#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 3.33 0.08 1.08 -0.00 -0.60 -4.93 118.94 117.91 3adn s TRP 7 Ca 0.00 1.04 0.04 0.00 -0.00 0.00 0.00 56.10 57.18 3adn s TRP 7 Cb 0.00 -2.95 -0.04 0.00 -0.00 0.00 0.00 33.47 30.48 3adn s TRP 7 CO 0.00 -0.32 0.03 -1.01 -0.00 0.00 0.00 176.95 175.65 3adn s HIS 8 N 2.50 3.08 -0.27 5.86 3.76 -1.26 -1.08 115.29 127.87 3adn s HIS 8 Ca 0.32 0.02 -0.18 0.00 -0.15 0.00 0.00 55.06 55.07 3adn s HIS 8 Cb -0.16 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.93 3adn s HIS 8 CO 0.09 0.50 0.52 -2.00 -0.85 0.00 0.00 174.74 172.99 3adn s GLU 9 N -2.32 4.02 0.34 1.40 2.12 -0.82 -4.91 118.70 118.54 3adn s GLU 9 Ca 0.27 0.27 0.19 0.00 0.36 0.00 0.00 54.97 56.07 3adn s GLU 9 Cb -0.12 -3.67 0.18 0.00 0.26 0.00 0.00 34.13 30.78 3adn s GLU 9 CO 0.20 -0.39 1.47 1.15 -0.54 0.00 0.00 175.26 177.15 3adn h THR 10 N 5.43 0.38 -0.69 -1.70 2.02 -0.94 -3.39 112.91 114.02 3adn h THR 10 Ca -0.29 -1.55 0.11 0.00 0.77 0.00 0.00 66.41 65.46 3adn h THR 10 Cb 1.14 2.14 -0.12 0.00 -1.74 0.00 0.00 68.15 69.58 3adn h THR 10 CO 0.72 0.22 -0.25 -0.11 0.37 0.00 0.00 175.52 176.46 3adn n LEU 11 N -3.12 -0.41 -4.63 2.58 7.94 -1.19 -4.18 117.00 113.99 3adn n LEU 11 Ca 0.02 1.21 -0.34 0.00 -1.11 0.00 0.00 56.01 55.79 3adn n LEU 11 Cb 0.63 -0.29 -0.10 0.00 0.53 0.00 0.00 43.42 44.19 3adn n LEU 11 CO 0.37 -1.10 -0.26 -1.00 -1.11 0.00 0.00 177.39 174.29 3adn s HIS 12 N -5.70 3.23 0.37 1.96 3.76 -1.26 -5.09 115.29 112.56 3adn s HIS 12 Ca -0.10 0.05 -0.07 0.00 -0.15 0.00 0.00 55.06 54.79 3adn s HIS 12 Cb 0.15 -2.05 -0.05 0.00 1.11 0.00 0.00 32.58 31.74 3adn s HIS 12 CO 0.50 0.17 0.68 -0.51 -0.85 0.00 0.00 174.74 174.73 3adn s ASP 13 N 0.26 6.45 0.00 1.40 1.01 -1.26 -3.92 116.67 120.61 3adn s ASP 13 Ca 0.03 0.92 0.00 0.00 0.71 0.00 0.00 52.55 54.21 3adn s ASP 13 Cb -0.12 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.57 3adn s ASP 13 CO 0.01 -0.34 0.00 0.00 0.21 0.00 0.00 175.17 175.05 3adn n GLN 14 N -1.30 0.00 -3.60 8.23 1.13 -1.26 -4.88 117.38 115.70 3adn n GLN 14 Ca 0.00 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 3adn n GLN 14 Cb 0.54 -1.10 -0.02 0.00 0.11 0.00 0.00 30.24 29.77 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 -0.81 -0.22 0.00 1.08 -0.71 -1.25 -5.19 117.98 110.88 3adn s PHE 15 Ca 0.00 0.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.94 3adn s PHE 15 Cb 0.00 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.37 3adn s PHE 15 CO 0.00 -0.54 0.00 0.41 -1.34 0.00 0.00 175.22 173.75 3adn n GLY 16 N -0.31 0.49 3.34 1.99 0.00 -1.26 -4.27 105.19 105.17 3adn n GLY 16 Ca -0.07 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.11 1.29 0.12 1.61 -2.07 -1.26 -5.00 119.66 113.23 3adn s GLN 17 Ca 0.00 -1.31 0.04 0.00 -1.82 0.00 0.00 55.36 52.27 3adn s GLN 17 Cb 0.00 -1.58 -0.04 0.00 -1.09 0.00 0.00 33.01 30.30 3adn s GLN 17 CO 0.00 0.36 -0.11 1.52 -1.32 0.00 0.00 175.29 175.74 3adn s TYR 18 N -1.38 1.17 -0.01 9.60 1.13 -1.26 -1.94 117.35 124.66 3adn s TYR 18 Ca 0.12 -0.68 0.03 0.00 -1.41 0.00 0.00 57.07 55.13 3adn s TYR 18 Cb -0.09 -0.62 -0.01 0.00 -1.10 0.00 0.00 41.96 40.14 3adn s TYR 18 CO 0.06 0.04 -0.09 -0.06 -2.51 0.00 0.00 175.55 173.00 3adn s PHE 19 N -2.70 0.80 -0.12 -3.49 0.08 -0.25 -4.95 117.98 107.34 3adn s PHE 19 Ca 0.10 -0.15 -0.29 0.00 0.12 0.00 0.00 56.93 56.70 3adn s PHE 19 Cb -0.01 -0.51 -0.01 0.00 -0.57 0.00 0.00 43.02 41.92 3adn s PHE 19 CO 0.01 -0.01 1.03 0.00 -0.10 0.00 0.00 175.22 176.14 3adn s ALA 20 N -0.21 3.46 -0.56 5.36 0.00 -1.26 -1.55 121.76 126.99 3adn s ALA 20 Ca 0.03 0.36 -0.22 0.00 0.00 0.00 0.00 51.96 52.13 3adn s ALA 20 Cb -0.03 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.68 3adn s ALA 20 CO -0.00 -0.69 0.86 0.08 0.00 0.00 0.00 175.76 176.00 3adn s VAL 21 N 2.24 4.51 0.09 0.00 1.01 -1.26 -4.41 120.40 122.58 3adn s VAL 21 Ca 0.48 -0.09 0.12 0.00 0.00 0.00 0.00 61.98 62.49 3adn s VAL 21 Cb -0.18 -4.50 -0.05 0.00 0.00 0.00 0.00 36.38 31.64 3adn s VAL 21 CO 0.16 -1.10 1.46 0.44 0.00 0.00 0.00 175.10 176.06 3adn h ASP 22 N 9.28 0.00 -2.80 3.32 3.32 -1.67 -3.46 116.42 124.41 3adn h ASP 22 Ca -0.27 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.87 3adn h ASP 22 Cb 1.08 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.36 3adn h ASP 22 CO 1.08 0.70 0.40 0.21 -1.72 0.00 0.00 179.24 179.90 3adn s ASN 23 N -6.63 -0.50 -0.23 6.45 3.84 -1.25 -5.00 114.94 111.62 3adn s ASN 23 Ca 0.01 0.86 -0.15 0.00 0.21 0.00 0.00 52.86 53.79 3adn s ASN 23 Cb 0.10 1.08 -0.04 0.00 -0.55 0.00 0.00 41.25 41.84 3adn s ASN 23 CO 0.77 -0.14 0.37 -0.69 -2.79 0.00 0.00 177.10 174.61 3adn s VAL 24 N 0.93 5.21 -0.12 -5.21 1.01 -1.26 -0.47 120.40 120.48 3adn s VAL 24 Ca -0.04 0.61 0.18 0.00 0.00 0.00 0.00 61.98 62.72 3adn s VAL 24 Cb -0.04 -3.69 -0.20 0.00 0.00 0.00 0.00 36.38 32.44 3adn s VAL 24 CO -0.12 0.23 0.58 0.18 0.00 0.00 0.00 175.10 175.97 3adn n LEU 25 N 4.74 0.50 -3.57 3.92 7.99 -0.44 -4.99 117.00 125.15 3adn n LEU 25 Ca -0.09 0.22 -0.14 0.00 -0.01 0.00 0.00 56.01 55.99 3adn n LEU 25 Cb 0.51 0.17 -0.06 0.00 -0.11 0.00 0.00 43.42 43.93 3adn n LEU 25 CO 0.38 0.21 0.60 -0.47 -1.51 0.00 0.00 177.39 176.60 3adn s TYR 26 N -2.92 -0.55 -0.27 -1.77 5.04 -1.08 -4.96 117.35 110.85 3adn s TYR 26 Ca -0.06 1.03 -0.18 0.00 -2.44 0.00 0.00 57.07 55.43 3adn s TYR 26 Cb 0.09 0.40 0.07 0.00 0.35 0.00 0.00 41.96 42.88 3adn s TYR 26 CO 0.83 -0.44 0.67 -1.58 -1.34 0.00 0.00 175.55 173.69 3adn s HIS 27 N -0.83 -0.93 -0.25 4.97 2.46 -1.25 -1.58 115.29 117.88 3adn s HIS 27 Ca -0.05 1.98 -0.02 0.00 0.47 0.00 0.00 55.06 57.44 3adn s HIS 27 Cb -0.01 0.49 0.13 0.00 -0.13 0.00 0.00 32.58 33.05 3adn s HIS 27 CO 0.04 -0.46 0.33 -2.00 -2.47 0.00 0.00 174.74 170.18 3adn s GLU 28 N 1.19 0.31 -0.18 2.88 2.12 -0.52 -5.00 118.70 119.50 3adn s GLU 28 Ca -0.07 0.30 -0.08 0.00 0.36 0.00 0.00 54.97 55.48 3adn s GLU 28 Cb -0.05 -0.67 -0.05 0.00 0.26 0.00 0.00 34.13 33.62 3adn s GLU 28 CO -0.12 -0.75 0.11 0.21 -0.54 0.00 0.00 175.26 174.16 3adn s LYS 29 N 2.46 3.96 -0.04 4.30 2.20 -1.26 -1.96 119.74 129.40 3adn s LYS 29 Ca 0.10 -0.24 0.06 0.00 -0.36 0.00 0.00 55.97 55.53 3adn s LYS 29 Cb -0.15 -3.30 0.09 0.00 -1.51 0.00 0.00 37.83 32.96 3adn s LYS 29 CO -0.19 0.39 0.96 2.41 -0.36 0.00 0.00 175.35 178.56 3adn n THR 30 N 3.20 0.69 0.00 3.43 -1.04 0.24 -4.94 114.28 115.85 3adn n THR 30 Ca -0.17 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.04 3adn n THR 30 Cb 0.53 0.37 0.00 0.00 -1.82 0.00 0.00 70.33 69.41 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 -0.49 0.00 -0.08 8.00 -0.08 -1.26 -4.10 116.55 118.54 3adn n ASP 31 Ca 0.05 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.26 3adn n ASP 31 Cb 0.59 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.91 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 -4.67 -0.67 -0.00 -1.26 -4.97 115.22 103.64 3adn n HIS 32 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.43 3adn n HIS 32 Cb 0.00 -0.81 -0.14 0.00 -0.00 0.00 0.00 29.99 29.04 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 -2.50 1.60 -0.45 -0.41 -1.52 -1.26 -5.00 119.66 110.12 3adn s GLN 33 Ca -0.08 -1.20 0.07 0.00 -1.95 0.00 0.00 55.36 52.20 3adn s GLN 33 Cb 0.06 -1.90 0.25 0.00 -0.22 0.00 0.00 33.01 31.19 3adn s GLN 33 CO 0.72 0.47 0.76 -3.47 -0.25 0.00 0.00 175.29 173.52 3adn n ASP 34 N 1.42 -1.79 -4.60 5.90 4.64 -1.22 0.82 116.55 121.72 3adn n ASP 34 Ca -0.17 -3.10 -0.41 0.00 -1.38 0.00 0.00 54.79 49.73 3adn n ASP 34 Cb 0.52 0.95 -0.07 0.00 -1.04 0.00 0.00 41.12 41.49 3adn n ASP 34 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3adn s LEU 35 N -0.91 4.16 -0.02 -2.67 0.20 -0.83 -2.70 118.68 115.92 3adn s LEU 35 Ca 0.33 0.36 0.05 0.00 0.69 0.00 0.00 54.13 55.56 3adn s LEU 35 Cb 0.21 -2.72 -0.01 0.00 -0.43 0.00 0.00 46.19 43.24 3adn s LEU 35 CO -0.20 -0.42 -0.16 -0.51 -0.29 0.00 0.00 176.35 174.77 3adn s ILE 36 N 2.48 1.30 -0.43 6.68 2.07 -0.94 -1.44 121.20 130.92 3adn s ILE 36 Ca 0.23 -0.69 0.02 0.00 -1.41 0.00 0.00 60.65 58.79 3adn s ILE 36 Cb -0.15 -1.09 0.13 0.00 0.13 0.00 0.00 42.46 41.48 3adn s ILE 36 CO 0.11 0.37 0.23 -0.63 -1.91 0.00 0.00 174.94 173.11 3adn s ILE 37 N -0.30 1.33 0.41 2.00 -1.09 -0.61 -0.33 121.20 122.61 3adn s ILE 37 Ca 0.04 -2.45 0.07 0.00 -2.23 0.00 0.00 60.65 56.09 3adn s ILE 37 Cb -0.07 -1.94 -0.04 0.00 -1.58 0.00 0.00 42.46 38.83 3adn s ILE 37 CO -0.00 -0.88 0.23 0.72 -1.23 0.00 0.00 174.94 173.78 3adn s PHE 38 N 0.46 