#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i45 n GLU 4 N 0.00 0.00 -1.83 -3.83 -0.58 -1.26 -5.02 120.64 108.12 2i45 n GLU 4 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 2i45 n GLU 4 Cb 0.00 -0.00 0.03 0.00 -0.57 0.00 0.00 31.44 30.90 2i45 n GLU 4 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2i45 s THR 5 N 0.00 3.66 -0.25 2.62 -4.23 -1.26 -5.03 115.64 111.15 2i45 s THR 5 Ca 0.00 0.72 -0.03 0.00 -1.18 0.00 0.00 61.69 61.20 2i45 s THR 5 Cb 0.00 -3.27 0.01 0.00 1.34 0.00 0.00 72.50 70.58 2i45 s THR 5 CO 0.00 -0.53 -0.04 -0.63 -0.54 0.00 0.00 174.62 172.88 2i45 s ILE 6 N -2.55 3.16 -0.60 2.99 1.01 -1.26 -5.04 121.20 118.90 2i45 s ILE 6 Ca 0.63 -0.81 -0.26 0.00 0.00 0.00 0.00 60.65 60.21 2i45 s ILE 6 Cb -0.17 -2.55 0.04 0.00 0.01 0.00 0.00 42.46 39.79 2i45 s ILE 6 CO 0.42 0.26 1.09 0.21 0.00 0.00 0.00 174.94 176.93 2i45 s ASN 7 N 1.40 6.33 0.37 3.58 3.84 -1.26 -4.89 114.94 124.30 2i45 s ASN 7 Ca 0.02 -0.26 0.10 0.00 0.21 0.00 0.00 52.86 52.93 2i45 s ASN 7 Cb -0.16 -2.50 0.85 0.00 -0.55 0.00 0.00 41.25 38.89 2i45 s ASN 7 CO -0.03 -1.45 1.89 -0.07 -2.79 0.00 0.00 177.10 174.65 2i45 h LEU 8 N 11.71 0.61 0.21 3.21 4.07 -1.99 -1.79 115.31 131.35 2i45 h LEU 8 Ca -0.26 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.72 2i45 h LEU 8 Cb 1.06 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.71 2i45 h LEU 8 CO 1.17 0.32 -0.10 0.50 -1.08 0.00 0.00 178.44 179.25 2i45 h LYS 9 N 0.66 -0.28 0.15 1.13 3.11 -1.99 -0.73 116.57 118.62 2i45 h LYS 9 Ca 0.42 0.02 -0.29 0.00 -2.81 0.00 0.00 60.65 57.99 2i45 h LYS 9 Cb 0.68 0.06 0.02 0.00 -1.00 0.00 0.00 32.23 31.99 2i45 h LYS 9 CO -0.18 0.03 -1.29 -0.56 -2.81 0.00 0.00 179.45 174.64 2i45 h GLN 10 N -0.59 0.38 -0.46 1.90 3.07 -1.95 -0.47 115.11 117.00 2i45 h GLN 10 Ca -0.03 -0.62 0.04 0.00 0.09 0.00 0.00 58.65 58.14 2i45 h GLN 10 Cb 0.43 0.23 -0.04 0.00 0.08 0.00 0.00 27.48 28.18 2i45 h GLN 10 CO 0.05 1.29 0.22 0.45 0.09 0.00 0.00 178.83 180.92 2i45 h HIS 11 N 0.12 0.40 0.04 0.06 3.86 -1.38 -2.99 115.15 115.26 2i45 h HIS 11 Ca -0.17 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.07 2i45 h HIS 11 Cb 2.00 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 30.34 2i45 h HIS 11 CO 0.09 0.19 -0.07 -0.07 0.86 0.00 0.00 177.93 178.92 2i45 h LEU 12 N 0.43 -0.20 -2.18 2.43 -0.00 -0.67 -2.99 115.31 112.13 2i45 h LEU 12 Ca 0.20 0.03 0.04 0.00 -0.00 0.00 0.00 57.88 58.15 2i45 h LEU 12 Cb 0.13 0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.86 2i45 h LEU 12 CO -0.16 -0.11 0.13 0.00 -0.00 0.00 0.00 178.44 178.31 2i45 h ALA 13 N 0.81 1.92 0.00 1.53 0.00 -1.09 -0.31 119.26 122.12 2i45 h ALA 13 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2i45 h ALA 13 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2i45 h ALA 13 CO -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 178.99 2i45 n ALA 14 N -2.44 2.25 -3.00 0.00 0.00 -1.13 -4.55 120.51 111.64 2i45 n ALA 14 Ca 0.01 -0.13 -0.39 0.00 0.00 0.00 0.00 53.44 52.93 2i45 n ALA 14 Cb 0.26 