#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 2.06 -0.17 2.62 -4.23 -1.26 -5.07 115.64 109.58 2i45 s THR 5 Ca 0.00 -0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.38 2i45 s THR 5 Cb 0.00 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 70.94 2i45 s THR 5 CO 0.00 0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.31 2i45 s ILE 6 N -3.63 1.72 -0.43 2.99 1.01 -1.26 -5.09 121.20 116.51 2i45 s ILE 6 Ca 0.69 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 2i45 s ILE 6 Cb -0.06 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.78 2i45 s ILE 6 CO 0.50 0.38 0.69 0.21 0.00 0.00 0.00 174.94 176.72 2i45 s ASN 7 N 1.40 6.36 0.14 3.58 3.84 -1.26 -4.90 114.94 124.11 2i45 s ASN 7 Ca 0.03 -0.21 -0.18 0.00 0.21 0.00 0.00 52.86 52.72 2i45 s ASN 7 Cb -0.14 -2.34 -0.02 0.00 -0.55 0.00 0.00 41.25 38.20 2i45 s ASN 7 CO -0.10 -0.80 1.79 -0.07 -2.79 0.00 0.00 177.10 175.13 2i45 h LEU 8 N 9.79 0.37 -0.60 3.21 4.07 -1.99 -0.04 115.31 130.13 2i45 h LEU 8 Ca -0.25 -0.02 -0.06 0.00 0.08 0.00 0.00 57.88 57.63 2i45 h LEU 8 Cb 1.09 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 2i45 h LEU 8 CO 0.91 0.28 0.15 0.11 -1.08 0.00 0.00 178.44 178.81 2i45 h LYS 9 N 0.43 0.97 -0.14 1.13 1.57 -1.99 -1.30 116.57 117.24 2i45 h LYS 9 Ca 0.12 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2i45 h LYS 9 Cb -0.04 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 2i45 h LYS 9 CO -0.02 0.88 -0.02 0.37 -0.57 0.00 0.00 179.45 180.09 2i45 h GLN 10 N 0.88 0.27 -0.56 3.15 4.15 -1.90 -1.34 115.11 119.76 2i45 h GLN 10 Ca 0.19 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 2i45 h GLN 10 Cb 0.35 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 2i45 h GLN 10 CO 0.00 0.53 0.33 0.45 -1.93 0.00 0.00 178.83 178.22 2i45 h HIS 11 N -0.02 0.73 0.00 3.99 3.86 -0.88 -2.94 115.15 119.89 2i45 h HIS 11 Ca 0.04 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.12 2i45 h HIS 11 Cb 0.43 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 2i45 h HIS 11 CO 0.05 0.49 -0.64 -0.07 0.86 0.00 0.00 177.93 178.61 2i45 h LEU 12 N 0.77 0.00 -0.57 2.43 -0.00 -0.93 -3.07 115.31 113.93 2i45 h LEU 12 Ca 0.20 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.93 2i45 h LEU 12 Cb -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 2i45 h LEU 12 CO -0.04 0.64 -0.49 0.00 -0.00 0.00 0.00 178.44 178.55 2i45 h ALA 13 N 1.36 0.75 -0.10 1.53 0.00 -1.08 -2.24 119.26 119.48 2i45 h ALA 13 Ca -0.01 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.45 2i45 h ALA 13 Cb 1.49 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 2i45 h ALA 13 CO 0.08 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.19 2i45 h ALA 14 N 1.01 1.53 -2.44 0.00 0.00 -1.43 -3.42 119.26 114.50 2i45 h ALA 14 Ca 0.02 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.29 2i45 h ALA 14 Cb 1.02 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.68 2i45 h ALA 14 CO 0.09 -0.24 0.02 0.42 0.00 0.00 0.00 179.25 179.55 2i45 s ILE 15 N -4.41 