2.64 -0.06 3.97 -0.71 -1.10 -1.33 117.98 121.86 3adn s PHE 38 Ca 0.17 -0.55 -0.03 0.00 -1.04 0.00 0.00 56.93 55.48 3adn s PHE 38 Cb -0.24 -2.00 -0.04 0.00 -1.21 0.00 0.00 43.02 39.53 3adn s PHE 38 CO -0.01 0.11 0.10 -1.21 -1.34 0.00 0.00 175.22 172.87 3adn s GLU 39 N -3.96 3.21 -0.00 1.99 2.02 0.37 -0.90 118.70 121.43 3adn s GLU 39 Ca 0.43 -0.34 0.02 0.00 0.02 0.00 0.00 54.97 55.10 3adn s GLU 39 Cb 0.02 -2.98 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 3adn s GLU 39 CO 0.24 0.70 -0.07 1.21 0.02 0.00 0.00 175.26 177.36 3adn s ASN 40 N -1.38 0.79 0.13 -0.19 3.04 -0.07 -1.56 114.94 115.70 3adn s ASN 40 Ca 0.19 -0.13 -0.20 0.00 0.04 0.00 0.00 52.86 52.76 3adn s ASN 40 Cb -0.12 -0.09 -0.02 0.00 -1.54 0.00 0.00 41.25 39.49 3adn s ASN 40 CO 0.09 0.08 1.69 0.00 -3.04 0.00 0.00 177.10 175.92 3adn h ALA 41 N 5.95 0.08 -0.25 1.71 0.00 -1.88 1.15 119.26 126.03 3adn h ALA 41 Ca -0.29 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 3adn h ALA 41 Cb 1.19 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3adn h ALA 41 CO 0.50 -0.51 -0.62 0.00 0.00 0.00 0.00 179.25 178.62 3adn h ALA 42 N 1.12 0.41 -0.07 0.00 0.00 -1.97 -3.37 119.26 115.38 3adn h ALA 42 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3adn h ALA 42 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3adn h ALA 42 CO -0.23 0.68 0.00 1.19 0.00 0.00 0.00 179.25 180.89 3adn n PHE 43 N -3.99 0.09 -2.78 0.00 3.72 -1.14 -5.00 117.46 108.36 3adn n PHE 43 Ca -0.05 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 3adn n PHE 43 Cb 0.66 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 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 0.24 2.75 3.69 1.37 0.00 0.39 -3.62 105.19 110.01 3adn n GLY 44 Ca 0.05 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3adn n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3adn s ARG 45 N 0.00 4.30 -0.16 1.61 3.00 -1.26 -0.89 118.95 125.54 3adn s ARG 45 Ca 0.00 1.90 0.02 0.00 0.00 0.00 0.00 55.73 57.65 3adn s ARG 45 Cb 0.00 -3.56 0.01 0.00 0.00 0.00 0.00 34.95 31.40 3adn s ARG 45 CO 0.00 -0.54 -0.20 0.08 0.00 0.00 0.00 175.30 174.63 3adn s VAL 46 N 2.32 2.12 -0.19 3.52 1.01 -0.08 -1.80 120.40 127.30 3adn s VAL 46 Ca 0.62 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 3adn s VAL 46 Cb -0.30 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3adn s VAL 46 CO 0.26 0.54 0.31 -0.32 0.00 0.00 0.00 175.10 175.88 3adn s MET 47 N 1.06 4.20 0.21 2.72 1.75 -0.69 -2.70 119.30 125.85 3adn s MET 47 Ca -0.01 0.07 0.10 0.00 -1.25 0.00 0.00 55.69 54.60 3adn s MET 47 Cb -0.14 -3.49 -0.05 0.00 2.84 0.00 0.00 34.83 34.00 3adn s MET 47 CO -0.07 0.11 -0.19 0.00 -0.65 0.00 0.00 175.02 174.21 3adn s ALA 48 N 0.88 2.34 -0.27 4.11 0.00 0.56 0.84 121.76 130.22 3adn s ALA 48 Ca 0.16 -1.67 -0.05 0.00 0.00 0.00 0.00 51.96 50.40 3adn s ALA 48 Cb -0.14 -0.22 0.14 0.00 0.00 0.00 0.00 23.12 22.91 3adn s ALA 48 CO 0.05 0.26 0.53 -1.17 0.00 0.00 0.00 175.76 175.43 3adn s LEU 49 N -3.04 -1.02 -1.39 0.00 2.96 -0.46 -2.22 118.68 113.51 3adn s LEU 49 Ca 0.22 0.95 -0.09 0.00 -0.22 0.00 0.00 54.13 55.00 3adn s LEU 49 Cb -0.05 1.82 0.06 0.00 0.50 0.00 0.00 46.19 48.52 3adn s LEU 49 CO 0.10 -0.25 0.58 0.47 -1.32 0.00 0.00 176.35 175.92 3adn n ASP 50 N 5.41 -4.51 0.00 3.68 8.00 -1.10 -1.78 116.55 126.26 3adn n ASP 50 Ca -0.06 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.04 3adn n ASP 50 Cb 0.50 -3.68 0.00 0.00 -0.02 0.00 0.00 41.12 37.92 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 -1.33 2.04 3.68 0.44 0.00 -1.26 -4.80 105.19 103.96 3adn n GLY 51 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3adn n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3adn s VAL 52 N -2.35 4.22 -0.05 1.61 0.11 -0.73 -0.23 120.40 122.97 3adn s VAL 52 Ca 0.00 -0.43 -0.30 0.00 -2.93 0.00 0.00 61.98 58.32 3adn s VAL 52 Cb 0.00 -2.82 -0.04 0.00 -1.53 0.00 0.00 36.38 31.99 3adn s VAL 52 CO 0.00 0.49 1.23 -0.69 -3.33 0.00 0.00 175.10 172.80 3adn s VAL 53 N -0.98 4.18 0.00 2.04 1.01 -1.26 -1.36 120.40 124.03 3adn s VAL 53 Ca 0.16 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.65 3adn s VAL 53 Cb -0.11 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3adn s VAL 53 CO 0.06 -0.00 0.13 0.00 0.00 0.00 0.00 175.10 175.29 3adn n GLN 54 N 5.24 0.00 -4.27 2.72 1.13 0.25 -4.95 117.38 117.50 3adn n GLN 54 Ca 0.11 0.11 -0.18 0.00 -1.94 0.00 0.00 57.00 55.10 3adn n GLN 54 Cb 0.46 -0.72 -0.08 0.00 0.11 0.00 0.00 30.24 30.01 3adn n GLN 54 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3adn s THR 55 N -0.48 0.00 -0.09 5.09 -4.23 -1.23 -5.00 115.64 109.70 3adn s THR 55 Ca 0.00 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 3adn s THR 55 Cb 0.00 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.37 3adn s THR 55 CO 0.00 0.00 0.37 -0.89 -0.54 0.00 0.00 174.62 173.56 3adn s THR 56 N -3.56 0.02 0.44 3.99 2.01 -1.26 -1.70 115.64 115.58 3adn s THR 56 Ca 0.40 -0.17 -0.14 0.00 0.31 0.00 0.00 61.69 62.10 3adn s THR 56 Cb 0.03 -0.58 -0.07 0.00 0.01 0.00 0.00 72.50 71.89 3adn s THR 56 CO 0.25 -0.09 0.85 -1.83 -0.69 0.00 0.00 174.62 173.11 3adn s GLU 57 N -0.38 3.89 0.00 4.92 -1.05 -0.74 -1.55 118.70 123.78 3adn s GLU 57 Ca -0.05 0.70 0.00 0.00 -0.15 0.00 0.00 54.97 55.47 3adn s GLU 57 Cb -0.03 -2.29 0.00 0.00 -0.44 0.00 0.00 34.13 31.36 3adn s GLU 57 CO 0.02 -0.10 0.00 -2.13 0.95 0.00 0.00 175.26 174.00 3adn n ARG 58 N -1.27 0.00 0.00 -4.83 0.63 -1.26 -4.38 116.66 105.55 3adn n ARG 58 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 3adn n ARG 58 Cb 0.54 -2.73 0.00 0.00 0.45 0.00 0.00 32.46 30.71 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 0.00 0.89 -0.08 6.15 2.03 -1.21 -4.89 116.55 119.44 3adn n ASP 59 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 3adn n ASP 59 Cb 0.00 0.17 0.21 0.00 -0.72 0.00 0.00 41.12 40.78 3adn n ASP 59 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3adn h GLU 60 N 0.00 0.72 -0.61 -0.67 9.09 -1.54 -3.24 114.58 118.33 3adn h GLU 60 Ca 0.00 -0.17 0.13 0.00 0.05 0.00 0.00 59.36 59.37 3adn h GLU 60 Cb 0.01 -0.10 -0.11 0.00 -1.65 0.00 0.00 28.75 26.90 3adn h GLU 60 CO 0.00 0.71 -0.07 0.27 0.05 0.00 0.00 179.01 179.97 3adn h PHE 61 N 0.68 -0.18 -0.73 2.06 -0.00 -1.90 0.30 116.94 117.17 3adn h PHE 61 Ca 0.14 0.05 0.16 0.00 -0.00 0.00 0.00 57.97 58.32 3adn h PHE 61 Cb 0.38 0.17 -0.13 0.00 -0.00 0.00 0.00 35.95 36.37 3adn h PHE 61 CO 0.02 -0.21 -0.02 0.82 -0.00 0.00 0.00 178.31 178.92 3adn h ILE 62 N 0.05 0.35 0.19 0.88 2.04 -1.95 2.00 117.51 121.08 3adn h ILE 62 Ca 0.31 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 3adn h ILE 62 Cb 0.49 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3adn h ILE 62 CO -0.57 0.02 -0.09 0.22 0.00 0.00 0.00 178.15 177.72 3adn h TYR 63 N 0.09 -0.24 -0.00 1.37 3.20 -0.97 -2.36 116.97 118.06 3adn h TYR 63 Ca 0.39 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.26 3adn h TYR 63 Cb 0.67 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 3adn h TYR 63 CO -0.43 -0.15 0.04 0.45 -1.64 0.00 0.00 178.16 176.43 3adn h HIS 64 N -0.49 0.00 0.13 -3.82 3.86 -0.21 -1.11 115.15 113.51 3adn h HIS 64 Ca -0.03 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.98 3adn h HIS 64 Cb 0.20 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.68 3adn h HIS 64 CO 0.06 0.00 -0.95 1.49 0.86 0.00 0.00 177.93 179.39 3adn h GLU 65 N 0.00 0.28 -0.00 2.45 4.81 0.31 -3.30 114.58 119.13 3adn h GLU 65 Ca 0.00 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3adn h GLU 65 Cb 0.09 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3adn h GLU 65 CO -0.00 1.23 -0.01 -1.33 -0.73 0.00 0.00 179.01 178.17 3adn n MET 66 N -4.09 0.30 0.01 1.92 2.81 -0.66 -3.04 117.12 114.36 3adn n MET 66 Ca -0.17 -0.01 0.11 0.00 -1.81 0.00 0.00 57.70 55.83 3adn n MET 66 Cb 0.83 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.71 3adn n MET 66 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3adn n MET 67 N -1.34 0.60 -0.09 0.03 2.81 -0.51 -4.42 117.12 114.19 3adn n MET 67 Ca 0.12 -0.13 -0.09 0.00 -1.81 0.00 0.00 57.70 55.79 3adn n MET 67 Cb 0.27 -1.57 -0.03 0.00 -0.71 0.00 0.00 33.22 31.18 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 -2.28 1.49 -0.20 2.03 5.66 -1.22 -4.62 114.28 115.14 3adn n THR 68 Ca -0.03 0.14 0.03 0.00 -3.05 0.00 0.00 64.05 61.14 3adn n THR 68 Cb 0.55 -2.35 0.29 0.00 -1.55 0.00 0.00 70.33 67.27 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 -1.00 