#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 3.13 -0.03 1.08 -0.00 -0.43 -4.95 118.94 117.74 3adn s TRP 7 Ca 0.00 -0.33 -0.01 0.00 -0.00 0.00 0.00 56.10 55.76 3adn s TRP 7 Cb 0.00 -2.29 -0.04 0.00 -0.00 0.00 0.00 33.47 31.14 3adn s TRP 7 CO 0.00 -0.33 0.06 -1.01 -0.00 0.00 0.00 176.95 175.66 3adn s HIS 8 N 1.65 3.26 0.20 5.86 3.76 -1.26 -0.96 115.29 127.79 3adn s HIS 8 Ca 0.06 0.22 -0.19 0.00 -0.15 0.00 0.00 55.06 55.00 3adn s HIS 8 Cb -0.16 -1.76 -0.08 0.00 1.11 0.00 0.00 32.58 31.69 3adn s HIS 8 CO 0.06 0.54 0.69 -2.00 -0.85 0.00 0.00 174.74 173.18 3adn s GLU 9 N -1.45 4.21 0.00 1.40 2.12 -0.42 -4.98 118.70 119.58 3adn s GLU 9 Ca 0.19 0.80 0.00 0.00 0.36 0.00 0.00 54.97 56.33 3adn s GLU 9 Cb -0.12 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.36 3adn s GLU 9 CO 0.10 0.42 0.00 2.41 -0.54 0.00 0.00 175.26 177.65 3adn n THR 10 N 0.79 0.00 0.00 -1.70 -1.04 -0.21 -4.50 114.28 107.62 3adn n THR 10 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3adn n THR 10 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 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 -4.64 -4.42 7.94 -1.26 -4.63 117.00 109.99 3adn n LEU 11 Ca 0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.55 3adn n LEU 11 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 3adn n LEU 11 CO 0.00 0.00 -0.31 -1.00 -1.11 0.00 0.00 177.39 174.97 3adn s HIS 12 N 0.00 3.14 0.10 1.96 3.76 -1.26 -5.11 115.29 117.87 3adn s HIS 12 Ca 0.00 0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 54.98 3adn s HIS 12 Cb 0.00 -1.85 -0.04 0.00 1.11 0.00 0.00 32.58 31.80 3adn s HIS 12 CO 0.00 0.33 0.27 -0.51 -0.85 0.00 0.00 174.74 173.99 3adn s ASP 13 N -0.50 6.39 0.00 1.40 1.01 -1.26 -4.25 116.67 119.45 3adn s ASP 13 Ca 0.09 0.35 0.00 0.00 0.71 0.00 0.00 52.55 53.70 3adn s ASP 13 Cb -0.12 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.82 3adn s ASP 13 CO 0.02 0.12 0.00 0.00 0.21 0.00 0.00 175.17 175.52 3adn n GLN 14 N 0.11 0.00 -3.68 8.23 1.13 -1.26 -4.95 117.38 116.96 3adn n GLN 14 Ca -0.04 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.92 3adn n GLN 14 Cb 0.52 -0.23 -0.04 0.00 0.11 0.00 0.00 30.24 30.60 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 -1.56 -0.19 -0.94 1.08 -0.71 -1.26 -5.18 117.98 109.22 3adn s PHE 15 Ca 0.00 -0.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.75 3adn s PHE 15 Cb 0.00 0.40 0.00 0.00 -1.21 0.00 0.00 43.02 42.21 3adn s PHE 15 CO 0.00 -0.88 0.00 0.41 -1.34 0.00 0.00 175.22 173.41 3adn n GLY 16 N -0.33 -1.43 3.66 1.99 0.00 -1.26 -4.47 105.19 103.35 3adn n GLY 16 Ca -0.12 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.96 2.63 -0.02 1.61 -2.07 -1.26 -4.99 119.66 113.60 3adn s GLN 17 Ca 0.00 -0.72 0.03 0.00 -1.82 0.00 0.00 55.36 52.84 3adn s GLN 17 Cb 0.00 -2.58 0.00 0.00 -1.09 0.00 0.00 33.01 29.34 3adn s GLN 17 CO 0.00 0.59 -0.09 1.52 -1.32 0.00 0.00 175.29 175.99 3adn s TYR 18 N -1.14 0.92 0.08 9.60 1.13 -1.26 -1.30 117.35 125.37 3adn s TYR 18 Ca 0.21 -0.21 0.06 0.00 -1.41 0.00 0.00 57.07 55.72 3adn s TYR 18 Cb -0.11 -0.64 -0.04 0.00 -1.10 0.00 0.00 41.96 40.07 3adn s TYR 18 CO 0.12 -0.08 -0.10 -0.06 -2.51 0.00 0.00 175.55 172.92 3adn s PHE 19 N 0.09 2.74 -0.08 -3.49 0.08 -0.14 -4.99 117.98 112.19 3adn s PHE 19 Ca -0.01 -0.15 -0.26 0.00 0.12 0.00 0.00 56.93 56.63 3adn s PHE 19 Cb -0.07 -1.46 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 3adn s PHE 19 CO 0.00 0.40 0.82 0.00 -0.10 0.00 0.00 175.22 176.34 3adn s ALA 20 N -1.15 3.35 -0.31 5.36 0.00 -1.26 -1.31 121.76 126.44 3adn s ALA 20 Ca 0.20 0.21 -0.25 0.00 0.00 0.00 0.00 51.96 52.12 3adn s ALA 20 Cb -0.11 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.87 3adn s ALA 20 CO 0.12 -0.31 0.87 0.08 0.00 0.00 0.00 175.76 176.52 3adn s VAL 21 N 1.28 4.71 -0.15 0.00 1.01 -1.26 -4.44 120.40 121.55 3adn s VAL 21 Ca 0.42 1.37 0.21 0.00 0.00 0.00 0.00 61.98 63.97 3adn s VAL 21 Cb -0.18 -4.22 -0.14 0.00 0.00 0.00 0.00 36.38 31.83 3adn s VAL 21 CO 0.19 -0.31 0.78 0.47 0.00 0.00 0.00 175.10 176.23 3adn n ASP 22 N 6.38 0.58 0.00 3.32 8.00 -0.75 -4.98 116.55 129.11 3adn n ASP 22 Ca 0.06 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.80 3adn n ASP 22 Cb 0.48 0.81 0.00 0.00 -0.02 0.00 0.00 41.12 42.38 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 -2.63 0.00 -4.60 -2.24 2.85 -1.25 -4.96 115.26 102.43 3adn n ASN 23 Ca -0.06 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.01 3adn n ASN 23 Cb 0.67 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.62 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 -0.57 5.05 0.01 3.44 1.01 -1.26 -0.90 120.40 127.18 3adn s VAL 24 Ca 0.00 0.72 -0.09 0.00 0.00 0.00 0.00 61.98 62.61 3adn s VAL 24 Cb 0.00 -3.87 -0.31 0.00 0.00 0.00 0.00 36.38 32.21 3adn s VAL 24 CO 0.00 -0.00 0.88 -0.07 0.00 0.00 0.00 175.10 175.91 3adn h LEU 25 N 8.88 0.57 -7.00 3.92 -0.00 -0.98 -3.47 115.31 117.23 3adn h LEU 25 Ca -0.29 -0.73 0.03 0.00 -0.00 0.00 0.00 57.88 56.90 3adn h LEU 25 Cb 1.14 -0.19 -0.21 0.00 -0.00 0.00 0.00 40.66 41.40 3adn h LEU 25 CO 0.73 1.60 -0.00 -0.47 -0.00 0.00 0.00 178.44 180.29 3adn s TYR 26 N -2.61 -1.11 -0.14 1.13 5.04 -0.65 -4.99 117.35 114.02 3adn s TYR 26 Ca -0.10 2.16 -0.04 0.00 -2.44 0.00 0.00 57.07 56.65 3adn s TYR 26 Cb 0.06 0.67 0.06 0.00 0.35 0.00 0.00 41.96 43.09 3adn s TYR 26 CO 0.88 -0.55 0.12 -1.58 -1.34 0.00 0.00 175.55 173.08 3adn s HIS 27 N 1.86 0.02 -0.20 4.97 5.65 -1.26 -0.50 115.29 125.82 3adn s HIS 27 Ca -0.09 0.04 -0.00 0.00 0.25 0.00 0.00 55.06 55.26 3adn s HIS 27 Cb -0.06 -0.52 0.02 0.00 -1.18 0.00 0.00 32.58 30.84 3adn s HIS 27 CO -0.20 -0.44 -0.15 -2.00 -0.65 0.00 0.00 174.74 171.31 3adn s GLU 28 N 2.21 2.98 -0.52 2.88 2.12 -0.81 -5.02 118.70 122.54 3adn s GLU 28 Ca 0.04 -0.85 -0.04 0.00 0.36 0.00 0.00 54.97 54.48 3adn s GLU 28 Cb -0.15 -2.72 0.14 0.00 0.26 0.00 0.00 34.13 31.66 3adn s GLU 28 CO -0.08 -0.26 0.34 0.21 -0.54 0.00 0.00 175.26 174.93 3adn s LYS 29 N 1.31 2.35 0.00 4.30 2.20 -1.26 -2.17 119.74 126.47 3adn s LYS 29 Ca 0.04 -2.14 0.22 0.00 -0.36 0.00 0.00 55.97 53.72 3adn s LYS 29 Cb -0.14 -3.72 1.07 0.00 -1.51 0.00 0.00 37.83 33.53 3adn s LYS 29 CO -0.10 -1.14 1.72 2.41 -0.36 0.00 0.00 175.35 177.89 3adn n THR 30 N 4.13 0.07 0.00 3.43 -1.04 -0.63 -4.88 114.28 115.36 3adn n THR 30 Ca 0.02 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3adn n THR 30 Cb 0.40 0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 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 -0.31 0.00 -0.08 8.00 -0.08 -1.26 -4.45 116.55 118.37 3adn n ASP 31 Ca 0.17 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.32 3adn n ASP 31 Cb 0.20 -0.30 -0.07 0.00 2.34 0.00 0.00 41.12 43.29 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 -1.63 0.00 -4.55 -0.67 8.25 -1.26 -4.99 115.22 110.36 3adn n HIS 32 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 3adn n HIS 32 Cb 0.00 -0.62 -0.14 0.00 1.12 0.00 0.00 29.99 30.35 3adn n HIS 32 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3adn s GLN 33 N -2.32 1.46 -0.54 -0.41 -0.21 -1.26 -5.00 119.66 111.38 3adn s GLN 33 Ca -0.22 -1.18 0.07 0.00 0.02 0.00 0.00 55.36 54.04 3adn s GLN 33 Cb 0.06 -1.76 0.26 0.00 1.00 0.00 0.00 33.01 32.57 3adn s GLN 33 CO 0.36 0.43 0.68 -3.47 -2.12 0.00 0.00 175.29 171.17 3adn n ASP 34 N 1.33 2.45 -4.77 5.90 4.64 -1.26 -1.61 116.55 123.23 3adn n ASP 34 Ca -0.18 -3.18 -0.39 0.00 -1.38 0.00 0.00 54.79 49.66 3adn n ASP 34 Cb 0.53 -0.65 -0.02 0.00 -1.04 0.00 0.00 41.12 39.94 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 -2.08 4.27 -0.13 -2.67 0.20 -0.92 -2.83 118.68 114.53 3adn s LEU 35 Ca 0.39 2.53 -0.20 0.00 0.69 0.00 0.00 54.13 57.53 3adn s LEU 35 Cb 0.17 -3.87 0.05 0.00 -0.43 0.00 0.00 46.19 42.11 3adn s LEU 35 CO -0.05 -0.68 0.51 -0.51 -0.29 0.00 0.00 176.35 175.33 3adn s ILE 36 N -1.28 0.01 -0.16 6.68 1.10 -0.35 -1.92 121.20 125.28 3adn s ILE 36 Ca 0.54 -0.10 -0.04 0.00 -0.51 0.00 0.00 60.65 60.54 3adn s ILE 36 Cb -0.35 -0.76 0.07 0.00 0.15 0.00 0.00 42.46 41.56 3adn s ILE 36 CO 0.46 -0.06 0.17 -0.63 -2.11 0.00 0.00 174.94 172.77 3adn s ILE 37 N -0.38 -0.26 0.21 2.00 1.01 0.34 -0.45 121.20 123.68 3adn s ILE 37 Ca -0.05 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.65 3adn s ILE 37 Cb -0.03 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.86 3adn s ILE 37 CO 0.03 -0.10 0.04 0.72 0.00 0.00 0.00 174.94 175.63 3adn s PHE 38 N 2.28 1.38 0.21 3.97 -0.71 -0.61 -0.27 117.98 124.23 3adn s PHE 38 Ca 0.05 -1.07 0.01 0.00 -1.04 0.00 0.00 56.93 54.87 3adn s PHE 38 Cb -0.15 -0.80 -0.04 0.00 -1.21 0.00 0.00 43.02 40.83 3adn s PHE 38 CO -0.09 -0.24 0.37 -1.21 -1.34 0.00 0.00 175.22 172.71 3adn s GLU 39 N -3.96 3.48 -0.24 1.99 0.41 -0.08 0.24 118.70 120.55 3adn s GLU 39 Ca 0.30 -0.46 -0.22 0.00 -0.41 0.00 0.00 54.97 54.17 3adn s GLU 39 Cb 0.07 -2.86 0.06 0.00 -1.78 0.00 0.00 34.13 29.62 3adn s GLU 39 CO 0.08 0.41 0.64 1.21 -0.49 0.00 0.00 175.26 177.12 3adn s ASN 40 N -3.37 -0.66 0.15 -0.19 3.04 -0.86 -1.80 114.94 111.24 3adn s ASN 40 Ca 0.37 1.27 -0.16 0.00 0.04 0.00 0.00 52.86 54.39 3adn s ASN 40 Cb -0.11 1.29 0.01 0.00 -1.54 0.00 0.00 41.25 40.91 3adn s ASN 40 CO 0.29 -0.23 1.74 0.00 -3.04 0.00 0.00 177.10 175.87 3adn h ALA 41 N 5.09 0.55 -0.02 1.71 0.00 -1.86 0.78 119.26 125.51 3adn h ALA 41 Ca -0.28 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3adn h ALA 41 Cb 1.