#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3adn s TRP 7 N 0.00 3.44 0.05 1.08 -0.00 -0.42 -4.95 118.94 118.14 3adn s TRP 7 Ca 0.00 0.88 0.04 0.00 -0.00 0.00 0.00 56.10 57.01 3adn s TRP 7 Cb 0.00 -2.66 -0.04 0.00 -0.00 0.00 0.00 33.47 30.78 3adn s TRP 7 CO 0.00 0.00 -0.02 -1.01 -0.00 0.00 0.00 176.95 175.92 3adn s HIS 8 N 1.24 2.98 -0.16 5.86 3.76 -1.26 -0.68 115.29 127.02 3adn s HIS 8 Ca 0.27 -0.00 -0.16 0.00 -0.15 0.00 0.00 55.06 55.01 3adn s HIS 8 Cb -0.16 -1.58 -0.04 0.00 1.11 0.00 0.00 32.58 31.91 3adn s HIS 8 CO 0.11 0.45 0.39 -2.00 -0.85 0.00 0.00 174.74 172.84 3adn s GLU 9 N -1.91 4.25 0.00 1.40 2.12 -0.36 -4.92 118.70 119.28 3adn s GLU 9 Ca 0.22 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.80 3adn s GLU 9 Cb -0.11 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.80 3adn s GLU 9 CO 0.14 0.10 0.00 2.41 -0.54 0.00 0.00 175.26 177.37 3adn n THR 10 N 3.92 0.00 0.00 -1.70 -1.04 0.17 -4.53 114.28 111.09 3adn n THR 10 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3adn n THR 10 Cb 0.51 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 3adn n THR 10 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3adn n LEU 11 N 0.00 0.00 -4.69 -4.42 7.94 -1.19 -4.47 117.00 110.17 3adn n LEU 11 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 3adn n LEU 11 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 3adn n LEU 11 CO 0.00 0.00 0.56 -1.00 -1.11 0.00 0.00 177.39 175.84 3adn s HIS 12 N 0.00 3.53 0.19 1.96 3.76 -1.26 -5.06 115.29 118.41 3adn s HIS 12 Ca 0.00 1.35 -0.10 0.00 -0.15 0.00 0.00 55.06 56.16 3adn s HIS 12 Cb 0.00 -2.97 -0.07 0.00 1.11 0.00 0.00 32.58 30.65 3adn s HIS 12 CO 0.00 -0.08 0.52 -0.51 -0.85 0.00 0.00 174.74 173.82 3adn s ASP 13 N 1.00 6.66 0.00 1.40 1.01 -1.26 -4.07 116.67 121.41 3adn s ASP 13 Ca 0.41 0.91 0.00 0.00 0.71 0.00 0.00 52.55 54.58 3adn s ASP 13 Cb -0.18 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.53 3adn s ASP 13 CO 0.18 -0.00 0.00 0.00 0.21 0.00 0.00 175.17 175.56 3adn n GLN 14 N 0.18 0.00 -3.53 8.23 1.13 -1.26 -4.94 117.38 117.18 3adn n GLN 14 Ca -0.02 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.92 3adn n GLN 14 Cb 0.52 -0.24 -0.04 0.00 0.11 0.00 0.00 30.24 30.58 3adn n GLN 14 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3adn s PHE 15 N -1.83 -0.45 0.00 1.08 -0.71 -1.26 -5.19 117.98 109.62 3adn s PHE 15 Ca 0.00 0.65 0.00 0.00 -1.04 0.00 0.00 56.93 56.54 3adn s PHE 15 Cb 0.00 0.47 0.00 0.00 -1.21 0.00 0.00 43.02 42.28 3adn s PHE 15 CO 0.00 -0.49 0.00 0.41 -1.34 0.00 0.00 175.22 173.80 3adn n GLY 16 N 0.49 1.53 3.23 1.99 0.00 -1.26 -4.48 105.19 106.68 3adn n GLY 16 Ca -0.13 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 3adn n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3adn s GLN 17 N -0.69 1.40 0.04 1.61 -2.07 -1.26 -4.99 119.66 113.70 3adn s GLN 17 Ca 0.00 -0.85 0.05 0.00 -1.82 0.00 0.00 55.36 52.74 3adn s GLN 17 Cb 0.00 -1.46 -0.02 0.00 -1.09 0.00 0.00 33.01 30.44 3adn s GLN 17 CO 0.00 0.38 -0.14 1.52 -1.32 0.00 0.00 175.29 175.73 3adn s TYR 18 N -0.70 1.24 0.11 9.60 1.13 -1.26 -1.22 117.35 126.25 3adn s TYR 18 Ca 0.07 -0.36 0.10 0.00 -1.41 0.00 0.00 57.07 55.47 3adn s TYR 18 Cb -0.08 -0.74 -0.04 0.00 -1.10 0.00 0.00 41.96 40.00 3adn s TYR 18 CO 0.01 0.04 -0.26 -0.06 -2.51 0.00 0.00 175.55 172.77 3adn s PHE 19 N -0.88 2.22 -0.08 -3.49 0.08 0.15 -4.93 117.98 111.04 3adn s PHE 19 Ca 0.01 -0.39 -0.25 0.00 0.12 0.00 0.00 56.93 56.43 3adn s PHE 19 Cb -0.08 -1.22 -0.03 0.00 -0.57 0.00 0.00 43.02 41.12 3adn s PHE 19 CO 0.01 0.28 0.78 0.00 -0.10 0.00 0.00 175.22 176.19 3adn s ALA 20 N -1.03 3.35 -0.33 5.36 0.00 -1.26 -1.30 121.76 126.54 3adn s ALA 20 Ca 0.12 0.17 -0.24 0.00 0.00 0.00 0.00 51.96 52.01 3adn s ALA 20 Cb -0.10 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 19.94 3adn s ALA 20 CO 0.05 -0.26 0.83 0.08 0.00 0.00 0.00 175.76 176.46 3adn s VAL 21 N 1.18 4.72 -0.49 0.00 1.01 -1.26 -4.47 120.40 121.08 3adn s VAL 21 Ca 0.40 1.14 0.23 0.00 0.00 0.00 0.00 61.98 63.75 3adn s VAL 21 Cb -0.18 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 31.88 3adn s VAL 21 CO 0.18 -0.37 1.00 0.47 0.00 0.00 0.00 175.10 176.39 3adn n ASP 22 N 6.41 0.60 0.00 3.32 8.00 -0.60 -4.99 116.55 129.30 3adn n ASP 22 Ca 0.05 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3adn n ASP 22 Cb 0.48 0.79 0.00 0.00 -0.02 0.00 0.00 41.12 42.37 3adn n ASP 22 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3adn n ASN 23 N -2.13 0.00 -4.41 -2.24 2.85 -1.24 -4.96 115.26 103.13 3adn n ASN 23 Ca 0.01 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.12 3adn n ASN 23 Cb 0.47 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.36 3adn n ASN 23 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3adn s VAL 24 N -1.47 4.09 -0.18 3.44 1.01 -1.26 -0.55 120.40 125.49 3adn s VAL 24 Ca 0.00 -0.25 0.17 0.00 0.00 0.00 0.00 61.98 61.90 3adn s VAL 24 Cb 0.00 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.49 3adn s VAL 24 CO 0.00 0.35 1.24 -0.07 0.00 0.00 0.00 175.10 176.63 3adn h LEU 25 N 8.21 0.00 -7.00 3.92 -0.00 -0.10 -3.48 115.31 116.87 3adn h LEU 25 Ca -0.39 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.55 3adn h LEU 25 Cb 1.17 0.00 -0.21 0.00 -0.00 0.00 0.00 40.66 41.62 3adn h LEU 25 CO 0.58 0.44 0.49 -0.47 -0.00 0.00 0.00 178.44 179.48 3adn s TYR 26 N -3.00 -0.41 -0.30 1.13 5.04 -0.69 -4.97 117.35 114.15 3adn s TYR 26 Ca 0.02 0.64 -0.06 0.00 -2.44 0.00 0.00 57.07 55.22 3adn s TYR 26 Cb 0.08 0.46 0.19 0.00 0.35 0.00 0.00 41.96 43.04 3adn s TYR 26 CO 0.76 -0.41 0.90 -1.58 -1.34 0.00 0.00 175.55 173.88 3adn s HIS 27 N -1.45 -0.90 -0.26 4.97 5.65 -1.25 -0.26 115.29 121.79 3adn s HIS 27 Ca -0.02 0.54 0.01 0.00 0.25 0.00 0.00 55.06 55.84 3adn s HIS 27 Cb -0.00 0.16 0.04 0.00 -1.18 0.00 0.00 32.58 31.60 3adn s HIS 27 CO 0.01 -0.53 -0.08 -2.00 -0.65 0.00 0.00 174.74 171.49 3adn s GLU 28 N 2.92 2.52 -0.37 2.88 2.12 -0.40 -4.97 118.70 123.40 3adn s GLU 28 Ca 0.22 -1.18 -0.13 0.00 0.36 0.00 0.00 54.97 54.23 3adn s GLU 28 Cb -0.05 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.40 3adn s GLU 28 CO -0.23 -0.50 0.25 0.21 -0.54 0.00 0.00 175.26 174.45 3adn s LYS 29 N 1.21 3.23 -0.10 4.30 2.20 -1.26 -2.11 119.74 127.22 3adn s LYS 29 Ca -0.04 -0.83 0.15 0.00 -0.36 0.00 0.00 55.97 54.89 3adn s LYS 29 Cb -0.18 -3.85 0.53 0.00 -1.51 0.00 0.00 37.83 32.82 3adn s LYS 29 CO -0.05 -0.58 1.45 2.41 -0.36 0.00 0.00 175.35 178.22 3adn n THR 30 N 5.11 1.71 0.00 3.43 -1.04 0.91 -4.95 114.28 119.45 3adn n THR 30 Ca -0.12 -1.34 0.00 0.00 -2.04 0.00 0.00 64.05 60.55 3adn n THR 30 Cb 0.48 0.13 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 3adn n THR 30 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3adn n ASP 31 N 0.43 0.00 -0.03 8.00 -0.08 -1.26 -4.19 116.55 119.42 3adn n ASP 31 Ca 0.20 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.49 3adn n ASP 31 Cb 0.74 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.20 3adn n ASP 31 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3adn n HIS 32 N 0.00 0.00 -3.62 -0.67 -0.00 -1.26 -4.94 115.22 104.72 3adn n HIS 32 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 3adn n HIS 32 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.83 3adn n HIS 32 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 3adn s GLN 33 N -1.00 0.22 -0.74 -0.41 -1.52 -1.26 -5.06 119.66 109.90 3adn s GLN 33 Ca 0.02 -0.27 -0.03 0.00 -1.95 0.00 0.00 55.36 53.12 3adn s GLN 33 Cb 0.02 -1.76 0.19 0.00 -0.22 0.00 0.00 33.01 31.24 3adn s GLN 33 CO 0.09 -0.75 0.59 0.34 -0.25 0.00 0.00 175.29 175.30 3adn s ASP 34 N 2.06 5.57 -0.38 5.90 3.68 -1.26 -0.06 116.67 132.18 3adn s ASP 34 Ca 0.03 -3.21 -0.07 0.00 2.13 0.00 0.00 52.55 51.43 3adn s ASP 34 Cb -0.16 -1.89 0.06 0.00 -1.45 0.00 0.00 42.92 39.48 3adn s ASP 34 CO -0.15 -0.30 0.18 -0.22 0.13 0.00 0.00 175.17 174.81 3adn s LEU 35 N -0.58 4.74 0.19 -1.34 0.20 -0.90 -1.25 118.68 119.74 3adn s LEU 35 Ca 0.21 -1.34 0.09 0.00 0.69 0.00 0.00 54.13 53.78 3adn s LEU 35 Cb -0.15 -1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 43.65 3adn s LEU 35 CO -0.07 -0.43 -0.11 -0.51 -0.29 0.00 0.00 176.35 174.94 3adn s ILE 36 N 1.40 3.10 -0.21 6.68 2.07 -1.01 -1.27 121.20 131.96 3adn s ILE 36 Ca 0.01 -1.72 -0.04 0.00 -1.41 0.00 0.00 60.65 57.49 3adn s ILE 36 Cb -0.21 -2.54 0.10 0.00 0.13 0.00 0.00 42.46 39.93 3adn s ILE 36 CO 0.02 -0.13 0.22 -0.63 -1.91 0.00 0.00 174.94 172.52 3adn s ILE 37 N -1.75 -0.32 0.39 2.00 1.01 0.64 -1.66 121.20 121.52 3adn s ILE 37 Ca 0.25 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.77 3adn s ILE 37 Cb -0.08 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 3adn s