0.88 -0.46 1.09 -0.00 -1.82 -1.14 115.15 112.71 3adn h HIS 69 Ca -0.01 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.44 3adn h HIS 69 Cb 0.97 -0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 28.04 3adn h HIS 69 CO -0.41 0.52 0.18 0.28 -0.00 0.00 0.00 177.93 178.50 3adn h VAL 70 N 0.92 0.88 0.25 2.45 2.07 -1.80 0.25 116.25 121.28 3adn h VAL 70 Ca 0.29 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 3adn h VAL 70 Cb 0.02 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3adn h VAL 70 CO -0.08 0.07 -0.12 -0.65 0.02 0.00 0.00 177.57 176.81 3adn h PRO 71 N 0.37 -0.32 -1.08 1.57 0.11 -1.71 -0.20 132.00 130.73 3adn h PRO 71 Ca 0.21 0.02 0.29 0.00 0.11 0.00 0.00 66.00 66.64 3adn h PRO 71 Cb 0.19 0.07 -0.10 0.00 0.11 0.00 0.00 31.00 31.27 3adn h PRO 71 CO -0.20 -0.22 0.69 -0.07 -0.21 0.00 0.00 178.00 178.00 3adn h LEU 72 N -0.75 0.42 0.01 2.35 4.07 -1.21 0.75 115.31 120.95 3adn h LEU 72 Ca -0.03 0.10 -0.26 0.00 0.08 0.00 0.00 57.88 57.76 3adn h LEU 72 Cb 0.26 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.99 3adn h LEU 72 CO 0.06 0.04 -1.42 -0.07 -1.08 0.00 0.00 178.44 175.96 3adn h LEU 73 N 0.35 0.02 -0.21 1.67 4.07 -0.60 -3.32 115.31 117.29 3adn h LEU 73 Ca 0.64 -0.03 -0.17 0.00 0.08 0.00 0.00 57.88 58.39 3adn h LEU 73 Cb 1.67 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.41 3adn h LEU 73 CO -0.33 1.02 -0.55 0.00 -1.08 0.00 0.00 178.44 177.50 3adn h ALA 74 N 0.97 0.35 -2.22 1.53 0.00 0.12 -3.41 119.26 116.59 3adn h ALA 74 Ca -0.18 -0.52 -0.55 0.00 0.00 0.00 0.00 54.91 53.67 3adn h ALA 74 Cb 1.92 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 3adn h ALA 74 CO 0.10 0.56 1.12 -1.58 0.00 0.00 0.00 179.25 179.45 3adn s HIS 75 N -3.96 1.92 0.00 0.00 5.65 0.23 -4.91 115.29 114.22 3adn s HIS 75 Ca -0.11 0.22 0.00 0.00 0.25 0.00 0.00 55.06 55.41 3adn s HIS 75 Cb 0.08 -3.95 0.00 0.00 -1.18 0.00 0.00 32.58 27.53 3adn s HIS 75 CO 0.87 -3.83 0.66 0.41 -0.65 0.00 0.00 174.74 172.20 3adn n GLY 76 N 4.30 -2.98 2.81 1.59 0.00 -1.26 -4.46 105.19 105.19 3adn n GLY 76 Ca 0.18 0.60 -0.27 0.00 0.00 0.00 0.00 46.02 46.54 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 -2.02 1.20 -0.05 1.61 0.09 -1.26 -4.93 115.29 109.94 3adn s HIS 77 Ca 0.00 -0.76 -0.01 0.00 -0.00 0.00 0.00 55.06 54.30 3adn s HIS 77 Cb 0.00 -1.08 -0.03 0.00 -0.00 0.00 0.00 32.58 31.46 3adn s HIS 77 CO 0.00 -0.53 0.02 0.00 -0.00 0.00 0.00 174.74 174.22 3adn s ALA 78 N 1.80 3.35 0.00 -1.40 0.00 -1.26 -5.01 121.76 119.23 3adn s ALA 78 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.11 3adn s ALA 78 Cb -0.15 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.51 3adn s ALA 78 CO -0.07 0.62 0.00 1.63 0.00 0.00 0.00 175.76 177.94 3adn n LYS 79 N 1.74 2.83 -4.06 0.00 5.02 -1.26 -4.30 118.16 118.12 3adn n LYS 79 Ca -0.16 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.90 3adn n LYS 79 Cb 0.53 -0.94 -0.17 0.00 -0.02 0.00 0.00 35.03 34.44 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 -1.84 0.91 0.05 2.13 3.76 -1.26 -1.27 115.29 117.78 3adn s HIS 80 Ca 0.00 -0.31 0.07 0.00 -0.15 0.00 0.00 55.06 54.67 3adn s HIS 80 Cb 0.00 -0.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.82 3adn s HIS 80 CO 0.00 -0.29 -0.16 0.08 -0.85 0.00 0.00 174.74 173.52 3adn s VAL 81 N 1.30 2.93 -0.16 -0.90 1.01 0.23 -0.80 120.40 124.01 3adn s VAL 81 Ca -0.05 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 60.75 3adn s VAL 81 Cb -0.14 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.99 3adn s VAL 81 CO -0.02 0.29 -0.21 -0.22 0.00 0.00 0.00 175.10 174.94 3adn s LEU 82 N -1.60 2.13 -0.13 3.92 1.98 0.17 -0.88 118.68 124.28 3adn s LEU 82 Ca 0.16 -0.62 -0.04 0.00 -2.89 0.00 0.00 54.13 50.73 3adn s LEU 82 Cb -0.11 -1.47 -0.04 0.00 0.66 0.00 0.00 46.19 45.24 3adn s LEU 82 CO 0.07 0.04 0.03 -0.63 -1.89 0.00 0.00 176.35 173.97 3adn s ILE 83 N 1.05 4.53 -0.30 6.68 -1.09 0.19 0.29 121.20 132.54 3adn s ILE 83 Ca -0.01 -0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.25 3adn s ILE 83 Cb -0.14 -2.96 0.09 0.00 -1.58 0.00 0.00 42.46 37.87 3adn s ILE 83 CO -0.07 0.55 0.08 -0.63 -1.23 0.00 0.00 174.94 173.64 3adn s ILE 84 N -0.34 0.96 0.00 2.92 1.01 0.18 -1.09 121.20 124.83 3adn s ILE 84 Ca 0.08 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.36 3adn s ILE 84 Cb -0.12 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.68 3adn s ILE 84 CO 0.02 -0.60 0.00 0.61 0.00 0.00 0.00 174.94 174.97 3adn n GLY 85 N 4.82 0.05 3.04 6.18 0.00 -1.22 0.20 105.19 118.26 3adn n GLY 85 Ca -0.03 -2.14 -0.01 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.01 0.11 -0.02 0.00 -1.26 -4.81 105.19 98.20 3adn n GLY 86 Ca 0.00 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 1.74 -0.82 0.25 -0.02 0.00 -1.26 -3.97 105.19 101.11 3adn n GLY 87 Ca -0.04 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 0.54 0.00 0.00 1.61 2.03 -1.90 -3.40 116.42 115.30 3adn h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3adn h ASP 88 Cb 0.55 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.05 3adn h ASP 88 CO 0.00 0.12 0.00 0.61 -1.03 0.00 0.00 179.24 178.94 3adn n GLY 89 N 0.06 0.98 0.14 7.15 0.00 -1.25 -1.60 105.19 110.66 3adn n GLY 89 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 0.34 -0.02 4.61 0.00 -1.85 -0.65 119.26 121.69 3adn h ALA 90 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3adn h ALA 90 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3adn h ALA 90 CO 0.00 -0.28 0.02 1.98 0.00 0.00 0.00 179.25 180.97 3adn h MET 91 N 0.25 0.00 0.15 0.00 -1.53 -1.88 -3.06 114.93 108.86 3adn h MET 91 Ca 0.13 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.38 3adn h MET 91 Cb 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.14 3adn h MET 91 CO -0.12 0.00 -0.07 1.25 0.14 0.00 0.00 176.91 178.11 3adn h LEU 92 N 0.00 -0.17 -1.53 3.39 5.85 -1.47 -3.15 115.31 118.24 3adn h LEU 92 Ca 0.01 -0.38 0.16 0.00 0.84 0.00 0.00 57.88 58.51 3adn h LEU 92 Cb 0.05 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 3adn h LEU 92 CO -0.00 0.39 0.54 0.08 -0.34 0.00 0.00 178.44 179.11 3adn h ARG 93 N -0.83 0.43 -0.39 1.25 0.11 -1.35 0.22 114.38 113.81 3adn h ARG 93 Ca -0.02 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.01 3adn h ARG 93 Cb 0.54 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.50 3adn h ARG 93 CO 0.03 0.29 0.16 0.93 0.10 0.00 0.00 179.97 181.48 3adn h GLU 94 N 0.45 0.58 -0.17 0.08 4.39 -1.63 -2.61 114.58 115.66 3adn h GLU 94 Ca 0.41 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 3adn h GLU 94 Cb 0.93 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 3adn h GLU 94 CO -0.15 0.54 0.10 0.28 -1.16 0.00 0.00 179.01 178.62 3adn h VAL 95 N 0.48 1.09 -0.48 3.13 2.07 -0.78 -2.49 116.25 119.27 3adn h VAL 95 Ca 0.13 -0.24 0.14 0.00 0.82 0.00 0.00 66.70 67.55 3adn h VAL 95 Cb 0.18 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3adn h VAL 95 CO -0.01 0.08 0.73 0.74 0.02 0.00 0.00 177.57 179.13 3adn h THR 96 N 0.18 0.14 0.00 2.57 2.02 -0.35 -0.31 112.91 117.16 3adn h THR 96 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3adn h THR 96 Cb 0.05 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3adn h THR 96 CO -0.01 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.42 3adn n ARG 97 N -3.26 0.31 -3.08 6.66 1.74 -0.94 -4.58 116.66 113.52 3adn n ARG 97 Ca 0.10 0.02 -0.45 0.00 -0.77 0.00 0.00 57.85 56.75 3adn n ARG 97 Cb 0.90 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.80 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 -2.67 3.03 0.44 -1.55 3.76 -0.13 -4.94 115.29 113.23 3adn s HIS 98 Ca 0.24 -1.05 0.20 0.00 -0.15 0.00 0.00 55.06 54.31 3adn s HIS 98 Cb 0.19 -4.06 1.16 0.00 1.11 0.00 0.00 32.58 30.98 3adn s HIS 98 CO 0.46 -1.34 1.85 0.87 -0.85 0.00 0.00 174.74 175.73 3adn h LYS 99 N 9.08 0.32 0.00 1.40 1.57 -1.87 -1.58 116.57 125.49 3adn h LYS 99 Ca -0.21 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3adn h LYS 99 Cb 1.07 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.31 3adn h LYS 99 CO 1.08 0.21 0.00 0.09 -0.57 0.00 0.00 179.45 180.26 3adn n ASN 100 N -4.48 0.69 -4.61 0.86 3.02 -1.26 -4.66 115.26 104.82 3adn n ASN 100 Ca 0.20 0.63 -0.43 0.00 -0.03 0.00 0.00 54.58 54.95 3adn n ASN 100 Cb 0.76 -0.79 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 3adn n ASN 100 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3adn s VAL 101 N -3.24 4.30 -1.81 2.41 1.01 -0.59 -4.71 120.40 