.53 -3.76 -0.13 0.00 -2.42 0.00 0.00 31.31 25.53 2i45 n TRP 19 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 2i45 s GLN 20 N -5.03 1.32 0.20 -0.99 2.00 -1.26 -5.06 119.66 110.84 2i45 s GLN 20 Ca 0.03 -2.05 -0.30 0.00 -2.00 0.00 0.00 55.36 51.04 2i45 s GLN 20 Cb -0.02 -2.35 -0.08 0.00 0.80 0.00 0.00 33.01 31.37 2i45 s GLN 20 CO 0.04 -1.17 1.16 -1.25 -0.50 0.00 0.00 175.29 173.58 2i45 s PRO 21 N 0.29 4.53 -0.30 1.67 0.05 -1.26 -4.69 135.00 135.29 2i45 s PRO 21 Ca 0.18 1.84 -0.18 0.00 0.05 0.00 0.00 61.00 62.89 2i45 s PRO 21 Cb -0.23 -3.24 -0.02 0.00 0.05 0.00 0.00 34.50 31.07 2i45 s PRO 21 CO -0.01 -0.01 0.51 -2.00 0.05 0.00 0.00 177.00 175.54 2i45 s GLU 22 N -0.49 3.88 0.04 4.56 2.12 0.13 -4.91 118.70 124.02 2i45 s GLU 22 Ca 0.51 0.10 -0.14 0.00 0.36 0.00 0.00 54.97 55.80 2i45 s GLU 22 Cb -0.32 -3.72 -0.06 0.00 0.26 0.00 0.00 34.13 30.29 2i45 s GLU 22 CO 0.37 -0.47 0.44 0.42 -0.54 0.00 0.00 175.26 175.47 2i45 s ILE 23 N 2.34 5.00 -0.05 -3.70 1.01 -1.26 -1.46 121.20 123.08 2i45 s ILE 23 Ca 0.20 0.78 -0.02 0.00 0.00 0.00 0.00 60.65 61.60 2i45 s ILE 23 Cb -0.15 -3.71 0.04 0.00 0.01 0.00 0.00 42.46 38.64 2i45 s ILE 23 CO 0.11 0.47 0.10 -0.63 0.00 0.00 0.00 174.94 174.99 2i45 s ILE 24 N -1.20 -0.14 0.00 2.92 1.01 -0.45 -5.00 121.20 118.34 2i45 s ILE 24 Ca 0.28 0.32 0.02 0.00 0.00 0.00 0.00 60.65 61.27 2i45 s ILE 24 Cb -0.16 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 2i45 s ILE 24 CO 0.16 0.13 -0.01 0.20 0.00 0.00 0.00 174.94 175.42 2i45 s ASN 25 N 1.81 5.02 -0.36 3.58 -0.87 -1.26 -0.44 114.94 122.41 2i45 s ASN 25 Ca -0.01 -0.05 0.04 0.00 -1.57 0.00 0.00 52.86 51.28 2i45 s ASN 25 Cb -0.12 -1.28 0.19 0.00 -0.02 0.00 0.00 41.25 40.02 2i45 s ASN 25 CO -0.04 0.27 0.69 -0.60 -2.57 0.00 0.00 177.10 174.85 2i45 s ARG 26 N -1.57 0.64 7.64 -0.60 3.52 -0.66 -5.02 118.95 122.90 2i45 s ARG 26 Ca 0.19 -0.00 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 2i45 s ARG 26 Cb -0.11 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.40 2i45 s ARG 26 CO 0.10 -0.99 0.00 0.72 -0.81 0.00 0.00 175.30 174.32 2i45 n HIS 27 N 4.63 0.00 0.28 5.12 8.25 -1.26 -2.12 115.22 130.12 2i45 n HIS 27 Ca 0.09 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.71 2i45 n HIS 27 Cb 0.57 0.00 0.78 0.00 1.12 0.00 0.00 29.99 32.46 2i45 n HIS 27 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2i45 h GLY 28 N 0.00 0.00 -5.79 -1.41 0.00 -1.96 -3.45 103.07 90.46 2i45 h GLY 28 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2i45 h GLY 28 CO 0.00 0.00 -0.29 -1.36 0.00 0.00 0.00 176.54 174.89 2i45 s PHE 29 N -3.90 3.48 -0.23 5.60 0.08 -0.90 -3.67 117.98 118.44 2i45 s PHE 29 Ca -0.01 0.66 -0.11 0.00 0.12 0.00 0.00 56.93 57.59 2i45 s PHE 29 Cb 0.11 -2.37 -0.05 0.00 -0.57 0.00 0.00 43.02 40.14 2i45 s PHE 29 CO 0.54 0.25 0.20 -1.14 -0.10 0.00 0.00 175.22 174.97 2i45 s GLN 30 N 0.40 4.09 -0.10 0.44 0.74 -0.67 -1.65 119.66 122.90 2i45 s GLN 30 Ca 0.18 -0.19 -0.03 