4.99 -1.48 0.00 1.01 -0.84 -4.93 121.20 115.54 2i45 s ILE 15 Ca -0.04 0.58 0.12 0.00 0.00 0.00 0.00 60.65 61.31 2i45 s ILE 15 Cb 0.13 -3.96 0.13 0.00 0.01 0.00 0.00 42.46 38.77 2i45 s ILE 15 CO 0.46 -0.16 0.95 0.29 0.00 0.00 0.00 174.94 176.48 2i45 n LYS 16 N 5.78 1.03 -4.38 2.79 4.01 -1.26 -4.98 118.16 121.16 2i45 n LYS 16 Ca -0.03 -1.37 -0.22 0.00 -0.51 0.00 0.00 58.31 56.18 2i45 n LYS 16 Cb 0.49 -1.25 -0.11 0.00 -0.51 0.00 0.00 35.03 33.66 2i45 n LYS 16 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2i45 s GLU 17 N -1.03 1.41 -0.14 1.97 0.41 -1.26 -5.11 118.70 114.95 2i45 s GLU 17 Ca 0.16 -1.55 -0.02 0.00 -0.41 0.00 0.00 54.97 53.15 2i45 s GLU 17 Cb 0.11 -1.44 -0.24 0.00 -1.78 0.00 0.00 34.13 30.78 2i45 s GLU 17 CO 0.16 0.28 0.27 0.66 -0.49 0.00 0.00 175.26 176.13 2i45 n TYR 18 N -0.08 0.94 -1.64 1.61 4.02 -1.26 -4.42 117.16 116.32 2i45 n TYR 18 Ca -0.10 0.21 -0.28 0.00 -0.01 0.00 0.00 57.90 57.72 2i45 n TYR 18 Cb 0.58 -1.13 0.06 0.00 -0.02 0.00 0.00 39.34 38.84 2i45 n TYR 18 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2i45 n TRP 19 N -3.37 2.89 -3.89 -0.72 8.01 -1.26 -4.08 117.44 115.03 2i45 n TRP 19 Ca -0.33 -2.57 -0.33 0.00 -1.31 0.00 0.00 57.50 52.97 2i45 n TRP 19 Cb 1.04 -0.89 -0.13 0.00 -2.01 0.00 0.00 31.31 29.32 2i45 n TRP 19 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 2i45 s GLN 20 N -3.68 2.01 0.44 -0.99 1.11 -1.26 -5.05 119.66 112.23 2i45 s GLN 20 Ca 0.57 -2.32 -0.24 0.00 0.01 0.00 0.00 55.36 53.38 2i45 s GLN 20 Cb 0.46 -3.43 -0.08 0.00 -1.01 0.00 0.00 33.01 28.95 2i45 s GLN 20 CO 0.01 -1.08 1.19 -1.25 0.01 0.00 0.00 175.29 174.17 2i45 s PRO 21 N 0.23 3.86 -0.32 2.91 0.04 -1.26 -4.76 135.00 135.70 2i45 s PRO 21 Ca 0.14 1.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.90 2i45 s PRO 21 Cb -0.23 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 2i45 s PRO 21 CO -0.03 -0.48 0.28 -2.00 0.04 0.00 0.00 177.00 174.80 2i45 s GLU 22 N -2.52 3.67 -0.17 4.56 2.12 0.12 -4.92 118.70 121.56 2i45 s GLU 22 Ca 0.61 -0.44 -0.12 0.00 0.36 0.00 0.00 54.97 55.38 2i45 s GLU 22 Cb -0.31 -3.76 -0.05 0.00 0.26 0.00 0.00 34.13 30.28 2i45 s GLU 22 CO 0.38 -0.39 0.21 0.42 -0.54 0.00 0.00 175.26 175.34 2i45 s ILE 23 N 1.85 5.36 0.02 -3.70 1.09 -1.26 -1.23 121.20 123.32 2i45 s ILE 23 Ca 0.09 0.37 0.06 0.00 -1.10 0.00 0.00 60.65 60.07 2i45 s ILE 23 Cb -0.17 -3.55 -0.02 0.00 -1.06 0.00 0.00 42.46 37.67 2i45 s ILE 23 CO 0.11 0.43 -0.17 -0.63 -0.10 0.00 0.00 174.94 174.57 2i45 s ILE 24 N 0.33 1.37 0.13 2.92 1.01 -0.36 -4.99 121.20 121.60 2i45 s ILE 24 Ca 0.13 -0.94 0.11 0.00 0.00 0.00 0.00 60.65 59.94 2i45 s ILE 24 Cb -0.12 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 2i45 s ILE 24 CO 0.01 0.22 -0.25 0.20 0.00 0.00 0.00 174.94 175.12 2i45 s ASN 25 N -0.84 3.46 -0.29 3.58 -0.87 -1.26 -1.45 114.94 117.27 2i45 s ASN 25 Ca 0.05 -0.71 0.03 0.00 -1.57 0.00 0.00 52.86 50.67 2i45 s ASN 25 Cb -0.08 -0.30 0.17 0.00 -0.02 0.00 0.00 41.25 41.03 2i45 s ASN 25 CO 0.01 0.18 