#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 3.45 0.02 1.08 -0.00 0.24 -4.88 118.94 118.85 3adn s TRP 7 Ca 0.00 1.40 -0.01 0.00 -0.00 0.00 0.00 56.10 57.49 3adn s TRP 7 Cb 0.00 -3.09 -0.04 0.00 -0.00 0.00 0.00 33.47 30.34 3adn s TRP 7 CO 0.00 -0.24 0.15 -1.01 -0.00 0.00 0.00 176.95 175.84 3adn s HIS 8 N 2.15 3.43 -0.14 5.86 3.76 -1.26 0.25 115.29 129.33 3adn s HIS 8 Ca 0.42 0.26 -0.18 0.00 -0.15 0.00 0.00 55.06 55.41 3adn s HIS 8 Cb -0.17 -1.76 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 3adn s HIS 8 CO 0.14 0.59 0.47 -2.00 -0.85 0.00 0.00 174.74 173.09 3adn s GLU 9 N -2.06 4.30 -0.36 1.40 2.12 -0.66 -4.95 118.70 118.48 3adn s GLU 9 Ca 0.28 0.41 0.07 0.00 0.36 0.00 0.00 54.97 56.09 3adn s GLU 9 Cb -0.12 -3.46 0.61 0.00 0.26 0.00 0.00 34.13 31.41 3adn s GLU 9 CO 0.20 0.09 1.71 2.41 -0.54 0.00 0.00 175.26 179.13 3adn n THR 10 N 3.86 2.88 -0.04 -1.70 -1.04 0.27 -4.57 114.28 113.94 3adn n THR 10 Ca -0.07 -2.21 -0.13 0.00 -2.04 0.00 0.00 64.05 59.60 3adn n THR 10 Cb 0.51 -0.39 -0.08 0.00 -1.82 0.00 0.00 70.33 68.56 3adn n THR 10 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3adn h LEU 11 N 1.25 0.26 -9.88 -4.42 5.85 -1.89 -3.46 115.31 103.03 3adn h LEU 11 Ca 0.40 -0.46 -0.55 0.00 0.84 0.00 0.00 57.88 58.11 3adn h LEU 11 Cb 2.27 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 43.18 3adn h LEU 11 CO 0.74 0.67 -0.53 -1.00 -0.34 0.00 0.00 178.44 177.98 3adn s HIS 12 N -4.38 3.25 -0.52 1.25 3.76 -1.26 -5.07 115.29 112.32 3adn s HIS 12 Ca -0.15 0.00 -0.19 0.00 -0.15 0.00 0.00 55.06 54.57 3adn s HIS 12 Cb 0.04 -1.54 0.06 0.00 1.11 0.00 0.00 32.58 32.26 3adn s HIS 12 CO 0.73 0.51 0.65 0.16 -0.85 0.00 0.00 174.74 175.94 3adn s ASP 13 N -3.29 6.22 0.00 1.40 3.84 -1.26 -4.23 116.67 119.35 3adn s ASP 13 Ca 0.32 -0.93 0.00 0.00 -0.00 0.00 0.00 52.55 51.94 3adn s ASP 13 Cb -0.10 -2.30 0.00 0.00 -1.38 0.00 0.00 42.92 39.14 3adn s ASP 13 CO 0.25 -0.93 0.00 0.00 -0.00 0.00 0.00 175.17 174.50 3adn n GLN 14 N 6.24 0.00 -3.62 2.11 1.13 -1.26 -5.05 117.38 116.94 3adn n GLN 14 Ca -0.06 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 54.94 3adn n GLN 14 Cb 0.45 -0.12 -0.02 0.00 0.11 0.00 0.00 30.24 30.66 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 -2.09 -0.22 -1.54 1.08 -0.71 -1.26 -5.18 117.98 108.05 3adn s PHE 15 Ca 0.00 0.03 0.00 0.00 -1.04 0.00 0.00 56.93 55.92 3adn s PHE 15 Cb 0.00 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.39 3adn s PHE 15 CO 0.00 -0.62 0.00 0.41 -1.34 0.00 0.00 175.22 173.67 3adn n GLY 16 N -0.34 -1.26 3.29 1.99 0.00 -1.26 -4.12 105.19 103.49 3adn n GLY 16 Ca -0.07 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 3adn n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3adn s GLN 17 N -0.62 1.13 0.14 1.61 -2.07 -1.26 -5.02 119.66 113.58 3adn s GLN 17 Ca 0.00 -1.17 0.07 0.00 -1.82 0.00 0.00 55.36 52.44 3adn s GLN 17 Cb 0.00 -1.41 -0.04 0.00 -1.09 0.00 0.00 33.01 30.47 3adn s GLN 17 CO 0.00 0.33 -0.15 1.52 -1.32 0.00 0.00 175.29 175.66 3adn s TYR 18 N -1.16 1.56 -0.02 9.60 1.13 -1.26 -1.66 117.35 125.54 3adn s TYR 18 Ca 0.07 -0.54 0.02 0.00 -1.41 0.00 0.00 57.07 55.21 3adn s TYR 18 Cb -0.10 -0.79 0.00 0.00 -1.10 0.00 0.00 41.96 39.97 3adn s TYR 18 CO 0.04 0.22 -0.07 -0.06 -2.51 0.00 0.00 175.55 173.17 3adn s PHE 19 N -2.20 0.80 -0.17 -3.49 0.08 0.14 -4.92 117.98 108.21 3adn s PHE 19 Ca 0.12 -0.19 -0.29 0.00 0.12 0.00 0.00 56.93 56.69 3adn s PHE 19 Cb -0.05 -0.58 -0.00 0.00 -0.57 0.00 0.00 43.02 41.82 3adn s PHE 19 CO 0.04 -0.08 1.09 0.00 -0.10 0.00 0.00 175.22 176.17 3adn s ALA 20 N 0.20 3.60 -0.08 5.36 0.00 -1.26 0.80 121.76 130.38 3adn s ALA 20 Ca -0.03 0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 3adn s ALA 20 Cb -0.08 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 3adn s ALA 20 CO 0.00 -0.94 1.01 0.08 0.00 0.00 0.00 175.76 175.91 3adn s VAL 21 N 2.89 4.78 -0.06 0.00 1.01 -1.26 -4.55 120.40 123.21 3adn s VAL 21 Ca 0.48 2.03 0.13 0.00 0.00 0.00 0.00 61.98 64.62 3adn s VAL 21 Cb -0.18 -4.31 -0.19 0.00 0.00 0.00 0.00 36.38 31.70 3adn s VAL 21 CO 0.12 0.04 0.20 0.47 0.00 0.00 0.00 175.10 175.93 3adn n ASP 22 N 4.77 1.92 -3.23 3.32 8.00 -1.04 -4.98 116.55 125.30 3adn n ASP 22 Ca 0.08 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.62 3adn n ASP 22 Cb 0.49 1.31 -0.03 0.00 -0.02 0.00 0.00 41.12 42.87 3adn n ASP 22 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3adn s ASN 23 N -3.92 -0.26 0.06 -2.24 3.84 -1.26 -5.00 114.94 106.16 3adn s ASN 23 Ca -0.05 0.30 -0.28 0.00 0.21 0.00 0.00 52.86 53.04 3adn s ASN 23 Cb 0.07 1.27 -0.05 0.00 -0.55 0.00 0.00 41.25 41.99 3adn s ASN 23 CO 0.54 -0.05 0.88 -0.69 -2.79 0.00 0.00 177.10 174.99 3adn s VAL 24 N 2.37 4.67 -0.14 -5.21 1.01 -1.26 -1.62 120.40 120.23 3adn s VAL 24 Ca -0.02 1.87 0.19 0.00 0.00 0.00 0.00 61.98 64.03 3adn s VAL 24 Cb -0.04 -4.23 -0.28 0.00 0.00 0.00 0.00 36.38 31.83 3adn s VAL 24 CO -0.15 0.31 0.21 0.18 0.00 0.00 0.00 175.10 175.65 3adn n LEU 25 N 3.02 0.00 -3.87 3.92 7.99 -0.01 -4.96 117.00 123.09 3adn n LEU 25 Ca 0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.92 3adn n LEU 25 Cb 0.50 0.32 -0.05 0.00 -0.11 0.00 0.00 43.42 44.08 3adn n LEU 25 CO 0.50 0.32 0.19 -0.47 -1.51 0.00 0.00 177.39 176.41 3adn s TYR 26 N -2.85 0.13 0.00 -1.77 5.04 -1.17 -4.96 117.35 111.77 3adn s TYR 26 Ca -0.09 -0.49 0.00 0.00 -2.44 0.00 0.00 57.07 54.05 3adn s