0.00 0.05 0.00 0.00 55.36 55.37 2i45 s GLN 30 Cb -0.13 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.40 2i45 s GLN 30 CO 0.05 0.05 0.02 -0.06 -0.55 0.00 0.00 175.29 174.80 2i45 s PHE 31 N 1.09 3.21 -0.11 1.67 0.08 0.42 -0.31 117.98 124.03 2i45 s PHE 31 Ca 0.09 0.19 0.03 0.00 0.12 0.00 0.00 56.93 57.36 2i45 s PHE 31 Cb -0.14 -1.84 -0.00 0.00 -0.57 0.00 0.00 43.02 40.47 2i45 s PHE 31 CO 0.05 0.44 -0.21 -1.01 -0.10 0.00 0.00 175.22 174.39 2i45 s HIS 32 N -0.72 2.63 -0.19 0.36 3.76 0.12 -1.34 115.29 119.91 2i45 s HIS 32 Ca 0.11 -0.95 -0.01 0.00 -0.15 0.00 0.00 55.06 54.06 2i45 s HIS 32 Cb -0.12 -1.75 0.00 0.00 1.11 0.00 0.00 32.58 31.83 2i45 s HIS 32 CO 0.02 -0.37 -0.12 -0.51 -0.85 0.00 0.00 174.74 172.91 2i45 s LEU 33 N 0.35 2.54 0.04 0.89 1.02 -0.53 -0.04 118.68 122.95 2i45 s LEU 33 Ca -0.17 -0.49 -0.03 0.00 0.02 0.00 0.00 54.13 53.47 2i45 s LEU 33 Cb -0.17 -1.61 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 2i45 s LEU 33 CO 0.08 0.02 0.02 -0.69 0.02 0.00 0.00 176.35 175.80 2i45 s VAL 34 N 1.20 0.16 -0.04 -1.59 1.01 -0.72 0.17 120.40 120.59 2i45 s VAL 34 Ca 0.02 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 60.66 2i45 s VAL 34 Cb -0.14 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2i45 s VAL 34 CO -0.05 -0.75 -0.05 -0.54 0.00 0.00 0.00 175.10 173.71 2i45 s LYS 35 N -2.99 2.73 0.04 2.72 1.02 -1.26 -0.15 119.74 121.85 2i45 s LYS 35 Ca -0.02 -0.59 0.06 0.00 0.02 0.00 0.00 55.97 55.44 2i45 s LYS 35 Cb 0.01 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 2i45 s LYS 35 CO -0.06 0.65 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.37 2i45 s LEU 36 N -1.09 2.87 -0.08 3.17 1.02 -0.18 -0.91 118.68 123.47 2i45 s LEU 36 Ca 0.15 -0.32 -0.09 0.00 0.02 0.00 0.00 54.13 53.88 2i45 s LEU 36 Cb -0.11 -1.67 0.02 0.00 0.02 0.00 0.00 46.19 44.45 2i45 s LEU 36 CO 0.04 0.25 0.25 -0.22 0.02 0.00 0.00 176.35 176.70 2i45 s LEU 37 N -1.55 1.04 0.00 1.79 2.96 -1.26 -1.87 118.68 119.79 2i45 s LEU 37 Ca 0.17 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.51 2i45 s LEU 37 Cb -0.11 0.90 0.00 0.00 0.50 0.00 0.00 46.19 47.48 2i45 s LEU 37 CO 0.07 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.57 2i45 n GLY 38 N 2.70 0.78 3.55 7.98 0.00 -0.77 -4.78 105.19 114.63 2i45 n GLY 38 Ca -0.14 -0.96 -0.07 0.00 0.00 0.00 0.00 46.02 44.85 2i45 n GLY 38 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2i45 s ASP 39 N -4.00 -0.31 -0.29 1.61 1.47 -1.26 -1.26 116.67 112.63 2i45 s ASP 39 Ca 0.00 -0.05 0.18 0.00 1.18 0.00 0.00 52.55 53.86 2i45 s ASP 39 Cb 0.00 0.36 0.48 0.00 -0.34 0.00 0.00 42.92 43.43 2i45 s ASP 39 CO 0.00 -0.60 1.09 -1.22 0.68 0.00 0.00 175.17 175.12 2i45 n TYR 40 N -0.26 1.67 -4.82 2.11 4.02 -1.26 -5.09 117.16 113.53 2i45 n TYR 40 Ca -0.07 -2.35 0.00 0.00 -0.01 0.00 0.00 57.90 55.47 2i45 n TYR 40 Cb 0.61 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 2i45 n TYR 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2i45 