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 2i45 n ALA 14 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2i45 s ILE 15 N -2.11 4.26 -0.87 0.00 1.01 -0.13 -4.93 121.20 118.43 2i45 s ILE 15 Ca 0.30 -1.00 0.24 0.00 0.00 0.00 0.00 60.65 60.19 2i45 s ILE 15 Cb 0.14 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 2i45 s ILE 15 CO 0.26 -0.23 1.26 0.29 0.00 0.00 0.00 174.94 176.51 2i45 n LYS 16 N 4.92 0.10 -4.11 2.79 4.76 -1.26 -4.95 118.16 120.41 2i45 n LYS 16 Ca -0.12 0.01 -0.24 0.00 -2.87 0.00 0.00 58.31 55.09 2i45 n LYS 16 Cb 0.45 -1.54 -0.05 0.00 -1.84 0.00 0.00 35.03 32.05 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 -3.06 2.85 0.11 1.97 0.41 -1.26 -5.11 118.70 114.60 2i45 s GLU 17 Ca 0.08 -0.98 0.05 0.00 -0.41 0.00 0.00 54.97 53.71 2i45 s GLU 17 Cb 0.16 -2.57 -0.04 0.00 -1.78 0.00 0.00 34.13 29.90 2i45 s GLU 17 CO 0.75 0.45 0.05 0.71 -0.49 0.00 0.00 175.26 176.72 2i45 s TYR 18 N -1.92 3.06 -0.67 1.61 1.51 -1.26 -4.33 117.35 115.35 2i45 s TYR 18 Ca 0.31 -0.01 0.00 0.00 -1.01 0.00 0.00 57.07 56.36 2i45 s TYR 18 Cb -0.09 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.23 2i45 s TYR 18 CO 0.23 0.50 0.00 0.91 -1.11 0.00 0.00 175.55 176.09 2i45 n TRP 19 N 0.25 0.00 -3.77 2.71 7.02 0.16 -4.92 117.44 118.88 2i45 n TRP 19 Ca -0.09 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.03 2i45 n TRP 19 Cb 0.53 -1.94 -0.11 0.00 -2.42 0.00 0.00 31.31 27.37 2i45 n TRP 19 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2i45 s GLN 20 N -2.20 2.15 0.21 -0.99 -0.21 -1.26 -5.02 119.66 112.32 2i45 s GLN 20 Ca 0.00 -2.05 -0.14 0.00 0.02 0.00 0.00 55.36 53.19 2i45 s GLN 20 Cb 0.00 -3.61 -0.08 0.00 1.00 0.00 0.00 33.01 30.33 2i45 s GLN 20 CO 0.00 -1.10 0.60 -1.25 -2.12 0.00 0.00 175.29 171.42 2i45 s PRO 21 N 0.74 3.97 -0.04 2.91 0.04 -1.26 -4.69 135.00 136.67 2i45 s PRO 21 Ca 0.11 0.51 -0.03 0.00 0.04 0.00 0.00 61.00 61.64 2i45 s PRO 21 Cb -0.22 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 2i45 s PRO 21 CO -0.04 0.37 0.12 -1.21 0.04 0.00 0.00 177.00 176.28 2i45 s GLU 22 N -2.36 3.27 -0.13 4.56 0.41 -0.38 -4.95 118.70 119.13 2i45 s GLU 22 Ca 0.44 -0.34 0.01 0.00 -0.41 0.00 0.00 54.97 54.67 2i45 s GLU 22 Cb -0.13 -3.01 -0.01 0.00 -1.78 0.00 0.00 34.13 29.20 2i45 s GLU 22 CO 0.20 0.69 -0.16 0.42 -0.49 0.00 0.00 175.26 175.92 2i45 s ILE 23 N -1.17 2.76 -0.13 -1.63 1.01 -1.26 -0.99 121.20 119.80 2i45 s ILE 23 Ca 0.21 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2i45 s ILE 23 Cb -0.12 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.21 2i45 s ILE 23 CO 0.12 0.53 -0.20 -0.63 0.00 0.00 0.00 174.94 174.76 2i45 s ILE 24 N 0.40 2.32 -0.05 2.92 -1.09 -0.61 -4.98 121.20 120.11 2i45 s ILE 24 Ca -0.12 -0.91 -0.12 0.00 -2.23 0.00 0.00 60.65 57.27 2i45 s ILE 24 Cb -0.16 -1.93 -0.05 0.00 -1.58 0.00 0.00 42.46 38.73 2i45 s ILE 24 CO 0.06 0.54 0.31 0.20 -1.23 0.00 0.00 174.94 174.82 2i45 s ASN 25 N 0.58 6.65 -0.28 3.58 -0.87 -1.26 -0.79 114.94 122.55 2i45 s ASN 25 Ca -0.11 0.77 -0.02 0.00 -1.57 