ILE 37 CO 0.15 -0.24 0.06 0.72 0.00 0.00 0.00 174.94 175.62 3adn s PHE 38 N 2.32 2.00 -0.11 3.97 -0.71 -0.94 0.67 117.98 125.18 3adn s PHE 38 Ca 0.07 -0.99 0.00 0.00 -1.04 0.00 0.00 56.93 54.97 3adn s PHE 38 Cb -0.16 -1.40 -0.02 0.00 -1.21 0.00 0.00 43.02 40.24 3adn s PHE 38 CO -0.14 0.05 -0.12 -1.21 -1.34 0.00 0.00 175.22 172.45 3adn s GLU 39 N -3.81 3.22 0.28 1.99 2.02 0.29 0.29 118.70 122.98 3adn s GLU 39 Ca 0.28 -0.67 0.09 0.00 0.02 0.00 0.00 54.97 54.69 3adn s GLU 39 Cb 0.06 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 3adn s GLU 39 CO 0.14 0.31 0.02 1.21 0.02 0.00 0.00 175.26 176.96 3adn s ASN 40 N 0.10 4.58 0.00 -0.19 3.04 -1.26 -1.55 114.94 119.67 3adn s ASN 40 Ca -0.06 -0.66 -0.19 0.00 0.04 0.00 0.00 52.86 51.99 3adn s ASN 40 Cb -0.15 -0.84 -0.30 0.00 -1.54 0.00 0.00 41.25 38.43 3adn s ASN 40 CO 0.04 -0.05 1.02 0.00 -3.04 0.00 0.00 177.10 175.07 3adn h ALA 41 N 1.82 -0.04 0.00 1.71 0.00 -1.99 -1.61 119.26 119.15 3adn h ALA 41 Ca -0.44 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.76 3adn h ALA 41 Cb 1.25 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3adn h ALA 41 CO 0.61 0.50 -0.63 0.00 0.00 0.00 0.00 179.25 179.74 3adn h ALA 42 N 0.20 0.62 0.00 0.00 0.00 -1.97 -3.40 119.26 114.71 3adn h ALA 42 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3adn h ALA 42 Cb 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3adn h ALA 42 CO 0.19 0.00 -0.67 1.19 0.00 0.00 0.00 179.25 179.96 3adn n PHE 43 N -2.31 0.00 -2.31 0.00 3.72 -1.26 -5.06 117.46 110.24 3adn n PHE 43 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3adn n PHE 43 Cb 0.47 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 3adn n PHE 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3adn n GLY 44 N 1.86 -5.20 2.80 1.37 0.00 -0.61 -4.19 105.19 101.22 3adn n GLY 44 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 3adn n GLY 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3adn n ARG 45 N 1.88 -3.03 -3.85 1.61 3.00 -1.17 -3.12 116.66 111.98 3adn n ARG 45 Ca 0.00 2.50 -0.36 0.00 -0.00 0.00 0.00 57.85 59.99 3adn n ARG 45 Cb 0.00 -4.99 -0.12 0.00 0.00 0.00 0.00 32.46 27.35 3adn n ARG 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3adn s VAL 46 N -1.73 4.43 -0.28 5.15 1.01 0.15 -3.31 120.40 125.81 3adn s VAL 46 Ca 0.05 -0.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 3adn s VAL 46 Cb -0.01 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 3adn s VAL 46 CO 0.72 0.37 0.13 -0.32 0.00 0.00 0.00 175.10 176.00 3adn s MET 47 N 1.27 3.57 0.30 2.72 1.75 -1.20 -2.21 119.30 125.50 3adn s MET 47 Ca 0.05 -0.55 0.11 0.00 -1.25 0.00 0.00 55.69 54.04 3adn s MET 47 Cb -0.15 -3.51 -0.05 0.00 2.84 0.00 0.00 34.83 33.96 3adn s MET 47 CO 0.03 -0.29 -0.12 0.00 -0.65 0.00 0.00 175.02 173.99 3adn s ALA 48 N 1.65 2.92 -0.27 4.11 0.00 -0.66 -1.04 121.76 128.46 3adn s ALA 48 Ca 0.06 -1.91 -0.01 0.00 0.00 0.00 0.00 51.96 50.10 3adn s ALA 48 Cb -0.16 -0.30 0.14 0.00 0.00 0.00 0.00 23.12 22.80 3adn s ALA 48 CO 0.06 0.20 0.37 -1.17 0.00 0.00 0.00 175.76 175.23 3adn s LEU 49 N -3.58 -0.60 -0.75 0.00 2.96 -0.31 -2.41 118.68 113.99 3adn s LEU 49 Ca 0.31 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 3adn s LEU 49 Cb -0.03 0.97 0.00 0.00 0.50 0.00 0.00 46.19 47.64 3adn s LEU 49 CO 0.17 -0.34 0.65 0.47 -1.32 0.00 0.00 176.35 175.98 3adn n ASP 50 N 5.35 -4.00 -0.33 3.68 8.00 -0.38 -2.98 116.55 125.89 3adn n ASP 50 Ca -0.02 -0.32 -0.04 0.00 0.71 0.00 0.00 54.79 55.12 3adn n ASP 50 Cb 0.49 -3.09 -0.02 0.00 -0.02 0.00 0.00 41.12 38.49 3adn n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3adn n GLY 51 N -1.30 0.70 2.95 0.44 0.00 -1.26 -4.67 105.19 102.05 3adn n GLY 51 Ca -0.03 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 3adn n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3adn s VAL 52 N -2.08 1.26 0.03 1.61 1.01 -1.16 0.41 120.40 121.49 3adn s VAL 52 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 3adn s VAL 52 Cb 0.00 -1.23 -0.08 0.00 0.00 0.00 0.00 36.38 35.07 3adn s VAL 52 CO 0.00 0.40 1.69 -0.69 0.00 0.00 0.00 175.10 176.50 3adn s VAL 53 N 1.61 3.19 0.00 2.92 1.01 -1.26 -1.16 120.40 126.71 3adn s VAL 53 Ca 0.05 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.53 3adn s VAL 53 Cb -0.13 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3adn s VAL 53 CO -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 175.10 174.99 3adn n GLN 54 N 6.21 0.00 -3.73 2.72 1.13 -0.21 -4.96 117.38 118.54 3adn n GLN 54 Ca 0.17 0.20 -0.17 0.00 -1.94 0.00 0.00 57.00 55.25 3adn n GLN 54 Cb 0.41 -0.64 -0.05 0.00 0.11 0.00 0.00 30.24 30.07 3adn n GLN 54 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3adn n THR 55 N -1.45 0.00 -3.34 5.09 -2.24 -1.24 -5.05 114.28 106.06 3adn n THR 55 Ca 0.00 -1.76 0.02 0.00 -2.27 0.00 0.00 64.05 60.05 3adn n THR 55 Cb 0.00 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 68.91 3adn n THR 55 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3adn s THR 56 N -2.76 -0.81 0.72 4.28 2.01 -1.26 -3.21 115.64 114.61 3adn s THR 56 Ca 0.19 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 3adn s THR 56 Cb 0.01 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.53 3adn s THR 56 CO 0.14 0.00 1.02 -1.84 -0.69 0.00 0.00 174.62 173.25 3adn n GLU 57 N 5.36 0.56 -3.12 4.92 0.28 -1.18 -1.13 120.64 126.33 3adn n GLU 57 Ca -0.06 0.25 -0.14 0.00 -0.16 0.00 0.00 57.16 57.04 3adn n GLU 57 Cb 0.51 -2.27 0.05 0.00 1.43 0.00 0.00 31.44 31.16 3adn n GLU 57 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 3adn n ARG 58 N -1.95 -4.93 0.00 3.44 0.63 -1.26 -4.40 116.66 108.19 3adn n ARG 58 Ca 0.13 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 3adn n ARG 58 Cb 0.49 -4.71 0.00 0.00 0.45 0.00 0.00 32.46 28.69 3adn n ARG 58 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3adn n ASP 59 N -1.77 0.00 -0.07 6.15 2.03 -1.06 -4.89 116.55 116.95 3adn n ASP 59 Ca -0.06 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.42 3adn n ASP 59 Cb 0.56 0.00 0.59 0.00 -0.72 0.00 0.00 41.12 41.55 3adn n ASP 59 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3adn h GLU 60 N 0.00 0.22 -0.87 -0.67 4.22 -1.39 -2.76 114.58 113.33 3adn h GLU 60 Ca 0.00 -0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.52 3adn h GLU 60 Cb 0.00 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.13 3adn h GLU 60 CO 0.00 0.14 0.52 0.27 -2.18 0.00 0.00 179.01 177.76 3adn h PHE 61 N 0.22 0.94 -0.00 0.92 -0.00 -1.94 -1.67 116.94 115.41 3adn h PHE 61 Ca 0.30 0.03 0.02 0.00 -0.00 0.00 0.00 57.97 58.32 3adn h PHE 61 Cb 0.86 -0.29 -0.03 0.00 -0.00 0.00 0.00 35.95 36.48 3adn h PHE 61 CO -0.00 0.41 -0.14 0.82 -0.00 0.00 0.00 178.31 179.40 3adn h ILE 62 N 0.88 0.66 0.18 0.88 2.04 -1.89 0.36 117.51 120.61 3adn h ILE 62 Ca 0.41 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.27 3adn h ILE 62 Cb 0.33 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3adn h ILE 62 CO -0.23 0.00 -0.43 0.22 0.00 0.00 0.00 178.15 177.71 3adn h TYR 63 N -0.23 -1.22 -0.57 1.37 3.20 -1.50 -2.72 116.97 115.31 3adn h TYR 63 Ca 0.05 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.87 3adn h TYR 63 Cb 0.29 0.51 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 3adn h TYR 63 CO -0.19 -0.50 0.04 0.45 -1.64 0.00 0.00 178.16 176.31 3adn h HIS 64 N -0.67 1.01 -0.78 -3.82 3.86 -1.22 -0.10 115.15 113.43 3adn h HIS 64 Ca -0.02 -0.15 0.01 0.00 -1.16 0.00 0.00 60.37 59.06 3adn h HIS 64 Cb 0.64 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 3adn h HIS 64 CO -0.37 0.89 0.51 0.93 0.86 0.00 0.00 177.93 180.75 3adn h GLU 65 N 0.88 1.01 0.00 2.45 5.08 -0.26 -1.20 114.58 122.54 3adn h GLU 65 Ca 0.17 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 3adn h GLU 65 Cb 0.46 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3adn h GLU 65 CO 0.02 0.67 -0.82 0.52 -1.00 0.00 0.00 179.01 178.40 3adn h MET 66 N 1.04 0.00 0.00 2.33 2.86 -1.34 -1.71 114.93 118.12 3adn h MET 66 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3adn h MET 66 Cb -0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.56 3adn h MET 66 CO -0.07 0.82 0.00 -1.33 1.06 0.00 0.00 176.91 177.39 3adn n MET 67 N -3.51 0.21 0.00 1.72 2.81 -0.06 -4.08 117.12 114.21 3adn n MET 67 Ca -0.00 0.32 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 3adn n MET 67 Cb 0.80 -1.82 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 3adn n MET 67 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3adn n THR 68 N -2.20 0.00 0.12 2.03 5.66 -0.51 -4.77 114.28 114.60 3adn n THR 68 Ca 0.04 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.05 3adn n THR 68 Cb 0.31 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 