n GLY 41 N -0.51 0.77 3.71 2.72 0.00 -1.26 -4.93 105.19 105.70 2i45 n GLY 41 Ca 0.17 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 2i45 n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2i45 s TRP 42 N 0.00 3.14 0.35 1.61 0.52 -1.26 -4.29 118.94 119.00 2i45 s TRP 42 Ca 0.00 0.12 0.05 0.00 0.02 0.00 0.00 56.10 56.28 2i45 s TRP 42 Cb 0.00 -1.69 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 2i45 s TRP 42 CO 0.00 0.49 0.18 -1.01 0.02 0.00 0.00 176.95 176.63 2i45 s HIS 43 N -1.13 1.71 0.11 -1.98 3.76 0.89 -4.88 115.29 113.77 2i45 s HIS 43 Ca 0.21 -1.43 0.00 0.00 -0.15 0.00 0.00 55.06 53.69 2i45 s HIS 43 Cb -0.12 -0.92 0.00 0.00 1.11 0.00 0.00 32.58 32.65 2i45 s HIS 43 CO 0.12 -0.55 0.00 2.41 -0.85 0.00 0.00 174.74 175.87 2i45 n THR 44 N -0.71 0.17 -4.71 1.30 -1.04 -1.26 -1.27 114.28 106.76 2i45 n THR 44 Ca 0.00 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2i45 n THR 44 Cb 0.64 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 2i45 n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2i45 n HIS 45 N -2.95 -0.61 -0.11 -1.42 1.44 -1.26 -4.02 115.22 106.30 2i45 n HIS 45 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2i45 n HIS 45 Cb 0.00 0.15 0.00 0.00 0.12 0.00 0.00 29.99 30.26 2i45 n HIS 45 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2i45 n SER 48 N -3.06 -0.11 -4.56 4.39 7.64 -1.26 -2.10 113.62 114.57 2i45 n SER 48 Ca 0.00 -0.11 -0.34 0.00 1.01 0.00 0.00 58.87 59.43 2i45 n SER 48 Cb 0.00 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.31 2i45 n SER 48 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2i45 n ASP 49 N -0.48 -0.43 -4.19 6.43 10.43 -1.26 -4.37 116.55 122.68 2i45 n ASP 49 Ca 0.00 0.51 -0.18 0.00 2.57 0.00 0.00 54.79 57.69 2i45 n ASP 49 Cb 0.00 -1.35 -0.12 0.00 1.84 0.00 0.00 41.12 41.50 2i45 n ASP 49 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2i45 s LYS 50 N -3.63 0.86 -0.22 -1.24 1.02 -0.68 -4.58 119.74 111.27 2i45 s LYS 50 Ca 0.67 -1.03 -0.05 0.00 0.02 0.00 0.00 55.97 55.58 2i45 s LYS 50 Cb -0.28 -0.82 -0.01 0.00 -0.52 0.00 0.00 37.83 36.19 2i45 s LYS 50 CO 0.57 0.17 -0.02 0.08 -0.92 0.00 0.00 175.35 175.24 2i45 s VAL 51 N -1.55 3.61 -0.14 3.17 1.01 -0.68 -1.44 120.40 124.38 2i45 s VAL 51 Ca 0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2i45 s VAL 51 Cb -0.08 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2i45 s VAL 51 CO 0.02 0.41 -0.06 -0.76 0.00 0.00 0.00 175.10 174.71 2i45 s LEU 52 N 1.43 3.15 -0.11 3.92 1.43 0.83 -0.76 118.68 128.58 2i45 s LEU 52 Ca 0.05 -0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2i45 s LEU 52 Cb -0.14 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.36 2i45 s LEU 52 CO -0.01 0.20 -0.08 0.12 0.23 0.00 0.00 176.35 176.80 2i45 s PHE 53 N 0.19 1.50 -0.86 0.29 5.36 0.23 -1.31 117.98 123.38 2i45 s PHE 53 Ca -0.03 -0.75 -0.20 0.00 -0.96 0.00 0.00 56.93 54.99 2i45 s PHE 53 Cb -0.14 -1.24 0.11 0.00 -0.34 