0.00 0.00 52.86 51.92 2i45 s ASN 25 Cb -0.16 -2.18 0.12 0.00 -0.02 0.00 0.00 41.25 39.00 2i45 s ASN 25 CO 0.03 0.34 0.23 -0.60 -2.57 0.00 0.00 177.10 174.54 2i45 s ARG 26 N -0.99 0.26 0.00 -0.60 6.06 -0.51 -5.02 118.95 118.15 2i45 s ARG 26 Ca 0.20 -0.21 0.00 0.00 -2.50 0.00 0.00 55.73 53.22 2i45 s ARG 26 Cb -0.15 -0.90 0.00 0.00 0.06 0.00 0.00 34.95 33.96 2i45 s ARG 26 CO 0.10 -0.97 0.00 0.72 -2.50 0.00 0.00 175.30 172.65 2i45 n HIS 27 N 5.29 0.00 1.08 5.12 8.25 -1.26 -1.92 115.22 131.79 2i45 n HIS 27 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2i45 n HIS 27 Cb 0.46 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.58 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 1.15 3.33 -1.41 0.00 -1.26 -4.79 105.19 102.21 2i45 n GLY 28 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.23 1.89 -0.07 1.61 0.08 -0.81 -1.55 117.98 117.91 2i45 s PHE 29 Ca 0.02 -0.43 0.02 0.00 0.12 0.00 0.00 56.93 56.66 2i45 s PHE 29 Cb 0.02 -0.98 0.01 0.00 -0.57 0.00 0.00 43.02 41.50 2i45 s PHE 29 CO 0.01 0.30 -0.12 -1.14 -0.10 0.00 0.00 175.22 174.17 2i45 s GLN 30 N -2.39 1.67 -0.06 0.44 0.74 -0.33 -1.42 119.66 118.31 2i45 s GLN 30 Ca 0.12 -0.39 0.02 0.00 0.05 0.00 0.00 55.36 55.16 2i45 s GLN 30 Cb -0.08 -1.41 -0.03 0.00 1.10 0.00 0.00 33.01 32.59 2i45 s GLN 30 CO 0.06 -0.00 -0.09 -0.06 -0.55 0.00 0.00 175.29 174.64 2i45 s PHE 31 N 0.77 2.86 -0.12 1.67 0.08 0.03 -1.85 117.98 121.42 2i45 s PHE 31 Ca -0.13 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 56.89 2i45 s PHE 31 Cb -0.15 -1.68 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 2i45 s PHE 31 CO 0.02 0.29 -0.13 -1.01 -0.10 0.00 0.00 175.22 174.29 2i45 s HIS 32 N -0.79 2.80 -0.18 0.36 3.76 0.40 -1.57 115.29 120.07 2i45 s HIS 32 Ca 0.12 -0.63 -0.01 0.00 -0.15 0.00 0.00 55.06 54.39 2i45 s HIS 32 Cb -0.11 -1.83 -0.00 0.00 1.11 0.00 0.00 32.58 31.75 2i45 s HIS 32 CO 0.01 -0.20 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.08 2i45 s LEU 33 N 0.29 2.60 -0.01 0.89 1.02 -0.16 -1.10 118.68 122.21 2i45 s LEU 33 Ca -0.10 -0.45 -0.03 0.00 0.02 0.00 0.00 54.13 53.56 2i45 s LEU 33 Cb -0.16 -1.62 -0.00 0.00 0.02 0.00 0.00 46.19 44.43 2i45 s LEU 33 CO 0.06 0.04 0.07 -0.69 0.02 0.00 0.00 176.35 175.85 2i45 s VAL 34 N 1.10 0.05 -0.22 -1.59 1.01 -0.90 -1.25 120.40 118.60 2i45 s VAL 34 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 2i45 s VAL 34 Cb -0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 2i45 s VAL 34 CO -0.03 -0.22 0.05 -0.54 0.00 0.00 0.00 175.10 174.36 2i45 s LYS 35 N -0.70 3.74 -0.10 2.72 1.02 -1.26 -0.87 119.74 124.29 2i45 s LYS 35 Ca -0.08 -0.45 -0.05 0.00 0.02 0.00 0.00 55.97 55.42 2i45 s LYS 35 Cb -0.05 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 2i45 s LYS 35 CO 0.00 -0.00 0.08 -0.51 -0.92 0.00 0.00 175.35 174.00 2i45 s LEU 36 N 1.10 4.04 -0.02 3.17 1.02 0.78 0.35 118.68 129.12 2i45 s LEU 36 Ca 0.04 0.33 -0.26 0.00 0.02 0.00 0.00 54.13 54.25 2i45 s LEU 36 Cb -0.14 -1.97 0.06 0.00 0.02 0.00 0.00 46.19 44.16 2i45 s LEU 36 