68.55 3adn n THR 68 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 3adn h HIS 69 N 0.00 0.00 -0.36 1.09 -0.00 -1.51 -2.22 115.15 112.15 3adn h HIS 69 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 3adn h HIS 69 Cb 0.95 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.35 3adn h HIS 69 CO 0.00 0.55 0.01 0.28 -0.00 0.00 0.00 177.93 178.77 3adn h VAL 70 N 0.00 1.26 0.13 2.45 2.07 -1.75 -1.53 116.25 118.88 3adn h VAL 70 Ca -0.02 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 3adn h VAL 70 Cb 1.44 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3adn h VAL 70 CO 0.07 0.32 -0.06 -0.65 0.02 0.00 0.00 177.57 177.27 3adn h PRO 71 N 0.46 -0.17 -0.02 1.57 0.11 -1.83 -2.06 132.00 130.05 3adn h PRO 71 Ca 0.10 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 3adn h PRO 71 Cb 0.45 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3adn h PRO 71 CO 0.02 0.22 -0.23 -0.07 -0.21 0.00 0.00 178.00 177.73 3adn h LEU 72 N -0.60 0.03 0.16 2.35 4.07 -1.44 0.45 115.31 120.33 3adn h LEU 72 Ca -0.02 -0.01 -0.35 0.00 0.08 0.00 0.00 57.88 57.58 3adn h LEU 72 Cb 0.47 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.20 3adn h LEU 72 CO 0.03 0.26 -1.82 -0.07 -1.08 0.00 0.00 178.44 175.76 3adn h LEU 73 N 0.03 0.54 -0.01 1.67 4.07 -1.37 -3.33 115.31 116.90 3adn h LEU 73 Ca 0.00 -0.91 -0.00 0.00 0.08 0.00 0.00 57.88 57.06 3adn h LEU 73 Cb 0.42 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 3adn h LEU 73 CO 0.03 1.78 0.00 0.00 -1.08 0.00 0.00 178.44 179.17 3adn h ALA 74 N 0.14 0.02 -2.52 1.53 0.00 -1.30 -3.40 119.26 113.72 3adn h ALA 74 Ca -0.36 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 53.88 3adn h ALA 74 Cb 2.08 -0.00 0.07 0.00 0.00 0.00 0.00 17.79 19.93 3adn h ALA 74 CO 0.15 -0.37 0.84 1.58 0.00 0.00 0.00 179.25 181.45 3adn n HIS 75 N -4.97 2.54 0.00 0.00 -0.00 0.16 -4.90 115.22 108.04 3adn n HIS 75 Ca -0.07 0.24 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 3adn n HIS 75 Cb 0.13 -2.57 0.00 0.00 -0.00 0.00 0.00 29.99 27.55 3adn n HIS 75 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3adn n GLY 76 N 2.94 -2.63 2.73 1.57 0.00 -1.26 -4.53 105.19 104.01 3adn n GLY 76 Ca 0.13 0.33 -0.30 0.00 0.00 0.00 0.00 46.02 46.19 3adn n GLY 76 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3adn s HIS 77 N -0.68 2.05 0.12 1.61 0.09 -1.26 -4.87 115.29 112.34 3adn s HIS 77 Ca 0.00 -2.47 -0.30 0.00 -0.00 0.00 0.00 55.06 52.29 3adn s HIS 77 Cb 0.00 -1.94 -0.06 0.00 -0.00 0.00 0.00 32.58 30.58 3adn s HIS 77 CO 0.00 -0.78 0.98 0.00 -0.00 0.00 0.00 174.74 174.94 3adn s ALA 78 N 0.33 3.26 0.00 -1.40 0.00 -1.26 -4.93 121.76 117.75 3adn s ALA 78 Ca 0.17 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.74 3adn s ALA 78 Cb -0.25 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3adn s ALA 78 CO 0.00 -0.05 0.00 1.63 0.00 0.00 0.00 175.76 177.35 3adn n LYS 79 N 2.76 0.00 -3.65 0.00 5.02 -1.26 -4.06 118.16 116.97 3adn n LYS 79 Ca 0.02 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.92 3adn n LYS 79 Cb 0.49 -0.62 -0.12 0.00 -0.02 0.00 0.00 35.03 34.77 3adn n LYS 79 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3adn s HIS 80 N -2.00 3.23 0.02 2.13 3.76 -1.26 -1.14 115.29 120.03 3adn s HIS 80 Ca 0.00 -0.98 0.02 0.00 -0.15 0.00 0.00 55.06 53.95 3adn s HIS 80 Cb 0.00 -2.38 -0.04 0.00 1.11 0.00 0.00 32.58 31.27 3adn s HIS 80 CO 0.00 -0.62 0.03 0.08 -0.85 0.00 0.00 174.74 173.38 3adn s VAL 81 N 1.53 4.35 -0.02 -0.90 1.01 0.35 -1.00 120.40 125.72 3adn s VAL 81 Ca 0.02 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3adn s VAL 81 Cb -0.19 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 3adn s VAL 81 CO 0.06 0.30 -0.19 -0.22 0.00 0.00 0.00 175.10 175.05 3adn s LEU 82 N -1.83 2.00 -0.22 3.92 1.98 -0.29 -0.27 118.68 123.98 3adn s LEU 82 Ca 0.23 -0.35 0.01 0.00 -2.89 0.00 0.00 54.13 51.12 3adn s LEU 82 Cb -0.12 -1.00 0.05 0.00 0.66 0.00 0.00 46.19 45.79 3adn s LEU 82 CO 0.14 0.21 -0.06 -0.63 -1.89 0.00 0.00 176.35 174.12 3adn s ILE 83 N -0.29 1.49 -0.68 6.68 1.01 -0.26 -1.43 121.20 127.72 3adn s ILE 83 Ca 0.04 -1.09 -0.18 0.00 0.00 0.00 0.00 60.65 59.42 3adn s ILE 83 Cb -0.09 -1.70 0.13 0.00 0.01 0.00 0.00 42.46 40.81 3adn s ILE 83 CO 0.00 -0.01 0.77 -0.63 0.00 0.00 0.00 174.94 175.07 3adn s ILE 84 N 1.43 4.96 0.00 2.92 1.01 0.30 -0.71 121.20 131.12 3adn s ILE 84 Ca -0.04 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.25 3adn s ILE 84 Cb -0.18 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 37.77 3adn s ILE 84 CO -0.07 -1.16 0.00 0.61 0.00 0.00 0.00 174.94 174.33 3adn n GLY 85 N 5.09 -1.25 2.72 6.18 0.00 -0.87 -0.12 105.19 116.94 3adn n GLY 85 Ca -0.01 -2.08 -0.02 0.00 0.00 0.00 0.00 46.02 43.91 3adn n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3adn n GLY 86 N 0.00 -4.24 0.06 -0.02 0.00 -1.26 -4.73 105.19 95.00 3adn n GLY 86 Ca 0.00 0.89 0.03 0.00 0.00 0.00 0.00 46.02 46.95 3adn n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3adn n GLY 87 N 1.16 -1.09 0.57 -0.02 0.00 -1.26 -4.26 105.19 100.29 3adn n GLY 87 Ca -0.15 -0.36 0.41 0.00 0.00 0.00 0.00 46.02 45.92 3adn n GLY 87 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3adn h ASP 88 N 0.00 0.08 0.00 1.61 -0.00 -1.92 -3.44 116.42 112.76 3adn h ASP 88 Ca -0.18 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.88 3adn h ASP 88 Cb 1.45 0.02 0.00 0.00 -0.00 0.00 0.00 39.33 40.80 3adn h ASP 88 CO 0.02 -0.03 0.00 0.61 -0.00 0.00 0.00 179.24 179.84 3adn n GLY 89 N -1.75 1.21 0.11 7.15 0.00 -1.26 -2.42 105.19 108.23 3adn n GLY 89 Ca 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.24 3adn n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3adn h ALA 90 N 0.00 0.21 -0.90 4.61 0.00 -1.85 -1.44 119.26 119.89 3adn h ALA 90 Ca 0.00 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3adn h ALA 90 Cb 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 3adn h ALA 90 CO 0.00 -0.11 0.58 1.98 0.00 0.00 0.00 179.25 181.70 3adn h MET 91 N 0.03 0.87 0.49 0.00 4.05 -1.91 -3.04 114.93 115.42 3adn h MET 91 Ca 0.05 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 3adn h MET 91 Cb 0.33 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3adn h MET 91 CO 0.01 0.57 -0.24 1.25 0.23 0.00 0.00 176.91 178.73 3adn h LEU 92 N 0.89 -0.56 -0.88 3.39 5.85 -1.80 -3.05 115.31 119.15 3adn h LEU 92 Ca 0.42 0.02 0.22 0.00 0.84 0.00 0.00 57.88 59.38 3adn h LEU 92 Cb 0.42 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.46 3adn h LEU 92 CO -0.18 -0.35 0.35 0.08 -0.34 0.00 0.00 178.44 178.00 3adn h ARG 93 N -0.76 0.35 -0.13 1.25 0.11 -1.21 0.67 114.38 114.66 3adn h ARG 93 Ca -0.07 -0.02 0.03 0.00 0.10 0.00 0.00 59.98 60.02 3adn h ARG 93 Cb 0.50 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.48 3adn h ARG 93 CO 0.11 0.23 -0.03 0.93 0.10 0.00 0.00 179.97 181.31 3adn h GLU 94 N 0.36 0.00 -0.20 0.08 4.39 -1.60 0.21 114.58 117.82 3adn h GLU 94 Ca 0.55 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 60.30 3adn h GLU 94 Cb 1.04 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 3adn h GLU 94 CO -0.55 0.00 0.20 0.28 -1.16 0.00 0.00 179.01 177.78 3adn h VAL 95 N 0.00 0.53 0.00 3.13 2.07 -0.80 -0.68 116.25 120.49 3adn h VAL 95 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3adn h VAL 95 Cb 0.09 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3adn h VAL 95 CO -0.13 0.00 0.00 0.41 0.02 0.00 0.00 177.57 177.87 3adn n THR 96 N -3.90 0.47 0.69 2.57 -1.04 0.73 -2.59 114.28 111.21 3adn n THR 96 Ca 0.02 0.12 0.12 0.00 -2.04 0.00 0.00 64.05 62.27 3adn n THR 96 Cb 0.33 -0.78 0.28 0.00 -1.82 0.00 0.00 70.33 68.34 3adn n THR 96 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3adn n ARG 97 N -1.36 0.21 -2.96 -2.82 1.74 -0.26 -4.65 116.66 106.55 3adn n ARG 97 Ca 0.08 0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.82 3adn n ARG 97 Cb 0.19 -1.66 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 3adn n ARG 97 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3adn s HIS 98 N -3.11 2.90 0.35 -1.55 3.76 -1.07 -4.89 115.29 111.68 3adn s HIS 98 Ca 0.09 -0.17 0.06 0.00 -0.15 0.00 0.00 55.06 54.89 3adn s HIS 98 Cb 0.14 -3.85 0.66 0.00 1.11 0.00 0.00 32.58 30.64 3adn s HIS 98 CO 0.67 -1.21 1.88 0.87 -0.85 0.00 0.00 174.74 176.10 3adn h LYS 99 N 9.17 0.42 0.00 1.40 1.57 -1.88 -2.83 116.57 124.43 3adn h LYS 99 Ca -0.26 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 3adn h LYS 99 Cb 1.08 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 3adn h LYS 99 CO 1.03 0.50 -0.09 -0.91 -0.57 0.00 0.00 179.45 179.41 3adn h ASN 100 N 0.40 0.00 -2.81 0.86 2.35 -1.90 -3.41 115.58 111.07 3adn h ASN 100 Ca 0.08 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.26 