0.47 -0.13 -2.57 0.00 0.00 177.10 175.06 2i45 s ARG 26 N -2.09 0.46 5.18 -0.60 1.81 -0.78 -5.03 118.95 117.90 2i45 s ARG 26 Ca 0.15 0.34 0.00 0.00 -1.72 0.00 0.00 55.73 54.50 2i45 s ARG 26 Cb -0.10 -0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.30 2i45 s ARG 26 CO 0.07 -0.98 0.00 0.72 -0.68 0.00 0.00 175.30 174.43 2i45 n HIS 27 N 5.38 0.00 0.48 -0.53 8.25 -1.26 -2.05 115.22 125.49 2i45 n HIS 27 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2i45 n HIS 27 Cb 0.51 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.67 2i45 n HIS 27 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2i45 n GLY 28 N 0.00 0.89 2.96 -1.41 0.00 -1.26 -4.77 105.19 101.59 2i45 n GLY 28 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2i45 n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i45 s PHE 29 N 0.06 0.68 -0.09 1.61 0.08 -0.87 -0.91 117.98 118.53 2i45 s PHE 29 Ca 0.00 -0.15 0.01 0.00 0.12 0.00 0.00 56.93 56.91 2i45 s PHE 29 Cb 0.00 -0.49 -0.02 0.00 -0.57 0.00 0.00 43.02 41.93 2i45 s PHE 29 CO 0.00 -0.07 -0.11 -1.14 -0.10 0.00 0.00 175.22 173.80 2i45 s GLN 30 N 0.18 2.98 -0.10 0.44 0.74 0.76 -1.87 119.66 122.78 2i45 s GLN 30 Ca -0.02 -0.64 0.02 0.00 0.05 0.00 0.00 55.36 54.77 2i45 s GLN 30 Cb -0.07 -2.57 -0.01 0.00 1.10 0.00 0.00 33.01 31.46 2i45 s GLN 30 CO -0.00 0.46 -0.17 -0.06 -0.55 0.00 0.00 175.29 174.96 2i45 s PHE 31 N -0.27 2.68 -0.15 1.67 0.08 -0.53 0.19 117.98 121.66 2i45 s PHE 31 Ca 0.03 -0.63 0.01 0.00 0.12 0.00 0.00 56.93 56.46 2i45 s PHE 31 Cb -0.13 -1.74 0.00 0.00 -0.57 0.00 0.00 43.02 40.59 2i45 s PHE 31 CO 0.03 -0.17 -0.17 -1.01 -0.10 0.00 0.00 175.22 173.80 2i45 s HIS 32 N 0.05 2.75 -0.07 0.36 3.76 -0.41 -1.23 115.29 120.50 2i45 s HIS 32 Ca -0.07 -1.11 0.01 0.00 -0.15 0.00 0.00 55.06 53.74 2i45 s HIS 32 Cb -0.15 -1.87 -0.03 0.00 1.11 0.00 0.00 32.58 31.64 2i45 s HIS 32 CO 0.05 -0.50 -0.06 -0.51 -0.85 0.00 0.00 174.74 172.86 2i45 s LEU 33 N 0.80 3.19 -0.13 0.89 1.02 -0.37 -0.29 118.68 123.80 2i45 s LEU 33 Ca -0.06 -0.02 -0.17 0.00 0.02 0.00 0.00 54.13 53.91 2i45 s LEU 33 Cb -0.15 -1.70 0.04 0.00 0.02 0.00 0.00 46.19 44.40 2i45 s LEU 33 CO -0.00 0.36 0.44 0.68 0.02 0.00 0.00 176.35 177.85 2i45 s VAL 34 N -0.77 0.01 -0.15 -1.59 -7.23 -0.60 -0.71 120.40 109.36 2i45 s VAL 34 Ca 0.12 -0.10 -0.08 0.00 -1.81 0.00 0.00 61.98 60.11 2i45 s VAL 34 Cb -0.11 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 2i45 s VAL 34 CO 0.02 -0.06 0.13 -0.54 -0.31 0.00 0.00 175.10 174.34 2i45 s LYS 35 N -0.23 3.70 0.03 4.82 1.02 -1.26 -0.51 119.74 127.31 2i45 s LYS 35 Ca -0.04 -0.18 0.07 0.00 0.02 0.00 0.00 55.97 55.84 2i45 s LYS 35 Cb -0.03 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 2i45 s LYS 35 CO 0.02 0.59 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.34 2i45 s LEU 36 N -0.49 2.54 0.00 3.17 1.02 0.65 -4.33 118.68 121.24 2i45 s LEU 36 Ca 0.12 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.85 2i45 s LEU 36 Cb -0.12 -1.49 0.00 0.00 0.02 0.00 0.00 46.19 44.61 