CO 0.03 0.39 0.59 -0.22 0.02 0.00 0.00 176.35 177.16 2i45 s LEU 37 N -0.98 -0.30 0.00 1.79 2.96 -1.26 -1.03 118.68 119.86 2i45 s LEU 37 Ca 0.14 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.54 2i45 s LEU 37 Cb -0.12 2.26 0.00 0.00 0.50 0.00 0.00 46.19 48.83 2i45 s LEU 37 CO 0.03 -0.62 0.00 0.61 -1.32 0.00 0.00 176.35 175.05 2i45 n GLY 38 N 0.81 1.97 3.36 7.98 0.00 -1.03 -4.72 105.19 113.57 2i45 n GLY 38 Ca -0.19 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 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 0.96 -0.27 1.61 1.47 -1.26 -1.98 116.67 113.20 2i45 s ASP 39 Ca 0.00 -1.53 0.14 0.00 1.18 0.00 0.00 52.55 52.35 2i45 s ASP 39 Cb 0.00 0.56 0.48 0.00 -0.34 0.00 0.00 42.92 43.62 2i45 s ASP 39 CO 0.00 -1.10 1.16 -1.22 0.68 0.00 0.00 175.17 174.69 2i45 n TYR 40 N -0.51 2.05 -4.70 2.11 4.02 -1.26 -5.11 117.16 113.76 2i45 n TYR 40 Ca 0.03 -2.16 0.00 0.00 -0.01 0.00 0.00 57.90 55.77 2i45 n TYR 40 Cb 0.63 -0.29 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 -0.66 -0.59 3.84 2.72 0.00 -1.26 -4.81 105.19 104.44 2i45 n GLY 41 Ca 0.28 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 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 3.39 0.02 1.61 0.52 -1.26 -4.57 118.94 118.65 2i45 s TRP 42 Ca 0.00 1.43 0.00 0.00 0.02 0.00 0.00 56.10 57.55 2i45 s TRP 42 Cb 0.00 -2.73 -0.02 0.00 -1.15 0.00 0.00 33.47 29.57 2i45 s TRP 42 CO 0.00 -0.16 -0.03 -1.01 0.02 0.00 0.00 176.95 175.77 2i45 s HIS 43 N -2.32 0.27 0.00 -1.98 3.76 -0.04 -4.97 115.29 110.01 2i45 s HIS 43 Ca 0.58 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 2i45 s HIS 43 Cb -0.10 -0.19 0.00 0.00 1.11 0.00 0.00 32.58 33.40 2i45 s HIS 43 CO 0.22 -0.16 0.00 -2.37 -0.85 0.00 0.00 174.74 171.58 2i45 n THR 44 N 1.76 0.00 -0.02 1.30 5.66 -1.26 -1.21 114.28 120.51 2i45 n THR 44 Ca -0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 2i45 n THR 44 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 2i45 n THR 44 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2i45 n HIS 45 N 0.00 0.00 0.00 1.09 -0.00 -1.26 -4.86 115.22 110.19 2i45 n HIS 45 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2i45 n HIS 45 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2i45 n HIS 45 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2i45 n SER 48 N -1.88 0.00 -4.57 0.26 3.41 -1.26 -4.77 113.62 104.81 2i45 n SER 48 Ca 0.00 0.33 -0.29 0.00 -0.26 0.00 0.00 58.87 58.65 2i45 n SER 48 Cb 0.21 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.32 2i45 n SER 48 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2i45 s ASP 49 N -2.44 3.01 0.02 4.04 -0.00 -1.26 -4.61 116.67 115.43 2i45 s ASP 49 Ca 0.00 0.86 0.04 0.00 -0.00 0.00 0.00 52.55 53.44 2i45 s ASP 49 Cb 0.00 -1.33 -0.02 0.00 -0.00 0.00 0.00 42.92 41.57 2i45 s ASP 49 CO 0.00 -2.85 -0.12 -0.54 -0.00 0.00 0.00 175.17 171.66 2i45 s LYS 50 N -5.34 0.84 -0.19 8.23 1.02 -1.06 -4.75 119.74 118.50 2i45 s LYS 50 Ca 0.66 -0.62 -0.20 0.00 0.02 0.00 0.00 55.97 55.83 2i45 s LYS 50 Cb -0.13 -0.81 -0.03 0.00 -0.52 0.00 0.00 37.83 36.34 2i45 s LYS 50 CO 0.54 0.21 0.57 0.08 -0.92 0.00 0.00 175.35 175.83 2i45 s VAL 51 N -0.70 5.07 -0.19 3.17 1.01 -0.38 -2.38 120.40 126.01 2i45 s VAL 51 Ca 0.01 1.