3adn h ASN 100 Cb 0.37 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 3adn h ASN 100 CO 0.02 0.09 1.20 -0.69 -1.65 0.00 0.00 177.43 176.41 3adn s VAL 101 N -4.52 3.60 -0.36 2.81 1.01 -1.07 -4.67 120.40 117.20 3adn s VAL 101 Ca -0.04 0.63 0.22 0.00 0.00 0.00 0.00 61.98 62.79 3adn s VAL 101 Cb 0.15 -3.76 -0.17 0.00 0.00 0.00 0.00 36.38 32.59 3adn s VAL 101 CO 0.61 -0.45 0.84 -1.84 0.00 0.00 0.00 175.10 174.26 3adn n GLU 102 N 8.20 0.46 -3.62 2.72 0.28 -0.30 -4.88 120.64 123.50 3adn n GLU 102 Ca 0.21 -0.04 -0.22 0.00 -0.16 0.00 0.00 57.16 56.95 3adn n GLU 102 Cb 0.47 -1.61 -0.16 0.00 1.43 0.00 0.00 31.44 31.56 3adn n GLU 102 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3adn s SER 103 N -4.38 1.64 -0.15 -1.84 0.15 -0.69 -4.71 113.70 103.72 3adn s SER 103 Ca -0.01 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.42 3adn s SER 103 Cb 0.13 -0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 64.40 3adn s SER 103 CO 0.84 -0.30 -0.16 -0.63 1.20 0.00 0.00 173.24 174.19 3adn s ILE 104 N 2.20 2.64 -0.18 6.45 1.09 -1.11 0.13 121.20 132.43 3adn s ILE 104 Ca 0.04 -0.78 0.01 0.00 -1.10 0.00 0.00 60.65 58.81 3adn s ILE 104 Cb -0.14 -2.11 0.04 0.00 -1.06 0.00 0.00 42.46 39.19 3adn s ILE 104 CO -0.07 0.52 -0.11 -0.89 -0.10 0.00 0.00 174.94 174.29 3adn s THR 105 N 0.72 1.56 -0.20 2.92 2.01 0.63 -2.69 115.64 120.60 3adn s THR 105 Ca -0.07 -0.83 -0.13 0.00 0.31 0.00 0.00 61.69 60.97 3adn s THR 105 Cb -0.16 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 3adn s THR 105 CO 0.01 0.27 0.25 -0.32 -0.69 0.00 0.00 174.62 174.14 3adn s MET 106 N 1.45 4.18 -0.28 4.92 1.75 -0.98 -1.10 119.30 129.24 3adn s MET 106 Ca 0.01 -0.05 -0.02 0.00 -1.25 0.00 0.00 55.69 54.38 3adn s MET 106 Cb -0.15 -3.48 0.04 0.00 2.84 0.00 0.00 34.83 34.08 3adn s MET 106 CO -0.09 0.14 -0.01 0.08 -0.65 0.00 0.00 175.02 174.49 3adn s VAL 107 N 0.78 3.04 0.14 10.11 1.01 0.11 -1.54 120.40 134.05 3adn s VAL 107 Ca 0.13 -1.19 0.07 0.00 0.00 0.00 0.00 61.98 60.99 3adn s VAL 107 Cb -0.13 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3adn s VAL 107 CO 0.04 0.02 -0.16 -0.70 0.00 0.00 0.00 175.10 174.30 3adn s GLU 108 N 1.30 1.12 -0.02 2.72 2.56 -0.78 -2.06 118.70 123.54 3adn s GLU 108 Ca -0.03 -1.30 -0.22 0.00 0.00 0.00 0.00 54.97 53.43 3adn s GLU 108 Cb -0.18 -1.09 -0.14 0.00 2.00 0.00 0.00 34.13 34.71 3adn s GLU 108 CO -0.02 0.22 0.97 0.82 -0.56 0.00 0.00 175.26 176.69 3adn h ILE 109 N 3.45 0.53 -3.00 -3.70 5.03 -1.95 -3.36 117.51 114.51 3adn h ILE 109 Ca -0.41 -0.75 -0.67 0.00 -0.12 0.00 0.00 64.86 62.91 3adn h ILE 109 Cb 1.20 0.83 -0.10 0.00 -3.03 0.00 0.00 36.82 35.71 3adn h ILE 109 CO 0.50 0.11 -0.55 -1.81 -0.68 0.00 0.00 178.15 175.72 3adn s ASP 110 N -5.12 5.82 0.00 1.72 -0.00 -1.26 -4.86 116.67 112.98 3adn s ASP 110 Ca -0.12 0.27 0.28 0.00 -0.00 0.00 0.00 52.55 52.97 3adn s ASP 110 Cb 0.01 -1.75 1.01 0.00 -0.00 0.00 0.00 42.92 42.19 3adn s ASP 110 CO 0.44 0.35 1.72 0.00 -0.00 0.00 0.00 175.17 177.69 3adn n ALA 111 N 1.75 2.89 0.03 5.23 0.00 -1.26 -3.77 120.51 125.37 3adn n ALA 111 Ca -0.17 -0.34 -0.21 0.00 0.00 0.00 0.00 53.44 52.71 3adn n ALA 111 Cb 0.54 -1.23 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 3adn n ALA 111 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3adn h GLY 112 N 4.94 0.32 2.00 0.00 0.00 -1.99 -3.25 103.07 105.08 3adn h GLY 112 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 47.33 46.50 3adn h GLY 112 CO 0.00 0.71 -0.08 -0.24 0.00 0.00 0.00 176.54 176.93 3adn h VAL 113 N -0.26 1.00 -0.09 4.60 3.04 -1.99 0.22 116.25 122.77 3adn h VAL 113 Ca -0.28 -0.28 -0.22 0.00 -1.01 0.00 0.00 66.70 64.91 3adn h VAL 113 Cb 1.79 1.15 0.01 0.00 -2.01 0.00 0.00 31.29 32.23 3adn h VAL 113 CO 0.09 0.08 -0.83 -0.37 -1.01 0.00 0.00 177.57 175.53 3adn h VAL 114 N 0.00 1.32 0.00 1.51 -1.51 -1.70 -2.06 116.25 113.81 3adn h VAL 114 Ca -0.00 -2.13 -0.08 0.00 -1.23 0.00 0.00 66.70 63.26 3adn h VAL 114 Cb 0.15 2.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.43 3adn h VAL 114 CO 0.01 0.66 -0.40 0.77 -1.23 0.00 0.00 177.57 177.37 3adn h SER 115 N 0.41 0.00 -0.13 4.19 4.64 -1.42 -1.70 113.55 119.54 3adn h SER 115 Ca -0.06 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.18 3adn h SER 115 Cb 1.45 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.54 3adn h SER 115 CO 0.16 0.40 -0.21 0.15 -0.87 0.00 0.00 176.83 176.47 3adn h PHE 116 N 0.00 0.46 -0.34 4.77 3.57 -0.52 -3.15 116.94 121.73 3adn h PHE 116 Ca -0.00 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.29 3adn h PHE 116 Cb 1.14 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 3adn h PHE 116 CO 0.00 0.82 0.03 0.00 -2.23 0.00 0.00 178.31 176.93 3adn n ARG 118 N -4.55 0.00 -0.10 0.00 0.63 -0.64 0.31 116.66 112.31 3adn n ARG 118 Ca -0.02 0.35 -0.21 0.00 -0.92 0.00 0.00 57.85 57.04 3adn n ARG 118 Cb 0.25 -1.59 -0.07 0.00 0.45 0.00 0.00 32.46 31.50 3adn n ARG 118 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3adn n GLN 119 N -1.33 0.43 0.10 -0.14 7.27 -0.87 -4.33 117.38 118.51 3adn n GLN 119 Ca 0.00 0.19 0.12 0.00 0.07 0.00 0.00 57.00 57.38 3adn n GLN 119 Cb 0.09 -1.23 0.13 0.00 2.41 0.00 0.00 30.24 31.65 3adn n GLN 119 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 3adn h TYR 120 N -0.74 0.00 -2.06 3.69 0.05 -0.97 -3.37 116.97 113.57 3adn h TYR 120 Ca -0.50 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 57.76 3adn h TYR 120 Cb 1.43 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.76 3adn h TYR 120 CO -0.08 0.00 -1.06 1.28 -1.05 0.00 0.00 178.16 177.26 3adn n LEU 121 N -2.42 1.55 0.26 3.88 4.77 0.15 -4.90 117.00 120.29 3adn n LEU 121 Ca 0.02 -5.11 0.11 0.00 -0.03 0.00 0.00 56.01 51.01 3adn n LEU 121 Cb 0.48 0.41 0.73 0.00 -2.33 0.00 0.00 43.42 42.72 3adn n LEU 121 CO 0.37 2.26 1.01 1.55 -1.33 0.00 0.00 177.39 181.25 3adn h PRO 122 N 3.18 0.00 0.00 3.23 0.13 -1.73 -2.58 132.00 134.23 3adn h PRO 122 Ca 0.11 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.13 3adn h PRO 122 Cb 0.86 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 3adn h PRO 122 CO 0.57 0.09 -0.52 -0.91 -0.23 0.00 0.00 178.00 177.00 3adn h ASN 123 N 0.00 0.00 0.20 1.44 2.35 -1.90 -0.61 115.58 117.07 3adn h ASN 123 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3adn h ASN 123 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3adn h ASN 123 CO 0.01 0.52 -0.10 0.45 -1.65 0.00 0.00 177.43 176.66 3adn h HIS 124 N 0.00 -0.25 -0.38 1.19 3.86 -1.70 -3.20 115.15 114.67 3adn h HIS 124 Ca -0.01 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.28 3adn h HIS 124 Cb 1.00 0.08 -0.08 0.00 1.06 0.00 0.00 27.41 29.48 3adn h HIS 124 CO 0.00 0.12 -0.14 -0.97 0.86 0.00 0.00 177.93 177.81 3adn h ASN 125 N -0.70 -0.48 -2.95 2.45 -0.00 -1.46 -3.25 115.58 109.19 3adn h ASN 125 Ca -0.03 0.13 -0.29 0.00 -0.00 0.00 0.00 56.30 56.11 3adn h ASN 125 Cb 0.49 0.28 -0.04 0.00 -0.00 0.00 0.00 38.32 39.05 3adn h ASN 125 CO 0.05 -0.17 -0.34 0.00 -0.00 0.00 0.00 177.43 176.96 3adn n ALA 126 N -2.75 -0.59 -1.51 1.57 0.00 -0.24 -0.78 120.51 116.22 3adn n ALA 126 Ca 0.02 0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.52 3adn n ALA 126 Cb 0.24 -1.63 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 3adn n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3adn n GLY 127 N -0.69 0.75 0.12 0.00 0.00 -1.26 -4.91 105.19 99.20 3adn n GLY 127 Ca -0.17 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.36 3adn n GLY 127 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3adn n SER 128 N 0.55 0.71 0.11 1.61 2.88 0.04 -2.29 113.62 117.23 3adn n SER 128 Ca -0.09 0.63 0.12 0.00 -1.33 0.00 0.00 58.87 58.20 3adn n SER 128 Cb 0.37 -0.80 0.46 0.00 -0.75 0.00 0.00 64.21 63.49 3adn n SER 128 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3adn n TYR 129 N -2.24 0.73 1.68 0.66 4.01 -1.26 -2.15 117.16 118.59 3adn n TYR 129 Ca 0.03 0.27 0.08 0.00 -0.16 0.00 0.00 57.90 58.12 3adn n TYR 129 Cb 0.30 -0.94 0.37 0.00 -0.31 0.00 0.00 39.34 38.76 3adn n TYR 129 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3adn n ASP 130 N -2.15 0.63 -4.68 7.72 8.00 -0.97 -4.86 116.55 120.24 3adn n ASP 130 Ca 0.03 -1.66 -0.42 0.00 0.71 0.00 0.00 54.79 53.46 3adn n ASP 130 Cb 0.26 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 3adn n ASP 130 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3adn s ASP 131 N -1.42 7.13 0.42 -2.24 2.15 -0.91 -4.95 116.67 116.85 3adn s ASP 131 Ca 0.24 1.39 0.17 0.00 0.43 0.00 0.00 52.55 54.77 3adn s ASP 131 Cb 0.12 -2.51 1.06 0.00 -0.30 0.00 0.00 42.92 41.29 3adn s ASP 131 CO 0.18 -0.40 1.88 1.55 -0.17 0.00 0.00 175.17 178.21 3adn h PRO 132 N 7.15 0.41 0.00 4.34 0.13 -1.91 0.95 132.00 