0.00 0.00 43.02 41.41 2i45 s PHE 53 CO 0.03 -0.52 1.10 0.00 -1.46 0.00 0.00 175.22 174.38 2i45 s ALA 54 N 1.68 3.25 0.14 11.12 0.00 -0.92 -1.91 121.76 135.13 2i45 s ALA 54 Ca 0.05 -2.48 -0.12 0.00 0.00 0.00 0.00 51.96 49.41 2i45 s ALA 54 Cb -0.13 -4.03 -0.03 0.00 0.00 0.00 0.00 23.12 18.93 2i45 s ALA 54 CO -0.08 -2.97 1.50 0.28 0.00 0.00 0.00 175.76 174.49 2i45 h VAL 55 N 5.95 1.28 0.00 0.00 2.07 -1.10 -2.25 116.25 122.19 2i45 h VAL 55 Ca 0.04 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.12 2i45 h VAL 55 Cb 1.04 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2i45 h VAL 55 CO 1.15 0.49 -0.77 1.21 0.02 0.00 0.00 177.57 179.67 2i45 n GLU 56 N -4.14 0.00 0.00 1.57 2.13 -1.08 -4.55 120.64 114.57 2i45 n GLU 56 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2i45 n GLU 56 Cb 0.49 -0.45 0.00 0.00 0.27 0.00 0.00 31.44 31.75 2i45 n GLU 56 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2i45 n GLY 57 N 2.70 1.95 3.05 8.31 0.00 -1.24 -4.76 105.19 115.19 2i45 n GLY 57 Ca 0.00 -1.82 -0.19 0.00 0.00 0.00 0.00 46.02 44.00 2i45 n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i45 n ASP 58 N 0.00 2.21 -3.77 1.61 8.00 -1.26 -2.73 116.55 120.62 2i45 n ASP 58 Ca 0.00 -2.43 -0.12 0.00 0.71 0.00 0.00 54.79 52.95 2i45 n ASP 58 Cb 0.00 -0.11 -0.08 0.00 -0.02 0.00 0.00 41.12 40.91 2i45 n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i45 s ALA 60 N -2.61 -0.65 -0.29 2.24 0.00 -0.15 -4.30 121.76 116.00 2i45 s ALA 60 Ca 0.31 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.33 2i45 s ALA 60 Cb -0.02 0.26 0.07 0.00 0.00 0.00 0.00 23.12 23.42 2i45 s ALA 60 CO 0.20 -0.37 -0.05 0.08 0.00 0.00 0.00 175.76 175.62 2i45 s VAL 61 N -2.25 2.29 0.38 0.00 1.01 -1.26 -1.00 120.40 119.57 2i45 s VAL 61 Ca -0.07 -1.82 -0.27 0.00 0.00 0.00 0.00 61.98 59.82 2i45 s VAL 61 Cb -0.02 -2.45 -0.10 0.00 0.00 0.00 0.00 36.38 33.82 2i45 s VAL 61 CO -0.02 -0.20 1.35 -1.81 0.00 0.00 0.00 175.10 174.42 2i45 s ASP 62 N 1.08 6.42 0.12 3.32 1.01 -0.88 -4.47 116.67 123.27 2i45 s ASP 62 Ca -0.03 2.76 0.05 0.00 0.71 0.00 0.00 52.55 56.04 2i45 s ASP 62 Cb -0.20 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.04 2i45 s ASP 62 CO -0.05 -0.79 0.04 -0.36 0.21 0.00 0.00 175.17 174.22 2i45 s PHE 63 N -1.20 3.02 0.19 4.23 0.08 0.01 -0.35 117.98 123.97 2i45 s PHE 63 Ca 0.54 -0.03 -0.12 0.00 0.12 0.00 0.00 56.93 57.43 2i45 s PHE 63 Cb -0.40 -1.51 0.21 0.00 -0.57 0.00 0.00 43.02 40.75 2i45 s PHE 63 CO 0.53 0.50 1.71 0.00 -0.10 0.00 0.00 175.22 177.87 2i45 h ALA 64 N 3.04 0.58 0.00 5.36 0.00 -1.87 0.21 119.26 126.58 2i45 h ALA 64 Ca -0.47 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2i45 h ALA 64 Cb 1.18 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2i45 h ALA 64 CO 0.61 -0.31 0.00 -0.40 0.00 0.00 0.00 179.25 179.15 2i45 n ASP 65 N -5.12 2.77 0.00 0.00 5.68 -1.26 -4.76 116.55 113.85 2i45 n ASP 65 Ca 0.06 -1.81 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 