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3adn h ALA 41 CO 0.11 0.09 0.01 0.00 0.00 0.00 0.00 179.25 179.46 3adn h ALA 42 N 1.07 0.03 -0.04 0.00 0.00 -1.98 -3.33 119.26 115.01 3adn h ALA 42 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3adn h ALA 42 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3adn h ALA 42 CO -0.02 -0.42 0.00 1.19 0.00 0.00 0.00 179.25 180.00 3adn n PHE 43 N -5.02 0.09 -3.79 0.00 3.72 -1.22 -5.05 117.46 106.18 3adn n PHE 43 Ca -0.07 -0.67 0.00 0.00 -0.05 0.00 0.00 57.45 56.66 3adn n PHE 43 Cb 0.08 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 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 -0.70 2.92 3.68 1.37 0.00 0.27 -3.41 105.19 109.33 3adn n GLY 44 Ca 0.07 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 4.18 -0.23 1.61 0.52 -1.26 -2.04 118.95 121.74 3adn s ARG 45 Ca 0.00 2.34 -0.02 0.00 -0.52 0.00 0.00 55.73 57.53 3adn s ARG 45 Cb 0.00 -3.76 0.01 0.00 0.52 0.00 0.00 34.95 31.72 3adn s ARG 45 CO 0.00 -0.79 -0.07 0.08 0.02 0.00 0.00 175.30 174.54 3adn s VAL 46 N 3.19 2.97 0.07 3.52 1.01 0.14 -1.30 120.40 130.01 3adn s VAL 46 Ca 0.76 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 3adn s VAL 46 Cb -0.39 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3adn s VAL 46 CO 0.33 0.35 0.36 -0.32 0.00 0.00 0.00 175.10 175.81 3adn s MET 47 N 1.39 3.68 -0.23 2.72 1.75 -1.11 -1.58 119.30 125.93 3adn s MET 47 Ca 0.03 0.06 -0.15 0.00 -1.25 0.00 0.00 55.69 54.38 3adn s MET 47 Cb -0.15 -3.00 0.07 0.00 2.84 0.00 0.00 34.83 34.59 3adn s MET 47 CO -0.05 0.57 0.57 0.00 -0.65 0.00 0.00 175.02 175.45 3adn s ALA 48 N -1.41 -1.49 -0.10 4.11 0.00 0.40 -2.38 121.76 120.90 3adn s ALA 48 Ca 0.33 1.92 0.02 0.00 0.00 0.00 0.00 51.96 54.23 3adn s ALA 48 Cb -0.13 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 21.86 3adn s ALA 48 CO 0.19 -0.31 -0.14 -1.17 0.00 0.00 0.00 175.76 174.32 3adn s LEU 49 N 1.21 1.67 -1.56 0.00 2.96 -0.99 -1.22 118.68 120.75 3adn s LEU 49 Ca -0.07 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 53.40 3adn s LEU 49 Cb -0.06 -1.01 0.01 0.00 0.50 0.00 0.00 46.19 45.62 3adn s LEU 49 CO -0.12 0.02 0.61 0.47 -1.32 0.00 0.00 176.35 176.00 3adn n ASP 50 N 4.13 -6.09 0.00 3.68 8.00 -1.13 -2.15 116.55 122.99 3adn n ASP 50 Ca -0.19 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.01 3adn n ASP 50 Cb 0.51 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 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 -1.52 1.71 3.37 0.44 0.00 -1.26 -4.79 105.19 103.15 3adn n GLY 51 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.62 3.78 0.02 1.61 0.11 -0.92 -1.04 120.40 120.35 3adn s VAL 52 Ca 0.00 -0.35 -0.35 0.00 -2.93 0.00 0.00 61.98 58.35 3adn s VAL 52 Cb 0.00 -2.74 -0.14 0.00 -1.53 0.00 0.00 36.38 31.97 3adn s VAL 52 CO 0.00 0.39 1.68 0.52 -3.33 0.00 0.00 175.10 174.35 3adn n VAL 53 N 4.82 0.24 -0.02 2.04 0.31 -1.26 -2.36 118.33 122.11 3adn n VAL 53 Ca -0.17 -0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 63.90 3adn n VAL 53 Cb 0.51 -1.54 -0.13 0.00 -0.91 0.00 0.00 33.84 31.77 3adn n VAL 53 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3adn h GLN 54 N 7.09 0.18 -2.30 5.55 1.08 -1.83 -3.47 115.11 121.40 3adn h GLN 54 Ca -0.47 -0.31 0.22 0.00 -1.45 0.00 0.00 58.65 56.65 3adn h GLN 54 Cb 1.28 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 28.76 3adn h GLN 54 CO 0.90 1.15 0.67 0.95 -0.95 0.00 0.00 178.83 181.55 3adn s THR 55 N -2.44 0.00 -0.01 -0.54 -4.23 -1.25 -5.06 115.64 102.11 3adn s THR 55 Ca -0.22 -0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.72 3adn s THR 55 Cb 0.04 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 71.19 3adn s THR 55 CO 0.73 0.00 0.25 -0.89 -0.54 0.00 0.00 174.62 174.17 3adn s THR 56 N -2.29 0.06 0.43 3.99 2.01 -1.26 -2.75 115.64 115.83 3adn s THR 56 Ca 0.22 -0.51 -0.13 0.00 0.31 0.00 0.00 61.69 61.58 3adn s THR 56 Cb -0.01 -0.54 -0.07 0.00 0.01 0.00 0.00 72.50 71.89 3adn s THR 56 CO 0.03 -0.28 0.83 -1.83 -0.69 0.00 0.00 174.62 172.67 3adn s GLU 57 N -1.24 3.85 -1.01 4.92 -1.05 -0.42 -2.46 118.70 121.30 3adn s GLU 57 Ca -0.13 0.63 -0.02 0.00 -0.15 0.00 0.00 54.97 55.31 3adn s GLU 57 Cb -0.06 -2.32 0.00 0.00 -0.44 0.00 0.00 34.13 31.31 3adn s GLU 57 CO 0.03 -0.08 0.22 -2.13 0.95 0.00 0.00 175.26 174.25 3adn n ARG 58 N -1.28 -2.19 0.00 -4.83 0.63 -1.26 -4.36 116.66 103.37 3adn n ARG 58 Ca 0.04 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 3adn n ARG 58 Cb 0.54 -4.75 0.00 0.00 0.45 0.00 0.00 32.46 28.70 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 -0.69 0.00 0.30 6.15 2.03 -1.25 -4.92 116.55 118.18 3adn n ASP 59 Ca -0.10 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.39 3adn n ASP 59 Cb 0.59 0.00 0.94 0.00 -0.72 0.00 0.00 41.12 41.94 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 0.00 -0.27 -0.67 9.09 -1.75 -2.96 114.58 118.02 3adn h GLU 60 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 3adn h GLU 60 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 3adn h GLU 60 CO 0.00 0.03 0.04 0.27 0.05 0.00 0.00 179.01 179.40 3adn h PHE 61 N 0.00 0.39 0.12 2.06 -0.00 -1.91 0.15 116.94 117.74 3adn h PHE 61 Ca -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 57.94 3adn h PHE 61 Cb 0.22 -0.12 0.00 0.00 -0.00 0.00 0.00 35.95 36.05 3adn h PHE 61 CO 0.00 0.37 -0.06 0.82 -0.00 0.00 0.00 178.31 179.45 3adn h ILE 62 N 0.38 1.07 -0.02 0.88 2.04 -1.94 0.13 117.51 120.06 3adn h ILE 62 Ca 0.09 -0.83 0.03 0.00 1.00 0.00 0.00 64.86 65.15 3adn h ILE 62 Cb 0.20 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3adn h ILE 62 CO 0.00 0.20 -0.18 0.22 0.00 0.00 0.00 178.15 178.39 3adn h TYR 63 N -0.55 -0.47 -0.06 1.37 3.20 -1.60 -2.22 116.97 116.65 3adn h TYR 63 Ca -0.02 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 3adn h TYR 63 Cb 0.44 0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.93 3adn h TYR 63 CO 0.05 -0.26 -0.58 0.45 -1.64 0.00 0.00 178.16 176.18 3adn h HIS 64 N -0.28 0.70 -0.85 -3.82 3.86 -0.74 -0.04 115.15 113.98 3adn h HIS 64 Ca 0.06 -0.34 0.08 0.00 -1.16 0.00 0.00 60.37 59.01 3adn h HIS 64 Cb 0.37 -0.10 -0.07 0.00 1.06 0.00 0.00 27.41 28.67 3adn h HIS 64 CO -0.24 1.14 0.51 0.93 0.86 0.00 0.00 177.93 181.13 3adn h GLU 65 N 0.06 0.88 -0.03 2.45 5.08 -0.77 -0.57 114.58 121.68 3adn h GLU 65 Ca -0.06 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.03 3adn h GLU 65 Cb 1.25 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3adn h GLU 65 CO 0.12 0.58 -0.90 0.52 -1.00 0.00 0.00 179.01 178.33 3adn h MET 66 N 0.91 0.49 0.00 2.33 2.86 -1.39 -1.17 114.93 118.96 3adn h MET 66 Ca 0.39 -0.49 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 3adn h MET 66 Cb 0.25 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3adn h MET 66 CO -0.20 1.13 -0.39 0.52 1.06 0.00 0.00 176.91 179.03 3adn h MET 67 N 0.29 0.00 0.00 1.72 2.86 -0.53 -3.32 114.93 115.95 3adn h MET 67 Ca -0.08 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.23 3adn h MET 67 Cb 1.53 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.14 3adn h MET 67 CO 0.16 0.39 -2.16 -2.37 1.06 0.00 0.00 176.91 173.99 3adn n THR 68 N -3.74 1.15 0.13 2.22 5.66 -0.26 -4.69 114.28 114.75 3adn n THR 68 Ca -0.01 -0.35 -0.01 0.00 -3.05 0.00 0.00 64.05 60.63 3adn n THR 68 Cb 0.47 -1.55 0.19 0.00 -1.55 0.00 0.00 70.33 67.89 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 -0.46 0.07 