117.77 3adn s VAL 101 Ca 0.06 1.37 0.24 0.00 0.00 0.00 0.00 61.98 63.66 3adn s VAL 101 Cb 0.10 -4.55 0.10 0.00 0.00 0.00 0.00 36.38 32.04 3adn s VAL 101 CO 0.46 -0.85 1.30 -1.84 0.00 0.00 0.00 175.10 174.17 3adn n GLU 102 N 7.54 0.93 -3.67 2.72 0.28 -0.40 -4.91 120.64 123.13 3adn n GLU 102 Ca 0.12 -0.68 -0.09 0.00 -0.16 0.00 0.00 57.16 56.35 3adn n GLU 102 Cb 0.48 -1.49 -0.09 0.00 1.43 0.00 0.00 31.44 31.77 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 -2.54 -0.56 0.04 -1.84 0.15 -0.84 -4.80 113.70 103.31 3adn s SER 103 Ca 0.20 1.06 0.05 0.00 0.70 0.00 0.00 55.95 57.97 3adn s SER 103 Cb 0.18 1.11 -0.02 0.00 -1.71 0.00 0.00 66.02 65.58 3adn s SER 103 CO 0.57 -0.21 -0.15 -0.63 1.20 0.00 0.00 173.24 174.01 3adn s ILE 104 N 1.83 1.23 -0.06 6.45 1.01 -0.64 0.76 121.20 131.78 3adn s ILE 104 Ca -0.07 -1.06 -0.03 0.00 0.00 0.00 0.00 60.65 59.48 3adn s ILE 104 Cb -0.09 -1.11 0.04 0.00 0.01 0.00 0.00 42.46 41.31 3adn s ILE 104 CO -0.14 0.03 0.15 -0.89 0.00 0.00 0.00 174.94 174.08 3adn s THR 105 N -0.86 -0.05 -0.16 2.92 2.01 -0.06 -3.21 115.64 116.23 3adn s THR 105 Ca 0.03 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.14 3adn s THR 105 Cb -0.08 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 3adn s THR 105 CO 0.01 0.07 0.03 -0.32 -0.69 0.00 0.00 174.62 173.72 3adn s MET 106 N 1.11 3.79 -0.42 4.92 1.75 -1.18 0.54 119.30 129.82 3adn s MET 106 Ca -0.09 -0.39 -0.01 0.00 -1.25 0.00 0.00 55.69 53.96 3adn s MET 106 Cb -0.11 -3.09 0.11 0.00 2.84 0.00 0.00 34.83 34.58 3adn s MET 106 CO -0.06 0.32 0.19 0.08 -0.65 0.00 0.00 175.02 174.90 3adn s VAL 107 N 0.21 3.01 0.36 10.11 1.01 -0.25 -0.69 120.40 134.16 3adn s VAL 107 Ca 0.02 -2.30 0.09 0.00 0.00 0.00 0.00 61.98 59.79 3adn s VAL 107 Cb -0.13 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 3adn s VAL 107 CO 0.01 -0.69 0.02 -0.70 0.00 0.00 0.00 175.10 173.74 3adn s GLU 108 N 0.87 2.06 -0.01 2.72 2.56 0.25 -3.45 118.70 123.70 3adn s GLU 108 Ca 0.10 -1.82 -0.21 0.00 0.00 0.00 0.00 54.97 53.04 3adn s GLU 108 Cb -0.22 -1.88 -0.22 0.00 2.00 0.00 0.00 34.13 33.81 3adn s GLU 108 CO -0.05 0.08 1.11 0.82 -0.56 0.00 0.00 175.26 176.66 3adn h ILE 109 N 1.78 1.45 -3.03 -3.70 5.03 -1.91 -3.32 117.51 113.82 3adn h ILE 109 Ca -0.43 -1.96 -0.24 0.00 -0.12 0.00 0.00 64.86 62.12 3adn h ILE 109 Cb 1.25 2.56 -0.33 0.00 -3.03 0.00 0.00 36.82 37.27 3adn h ILE 109 CO 0.69 0.56 -0.56 1.51 -0.68 0.00 0.00 178.15 179.67 3adn s ASP 110 N -6.55 0.26 0.00 1.72 3.84 -1.26 -4.90 116.67 109.78 3adn s ASP 110 Ca -0.14 0.46 0.00 0.00 -0.00 0.00 0.00 52.55 52.86 3adn s ASP 110 Cb 0.03 0.43 0.00 0.00 -1.38 0.00 0.00 42.92 42.00 3adn s ASP 110 CO 0.79 -0.21 0.58 0.00 -0.00 0.00 0.00 175.17 176.33 3adn n ALA 111 N 4.91 1.03 0.14 2.11 0.00 -1.26 -1.27 120.51 126.16 3adn n ALA 111 Ca -0.13 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.40 3adn n ALA 111 Cb 0.51 -0.78 0.05 0.00 0.00 0.00 0.00 19.45 19.22 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 0.00 0.00 1.38 0.00 0.00 -2.00 -3.30 103.07 99.16 3adn h GLY 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3adn h GLY 112 CO 0.00 0.00 -0.45 1.55 0.00 0.00 0.00 176.54 177.64 3adn n VAL 113 N -2.92 0.41 0.07 4.60 3.14 -0.40 -2.69 118.33 120.54 3adn n VAL 113 Ca 0.00 -0.27 -0.20 0.00 -2.96 0.00 0.00 64.34 60.92 3adn n VAL 113 Cb 0.61 -0.24 -0.15 0.00 -1.06 0.00 0.00 33.84 33.00 3adn n VAL 113 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 3adn h VAL 114 N 0.00 1.04 0.00 1.55 -1.51 -1.70 -2.09 116.25 113.54 3adn h VAL 114 Ca 0.00 -2.65 0.00 0.00 -1.23 0.00 0.00 66.70 62.82 3adn h VAL 114 Cb 0.74 2.76 0.00 0.00 -2.13 0.00 0.00 31.29 32.65 3adn h VAL 114 CO 0.00 0.83 0.00 0.77 -1.23 0.00 0.00 177.57 177.94 3adn h SER 115 N 0.09 0.00 -0.01 4.19 4.64 -1.66 0.27 113.55 121.06 3adn h SER 115 Ca -0.30 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.96 3adn h SER 115 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 3adn h SER 115 CO 0.17 0.00 -0.24 0.15 -0.87 0.00 0.00 176.83 176.04 3adn h PHE 116 N 0.00 0.27 -0.16 4.77 3.57 -1.54 -2.89 116.94 120.96 3adn h PHE 116 Ca 0.00 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.25 3adn h PHE 116 Cb 0.83 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3adn h PHE 116 CO 0.00 0.92 -0.38 0.00 -2.23 0.00 0.00 178.31 176.62 3adn n ARG 118 N -4.04 0.13 -0.10 0.00 0.63 0.92 -0.93 116.66 113.27 3adn n ARG 118 Ca -0.01 0.48 -0.15 0.00 -0.92 0.00 0.00 57.85 57.25 3adn n ARG 118 Cb 0.47 -1.81 -0.06 0.00 0.45 0.00 0.00 32.46 31.52 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 -2.06 0.53 0.00 -0.14 7.27 -0.57 -4.12 117.38 118.29 3adn n GLN 119 Ca 0.01 0.34 0.13 0.00 0.07 0.00 0.00 57.00 57.55 3adn n GLN 119 Cb 0.13 -1.55 0.36 0.00 2.41 0.00 0.00 30.24 31.60 3adn n GLN 119 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3adn n TYR 120 N -4.44 0.00 -3.06 3.69 4.01 -0.71 -4.13 117.16 112.52 3adn n TYR 120 Ca -0.25 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.33 3adn n TYR 120 Cb 0.57 -0.32 -0.02 0.00 -0.31 0.00 0.00 39.34 39.26 3adn n TYR 120 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3adn n LEU 121 N -1.49 1.03 -0.35 7.72 4.77 -0.10 -4.93 117.00 123.65 3adn n LEU 121 Ca 0.06 -4.71 0.15 0.00 -0.03 0.00 0.00 56.01 51.48 3adn n LEU 121 Cb 0.34 0.63 0.35 0.00 -2.33 0.00 0.00 43.42 42.41 3adn n LEU 121 CO 0.32 2.12 1.18 1.55 -1.33 0.00 0.00 177.39 181.23 3adn h PRO 122 N 3.00 0.66 -0.37 3.23 0.13 -1.71 -2.17 132.00 134.76 3adn h PRO 122 Ca 0.05 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 65.15 3adn h PRO 122 Cb 1.01 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 3adn h PRO 122 CO 0.50 0.44 0.25 -0.91 -0.23 0.00 0.00 178.00 178.05 3adn h ASN 123 N 0.68 0.41 -0.03 1.44 2.35 -1.91 0.11 115.58 118.64 3adn h ASN 123 Ca 0.61 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.34 3adn h ASN 123 Cb 1.04 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.31 3adn h ASN 123 CO -0.43 0.30 -0.01 0.45 -1.65 0.00 0.00 177.43 176.09 3adn h HIS 124 N 0.49 0.07 -0.02 1.19 3.86 -1.62 -3.08 115.15 116.03 3adn h HIS 124 Ca 0.14 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 3adn h HIS 124 Cb -0.03 -0.02 -0.05 0.00 1.06 0.00 0.00 27.41 28.37 3adn h HIS 124 CO -0.00 0.47 -0.30 -0.97 0.86 0.00 0.00 177.93 177.99 3adn h ASN 125 N -0.35 -0.89 -2.13 2.45 -0.73 -1.01 -3.11 115.58 109.82 3adn h ASN 125 Ca 0.01 0.12 -0.34 0.00 1.87 0.00 0.00 56.30 57.95 3adn h ASN 125 Cb 0.45 0.36 -0.04 0.00 0.27 0.00 0.00 38.32 39.36 3adn h ASN 125 CO 0.00 -0.36 -0.42 0.00 -0.37 0.00 0.00 177.43 176.29 3adn n ALA 126 N -2.74 -0.46 -2.11 1.57 0.00 0.37 -1.58 120.51 115.56 3adn n ALA 126 Ca -0.05 0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 3adn n ALA 126 Cb 0.31 -1.87 -0.02 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.99 0.09 0.12 0.00 0.00 -1.26 -4.89 105.19 98.26 3adn n GLY 127 Ca -0.20 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.61 3adn n GLY 127 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3adn h SER 128 N 0.00 0.00 0.45 1.61 0.87 -1.64 -3.30 113.55 111.53 3adn h SER 128 Ca -0.31 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 3adn h SER 128 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3adn h SER 128 CO 0.38 0.04 0.00 -1.22 -0.53 0.00 0.00 176.83 175.50 3adn n TYR 129 N -2.44 0.00 -0.17 2.24 4.01 -1.26 -2.93 117.16 116.61 3adn n TYR 129 Ca 0.04 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.88 3adn n TYR 129 Cb 0.47 -0.32 0.30 0.00 -0.31 0.00 0.00 39.34 39.48 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 -1.32 3.70 -4.68 7.72 8.00 -1.24 -4.94 116.55 123.79 3adn n ASP 130 Ca 0.09 -2.07 -0.43 0.00 0.71 0.00 0.00 54.79 53.10 3adn n ASP 130 Cb 0.18 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 40.79 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 -0.98 7.10 0.00 -2.24 2.15 -1.15 -4.89 116.67 116.66 3adn s ASP 131 Ca 0.45 1.60 0.00 0.00 0.43 0.00 0.00 52.55 55.03 3adn s ASP 131 Cb 0.24 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 3adn s ASP 131 CO 0.29 -0.60 0.32 -0.81 -0.17 0.00 0.00 175.17 174.19 3adn n PRO 132 N 5.71 0.00 -0.17 4.34 -0.04 -1.26 -0.42 135.00 143.15 3adn n PRO 132 Ca 0.11 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 3adn n PRO 132 Cb 0.47 -1.43 0.15 0.00 -0.04 0.00 0.00 33.50 32.64 3adn n PRO 132 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3adn n ARG 133 