TYR 26 Cb 0.09 0.25 0.00 0.00 0.35 0.00 0.00 41.96 42.65 3adn s TYR 26 CO 0.85 -0.91 0.00 1.58 -1.34 0.00 0.00 175.55 175.73 3adn n HIS 27 N -0.33 0.00 0.00 4.97 -0.00 -1.25 -2.87 115.22 115.74 3adn n HIS 27 Ca -0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.11 3adn n HIS 27 Cb 0.62 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.49 3adn n HIS 27 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 3adn n GLU 28 N 0.00 0.00 -0.19 1.57 -0.00 -1.09 -5.04 120.64 115.89 3adn n GLU 28 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.19 3adn n GLU 28 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 31.44 31.51 3adn n GLU 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3adn n GLN 33 N 0.00 -0.05 -2.35 3.44 1.13 -1.26 -4.06 117.38 114.23 3adn n GLN 33 Ca 0.00 0.80 -0.03 0.00 -1.94 0.00 0.00 57.00 55.84 3adn n GLN 33 Cb 0.00 -1.20 0.06 0.00 0.11 0.00 0.00 30.24 29.21 3adn n GLN 33 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3adn n ASP 34 N -4.84 -1.07 -4.66 1.08 4.64 -1.26 -4.95 116.55 105.50 3adn n ASP 34 Ca 0.08 -1.80 -0.43 0.00 -1.38 0.00 0.00 54.79 51.27 3adn n ASP 34 Cb 0.26 0.63 -0.02 0.00 -1.04 0.00 0.00 41.12 40.94 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 -2.39 4.22 -0.01 -2.67 0.20 -1.26 -3.22 118.68 113.54 3adn s LEU 35 Ca 0.08 1.83 0.07 0.00 0.69 0.00 0.00 54.13 56.79 3adn s LEU 35 Cb 0.23 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.44 3adn s LEU 35 CO -0.06 -0.80 -0.21 -0.51 -0.29 0.00 0.00 176.35 174.47 3adn s ILE 36 N 3.62 1.69 -0.48 6.68 1.10 -0.05 -2.68 121.20 131.08 3adn s ILE 36 Ca 0.59 -0.93 0.04 0.00 -0.51 0.00 0.00 60.65 59.84 3adn s ILE 36 Cb -0.25 -1.41 0.16 0.00 0.15 0.00 0.00 42.46 41.12 3adn s ILE 36 CO 0.18 0.47 0.36 -0.63 -2.11 0.00 0.00 174.94 173.21 3adn s ILE 37 N -0.52 1.08 0.20 2.00 1.01 -1.14 -1.04 121.20 122.80 3adn s ILE 37 Ca 0.08 -2.97 0.01 0.00 0.00 0.00 0.00 60.65 57.78 3adn s ILE 37 Cb -0.08 -1.74 0.04 0.00 0.01 0.00 0.00 42.46 40.69 3adn s ILE 37 CO -0.01 -1.12 0.28 2.22 0.00 0.00 0.00 174.94 176.31 3adn n PHE 38 N 2.81 -3.03 -4.36 3.97 -1.74 -1.25 -0.83 117.46 113.03 3adn n PHE 38 Ca 0.23 -0.59 -0.24 0.00 -0.56 0.00 0.00 57.45 56.29 3adn n PHE 38 Cb 0.42 -0.20 -0.12 0.00 1.52 0.00 0.00 39.48 41.11 3adn n PHE 38 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 3adn s GLU 39 N -3.03 1.34 0.03 3.97 2.02 -0.64 -0.76 118.70 121.64 3adn s GLU 39 Ca 0.20 -1.40 0.02 0.00 0.02 0.00 0.00 54.97 53.81 3adn s GLU 39 Cb -0.01 -1.56 -0.02 0.00 0.10 0.00 0.00 34.13 32.64 3adn s GLU 39 CO 0.13 0.34 -0.07 1.21 0.02 0.00 0.00 175.26 176.88 3adn s ASN 40 N -2.48 0.77 0.27 -0.19 3.84 0.16 -2.51 114.94 114.80 3adn s ASN 40 Ca 0.16 -0.49 -0.02 0.00 0.21 0.00 0.00 52.86 52.72 3adn s ASN 40 Cb -0.08 0.03 0.43 0.00 -0.55 0.00 0.00 41.25 41.09 3adn s ASN 40 CO 0.07 -0.18 1.86 0.00 -2.79 0.00 0.00 177.10 176.07 3adn h ALA 41 N 4.71 1.39 0.00 1.71 0.00 -1.88 0.13 119.26 125.31 3adn h ALA 41 Ca -0.34 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.19 3adn h ALA 41 Cb 1.20 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 3adn h ALA 41 CO 0.42 0.34 -2.39 0.00 0.00 0.00 0.00 179.25 177.62 3adn n ALA 42 N -2.36 1.48 1.01 0.00 0.00 -1.26 -4.63 120.51 114.75 3adn n ALA 42 Ca 0.16 -1.14 0.11 0.00 0.00 0.00 0.00 53.44 52.56 3adn n ALA 42 Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.56 3adn n ALA 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3adn n PHE 43 N -3.06 0.00 -4.55 0.00 3.72 -1.24 -4.85 117.46 107.49 3adn n PHE 43 Ca -0.40 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 3adn n PHE 43 Cb 1.03 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 3adn n PHE 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3adn n GLY 44 N 1.49 1.24 3.71 1.37 0.00 0.03 -3.16 105.19 109.87 3adn n GLY 44 Ca 0.05 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 3adn n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3adn n ARG 45 N 7.87 2.40 -3.72 1.61 3.00 -1.26 -0.66 116.66 125.90 3adn n ARG 45 Ca 0.00 0.86 -0.29 0.00 -0.01 0.00 0.00 57.85 58.41 3adn n ARG 45 Cb 0.00 -2.58 -0.12 0.00 0.00 0.00 0.00 32.46 29.75 3adn n ARG 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3adn s VAL 46 N 0.02 1.67 0.11 1.55 1.01 0.06 -2.92 120.40 121.90 3adn s VAL 46 Ca 0.66 -3.07 -0.31 0.00 0.00 0.00 0.00 61.98 59.27 3adn s VAL 46 Cb -0.57 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 3adn s VAL 46 CO 0.48 -0.98 1.57 -0.32 0.00 0.00 0.00 175.10 175.85 3adn s MET 47 N -0.21 4.23 -0.06 2.72 1.75 -1.21 -3.74 119.30 122.77 3adn s MET 47 Ca 0.22 2.29 -0.03 0.00 -1.25 0.00 0.00 55.69 56.92 3adn s MET 47 Cb -0.14 -3.36 0.03 0.00 2.84 0.00 0.00 34.83 34.20 3adn s MET 47 CO -0.08 -0.63 0.14 0.00 -0.65 0.00 0.00 175.02 173.80 3adn s ALA 48 N 1.78 -0.28 -0.14 4.11 0.00 -0.20 -0.69 121.76 126.34 3adn s ALA 48 Ca 0.70 0.61 0.02 0.00 0.00 0.00 0.00 51.96 53.29 3adn s ALA 48 Cb -0.41 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.32 3adn s ALA 48 CO 0.31 -0.13 -0.20 -1.17 0.00 0.00 0.00 175.76 174.57 3adn s LEU 49 N 0.90 2.23 -1.44 0.00 2.96 -0.83 -0.87 118.68 121.63 3adn s LEU 49 Ca -0.07 -0.55 -0.11 0.00 -0.22 0.00 0.00 54.13 53.19 3adn s LEU 49 Cb -0.09 -1.48 0.07 0.00 0.50 0.00 0.00 46.19 45.20 3adn s LEU 49 CO -0.04 0.10 0.71 0.47 -1.32 0.00 0.00 176.35 176.27 3adn n ASP 50 N 3.93 -4.46 0.00 3.68 8.00 -1.20 -1.98 116.55 124.52 3adn n ASP 50 Ca -0.19 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.75 3adn n ASP 50 Cb 0.52 -3.62 0.00 0.00 -0.02 0.00 0.00 41.12 38.00 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 -1.43 3.26 3.61 0.44 0.00 -1.26 -4.83 105.19 104.97 3adn n GLY 51 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.54 5.07 0.09 1.61 0.11 -0.84 -0.56 120.40 123.34 3adn s VAL 52 Ca 0.00 0.08 -0.33 0.00 -2.93 0.00 0.00 61.98 58.80 3adn s VAL 52 Cb 0.00 -3.36 -0.12 0.00 -1.53 0.00 0.00 36.38 31.37 3adn s VAL 52 CO 0.00 0.36 1.74 0.52 -3.33 0.00 0.00 175.10 174.38 3adn n VAL 53 N 4.32 0.24 -0.10 2.04 0.31 -1.26 -1.96 118.33 121.92 3adn n VAL 53 Ca -0.15 -0.04 -0.19 0.00 -0.01 0.00 0.00 64.34 63.94 3adn n VAL 53 Cb 0.52 -1.82 -0.10 0.00 -0.91 0.00 0.00 33.84 31.53 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 7.52 0.00 0.00 5.55 1.08 -1.26 -3.47 115.11 124.52 3adn h GLN 54 Ca -0.46 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 56.66 3adn h GLN 54 Cb 1.25 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.67 3adn h GLN 54 CO 0.92 0.88 0.12 0.25 -0.95 0.00 0.00 178.83 180.05 3adn n THR 55 N -4.47 0.00 -3.68 -0.54 -2.24 -1.16 -5.05 114.28 97.15 3adn n THR 55 Ca -0.28 -0.92 -0.14 0.00 -2.27 0.00 0.00 64.05 60.44 3adn n THR 55 Cb 0.62 0.77 -0.09 0.00 -2.10 0.00 0.00 70.33 69.54 3adn n THR 55 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3adn s THR 56 N -2.44 0.00 0.23 4.28 2.01 -1.26 -3.29 115.64 115.17 3adn s THR 56 Ca 0.15 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.15 3adn s THR 56 Cb -0.03 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 3adn s THR 56 CO 0.11 -0.01 1.57 1.05 -0.69 0.00 0.00 174.62 176.65 3adn h GLU 57 N 5.10 0.37 -0.85 4.92 4.11 -1.59 0.30 114.58 126.93 3adn h GLU 57 Ca -0.28 -0.22 -0.23 0.00 0.07 0.00 0.00 59.36 58.70 3adn h GLU 57 Cb 1.17 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.30 3adn h GLU 57 CO 0.18 0.80 0.29 -2.13 0.07 0.00 0.00 179.01 178.23 3adn n ARG 58 N -3.94 2.93 0.00 1.06 0.63 -1.19 -4.33 116.66 111.82 3adn n ARG 58 Ca -0.02 -2.44 0.00 0.00 -0.92 0.00 0.00 57.85 54.47 3adn n ARG 58 Cb 0.57 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.47 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 -0.23 0.00 0.28 6.15 2.03 -1.09 -4.92 116.55 118.77 3adn n ASP 59 Ca 0.36 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.78 3adn n ASP 59 Cb 1.25 0.00 0.59 0.00 -0.72 0.00 0.00 41.12 42.24 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 -0.70 -0.67 9.09 -0.60 -2.58 114.58 119.12 3adn h GLU 60 Ca 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 3adn h GLU 60 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 3adn h GLU 60 CO 0.00 0.00 0.20 0.27 0.05 0.00 0.00 179.01 179.53 3adn h PHE 61 N 0.00 1.14 -0.11 2.06 -0.00 -1.84 -0.39 116.94 117.80 3adn h PHE 61 Ca 0.00 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.97 57.85 3adn h PHE 61 Cb 0.77 -0.33 -0.01 0.00 -0.00 0.00 0.00 35.95 36.38 3adn h PHE 61 CO 0.00 0.91 0.07 0.82 -0.00 0.00 0.00 178.31 180.10 3adn h ILE 62 N 1.05 1.06 -0.61 0.88 2.04 -1.87 0.62 117.51 120.68 3adn h ILE 62 Ca 0.23 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 3adn h ILE 62 Cb 0.32 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 3adn h ILE 62 CO -0.00 0.06 0.23 0.22 0.00 0.00 0.00 178.15 178.65 3adn h TYR 63 N 0.11 0.93 0.06 1.37 3.20 -1.65 -2.40 116.97 118.59 3adn h TYR 63 Ca 0.04 -0.07 -0.27 0.00 3.14 0.00 0.00 58.73 61.56 3adn h TYR 63 Cb 0.03 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 3adn h TYR 63 CO -0.06 0.75 -1.39 0.45 -1.64 0.00 0.00 178.16 176.27 3adn h HIS 64 N 0.85 0.22 0.79 -3.82 3.86 -0.92 -2.74 115.15 113.39 3adn h HIS 64 Ca 0.20 -0.16 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3adn h HIS 64 Cb 0.22 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 28.69 3adn h HIS 64 CO 0.01 1.18 -0.38 0.93 0.86 0.00 0.00 177.93 180.53 3adn h GLU 65 N 0.03 -1.02 -0.38 2.45 5.08 0.25 -2.49 114.58 118.49 3adn h GLU 65 Ca -0.17 0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3adn h GLU 65 Cb 1.94 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 31.40 3adn h GLU 65 CO 0.14 -0.68 0.26 0.52 -1.00 0.00 0.00 179.01 178.25 3adn h MET 66 N -1.15 0.18 0.00 2.33 2.86 -1.57 -0.47 114.93 117.12 3adn h MET 66 Ca -0.11 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3adn h MET 66 Cb 0.82 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.43 3adn h MET 66 CO 0.18 0.12 -0.08 1.98 1.06 0.00 0.00 176.91 180.17 3adn h MET 67 N 0.19 0.00 0.00 1.72 1.85 -1.44 -3.33 114.93 113.91 3adn h MET 67 Ca 0.17 0.00 -0.22 0.00 -0.61 0.00 0.00 59.70 59.04 3adn h MET 67 Cb 0.45 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.45 3adn h MET 67 CO -0.03 0.00 -1.75 -2.37 -0.40 0.00 0.00 176.91 172.36 3adn n THR 68 N -2.28 0.74 0.13 -0.77 5.66 -0.62 -4.69 114.28 112.45 3adn n THR 68 Ca 0.05 -0.21 -0.01 0.00 -3.05 0.00 0.00 64.05 60.83 3adn n THR 68 Cb 0.44 -1.56 0.21 0.00 -1.55 0.00 0.00 70.33 67.86 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 -0.40 0.09 0.31 1.09 -0.00 -1.33 -2.29 115.15 112.62 3adn h HIS 69 Ca -0.33 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 59.99 3adn h HIS 69 Cb 1.33 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 3adn h HIS 69 CO -0.03 0.60 -0.15 0.28 -0.00 0.00 0.00 177.93 