0.57 1.09 -0.00 -1.39 -2.60 115.15 112.44 3adn h HIS 69 Ca -0.50 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 59.82 3adn h HIS 69 Cb 1.55 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.94 3adn h HIS 69 CO -0.03 0.61 -0.42 0.28 -0.00 0.00 0.00 177.93 178.37 3adn h VAL 70 N 0.04 0.00 0.14 2.45 2.07 -1.72 -1.48 116.25 117.76 3adn h VAL 70 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3adn h VAL 70 Cb 1.02 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3adn h VAL 70 CO 0.08 0.00 -0.43 -0.65 0.02 0.00 0.00 177.57 176.59 3adn h PRO 71 N -0.95 -0.62 -0.99 1.57 0.11 -1.83 0.51 132.00 129.80 3adn h PRO 71 Ca -0.08 0.04 0.23 0.00 0.11 0.00 0.00 66.00 66.31 3adn h PRO 71 Cb 0.78 0.14 -0.12 0.00 0.11 0.00 0.00 31.00 31.91 3adn h PRO 71 CO 0.04 -0.41 0.57 -0.07 -0.21 0.00 0.00 178.00 177.91 3adn h LEU 72 N -0.65 0.65 0.04 2.35 4.07 -1.43 1.01 115.31 121.36 3adn h LEU 72 Ca -0.01 0.13 -0.26 0.00 0.08 0.00 0.00 57.88 57.82 3adn h LEU 72 Cb 0.63 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.38 3adn h LEU 72 CO -0.21 0.12 -1.34 -0.07 -1.08 0.00 0.00 178.44 175.86 3adn h LEU 73 N 0.59 0.15 -0.15 1.67 4.07 -1.13 -3.30 115.31 117.21 3adn h LEU 73 Ca 0.62 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 58.37 3adn h LEU 73 Cb 1.15 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 3adn h LEU 73 CO -0.47 1.16 0.05 0.00 -1.08 0.00 0.00 178.44 178.11 3adn h ALA 74 N 0.82 0.20 -2.81 1.53 0.00 0.82 -3.37 119.26 116.43 3adn h ALA 74 Ca -0.15 -0.12 -0.51 0.00 0.00 0.00 0.00 54.91 54.13 3adn h ALA 74 Cb 1.91 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 19.67 3adn h ALA 74 CO 0.13 -0.19 0.51 -1.58 0.00 0.00 0.00 179.25 178.13 3adn s HIS 75 N -5.42 3.47 -0.10 0.00 5.65 0.33 -4.87 115.29 114.34 3adn s HIS 75 Ca -0.14 1.63 -0.21 0.00 0.25 0.00 0.00 55.06 56.59 3adn s HIS 75 Cb 0.06 -3.37 -0.18 0.00 -1.18 0.00 0.00 32.58 27.91 3adn s HIS 75 CO 0.70 -0.84 0.69 0.78 -0.65 0.00 0.00 174.74 175.42 3adn h GLY 76 N 3.82 -0.06 -7.02 1.59 0.00 -1.76 -3.43 103.07 96.20 3adn h GLY 76 Ca -0.47 0.02 -0.62 0.00 0.00 0.00 0.00 47.33 46.26 3adn h GLY 76 CO 0.67 -0.02 -0.70 0.30 0.00 0.00 0.00 176.54 176.79 3adn s HIS 77 N -2.57 2.56 -0.34 5.60 0.09 -1.26 -4.89 115.29 114.49 3adn s HIS 77 Ca -0.14 -2.82 -0.19 0.00 -0.00 0.00 0.00 55.06 51.91 3adn s HIS 77 Cb -0.01 -2.19 -0.00 0.00 -0.00 0.00 0.00 32.58 30.37 3adn s HIS 77 CO 0.50 -0.71 0.59 0.00 -0.00 0.00 0.00 174.74 175.12 3adn s ALA 78 N -0.31 3.49 -0.17 -1.40 0.00 -1.26 -4.93 121.76 117.18 3adn s ALA 78 Ca 0.21 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 3adn s ALA 78 Cb -0.16 -3.09 -0.23 0.00 0.00 0.00 0.00 23.12 19.65 3adn s ALA 78 CO -0.07 -1.20 0.16 1.63 0.00 0.00 0.00 175.76 176.29 3adn n LYS 79 N 5.88 0.71 -4.24 0.00 5.02 -1.26 -4.13 118.16 120.14 3adn n LYS 79 Ca -0.02 0.25 -0.30 0.00 -2.02 0.00 0.00 58.31 56.21 3adn n LYS 79 Cb 0.49 -1.65 -0.16 0.00 -0.02 0.00 0.00 35.03 33.68 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 -2.53 2.29 -0.02 2.13 3.76 -1.26 -0.92 115.29 118.73 3adn s HIS 80 Ca -0.27 -1.23 0.02 0.00 -0.15 0.00 0.00 55.06 53.43 3adn s HIS 80 Cb 0.08 -1.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.10 3adn s HIS 80 CO 0.70 -0.63 -0.07 0.08 -0.85 0.00 0.00 174.74 173.97 3adn s VAL 81 N 1.23 3.65 -0.13 -0.90 1.01 0.15 -0.22 120.40 125.19 3adn s VAL 81 Ca 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3adn s VAL 81 Cb -0.14 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.70 3adn s VAL 81 CO -0.07 0.47 -0.21 -0.22 0.00 0.00 0.00 175.10 175.07 3adn s LEU 82 N -1.19 2.03 -0.15 3.92 1.98 0.73 -1.36 118.68 124.65 3adn s LEU 82 Ca 0.15 -0.57 0.00 0.00 -2.89 0.00 0.00 54.13 50.83 3adn s LEU 82 Cb -0.11 -1.37 -0.00 0.00 0.66 0.00 0.00 46.19 45.36 3adn s LEU 82 CO 0.05 0.07 -0.15 -0.63 -1.89 0.00 0.00 176.35 173.81 3adn s ILE 83 N 0.83 2.73 -0.28 6.68 1.01 0.29 -0.41 121.20 132.04 3adn s ILE 83 Ca -0.07 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 3adn s ILE 83 Cb -0.15 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 3adn s ILE 83 CO -0.01 0.51 0.10 -0.63 0.00 0.00 0.00 174.94 174.91 3adn s ILE 84 N 0.77 4.28 0.00 2.92 1.01 -0.46 -0.20 121.20 129.52 3adn s ILE 84 Ca -0.06 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3adn s ILE 84 Cb -0.15 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.19 3adn s ILE 84 CO 0.01 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.72 3adn n GLY 85 N 4.92 -1.77 1.71 6.18 0.00 -0.05 -1.15 105.19 115.03 3adn n GLY 85 Ca -0.15 -1.70 -0.01 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.96 0.10 -0.02 0.00 -1.26 -4.59 105.19 98.46 3adn n GLY 86 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 3adn n GLY 86 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3adn h GLY 87 N 0.32 0.11 -0.22 -0.02 0.00 -1.97 -3.35 103.07 97.95 3adn h GLY 87 Ca 0.00 -0.27 0.31 0.00 0.00 0.00 0.00 47.33 47.37 3adn h GLY 87 CO 0.03 0.24 0.77 1.29 0.00 0.00 0.00 176.54 178.87 3adn h ASP 88 N 0.03 0.13 0.00 0.19 -0.00 -1.92 -3.42 116.42 111.43 3adn h ASP 88 Ca -0.32 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.74 3adn h ASP 88 Cb 2.02 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 41.35 3adn h ASP 88 CO 0.09 0.02 0.00 0.61 -0.00 0.00 0.00 179.24 179.96 3adn n GLY 89 N -1.67 1.02 0.18 7.15 0.00 -1.26 -2.37 105.19 108.24 3adn n GLY 89 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.37 -0.86 4.61 0.00 -1.69 -2.61 119.26 118.33 3adn h ALA 90 Ca 0.00 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.92 3adn h ALA 90 Cb 0.00 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 17.78 3adn h ALA 90 CO 0.00 -0.60 -0.29 1.98 0.00 0.00 0.00 179.25 180.34 3adn h MET 91 N -0.58 -0.03 -0.03 0.00 4.05 -1.93 -1.93 114.93 114.48 3adn h MET 91 Ca -0.04 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.39 3adn h MET 91 Cb 0.42 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 3adn h MET 91 CO 0.06 -0.02 -0.12 1.25 0.23 0.00 0.00 176.91 178.32 3adn h LEU 92 N -0.03 -0.37 -1.83 3.39 5.85 -1.85 -2.18 115.31 118.30 3adn h LEU 92 Ca 0.37 0.04 0.37 0.00 0.84 0.00 0.00 57.88 59.50 3adn h LEU 92 Cb 0.62 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.72 3adn h LEU 92 CO -0.89 -0.10 0.90 0.08 -0.34 0.00 0.00 178.44 178.08 3adn h ARG 93 N -0.12 0.08 0.52 1.25 0.11 -0.98 0.65 114.38 115.88 3adn h ARG 93 Ca 0.01 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.06 3adn h ARG 93 Cb 0.14 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.21 3adn h ARG 93 CO -0.09 0.05 -0.25 0.93 0.10 0.00 0.00 179.97 180.71 3adn h GLU 94 N 0.08 -0.67 -1.00 0.08 4.39 -1.08 -2.54 114.58 113.84 3adn h GLU 94 Ca 0.65 0.05 0.24 0.00 0.34 0.00 0.00 59.36 60.63 3adn h GLU 94 Cb 2.36 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 31.08 3adn h GLU 94 CO -0.10 -0.43 0.64 0.28 -1.16 0.00 0.00 179.01 178.25 3adn h VAL 95 N -1.16 0.59 -0.93 3.13 2.07 -0.69 0.52 116.25 119.78 3adn h VAL 95 Ca -0.07 -0.15 0.22 0.00 0.82 0.00 0.00 66.70 67.51 3adn h VAL 95 Cb 0.56 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 3adn h VAL 95 CO 0.12 0.08 0.61 0.74 0.02 0.00 0.00 177.57 179.14 3adn h THR 96 N 0.44 0.65 0.00 2.57 2.02 -0.67 0.22 112.91 118.14 3adn h THR 96 Ca 0.56 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.60 3adn h THR 96 Cb 1.34 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3adn h THR 96 CO -0.27 0.07 0.00 0.54 0.37 0.00 0.00 175.52 176.23 3adn n ARG 97 N -4.52 0.43 -3.48 6.66 1.74 0.18 -4.35 116.66 113.33 3adn n ARG 97 Ca 0.20 0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.87 3adn n ARG 97 Cb 0.74 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 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 -2.06 3.60 0.03 -1.55 3.76 0.06 -4.96 115.29 114.17 3adn s HIS 98 Ca 0.21 -2.21 -0.07 0.00 -0.15 0.00 0.00 55.06 52.84 3adn s HIS 98 Cb 0.10 -3.58 -0.02 0.00 1.11 0.00 0.00 32.58 30.18 3adn s HIS 98 CO 0.18 -0.94 1.12 0.87 -0.85 0.00 0.00 174.74 175.11 3adn h LYS 99 N 7.59 -0.08 -0.75 1.40 1.57 -1.85 -1.37 116.57 123.08 3adn h LYS 99 Ca 0.03 0.01 0.22 0.00 -1.87 0.00 0.00 60.65 59.03 3adn h LYS 99 Cb 1.01 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 3adn h LYS 99 CO 0.76 -0.06 0.96 0.09 -0.57 0.00 0.00 179.45 180.63 3adn n ASN 100 N -3.26 0.00 -4.69 0.86 3.02 -1.26 -4.26 115.26 105.67 3adn