2i45 s LEU 36 CO 0.02 0.27 0.00 -0.11 0.02 0.00 0.00 176.35 176.55 2i45 n LEU 37 N 1.70 0.00 0.00 1.79 7.94 -1.26 -0.04 117.00 127.12 2i45 n LEU 37 Ca -0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 2i45 n LEU 37 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 2i45 n LEU 37 CO 0.26 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.15 2i45 n GLY 38 N 2.39 1.07 3.34 -3.96 0.00 -1.26 -2.76 105.19 104.02 2i45 n GLY 38 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.00 0.53 -0.21 1.61 1.47 -1.26 -1.79 116.67 116.01 2i45 s ASP 39 Ca 0.00 -1.39 0.14 0.00 1.18 0.00 0.00 52.55 52.48 2i45 s ASP 39 Cb 0.00 0.50 0.45 0.00 -0.34 0.00 0.00 42.92 43.53 2i45 s ASP 39 CO 0.00 -1.02 1.19 -1.22 0.68 0.00 0.00 175.17 174.80 2i45 n TYR 40 N -0.41 1.07 -3.55 2.11 4.02 -1.26 -5.11 117.16 114.03 2i45 n TYR 40 Ca 0.02 -1.67 0.00 0.00 -0.01 0.00 0.00 57.90 56.25 2i45 n TYR 40 Cb 0.64 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 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 -0.66 -0.41 3.38 2.72 0.00 -1.26 -4.85 105.19 104.11 2i45 n GLY 41 Ca 0.24 -1.20 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 2.91 0.55 1.61 0.52 -1.26 -4.38 118.94 118.88 2i45 s TRP 42 Ca 0.00 -0.68 0.04 0.00 0.02 0.00 0.00 56.10 55.48 2i45 s TRP 42 Cb 0.00 -1.96 0.04 0.00 -1.15 0.00 0.00 33.47 30.40 2i45 s TRP 42 CO 0.00 -0.29 0.33 -1.01 0.02 0.00 0.00 176.95 176.00 2i45 s HIS 43 N 0.73 1.57 -0.30 -1.98 3.76 -0.11 -4.90 115.29 114.06 2i45 s HIS 43 Ca -0.04 -0.90 0.02 0.00 -0.15 0.00 0.00 55.06 54.00 2i45 s HIS 43 Cb -0.15 -1.84 0.03 0.00 1.11 0.00 0.00 32.58 31.73 2i45 s HIS 43 CO 0.02 -0.38 0.65 0.25 -0.85 0.00 0.00 174.74 174.42 2i45 n THR 44 N -1.70 0.14 0.00 1.30 -2.24 -1.26 -3.00 114.28 107.51 2i45 n THR 44 Ca -0.06 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2i45 n THR 44 Cb 0.65 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 2i45 n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i45 n HIS 45 N 0.08 -0.73 -3.07 4.78 1.44 -1.26 -4.45 115.22 112.02 2i45 n HIS 45 Ca 0.02 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.28 2i45 n HIS 45 Cb 0.09 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.16 2i45 n HIS 45 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2i45 s ASP 49 N -2.19 6.19 0.09 4.39 2.15 -1.26 -4.10 116.67 121.94 2i45 s ASP 49 Ca 0.00 -1.29 0.04 0.00 0.43 0.00 0.00 52.55 51.73 2i45 s ASP 49 Cb 0.00 -2.32 -0.03 0.00 -0.30 0.00 0.00 42.92 40.26 2i45 s ASP 49 CO 0.00 -1.15 -0.10 -1.59 -0.17 0.00 0.00 175.17 172.16 2i45 s LYS 50 N 2.92 0.82 -0.05 4.34 -2.85 -1.21 -4.73 119.74 118.98 2i45 s LYS 50 Ca 0.14 -1.12 -0.10 0.00 -1.00 0.00 0.00 55.97 53.89 2i45 s LYS 50 Cb -0.22 -0.52 -0.05 0.00 -2.06 0.00 0.00 37.83 34.98 2i45 s LYS 50 CO 0.08 0.08 0.26 0.08 0.10 0.00 0.00 175.35 175.95 2i45 s VAL 51 N -2.31 5.29 -0.02 1.79 1.01 -0.94 -1.50 120.40 123.72 2i45 s VAL 51 Ca 0.04 0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.53 2i45 s VAL 51 Cb -0.04 