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.99 2i45 s VAL 51 Cb -0.07 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2i45 s VAL 51 CO 0.01 0.16 0.06 -0.76 0.00 0.00 0.00 175.10 174.56 2i45 s LEU 52 N 1.66 3.74 -0.17 3.92 1.43 0.30 -0.75 118.68 128.80 2i45 s LEU 52 Ca 0.27 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2i45 s LEU 52 Cb -0.16 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.15 2i45 s LEU 52 CO 0.10 0.15 -0.11 0.12 0.23 0.00 0.00 176.35 176.84 2i45 s PHE 53 N 0.50 2.22 -0.65 0.29 5.36 0.26 -2.00 117.98 123.96 2i45 s PHE 53 Ca 0.03 -1.38 -0.28 0.00 -0.96 0.00 0.00 56.93 54.34 2i45 s PHE 53 Cb -0.13 -1.58 0.03 0.00 -0.34 0.00 0.00 43.02 41.00 2i45 s PHE 53 CO 0.01 -0.70 1.28 0.00 -1.46 0.00 0.00 175.22 174.36 2i45 s ALA 54 N 1.46 2.83 -0.14 11.12 0.00 -0.85 -1.36 121.76 134.82 2i45 s ALA 54 Ca 0.01 -1.06 -0.27 0.00 0.00 0.00 0.00 51.96 50.65 2i45 s ALA 54 Cb -0.15 -4.16 -0.24 0.00 0.00 0.00 0.00 23.12 18.57 2i45 s ALA 54 CO -0.09 -3.03 0.68 0.28 0.00 0.00 0.00 175.76 173.60 2i45 h VAL 55 N 6.15 1.64 0.00 0.00 2.07 -1.33 0.67 116.25 125.46 2i45 h VAL 55 Ca -0.27 -2.28 -0.23 0.00 0.82 0.00 0.00 66.70 64.74 2i45 h VAL 55 Cb 1.06 3.14 -0.03 0.00 -1.52 0.00 0.00 31.29 33.94 2i45 h VAL 55 CO 1.23 0.56 -1.72 1.21 0.02 0.00 0.00 177.57 178.87 2i45 n GLU 56 N -4.60 0.34 0.00 1.57 2.13 -1.19 -4.38 120.64 114.51 2i45 n GLU 56 Ca -0.12 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.85 2i45 n GLU 56 Cb 0.48 -1.08 0.00 0.00 0.27 0.00 0.00 31.44 31.11 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 2.02 5.72 3.95 8.31 0.00 -1.26 -4.71 105.19 119.23 2i45 n GLY 57 Ca -0.29 -1.84 -0.19 0.00 0.00 0.00 0.00 46.02 43.69 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 1.00 5.28 0.06 1.61 1.01 -1.25 -2.96 116.67 121.42 2i45 s ASP 58 Ca 0.00 -0.66 -0.06 0.00 0.71 0.00 0.00 52.55 52.55 2i45 s ASP 58 Cb 0.00 -0.44 -0.01 0.00 1.01 0.00 0.00 42.92 43.48 2i45 s ASP 58 CO 0.00 -0.81 0.10 0.00 0.21 0.00 0.00 175.17 174.68 2i45 s ALA 60 N -2.47 0.01 -0.11 5.23 0.00 0.64 -4.32 121.76 120.75 2i45 s ALA 60 Ca 0.52 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.74 2i45 s ALA 60 Cb -0.06 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.43 2i45 s ALA 60 CO 0.31 -0.42 -0.14 0.08 0.00 0.00 0.00 175.76 175.59 2i45 s VAL 61 N -3.50 1.45 0.22 0.00 1.01 -1.26 -0.92 120.40 117.39 2i45 s VAL 61 Ca 0.03 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 2i45 s VAL 61 Cb 0.04 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 2i45 s VAL 61 CO -0.09 0.43 0.49 -1.81 0.00 0.00 0.00 175.10 174.12 2i45 s ASP 62 N 1.03 6.53 0.13 3.32 1.01 -0.73 -4.34 116.67 123.61 2i45 s ASP 62 Ca -0.06 0.74 0.09 0.00 0.71 0.00 0.00 52.55 54.03 2i45 s ASP 62 Cb -0.15 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 