n ASN 100 Ca -0.01 0.58 -0.42 0.00 -0.03 0.00 0.00 54.58 54.70 3adn n ASN 100 Cb 0.07 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 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 -3.89 3.54 -0.99 2.41 1.01 -0.52 -4.73 120.40 117.23 3adn s VAL 101 Ca -0.02 0.94 0.11 0.00 0.00 0.00 0.00 61.98 63.01 3adn s VAL 101 Cb 0.10 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3adn s VAL 101 CO 0.34 -0.00 0.66 -1.84 0.00 0.00 0.00 175.10 174.25 3adn n GLU 102 N 5.47 2.15 -3.57 2.72 0.28 -0.10 -4.97 120.64 122.61 3adn n GLU 102 Ca 0.14 -0.58 -0.09 0.00 -0.16 0.00 0.00 57.16 56.47 3adn n GLU 102 Cb 0.43 -1.12 -0.10 0.00 1.43 0.00 0.00 31.44 32.09 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 -1.55 -0.02 -0.10 -1.84 0.15 -0.66 -4.82 113.70 104.86 3adn s SER 103 Ca 0.09 0.72 0.03 0.00 0.70 0.00 0.00 55.95 57.48 3adn s SER 103 Cb 0.09 1.19 -0.01 0.00 -1.71 0.00 0.00 66.02 65.57 3adn s SER 103 CO 0.31 -0.25 -0.18 -0.63 1.20 0.00 0.00 173.24 173.69 3adn s ILE 104 N 2.57 2.65 -0.06 6.45 1.01 -0.20 -0.67 121.20 132.95 3adn s ILE 104 Ca 0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 3adn s ILE 104 Cb -0.13 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.31 3adn s ILE 104 CO -0.13 0.55 -0.01 -0.89 0.00 0.00 0.00 174.94 174.47 3adn s THR 105 N 0.06 0.37 -0.05 2.92 2.01 -0.46 -2.12 115.64 118.36 3adn s THR 105 Ca -0.07 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3adn s THR 105 Cb -0.15 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 3adn s THR 105 CO 0.05 0.23 -0.03 -0.32 -0.69 0.00 0.00 174.62 173.87 3adn s MET 106 N 1.60 2.82 -0.21 4.92 1.75 -1.05 0.10 119.30 129.24 3adn s MET 106 Ca -0.01 -0.53 0.01 0.00 -1.25 0.00 0.00 55.69 53.91 3adn s MET 106 Cb -0.13 -2.67 0.05 0.00 2.84 0.00 0.00 34.83 34.92 3adn s MET 106 CO -0.03 0.66 -0.08 0.08 -0.65 0.00 0.00 175.02 174.99 3adn s VAL 107 N -0.92 1.57 0.28 10.11 1.01 0.72 -1.62 120.40 131.55 3adn s VAL 107 Ca 0.15 -1.05 0.11 0.00 0.00 0.00 0.00 61.98 61.19 3adn s VAL 107 Cb -0.11 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 3adn s VAL 107 CO 0.04 0.09 -0.11 -0.70 0.00 0.00 0.00 175.10 174.42 3adn s GLU 108 N 1.41 1.96 -0.02 2.72 2.56 -0.31 -0.88 118.70 126.15 3adn s GLU 108 Ca -0.03 -1.62 -0.24 0.00 0.00 0.00 0.00 54.97 53.09 3adn s GLU 108 Cb -0.17 -1.94 -0.20 0.00 2.00 0.00 0.00 34.13 33.82 3adn s GLU 108 CO -0.07 0.34 1.20 0.82 -0.56 0.00 0.00 175.26 176.98 3adn h ILE 109 N 2.09 1.44 -3.68 -3.70 2.04 -1.92 -3.36 117.51 110.42 3adn h ILE 109 Ca -0.42 -1.49 -0.36 0.00 1.00 0.00 0.00 64.86 63.59 3adn h ILE 109 Cb 1.26 2.31 -0.31 0.00 -0.74 0.00 0.00 36.82 39.33 3adn h ILE 109 CO 0.60 0.41 -0.76 1.51 0.00 0.00 0.00 178.15 179.92 3adn s ASP 110 N -6.05 0.70 0.00 1.72 3.84 -1.26 -4.92 116.67 110.70 3adn s ASP 110 Ca -0.15 -0.10 0.02 0.00 -0.00 0.00 0.00 52.55 52.32 3adn s ASP 110 Cb 0.02 -0.23 0.10 0.00 -1.38 0.00 0.00 42.92 41.43 3adn s ASP 110 CO 0.72 -0.01 0.39 0.00 -0.00 0.00 0.00 175.17 176.27 3adn n ALA 111 N 3.56 1.62 -0.09 2.11 0.00 -1.26 -2.21 120.51 124.24 3adn n ALA 111 Ca -0.20 -0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.05 3adn n ALA 111 Cb 0.54 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 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 0.61 0.00 1.99 0.00 0.00 -2.00 -3.31 103.07 100.36 3adn h GLY 112 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3adn h GLY 112 CO 0.00 0.00 -0.17 -0.24 0.00 0.00 0.00 176.54 176.13 3adn h VAL 113 N -1.00 1.13 0.36 4.60 3.04 -1.87 -0.46 116.25 122.04 3adn h VAL 113 Ca -0.20 -0.59 -0.02 0.00 -1.01 0.00 0.00 66.70 64.88 3adn h VAL 113 Cb 1.15 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 3adn h VAL 113 CO -0.12 0.17 -0.17 -0.37 -1.01 0.00 0.00 177.57 176.06 3adn h VAL 114 N 0.01 0.58 -0.58 1.51 -1.51 -1.74 -1.34 116.25 113.18 3adn h VAL 114 Ca 0.00 -0.56 0.10 0.00 -1.23 0.00 0.00 66.70 65.01 3adn h VAL 114 Cb 0.30 0.83 -0.03 0.00 -2.13 0.00 0.00 31.29 30.26 3adn h VAL 114 CO 0.02 0.10 0.39 0.77 -1.23 0.00 0.00 177.57 177.62 3adn h SER 115 N -0.84 0.34 0.76 4.19 4.64 -1.61 0.22 113.55 121.25 3adn h SER 115 Ca -0.05 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 3adn h SER 115 Cb 0.53 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3adn h SER 115 CO 0.08 0.20 -0.37 0.15 -0.87 0.00 0.00 176.83 176.03 3adn h PHE 116 N 0.37 -0.95 -0.73 4.77 3.57 -0.84 -3.04 116.94 120.09 3adn h PHE 116 Ca 0.27 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3adn h PHE 116 Cb 0.57 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 3adn h PHE 116 CO -0.00 -0.59 0.43 0.00 -2.23 0.00 0.00 178.31 175.92 3adn n ARG 118 N -4.39 0.00 -0.11 0.00 0.63 0.74 -0.24 116.66 113.29 3adn n ARG 118 Ca 0.07 0.43 -0.22 0.00 -0.92 0.00 0.00 57.85 57.21 3adn n ARG 118 Cb 0.07 -1.52 -0.07 0.00 0.45 0.00 0.00 32.46 31.38 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 -1.42 0.48 0.08 -0.14 7.27 0.24 -4.45 117.38 119.42 3adn n GLN 119 Ca 0.00 0.21 0.06 0.00 0.07 0.00 0.00 57.00 57.33 3adn n GLN 119 Cb 0.02 -1.31 -0.03 0.00 2.41 0.00 0.00 30.24 31.33 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 -0.82 0.00 -2.20 3.69 0.05 -1.21 -3.38 116.97 113.09 3adn h TYR 120 Ca -0.49 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 57.70 3adn h TYR 120 Cb 1.39 0.00 -0.42 0.00 1.01 0.00 0.00 36.73 38.72 3adn h TYR 120 CO -0.12 0.29 -0.66 1.28 -1.05 0.00 0.00 178.16 177.90 3adn n LEU 121 N -2.81 3.63 -0.27 3.88 4.77 0.66 -4.92 117.00 121.95 3adn n LEU 121 Ca -0.04 -5.45 -0.02 0.00 -0.03 0.00 0.00 56.01 50.47 3adn n LEU 121 Cb 0.69 -0.50 0.10 0.00 -2.33 0.00 0.00 43.42 41.38 3adn n LEU 121 CO 0.41 2.15 1.16 1.55 -1.33 0.00 0.00 177.39 181.34 3adn h PRO 122 N 3.79 0.88 0.00 3.23 0.13 -1.76 -2.79 132.00 135.48 3adn h PRO 122 Ca 0.17 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3adn h PRO 122 Cb 0.64 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.57 3adn h PRO 122 CO 0.80 0.58 0.00 0.09 -0.23 0.00 0.00 178.00 179.24 3adn n ASN 123 N -4.64 0.00 -0.06 1.44 3.02 -1.26 0.03 115.26 113.79 3adn n ASN 123 Ca 0.09 0.34 -0.19 0.00 -0.03 0.00 0.00 54.58 54.80 3adn n ASN 123 Cb 0.11 -0.42 -0.13 0.00 -0.61 0.00 0.00 39.78 38.73 3adn n ASN 123 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 3adn h HIS 124 N 0.00 0.13 0.38 3.10 3.86 -1.72 -3.34 115.15 117.55 3adn h HIS 124 Ca 0.00 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 3adn h HIS 124 Cb 0.20 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 3adn h HIS 124 CO 0.00 1.31 -0.22 -0.97 0.86 0.00 0.00 177.93 178.90 3adn h ASN 125 N -0.81 -0.55 -4.03 2.45 -0.73 -1.17 -2.18 115.58 108.55 3adn h ASN 125 Ca -0.19 0.03 -0.41 0.00 1.87 0.00 0.00 56.30 57.60 3adn h ASN 125 Cb 1.31 0.16 0.03 0.00 0.27 0.00 0.00 38.32 40.09 3adn h ASN 125 CO -0.05 -0.36 -0.58 0.00 -0.37 0.00 0.00 177.43 176.07 3adn n ALA 126 N -2.40 -0.86 -1.10 1.57 0.00 0.10 -1.12 120.51 116.70 3adn n ALA 126 Ca -0.10 0.24 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 3adn n ALA 126 Cb 0.26 -3.31 -0.02 0.00 0.00 0.00 0.00 19.45 16.38 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 -1.35 0.50 0.24 0.00 0.00 -1.26 -4.86 105.19 98.46 3adn n GLY 127 Ca -0.15 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.78 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 0.27 0.17 1.61 0.87 -1.47 -2.94 113.55 112.06 3adn h SER 128 Ca -0.07 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3adn h SER 128 Cb 0.72 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 3adn h SER 128 CO 0.11 0.45 0.00 -1.22 -0.53 0.00 0.00 176.83 175.64 3adn n TYR 129 N -4.23 0.68 1.53 2.24 4.01 -1.26 -1.86 117.16 118.27 3adn n TYR 129 Ca -0.01 0.33 0.14 0.00 -0.16 0.00 0.00 57.90 58.21 3adn n TYR 129 Cb 0.30 -1.03 0.60 0.00 -0.31 0.00 0.00 39.34 38.89 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 -2.18 0.95 -4.76 7.72 8.00 -1.11 -4.91 116.55 120.26 3adn n ASP 130 Ca -0.00 -1.13 -0.41 0.00 0.71 0.00 0.00 54.79 53.96 3adn n ASP 130 Cb 0.08 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.17 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 -2.17 6.62 0.19 -2.24 3.68 -0.78 -4.90 116.67 117.07 3adn s ASP 131 Ca 0.36 2.77 0.21 0.00 2.13 0.00 0.00 52.55 58.02 3adn s ASP 131 Cb 0.21 -2.64 0.88 0.00 -1.45 0.00 0.00 42.92 39.92 3adn s ASP 131 CO 0.40 -0.69 1.65 -0.81 0.13 0.00 0.00 175.17 175.85 3adn