178.62 3adn h VAL 70 N 0.06 0.70 -0.36 2.45 2.07 -1.75 0.19 116.25 119.60 3adn h VAL 70 Ca -0.00 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3adn h VAL 70 Cb 0.97 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3adn h VAL 70 CO 0.07 0.01 0.04 -0.65 0.02 0.00 0.00 177.57 177.06 3adn h PRO 71 N -0.46 0.62 -0.76 1.57 0.11 -1.83 -0.51 132.00 130.73 3adn h PRO 71 Ca -0.04 -0.18 -0.05 0.00 0.11 0.00 0.00 66.00 65.84 3adn h PRO 71 Cb 0.35 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 3adn h PRO 71 CO 0.07 0.70 0.30 -0.07 -0.21 0.00 0.00 178.00 178.79 3adn h LEU 72 N 0.45 1.06 0.00 2.35 4.07 -1.33 0.07 115.31 121.98 3adn h LEU 72 Ca 0.11 -0.18 -0.19 0.00 0.08 0.00 0.00 57.88 57.70 3adn h LEU 72 Cb 0.40 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 3adn h LEU 72 CO 0.01 0.95 -1.05 -0.07 -1.08 0.00 0.00 178.44 177.20 3adn h LEU 73 N 1.11 0.00 0.00 1.67 4.07 -0.64 -3.34 115.31 118.18 3adn h LEU 73 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 3adn h LEU 73 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 3adn h LEU 73 CO -0.02 0.81 0.00 0.00 -1.08 0.00 0.00 178.44 178.15 3adn n ALA 74 N -2.36 -0.41 -1.64 1.53 0.00 -0.20 -4.07 120.51 113.37 3adn n ALA 74 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.95 3adn n ALA 74 Cb 0.89 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 20.35 3adn n ALA 74 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3adn n HIS 75 N -1.93 2.28 -0.10 0.00 -0.00 -0.01 -4.84 115.22 110.62 3adn n HIS 75 Ca 0.00 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.72 57.52 3adn n HIS 75 Cb 0.00 -2.73 0.18 0.00 -0.00 0.00 0.00 29.99 27.45 3adn n HIS 75 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3adn h GLY 76 N 11.30 0.81 -6.50 1.57 0.00 -1.77 -3.39 103.07 105.10 3adn h GLY 76 Ca -0.46 -0.52 -0.60 0.00 0.00 0.00 0.00 47.33 45.75 3adn h GLY 76 CO 0.95 0.49 -0.83 1.42 0.00 0.00 0.00 176.54 178.57 3adn n HIS 77 N -4.23 1.05 -2.93 5.60 -0.00 -1.26 -4.94 115.22 108.51 3adn n HIS 77 Ca 0.03 -3.77 -0.42 0.00 -0.00 0.00 0.00 57.72 53.55 3adn n HIS 77 Cb 0.28 -0.22 -0.05 0.00 -0.00 0.00 0.00 29.99 30.00 3adn n HIS 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3adn s ALA 78 N -0.96 3.45 -0.22 -1.41 0.00 -1.26 -4.92 121.76 116.44 3adn s ALA 78 Ca 0.32 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.63 3adn s ALA 78 Cb 0.05 -3.38 -0.19 0.00 0.00 0.00 0.00 23.12 19.60 3adn s ALA 78 CO -0.15 -1.44 -0.01 1.63 0.00 0.00 0.00 175.76 175.79 3adn n LYS 79 N 6.43 0.65 -4.01 0.00 5.02 -1.26 -4.09 118.16 120.91 3adn n LYS 79 Ca 0.04 0.28 -0.33 0.00 -2.02 0.00 0.00 58.31 56.28 3adn n LYS 79 Cb 0.48 -1.61 -0.15 0.00 -0.02 0.00 0.00 35.03 33.74 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 -2.50 3.40 -0.04 2.13 3.76 -1.26 -1.59 115.29 119.19 3adn s HIS 80 Ca -0.31 -2.40 -0.13 0.00 -0.15 0.00 0.00 55.06 52.08 3adn s HIS 80 Cb 0.09 -2.26 -0.05 0.00 1.11 0.00 0.00 32.58 31.47 3adn s HIS 80 CO 0.62 -0.89 0.33 0.08 -0.85 0.00 0.00 174.74 174.04 3adn s VAL 81 N 1.09 5.17 0.02 -0.90 1.01 -0.90 0.47 120.40 126.35 3adn s VAL 81 Ca -0.03 0.66 0.09 0.00 0.00 0.00 0.00 61.98 62.70 3adn s VAL 81 Cb -0.20 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 3adn s VAL 81 CO -0.05 0.58 -0.26 -0.22 0.00 0.00 0.00 175.10 175.16 3adn s LEU 82 N -1.00 2.16 -0.21 3.92 1.98 0.19 -2.04 118.68 123.68 3adn s LEU 82 Ca 0.21 -0.53 -0.01 0.00 -2.89 0.00 0.00 54.13 50.91 3adn s LEU 82 Cb -0.15 -1.32 0.06 0.00 0.66 0.00 0.00 46.19 45.43 3adn s LEU 82 CO 0.11 0.28 -0.02 -0.63 -1.89 0.00 0.00 176.35 174.20 3adn s ILE 83 N -0.74 1.09 -0.25 6.68 1.01 0.22 -1.19 121.20 128.03 3adn s ILE 83 Ca 0.11 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.64 3adn s ILE 83 Cb -0.10 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 3adn s ILE 83 CO 0.01 -0.13 0.68 -0.63 0.00 0.00 0.00 174.94 174.87 3adn s ILE 84 N 1.60 4.95 0.00 2.92 -1.09 0.14 -1.20 121.20 128.53 3adn s ILE 84 Ca -0.03 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 59.62 3adn s ILE 84 Cb -0.18 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 3adn s ILE 84 CO -0.07 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 3adn n GLY 85 N 4.05 -1.63 1.92 6.18 0.00 -0.67 -3.28 105.19 111.77 3adn n GLY 85 Ca 0.01 -1.33 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 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 0.11 0.23 -0.02 0.00 -1.26 -4.80 105.19 99.45 3adn n GLY 86 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.15 0.00 2.00 -0.02 0.00 -1.95 -2.65 103.07 100.30 3adn h GLY 87 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3adn h GLY 87 CO 0.10 0.00 0.00 1.29 0.00 0.00 0.00 176.54 177.93 3adn h ASP 88 N 0.00 0.00 -0.11 0.19 2.03 -1.90 -3.39 116.42 113.25 3adn h ASP 88 Ca -0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 3adn h ASP 88 Cb 0.60 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.08 3adn h ASP 88 CO 0.03 0.00 -0.04 0.61 -1.03 0.00 0.00 179.24 178.81 3adn n GLY 89 N -0.36 0.44 0.17 7.15 0.00 -1.00 -3.34 105.19 108.25 3adn n GLY 89 Ca 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 0.92 0.54 4.61 0.00 -1.83 -1.09 119.26 122.42 3adn h ALA 90 Ca -0.05 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 3adn h ALA 90 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3adn h ALA 90 CO 0.07 0.69 -0.27 1.98 0.00 0.00 0.00 179.25 