2i45 s ASP 62 CO -0.02 -0.06 -0.22 -0.36 0.21 0.00 0.00 175.17 174.72 2i45 s PHE 63 N -1.83 1.93 0.46 4.23 0.08 0.10 -0.98 117.98 121.96 2i45 s PHE 63 Ca 0.44 -0.42 0.22 0.00 0.12 0.00 0.00 56.93 57.29 2i45 s PHE 63 Cb -0.11 -1.03 1.21 0.00 -0.57 0.00 0.00 43.02 42.51 2i45 s PHE 63 CO 0.25 0.28 1.88 0.00 -0.10 0.00 0.00 175.22 177.52 2i45 h ALA 64 N 3.82 2.38 -0.14 5.36 0.00 -1.78 -1.71 119.26 127.20 2i45 h ALA 64 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2i45 h ALA 64 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2i45 h ALA 64 CO 0.42 -0.65 0.00 -0.40 0.00 0.00 0.00 179.25 178.62 2i45 n ASP 65 N -4.44 1.45 0.00 0.00 5.68 -1.26 -4.86 116.55 113.12 2i45 n ASP 65 Ca 0.18 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 2i45 n ASP 65 Cb 0.75 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 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 0.44 2.45 3.75 6.12 0.00 -0.64 -4.98 105.19 112.32 2i45 n GLY 66 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.87 2.15 0.00 -0.02 0.00 -1.25 -4.84 107.32 101.49 2i45 s GLY 67 Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 44.72 46.19 2i45 s GLY 67 CO 0.00 2.46 0.00 -1.26 0.00 0.00 0.00 173.10 174.30 2i45 n SER 68 N 2.36 1.04 -3.73 1.64 2.88 -1.26 0.00 113.62 116.55 2i45 n SER 68 Ca 0.08 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.50 2i45 n SER 68 Cb 0.38 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.72 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 1.13 -0.03 -0.29 2.46 2.01 -1.26 -4.95 115.64 114.71 2i45 s THR 70 Ca 0.00 0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 2i45 s THR 70 Cb 0.00 -0.41 0.04 0.00 0.01 0.00 0.00 72.50 72.14 2i45 s THR 70 CO 0.00 0.05 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.35 2i45 s ILE 71 N 1.09 3.12 0.53 1.82 1.01 -1.26 -4.98 121.20 122.54 2i45 s ILE 71 Ca -0.08 -1.18 -0.01 0.00 0.00 0.00 0.00 60.65 59.39 2i45 s ILE 71 Cb -0.09 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.69 2i45 s ILE 71 CO -0.08 0.00 0.78 -0.13 0.00 0.00 0.00 174.94 175.52 2i45 s ARG 72 N 1.31 2.77 -0.14 2.79 0.52 -1.26 -4.62 118.95 120.32 2i45 s ARG 72 Ca -0.02 -0.49 -0.38 0.00 -0.52 0.00 0.00 55.73 54.32 2i45 s ARG 72 Cb -0.18 -2.45 -0.15 0.00 0.52 0.00 0.00 34.95 32.69 2i45 s ARG 72 CO -0.01 -0.60 1.67 -1.91 0.02 0.00 0.00 175.30 174.47 2i45 n GLU 73 N -2.34 1.38 -0.68 3.54 2.13 -1.15 -0.58 120.64 122.93 2i45 n GLU 73 Ca 0.05 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.37 2i45 n GLU 73 Cb 0.59 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 30.08 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 3.83 0.61 0.00 8.31 0.00 0.23 -5.03 105.19 113.15 2i45 n GLY 74 Ca 0.24 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.68 3.33 0.00 1.61 1.02 0.25 -4.97 120.64 119.20 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 -4.01 0.62 0.00 -0.85 -2.00 120.51 111.27 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 