n PRO 132 N 1.34 0.14 0.00 4.34 -0.04 -1.26 -2.83 135.00 136.70 3adn n PRO 132 Ca 0.03 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 64.00 3adn n PRO 132 Cb 0.40 -1.77 0.41 0.00 -0.04 0.00 0.00 33.50 32.50 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 -2.04 1.17 -3.54 0.54 1.74 -1.26 -4.93 116.66 108.33 3adn n ARG 133 Ca 0.02 -0.70 -0.34 0.00 -0.77 0.00 0.00 57.85 56.06 3adn n ARG 133 Cb 0.21 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.12 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 -2.32 3.56 -0.16 -1.55 5.36 -1.13 -1.03 117.98 120.72 3adn s PHE 134 Ca 0.29 0.81 -0.06 0.00 -0.96 0.00 0.00 56.93 57.01 3adn s PHE 134 Cb 0.20 -2.18 0.07 0.00 -0.34 0.00 0.00 43.02 40.77 3adn s PHE 134 CO 0.45 0.47 0.33 0.15 -1.46 0.00 0.00 175.22 175.17 3adn s LYS 135 N -2.10 0.24 0.09 10.12 1.02 -0.90 -4.99 119.74 123.22 3adn s LYS 135 Ca 0.36 0.84 -0.16 0.00 0.02 0.00 0.00 55.97 57.03 3adn s LYS 135 Cb -0.14 0.09 -0.07 0.00 -0.52 0.00 0.00 37.83 37.20 3adn s LYS 135 CO 0.19 -0.25 0.53 -1.17 -0.92 0.00 0.00 175.35 173.73 3adn s LEU 136 N 2.27 4.43 -0.01 3.17 2.96 -1.26 -2.52 118.68 127.73 3adn s LEU 136 Ca -0.02 1.11 0.02 0.00 -0.22 0.00 0.00 54.13 55.03 3adn s LEU 136 Cb -0.11 -3.01 -0.01 0.00 0.50 0.00 0.00 46.19 43.56 3adn s LEU 136 CO -0.11 0.21 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.36 3adn s VAL 137 N -1.27 0.62 -1.19 1.68 1.01 -0.64 -4.98 120.40 115.64 3adn s VAL 137 Ca 0.32 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 3adn s VAL 137 Cb -0.17 -0.53 0.23 0.00 0.00 0.00 0.00 36.38 35.92 3adn s VAL 137 CO 0.18 0.18 1.70 -0.38 0.00 0.00 0.00 175.10 176.78 3adn n ILE 138 N 2.93 4.80 0.00 2.22 2.08 -1.26 -1.16 119.36 128.97 3adn n ILE 138 Ca -0.14 -5.10 0.00 0.00 0.56 0.00 0.00 62.75 58.07 3adn n ILE 138 Cb 0.57 -2.23 0.00 0.00 -0.75 0.00 0.00 39.64 37.23 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 2.42 0.00 -4.32 1.39 0.31 -1.26 -4.88 118.33 111.99 3adn n VAL 145 Ca 0.33 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.43 3adn n VAL 145 Cb 0.35 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.16 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 2.69 0.00 4.52 2.47 -1.26 -5.08 114.94 118.28 3adn s ASN 146 Ca 0.00 -0.77 0.00 0.00 0.42 0.00 0.00 52.86 52.51 3adn s ASN 146 Cb 0.00 -0.16 0.00 0.00 -1.45 0.00 0.00 41.25 39.64 3adn s ASN 146 CO 0.00 0.03 0.00 0.00 -3.72 0.00 0.00 177.10 173.41 3adn n GLN 147 N 0.70 0.00 -0.78 0.43 3.00 -1.26 -4.95 117.38 114.51 3adn n GLN 147 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 3adn n GLN 147 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.79 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 -0.90 0.00 -3.77 5.09 -1.04 -1.26 -2.16 114.28 110.24 3adn n THR 148 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 3adn n THR 148 Cb 0.00 -0.64 0.02 0.00 -1.82 0.00 0.00 70.33 67.89 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 -0.42 -2.97 -0.05 8.00 3.41 -1.26 -4.90 113.62 115.44 3adn n SER 149 Ca 0.00 -0.98 -0.05 0.00 -0.26 0.00 0.00 58.87 57.59 3adn n SER 149 Cb 0.21 -3.42 -0.14 0.00 -0.26 0.00 0.00 64.21 60.60 3adn n SER 149 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3adn n GLN 150 N -4.26 0.66 -1.74 4.33 7.27 -0.92 -5.11 117.38 117.62 3adn n GLN 150 Ca -0.20 0.06 0.00 0.00 0.07 0.00 0.00 57.00 56.93 3adn n GLN 150 Cb 0.64 -1.62 0.00 0.00 2.41 0.00 0.00 30.24 31.67 3adn n GLN 150 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 3adn n THR 151 N -2.75 -5.59 -4.03 1.69 5.66 -1.24 -5.08 114.28 102.95 3adn n THR 151 Ca -0.21 2.57 -0.09 0.00 -3.05 0.00 0.00 64.05 63.27 3adn n THR 151 Cb 0.99 -3.57 -0.08 0.00 -1.55 0.00 0.00 70.33 66.11 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 -3.69 0.55 -0.15 1.09 0.08 -0.32 -4.90 117.98 110.63 3adn s PHE 152 Ca 0.00 -0.93 0.18 0.00 0.12 0.00 0.00 56.93 56.29 3adn s PHE 152 Cb 0.00 -0.23 -0.25 0.00 -0.57 0.00 0.00 43.02 41.97 3adn s PHE 152 CO 0.00 -0.61 0.25 -0.25 -0.10 0.00 0.00 175.22 174.51 3adn n ASP 153 N -0.14 0.19 -3.70 1.36 8.00 0.69 0.57 116.55 123.52 3adn n ASP 153 Ca -0.08 0.09 -0.16 0.00 0.71 0.00 0.00 54.79 55.35 3adn n ASP 153 Cb 0.63 0.89 -0.16 0.00 -0.02 0.00 0.00 41.12 42.47 3adn n ASP 153 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3adn s VAL 154 N -2.64 -0.16 -0.26 2.53 1.01 -1.17 -2.03 120.40 117.67 3adn s VAL 154 Ca -0.09 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 3adn s VAL 154 Cb 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 36.21 3adn s VAL 154 CO 0.84 0.13 0.04 -0.63 0.00 0.00 0.00 175.10 175.47 3adn s ILE 155 N 1.86 3.81 -0.21 2.22 1.01 -0.40 -0.19 121.20 129.30 3adn s ILE 155 Ca -0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 3adn s ILE 155 Cb -0.12 -2.87 -0.00 0.00 0.01 0.00 0.00 42.46 39.48 3adn s ILE 155 CO -0.05 0.23 -0.08 -0.63 0.00 0.00 0.00 174.94 174.41 3adn s ILE 156 N 1.51 3.08 -0.25 2.92 1.01 0.45 -1.57 121.20 128.35 3adn s ILE 156 Ca 0.04 -0.59 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 3adn s ILE 156 Cb -0.16 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 3adn s ILE 156 CO 0.01 0.45 0.15 -0.55 0.00 0.00 0.00 174.94 175.00 3adn s SER 157 N 1.43 5.95 -0.14 3.58 0.15 -0.20 -1.36 113.70 123.12 3adn s SER 157 Ca 0.06 0.05 -0.10 0.00 0.70 0.00 0.00 55.95 56.65 3adn s SER 157 Cb -0.14 -2.08 -0.05 0.00 -1.71 0.00 0.00 66.02 62.05 3adn s SER 157 CO -0.05 0.04 0.19 -0.62 1.20 0.00 0.00 173.24 173.99 3adn s ASP 158 N 1.22 6.38 -0.22 5.45 -1.08 -0.30 -3.57 116.67 124.54 3adn s ASP 158 Ca 0.07 0.44 -0.40 0.00 -0.52 0.00 0.00 52.55 52.14 3adn s ASP 158 Cb -0.14 -2.11 -0.17 0.00 -1.46 0.00 0.00 42.92 39.04 3adn s ASP 158 CO 0.06 0.27 1.62 0.00 0.52 0.00 0.00 175.17 177.63 3adn n THR 171 N 3.96 0.00 0.35 0.00 5.66 -1.26 -5.02 114.28 117.97 3adn n THR 171 Ca 0.25 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.37 3adn n THR 171 Cb 0.12 0.00 0.52 0.00 -1.55 0.00 0.00 70.33 69.41 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 0.66 0.08 1.09 3.41 -1.26 -2.53 113.62 115.07 3adn n SER 172 Ca 0.00 0.69 0.01 0.00 -0.26 0.00 0.00 58.87 59.31 3adn n SER 172 Cb 0.00 -0.82 -0.03 0.00 -0.26 0.00 0.00 64.21 63.10 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 2.21 0.65 0.39 7.33 0.00 -2.01 -3.33 119.26 124.49 3adn h ALA 173 Ca 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 3adn h ALA 173 Cb 0.29 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3adn h ALA 173 CO 0.00 0.76 -0.19 0.35 0.00 0.00 0.00 179.25 180.17 3adn h PHE 174 N 0.00 -0.48 -1.03 0.00 3.57 -1.95 -3.21 116.94 113.84 3adn h PHE 174 Ca -0.08 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 61.66 3adn h PHE 174 Cb 1.48 0.16 -0.11 0.00 2.79 0.00 0.00 35.95 40.27 3adn h PHE 174 CO 0.00 -0.18 0.63 1.88 -2.23 0.00 0.00 178.31 178.41 3adn h TYR 175 N -0.76 0.84 -0.13 0.41 0.05 -1.69 -0.22 116.97 115.48 3adn h TYR 175 Ca -0.05 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.65 3adn h TYR 175 Cb 0.52 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 3adn h TYR 175 CO 0.00 0.07 -0.39 1.49 -1.05 0.00 0.00 178.16 178.28 3adn h GLU 176 N 0.50 0.27 0.03 4.88 4.81 -1.66 -2.88 114.58 120.53 3adn h GLU 176 Ca 0.62 -0.12 -0.22 0.00 -0.13 0.00 0.00 59.36 59.51 3adn h GLU 176 Cb 1.36 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 3adn h GLU 176 CO -0.39 0.62 -1.02 0.78 -0.73 0.00 0.00 179.01 178.27 3adn h GLY 177 N 1.17 0.12 0.97 1.92 0.00 -1.09 -2.95 103.07 103.20 3adn h GLY 177 Ca 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 3adn h GLY 177 CO 0.06 0.24 0.06 0.00 0.00 0.00 0.00 176.54 176.90 3adn h LYS 179 N 0.10 0.82 -0.15 0.00 3.64 -1.56 -1.70 116.57 117.72 3adn h LYS 179 Ca 0.03 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3adn h LYS 179 Cb 0.03 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3adn h LYS 179 CO -0.01 0.54 -0.04 0.00 -2.27 0.00 0.00 179.45 177.68 3adn h ARG 180 N 0.85 0.22 -0.45 1.90 3.08 -1.24 -2.28 114.38 116.45 3adn h ARG 180 Ca 0.42 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 60.27 3adn h ARG 180 Cb 0.38 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.29 3adn h ARG 180 CO -0.25 0.28 0.08 0.00 -1.07 0.00 0.00 179.97 179.01 3adn s LEU 182 N -3.09 2.78 1.35 0.00 2.96 -0.72 -1.17 118.68 120.79 3adn s LEU 182 Ca 0.47 -0.28 -0.19 0.00 -0.22 0.00 0.00 54.13 53.91 3adn