2i45 n ASP 65 Cb 0.26 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 2i45 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2i45 n GLY 66 N 0.58 2.77 3.68 6.12 0.00 0.06 -5.02 105.19 113.39 2i45 n GLY 66 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2i45 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i45 n GLY 67 N -2.00 -0.16 1.31 -0.02 0.00 -1.25 -4.77 105.19 98.31 2i45 n GLY 67 Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 2i45 n GLY 67 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2i45 n SER 68 N -3.68 -0.58 -3.67 1.61 2.88 -1.26 -0.81 113.62 108.11 2i45 n SER 68 Ca 0.13 -1.71 -0.09 0.00 -1.33 0.00 0.00 58.87 55.87 2i45 n SER 68 Cb 0.51 1.05 -0.09 0.00 -0.75 0.00 0.00 64.21 64.93 2i45 n SER 68 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2i45 s THR 70 N -2.59 -0.01 -0.47 2.46 2.01 -1.26 -4.98 115.64 110.79 2i45 s THR 70 Ca 0.10 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.19 2i45 s THR 70 Cb -0.01 -0.79 0.12 0.00 0.01 0.00 0.00 72.50 71.84 2i45 s THR 70 CO 0.07 0.02 0.21 -0.63 -0.69 0.00 0.00 174.62 173.60 2i45 s ILE 71 N 1.46 2.49 0.73 1.82 1.01 -1.26 -5.00 121.20 122.45 2i45 s ILE 71 Ca -0.09 -3.07 -0.10 0.00 0.00 0.00 0.00 60.65 57.39 2i45 s ILE 71 Cb -0.07 -2.75 0.05 0.00 0.01 0.00 0.00 42.46 39.70 2i45 s ILE 71 CO -0.15 -0.75 1.08 -0.13 0.00 0.00 0.00 174.94 174.98 2i45 s ARG 72 N 0.01 2.35 0.26 2.79 0.52 -1.26 -4.48 118.95 119.14 2i45 s ARG 72 Ca 0.16 0.07 -0.30 0.00 -0.52 0.00 0.00 55.73 55.14 2i45 s ARG 72 Cb -0.24 -2.07 -0.13 0.00 0.52 0.00 0.00 34.95 33.03 2i45 s ARG 72 CO -0.02 -1.26 1.34 -1.91 0.02 0.00 0.00 175.30 173.47 2i45 n GLU 73 N -3.04 1.97 -1.04 3.54 2.13 -1.11 -1.98 120.64 121.11 2i45 n GLU 73 Ca 0.07 0.70 -0.01 0.00 0.66 0.00 0.00 57.16 58.58 2i45 n GLU 73 Cb 0.60 -2.31 -0.01 0.00 0.27 0.00 0.00 31.44 29.99 2i45 n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2i45 n GLY 74 N 1.75 0.50 0.00 8.31 0.00 -0.85 -5.04 105.19 109.86 2i45 n GLY 74 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2i45 n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2i45 n GLU 75 N -2.86 2.43 0.00 1.61 1.02 -0.84 -4.99 120.64 117.01 2i45 n GLU 75 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2i45 n GLU 75 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 2i45 n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i45 n ALA 77 N -3.00 0.00 -3.08 0.62 0.00 -0.43 -2.17 120.51 112.46 2i45 n ALA 77 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2i45 n ALA 77 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 2i45 n ALA 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2i45 s VAL 78 N -2.00 2.13 -0.41 0.00 -7.23 -1.26 -0.12 120.40 111.51 2i45 s VAL 78 Ca 0.00 -1.01 -0.14 0.00 -1.81 0.00 0.00 61.98 59.02 2i45 s VAL 78 Cb 0.00 -1.80 0.03 0.00 0.56 0.00 0.00 36.38 35.17 2i45 s VAL 78 CO 0.00 0.56 0.29 -0.69 -0.31 0.00 0.00 175.10 174.95 2i45 s