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 2i45 n ALA 77 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2i45 s VAL 78 N -2.00 1.96 -0.27 0.00 1.01 -1.26 0.11 120.40 119.95 2i45 s VAL 78 Ca 0.00 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 2i45 s VAL 78 Cb 0.00 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 2i45 s VAL 78 CO 0.00 0.53 0.66 -0.69 0.00 0.00 0.00 175.10 175.60 2i45 s VAL 79 N 1.23 4.94 0.28 2.92 1.01 -1.00 -4.93 120.40 124.85 2i45 s VAL 79 Ca 0.03 1.11 -0.04 0.00 0.00 0.00 0.00 61.98 63.07 2i45 s VAL 79 Cb -0.13 -3.99 0.07 0.00 0.00 0.00 0.00 36.38 32.32 2i45 s VAL 79 CO -0.10 -0.05 0.15 -2.65 0.00 0.00 0.00 175.10 172.44 2i45 n PRO 80 N 5.83 -1.68 -3.90 2.72 -0.02 -1.26 -2.55 135.00 134.13 2i45 n PRO 80 Ca 0.00 -0.25 -0.31 0.00 -2.02 0.00 0.00 63.50 60.92 2i45 n PRO 80 Cb 0.49 -0.37 -0.04 0.00 -0.02 0.00 0.00 33.50 33.56 2i45 n PRO 80 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2i45 s LYS 81 N -2.83 3.45 -1.48 -0.52 2.47 -1.26 -4.47 119.74 115.11 2i45 s LYS 81 Ca 0.12 -0.40 0.00 0.00 -1.56 0.00 0.00 55.97 54.12 2i45 s LYS 81 Cb -0.02 -3.03 0.00 0.00 -1.46 0.00 0.00 37.83 33.32 2i45 s LYS 81 CO 0.10 0.61 0.00 0.43 0.16 0.00 0.00 175.35 176.64 2i45 n SER 82 N 0.34 -5.04 -4.09 1.43 7.64 -1.26 -4.99 113.62 107.65 2i45 n SER 82 Ca -0.05 0.08 -0.31 0.00 1.01 0.00 0.00 58.87 59.59 2i45 n SER 82 Cb 0.51 -4.23 -0.16 0.00 -1.01 0.00 0.00 64.21 59.32 2i45 n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2i45 s VAL 83 N -2.85 1.83 0.25 0.44 -7.23 -1.26 -5.00 120.40 106.58 2i45 s VAL 83 Ca 0.00 -0.81 -0.31 0.00 -1.81 0.00 0.00 61.98 59.05 2i45 s VAL 83 Cb 0.00 -1.67 -0.14 0.00 0.56 0.00 0.00 36.38 35.13 2i45 s VAL 83 CO 0.00 0.50 1.28 -1.20 -0.31 0.00 0.00 175.10 175.37 2i45 n SER 84 N 4.52 2.25 -3.56 4.85 7.64 -1.26 -4.82 113.62 123.24 2i45 n SER 84 Ca -0.19 1.16 -0.11 0.00 1.01 0.00 0.00 58.87 60.73 2i45 n SER 84 Cb 0.50 -1.37 -0.04 0.00 -1.01 0.00 0.00 64.21 62.29 2i45 n SER 84 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2i45 s HIS 85 N -0.39 -0.32 -0.25 1.43 -3.43 -0.35 -2.60 115.29 109.38 2i45 s HIS 85 Ca 0.66 0.05 -0.02 0.00 -0.80 0.00 0.00 55.06 54.94 2i45 s HIS 85 Cb -0.69 0.36 0.08 0.00 -1.43 0.00 0.00 32.58 30.90 2i45 s HIS 85 CO 0.54 -0.75 0.08 0.50 -2.00 0.00 0.00 174.74 173.11 2i45 s ARG 86 N -3.73 0.58 0.50 -0.38 3.52 -0.15 -0.86 118.95 118.43 2i45 s ARG 86 Ca 0.02 -0.68 -0.22 0.00 -0.13 0.00 0.00 55.73 54.72 2i45 s ARG 86 Cb 0.01 -1.89 -0.06 0.00 -1.56 0.00 0.00 34.95 31.45 2i45 s ARG 86 CO -0.12 -0.84 1.26 -2.14 -0.81 0.00 0.00 175.30 172.66 2i45 s PRO 87 N 1.82 3.44 -0.06 5.12 0.02 -1.26 -1.78 135.00 142.29 2i45 s PRO 87 Ca 0.05 2.01 -0.31 0.00 0.02 0.00 0.00 61.00 62.77 2i45 s PRO 87 Cb -0.17 -2.33 0.11 0.00 0.02 0.00 0.00 34.50 32.13 2i45 s PRO 87 CO -0.20 -0.88 1.06 -0.98 -0.33 0.00 0.00 177.00 175.68 2i45 s ARG 88 N -2.80 0.61 -0.23 5.54 1.70 -0.10 -4.41 118.95 119.26 2i45 s ARG 88 Ca 0.68 -0.25 -0.04 0.00 -0.47 0.00 0.00 55.73 55.64 2i45 s ARG 88 Cb -0.35 