s LEU 182 Cb 0.40 -1.62 0.35 0.00 0.50 0.00 0.00 46.19 45.82 3adn s LEU 182 CO 0.06 0.21 0.95 0.20 -1.32 0.00 0.00 176.35 176.44 3adn s ASN 183 N 0.10 -0.55 0.00 3.68 -0.87 0.19 -4.80 114.94 112.70 3adn s ASN 183 Ca -0.05 1.15 0.00 0.00 -1.57 0.00 0.00 52.86 52.38 3adn s ASN 183 Cb -0.15 -1.71 0.00 0.00 -0.02 0.00 0.00 41.25 39.37 3adn s ASN 183 CO 0.04 -5.09 0.88 -2.65 -2.57 0.00 0.00 177.10 167.71 3adn n PRO 184 N -5.48 0.00 -0.49 -0.60 -0.02 -1.26 -2.44 135.00 124.71 3adn n PRO 184 Ca 0.08 0.80 -0.01 0.00 -2.02 0.00 0.00 63.50 62.35 3adn n PRO 184 Cb 0.58 -1.38 0.16 0.00 -0.02 0.00 0.00 33.50 32.84 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 -0.98 2.53 3.63 -1.23 0.00 -1.26 -4.73 105.19 103.15 3adn n GLY 185 Ca 0.00 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 0.12 -0.65 3.37 -0.02 0.00 -1.02 -4.76 105.19 102.23 3adn n GLY 186 Ca 0.18 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.56 2.40 -0.15 -0.61 1.01 -0.86 -4.36 121.20 116.06 3adn s ILE 187 Ca 0.66 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 60.26 3adn s ILE 187 Cb -0.23 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.35 3adn s ILE 187 CO 0.59 0.52 -0.20 0.12 0.00 0.00 0.00 174.94 175.97 3adn s PHE 188 N -0.71 2.64 0.07 3.97 5.36 -0.18 -1.28 117.98 127.86 3adn s PHE 188 Ca 0.11 -1.43 0.06 0.00 -0.96 0.00 0.00 56.93 54.71 3adn s PHE 188 Cb -0.10 -1.82 -0.03 0.00 -0.34 0.00 0.00 43.02 40.73 3adn s PHE 188 CO 0.01 -0.69 -0.17 0.14 -1.46 0.00 0.00 175.22 173.05 3adn s VAL 189 N 1.06 1.36 0.07 3.12 -7.23 -0.61 -1.78 120.40 116.38 3adn s VAL 189 Ca -0.01 -1.29 -0.19 0.00 -1.81 0.00 0.00 61.98 58.68 3adn s VAL 189 Cb -0.14 -1.25 0.04 0.00 0.56 0.00 0.00 36.38 35.59 3adn s VAL 189 CO -0.07 -0.07 0.44 0.00 -0.31 0.00 0.00 175.10 175.10 3adn s ALA 190 N -1.08 -1.08 0.31 1.32 0.00 -0.87 -1.03 121.76 119.33 3adn s ALA 190 Ca 0.03 0.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.05 3adn s ALA 190 Cb -0.09 0.46 -0.10 0.00 0.00 0.00 0.00 23.12 23.39 3adn s ALA 190 CO 0.03 -0.53 0.86 -1.14 0.00 0.00 0.00 175.76 174.98 3adn s GLN 191 N -2.85 4.38 0.00 0.00 -0.44 -1.23 0.35 119.66 119.87 3adn s GLN 191 Ca -0.03 1.10 0.00 0.00 -2.50 0.00 0.00 55.36 53.93 3adn s GLN 191 Cb -0.00 -2.68 0.00 0.00 -1.64 0.00 0.00 33.01 28.69 3adn s GLN 191 CO -0.05 0.25 0.70 0.09 0.50 0.00 0.00 175.29 176.77 3adn n ASN 192 N 0.31 1.18 -0.25 6.67 4.13 0.53 -4.75 115.26 123.08 3adn n ASN 192 Ca 0.02 -1.48 0.03 0.00 1.68 0.00 0.00 54.58 54.82 3adn n ASN 192 Cb 0.51 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.74 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 -0.24 -2.78 3.68 7.41 0.00 -1.23 -4.76 105.19 107.27 3adn n GLY 193 Ca 0.00 -1.37 -0.48 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.33 0.55 -0.47 1.61 3.14 -1.26 -2.45 118.33 117.12 3adn n VAL 194 Ca -0.01 -0.10 -0.05 0.00 -2.96 0.00 0.00 64.34 61.21 3adn n VAL 194 Cb 0.11 -1.85 0.22 0.00 -1.06 0.00 0.00 33.84 31.26 3adn n VAL 194 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3adn h PHE 196 N 1.88 -0.05 -3.23 0.00 3.57 -1.77 -3.42 116.94 113.93 3adn h PHE 196 Ca 0.21 -0.00 -0.74 0.00 3.53 0.00 0.00 57.97 60.97 3adn h PHE 196 Cb 1.93 0.02 -0.27 0.00 2.79 0.00 0.00 35.95 40.42 3adn h PHE 196 CO 0.96 0.59 -0.32 -0.48 -2.23 0.00 0.00 178.31 176.82 3adn s LEU 197 N -8.61 5.85 0.00 0.59 2.34 -1.26 -4.87 118.68 112.72 3adn s LEU 197 Ca -0.14 -1.79 0.00 0.00 0.06 0.00 0.00 54.13 52.26 3adn s LEU 197 Cb -0.01 -2.10 0.00 0.00 -0.56 0.00 0.00 46.19 43.52 3adn s LEU 197 CO 0.53 -0.75 0.00 1.67 -1.06 0.00 0.00 176.35 176.75 3adn n GLN 198 N 5.07 0.00 -0.03 1.48 0.00 -1.26 -4.99 117.38 117.64 3adn n GLN 198 Ca -0.11 0.08 0.01 0.00 -0.00 0.00 0.00 57.00 56.98 3adn n GLN 198 Cb 0.41 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.68 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 2.06 2.01 -0.05 3.69 3.00 -1.26 -4.61 117.38 122.21 3adn n GLN 199 Ca 0.00 -1.39 -0.12 0.00 -0.01 0.00 0.00 57.00 55.48 3adn n GLN 199 Cb 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 30.24 29.11 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 0.55 0.31 -0.97 -1.09 5.08 -1.97 -1.11 114.58 115.39 3adn h GLU 200 Ca 0.00 -0.13 0.24 0.00 -1.00 0.00 0.00 59.36 58.47 3adn h GLU 200 Cb 0.44 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.61 3adn h GLU 200 CO 0.00 0.63 0.65 0.93 -1.00 0.00 0.00 179.01 180.21 3adn h GLU 201 N -0.01 0.31 0.05 2.33 5.08 -1.93 -0.61 114.58 119.80 3adn h GLU 201 Ca 0.04 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 3adn h GLU 201 Cb 0.53 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.72 3adn h GLU 201 CO 0.02 0.20 -0.58 0.00 -1.00 0.00 0.00 179.01 177.66 3adn h ALA 202 N 1.59 -0.00 -0.66 3.43 0.00 -1.78 -3.01 119.26 118.82 3adn h ALA 202 Ca 0.51 -0.60 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3adn h ALA 202 Cb 1.44 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.22 3adn h ALA 202 CO -0.18 0.29 0.34 0.82 0.00 0.00 0.00 179.25 180.52 3adn h ILE 203 N -0.35 0.91 0.73 0.00 2.04 0.11 0.01 117.51 120.95 3adn h ILE 203 Ca -0.09 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 3adn h ILE 203 Cb 1.36 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3adn h ILE 203 CO 0.11 0.11 -0.35 0.44 0.00 0.00 0.00 178.15 178.46 3adn h ASP 204 N 0.62 -0.83 -0.65 1.72 5.19 -1.29 -1.31 116.42 119.87 3adn h ASP 204 Ca 0.31 0.01 0.14 0.00 -0.62 0.00 0.00 57.03 56.86 3adn h ASP 204 Cb 0.26 0.22 -0.12 0.00 0.18 0.00 0.00 39.33 39.87 3adn h ASP 204 CO -0.22 -0.53 -0.07 0.28 -3.12 0.00 0.00 179.24 175.58 3adn h SER 205 N -1.10 -0.44 -0.29 6.45 0.02 -1.36 0.34 113.55 117.18 3adn h SER 205 Ca -0.10 0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3adn h SER 205 Cb 0.78 0.34 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 3adn h SER 205 CO 0.16 -0.17 0.12 -0.74 -1.14 0.00 0.00 176.83 175.06 3adn h HIS 206 N 0.06 0.21 -0.53 3.45 -0.00 -0.89 0.59 115.15 118.03 3adn h HIS 206 Ca 0.33 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.69 3adn h HIS 206 Cb 0.53 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.87 3adn h HIS 206 CO -0.45 0.10 0.22 -0.09 -0.00 0.00 0.00 177.93 177.72 3adn h ARG 207 N 0.25 0.78 -0.15 5.26 2.43 0.10 0.12 114.38 123.18 3adn h ARG 207 Ca 0.13 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3adn h ARG 207 Cb 0.08 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3adn h ARG 207 CO -0.11 0.68 -0.04 0.87 -1.51 0.00 0.00 179.97 179.86 3adn h LYS 208 N 0.71 0.29 -0.17 0.20 1.57 -0.06 -3.05 116.57 116.06 3adn h LYS 208 Ca 0.18 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3adn h LYS 208 Cb 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3adn h LYS 208 CO -0.02 0.57 0.08 -0.07 -0.57 0.00 0.00 179.45 179.45 3adn h LEU 209 N -0.02 0.22 0.00 2.94 4.07 0.23 -2.22 115.31 120.53 3adn h LEU 209 Ca 0.04 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.88 3adn h LEU 209 Cb 0.47 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.16 3adn h LEU 209 CO 0.02 0.27 0.12 -1.20 -1.08 0.00 0.00 178.44 176.57 3adn n SER 210 N -4.90 0.00 0.03 -0.43 7.64 0.43 -0.73 113.62 115.66 3adn n SER 210 Ca -0.04 0.36 0.13 0.00 1.01 0.00 0.00 58.87 60.33 3adn n SER 210 Cb 0.09 -0.36 0.38 0.00 -1.01 0.00 0.00 64.21 63.30 3adn n SER 210 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3adn n HIS 211 N -1.36 0.28 0.00 1.43 -0.00 -0.83 -4.33 115.22 110.41 3adn n HIS 211 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 3adn n HIS 211 Cb 0.12 -0.54 0.00 0.00 -0.00 0.00 0.00 29.99 29.58 3adn n HIS 211 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3adn n TYR 212 N -1.77 0.00 -3.89 1.57 4.01 0.09 -5.08 117.16 112.09 3adn n TYR 212 Ca 0.05 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.46 3adn n TYR 212 Cb 0.38 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.36 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 -1.48 3.55 -0.01 -0.72 0.08 -0.39 -4.97 117.98 114.05 3adn s PHE 213 Ca 0.00 0.37 0.16 0.00 0.12 0.00 0.00 56.93 57.58 3adn s PHE 213 Cb 0.00 -1.84 0.30 0.00 -0.57 0.00 0.00 43.02 40.90 3adn s PHE 213 CO 0.00 0.65 1.55 1.03 -0.10 0.00 0.00 175.22 178.34 3adn h SER 214 N 3.83 0.00 -3.31 1.36 0.87 -1.86 -3.41 113.55 111.03 3adn h SER 214 Ca -0.49 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 59.69 3adn h SER 214 Cb 1.19 