143.07 3adn h PRO 132 Ca -0.31 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3adn h PRO 132 Cb 1.15 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3adn h PRO 132 CO 0.84 0.27 0.00 0.00 -0.23 0.00 0.00 178.00 178.88 3adn h ARG 133 N 0.42 0.00 -6.65 0.86 3.08 -1.92 -3.45 114.38 106.72 3adn h ARG 133 Ca 0.44 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.98 3adn h ARG 133 Cb 1.05 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 3adn h ARG 133 CO -0.16 0.00 0.26 0.12 -1.07 0.00 0.00 179.97 179.12 3adn s PHE 134 N -3.34 3.91 -0.10 3.04 5.36 0.33 -2.74 117.98 124.43 3adn s PHE 134 Ca 0.05 1.75 -0.04 0.00 -0.96 0.00 0.00 56.93 57.73 3adn s PHE 134 Cb 0.09 -2.86 0.05 0.00 -0.34 0.00 0.00 43.02 39.97 3adn s PHE 134 CO 0.51 0.46 0.21 0.15 -1.46 0.00 0.00 175.22 175.08 3adn s LYS 135 N -1.29 0.09 0.37 10.12 1.02 -1.09 -4.94 119.74 124.02 3adn s LYS 135 Ca 0.40 0.63 -0.08 0.00 0.02 0.00 0.00 55.97 56.93 3adn s LYS 135 Cb -0.23 -0.16 -0.06 0.00 -0.52 0.00 0.00 37.83 36.86 3adn s LYS 135 CO 0.28 -0.28 0.70 -1.17 -0.92 0.00 0.00 175.35 173.96 3adn s LEU 136 N 2.21 3.89 -0.12 3.17 2.96 -1.26 -2.33 118.68 127.19 3adn s LEU 136 Ca 0.01 0.98 -0.07 0.00 -0.22 0.00 0.00 54.13 54.83 3adn s LEU 136 Cb -0.12 -3.84 0.05 0.00 0.50 0.00 0.00 46.19 42.77 3adn s LEU 136 CO -0.07 -0.35 0.29 -0.69 -1.32 0.00 0.00 176.35 174.21 3adn s VAL 137 N -2.31 -0.03 -0.75 1.68 1.01 -0.59 -4.94 120.40 114.47 3adn s VAL 137 Ca 0.48 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.44 3adn s VAL 137 Cb -0.10 -0.44 0.20 0.00 0.00 0.00 0.00 36.38 36.03 3adn s VAL 137 CO 0.32 0.05 0.69 -0.63 0.00 0.00 0.00 175.10 175.53 3adn s ILE 138 N 1.17 5.46 0.00 2.22 -1.09 -1.26 -1.87 121.20 125.83 3adn s ILE 138 Ca -0.08 -2.24 0.00 0.00 -2.23 0.00 0.00 60.65 56.10 3adn s ILE 138 Cb -0.09 -4.41 0.00 0.00 -1.58 0.00 0.00 42.46 36.38 3adn s ILE 138 CO -0.09 -0.98 0.00 0.52 -1.23 0.00 0.00 174.94 173.16 3adn n VAL 145 N 4.28 0.00 -4.86 2.92 0.31 -1.26 -4.94 118.33 114.79 3adn n VAL 145 Ca 0.07 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.15 3adn n VAL 145 Cb 0.45 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.23 3adn n VAL 145 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3adn s ASN 146 N 0.00 2.09 -0.42 4.52 2.47 -1.26 -5.07 114.94 117.27 3adn s ASN 146 Ca 0.00 -0.32 0.01 0.00 0.42 0.00 0.00 52.86 52.97 3adn s ASN 146 Cb 0.00 -0.24 0.24 0.00 -1.45 0.00 0.00 41.25 39.80 3adn s ASN 146 CO 0.00 0.22 1.01 0.00 -3.72 0.00 0.00 177.10 174.61 3adn n GLN 147 N 2.65 0.42 -0.31 0.43 -0.00 -1.26 -4.94 117.38 114.38 3adn n GLN 147 Ca -0.15 -1.30 -0.01 0.00 -0.00 0.00 0.00 57.00 55.54 3adn n GLN 147 Cb 0.54 -0.82 0.10 0.00 -0.00 0.00 0.00 30.24 30.06 3adn n GLN 147 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3adn n THR 148 N 1.97 1.13 -3.97 -0.39 -1.04 -1.26 -4.82 114.28 105.90 3adn n THR 148 Ca 0.08 -0.48 -0.32 0.00 -2.04 0.00 0.00 64.05 61.30 3adn n THR 148 Cb 0.65 -0.58 -0.00 0.00 -1.82 0.00 0.00 70.33 68.58 3adn n THR 148 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3adn n SER 149 N 0.12 -3.98 0.13 8.00 3.41 -1.26 -4.84 113.62 115.21 3adn n SER 149 Ca 0.12 -0.82 0.12 0.00 -0.26 0.00 0.00 58.87 58.02 3adn n SER 149 Cb 0.65 -3.23 0.10 0.00 -0.26 0.00 0.00 64.21 61.48 3adn n SER 149 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3adn h GLN 150 N -1.63 0.00 -3.53 4.33 4.20 -1.91 -3.50 115.11 113.07 3adn h GLN 150 Ca -0.56 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.15 3adn h GLN 150 Cb 1.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.15 3adn h GLN 150 CO 0.70 0.00 -0.53 -2.37 -0.67 0.00 0.00 178.83 175.96 3adn n THR 151 N -2.69 -3.16 -4.29 -0.54 5.66 -1.25 -5.05 114.28 102.95 3adn n THR 151 Ca 0.02 1.46 -0.16 0.00 -3.05 0.00 0.00 64.05 62.32 3adn n THR 151 Cb 0.52 -1.92 -0.10 0.00 -1.55 0.00 0.00 70.33 67.28 3adn n THR 151 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 3adn s PHE 152 N -2.04 1.47 -0.06 1.09 0.08 0.20 -4.88 117.98 113.85 3adn s PHE 152 Ca 0.00 -0.67 -0.05 0.00 0.12 0.00 0.00 56.93 56.33 3adn s PHE 152 Cb 0.00 -0.71 -0.27 0.00 -0.57 0.00 0.00 43.02 41.46 3adn s PHE 152 CO 0.00 0.21 0.60 -0.44 -0.10 0.00 0.00 175.22 175.49 3adn h ASP 153 N 2.68 0.42 -3.44 1.36 3.32 -1.38 0.21 116.42 119.59 3adn h ASP 153 Ca -0.37 -0.74 -0.37 0.00 0.02 0.00 0.00 57.03 55.57 3adn h ASP 153 Cb 1.20 -0.14 -0.35 0.00 0.22 0.00 0.00 39.33 40.27 3adn h ASP 153 CO 0.63 1.64 -0.75 -0.69 -1.72 0.00 0.00 179.24 178.35 3adn s VAL 154 N -2.58 0.22 -0.15 -1.35 1.01 -1.22 -1.48 120.40 114.84 3adn s VAL 154 Ca -0.15 0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3adn s VAL 154 Cb 0.06 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 36.12 3adn s VAL 154 CO 0.82 0.17 -0.19 -0.63 0.00 0.00 0.00 175.10 175.28 3adn s ILE 155 N 1.24 2.33 -0.18 2.22 1.01 -0.89 -1.13 121.20 125.79 3adn s ILE 155 Ca -0.07 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 3adn s ILE 155 Cb -0.13 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3adn s ILE 155 CO -0.02 0.53 -0.07 -0.63 0.00 0.00 0.00 174.94 174.75 3adn s ILE 156 N 0.92 3.43 -0.14 2.92 -1.09 -0.51 -2.22 121.20 124.50 3adn s ILE 156 Ca -0.04 -0.50 -0.03 0.00 -2.23 0.00 0.00 60.65 57.85 3adn s ILE 156 Cb -0.15 -2.51 -0.03 0.00 -1.58 0.00 0.00 42.46 38.19 3adn s ILE 156 CO -0.03 0.47 -0.05 -0.55 -1.23 0.00 0.00 174.94 173.55 3adn s SER 157 N 0.84 4.72 0.43 3.58 0.15 -0.67 0.11 113.70 122.87 3adn s SER 157 Ca -0.02 -0.13 0.08 0.00 0.70 0.00 0.00 55.95 56.58 3adn s SER 157 Cb -0.15 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 3adn s SER 157 CO 0.01 0.19 0.48 -0.62 1.20 0.00 0.00 173.24 174.50 3adn s ASP 158 N 0.23 5.27 -0.39 5.45 -1.08 0.83 -2.46 116.67 124.52 3adn s ASP 158 Ca -0.03 -0.65 -0.29 0.00 -0.52 0.00 0.00 52.55 51.06 3adn s ASP 158 Cb -0.14 -0.51 0.02 0.00 -1.46 0.00 0.00 42.92 40.83 3adn s ASP 158 CO 0.03 -0.76 1.22 0.00 0.52 0.00 0.00 175.17 176.18 3adn n THR 171 N 6.54 0.00 0.27 0.00 5.66 -1.26 -4.97 114.28 120.52 3adn n THR 171 Ca 0.14 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.24 3adn n THR 171 Cb 0.48 0.00 0.49 0.00 -1.55 0.00 0.00 70.33 69.74 3adn n THR 171 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3adn n SER 172 N 0.00 0.53 0.07 1.09 3.41 -1.26 -1.78 113.62 115.67 3adn n SER 172 Ca 0.00 0.68 -0.07 0.00 -0.26 0.00 0.00 58.87 59.22 3adn n SER 172 Cb 0.00 -0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 63.07 3adn n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3adn h ALA 173 N 2.15 0.37 0.66 7.33 0.00 -2.00 -3.07 119.26 124.70 3adn h ALA 173 Ca 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 54.91 53.99 3adn h ALA 173 Cb 0.18 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3adn h ALA 173 CO 0.00 1.20 -0.32 0.35 0.00 0.00 0.00 179.25 180.49 3adn h PHE 174 N 0.01 -0.82 -0.52 0.00 3.57 -1.79 -2.70 116.94 114.70 3adn h PHE 174 Ca -0.02 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.54 3adn h PHE 174 Cb 1.74 0.27 -0.10 0.00 2.79 0.00 0.00 35.95 40.65 3adn h PHE 174 CO 0.00 -0.50 -0.48 1.88 -2.23 0.00 0.00 178.31 176.99 3adn h TYR 175 N -1.22 -1.43 -0.72 0.41 0.05 -1.66 0.24 116.97 112.64 3adn h TYR 175 Ca -0.09 0.08 0.16 0.00 0.05 0.00 0.00 58.73 58.93 3adn h TYR 175 Cb 0.69 0.70 -0.13 0.00 1.01 0.00 0.00 36.73 38.99 3adn h TYR 175 CO 0.00 -0.45 -0.05 1.49 -1.05 0.00 0.00 178.16 178.10 3adn h GLU 176 N -0.29 0.07 -0.61 4.88 4.81 -1.61 1.56 114.58 123.39 3adn h GLU 176 Ca 0.14 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.45 3adn h GLU 176 Cb 0.57 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 3adn h GLU 176 CO -0.65 0.04 0.41 0.78 -0.73 0.00 0.00 179.01 178.86 3adn h GLY 177 N 0.07 0.66 2.00 1.92 0.00 -0.28 0.41 103.07 107.85 3adn h GLY 177 Ca 0.38 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.42 3adn h GLY 177 CO -0.67 0.13 -0.41 0.00 0.00 0.00 0.00 176.54 175.59 3adn h LYS 179 N 0.00 0.00 0.14 0.00 3.64 0.34 -2.97 116.57 117.72 3adn h LYS 179 Ca -0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 3adn h LYS 179 Cb 0.86 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3adn h LYS 179 CO 0.05 0.19 -1.67 0.00 -2.27 0.00 0.00 179.45 175.75 3adn h ARG 180 N 0.00 0.30 -0.04 1.90 3.08 -1.27 -3.29 114.38 115.07 3adn h ARG 180 Ca -0.00 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.53 3adn h ARG 180 Cb 0.83 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3adn h ARG 180 CO 0.03 1.18 0.00 0.00 -1.07 0.00 0.00 179.97 180.11 3adn s LEU 182 N -1.48 4.28 1.04 0.00 2.96 -1.12 0.62 118.68 124.98 3adn s LEU 182 Ca 0.24 0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 54.47 3adn s LEU 182 Cb 