N -0.80 2.34 -4.77 0.54 1.74 -1.26 -5.00 116.66 109.45 3adn n ARG 133 Ca 0.00 -2.35 -0.33 0.00 -0.77 0.00 0.00 57.85 54.40 3adn n ARG 133 Cb 0.00 -1.46 -0.13 0.00 -1.02 0.00 0.00 32.46 29.86 3adn n ARG 133 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3adn s PHE 134 N -2.19 2.81 -0.05 -1.55 5.36 0.44 -1.63 117.98 121.18 3adn s PHE 134 Ca 0.27 -0.25 -0.02 0.00 -0.96 0.00 0.00 56.93 55.97 3adn s PHE 134 Cb 0.21 -1.73 0.03 0.00 -0.34 0.00 0.00 43.02 41.20 3adn s PHE 134 CO 0.06 0.10 0.05 0.15 -1.46 0.00 0.00 175.22 174.12 3adn s LYS 135 N -0.39 0.05 0.22 10.12 1.02 -1.20 -4.96 119.74 124.60 3adn s LYS 135 Ca 0.05 0.32 -0.26 0.00 0.02 0.00 0.00 55.97 56.10 3adn s LYS 135 Cb -0.12 -0.59 -0.09 0.00 -0.52 0.00 0.00 37.83 36.51 3adn s LYS 135 CO 0.02 -0.32 0.84 -1.17 -0.92 0.00 0.00 175.35 173.80 3adn s LEU 136 N 2.10 4.53 0.02 3.17 2.96 -1.26 -3.08 118.68 127.12 3adn s LEU 136 Ca 0.05 1.73 0.01 0.00 -0.22 0.00 0.00 54.13 55.69 3adn s LEU 136 Cb -0.12 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 3adn s LEU 136 CO -0.03 0.12 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.38 3adn s VAL 137 N -1.30 0.28 -1.03 1.68 1.01 0.14 -4.96 120.40 116.22 3adn s VAL 137 Ca 0.41 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 3adn s VAL 137 Cb -0.22 -0.33 0.32 0.00 0.00 0.00 0.00 36.38 36.15 3adn s VAL 137 CO 0.26 -0.21 1.80 -0.38 0.00 0.00 0.00 175.10 176.57 3adn n ILE 138 N 2.21 6.05 0.00 2.22 2.08 -1.25 -0.58 119.36 130.09 3adn n ILE 138 Ca -0.18 -5.99 0.00 0.00 0.56 0.00 0.00 62.75 57.14 3adn n ILE 138 Cb 0.57 -1.59 0.00 0.00 -0.75 0.00 0.00 39.64 37.86 3adn n ILE 138 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3adn n VAL 145 N 0.06 0.00 -2.00 1.39 0.31 -1.26 -4.82 118.33 112.00 3adn n VAL 145 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 3adn n VAL 145 Cb 0.27 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 3adn n VAL 145 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3adn n ASN 146 N 0.00 -4.88 -2.86 4.52 5.15 -1.26 -4.89 115.26 111.04 3adn n ASN 146 Ca 0.00 1.34 -0.02 0.00 -0.60 0.00 0.00 54.58 55.30 3adn n ASN 146 Cb 0.00 -3.44 0.01 0.00 -0.53 0.00 0.00 39.78 35.82 3adn n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3adn s GLN 147 N -0.29 0.80 -0.16 1.20 1.03 -1.26 -4.97 119.66 116.01 3adn s GLN 147 Ca 0.00 -0.64 0.07 0.00 0.04 0.00 0.00 55.36 54.83 3adn s GLN 147 Cb 0.00 0.00 0.47 0.00 0.03 0.00 0.00 33.01 33.51 3adn s GLN 147 CO 0.00 -1.03 1.28 2.41 -2.54 0.00 0.00 175.29 175.41 3adn n THR 148 N 3.32 1.72 -3.93 3.63 -1.04 -1.26 -4.89 114.28 111.83 3adn n THR 148 Ca 0.14 -0.86 -0.29 0.00 -2.04 0.00 0.00 64.05 61.00 3adn n THR 148 Cb 0.58 -0.42 0.01 0.00 -1.82 0.00 0.00 70.33 68.68 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 0.24 -3.26 0.05 8.00 3.41 -1.26 -4.86 113.62 115.94 3adn n SER 149 Ca 0.19 -0.86 0.05 0.00 -0.26 0.00 0.00 58.87 57.99 3adn n SER 149 Cb 0.86 -3.61 -0.06 0.00 -0.26 0.00 0.00 64.21 61.14 3adn n SER 149 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3adn n GLN 150 N -4.52 0.62 -1.68 4.33 6.02 -1.26 -5.08 117.38 115.81 3adn n GLN 150 Ca -0.06 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 3adn n GLN 150 Cb 0.57 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 30.04 3adn n GLN 150 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 3adn n THR 151 N -2.77 -4.20 -4.24 5.09 5.66 -1.25 -5.06 114.28 107.51 3adn n THR 151 Ca -0.06 1.94 -0.16 0.00 -3.05 0.00 0.00 64.05 62.72 3adn n THR 151 Cb 0.73 -2.58 -0.11 0.00 -1.55 0.00 0.00 70.33 66.81 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 -2.57 1.32 -0.04 1.09 0.08 0.84 -4.92 117.98 113.79 3adn s PHE 152 Ca 0.00 -0.64 -0.20 0.00 0.12 0.00 0.00 56.93 56.21 3adn s PHE 152 Cb 0.00 -0.68 -0.32 0.00 -0.57 0.00 0.00 43.02 41.45 3adn s PHE 152 CO 0.00 0.12 0.89 -0.44 -0.10 0.00 0.00 175.22 175.68 3adn h ASP 153 N 3.19 0.55 -3.76 1.36 3.32 -1.29 0.26 116.42 120.05 3adn h ASP 153 Ca -0.38 -0.94 -0.43 0.00 0.02 0.00 0.00 57.03 55.30 3adn h ASP 153 Cb 1.19 -0.18 -0.31 0.00 0.22 0.00 0.00 39.33 40.25 3adn h ASP 153 CO 0.56 1.49 -0.79 -0.69 -1.72 0.00 0.00 179.24 178.09 3adn s VAL 154 N -2.47 0.79 -0.07 -1.35 1.01 -1.21 -1.50 120.40 115.60 3adn s VAL 154 Ca -0.13 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.54 3adn s VAL 154 Cb 0.02 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.68 3adn s VAL 154 CO 0.85 0.25 -0.23 -0.63 0.00 0.00 0.00 175.10 175.35 3adn s ILE 155 N 0.28 1.90 -0.17 2.22 1.01 -0.40 -0.65 121.20 125.39 3adn s ILE 155 Ca -0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 3adn s ILE 155 Cb -0.10 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.74 3adn s ILE 155 CO 0.01 0.53 -0.12 -0.63 0.00 0.00 0.00 174.94 174.72 3adn s ILE 156 N 0.13 2.89 -0.42 2.92 -1.09 0.14 -2.18 121.20 123.60 3adn s ILE 156 Ca -0.11 -0.68 -0.06 0.00 -2.23 0.00 0.00 60.65 57.57 3adn s ILE 156 Cb -0.15 -2.25 0.10 0.00 -1.58 0.00 0.00 42.46 38.58 3adn s ILE 156 CO 0.06 0.49 0.24 -0.55 -1.23 0.00 0.00 174.94 173.95 3adn s SER 157 N 0.97 5.42 0.37 3.58 0.15 -0.19 0.51 113.70 124.50 3adn s SER 157 Ca -0.02 -1.87 -0.10 0.00 0.70 0.00 0.00 55.95 54.67 3adn s SER 157 Cb -0.15 -1.90 -0.06 0.00 -1.71 0.00 0.00 66.02 62.20 3adn s SER 157 CO -0.01 -0.57 0.72 -0.62 1.20 0.00 0.00 173.24 173.96 3adn s ASP 158 N 2.07 6.54 -0.18 5.45 -1.08 0.53 -2.62 116.67 127.37 3adn s ASP 158 Ca 0.06 1.06 -0.29 0.00 -0.52 0.00 0.00 52.55 52.86 3adn s ASP 158 Cb -0.24 -2.29 -0.07 0.00 -1.46 0.00 0.00 42.92 38.87 3adn s ASP 158 CO -0.02 -0.33 2.17 0.00 0.52 0.00 0.00 175.17 177.51 3adn n THR 171 N 7.23 0.00 0.17 0.00 5.66 -1.26 -4.99 114.28 121.09 3adn n THR 171 Ca 0.29 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.37 3adn n THR 171 Cb 0.42 0.00 0.40 0.00 -1.55 0.00 0.00 70.33 69.60 3adn n THR 171 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 3adn h SER 172 N 0.00 0.00 0.64 1.09 4.64 -1.98 0.27 113.55 118.21 3adn h SER 172 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 3adn h SER 172 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3adn h SER 172 CO 0.00 0.00 -1.02 0.00 -0.87 0.00 0.00 176.83 174.94 3adn h ALA 173 N 1.26 0.34 0.09 5.18 0.00 -2.01 -3.32 119.26 120.81 3adn h ALA 173 Ca 0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 3adn h ALA 173 Cb 0.56 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3adn h ALA 173 CO 0.00 0.97 -0.06 0.35 0.00 0.00 0.00 179.25 180.51 3adn h PHE 174 N 0.09 -0.16 -0.97 0.00 3.57 -0.90 -2.87 116.94 115.71 3adn h PHE 174 Ca -0.07 -0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.68 3adn h PHE 174 Cb 1.70 0.06 -0.18 0.00 2.79 0.00 0.00 35.95 40.32 3adn h PHE 174 CO 0.04 -0.09 -0.02 1.88 -2.23 0.00 0.00 178.31 177.89 3adn h TYR 175 N -0.14 -0.12 -0.81 0.41 0.05 -1.71 0.64 116.97 115.29 3adn h TYR 175 Ca -0.01 0.07 0.06 0.00 0.05 0.00 0.00 58.73 58.90 3adn h TYR 175 Cb 0.11 0.21 -0.06 0.00 1.01 0.00 0.00 36.73 38.01 3adn h TYR 175 CO 0.06 -0.41 0.49 1.49 -1.05 0.00 0.00 178.16 178.74 3adn h GLU 176 N 0.02 0.87 -0.44 4.88 4.81 -1.64 0.40 114.58 123.48 3adn h GLU 176 Ca 0.56 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.72 3adn h GLU 176 Cb 1.10 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 3adn h GLU 176 CO -0.91 0.58 0.18 0.78 -0.73 0.00 0.00 179.01 178.90 3adn h GLY 177 N 0.90 0.66 0.56 1.92 0.00 0.50 -2.80 103.07 104.82 3adn h GLY 177 Ca 0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3adn h GLY 177 CO -0.17 0.30 -0.05 0.00 0.00 0.00 0.00 176.54 176.62 3adn h LYS 179 N -0.58 0.44 -0.42 0.00 3.64 -0.74 -0.04 116.57 118.86 3adn h LYS 179 Ca -0.01 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3adn h LYS 179 Cb 0.47 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3adn h LYS 179 CO 0.02 0.29 0.14 0.00 -2.27 0.00 0.00 179.45 177.64 3adn h ARG 180 N 0.45 0.64 -0.00 1.90 3.08 -1.54 -2.81 114.38 116.10 3adn h ARG 180 Ca 0.66 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.57 3adn h ARG 180 Cb 1.47 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.43 3adn h ARG 180 CO -0.44 0.62 -0.00 0.00 -1.07 0.00 0.00 179.97 179.08 3adn s LEU 182 N -2.02 4.27 1.04 0.00 2.96 -0.33 -0.11 118.68 124.48 3adn s LEU 182 Ca 0.44 1.13 -0.14 0.00 -0.22 0.00 0.00 54.13 55.34 3adn s LEU 182 Cb 0.22 -3.52 0.21 0.00 0.50 0.00 0.00 46.19 43.60 3adn s LEU 182 CO 0.36 0.01 1.12 0.20 -1.32 0.00 0.00 176.35 176.72 3adn s ASN 183 