0.26 0.12 0.00 -0.57 0.00 0.00 34.95 34.42 2i45 s ARG 88 CO 0.41 -0.27 0.41 0.45 -1.08 0.00 0.00 175.30 175.22 2i45 s SER 89 N -2.46 -0.06 0.45 -2.89 0.15 -0.84 -0.26 113.70 107.80 2i45 s SER 89 Ca 0.08 0.57 0.17 0.00 0.70 0.00 0.00 55.95 57.47 2i45 s SER 89 Cb -0.00 1.28 1.12 0.00 -1.71 0.00 0.00 66.02 66.70 2i45 s SER 89 CO -0.06 -0.27 1.96 -0.08 1.20 0.00 0.00 173.24 176.00 2i45 h GLU 90 N 8.17 0.31 0.00 5.44 4.57 -1.86 -2.72 114.58 128.48 2i45 h GLU 90 Ca -0.18 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2i45 h GLU 90 Cb 1.14 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 2i45 h GLU 90 CO 0.21 0.20 0.00 0.09 -1.18 0.00 0.00 179.01 178.34 2i45 n ASN 91 N -4.45 0.41 0.00 1.04 3.02 -1.26 -4.75 115.26 109.26 2i45 n ASN 91 Ca 0.11 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 2i45 n ASN 91 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 -0.07 2.56 3.06 7.41 0.00 -1.24 -5.02 105.19 111.89 2i45 n GLY 92 Ca 0.00 -1.30 -0.17 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.84 5.54 -0.12 0.00 0.01 -1.26 -0.16 113.70 116.87 2i45 s SER 94 Ca -0.00 -0.70 -0.02 0.00 1.31 0.00 0.00 55.95 56.53 2i45 s SER 94 Cb -0.06 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 64.15 2i45 s SER 94 CO 0.00 -0.25 -0.03 -0.22 0.41 0.00 0.00 173.24 173.15 2i45 s LEU 95 N 1.58 3.35 -0.14 2.44 0.20 -0.05 -0.86 118.68 125.19 2i45 s LEU 95 Ca 0.03 -0.03 -0.05 0.00 0.69 0.00 0.00 54.13 54.78 2i45 s LEU 95 Cb -0.18 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.77 2i45 s LEU 95 CO 0.06 0.26 0.03 -0.69 -0.29 0.00 0.00 176.35 175.72 2i45 s VAL 96 N -0.19 4.52 -0.08 1.68 1.01 -0.46 -2.12 120.40 124.75 2i45 s VAL 96 Ca 0.04 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.92 2i45 s VAL 96 Cb -0.13 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 2i45 s VAL 96 CO 0.02 0.52 -0.23 -0.76 0.00 0.00 0.00 175.10 174.65 2i45 s LEU 97 N -0.09 2.04 -0.08 3.92 1.02 -0.26 0.93 118.68 126.17 2i45 s LEU 97 Ca 0.05 -0.51 0.05 0.00 0.02 0.00 0.00 54.13 53.74 2i45 s LEU 97 Cb -0.12 -1.32 -0.01 0.00 0.02 0.00 0.00 46.19 44.75 2i45 s LEU 97 CO 0.02 0.19 -0.22 -0.63 0.02 0.00 0.00 176.35 175.72 2i45 s ILE 98 N 0.12 2.27 0.09 -0.59 1.01 0.07 -0.45 121.20 123.72 2i45 s ILE 98 Ca -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.58 2i45 s ILE 98 Cb -0.16 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 2i45 s ILE 98 CO 0.06 0.56 -0.06 -1.83 0.00 0.00 0.00 174.94 173.67 2i45 s GLU 99 N -0.01 0.80 0.52 2.79 -1.05 -0.77 -1.24 118.70 119.74 2i45 s GLU 99 Ca -0.07 -1.32 -0.19 0.00 -0.15 0.00 0.00 54.97 53.24 2i45 s GLU 99 Cb -0.15 -0.13 -0.07 0.00 -0.44 0.00 0.00 34.13 33.34 2i45 s GLU 99 CO 0.05 -0.04 1.07 -0.51 0.95 0.00 0.00 175.26 176.78 2i45 s LEU 100 N -3.02 3.76 0.00 1.83 2.01 -1.26 -1.19 118.68 120.81 2i45 s LEU 100 Ca 0.11 1.98 0.14 0.00 0.01 0.00 0.00 54.13 56.37 2i45 s LEU 100 Cb 0.06 -4.56 0.84 0.00 0.01 0.00 0.00 46.19 42.53 2i45 s LEU 100 CO -0.06 -0.96 1.26 -1.54 1.01 0.00 0.00 176.35 176.06