0.12 -2.23 0.21 0.00 0.50 0.00 0.00 46.19 44.78 3adn s LEU 182 CO 0.19 0.21 1.08 0.20 -1.32 0.00 0.00 176.35 176.71 3adn s ASN 183 N 0.01 2.26 0.00 3.68 -0.87 0.73 -4.81 114.94 115.94 3adn s ASN 183 Ca 0.14 1.20 0.00 0.00 -1.57 0.00 0.00 52.86 52.63 3adn s ASN 183 Cb -0.12 -1.88 0.00 0.00 -0.02 0.00 0.00 41.25 39.22 3adn s ASN 183 CO 0.03 -3.36 0.95 -2.65 -2.57 0.00 0.00 177.10 169.49 3adn n PRO 184 N -4.33 0.00 -1.20 -0.60 -0.02 -1.26 -2.37 135.00 125.23 3adn n PRO 184 Ca 0.05 0.87 -0.24 0.00 -2.02 0.00 0.00 63.50 62.15 3adn n PRO 184 Cb 0.57 -1.45 0.02 0.00 -0.02 0.00 0.00 33.50 32.62 3adn n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3adn n GLY 185 N -0.99 4.59 3.89 -1.23 0.00 -1.26 -4.72 105.19 105.46 3adn n GLY 185 Ca 0.00 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 3adn n GLY 185 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3adn s GLY 186 N -0.23 1.89 0.11 -0.02 0.00 -1.00 -4.89 107.32 103.19 3adn s GLY 186 Ca 0.46 -0.33 0.08 0.00 0.00 0.00 0.00 44.72 44.93 3adn s GLY 186 CO -0.09 -0.17 -0.15 -0.42 0.00 0.00 0.00 173.10 172.27 3adn s ILE 187 N -2.30 3.04 -0.06 0.90 1.01 -0.55 -4.27 121.20 118.98 3adn s ILE 187 Ca 0.49 -1.42 0.02 0.00 0.00 0.00 0.00 60.65 59.73 3adn s ILE 187 Cb -0.10 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.97 3adn s ILE 187 CO 0.32 0.10 -0.11 0.12 0.00 0.00 0.00 174.94 175.36 3adn s PHE 188 N -1.18 1.31 0.01 3.97 5.36 -0.32 -2.10 117.98 125.03 3adn s PHE 188 Ca 0.19 -0.45 0.04 0.00 -0.96 0.00 0.00 56.93 55.75 3adn s PHE 188 Cb -0.11 -0.97 -0.01 0.00 -0.34 0.00 0.00 43.02 41.59 3adn s PHE 188 CO 0.12 -0.24 -0.11 0.14 -1.46 0.00 0.00 175.22 173.67 3adn s VAL 189 N 0.61 0.86 -0.04 3.12 -7.23 -0.94 -1.12 120.40 115.66 3adn s VAL 189 Ca -0.12 -0.63 -0.06 0.00 -1.81 0.00 0.00 61.98 59.36 3adn s VAL 189 Cb -0.15 -0.76 0.01 0.00 0.56 0.00 0.00 36.38 36.05 3adn s VAL 189 CO 0.03 0.12 0.14 0.00 -0.31 0.00 0.00 175.10 175.08 3adn s ALA 190 N -0.48 -0.34 -0.01 1.32 0.00 -0.76 -1.66 121.76 119.82 3adn s ALA 190 Ca 0.02 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 3adn s ALA 190 Cb -0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 23.12 22.88 3adn s ALA 190 CO 0.00 -0.11 1.54 -1.14 0.00 0.00 0.00 175.76 176.05 3adn s GLN 191 N -0.40 4.22 -0.22 0.00 -0.44 -1.03 0.36 119.66 122.15 3adn s GLN 191 Ca -0.05 2.12 0.13 0.00 -2.50 0.00 0.00 55.36 55.06 3adn s GLN 191 Cb -0.03 -3.73 0.45 0.00 -1.64 0.00 0.00 33.01 28.06 3adn s GLN 191 CO 0.01 -0.71 1.34 0.09 0.50 0.00 0.00 175.29 176.51 3adn n ASN 192 N 6.09 2.57 -1.49 6.67 4.13 0.27 -4.84 115.26 128.66 3adn n ASN 192 Ca 0.15 -3.52 0.12 0.00 1.68 0.00 0.00 54.58 53.02 3adn n ASN 192 Cb 0.43 -0.56 -0.07 0.00 -1.54 0.00 0.00 39.78 38.04 3adn n ASN 192 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3adn n GLY 193 N -1.06 -3.61 3.69 7.41 0.00 -1.25 -4.62 105.19 105.75 3adn n GLY 193 Ca 0.24 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 3adn n GLY 193 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3adn n VAL 194 N -3.85 0.17 -3.20 1.61 3.14 -1.26 -2.69 118.33 112.26 3adn n VAL 194 Ca -0.07 -0.03 -0.41 0.00 -2.96 0.00 0.00 64.34 60.87 3adn n VAL 194 Cb 0.63 -1.93 -0.01 0.00 -1.06 0.00 0.00 33.84 31.47 3adn n VAL 194 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3adn n PHE 196 N 1.64 -0.61 -3.31 0.00 7.35 -1.26 -4.92 117.46 116.35 3adn n PHE 196 Ca 0.26 0.11 -0.44 0.00 -0.76 0.00 0.00 57.45 56.62 3adn n PHE 196 Cb 0.36 0.18 -0.08 0.00 0.35 0.00 0.00 39.48 40.29 3adn n PHE 196 CO 0.00 0.00 0.00 -0.48 -0.76 0.00 0.00 176.76 175.52 3adn s LEU 197 N -6.62 5.21 0.00 -2.13 2.34 -1.26 -4.82 118.68 111.40 3adn s LEU 197 Ca 0.00 -1.02 0.00 0.00 0.06 0.00 0.00 54.13 53.17 3adn s LEU 197 Cb 0.00 -2.31 0.00 0.00 -0.56 0.00 0.00 46.19 43.32 3adn s LEU 197 CO 0.00 -0.69 0.00 1.67 -1.06 0.00 0.00 176.35 176.27 3adn n GLN 198 N 5.58 0.00 0.00 1.48 0.00 -1.26 -4.97 117.38 118.21 3adn n GLN 198 Ca -0.09 0.31 0.05 0.00 -0.00 0.00 0.00 57.00 57.27 3adn n GLN 198 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.69 3adn n GLN 198 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3adn n GLN 199 N 0.83 2.10 -0.09 3.69 3.00 -1.26 -4.68 117.38 120.97 3adn n GLN 199 Ca 0.00 -0.60 0.02 0.00 -0.01 0.00 0.00 57.00 56.41 3adn n GLN 199 Cb 0.00 -1.10 0.34 0.00 0.00 0.00 0.00 30.24 29.48 3adn n GLN 199 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 3adn h GLU 200 N 1.15 0.73 -0.00 -1.09 5.08 -1.98 -0.81 114.58 117.66 3adn h GLU 200 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3adn h GLU 200 Cb 0.36 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3adn h GLU 200 CO 0.00 0.49 0.00 0.93 -1.00 0.00 0.00 179.01 179.44 3adn h GLU 201 N 0.75 0.00 0.01 2.33 5.08 -1.93 0.66 114.58 121.48 3adn h GLU 201 Ca 0.20 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3adn h GLU 201 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3adn h GLU 201 CO -0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 177.96 3adn h ALA 202 N 2.00 -0.01 -0.39 3.43 0.00 -1.48 -2.95 119.26 119.85 3adn h ALA 202 Ca 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.58 3adn h ALA 202 Cb 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 3adn h ALA 202 CO -0.00 -0.07 -0.05 0.82 0.00 0.00 0.00 179.25 179.95 3adn h ILE 203 N -0.90 0.65 -0.19 0.00 2.04 -0.67 0.26 117.51 118.71 3adn h ILE 203 Ca -0.00 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3adn h ILE 203 Cb 0.81 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3adn h ILE 203 CO 0.00 0.01 0.05 0.44 0.00 0.00 0.00 178.15 178.65 3adn h ASP 204 N 0.05 0.28 -0.66 1.72 5.19 -1.03 -2.34 116.42 119.63 3adn h ASP 204 Ca 0.19 -0.23 0.03 0.00 -0.62 0.00 0.00 57.03 56.41 3adn h ASP 204 Cb 0.28 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.68 3adn h ASP 204 CO -0.37 0.43 0.44 0.28 -3.12 0.00 0.00 179.24 176.90 3adn h SER 205 N 0.12 0.69 0.67 6.45 0.02 -1.25 -0.34 113.55 119.91 3adn h SER 205 Ca 0.06 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3adn h SER 205 Cb 0.26 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.65 3adn h SER 205 CO 0.00 0.48 -0.32 -0.74 -1.14 0.00 0.00 176.83 175.11 3adn h HIS 206 N 0.80 -0.83 -0.11 3.45 -0.00 -0.31 -0.70 115.15 117.45 3adn h HIS 206 Ca 0.26 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.65 3adn h HIS 206 Cb 0.05 0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 27.69 3adn h HIS 206 CO -0.00 -0.48 -0.17 -0.09 -0.00 0.00 0.00 177.93 177.19 3adn h ARG 207 N -1.07 -0.21 -0.69 5.26 2.43 -1.15 0.85 114.38 119.80 3adn h ARG 207 Ca -0.09 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.21 3adn h ARG 207 Cb 0.72 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.23 3adn h ARG 207 CO 0.15 -0.14 0.25 0.87 -1.51 0.00 0.00 179.97 179.59 3adn h LYS 208 N -0.22 0.40 -0.21 0.20 1.57 -1.09 -1.17 116.57 116.05 3adn h LYS 208 Ca 0.09 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 3adn h LYS 208 Cb 0.35 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 3adn h LYS 208 CO -0.24 0.26 -0.23 -0.07 -0.57 0.00 0.00 179.45 178.60 3adn h LEU 209 N 0.41 0.58 -2.09 2.94 4.07 -0.32 -2.88 115.31 118.02 3adn h LEU 209 Ca 0.36 -0.48 0.09 0.00 0.08 0.00 0.00 57.88 57.93 3adn h LEU 209 Cb 0.51 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 3adn h LEU 209 CO -0.37 0.94 0.32 0.28 -1.08 0.00 0.00 178.44 178.54 3adn h SER 210 N 0.22 0.00 0.49 -0.43 0.02 0.15 0.31 113.55 114.31 3adn h SER 210 Ca 0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3adn h SER 210 Cb 0.79 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 3adn h SER 210 CO 0.06 0.00 -0.00 -0.74 -1.14 0.00 0.00 176.83 175.01 3adn h HIS 211 N 0.00 0.00 0.00 3.45 6.17 -1.01 -3.31 115.15 120.45 3adn h HIS 211 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.23 3adn h HIS 211 Cb 0.79 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.72 3adn h HIS 211 CO 0.00 0.00 -0.49 0.66 0.71 0.00 0.00 177.93 178.81 3adn n TYR 212 N -3.09 0.00 -4.34 5.26 4.01 0.57 -5.07 117.16 114.49 3adn n TYR 212 Ca -0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.39 3adn n TYR 212 Cb 0.18 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.12 3adn n TYR 212 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3adn s PHE 213 N -1.14 3.12 0.04 -0.72 0.08 0.79 -4.98 117.98 115.16 3adn s PHE 213 Ca 0.00 0.14 -0.24 0.00 0.12 0.00 0.00 56.93 56.95 3adn s PHE 213 Cb 0.00 -1.73 -0.16 0.00 -0.57 0.00 0.00 43.02 40.55 3adn s PHE 213 CO 0.00 0.46 1.50 1.03 -0.10 0.00 0.00 175.22 178.11 3adn h SER 214 N 4.79 0.06 -3.25 1.36 0.87 -1.83 -3.41 113.55 112.14 3adn h SER 214 Ca -0.50 -0.26 -0.67 0.00 -1.23 0.00 0.00 61.79 