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 62.76 3adn h SER 214 CO 0.69 0.48 -0.74 -0.62 -0.53 0.00 0.00 176.83 176.11 3adn s ASP 215 N -6.46 1.17 -0.01 6.23 2.15 -0.30 -4.94 116.67 114.51 3adn s ASP 215 Ca 0.02 0.05 0.03 0.00 0.43 0.00 0.00 52.55 53.08 3adn s ASP 215 Cb 0.09 -0.19 -0.01 0.00 -0.30 0.00 0.00 42.92 42.52 3adn s ASP 215 CO 0.73 -0.24 -0.10 -0.69 -0.17 0.00 0.00 175.17 174.70 3adn s VAL 216 N 2.09 0.81 0.07 1.11 1.01 -1.26 -1.80 120.40 122.42 3adn s VAL 216 Ca 0.04 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 3adn s VAL 216 Cb -0.12 -0.68 0.04 0.00 0.00 0.00 0.00 36.38 35.62 3adn s VAL 216 CO -0.03 0.23 0.57 0.61 0.00 0.00 0.00 175.10 176.48 3adn n GLY 217 N 2.93 0.79 3.26 4.51 0.00 -0.74 -5.01 105.19 110.92 3adn n GLY 217 Ca -0.15 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.57 1.31 0.27 1.61 0.08 -1.26 0.13 117.98 116.56 3adn s PHE 218 Ca 0.13 -0.75 0.02 0.00 0.12 0.00 0.00 56.93 56.45 3adn s PHE 218 Cb -0.01 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.73 3adn s PHE 218 CO 0.02 0.10 0.13 1.52 -0.10 0.00 0.00 175.22 176.89 3adn s TYR 219 N -3.30 1.51 0.31 0.36 1.13 -1.17 -4.76 117.35 111.43 3adn s TYR 219 Ca 0.18 -1.29 -0.01 0.00 -1.41 0.00 0.00 57.07 54.54 3adn s TYR 219 Cb 0.02 -0.83 -0.01 0.00 -1.10 0.00 0.00 41.96 40.04 3adn s TYR 219 CO 0.01 -0.46 0.39 1.14 -2.51 0.00 0.00 175.55 174.12 3adn s GLN 220 N -3.96 1.75 -0.22 -3.49 0.00 -1.22 -1.59 119.66 110.95 3adn s GLN 220 Ca 0.37 -1.75 -0.28 0.00 -0.00 0.00 0.00 55.36 53.69 3adn s GLN 220 Cb 0.06 0.40 0.14 0.00 0.00 0.00 0.00 33.01 33.61 3adn s GLN 220 CO 0.15 -0.70 1.09 0.00 0.00 0.00 0.00 175.29 175.84 3adn s ALA 221 N -3.37 -1.99 -0.35 2.60 0.00 -1.15 -4.71 121.76 112.78 3adn s ALA 221 Ca 0.33 1.70 -0.08 0.00 0.00 0.00 0.00 51.96 53.92 3adn s ALA 221 Cb 0.01 -1.08 0.03 0.00 0.00 0.00 0.00 23.12 22.08 3adn s ALA 221 CO 0.20 -0.26 0.14 0.00 0.00 0.00 0.00 175.76 175.83 3adn s ALA 222 N -0.68 3.13 -0.40 0.00 0.00 -1.26 -1.91 121.76 120.64 3adn s ALA 222 Ca 0.02 -1.71 -0.19 0.00 0.00 0.00 0.00 51.96 50.08 3adn s ALA 222 Cb -0.02 -2.38 0.01 0.00 0.00 0.00 0.00 23.12 20.73 3adn s ALA 222 CO -0.03 -1.32 0.54 0.42 0.00 0.00 0.00 175.76 175.37 3adn s ILE 223 N 1.47 4.97 0.09 0.00 1.01 -1.26 -5.00 121.20 122.48 3adn s ILE 223 Ca 0.00 0.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.53 3adn s ILE 223 Cb -0.19 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3adn s ILE 223 CO 0.04 -0.41 1.28 -0.81 0.00 0.00 0.00 174.94 175.04 3adn n PRO 224 N 5.89 -0.26 0.21 2.79 -0.04 -1.26 0.15 135.00 142.48 3adn n PRO 224 Ca -0.04 1.27 0.16 0.00 -0.04 0.00 0.00 63.50 64.84 3adn n PRO 224 Cb 0.48 -1.87 0.65 0.00 -0.04 0.00 0.00 33.50 32.72 3adn n PRO 224 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3adn h THR 225 N 0.00 0.12 -3.24 0.52 1.03 -1.94 -3.27 112.91 106.12 3adn h THR 225 Ca 0.09 0.00 -0.76 0.00 -0.01 0.00 0.00 66.41 65.74 3adn h THR 225 Cb 0.24 0.51 -0.23 0.00 -1.07 0.00 0.00 68.15 67.60 3adn h THR 225 CO -0.55 0.00 0.48 -0.31 -0.01 0.00 0.00 175.52 175.12 3adn s TYR 226 N -4.27 3.64 0.53 0.00 2.02 0.12 -5.00 117.35 114.39 3adn s TYR 226 Ca -0.03 -1.95 -0.20 0.00 -0.37 0.00 0.00 57.07 54.51 3adn s TYR 226 Cb 0.10 -4.00 -0.08 0.00 -0.40 0.00 0.00 41.96 37.59 3adn s TYR 226 CO 0.34 -1.16 0.90 0.98 -1.57 0.00 0.00 175.55 175.04 3adn n TYR 227 N 4.64 0.69 0.00 2.71 9.36 -1.24 -4.03 117.16 129.30 3adn n TYR 227 Ca 0.20 0.48 0.00 0.00 3.32 0.00 0.00 57.90 61.90 3adn n TYR 227 Cb 0.46 -2.14 0.00 0.00 -0.63 0.00 0.00 39.34 37.03 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 1.33 1.18 1.46 2.98 0.00 -1.26 -4.83 105.19 106.05 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 -0.41 1.14 3.69 -0.02 0.00 -1.26 -4.38 105.19 103.94 3adn n GLY 229 Ca 0.00 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 3adn n GLY 229 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3adn s ILE 230 N 0.00 3.54 0.17 -0.61 1.09 -1.26 -4.25 121.20 119.88 3adn s ILE 230 Ca 0.00 0.92 0.01 0.00 -1.10 0.00 0.00 60.65 60.48 3adn s ILE 230 Cb 0.00 -3.59 -0.04 0.00 -1.06 0.00 0.00 42.46 37.77 3adn s ILE 230 CO 0.00 -0.01 0.33 -0.32 -0.10 0.00 0.00 174.94 174.84 3adn s MET 231 N 2.59 3.48 0.12 2.79 -2.45 -0.80 -1.32 119.30 123.70 3adn s MET 231 Ca 0.67 -0.47 0.09 0.00 -1.25 0.00 0.00 55.69 54.73 3adn s MET 231 Cb -0.33 -2.91 -0.04 0.00 1.25 0.00 0.00 34.83 32.80 3adn s MET 231 CO 0.28 0.47 -0.20 0.99 1.05 0.00 0.00 175.02 177.60 3adn s THR 232 N -1.79 2.69 -0.18 10.11 2.01 -1.02 -2.95 115.64 124.50 3adn s THR 232 Ca 0.36 -1.55 -0.01 0.00 0.31 0.00 0.00 61.69 60.80 3adn s THR 232 Cb -0.11 -2.22 0.05 0.00 0.01 0.00 0.00 72.50 70.23 3adn s THR 232 CO 0.29 0.11 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.95 3adn s PHE 233 N -1.11 1.44 0.15 4.92 0.08 -0.62 -0.35 117.98 122.50 3adn s PHE 233 Ca 0.17 -1.01 -0.31 0.00 0.12 0.00 0.00 56.93 55.90 3adn s PHE 233 Cb -0.10 -1.19 -0.11 0.00 -0.57 0.00 0.00 43.02 41.05 3adn s PHE 233 CO 0.09 -0.61 1.72 0.00 -0.10 0.00 0.00 175.22 176.32 3adn s ALA 234 N 1.72 3.82 -0.04 5.36 0.00 0.16 -3.04 121.76 129.73 3adn s ALA 234 Ca -0.00 1.45 0.02 0.00 0.00 0.00 0.00 51.96 53.42 3adn s ALA 234 Cb -0.16 -3.70 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 3adn s ALA 234 CO -0.07 -1.02 -0.08 -0.46 0.00 0.00 0.00 175.76 174.13 3adn s TRP 235 N 1.90 2.89 -0.29 0.00 -0.11 0.36 -2.06 118.94 121.63 3adn s TRP 235 Ca 0.76 -0.02 -0.15 0.00 1.22 0.00 0.00 56.10 57.90 3adn s TRP 235 Cb -0.46 -1.66 0.11 0.00 -1.50 0.00 0.00 33.47 29.96 3adn s TRP 235 CO 0.33 0.33 0.78 0.00 -4.62 0.00 0.00 176.95 173.77 3adn s ALA 236 N -0.87 -2.06 -0.15 5.86 0.00 -0.74 -1.80 121.76 122.01 3adn s ALA 236 Ca 0.14 2.34 -0.31 0.00 0.00 0.00 0.00 51.96 54.13 3adn s ALA 236 Cb -0.11 -1.59 0.13 0.00 0.00 0.00 0.00 23.12 21.55 3adn s ALA 236 CO 0.03 -0.48 1.08 -0.08 0.00 0.00 0.00 175.76 176.31 3adn s THR 237 N 1.79 0.00 -1.58 0.00 -1.32 -0.74 -1.01 115.64 112.77 3adn s THR 237 Ca -0.09 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.65 3adn s THR 237 Cb -0.06 -1.00 0.52 0.00 -1.51 0.00 0.00 72.50 70.46 3adn s THR 237 CO -0.18 0.00 1.86 0.47 -2.21 0.00 0.00 174.62 174.56 3adn n ASP 238 N 0.24 0.00 -4.21 8.08 8.00 -1.26 -1.15 116.55 126.24 3adn n ASP 238 Ca -0.06 -0.28 -0.41 0.00 0.71 0.00 0.00 54.79 54.76 3adn n ASP 238 Cb 0.59 -0.21 -0.07 0.00 -0.02 0.00 0.00 41.12 41.41 3adn n ASP 238 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3adn s ASN 239 N -2.42 5.83 0.00 -2.24 3.04 -1.26 -4.78 114.94 113.11 3adn s ASN 239 Ca 0.28 -2.23 0.17 0.00 0.04 0.00 0.00 52.86 51.12 3adn s ASN 239 Cb 0.17 -2.03 0.81 0.00 -1.54 0.00 0.00 41.25 38.67 3adn s ASN 239 CO 0.36 -0.62 1.49 -0.90 -3.04 0.00 0.00 177.10 174.39 3adn n ASP 240 N 4.48 0.00 0.09 -4.21 5.75 -1.26 -2.91 116.55 118.49 3adn n ASP 240 Ca -0.01 0.13 -0.04 0.00 -0.01 0.00 0.00 54.79 54.86 3adn n ASP 240 Cb 0.41 -0.32 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 3adn n ASP 240 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3adn h ALA 241 N 2.74 0.49 -0.07 2.12 0.00 -1.96 -3.43 119.26 119.15 3adn h ALA 241 Ca 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 3adn h ALA 241 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3adn h ALA 241 CO 0.00 1.05 0.46 1.28 0.00 0.00 0.00 179.25 182.04 3adn n LEU 242 N -3.36 0.08 0.05 0.00 4.32 -1.15 -3.37 117.00 113.57 3adn n LEU 242 Ca 0.00 -1.92 0.00 0.00 -0.02 0.00 0.00 56.01 54.08 3adn n LEU 242 Cb 0.86 -1.