181.72 3adn h MET 91 N 0.18 -0.72 -0.84 0.00 -1.53 -1.88 -2.30 114.93 107.84 3adn h MET 91 Ca 0.00 0.05 0.16 0.00 -3.44 0.00 0.00 59.70 56.47 3adn h MET 91 Cb 1.03 0.16 -0.10 0.00 -0.55 0.00 0.00 31.60 32.14 3adn h MET 91 CO 0.09 -0.48 0.39 1.25 0.14 0.00 0.00 176.91 178.29 3adn h LEU 92 N -0.75 0.41 -0.51 3.39 5.85 -1.86 -1.09 115.31 120.75 3adn h LEU 92 Ca -0.07 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.86 3adn h LEU 92 Cb 0.58 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.57 3adn h LEU 92 CO 0.11 0.13 -0.20 -0.09 -0.34 0.00 0.00 178.44 178.05 3adn h ARG 93 N 0.52 -0.08 -0.08 1.25 2.43 -0.65 -1.24 114.38 116.53 3adn h ARG 93 Ca 0.47 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.60 3adn h ARG 93 Cb 0.75 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3adn h ARG 93 CO -0.42 -0.05 -0.16 0.93 -1.51 0.00 0.00 179.97 178.76 3adn h GLU 94 N -0.08 0.25 -0.65 0.20 4.39 -0.88 -2.86 114.58 114.95 3adn h GLU 94 Ca 0.24 -0.16 0.12 0.00 0.34 0.00 0.00 59.36 59.89 3adn h GLU 94 Cb 0.46 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.04 3adn h GLU 94 CO -0.57 0.75 0.20 0.28 -1.16 0.00 0.00 179.01 178.52 3adn h VAL 95 N -0.23 0.68 -0.89 3.13 2.07 -1.14 0.43 116.25 120.31 3adn h VAL 95 Ca 0.00 -0.12 0.12 0.00 0.82 0.00 0.00 66.70 67.52 3adn h VAL 95 Cb 0.75 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 3adn h VAL 95 CO 0.04 0.06 0.57 0.74 0.02 0.00 0.00 177.57 179.00 3adn h THR 96 N 0.35 0.89 0.00 2.57 2.02 -1.24 -0.17 112.91 117.34 3adn h THR 96 Ca 0.34 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.25 3adn h THR 96 Cb 0.49 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3adn h THR 96 CO -0.38 0.14 0.01 -1.14 0.37 0.00 0.00 175.52 174.53 3adn n ARG 97 N -4.55 0.01 -3.17 6.66 0.63 0.14 -4.28 116.66 112.09 3adn n ARG 97 Ca 0.16 0.49 -0.44 0.00 -0.92 0.00 0.00 57.85 57.15 3adn n ARG 97 Cb 0.40 -1.54 -0.06 0.00 0.45 0.00 0.00 32.46 31.71 3adn n ARG 97 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3adn s HIS 98 N -3.00 3.06 0.04 -0.14 3.76 -0.08 -4.98 115.29 113.96 3adn s HIS 98 Ca -0.00 -0.71 -0.13 0.00 -0.15 0.00 0.00 55.06 54.07 3adn s HIS 98 Cb 0.00 -3.63 -0.05 0.00 1.11 0.00 0.00 32.58 30.01 3adn s HIS 98 CO 0.01 -1.08 1.22 0.87 -0.85 0.00 0.00 174.74 174.91 3adn h LYS 99 N 9.02 -0.24 0.00 1.40 1.57 -1.85 -2.39 116.57 124.07 3adn h LYS 99 Ca -0.28 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3adn h LYS 99 Cb 1.09 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3adn h LYS 99 CO 0.99 -0.16 0.62 -0.91 -0.57 0.00 0.00 179.45 179.42 3adn h ASN 100 N -0.25 0.00 -3.09 0.86 4.21 -1.93 -3.40 115.58 111.97 3adn h ASN 100 Ca 0.01 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.98 3adn h ASN 100 Cb 0.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 3adn h ASN 100 CO -0.15 0.00 0.66 -0.69 -1.29 0.00 0.00 177.43 175.96 3adn s VAL 101 N -3.57 3.87 -0.04 2.81 1.01 -0.90 -4.67 120.40 118.91 3adn s VAL 101 Ca -0.01 1.31 0.09 0.00 0.00 0.00 0.00 61.98 63.37 3adn s VAL 101 Cb 0.03 -3.84 -0.13 0.00 0.00 0.00 0.00 36.38 32.43 3adn s VAL 101 CO 0.09 0.07 0.14 -1.84 0.00 0.00 0.00 175.10 173.55 3adn n GLU 102 N 4.39 1.13 -4.82 2.72 0.28 -0.62 -5.00 120.64 118.71 3adn n GLU 102 Ca 0.10 -0.06 -0.25 0.00 -0.16 0.00 0.00 57.16 56.80 3adn n GLU 102 Cb 0.45 -1.22 -0.15 0.00 1.43 0.00 0.00 31.44 31.95 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 -3.44 2.23 -0.09 -1.84 0.15 -0.88 -4.70 113.70 105.14 3adn s SER 103 Ca -0.04 -0.39 -0.06 0.00 0.70 0.00 0.00 55.95 56.17 3adn s SER 103 Cb 0.05 -0.23 0.03 0.00 -1.71 0.00 0.00 66.02 64.16 3adn s SER 103 CO 0.38 0.20 0.22 -0.63 1.20 0.00 0.00 173.24 174.61 3adn s ILE 104 N -0.54 -0.02 -0.02 6.45 1.01 -1.21 -2.13 121.20 124.74 3adn s ILE 104 Ca 0.07 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.80 3adn s ILE 104 Cb -0.08 -0.32 0.01 0.00 0.01 0.00 0.00 42.46 42.08 3adn s ILE 104 CO -0.00 0.03 -0.02 -0.89 0.00 0.00 0.00 174.94 174.06 3adn s THR 105 N 0.66 0.28 -0.33 2.92 2.01 -0.87 -2.31 115.64 118.00 3adn s THR 105 Ca -0.05 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 61.93 3adn s THR 105 Cb -0.06 -0.30 0.10 0.00 0.01 0.00 0.00 72.50 72.25 3adn s THR 105 CO -0.04 0.12 0.06 -0.32 -0.69 0.00 0.00 174.62 173.75 3adn s MET 106 N 0.47 1.36 -0.07 4.92 0.00 -0.63 0.73 119.30 126.08 3adn s MET 106 Ca -0.05 -1.73 -0.29 0.00 0.00 0.00 0.00 55.69 53.62 3adn s MET 106 Cb -0.08 -2.99 -0.02 0.00 0.00 0.00 0.00 34.83 31.74 3adn s MET 106 CO -0.01 -0.94 0.97 0.08 0.00 0.00 0.00 175.02 175.13 3adn s VAL 107 N 1.03 4.83 -0.00 10.11 1.01 -0.34 -2.19 120.40 134.85 3adn s VAL 107 Ca 0.10 2.00 0.01 0.00 0.00 0.00 0.00 61.98 64.09 3adn s VAL 107 Cb -0.19 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.90 3adn s VAL 107 CO -0.11 0.07 -0.03 -0.70 0.00 0.00 0.00 175.10 174.33 3adn s GLU 108 N 1.60 0.28 -0.12 2.72 2.56 -0.45 -1.67 118.70 123.62 3adn s GLU 108 Ca 0.49 -0.15 -0.24 0.00 0.00 0.00 0.00 54.97 55.07 3adn s GLU 108 Cb -0.19 -0.25 -0.27 0.00 2.00 0.00 0.00 34.13 35.42 3adn s GLU 108 CO 0.21 0.07 0.69 0.97 -0.56 0.00 0.00 175.26 176.64 3adn h ILE 109 N 5.04 1.46 -1.27 -3.70 6.09 -1.83 -2.55 117.51 120.74 3adn h ILE 109 Ca -0.27 -2.39 -0.62 0.00 -1.37 0.00 0.00 64.86 60.21 3adn h ILE 109 Cb 1.20 3.05 -0.11 0.00 0.47 0.00 0.00 36.82 41.43 3adn h ILE 109 CO 0.50 0.62 1.49 -1.81 -3.07 0.00 0.00 