N -1.92 2.34 0.24 3.68 -0.87 0.08 -4.79 114.94 113.70 3adn s ASN 183 Ca 0.43 0.94 -0.15 0.00 -1.57 0.00 0.00 52.86 52.51 3adn s ASN 183 Cb -0.14 -1.45 0.30 0.00 -0.02 0.00 0.00 41.25 39.94 3adn s ASN 183 CO 0.20 -3.28 1.56 -0.65 -2.57 0.00 0.00 177.10 172.36 3adn h PRO 184 N -2.00 -0.02 0.00 -0.60 0.11 -1.96 -3.08 132.00 124.45 3adn h PRO 184 Ca -0.51 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3adn h PRO 184 Cb 1.32 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.37 3adn h PRO 184 CO 0.52 -0.01 -0.43 0.41 -0.21 0.00 0.00 178.00 178.28 3adn n GLY 185 N -1.52 3.82 2.89 -0.55 0.00 -1.26 -4.74 105.19 103.83 3adn n GLY 185 Ca 0.11 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 3adn n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3adn n GLY 186 N -0.82 -2.75 3.23 -0.02 0.00 -1.17 -4.57 105.19 99.08 3adn n GLY 186 Ca 0.14 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 3adn n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3adn s ILE 187 N -2.62 1.42 -0.11 -0.61 1.09 -0.56 -4.33 121.20 115.48 3adn s ILE 187 Ca 0.59 -1.42 0.02 0.00 -1.10 0.00 0.00 60.65 58.73 3adn s ILE 187 Cb -0.06 -1.32 -0.01 0.00 -1.06 0.00 0.00 42.46 40.01 3adn s ILE 187 CO 0.45 -0.13 -0.18 0.12 -0.10 0.00 0.00 174.94 175.10 3adn s PHE 188 N -1.21 2.69 -0.01 3.97 5.36 0.18 -1.27 117.98 127.69 3adn s PHE 188 Ca 0.02 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.26 3adn s PHE 188 Cb -0.10 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 3adn s PHE 188 CO 0.03 -0.25 -0.05 0.14 -1.46 0.00 0.00 175.22 173.63 3adn s VAL 189 N 0.22 0.41 0.00 3.12 -7.23 -0.92 0.01 120.40 116.01 3adn s VAL 189 Ca -0.11 -0.19 -0.08 0.00 -1.81 0.00 0.00 61.98 59.78 3adn s VAL 189 Cb -0.16 -0.37 0.00 0.00 0.56 0.00 0.00 36.38 36.41 3adn s VAL 189 CO 0.06 0.13 0.15 0.00 -0.31 0.00 0.00 175.10 175.14 3adn s ALA 190 N 0.07 -0.37 0.06 1.32 0.00 -0.63 -1.02 121.76 121.19 3adn s ALA 190 Ca -0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 51.96 51.55 3adn s ALA 190 Cb -0.04 0.11 -0.06 0.00 0.00 0.00 0.00 23.12 23.13 3adn s ALA 190 CO -0.00 -0.21 1.30 -1.14 0.00 0.00 0.00 175.76 175.71 3adn s GLN 191 N -1.39 4.36 -0.23 0.00 -0.44 -1.08 0.12 119.66 121.00 3adn s GLN 191 Ca -0.15 1.91 0.10 0.00 -2.50 0.00 0.00 55.36 54.72 3adn s GLN 191 Cb -0.07 -3.36 0.44 0.00 -1.64 0.00 0.00 33.01 28.37 3adn s GLN 191 CO 0.02 -0.39 1.26 -1.71 0.50 0.00 0.00 175.29 174.97 3adn n ASN 192 N 4.24 2.21 -1.35 6.67 5.15 0.26 -4.83 115.26 127.61 3adn n ASN 192 Ca 0.11 -3.88 0.17 0.00 -0.60 0.00 0.00 54.58 50.38 3adn n ASN 192 Cb 0.44 -0.53 -0.07 0.00 -0.53 0.00 0.00 39.78 39.09 3adn n ASN 192 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3adn n GLY 193 N -1.07 -2.90 3.63 8.20 0.00 -1.24 -4.53 105.19 107.27 3adn n GLY 193 Ca 0.24 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 3adn n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3adn s VAL 194 N -3.59 3.59 -1.11 1.61 0.11 -1.26 -1.54 120.40 118.20 3adn s VAL 194 Ca 0.00 0.67 -0.03 0.00 -2.93 0.00 0.00 61.98 59.69 3adn s VAL 194 Cb 0.00 -3.59 0.27 0.00 -1.53 0.00 0.00 36.38 31.53 3adn s VAL 194 CO 0.00 -0.24 1.88 0.00 -3.33 0.00 0.00 175.10 173.41 3adn n PHE 196 N 0.76 0.00 -3.23 0.00 7.35 -1.26 -4.91 117.46 116.17 3adn n PHE 196 Ca 0.46 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.76 3adn n PHE 196 Cb 0.28 -0.11 -0.07 0.00 0.35 0.00 0.00 39.48 39.92 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 -6.14 4.13 0.05 -2.13 2.34 -1.26 -4.78 118.68 110.89 3adn s LEU 197 Ca -0.07 0.67 0.00 0.00 0.06 0.00 0.00 54.13 54.79 3adn s LEU 197 Cb 0.01 -2.72 0.00 0.00 -0.56 0.00 0.00 46.19 42.92 3adn s LEU 197 CO 0.10 -0.21 0.00 1.67 -1.06 0.00 0.00 176.35 176.84 3adn n GLN 198 N 4.97 -1.75 -0.06 1.48 0.00 -1.26 -4.95 117.38 115.81 3adn n GLN 198 Ca -0.04 1.59 0.02 0.00 -0.00 0.00 0.00 57.00 58.57 3adn n GLN 198 Cb 0.50 -1.45 0.05 0.00 0.00 0.00 0.00 30.24 29.34 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 0.60 2.95 -0.22 3.69 3.00 -1.26 -4.68 117.38 121.46 3adn n GLN 199 Ca 0.00 -1.70 -0.08 0.00 -0.01 0.00 0.00 57.00 55.21 3adn n GLN 199 Cb 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 30.24 29.17 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 0.69 1.01 -0.78 -1.09 5.08 -1.99 -2.36 114.58 115.15 3adn h GLU 200 Ca 0.00 -0.27 0.12 0.00 -1.00 0.00 0.00 59.36 58.22 3adn h GLU 200 Cb 0.58 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 3adn h GLU 200 CO 0.00 0.94 0.51 0.93 -1.00 0.00 0.00 179.01 180.40 3adn h GLU 201 N 0.92 0.57 -0.06 2.33 5.08 -1.93 0.18 114.58 121.67 3adn h GLU 201 Ca 0.19 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 3adn h GLU 201 Cb 0.42 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.55 3adn h GLU 201 CO 0.01 0.37 -0.62 0.00 -1.00 0.00 0.00 179.01 177.78 3adn h ALA 202 N 1.63 0.15 -0.58 3.43 0.00 -1.78 -1.86 119.26 120.24 3adn h ALA 202 Ca 0.37 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3adn h ALA 202 Cb 0.64 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3adn h ALA 202 CO -0.14 0.42 0.15 0.82 0.00 0.00 0.00 179.25 180.51 3adn h ILE 203 N 0.10 1.23 -0.11 0.00 2.04 -0.73 0.56 117.51 120.60 3adn h ILE 203 Ca -0.06 -0.83 -0.22 0.00 1.00 0.00 0.00 64.86 64.75 3adn h ILE 203 Cb 1.29 0.62 0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3adn h ILE 203 CO 0.12 0.31 -0.82 0.44 0.00 0.00 0.00 178.15 178.21 3adn h ASP 204 N 0.86 0.82 -0.14 1.72 5.19 -0.76 -2.60 116.42 121.50 3adn h ASP 204 Ca 0.19 -0.56 -0.13 0.00 -0.62 0.00 0.00 57.03 55.91 3adn h ASP 204 Cb 0.29 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 3adn h ASP 204 CO -0.00 1.35 -0.36 0.28 -3.12 0.00 0.00 179.24 177.38 3adn h SER 205 N 0.45 0.69 0.41 6.45 0.02 -0.91 -0.60 113.55 120.06 3adn h SER 205 Ca -0.06 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 3adn h SER 205 Cb 1.44 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3adn h SER 205 CO 0.16 0.98 -0.20 -0.74 -1.14 0.00 0.00 176.83 175.90 3adn h HIS 206 N 0.55 -0.51 -0.26 3.45 -0.00 0.14 -1.62 115.15 116.89 3adn h HIS 206 Ca 0.05 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.44 3adn h HIS 206 Cb 0.87 0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 28.42 3adn h HIS 206 CO 0.04 -0.31 0.09 -0.09 -0.00 0.00 0.00 177.93 177.66 3adn h ARG 207 N -0.56 0.20 -0.48 5.26 2.43 -1.38 -0.24 114.38 119.60 3adn h ARG 207 Ca -0.06 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3adn h ARG 207 Cb 0.43 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3adn h ARG 207 CO 0.09 0.13 0.19 0.87 -1.51 0.00 0.00 179.97 179.75 3adn h LYS 208 N 0.21 0.68 0.07 0.20 1.57 -1.05 -2.95 116.57 115.30 3adn h LYS 208 Ca 0.11 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 3adn h LYS 208 Cb 0.08 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.28 3adn h LYS 208 CO -0.12 0.56 -0.48 -0.07 -0.57 0.00 0.00 179.45 178.77 3adn h LEU 209 N 0.67 0.30 -0.81 2.94 4.07 -1.05 -3.26 115.31 118.17 3adn h LEU 209 Ca 0.16 -0.94 0.00 0.00 0.08 0.00 0.00 57.88 57.19 3adn h LEU 209 Cb 0.13 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.77 3adn h LEU 209 CO -0.02 1.21 0.13 -1.20 -1.08 0.00 0.00 178.44 177.48 3adn n SER 210 N -4.33 0.32 0.24 -0.43 7.64 -0.12 -0.31 113.62 116.62 3adn n SER 210 Ca -0.12 0.59 0.13 0.00 1.01 0.00 0.00 58.87 60.47 3adn n SER 210 Cb 0.67 -0.59 0.50 0.00 -1.01 0.00 0.00 64.21 63.77 3adn n SER 210 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 3adn h HIS 211 N 0.00 0.00 0.00 1.43 6.17 -1.56 -3.37 115.15 117.82 3adn h HIS 211 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3adn h HIS 211 Cb 0.25 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.18 3adn h HIS 211 CO 0.00 0.12 -0.65 0.66 0.71 0.00 0.00 177.93 178.77 3adn n TYR 212 N -3.23 0.00 -3.21 5.26 4.01 0.57 -5.07 117.16 115.49 3adn n TYR 212 Ca 0.01 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.36 3adn n TYR 212 Cb 0.41 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.65 3.83 0.05 -0.72 0.08 0.57 -5.00 117.98 115.14 3adn s PHE 213 Ca 0.00 1.35 -0.20 0.00 0.12 0.00 0.00 56.93 58.19 3adn s PHE 213 Cb 0.00 -2.55 -0.13 0.00 -0.57 0.00 0.00 43.02 39.77 3adn s PHE 213 CO 0.00 0.57 1.41 1.03 -0.10 0.00 0.00 175.22 178.13 3adn h SER 214 N 4.47 0.35 -3.31 1.36 0.87 -1.87 -3.39 113.55 112.03 3adn h SER 214 Ca -0.49 -0.41 -0.67 0.00 -1.23 0.00 0.00 61.79 58.99 3adn h SER 214 Cb 1.21 -0.10 -0.30 0.00 -0.44 0.00 0.00 62.40 62.78 3adn h SER 214 CO 0.64 0.68 -0.81 -0.62 -0.53 0.00 0.00 176.83 176.19 3adn s ASP 215 N -6.00 3.62 -0.13 6.23 2.15 0.48 -5.01 116.67 118.01 3adn s ASP 215 Ca -0.14 -0.44 -0.04 0.00 0.43 0.00 0.00 52.55 52.36 3adn s ASP 215 Cb 0.06 -1.53 0.07 0.00 -0.30 0.00 0.00 42.92 41.21 3adn s ASP 215 CO 0.74 0.14 0.21 -0.69 -0.17 0.00 0.00 175.17 175.40 3adn s VAL 216 N 0.48 -0.33 0.00 1.11 1.01 -1.26 -0.59 120.40 120.83 3adn s VAL 216 Ca -0.12 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3adn s VAL 216 Cb -0.16 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.77 3adn s VAL 216 CO 0.05 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.80 3adn n GLY 217 N 5.33 2.99 3.05 4.51 0.00 0.14 -4.97 105.19 116.25 3adn n GLY 217 Ca -0.05 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.51 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 -5.56 0.81 0.13 1.61 0.08 -1.26 0.17 117.98 113.96 3adn s PHE 218 Ca 0.00 -0.28 0.09 0.00 0.12 0.00 0.00 56.93 56.86 3adn s PHE 218 Cb 0.00 -0.50 -0.04 0.00 -0.57 0.00 0.00 43.02 41.91 3adn s PHE 218 CO 0.00 -0.02 -0.21 1.52 -0.10 0.00 0.00 175.22 176.41 3adn s TYR 219 N -0.64 1.89 0.13 0.36 1.13 -0.59 -4.66 117.35 114.97 3adn s TYR 219 Ca -0.01 -0.42 0.06 0.00 -1.41 0.00 0.00 57.07 55.29 3adn s TYR 219 Cb -0.06 -1.00 -0.04 0.00 -1.10 0.00 0.00 41.96 39.76 3adn s TYR 219 CO 0.00 0.28 -0.14 1.14 -2.51 0.00 0.00 175.55 174.33 3adn s GLN 220 N -2.24 1.04 -0.02 -3.49 0.00 -1.10 -0.43 119.66 113.41 3adn s GLN 220 Ca 0.11 -1.28 -0.11 0.00 -0.00 0.00 0.00 55.36 54.08 3adn s GLN 220 Cb -0.09 -0.88 0.02 0.00 0.00 0.00 0.00 33.01 32.06 3adn s GLN 220 CO 0.06 0.16 0.24 0.00 0.00 0.00 0.00 175.29 175.75 3adn s ALA 221 N -2.30 -0.59 -0.39 2.60 0.00 -1.09 -4.70 121.76 115.29 3adn s ALA 221 Ca 0.10 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.17 3adn s ALA 221 Cb -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.08 3adn s ALA 221 CO 0.03 -0.22 0.28 0.00 0.00 0.00 0.00 175.76 175.85 3adn s ALA 222 N -1.06 3.47 -0.36 0.00 0.00 -1.26 -1.39 121.76 121.16 3adn s ALA 222 Ca -0.11 -1.62 -0.13 0.00 0.00 0.00 0.00 51.96 50.09 3adn s ALA 222 Cb -0.05 -2.81 -0.00 0.00 0.00 0.00 0.00 23.12 20.26 3adn s ALA 222 CO 0.03 -1.32 0.24 0.42 0.00 0.00 0.00 175.76 175.13 3adn s ILE 223 N 1.68 5.11 0.43 0.00 1.09 -1.26 -4.99 121.20 123.26 3adn s ILE 223 Ca 0.05 -0.44 0.19 0.00 -1.10 0.00 0.00 60.65 59.36 3adn s ILE 223 Cb -0.19 -3.71 0.39 0.00 -1.06 0.00 0.00 42.46 37.90 3adn s ILE 223 CO 0.10 -0.11 1.86 1.55 -0.10 0.00 0.00 174.94 178.24 3adn h PRO 224 N 8.50 0.34 -0.46 2.79 0.13 -1.95 -2.46 132.00 138.90 3adn h PRO 224 Ca -0.30 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 3adn h PRO 224 Cb 1.14 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3adn h PRO 224 CO 0.66 0.23 0.16 0.00 -0.23 0.00 0.00 178.00 178.82 3adn h THR 225 N 0.35 1.22 -1.01 1.56 1.03 -1.94 -3.35 112.91 110.78 3adn h THR 225 Ca 0.46 -0.70 -0.56 0.00 -0.01 0.00 0.00 66.41 65.60 3adn h THR 225 Cb 1.22 0.81 -0.09 0.00 -1.07 0.00 0.00 68.15 69.03 3adn h THR 225 CO -0.16 0.26 1.47 -0.31 -0.01 0.00 0.00 175.52 176.77 3adn s TYR 226 N -5.46 2.45 0.46 0.00 2.02 -0.93 -4.96 117.35 110.92 3adn s TYR 226 Ca -0.13 -0.71 -0.21 0.00 -0.37 0.00 0.00 57.07 55.66 3adn s TYR 226 Cb 0.11 -4.60 -0.12 0.00 -0.40 0.00 0.00 41.96 36.94 3adn s TYR 226 CO 0.77 -1.88 0.40 0.98 -1.57 0.00 0.00 175.55 174.26 3adn n TYR 227 N 9.67 -1.02 0.00 2.71 9.36 -1.26 -4.21 117.16 132.41 3adn n TYR 227 Ca 0.36 0.56 0.00 0.00 3.32 0.00 0.00 57.90 62.14 3adn n TYR 227 Cb 0.50 -1.92 0.00 0.00 -0.63 0.00 0.00 39.34 37.29 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 1.94 1.42 0.00 2.98 0.00 -1.26 -4.92 105.19 105.35 3adn n GLY 228 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.10 -0.16 2.50 -0.02 0.00 -1.26 -4.79 105.19 101.36 3adn n GLY 229 Ca 0.00 -2.14 -0.44 0.00 0.00 0.00 0.00 46.02 43.44 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 0.00 -3.93 -0.61 -0.00 -1.26 -4.62 119.36 108.94 3adn n ILE 230 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.44 3adn n ILE 230 Cb 0.00 -0.18 -0.04 0.00 -0.00 0.00 0.00 39.64 39.42 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 1.07 3.38 -0.10 0.38 -2.45 -0.49 -2.50 119.30 118.59 3adn s MET 231 Ca 0.68 -0.47 -0.03 0.00 -1.25 0.00 0.00 55.69 54.62 3adn s MET 231 Cb -0.96 -3.00 -0.03 0.00 1.25 0.00 0.00 34.83 32.08 3adn s MET 231 CO 0.48 0.60 0.01 0.99 1.05 0.00 0.00 175.02 178.16 3adn s THR 232 N -1.50 4.41 -0.11 10.11 2.01 -0.59 -2.67 115.64 127.29 3adn s THR 232 Ca 0.34 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.16 3adn s THR 232 Cb -0.13 -2.87 0.01 0.00 0.01 0.00 0.00 72.50 69.52 3adn s THR 232 CO 0.27 0.59 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.24 3adn s PHE 233 N -0.72 2.28 0.03 4.92 0.08 0.42 0.89 117.98 125.88 3adn s PHE 233 Ca 0.11 -1.04 -0.29 0.00 0.12 0.00 0.00 56.93 55.83 3adn s PHE 233 Cb -0.12 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 3adn s PHE 233 CO 0.02 -0.48 0.95 0.00 -0.10 0.00 0.00 175.22 175.62 3adn s ALA 234 N 0.73 3.20 -0.19 5.36 0.00 0.32 -1.55 121.76 129.62 3adn s ALA 234 Ca -0.11 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 3adn s ALA 234 Cb -0.16 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 3adn s ALA 234 CO 0.02 -0.16 -0.10 -0.46 0.00 0.00 0.00 175.76 175.05 3adn s TRP 235 N 0.71 2.88 -0.04 0.00 -0.11 0.46 -1.61 118.94 121.23 3adn s TRP 235 Ca 0.50 -1.06 -0.01 0.00 1.22 0.00 0.00 56.10 56.74 3adn s TRP 235 Cb -0.21 -2.01 0.03 0.00 -1.50 0.00 0.00 33.47 29.78 3adn s TRP 235 CO 0.28 -0.55 0.02 0.00 -4.62 0.00 0.00 176.95 172.08 3adn s ALA 236 N 1.21 0.38 -0.05 5.86 0.00 0.10 0.27 121.76 129.54 3adn s ALA 236 Ca 0.02 0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 3adn s ALA 236 Cb -0.14 -0.54 0.11 0.00 0.00 0.00 0.00 23.12 22.54 3adn s ALA 236 CO -0.04 -0.33 0.93 -0.08 0.00 0.00 0.00 175.76 176.24 3adn s THR 237 N 1.71 0.00 -0.12 0.00 -1.32 0.24 0.49 115.64 116.64 3adn s THR 237 Ca -0.00 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.62 3adn s THR 237 Cb -0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 3adn s THR 237 CO -0.03 0.00 1.34 0.44 -2.21 0.00 0.00 174.62 174.16 3adn h ASP 238 N 2.15 0.00 -1.81 8.08 3.32 -1.83 0.14 116.42 126.47 3adn h ASP 238 Ca -0.20 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.22 3adn h ASP 238 Cb 1.22 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.64 3adn h ASP 238 CO 0.30 0.58 1.15 0.21 -1.72 0.00 0.00 179.24 179.76 3adn s ASN 239 N -6.40 6.46 0.00 6.45 3.04 -1.26 -4.67 114.94 118.55 3adn s ASN 239 Ca 0.03 -1.45 0.13 0.00 0.04 0.00 0.00 52.86 51.60 3adn s ASN 239 Cb 0.08 -2.50 0.78 0.00 -1.54 0.00 0.00 41.25 38.06 3adn s ASN 239 CO 0.76 -1.41 1.20 -0.90 -3.04 0.00 0.00 177.10 173.71 3adn n ASP 240 N 8.14 0.00 0.09 -4.21 5.75 -1.26 -2.91 116.55 122.14 3adn n ASP 240 Ca 0.23 -0.47 0.13 0.00 -0.01 0.00 0.00 54.79 54.67 3adn n ASP 240 Cb 0.50 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 40.96 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 -0.97 2.43 -1.79 2.12 0.00 -1.26 -4.72 120.51 116.32 3adn n ALA 241 Ca 0.10 -0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 3adn n ALA 241 Cb 0.04 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.18 3.51 0.07 0.00 4.32 -1.15 -3.61 117.00 117.97 3adn n LEU 242 Ca 0.05 -3.13 0.00 0.00 -0.02 0.00 0.00 56.01 52.92 3adn n LEU 242 Cb 0.43 -1.53 0.00 0.00 -1.62 0.00 0.00 43.42 40.69 3adn n LEU 242 CO 0.31 -1.24 0.00 0.54 -1.22 0.00 0.00 177.39 175.78 3adn n ARG 243 N 7.85 0.00 -1.32 3.23 1.74 -1.26 -5.05 116.66 121.85 3adn n ARG 243 Ca 0.47 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.71 3adn n ARG 243 Cb 0.44 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.83 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 -2.96 -3.25 -3.89 -1.55 8.25 -1.24 -4.90 115.22 105.68 3adn n HIS 244 Ca 0.00 1.69 -0.21 0.00 -0.26 0.00 0.00 57.72 58.94 3adn n HIS 244 Cb 0.00 -2.95 -0.03 0.00 1.12 0.00 0.00 29.99 28.13 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 -6.59 3.87 0.16 2.41 -0.00 -1.26 -5.02 118.68 112.25 3adn s LEU 245 Ca 0.00 -0.25 -0.14 0.00 -0.00 0.00 0.00 54.13 53.73 3adn s LEU 245 Cb 0.00 -2.47 0.04 0.00 -0.00 0.00 0.00 46.19 43.77 3adn s LEU 245 CO 0.00 -0.20 1.79 0.28 -0.00 0.00 0.00 176.35 178.21 3adn h SER 246 N 1.26 0.60 -1.06 1.48 0.02 -1.91 -2.51 113.55 111.43 3adn h SER 246 Ca -0.48 -0.07 0.28 0.00 -0.84 0.00 0.00 61.79 60.69 3adn h SER 246 Cb 1.24 -0.15 -0.11 0.00 0.14 0.00 0.00 62.40 63.52 3adn h SER 246 CO 0.59 0.50 0.67 0.71 -1.14 0.00 0.00 176.83 178.15 3adn h THR 247 N 0.66 0.47 -0.10 -2.27 1.35 -1.98 0.29 112.91 111.34 3adn h THR 247 Ca 0.18 -0.14 -0.03 0.00 -0.55 0.00 0.00 66.41 65.87 3adn h THR 247 Cb 0.01 0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 66.47 3adn h THR 247 CO -0.03 0.07 -0.05 -0.33 -0.25 0.00 0.00 175.52 174.93 3adn h GLU 248 N 0.40 0.21 0.00 4.72 3.07 -1.86 -3.20 114.58 117.91 3adn h GLU 248 Ca 0.64 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 3adn h GLU 248 Cb 1.57 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.47 3adn h GLU 248 CO -0.36 0.56 0.04 0.82 -1.40 0.00 0.00 179.01 178.67 3adn h ILE 249 N -0.16 0.00 0.00 3.13 2.04 -0.31 -2.21 117.51 120.01 3adn h ILE 249 Ca 0.02 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 3adn h ILE 249 Cb 0.50 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3adn h ILE 249 CO 0.01 0.00 -0.08 -0.38 0.00 0.00 0.00 178.15 177.70 3adn n ILE 250 N -2.84 1.87 0.78 -0.67 2.08 -0.87 -1.74 119.36 117.97 3adn n ILE 250 Ca -0.02 -0.82 0.13 0.00 0.56 0.00 0.00 62.75 62.59 3adn n ILE 250 Cb 0.10 -1.69 0.35 0.00 -0.75 0.00 0.00 39.64 37.65 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 2.33 0.15 -1.08 0.38 6.02 -0.83 -4.55 117.38 119.80 3adn n GLN 251 Ca 0.20 0.08 -0.25 0.00 -0.01 0.00 0.00 57.00 57.02 3adn n GLN 251 Cb 0.55 -1.63 -0.11 0.00 1.02 0.00 0.00 30.24 30.07 3adn n GLN 251 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3adn n ALA 252 N -1.67 0.45 -2.84 -1.58 0.00 -0.71 -5.11 120.51 109.05 3adn n ALA 252 Ca 0.05 -2.28 -0.07 0.00 0.00 0.00 0.00 53.44 51.14 3adn n ALA 252 Cb 0.39 -3.23 -0.00 0.00 0.00 0.00 0.00 19.45 16.61 3adn n ALA 252 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3adn n ARG 253 N 7.71 0.50 0.00 0.00 0.63 -1.26 -5.10 116.66 119.13 3adn n ARG 253 Ca 0.40 -2.19 0.00 0.00 -0.92 0.00 0.00 57.85 55.14 3adn n ARG 253 Cb 0.44 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.86 3adn n ARG 253 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3adn n LEU 259 N 2.91 0.00 -4.69 6.15 0.00 -1.26 -5.08 117.00 115.02 3adn n LEU 259 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.78 3adn n LEU 259 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.94 3adn n LEU 259 CO -0.01 0.00 1.48 1.17 0.00 0.00 0.00 177.39 180.04 3adn n LYS 260 N 0.00 2.79 -2.73 1.96 3.00 -1.26 -4.98 118.16 116.94 3adn n LYS 260 Ca 0.00 1.01 -0.12 0.00 -0.00 0.00 0.00 58.31 59.20 3adn n LYS 260 Cb 0.00 -2.91 -0.01 0.00 0.00 0.00 0.00 35.03 32.11 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 -0.87 5.83 0.00 0.00 1.74 -1.26 -4.86 116.66 117.23 3adn n ARG 262 Ca -0.04 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 3adn n ARG 262 Cb 0.27 -0.55 0.00 0.00 -1.02 0.00 0.00 32.46 31.16 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 -0.85 -0.13 -1.19 -1.55 9.36 -1.26 -5.03 117.16 116.51 3adn n TYR 263 Ca 0.00 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.90 3adn n TYR 263 Cb 0.00 0.38 0.11 0.00 -0.63 0.00 0.00 39.34 39.20 3adn n TYR 263 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 3adn s TYR 264 N -1.77 2.14 0.00 2.98 5.04 -1.26 -4.94 117.35 119.54 3adn s TYR 264 Ca 0.00 1.65 0.00 0.00 -2.44 0.00 0.00 57.07 56.28 3adn s TYR 264 Cb 0.00 -3.27 0.00 0.00 0.35 0.00 0.00 41.96 39.04 3adn s TYR 264 CO 0.00 -2.31 0.00 0.27 -1.34 0.00 0.00 175.55 172.17 3adn n ASN 265 N -3.41 0.00 -0.30 4.32 2.04 -1.26 -4.66 115.26 111.99 3adn n ASN 265 Ca 0.11 0.00 0.11 0.00 -0.44 0.00 0.00 54.58 54.36 3adn n ASN 265 Cb 0.52 0.00 0.22 0.00 -2.53 0.00 0.00 39.78 37.99 3adn n ASN 265 CO 0.00 0.00 0.00 -2.65 -0.44 0.00 0.00 177.26 174.17 3adn n PRO 266 N -0.30 -0.07 0.16 -0.53 -0.02 -1.26 -1.32 135.00 131.66 3adn n PRO 266 Ca 0.00 1.32 0.02 0.00 -2.02 0.00 0.00 63.50 62.82 3adn n PRO 266 Cb 0.00 -2.06 0.24 0.00 -0.02 0.00 0.00 33.50 31.66 3adn n PRO 266 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3adn h ALA 267 N 1.74 0.95 -0.01 3.55 0.00 -1.97 -0.45 119.26 123.07 3adn h ALA 267 Ca 0.50 -0.46 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 3adn h ALA 267 Cb 0.97 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3adn h ALA 267 CO -0.84 0.63 -0.76 0.82 0.00 0.00 0.00 179.25 179.10 3adn h ILE 268 N 0.00 1.49 0.60 0.00 1.08 -1.57 -0.88 117.51 118.23 3adn h ILE 268 Ca -0.01 -2.45 -0.03 0.00 -0.39 0.00 0.00 64.86 61.98 3adn h ILE 268 Cb 1.03 2.33 0.01 0.00 -3.07 0.00 0.00 36.82 37.12 3adn h ILE 268 CO 0.07 0.71 -0.29 -0.74 -0.69 0.00 0.00 178.15 177.21 3adn h HIS 269 N 0.07 -0.75 0.00 1.37 2.76 -0.90 -0.41 115.15 117.29 3adn h HIS 269 Ca -0.02 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 3adn h HIS 269 Cb 1.34 0.25 0.00 0.00 1.55 0.00 0.00 27.41 30.55 3adn h HIS 269 CO 0.02 -0.42 0.00 2.41 -1.30 0.00 0.00 177.93 178.64 3adn n THR 270 N -5.33 0.00 -0.23 6.26 -1.04 -0.21 -2.28 114.28 111.45 3adn n THR 270 Ca -0.11 1.42 0.29 0.00 -2.04 0.00 0.00 64.05 63.61 3adn n THR 270 Cb 0.34 -2.28 0.49 0.00 -1.82 0.00 0.00 70.33 67.07 3adn n THR 270 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3adn h ALA 271 N -1.76 2.97 -0.70 2.41 0.00 -1.24 -1.45 119.26 119.50 3adn h ALA 271 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.99 3adn h ALA 271 Cb 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 3adn h ALA 271 CO 0.00 -1.71 0.28 0.00 0.00 0.00 0.00 179.25 177.82 3adn h ALA 272 N 0.65 0.95 0.00 0.00 0.00 -0.63 -1.38 119.26 118.85 3adn h ALA 272 Ca 0.50 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3adn h ALA 272 Cb 2.84 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.68 3adn h ALA 272 CO -0.01 -0.17 0.00 1.19 0.00 0.00 0.00 179.25 180.26 3adn n PHE 273 N -4.98 0.00 -3.16 0.00 3.72 -0.55 -2.71 117.46 109.78 3adn n PHE 273 Ca 0.12 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.08 3adn n PHE 273 Cb 0.34 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 3adn n PHE 273 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3adn n ALA 274 N -0.23 4.56 -1.67 4.37 0.00 -0.52 -4.94 120.51 122.07 3adn n ALA 274 Ca 0.00 -4.67 -0.39 0.00 0.00 0.00 0.00 53.44 48.39 3adn n ALA 274 Cb 0.02 -2.49 0.04 0.00 0.00 0.00 0.00 19.45 17.01 3adn n ALA 274 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3adn n LEU 275 N 2.53 4.23 -4.77 0.00 4.77 -1.26 -4.95 117.00 117.54 3adn n LEU 275 Ca 0.26 0.93 -0.37 0.00 -0.03 0.00 0.00 56.01 56.79 3adn n LEU 275 Cb 0.37 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 39.97 3adn n LEU 275 CO 0.58 -1.24 0.79 -2.16 -1.33 0.00 0.00 177.39 174.02 3adn s PRO 276 N -2.65 4.10 0.01 3.23 0.04 -1.26 -4.89 135.00 133.59 3adn s PRO 276 Ca 0.71 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 63.41 3adn s PRO 276 Cb -0.45 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 3adn s PRO 276 CO 0.50 -0.24 0.85 0.94 0.04 0.00 0.00 177.00 179.09 3adn n GLN 277 N 0.02 -0.04 -0.36 4.56 -0.06 -1.26 -1.44 117.38 118.80 3adn n GLN 277 Ca 0.05 0.84 0.27 0.00 -2.00 0.00 0.00 57.00 56.16 3adn n GLN 277 Cb 0.48 -1.26 0.53 0.00 -4.06 0.00 0.00 30.24 25.93 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 0.73 -0.22 3.69 -0.00 -2.00 0.42 116.97 119.59 3adn h TYR 278 Ca 0.01 0.03 -0.10 0.00 -0.00 0.00 0.00 58.73 58.67 3adn h TYR 278 Cb 0.03 -0.20 -0.01 0.00 -0.00 0.00 0.00 36.73 36.55 3adn h TYR 278 CO -0.76 -0.09 -0.30 1.25 -0.00 0.00 0.00 178.16 178.26 3adn h LEU 279 N 0.29 0.44 0.02 0.10 6.46 -1.60 -2.95 115.31 118.08 3adn h LEU 279 Ca 0.71 -0.16 -0.24 0.00 -0.12 0.00 0.00 57.88 58.07 3adn h LEU 279 Cb 1.85 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 41.63 3adn h LEU 279 CO -0.44 0.72 -1.20 0.06 -0.62 0.00 0.00 178.44 176.96 3adn h GLN 280 N 0.38 0.04 -0.88 1.25 3.07 -0.87 -3.08 115.11 115.02 3adn h GLN 280 Ca 0.05 -0.07 0.17 0.00 0.09 0.00 0.00 58.65 58.88 3adn h GLN 280 Cb 0.71 0.03 -0.10 0.00 0.08 0.00 0.00 27.48 28.20 3adn h GLN 280 CO 0.05 0.93 0.45 -0.44 0.09 0.00 0.00 178.83 179.92 3adn h ASP 281 N 0.01 0.53 0.00 0.06 3.32 -1.06 -3.52 116.42 115.76 3adn h ASP 281 Ca -0.09 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3adn h ASP 281 Cb 1.85 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.43 3adn h ASP 281 CO 0.13 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 177.83