VAL 79 N 0.20 5.07 0.77 1.32 1.01 -0.52 -4.94 120.40 123.31 2i45 s VAL 79 Ca -0.14 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 60.91 2i45 s VAL 79 Cb -0.17 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.36 2i45 s VAL 79 CO 0.07 -0.33 0.77 -0.81 0.00 0.00 0.00 175.10 174.80 2i45 n PRO 80 N 5.12 0.26 -1.67 2.72 -0.04 -1.26 -1.68 135.00 138.45 2i45 n PRO 80 Ca -0.11 0.14 -0.44 0.00 -0.04 0.00 0.00 63.50 63.05 2i45 n PRO 80 Cb 0.46 -2.06 -0.02 0.00 -0.04 0.00 0.00 33.50 31.84 2i45 n PRO 80 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2i45 n LYS 81 N -1.67 1.98 -0.43 0.54 4.81 -1.26 -4.00 118.16 118.13 2i45 n LYS 81 Ca 0.11 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 2i45 n LYS 81 Cb 0.50 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.23 2i45 n LYS 81 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2i45 n SER 82 N 1.82 0.00 -4.58 3.14 7.64 -0.89 -4.96 113.62 115.78 2i45 n SER 82 Ca 0.10 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.58 2i45 n SER 82 Cb 0.32 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.44 2i45 n SER 82 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2i45 s VAL 83 N -2.94 5.09 0.23 0.44 1.01 -1.26 -4.98 120.40 117.99 2i45 s VAL 83 Ca 0.00 0.49 -0.32 0.00 0.00 0.00 0.00 61.98 62.16 2i45 s VAL 83 Cb 0.00 -3.84 -0.14 0.00 0.00 0.00 0.00 36.38 32.40 2i45 s VAL 83 CO 0.00 -0.03 1.37 -0.24 0.00 0.00 0.00 175.10 176.20 2i45 n SER 84 N 5.55 2.52 -3.70 3.32 2.88 -1.25 -4.61 113.62 118.33 2i45 n SER 84 Ca -0.06 1.14 -0.09 0.00 -1.33 0.00 0.00 58.87 58.53 2i45 n SER 84 Cb 0.50 -1.39 -0.03 0.00 -0.75 0.00 0.00 64.21 62.54 2i45 n SER 84 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2i45 s HIS 85 N -0.06 0.16 -0.32 0.66 -3.43 -0.40 -3.51 115.29 108.40 2i45 s HIS 85 Ca 0.69 -0.60 -0.02 0.00 -0.80 0.00 0.00 55.06 54.33 2i45 s HIS 85 Cb -0.68 0.49 0.12 0.00 -1.43 0.00 0.00 32.58 31.08 2i45 s HIS 85 CO 0.50 -1.20 0.20 0.50 -2.00 0.00 0.00 174.74 172.74 2i45 s ARG 86 N -3.61 0.36 0.34 -0.38 3.00 0.53 -0.07 118.95 119.11 2i45 s ARG 86 Ca 0.17 -0.74 -0.26 0.00 -1.00 0.00 0.00 55.73 53.90 2i45 s ARG 86 Cb -0.04 -1.08 -0.10 0.00 0.00 0.00 0.00 34.95 33.74 2i45 s ARG 86 CO 0.10 -1.10 0.99 -1.25 0.00 0.00 0.00 175.30 174.04 2i45 s PRO 87 N 1.77 4.48 0.16 5.12 0.04 -1.26 -2.08 135.00 143.22 2i45 s PRO 87 Ca 0.13 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 2i45 s PRO 87 Cb -0.18 -2.76 0.03 0.00 0.04 0.00 0.00 34.50 31.63 2i45 s PRO 87 CO -0.22 0.16 0.47 -0.98 0.04 0.00 0.00 177.00 176.47 2i45 s ARG 88 N -2.12 1.22 -0.13 4.56 1.70 -0.17 -4.30 118.95 119.71 2i45 s ARG 88 Ca 0.52 -0.76 -0.05 0.00 -0.47 0.00 0.00 55.73 54.97 2i45 s ARG 88 Cb -0.21 0.50 0.07 0.00 -0.57 0.00 0.00 34.95 34.74 2i45 s ARG 88 CO 0.26 -0.50 0.26 0.45 -1.08 0.00 0.00 175.30 174.69 2i45 s SER 89 N -2.83 0.42 0.28 -2.89 0.15 -0.39 -0.98 113.70 107.46 2i45 s SER 89 Ca 0.06 0.54 -0.01 0.00 0.70 0.00 0.00 