59.13 3adn h SER 214 Cb 1.18 -0.02 -0.31 0.00 -0.44 0.00 0.00 62.40 62.81 3adn h SER 214 CO 0.56 0.31 -0.82 -0.62 -0.53 0.00 0.00 176.83 175.73 3adn s ASP 215 N -5.52 3.54 0.00 6.23 2.15 0.10 -5.00 116.67 118.18 3adn s ASP 215 Ca -0.14 -0.51 0.02 0.00 0.43 0.00 0.00 52.55 52.35 3adn s ASP 215 Cb 0.04 -1.54 -0.01 0.00 -0.30 0.00 0.00 42.92 41.11 3adn s ASP 215 CO 0.68 0.07 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.98 3adn s VAL 216 N 0.91 0.62 -0.01 1.11 1.01 -1.26 -0.98 120.40 121.80 3adn s VAL 216 Ca -0.04 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 3adn s VAL 216 Cb -0.15 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.71 3adn s VAL 216 CO -0.02 0.11 0.27 0.61 0.00 0.00 0.00 175.10 176.07 3adn n GLY 217 N 2.71 0.46 3.27 4.51 0.00 0.71 -5.01 105.19 111.84 3adn n GLY 217 Ca -0.14 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 3adn n GLY 217 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3adn s PHE 218 N -2.51 1.34 0.05 1.61 0.08 -1.26 0.11 117.98 117.40 3adn s PHE 218 Ca 0.06 -0.80 -0.02 0.00 0.12 0.00 0.00 56.93 56.29 3adn s PHE 218 Cb -0.00 -0.71 -0.03 0.00 -0.57 0.00 0.00 43.02 41.71 3adn s PHE 218 CO -0.00 0.05 0.01 1.52 -0.10 0.00 0.00 175.22 176.69 3adn s TYR 219 N -3.36 0.41 0.15 0.36 1.13 -0.94 -4.66 117.35 110.45 3adn s TYR 219 Ca 0.20 -0.89 0.02 0.00 -1.41 0.00 0.00 57.07 54.99 3adn s TYR 219 Cb 0.03 -0.30 -0.04 0.00 -1.10 0.00 0.00 41.96 40.55 3adn s TYR 219 CO 0.03 -0.37 -0.03 1.14 -2.51 0.00 0.00 175.55 173.80 3adn s GLN 220 N -3.46 1.03 -0.20 -3.49 0.00 0.16 0.28 119.66 113.98 3adn s GLN 220 Ca 0.03 -1.47 -0.18 0.00 -0.00 0.00 0.00 55.36 53.74 3adn s GLN 220 Cb 0.04 -0.32 0.05 0.00 0.00 0.00 0.00 33.01 32.79 3adn s GLN 220 CO -0.08 -0.07 0.52 0.00 0.00 0.00 0.00 175.29 175.66 3adn s ALA 221 N -3.59 -1.29 -0.30 2.60 0.00 -0.92 -4.63 121.76 113.63 3adn s ALA 221 Ca 0.20 1.49 -0.14 0.00 0.00 0.00 0.00 51.96 53.50 3adn s ALA 221 Cb 0.05 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 3adn s ALA 221 CO 0.01 -0.25 0.32 0.00 0.00 0.00 0.00 175.76 175.84 3adn s ALA 222 N 0.35 3.53 -0.24 0.00 0.00 -1.26 -0.93 121.76 123.20 3adn s ALA 222 Ca -0.01 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 3adn s ALA 222 Cb -0.04 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.34 3adn s ALA 222 CO -0.00 -0.80 0.19 0.42 0.00 0.00 0.00 175.76 175.57 3adn s ILE 223 N 1.96 5.33 0.57 0.00 1.09 -1.26 -4.97 121.20 123.92 3adn s ILE 223 Ca 0.11 0.23 0.27 0.00 -1.10 0.00 0.00 60.65 60.17 3adn s ILE 223 Cb -0.16 -3.53 0.37 0.00 -1.06 0.00 0.00 42.46 38.08 3adn s ILE 223 CO 0.11 0.31 2.03 1.55 -0.10 0.00 0.00 174.94 178.84 3adn h PRO 224 N 7.68 0.00 0.00 2.79 0.13 -1.93 -1.65 132.00 139.02 3adn h PRO 224 Ca -0.37 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.53 3adn h PRO 224 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 3adn h PRO 224 CO 0.64 0.00 -1.23 1.15 -0.23 0.00 0.00 178.00 178.33 3adn h THR 225 N 0.00 1.38 -2.41 1.56 2.02 -1.95 -3.39 112.91 110.12 3adn h THR 225 Ca 0.15 -3.12 -0.72 0.00 0.77 0.00 0.00 66.41 63.48 3adn h THR 225 Cb 0.74 2.68 -0.19 0.00 -1.74 0.00 0.00 68.15 69.64 3adn h THR 225 CO -0.00 0.78 1.05 -0.31 0.37 0.00 0.00 175.52 177.41 3adn s TYR 226 N -2.68 3.41 0.32 3.16 2.02 -0.62 -5.00 117.35 117.96 3adn s TYR 226 Ca -0.01 -1.87 -0.26 0.00 -0.37 0.00 0.00 57.07 54.56 3adn s TYR 226 Cb 0.09 -4.26 -0.14 0.00 -0.40 0.00 0.00 41.96 37.26 3adn s TYR 226 CO 0.82 -1.39 0.69 0.98 -1.57 0.00 0.00 175.55 175.08 3adn n TYR 227 N 5.77 0.09 0.00 2.71 9.36 -1.26 -3.98 117.16 129.85 3adn n TYR 227 Ca 0.30 0.72 0.00 0.00 3.32 0.00 0.00 57.90 62.25 3adn n TYR 227 Cb 0.45 -2.07 0.00 0.00 -0.63 0.00 0.00 39.34 37.09 3adn n TYR 227 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3adn n GLY 228 N 1.65 0.85 4.46 2.98 0.00 -1.26 -4.86 105.19 109.00 3adn n GLY 228 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3adn n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3adn n GLY 229 N -0.73 0.57 3.36 -0.02 0.00 -1.26 -4.63 105.19 102.48 3adn n GLY 229 Ca 0.00 -1.03 -0.56 0.00 0.00 0.00 0.00 46.02 44.43 3adn n GLY 229 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3adn n ILE 230 N 0.00 0.09 -3.42 -0.61 -0.00 -1.26 -4.25 119.36 109.91 3adn n ILE 230 Ca 0.00 -0.10 -0.33 0.00 -0.00 0.00 0.00 62.75 62.32 3adn n ILE 230 Cb 0.00 -0.98 -0.05 0.00 -0.00 0.00 0.00 39.64 38.61 3adn n ILE 230 CO 0.00 0.00 0.00 -0.32 -0.00 0.00 0.00 176.55 176.23 3adn s MET 231 N 5.91 3.84 -0.10 0.38 -2.45 -0.11 -1.80 119.30 124.98 3adn s MET 231 Ca 1.15 0.31 -0.02 0.00 -1.25 0.00 0.00 55.69 55.88 3adn s MET 231 Cb -1.23 -2.75 -0.03 0.00 1.25 0.00 0.00 34.83 32.07 3adn s MET 231 CO 0.60 0.38 -0.01 0.99 1.05 0.00 0.00 175.02 178.02 3adn s THR 232 N -1.69 4.18 -0.21 10.11 2.01 -1.09 -2.17 115.64 126.77 3adn s THR 232 Ca 0.44 -0.29 -0.00 0.00 0.31 0.00 0.00 61.69 62.15 3adn s THR 232 Cb -0.12 -2.76 0.02 0.00 0.01 0.00 0.00 72.50 69.64 3adn s THR 232 CO 0.21 0.58 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.22 3adn s PHE 233 N -0.65 2.90 0.12 4.92 0.08 0.14 -0.57 117.98 124.93 3adn s PHE 233 Ca 0.10 -1.57 -0.31 0.00 0.12 0.00 0.00 56.93 55.28 3adn s PHE 233 Cb -0.12 -1.98 -0.09 0.00 -0.57 0.00 0.00 43.02 40.27 3adn s PHE 233 CO 0.02 -0.76 1.54 0.00 -0.10 0.00 0.00 175.22 175.92 3adn s ALA 234 N 1.31 3.71 -0.13 5.36 0.00 0.16 -2.22 121.76 129.95 3adn s ALA 234 Ca 0.03 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.27 3adn s ALA 234 Cb -0.14 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.36 3adn s ALA 234 CO -0.09 -0.82 -0.22 -0.46 0.00 0.00 0.00 175.76 174.16 3adn s TRP 235 N 1.54 2.64 -0.15 0.00 -0.11 0.31 -1.83 118.94 121.34 3adn s TRP 235 Ca 0.69 -1.24 -0.07 0.00 1.22 0.00 0.00 56.10 56.70 3adn s TRP 235 Cb -0.41 -1.78 0.06 0.00 -1.50 0.00 0.00 33.47 29.84 3adn s TRP 235 CO 0.31 -0.55 0.34 0.00 -4.62 0.00 0.00 176.95 172.44 3adn s ALA 236 N 0.66 -0.86 0.14 5.86 0.00 -0.28 -0.21 121.76 127.07 3adn s ALA 236 Ca -0.11 1.29 -0.24 0.00 0.00 0.00 0.00 51.96 52.90 3adn s ALA 236 Cb -0.16 -0.93 0.07 0.00 0.00 0.00 0.00 23.12 22.11 3adn s ALA 236 CO 0.02 -0.38 0.64 -0.08 0.00 0.00 0.00 175.76 175.96 3adn s THR 237 N 1.71 0.00 0.11 0.00 -1.32 -0.15 -1.17 115.64 114.82 3adn s THR 237 Ca -0.07 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.46 3adn s THR 237 Cb -0.10 -1.00 -0.22 0.00 -1.51 0.00 0.00 72.50 69.67 3adn s THR 237 CO -0.11 0.00 1.25 0.44 -2.21 0.00 0.00 174.62 173.99 3adn h ASP 238 N 2.00 0.10 -1.38 8.08 3.32 -1.84 0.29 116.42 126.99 3adn h ASP 238 Ca -0.32 -0.10 -0.68 0.00 0.02 0.00 0.00 57.03 55.94 3adn h ASP 238 Cb 1.30 -0.03 -0.12 0.00 0.22 0.00 0.00 39.33 40.70 3adn h ASP 238 CO 0.37 1.08 1.74 0.21 -1.72 0.00 0.00 179.24 180.91 3adn s ASN 239 N -6.81 6.82 0.11 6.45 3.04 -1.26 -4.58 114.94 118.70 3adn s ASN 239 Ca -0.00 -2.37 0.12 0.00 0.04 0.00 0.00 52.86 50.65 3adn s ASN 239 Cb 0.09 -2.52 0.55 0.00 -1.54 0.00 0.00 41.25 37.84 3adn s ASN 239 CO 0.83 -1.11 1.36 -0.90 -3.04 0.00 0.00 177.10 174.24 3adn n ASP 240 N 7.62 0.22 -1.43 -4.21 5.75 -1.26 -3.38 116.55 119.86 3adn n ASP 240 Ca 0.41 0.58 0.00 0.00 -0.01 0.00 0.00 54.79 55.77 3adn n ASP 240 Cb 0.46 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 3adn n ASP 240 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3adn n ALA 241 N -1.60 2.24 -2.27 2.12 0.00 -1.26 -4.66 120.51 115.07 3adn n ALA 241 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3adn n ALA 241 Cb 0.08 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3adn n ALA 241 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3adn n LEU 242 N 1.33 0.00 0.00 0.00 4.32 -1.22 -4.76 117.00 116.67 3adn n LEU 242 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3adn n LEU 242 Cb 0.21 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 3adn n LEU 242 CO 0.00 0.00 0.00 0.54 -1.22 0.00 0.00 177.39 176.71 3adn n ARG 243 N 0.00 0.00 -0.02 3.23 1.74 -1.26 -4.88 116.66 115.47 3adn n ARG 243 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3adn n ARG 243 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3adn n ARG 243 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3adn n HIS 244 N 0.00 -1.52 -4.33 -1.55 8.25 -1.26 -4.93 115.22 109.87 3adn n HIS 244 Ca 0.00 0.02 -0.24 0.00 -0.26 0.00 0.00 57.72 57.24 3adn n HIS 244 Cb 0.00 0.11 -0.08 0.00 1.12 0.00 0.00 29.99 31.13 3adn n HIS 244 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 3adn s LEU 245 N 0.00 3.02 0.20 2.41 -0.00 -1.26 -5.05 118.68 117.99 3adn s LEU 245 Ca 0.00 -0.72 -0.11 0.00 -0.00 0.00 0.00 54.13 53.30 3adn s LEU 245 Cb 0.00 -1.57 0.17 0.00 -0.00 0.00 0.00 46.19 44.80 3adn s LEU 245 CO 