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.38 3adn n LEU 242 CO 0.45 -2.76 0.00 0.54 -1.22 0.00 0.00 177.39 174.39 3adn n ARG 243 N 6.82 0.00 -0.43 3.23 1.74 -1.26 -5.07 116.66 121.68 3adn n ARG 243 Ca 0.29 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.43 3adn n ARG 243 Cb 0.46 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.88 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 -2.69 -2.49 -4.29 -1.55 8.25 -1.22 -4.88 115.22 106.34 3adn n HIS 244 Ca 0.00 0.54 -0.31 0.00 -0.26 0.00 0.00 57.72 57.69 3adn n HIS 244 Cb 0.00 -0.79 -0.10 0.00 1.12 0.00 0.00 29.99 30.22 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 3.19 0.53 2.41 -0.00 -1.26 -5.02 118.68 118.53 3adn s LEU 245 Ca 0.00 -0.25 0.32 0.00 -0.00 0.00 0.00 54.13 54.20 3adn s LEU 245 Cb 0.00 -1.92 1.48 0.00 -0.00 0.00 0.00 46.19 45.75 3adn s LEU 245 CO 0.00 0.22 1.88 0.28 -0.00 0.00 0.00 176.35 178.72 3adn h SER 246 N 3.91 0.02 -0.27 1.48 0.02 -1.90 0.24 113.55 117.05 3adn h SER 246 Ca -0.48 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.40 3adn h SER 246 Cb 1.17 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 3adn h SER 246 CO 0.55 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 176.15 3adn h THR 247 N 0.01 1.29 -0.50 -2.27 1.03 -1.96 -0.90 112.91 109.62 3adn h THR 247 Ca 0.45 -1.14 0.06 0.00 -0.01 0.00 0.00 66.41 65.77 3adn h THR 247 Cb 1.76 1.48 -0.05 0.00 -1.07 0.00 0.00 68.15 70.27 3adn h THR 247 CO -0.01 0.36 0.20 -0.08 -0.01 0.00 0.00 175.52 175.98 3adn h GLU 248 N 0.28 0.38 0.00 0.00 4.57 -0.96 0.23 114.58 119.08 3adn h GLU 248 Ca 0.06 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3adn h GLU 248 Cb 0.58 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 3adn h GLU 248 CO 0.03 0.25 0.00 -0.89 -1.18 0.00 0.00 179.01 177.23 3adn n ILE 249 N -4.97 0.93 -0.87 2.32 2.08 -0.66 -3.14 119.36 115.05 3adn n ILE 249 Ca 0.05 0.50 -0.13 0.00 0.56 0.00 0.00 62.75 63.73 3adn n ILE 249 Cb 0.18 -1.47 -0.13 0.00 -0.75 0.00 0.00 39.64 37.47 3adn n ILE 249 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3adn n ILE 250 N -2.27 2.67 1.03 1.39 5.41 0.82 -3.18 119.36 125.23 3adn n ILE 250 Ca 0.00 -1.38 0.12 0.00 1.00 0.00 0.00 62.75 62.49 3adn n ILE 250 Cb 0.13 -1.99 0.32 0.00 -0.71 0.00 0.00 39.64 37.39 3adn n ILE 250 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3adn n GLN 251 N 2.75 2.00 0.00 0.38 7.27 -1.19 -3.38 117.38 125.21 3adn n GLN 251 Ca 0.40 -1.49 0.06 0.00 0.07 0.00 0.00 57.00 56.04 3adn n GLN 251 Cb 0.69 -1.45 0.36 0.00 2.41 0.00 0.00 30.24 32.25 3adn n GLN 251 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3adn n ALA 252 N 0.74 2.15 0.00 1.69 0.00 -1.19 -5.06 120.51 118.84 3adn n ALA 252 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3adn n ALA 252 Cb 0.44 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.83 0.00 0.00 0.00 0.00 -1.22 -4.85 116.66 109.77 3adn n ARG 253 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 3adn n ARG 253 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.50 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 0.00 -0.90 2.89 0.00 -1.26 -5.10 117.00 112.63 3adn n LEU 259 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 3adn n LEU 259 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3adn n LEU 259 CO 0.00 0.00 -0.05 1.17 0.00 0.00 0.00 177.39 178.51 3adn n LYS 260 N 0.00 -0.07 -1.06 1.96 3.00 -1.26 -4.97 118.16 115.76 3adn n LYS 260 Ca 0.00 0.10 -0.06 0.00 -0.00 0.00 0.00 58.31 58.34 3adn n LYS 260 Cb 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 35.03 34.94 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 -1.52 2.71 0.03 0.00 1.74 -1.26 -4.87 116.66 113.49 3adn n ARG 262 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3adn n ARG 262 Cb 0.16 -0.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 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 -1.30 -0.36 -2.11 -1.55 9.36 -1.26 -5.06 117.16 114.88 3adn n TYR 263 Ca 0.00 0.06 -0.40 0.00 3.32 0.00 0.00 57.90 60.89 3adn n TYR 263 Cb 0.00 0.21 -0.01 0.00 -0.63 0.00 0.00 39.34 38.91 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 -2.00 2.92 -0.00 2.98 5.04 -1.26 -4.95 117.35 120.08 3adn s TYR 264 Ca 0.00 1.44 -0.28 0.00 -2.44 0.00 0.00 57.07 55.79 3adn s TYR 264 Cb 0.00 -3.62 0.10 0.00 0.35 0.00 0.00 41.96 38.78 3adn s TYR 264 CO 0.00 -1.90 0.84 0.54 -1.34 0.00 0.00 175.55 173.69 3adn s ASN 265 N -0.75 -0.42 0.26 4.32 6.03 -1.26 -4.45 114.94 118.68 3adn s ASN 265 Ca 0.55 0.10 -0.01 0.00 -1.03 0.00 0.00 52.86 52.47 3adn s ASN 265 Cb -0.37 0.42 0.57 0.00 -3.03 0.00 0.00 41.25 38.84 3adn s ASN 265 CO 0.48 -0.64 1.69 -0.65 -2.03 0.00 0.00 177.10 175.95 3adn h PRO 266 N 2.14 0.31 -0.50 3.55 0.11 -1.92 -1.11 132.00 134.59 3adn h PRO 266 Ca -0.24 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.89 3adn h PRO 266 Cb 1.24 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3adn h PRO 266 CO 0.33 0.21 0.26 0.00 -0.21 0.00 0.00 178.00 178.58 3adn h ALA 267 N 1.66 0.64 -0.74 -0.75 0.00 -1.97 -0.81 119.26 117.28 3adn h ALA 267 Ca 0.47 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.35 3adn h ALA 267 Cb 0.85 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3adn h ALA 267 CO -0.52 -0.09 0.24 0.82 0.00 0.00 0.00 179.25 179.70 3adn h ILE 268 N 0.50 1.26 -0.65 0.00 1.08 -1.73 -0.38 117.51 117.59 3adn h ILE 268 Ca 0.22 -0.90 0.08 0.00 -0.39 0.00 0.00 64.86 63.87 3adn h ILE 268 Cb 0.12 0.44 -0.06 0.00 -3.07 0.00 0.00 36.82 34.24 3adn h ILE 268 CO -0.15 0.36 0.32 -0.74 -0.69 0.00 0.00 178.15 177.25 3adn h HIS 269 N 1.10 0.57 0.02 1.37 2.76 -0.16 0.39 115.15 121.22 3adn h HIS 269 Ca 0.24 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.36 3adn h HIS 269 Cb 0.30 -0.16 0.01 0.00 1.55 0.00 0.00 27.41 29.11 3adn h HIS 269 CO 0.02 0.22 -0.31 1.15 -1.30 0.00 0.00 177.93 177.71 3adn h THR 270 N 0.57 1.59 -0.99 6.26 2.02 -0.98 -3.34 112.91 118.04 3adn h THR 270 Ca 0.31 -2.14 0.03 0.00 0.77 0.00 0.00 66.41 65.39 3adn h THR 270 Cb 0.30 2.97 -0.06 0.00 -1.74 0.00 0.00 68.15 69.62 3adn h THR 270 CO -0.24 0.58 0.65 0.00 0.37 0.00 0.00 175.52 176.88 3adn h ALA 271 N 0.18 1.29 -0.90 6.16 0.00 -0.85 -3.06 119.26 122.07 3adn h ALA 271 Ca -0.05 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.93 3adn h ALA 271 Cb 1.13 -0.36 -0.13 0.00 0.00 0.00 0.00 17.79 18.42 3adn h ALA 271 CO 0.06 0.56 -0.47 0.00 0.00 0.00 0.00 179.25 179.40 3adn h ALA 272 N 1.39 -0.21 0.00 0.00 0.00 -0.33 0.14 119.26 120.25 3adn h ALA 272 Ca 0.38 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3adn h ALA 272 Cb -0.04 1.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3adn h ALA 272 CO -0.11 -0.80 0.04 1.19 0.00 0.00 0.00 179.25 179.57 3adn n PHE 273 N -5.38 0.00 -2.85 0.00 3.72 -1.16 -3.38 117.46 108.41 3adn n PHE 273 Ca 0.05 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.02 3adn n PHE 273 Cb 0.34 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 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 -1.83 3.17 0.31 4.37 0.00 0.49 -4.87 121.76 123.39 3adn s ALA 274 Ca 0.00 -2.24 -0.22 0.00 0.00 0.00 0.00 51.96 49.50 3adn s ALA 274 Cb 0.00 -4.01 -0.09 0.00 0.00 0.00 0.00 23.12 19.02 3adn s ALA 274 CO 0.00 -2.95 0.85 -0.51 0.00 0.00 0.00 175.76 173.15 3adn s LEU 275 N 3.65 4.25 0.78 0.00 1.43 -1.26 -4.93 118.68 122.60 3adn s LEU 275 Ca 0.29 1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 54.88 3adn s LEU 275 Cb -0.10 -3.96 0.07 0.00 0.03 0.00 0.00 46.19 42.22 3adn s LEU 275 CO 0.01 -0.09 1.14 -2.16 0.23 0.00 0.00 176.35 175.48 3adn s PRO 276 N -2.30 1.97 0.07 1.29 0.04 -1.26 -4.86 135.00 129.96 3adn s PRO 276 Ca 0.50 1.48 -0.17 0.00 0.04 0.00 0.00 61.00 62.85 3adn s PRO 276 Cb -0.16 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 3adn s PRO 276 CO 0.21 -1.91 1.29 0.37 0.04 0.00 0.00 177.00 177.00 3adn h GLN 277 N -0.90 -0.18 -1.00 4.56 5.75 -2.00 -2.36 115.11 118.98 3adn h GLN 277 Ca -0.45 0.01 0.22 0.00 -0.15 0.00 0.00 58.65 58.28 3adn h GLN 277 Cb 1.26 0.04 -0.11 0.00 1.07 0.00 0.00 27.48 29.74 3adn h GLN 277 CO 0.49 -0.12 0.61 0.10 -2.65 0.00 0.00 178.83 177.25 3adn h TYR 278 N -0.19 1.03 -0.95 3.99 -0.00 -1.99 0.92 116.97 119.79 3adn h TYR 278 Ca 0.04 0.03 0.03 0.00 -0.00 0.00 0.00 58.73 58.84 3adn h TYR 278 Cb 0.31 -0.30 -0.05 0.00 -0.00 0.00 0.00 36.73 36.68 3adn h TYR 278 CO -0.71 0.15 0.62 1.25 -0.00 0.00 0.00 178.16 179.48 3adn h LEU 279 N 0.67 1.03 0.01 0.10 6.46 -1.78 -2.77 115.31 119.03 3adn h LEU 279 Ca 0.61 -0.01 -0.22 0.00 -0.12 0.00 0.00 57.88 58.14 3adn h LEU 279 Cb 1.07 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.73 3adn h LEU 279 CO -0.42 0.71 -1.04 0.06 -0.62 0.00 0.00 178.44 177.14 3adn h GLN 280 N 1.20 0.01 0.00 1.25 3.07 -0.76 -3.15 115.11 116.73 3adn h GLN 280 Ca 0.37 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 59.09 3adn h GLN 280 Cb -0.01 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.56 3adn h GLN 280 CO -0.12 0.99 0.24 -0.25 0.09 0.00 0.00 178.83 179.79 3adn n ASP 281 N -3.35 0.20 -0.65 0.06 8.00 -0.37 -5.13 116.55 115.31 3adn n ASP 281 Ca -0.01 0.46 0.08 0.00 0.71 0.00 0.00 54.79 56.03 3adn n ASP 281 Cb 0.95 -0.43 0.07 0.00 -0.02 0.00 0.00 41.12 41.69 3adn n ASP 281 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81