55.95 57.24 2i45 s SER 89 Cb 0.00 0.68 0.39 0.00 -1.71 0.00 0.00 66.02 65.39 2i45 s SER 89 CO -0.08 -0.25 1.80 -0.08 1.20 0.00 0.00 173.24 175.83 2i45 h GLU 90 N 8.29 0.76 0.00 5.44 4.57 -1.82 -2.06 114.58 129.77 2i45 h GLU 90 Ca -0.14 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 2i45 h GLU 90 Cb 1.12 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 2i45 h GLU 90 CO 0.14 0.75 -0.01 0.09 -1.18 0.00 0.00 179.01 178.80 2i45 n ASN 91 N -4.24 0.67 0.00 1.04 3.02 -1.26 -4.79 115.26 109.70 2i45 n ASN 91 Ca 0.03 -1.35 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 2i45 n ASN 91 Cb 0.27 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 2i45 n ASN 91 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2i45 n GLY 92 N -0.17 1.95 2.91 7.41 0.00 -1.25 -5.03 105.19 111.01 2i45 n GLY 92 Ca 0.00 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 2i45 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i45 s SER 94 N 0.42 6.49 -0.07 0.00 0.01 -1.26 -1.01 113.70 118.28 2i45 s SER 94 Ca -0.03 0.59 0.04 0.00 1.31 0.00 0.00 55.95 57.86 2i45 s SER 94 Cb -0.05 -2.27 -0.00 0.00 0.21 0.00 0.00 66.02 63.91 2i45 s SER 94 CO -0.02 -0.19 -0.21 -0.22 0.41 0.00 0.00 173.24 173.02 2i45 s LEU 95 N 1.76 1.97 -0.13 2.44 2.96 0.79 -0.48 118.68 127.99 2i45 s LEU 95 Ca 0.22 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.63 2i45 s LEU 95 Cb -0.15 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 2i45 s LEU 95 CO 0.09 0.16 0.03 -0.69 -1.32 0.00 0.00 176.35 174.63 2i45 s VAL 96 N 0.16 4.55 -0.13 1.68 1.01 -0.80 -1.76 120.40 125.11 2i45 s VAL 96 Ca -0.10 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2i45 s VAL 96 Cb -0.15 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2i45 s VAL 96 CO 0.05 0.54 -0.14 -0.22 0.00 0.00 0.00 175.10 175.33 2i45 s LEU 97 N -0.28 1.63 -0.19 3.92 0.20 0.94 -0.60 118.68 124.31 2i45 s LEU 97 Ca 0.07 -0.44 -0.06 0.00 0.69 0.00 0.00 54.13 54.39 2i45 s LEU 97 Cb -0.12 -1.10 -0.03 0.00 -0.43 0.00 0.00 46.19 44.50 2i45 s LEU 97 CO 0.02 -0.04 0.03 -0.63 -0.29 0.00 0.00 176.35 175.43 2i45 s ILE 98 N 1.35 4.35 0.40 6.68 1.01 0.06 0.13 121.20 135.19 2i45 s ILE 98 Ca 0.01 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.52 2i45 s ILE 98 Cb -0.13 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 2i45 s ILE 98 CO -0.07 0.45 0.06 -1.61 0.00 0.00 0.00 174.94 173.76 2i45 s GLU 99 N 0.63 1.88 0.00 2.79 2.02 0.58 -1.68 118.70 124.92 2i45 s GLU 99 Ca 0.01 -2.11 0.00 0.00 0.02 0.00 0.00 54.97 52.89 2i45 s GLU 99 Cb -0.14 -1.04 0.00 0.00 0.10 0.00 0.00 34.13 33.06 2i45 s GLU 99 CO 0.02 -0.28 0.00 -0.11 0.02 0.00 0.00 175.26 174.91 2i45 n LEU 100 N -0.90 0.00 0.00 1.80 7.94 -1.26 -1.67 117.00 122.91 2i45 n LEU 100 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 2i45 n LEU 100 Cb 0.66 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.61 2i45 n LEU 100 CO 0.41 0.00 0.00 -0.24 -1.11 0.00 0.00 177.39 176.45