0.00 0.03 1.82 0.28 -0.00 0.00 0.00 176.35 178.49 3adn h SER 246 N 2.18 0.60 -0.65 1.48 0.02 -1.91 -2.78 113.55 112.48 3adn h SER 246 Ca -0.44 0.01 0.11 0.00 -0.84 0.00 0.00 61.79 60.63 3adn h SER 246 Cb 1.24 -0.11 -0.08 0.00 0.14 0.00 0.00 62.40 63.59 3adn h SER 246 CO 0.59 0.41 0.23 0.00 -1.14 0.00 0.00 176.83 176.92 3adn h THR 247 N 0.73 0.71 -0.40 -2.27 1.03 -1.96 -0.01 112.91 110.73 3adn h THR 247 Ca 0.26 -0.13 0.05 0.00 -0.01 0.00 0.00 66.41 66.57 3adn h THR 247 Cb 0.07 0.29 -0.04 0.00 -1.07 0.00 0.00 68.15 67.39 3adn h THR 247 CO -0.13 0.07 0.15 -0.33 -0.01 0.00 0.00 175.52 175.28 3adn h GLU 248 N 0.39 0.31 0.00 0.00 3.07 -1.92 -1.53 114.58 114.90 3adn h GLU 248 Ca 0.34 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.17 3adn h GLU 248 Cb 0.47 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3adn h GLU 248 CO -0.36 0.21 -0.07 0.82 -1.40 0.00 0.00 179.01 178.21 3adn h ILE 249 N 0.32 0.41 0.00 3.13 1.08 -1.15 -0.55 117.51 120.76 3adn h ILE 249 Ca 0.18 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 3adn h ILE 249 Cb 0.15 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 3adn h ILE 249 CO -0.18 0.07 0.00 -0.38 -0.69 0.00 0.00 178.15 176.97 3adn n ILE 250 N -3.53 0.00 0.40 -0.67 2.08 -0.15 -1.56 119.36 115.93 3adn n ILE 250 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 3adn n ILE 250 Cb 0.19 -0.98 0.00 0.00 -0.75 0.00 0.00 39.64 38.10 3adn n ILE 250 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3adn n GLN 251 N -0.96 0.40 -0.20 0.38 10.64 -0.21 -1.65 117.38 125.78 3adn n GLN 251 Ca 0.00 0.00 0.04 0.00 -1.83 0.00 0.00 57.00 55.21 3adn n GLN 251 Cb 0.00 -1.23 0.13 0.00 -0.86 0.00 0.00 30.24 28.29 3adn n GLN 251 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3adn n ALA 252 N 0.44 2.62 0.00 2.61 0.00 -0.60 -5.07 120.51 120.51 3adn n ALA 252 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3adn n ALA 252 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3adn n ALA 252 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3adn n ARG 253 N 0.30 0.00 -0.28 0.00 0.00 -0.66 -4.95 116.66 111.07 3adn n ARG 253 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 3adn n ARG 253 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.80 3adn n ARG 253 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3adn n LEU 259 N 0.00 -2.44 0.00 2.89 0.00 -1.26 -5.19 117.00 110.99 3adn n LEU 259 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 56.01 56.51 3adn n LEU 259 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 43.42 43.78 3adn n LEU 259 CO 0.00 -0.07 0.00 1.17 0.00 0.00 0.00 177.39 178.49 3adn n LYS 260 N -0.45 0.00 0.00 1.96 3.00 -1.26 -5.16 118.16 116.25 3adn n LYS 260 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3adn n LYS 260 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3adn n LYS 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3adn n ARG 262 N -1.26 5.95 0.09 0.00 1.74 -1.26 -4.83 116.66 117.09 3adn n ARG 262 Ca 0.00 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3adn n ARG 262 Cb 0.00 -0.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 3adn n ARG 262 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3adn n TYR 263 N -1.05 -1.25 -1.02 -1.55 9.36 -1.26 -5.04 117.16 115.36 3adn n TYR 263 Ca 0.01 0.22 -0.33 0.00 3.32 0.00 0.00 57.90 61.12 3adn n TYR 263 Cb 0.05 0.33 0.13 0.00 -0.63 0.00 0.00 39.34 39.22 3adn n TYR 263 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 3adn n TYR 264 N -3.36 0.95 0.00 2.98 9.36 -1.26 -4.96 117.16 120.87 3adn n TYR 264 Ca 0.00 0.39 0.00 0.00 3.32 0.00 0.00 57.90 61.61 3adn n TYR 264 Cb 0.04 -2.06 0.00 0.00 -0.63 0.00 0.00 39.34 36.69 3adn n TYR 264 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3adn n ASN 265 N -3.21 0.00 -0.05 2.98 2.04 -1.26 -4.73 115.26 111.03 3adn n ASN 265 Ca 0.13 0.00 0.04 0.00 -0.44 0.00 0.00 54.58 54.31 3adn n ASN 265 Cb 0.51 0.00 0.40 0.00 -2.53 0.00 0.00 39.78 38.15 3adn n ASN 265 CO 0.00 0.00 0.00 -0.65 -0.44 0.00 0.00 177.26 176.17 3adn h PRO 266 N 0.00 0.62 0.38 -0.53 0.11 -1.95 -2.67 132.00 127.96 3adn h PRO 266 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3adn h PRO 266 Cb 0.00 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 30.97 3adn h PRO 266 CO 0.00 0.41 -0.21 0.00 -0.21 0.00 0.00 178.00 177.99 3adn h ALA 267 N 1.70 -0.55 -0.60 -0.75 0.00 -1.97 -2.82 119.26 114.27 3adn h ALA 267 Ca 0.19 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.11 3adn h ALA 267 Cb -0.01 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 3adn h ALA 267 CO -0.04 -0.82 0.09 0.82 0.00 0.00 0.00 179.25 179.30 3adn h ILE 268 N -0.56 0.59 -0.93 0.00 1.08 -1.89 -1.21 117.51 114.61 3adn h ILE 268 Ca -0.04 -0.07 0.14 0.00 -0.39 0.00 0.00 64.86 64.50 3adn h ILE 268 Cb 0.45 0.36 -0.09 0.00 -3.07 0.00 0.00 36.82 34.47 3adn h ILE 268 CO 0.06 0.04 0.54 -0.74 -0.69 0.00 0.00 178.15 177.35 3adn h HIS 269 N 0.21 0.95 0.00 1.37 2.76 -1.32 0.26 115.15 119.38 3adn h HIS 269 Ca 0.32 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 3adn h HIS 269 Cb 0.49 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.16 3adn h HIS 269 CO -0.28 0.29 -0.42 1.15 -1.30 0.00 0.00 177.93 177.37 3adn h THR 270 N 0.78 0.00 0.01 6.26 2.02 -1.06 -3.29 112.91 117.63 3adn h THR 270 Ca 0.49 -0.91 -0.26 0.00 0.77 0.00 0.00 66.41 66.50 3adn h THR 270 Cb 0.63 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.70 3adn h THR 270 CO -0.33 0.00 -1.45 0.00 0.37 0.00 0.00 175.52 174.12 3adn h ALA 271 N 2.09 0.59 -0.85 6.16 0.00 -0.18 -3.36 119.26 123.72 3adn h ALA 271 Ca 0.00 -1.25 0.25 0.00 0.00 0.00 0.00 54.91 53.91 3adn h ALA 271 Cb 0.96 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3adn h ALA 271 CO 0.00 1.44 0.72 0.00 0.00 0.00 0.00 179.25 181.41 3adn h ALA 272 N 0.96 2.70 -0.01 0.00 0.00 -0.60 0.22 119.26 122.54 3adn h ALA 272 Ca -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3adn h ALA 272 Cb 1.93 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3adn h ALA 272 CO 0.10 -1.16 -0.08 1.19 0.00 0.00 0.00 179.25 179.30 3adn n PHE 273 N -3.91 0.00 -2.79 0.00 3.72 -1.26 0.36 117.46 113.59 3adn n PHE 273 Ca 0.18 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.15 3adn n PHE 273 Cb 1.02 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 39.46 3adn n PHE 273 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3adn s ALA 274 N -2.22 3.10 0.07 4.37 0.00 0.77 -4.85 121.76 122.99 3adn s ALA 274 Ca 0.34 -2.40 -0.31 0.00 0.00 0.00 0.00 51.96 49.60 3adn s ALA 274 Cb 0.21 -4.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.09 3adn s ALA 274 CO 0.41 -3.16 1.20 -0.51 0.00 0.00 0.00 175.76 173.70 3adn s LEU 275 N 3.74 4.37 0.45 0.00 1.43 -1.26 -4.93 118.68 122.49 3adn s LEU 275 Ca 0.35 2.03 -0.23 0.00 -1.03 0.00 0.00 54.13 55.25 3adn s LEU 275 Cb -0.05 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.49 3adn s LEU 275 CO -0.05 -0.46 1.03 -0.81 0.23 0.00 0.00 176.35 176.29 3adn n PRO 276 N 3.86 1.35 -0.40 1.29 -0.04 -1.26 -4.75 135.00 135.04 3adn n PRO 276 Ca 0.09 0.49 -0.08 0.00 -0.04 0.00 0.00 63.50 63.95 3adn n PRO 276 Cb 0.46 -2.11 -0.06 0.00 -0.04 0.00 0.00 33.50 31.75 3adn n PRO 276 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3adn n GLN 277 N -0.07 -0.38 -0.32 0.54 -0.06 -1.26 -1.66 117.38 114.17 3adn n GLN 277 Ca 0.10 1.49 0.15 0.00 -2.00 0.00 0.00 57.00 56.74 3adn n GLN 277 Cb 0.41 -2.20 0.38 0.00 -4.06 0.00 0.00 30.24 24.77 3adn n GLN 277 CO 0.00 0.00 0.00 0.10 -0.20 0.00 0.00 177.06 176.96 3adn h TYR 278 N 0.00 0.90 -0.29 3.69 -0.00 -2.01 -2.11 116.97 117.15 3adn h TYR 278 Ca 0.21 0.03 -0.10 0.00 -0.00 0.00 0.00 58.73 58.86 3adn h TYR 278 Cb 0.45 -0.27 -0.01 0.00 -0.00 0.00 0.00 36.73 36.90 3adn h TYR 278 CO -0.97 0.22 -0.25 1.25 -0.00 0.00 0.00 178.16 178.41 3adn h LEU 279 N 0.66 0.58 0.00 0.10 6.46 -1.66 -2.84 115.31 118.62 3adn h LEU 279 Ca 0.54 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 3adn h LEU 279 Cb 0.97 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 3adn h LEU 279 CO -0.30 0.82 -0.22 0.06 -0.62 0.00 0.00 178.44 178.18 3adn h GLN 280 N 0.50 0.00 -0.74 1.25 3.07 -1.41 -3.18 115.11 114.61 3adn h GLN 280 Ca 0.07 0.00 0.16 0.00 0.09 0.00 0.00 58.65 58.97 3adn h GLN 280 Cb 0.71 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 28.16 3adn h GLN 280 CO 0.05 0.00 0.21 -0.44 0.09 0.00 0.00 178.83 178.74 3adn h ASP 281 N 0.00 0.07 0.00 0.06 3.32 -1.17 -3.52 116.42 115.18 3adn h ASP 281 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3adn h ASP 281 Cb 0.94 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3adn h ASP 281 CO 0.00 -0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.51