178.15 175.88 3adn s ASP 110 N -6.67 6.57 0.65 2.19 1.01 -1.26 -4.80 116.67 114.36 3adn s ASP 110 Ca -0.19 -1.67 0.35 0.00 0.71 0.00 0.00 52.55 51.74 3adn s ASP 110 Cb 0.01 -2.55 1.89 0.00 1.01 0.00 0.00 42.92 43.29 3adn s ASP 110 CO 0.73 -1.40 2.10 0.00 0.21 0.00 0.00 175.17 176.81 3adn h ALA 111 N 9.37 1.33 0.08 5.23 0.00 -1.99 -2.27 119.26 131.00 3adn h ALA 111 Ca 0.23 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.81 3adn h ALA 111 Cb 0.99 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3adn h ALA 111 CO 1.39 -0.23 -1.80 0.78 0.00 0.00 0.00 179.25 179.39 3adn h GLY 112 N 0.00 0.19 2.00 0.00 0.00 -1.99 -3.38 103.07 99.89 3adn h GLY 112 Ca 0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3adn h GLY 112 CO -0.00 0.41 -0.14 -0.24 0.00 0.00 0.00 176.54 176.57 3adn h VAL 113 N 0.04 0.90 0.00 4.60 3.04 -1.81 -2.12 116.25 120.91 3adn h VAL 113 Ca -0.34 -0.53 -0.06 0.00 -1.01 0.00 0.00 66.70 64.76 3adn h VAL 113 Cb 2.02 1.30 -0.01 0.00 -2.01 0.00 0.00 31.29 32.60 3adn h VAL 113 CO 0.10 0.14 -0.28 -0.37 -1.01 0.00 0.00 177.57 176.15 3adn h VAL 114 N 0.00 1.11 0.10 1.51 -1.51 -1.73 -1.26 116.25 114.47 3adn h VAL 114 Ca -0.00 -0.99 -0.36 0.00 -1.23 0.00 0.00 66.70 64.12 3adn h VAL 114 Cb 0.29 1.55 -0.03 0.00 -2.13 0.00 0.00 31.29 30.97 3adn h VAL 114 CO 0.02 0.27 -2.02 -1.54 -1.23 0.00 0.00 177.57 173.08 3adn n SER 115 N -4.07 1.94 -0.05 4.19 3.41 -0.95 -2.79 113.62 115.30 3adn n SER 115 Ca -0.02 0.20 -0.10 0.00 -0.26 0.00 0.00 58.87 58.69 3adn n SER 115 Cb 0.34 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 3adn n SER 115 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3adn h PHE 116 N 0.06 0.23 0.00 7.33 0.04 -1.34 0.55 116.94 123.80 3adn h PHE 116 Ca -0.42 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.29 3adn h PHE 116 Cb 2.02 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 40.09 3adn h PHE 116 CO 0.06 0.13 -0.28 0.00 -0.60 0.00 0.00 178.31 177.63 3adn h ARG 118 N 0.00 0.00 0.01 0.00 2.43 -1.19 -1.34 114.38 114.30 3adn h ARG 118 Ca -0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 3adn h ARG 118 Cb 0.68 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 3adn h ARG 118 CO 0.04 0.40 -1.28 0.37 -1.51 0.00 0.00 179.97 177.98 3adn h GLN 119 N 0.00 0.03 0.04 0.20 4.15 0.31 -3.40 115.11 116.44 3adn h GLN 119 Ca -0.00 -0.04 -0.29 0.00 0.77 0.00 0.00 58.65 59.09 3adn h GLN 119 Cb 1.03 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.70 3adn h GLN 119 CO 0.05 1.02 -1.54 1.88 -1.93 0.00 0.00 178.83 178.31 3adn h TYR 120 N -0.90 0.17 -3.05 3.99 0.05 -0.58 -3.39 116.97 113.26 3adn h TYR 120 Ca -0.34 -0.13 -0.70 0.00 0.05 0.00 0.00 58.73 57.61 3adn h TYR 120 Cb 1.36 -0.01 -0.36 0.00 1.01 0.00 0.00 36.73 38.74 3adn h TYR 120 CO 0.10 1.18 -0.07 1.28 -1.05 0.00 0.00 178.16 179.60 3adn n LEU 121 N -3.26 4.39 -0.05 3.88 4.77 -0.50 -4.88 117.00 121.35 3adn n LEU 121 Ca -0.15 -5.20 -0.12 0.00 -0.03 0.00 0.00 56.01 50.51 3adn n LEU 121 Cb 1.03 -1.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3adn n LEU 121 CO 0.47 1.68 0.48 1.55 -1.33 0.00 0.00 177.39 180.23 3adn h PRO 122 N 5.56 0.74 0.00 3.23 0.13 -1.77 -3.12 132.00 136.77 3adn h PRO 122 Ca 0.17 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3adn h PRO 122 Cb 0.75 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3adn h PRO 122 CO 0.92 1.08 0.00 -0.91 -0.23 0.00 0.00 178.00 178.85 3adn h ASN 123 N 0.58 0.00 -0.03 1.44 4.21 -1.92 0.15 115.58 120.01 3adn h ASN 123 Ca 0.02 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.50 3adn h ASN 123 Cb 1.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.29 3adn h ASN 123 CO 0.11 0.00 -0.09 0.45 -1.29 0.00 0.00 177.43 176.60 3adn h HIS 124 N 0.00 0.15 0.11 1.19 3.86 -1.83 -3.32 115.15 115.31 3adn h HIS 124 Ca 0.00 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 3adn h HIS 124 Cb 0.51 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.96 3adn h HIS 124 CO 0.00 0.72 -0.05 -0.97 0.86 0.00 0.00 177.93 178.49 3adn h ASN 125 N -0.47 -0.13 -4.33 2.45 -0.00 -1.52 -3.19 115.58 108.40 3adn h ASN 125 Ca -0.00 -0.29 -0.38 0.00 -0.00 0.00 0.00 56.30 55.62 3adn h ASN 125 Cb 0.73 0.03 0.01 0.00 -0.00 0.00 0.00 38.32 39.09 3adn h ASN 125 CO 0.02 0.24 -0.55 0.00 -0.00 0.00 0.00 177.43 177.14 3adn n ALA 126 N -2.35 -0.91 -2.69 1.57 0.00 0.51 -1.49 120.51 115.16 3adn n ALA 126 Ca -0.09 0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.43 3adn n ALA 126 Cb 0.22 -3.08 0.02 0.00 0.00 0.00 0.00 19.45 16.60 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 -1.28 -0.04 0.07 0.00 0.00 -1.26 -4.91 105.19 97.76 3adn n GLY 127 Ca -0.12 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.80 0.04 0.59 1.61 0.87 -1.62 -3.26 113.55 110.98 3adn h SER 128 Ca -0.32 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 3adn h SER 128 Cb 1.22 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3adn h SER 128 CO 0.34 1.04 0.00 1.88 -0.53 0.00 0.00 176.83 179.57 3adn h TYR 129 N 0.01 0.00 0.00 2.24 0.05 -1.91 -2.17 116.97 115.19 3adn h TYR 129 Ca -0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3adn h TYR 129 Cb 1.86 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.60 3adn h TYR 129 CO 0.01 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 176.87 3adn n ASP 130 N -2.92 0.42 -4.74 3.88 8.00 -1.23 -4.82 116.55 115.14 3adn n ASP 130 Ca -0.01 0.56 -0.42 