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 2i45 s VAL 51 CO 0.00 0.57 -0.19 -0.76 0.00 0.00 0.00 175.10 174.72 2i45 s LEU 52 N -1.16 2.01 -0.09 3.92 1.02 0.12 -1.17 118.68 123.33 2i45 s LEU 52 Ca 0.20 -0.36 -0.01 0.00 0.02 0.00 0.00 54.13 53.99 2i45 s LEU 52 Cb -0.14 -1.01 0.03 0.00 0.02 0.00 0.00 46.19 45.09 2i45 s LEU 52 CO 0.09 0.22 -0.04 0.12 0.02 0.00 0.00 176.35 176.76 2i45 s PHE 53 N -0.32 1.07 -0.53 0.29 5.36 0.01 -1.40 117.98 122.46 2i45 s PHE 53 Ca 0.04 -0.45 -0.21 0.00 -0.96 0.00 0.00 56.93 55.35 2i45 s PHE 53 Cb -0.09 -1.01 0.05 0.00 -0.34 0.00 0.00 43.02 41.63 2i45 s PHE 53 CO 0.00 -0.42 0.77 0.00 -1.46 0.00 0.00 175.22 174.12 2i45 s ALA 54 N 1.81 3.28 -0.06 11.12 0.00 -0.98 -1.59 121.76 135.34 2i45 s ALA 54 Ca 0.05 -1.52 -0.24 0.00 0.00 0.00 0.00 51.96 50.24 2i45 s ALA 54 Cb -0.12 -3.53 -0.27 0.00 0.00 0.00 0.00 23.12 19.19 2i45 s ALA 54 CO -0.07 -2.19 0.92 0.28 0.00 0.00 0.00 175.76 174.71 2i45 h VAL 55 N 5.93 1.58 -3.75 0.00 2.07 -0.22 0.13 116.25 121.99 2i45 h VAL 55 Ca -0.27 -2.28 -0.30 0.00 0.82 0.00 0.00 66.70 64.67 2i45 h VAL 55 Cb 1.08 3.06 -0.18 0.00 -1.52 0.00 0.00 31.29 33.74 2i45 h VAL 55 CO 1.02 0.63 -0.73 -0.70 0.02 0.00 0.00 177.57 177.81 2i45 s GLU 56 N -2.66 0.82 1.29 1.57 2.12 -1.06 -4.44 118.70 116.34 2i45 s GLU 56 Ca -0.15 -1.15 0.00 0.00 0.36 0.00 0.00 54.97 54.03 2i45 s GLU 56 Cb 0.00 -0.47 0.00 0.00 0.26 0.00 0.00 34.13 33.92 2i45 s GLU 56 CO 0.77 0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.97 2i45 n GLY 57 N 0.55 -0.26 3.48 -1.50 0.00 -1.26 -1.09 105.19 105.11 2i45 n GLY 57 Ca -0.16 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 2i45 n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i45 s ASP 58 N -4.00 2.54 0.16 1.61 1.01 -1.25 -2.25 116.67 114.49 2i45 s ASP 58 Ca 0.00 -1.46 -0.18 0.00 0.71 0.00 0.00 52.55 51.62 2i45 s ASP 58 Cb 0.00 0.08 0.04 0.00 1.01 0.00 0.00 42.92 44.05 2i45 s ASP 58 CO 0.00 -0.70 0.49 0.00 0.21 0.00 0.00 175.17 175.17 2i45 s ALA 60 N -3.26 -1.10 -0.13 5.23 0.00 -0.37 -4.44 121.76 117.69 2i45 s ALA 60 Ca 0.32 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.32 2i45 s ALA 60 Cb 0.07 0.79 0.02 0.00 0.00 0.00 0.00 23.12 24.00 2i45 s ALA 60 CO 0.15 -0.73 -0.14 0.08 0.00 0.00 0.00 175.76 175.12 2i45 s VAL 61 N -3.81 1.46 0.01 0.00 1.01 -1.26 0.03 120.40 117.84 2i45 s VAL 61 Ca 0.04 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 2i45 s VAL 61 Cb 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 2i45 s VAL 61 CO -0.09 0.44 0.37 -1.81 0.00 0.00 0.00 175.10 174.00 2i45 s ASP 62 N 1.30 6.70 0.11 3.32 1.01 -0.72 -4.34 116.67 124.04 2i45 s ASP 62 Ca 0.00 0.83 0.02 0.00 0.71 0.00 0.00 52.55 54.11 2i45 s ASP 62 Cb -0.14 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 2i45 s ASP 62 CO -0.07 0.29 0.20 -0.36 0.21 0.00 0.00 175.17 175.44 2i45 s PHE 63 N -1.18 3.40 0.31 4.23 0.08 0.69 -1.50 117.98 124.01 2i45 s PHE 63 Ca 0.26 0.14 0.07 0.00 0.12 0.00 0.00 56.93 57.52 2i45 s PHE 63 Cb -0.15 -1.67 0.81 0.00 -0.57 0.00 0.00 43.02 41.43 2i45 s PHE 63 CO 0.14 0.55 1.75 0.00 -0.10 0.00 0.00 175.22 177.55 2i45 h ALA 64 N 2.73 1.70 0.00 5.36 0.00 -1.81 -2.25 119.26 124.99 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 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2i45 h ALA 64 CO 0.70 -0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.37 2i45 n ASP 65 N -4.85 0.00 0.00 0.00 5.75 -1.26 -4.78 116.55 111.40 2i45 n ASP 65 Ca 0.25 -0.68 0.00 0.00 -0.01 0.00 0.00 54.79 54.35 2i45 n ASP 65 Cb 0.66 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 2i45 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2i45 n GLY 66 N 0.11 2.28 3.76 6.12 0.00 -0.85 -5.07 105.19 111.55 2i45 n GLY 66 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2i45 n GLY 66 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i45 s GLY 67 N -2.25 2.68 0.14 -0.02 0.00 -1.25 -4.74 107.32 101.87 2i45 s GLY 67 Ca 0.00 0.94 0.02 0.00 0.00 0.00 0.00 44.72 45.68 2i45 s GLY 67 CO 0.00 1.32 0.14 -1.26 0.00 0.00 0.00 173.10 173.29 2i45 n SER 68 N -1.57 -0.37 -3.62 1.64 2.88 -1.26 0.25 113.62 111.56 2i45 n SER 68 Ca 0.13 -1.85 -0.04 0.00 -1.33 0.00 0.00 58.87 55.78 2i45 n SER 68 Cb 0.50 0.78 -0.06 0.00 -0.75 0.00 0.00 64.21 64.68 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 -2.56 -0.17 -0.31 2.46 2.01 -1.26 -4.99 115.64 110.82 2i45 s THR 70 Ca 0.15 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.18 2i45 s THR 70 Cb 0.00 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.60 2i45 s THR 70 CO 0.11 0.00 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.40 2i45 s ILE 71 N 1.76 2.18 0.67 1.82 1.01 -1.26 -5.01 121.20 122.37 2i45 s ILE 71 Ca -0.09 -2.04 -0.06 0.00 0.00 0.00 0.00 60.65 58.46 2i45 s ILE 71 Cb -0.05 -2.49 0.05 0.00 0.01 0.00 0.00 42.46 39.97 2i45 s ILE 71 CO -0.18 -0.39 0.98 -0.13 0.00 0.00 0.00 174.94 175.22 2i45 s ARG 72 N 1.01 2.40 0.13 2.79 1.81 -1.26 -4.59 118.95 121.23 2i45 s ARG 72 Ca 0.04 -0.20 -0.35 0.00 -1.72 0.00 0.00 55.73 53.49 2i45 s ARG 72 Cb -0.19 -2.21 -0.16 0.00 -0.45 0.00 0.00 34.95 31.94 2i45 s ARG 72 CO -0.07 -1.08 1.32 -1.91 -0.68 0.00 0.00 175.30 172.88 2i45 n GLU 73 N -2.81 1.31 -0.73 3.54 2.13 -0.95 -1.17 120.64 121.96 2i45 n GLU 73 Ca 0.07 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.36 2i45 n GLU 73 Cb 0.60 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.22 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 2.46 0.66 0.00 8.31 0.00 0.45 -5.02 105.19 112.05 2i45 n GLY 74 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.64 3.28 0.00 1.61 1.02 -0.31 -4.95 120.64 118.64 2i45 n GLU 75 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2i45 n GLU 75 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 -2.88 0.62 0.00 -0.49 -2.31 120.51 112.45 2i45 n ALA 77 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2i45 n ALA 77 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2i45 n ALA 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i45 