0.00 0.71 0.00 0.00 54.79 55.64 3adn n ASP 130 Cb 0.20 -0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 40.61 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 -3.78 6.57 0.42 -2.24 2.15 -0.82 -4.91 116.67 114.07 3adn s ASP 131 Ca 0.10 2.72 0.15 0.00 0.43 0.00 0.00 52.55 55.95 3adn s ASP 131 Cb 0.13 -2.62 0.93 0.00 -0.30 0.00 0.00 42.92 41.06 3adn s ASP 131 CO 0.49 -0.78 1.93 1.55 -0.17 0.00 0.00 175.17 178.18 3adn h PRO 132 N 5.46 0.00 -0.02 4.34 0.13 -1.90 -2.96 132.00 137.05 3adn h PRO 132 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 3adn h PRO 132 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3adn h PRO 132 CO 0.82 0.26 -0.46 0.00 -0.23 0.00 0.00 178.00 178.38 3adn h ARG 133 N 0.00 0.05 -7.15 0.86 3.08 -1.91 -3.46 114.38 105.86 3adn h ARG 133 Ca -0.00 -0.03 -0.54 0.00 0.07 0.00 0.00 59.98 59.48 3adn h ARG 133 Cb 0.47 0.00 0.16 0.00 0.08 0.00 0.00 29.97 30.68 3adn h ARG 133 CO 0.03 0.51 0.44 0.12 -1.07 0.00 0.00 179.97 180.00 3adn s PHE 134 N -3.99 2.06 -0.21 3.04 5.36 -1.12 -3.32 117.98 119.80 3adn s PHE 134 Ca -0.03 1.55 -0.10 0.00 -0.96 0.00 0.00 56.93 57.40 3adn s PHE 134 Cb 0.14 -3.57 0.08 0.00 -0.34 0.00 0.00 43.02 39.33 3adn s PHE 134 CO 0.75 -2.73 0.49 0.21 -1.46 0.00 0.00 175.22 172.47 3adn s LYS 135 N -3.67 0.46 -0.16 10.12 2.20 -0.98 -4.95 119.74 122.77 3adn s LYS 135 Ca 0.78 0.99 -0.07 0.00 -0.36 0.00 0.00 55.97 57.31 3adn s LYS 135 Cb -0.33 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.11 3adn s LYS 135 CO 0.42 -0.18 0.09 -1.17 -0.36 0.00 0.00 175.35 174.16 3adn s LEU 136 N 1.83 4.03 -0.03 5.43 2.96 -1.26 -1.61 118.68 130.03 3adn s LEU 136 Ca -0.08 0.23 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 3adn s LEU 136 Cb -0.09 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 3adn s LEU 136 CO -0.15 0.27 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.31 3adn s VAL 137 N -0.19 1.25 -0.32 1.68 1.01 -0.93 -4.95 120.40 117.95 3adn s VAL 137 Ca 0.09 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3adn s VAL 137 Cb -0.12 -1.06 0.08 0.00 0.00 0.00 0.00 36.38 35.29 3adn s VAL 137 CO 0.01 0.36 0.01 -0.63 0.00 0.00 0.00 175.10 174.85 3adn s ILE 138 N -0.14 2.39 0.38 2.22 1.09 -1.26 -1.34 121.20 124.53 3adn s ILE 138 Ca 0.01 -2.02 -0.14 0.00 -1.10 0.00 0.00 60.65 57.40 3adn s ILE 138 Cb -0.08 -2.61 0.05 0.00 -1.06 0.00 0.00 42.46 38.75 3adn s ILE 138 CO 0.01 -0.39 0.73 -0.62 -0.10 0.00 0.00 174.94 174.57 3adn s ASP 139 N 1.07 0.15 0.06 3.58 2.15 -0.96 -4.95 116.67 117.77 3adn s ASP 139 Ca 0.03 -1.19 -0.12 0.00 0.43 0.00 0.00 52.55 51.70 3adn s ASP 139 Cb -0.20 0.82 -0.03 0.00 -0.30 0.00 0.00 42.92 43.21 3adn s ASP 139 CO -0.06 -1.62 1.21 -0.78 -0.17 0.00 0.00 175.17 173.75 3adn h ASP 140 N 2.02 -0.80 0.00 -0.34 3.58 -1.94 -3.33 116.42 115.61 3adn h ASP 140 Ca -0.31 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.26 3adn h ASP 140 Cb 1.25 0.35 0.00 0.00 1.72 0.00 0.00 39.33 42.65 3adn h ASP 140 CO 0.40 -0.11 0.00 0.61 -2.88 0.00 0.00 179.24 177.26 3adn n GLY 141 N -1.11 1.01 1.61 -0.78 0.00 -1.26 -4.67 105.19 99.99 3adn n GLY 141 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 3adn n GLY 141 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3adn n VAL 142 N 0.00 2.18 -2.59 1.61 0.24 -1.26 -5.06 118.33 113.45 3adn n VAL 142 Ca 0.00 -1.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.19 3adn n VAL 142 Cb 0.00 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 3adn n VAL 142 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3adn n ASN 143 N 0.38 0.00 -0.27 -1.34 0.23 -1.26 -4.81 115.26 108.19 3adn n ASN 143 Ca 0.23 -0.07 0.08 0.00 -0.53 0.00 0.00 54.58 54.30 3adn n ASN 143 Cb 1.02 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.94 3adn n ASN 143 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 3adn h GLN 147 N 0.00 0.37 0.00 -3.83 4.15 -2.03 -3.49 115.11 110.28 3adn h GLN 147 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3adn h GLN 147 Cb 0.00 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.61 3adn h GLN 147 CO 0.00 0.25 0.00 0.25 -1.93 0.00 0.00 178.83 177.40 3adn n THR 148 N -5.06 0.00 -2.61 2.39 -2.24 -1.26 -4.43 114.28 101.07 3adn n THR 148 Ca 0.17 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.75 3adn n THR 148 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3adn n THR 148 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3adn n SER 149 N 0.00 -5.50 0.02 3.42 2.88 -1.26 -4.88 113.62 108.30 3adn n SER 149 Ca 0.00 -0.07 -0.14 0.00 -1.33 0.00 0.00 58.87 57.34 3adn n SER 149 Cb 0.00 -4.56 -0.14 0.00 -0.75 0.00 0.00 64.21 58.77 3adn n SER 149 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3adn h GLN 150 N -0.39 0.14 -3.48 -1.46 4.15 -1.92 -3.51 115.11 108.64 3adn h GLN 150 Ca -0.47 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 58.71 3adn h GLN 150 Cb 1.34 0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.12 3adn h GLN 150 CO 0.54 0.90 -0.74 2.41 -1.93 0.00 0.00 178.83 180.01 3adn n THR 151 N -3.30 -9.42 -4.51 2.39 -1.04 -1.26 -5.08 114.28 92.06 3adn n THR 151 Ca -0.18 2.51 -0.24 0.00 -2.04 0.00 0.00 64.05 64.10 3adn n THR 151 Cb 1.04 -4.29 -0.10 0.00 -1.82 0.00 0.00 70.33 65.16 3adn n THR 151 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3adn s PHE 152 N -0.75 2.02 -0.19 -1.42 0.08 -0.75 -4.91 117.98 112.07 3adn s PHE 152 Ca 0.00 -0.96 0.13 