s VAL 78 N -2.00 3.89 -0.55 0.00 0.11 -1.26 0.15 120.40 120.74 2i45 s VAL 78 Ca 0.00 -0.37 -0.23 0.00 -2.93 0.00 0.00 61.98 58.45 2i45 s VAL 78 Cb 0.00 -2.68 0.05 0.00 -1.53 0.00 0.00 36.38 32.22 2i45 s VAL 78 CO 0.00 0.52 0.86 -0.69 -3.33 0.00 0.00 175.10 172.46 2i45 s VAL 79 N 0.09 4.51 -0.29 2.04 1.01 -0.56 -5.01 120.40 122.19 2i45 s VAL 79 Ca -0.01 0.01 -0.36 0.00 0.00 0.00 0.00 61.98 61.62 2i45 s VAL 79 Cb -0.14 -4.49 -0.12 0.00 0.00 0.00 0.00 36.38 31.63 2i45 s VAL 79 CO 0.03 -1.07 2.05 -0.81 0.00 0.00 0.00 175.10 175.30 2i45 n PRO 80 N 7.14 1.28 -0.86 2.72 -0.04 -1.26 -3.29 135.00 140.68 2i45 n PRO 80 Ca -0.01 0.40 -0.31 0.00 -0.04 0.00 0.00 63.50 63.54 2i45 n PRO 80 Cb 0.47 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 2i45 n PRO 80 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2i45 n LYS 81 N 7.39 0.00 -0.44 0.54 -0.00 -1.26 -3.64 118.16 120.76 2i45 n LYS 81 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.66 2i45 n LYS 81 Cb 0.22 -0.71 0.00 0.00 -0.00 0.00 0.00 35.03 34.54 2i45 n LYS 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2i45 n SER 82 N 1.09 -1.31 -4.20 -5.58 2.88 -1.26 -4.92 113.62 100.31 2i45 n SER 82 Ca 0.11 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.53 2i45 n SER 82 Cb 0.11 -0.22 -0.10 0.00 -0.75 0.00 0.00 64.21 63.25 2i45 n SER 82 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2i45 s VAL 83 N -2.00 0.71 0.13 2.46 0.11 -1.24 -5.08 120.40 115.49 2i45 s VAL 83 Ca 0.00 -1.96 -0.15 0.00 -2.93 0.00 0.00 61.98 56.94 2i45 s VAL 83 Cb 0.00 -1.86 -0.07 0.00 -1.53 0.00 0.00 36.38 32.92 2i45 s VAL 83 CO 0.00 -0.71 0.55 -0.94 -3.33 0.00 0.00 175.10 170.67 2i45 s SER 84 N -3.10 6.86 0.07 3.54 1.04 -1.26 -4.35 113.70 116.50 2i45 s SER 84 Ca 0.17 1.10 -0.27 0.00 0.48 0.00 0.00 55.95 57.43 2i45 s SER 84 Cb 0.05 -2.30 0.09 0.00 0.10 0.00 0.00 66.02 63.96 2i45 s SER 84 CO -0.01 0.13 1.07 -1.38 0.98 0.00 0.00 173.24 174.03 2i45 s HIS 85 N -1.40 -0.12 -0.33 5.02 -0.00 -1.16 -2.96 115.29 114.34 2i45 s HIS 85 Ca 0.36 -0.10 -0.00 0.00 -0.00 0.00 0.00 55.06 55.32 2i45 s HIS 85 Cb -0.16 0.60 0.13 0.00 -0.00 0.00 0.00 32.58 33.15 2i45 s HIS 85 CO 0.19 -0.60 0.26 0.50 -0.00 0.00 0.00 174.74 175.09 2i45 s ARG 86 N -2.96 0.43 0.32 -0.38 3.52 -0.56 -0.94 118.95 118.38 2i45 s ARG 86 Ca 0.12 -0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 54.74 2i45 s ARG 86 Cb 0.01 -0.92 -0.11 0.00 -1.56 0.00 0.00 34.95 32.36 2i45 s ARG 86 CO -0.01 -1.11 1.53 -2.14 -0.81 0.00 0.00 175.30 172.76 2i45 s PRO 87 N 1.76 4.14 0.30 5.12 0.02 -1.26 -1.75 135.00 143.33 2i45 s PRO 87 Ca 0.13 2.54 -0.14 0.00 0.02 0.00 0.00 61.00 63.55 2i45 s PRO 87 Cb -0.17 -3.01 0.02 0.00 0.02 0.00 0.00 34.50 31.36 2i45 s PRO 87 CO -0.18 -0.56 0.62 -0.98 -0.33 0.00 0.00 177.00 175.57 2i45 s ARG 88 N -1.12 1.83 -0.27 5.54 1.70 0.10 -4.42 118.95 122.32 2i45 s ARG 88 Ca 0.59 -1.29 -0.01 0.00 -0.47 0.00 0.00 55.73 54.55 2i45 s ARG 88 Cb -0.47 0.54 0.16 0.00 -0.57 0.00 0.00 34.95 34.62 2i45 s ARG 88 CO 0.53 -0.81 0.46 0.45 -1.08 0.00 0.00 175.30 174.85 2i45 s SER 89 N -3.03 -0.31 0.31 -2.89 0.15 -0.74 -1.24 113.70 105.95 2i45 s SER 89 Ca 0.19 0.31 0.07 0.00 0.70 0.00 0.00 55.95 57.22 2i45 s SER 89 Cb -0.03 1.47 0.88 0.00 -1.71 0.00 0.00 66.02 66.62 2i45 s SER 89 CO 0.11 -0.30 1.65 -0.08 1.20 0.00 0.00 173.24 175.82 2i45 h GLU 90 N 8.12 0.25 0.00 5.44 4.57 -1.79 -3.32 114.58 127.85 2i45 h GLU 90 Ca -0.18 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2i45 h GLU 90 Cb 1.15 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2i45 h GLU 90 CO 0.26 0.17 0.00 0.09 -1.18 0.00 0.00 179.01 178.35 2i45 n ASN 91 N -5.15 0.60 0.00 1.04 3.02 -1.26 -4.89 115.26 108.61 2i45 n ASN 91 Ca 0.26 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 2i45 n ASN 91 Cb 0.81 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 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 -0.10 2.60 2.93 7.41 0.00 -1.24 -5.01 105.19 111.78 2i45 n GLY 92 Ca 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.01 6.24 -0.08 0.00 0.01 -0.25 -0.26 113.70 119.36 2i45 s SER 94 Ca 0.01 0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.55 2i45 s SER 94 Cb -0.03 -2.13 0.01 0.00 0.21 0.00 0.00 66.02 64.09 2i45 s SER 94 CO -0.00 0.08 -0.14 -0.22 0.41 0.00 0.00 173.24 173.37 2i45 s LEU 95 N 0.80 1.70 -0.01 2.44 2.96 0.33 0.56 118.68 127.46 2i45 s LEU 95 Ca 0.11 -0.35 -0.09 0.00 -0.22 0.00 0.00 54.13 53.58 2i45 s LEU 95 Cb -0.13 -0.93 -0.05 0.00 0.50 0.00 0.00 46.19 45.58 2i45 s LEU 95 CO 0.03 0.05 0.29 -0.69 -1.32 0.00 0.00 176.35 174.71 2i45 s VAL 96 N 0.68 5.25 0.04 1.68 1.01 -0.62 -1.56 120.40 126.87 2i45 s VAL 96 Ca -0.14 0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.32 2i45 s VAL 96 Cb -0.16 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2i45 s VAL 96 CO 0.04 0.47 -0.25 -0.76 0.00 0.00 0.00 175.10 174.60 2i45 s LEU 97 N -1.44 2.16 -0.08 3.92 1.02 0.60 -0.81 118.68 124.05 2i45 s LEU 97 Ca 0.25 -0.56 0.05 0.00 0.02 0.00 0.00 54.13 53.88 2i45 s LEU 97 Cb -0.14 -1.19 -0.00 0.00 0.02 0.00 0.00 46.19 44.87 2i45 s LEU 97 CO 0.13 0.23 -0.23 -0.63 0.02 0.00 0.00 176.35 175.87 2i45 s ILE 98 N -0.79 1.94 0.26 -0.59 1.09 -0.32 -1.28 121.20 121.52 2i45 s ILE 98 Ca 0.10 -0.98 -0.08 0.00 -1.10 0.00 0.00 60.65 58.60 2i45 s ILE 98 Cb -0.10 -1.67 -0.01 0.00 -1.06 0.00 0.00 42.46 39.63 2i45 s ILE 98 CO 0.02 0.54 0.41 -1.83 -0.10 0.00 0.00 174.94 173.98 2i45 s GLU 99 N 0.15 1.57 0.13 2.79 -1.05 0.13 -2.22 118.70 120.19 2i45 s GLU 99 Ca -0.12 -1.44 -0.32 0.00 -0.15 0.00 0.00 54.97 52.94 2i45 s GLU 99 Cb -0.16 0.43 -0.11 0.00 -0.44 0.00 0.00 34.13 33.85 2i45 s GLU 99 CO 0.06 -0.63 1.81 1.47 0.95 0.00 0.00 175.26 178.92 2i45 n LEU 100 N -0.40 3.94 -0.23 1.83 -0.00 -1.26 -0.17 117.00 120.71 2i45 n LEU 100 Ca -0.00 1.00 0.15 0.00 -0.00 0.00 0.00 56.01 57.16 2i45 n LEU 100 Cb 0.63 -1.53 0.75 0.00 -0.00 0.00 0.00 43.42 43.26 2i45 n LEU 100 CO 0.26 0.13 1.00 -0.24 -0.00 0.00 0.00 177.39 178.54