0.00 0.12 0.00 0.00 56.93 56.22 3adn s PHE 152 Cb 0.00 -1.37 -0.20 0.00 -0.57 0.00 0.00 43.02 40.88 3adn s PHE 152 CO 0.00 0.05 -0.00 -0.25 -0.10 0.00 0.00 175.22 174.92 3adn n ASP 153 N -0.86 0.97 -3.79 1.36 8.00 0.18 -0.53 116.55 121.87 3adn n ASP 153 Ca -0.04 -0.03 -0.16 0.00 0.71 0.00 0.00 54.79 55.26 3adn n ASP 153 Cb 0.66 0.63 -0.16 0.00 -0.02 0.00 0.00 41.12 42.23 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 -2.44 0.08 -0.12 2.53 1.01 -1.17 -1.09 120.40 119.20 3adn s VAL 154 Ca -0.14 0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3adn s VAL 154 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 3adn s VAL 154 CO 0.69 0.13 -0.13 -0.63 0.00 0.00 0.00 175.10 175.15 3adn s ILE 155 N 1.10 3.10 -0.27 2.22 1.01 -0.33 -0.64 121.20 127.38 3adn s ILE 155 Ca -0.09 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 59.93 3adn s ILE 155 Cb -0.13 -2.29 0.07 0.00 0.01 0.00 0.00 42.46 40.12 3adn s ILE 155 CO -0.02 0.53 -0.05 -0.63 0.00 0.00 0.00 174.94 174.77 3adn s ILE 156 N 0.20 1.98 0.50 2.92 1.01 -0.33 -1.80 121.20 125.68 3adn s ILE 156 Ca -0.08 -1.67 0.07 0.00 0.00 0.00 0.00 60.65 58.97 3adn s ILE 156 Cb -0.15 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.12 3adn s ILE 156 CO 0.05 -0.19 0.42 -0.55 0.00 0.00 0.00 174.94 174.67 3adn s SER 157 N 1.15 4.78 0.00 3.58 0.15 -0.93 -0.68 113.70 121.76 3adn s SER 157 Ca -0.03 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.56 3adn s SER 157 Cb -0.19 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.18 3adn s SER 157 CO -0.07 -0.97 0.73 0.47 1.20 0.00 0.00 173.24 174.61 3adn n ASP 158 N -1.72 1.28 -1.18 5.45 8.00 -1.20 -3.32 116.55 123.85 3adn n ASP 158 Ca 0.02 -1.54 0.14 0.00 0.71 0.00 0.00 54.79 54.12 3adn n ASP 158 Cb 0.63 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.68 3adn n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3adn n PHE 170 N -3.62 0.00 -4.40 0.00 7.35 -1.26 -5.07 117.46 110.45 3adn n PHE 170 Ca -0.02 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.46 3adn n PHE 170 Cb 0.63 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.37 3adn n PHE 170 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 3adn s THR 171 N 0.00 0.53 0.12 -2.13 -1.32 -1.26 -4.98 115.64 106.59 3adn s THR 171 Ca 0.00 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.19 3adn s THR 171 Cb 0.00 -2.51 -0.08 0.00 -1.51 0.00 0.00 72.50 68.40 3adn s THR 171 CO 0.00 0.00 1.60 0.28 -2.21 0.00 0.00 174.62 174.29 3adn h SER 172 N 2.08 -1.12 -0.30 8.08 0.02 -2.00 -3.04 113.55 117.27 3adn h SER 172 Ca -0.35 0.13 0.04 0.00 -0.84 0.00 0.00 61.79 60.77 3adn h SER 172 Cb 1.26 0.43 -0.07 0.00 0.14 0.00 0.00 62.40 64.16 3adn h SER 172 CO 0.56 -0.44 -0.53 0.00 -1.14 0.00 0.00 176.83 175.27 3adn h ALA 173 N 0.02 -0.81 -0.96 3.77 0.00 -1.99 -0.86 119.26 118.43 3adn h ALA 173 Ca 0.04 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.10 3adn h ALA 173 Cb 0.63 1.07 -0.10 0.00 0.00 0.00 0.00 17.79 19.39 3adn h ALA 173 CO -0.26 -1.04 0.56 0.35 0.00 0.00 0.00 179.25 178.85 3adn h PHE 174 N -0.45 0.98 -0.07 0.00 3.57 -1.88 -1.04 116.94 118.04 3adn h PHE 174 Ca 0.06 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.35 3adn h PHE 174 Cb 0.60 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 39.07 3adn h PHE 174 CO -0.67 0.22 -0.91 1.88 -2.23 0.00 0.00 178.31 176.60 3adn h TYR 175 N 0.73 1.02 -0.70 0.41 0.05 -1.35 -1.62 116.97 115.50 3adn h TYR 175 Ca 0.54 -0.50 0.04 0.00 0.05 0.00 0.00 58.73 58.86 3adn h TYR 175 Cb 0.81 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.37 3adn h TYR 175 CO -0.03 1.34 0.46 1.49 -1.05 0.00 0.00 178.16 180.36 3adn h GLU 176 N 0.45 0.78 -0.06 4.88 4.81 -0.42 -0.95 114.58 124.07 3adn h GLU 176 Ca -0.09 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 3adn h GLU 176 Cb 1.55 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 3adn h GLU 176 CO 0.18 0.52 -0.06 0.78 -0.73 0.00 0.00 179.01 179.70 3adn h GLY 177 N 0.81 0.15 1.09 1.92 0.00 -1.14 -1.69 103.07 104.21 3adn h GLY 177 Ca 0.29 -0.16 0.13 0.00 0.00 0.00 0.00 47.33 47.58 3adn h GLY 177 CO -0.09 0.14 0.34 0.00 0.00 0.00 0.00 176.54 176.93 3adn h LYS 179 N 0.00 0.21 -0.92 0.00 3.64 -1.06 -3.29 116.57 115.15 3adn h LYS 179 Ca 0.21 -0.35 0.14 0.00 -1.27 0.00 0.00 60.65 59.38 3adn h LYS 179 Cb 0.87 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.75 3adn h LYS 179 CO -0.00 1.16 0.59 -0.09 -2.27 0.00 0.00 179.45 178.84 3adn h ARG 180 N -0.56 0.73 -1.09 1.90 1.12 -0.34 -1.59 114.38 114.55 3adn h ARG 180 Ca -0.10 -0.04 -0.67 0.00 -1.11 0.00 0.00 59.98 58.06 3adn h ARG 180 Cb 1.43 -0.16 -0.31 0.00 -0.01 0.00 0.00 29.97 30.92 3adn h ARG 180 CO 0.10 0.48 0.67 0.00 -3.11 0.00 0.00 179.97 178.12 3adn s LEU 182 N -3.83 2.02 0.84 0.00 2.96 -0.60 -1.81 118.68 118.26 3adn s LEU 182 Ca 0.62 -0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 54.18 3adn s LEU 182 Cb 0.49 -0.67 0.10 0.00 0.50 0.00 0.00 46.19 46.61 3adn s LEU 182 CO -0.05 0.16 1.15 0.20 -1.32 0.00 0.00 176.35 176.48 3adn s ASN 183 N -0.29 3.55 0.60 3.68 -0.87 0.31 -4.86 114.94 117.06 3adn s ASN 183 Ca 0.05 2.14 0.28 0.00 -1.57 0.00 0.00 52.86 53.75 3adn s ASN 183 Cb -0.05 -2.56 1.35 0.00 -0.02 0.00 0.00 41.25 39.96 3adn s ASN 183 CO -0.00 -2.68 1.75 -0.65 -2.57 0.00 0.00 177.10 172.95 3adn h PRO 184 N -1.37 0.00 0.00 -0.60 0.11 -1.97 -1.51 132.00 126.65 3adn h PRO 184 Ca -0.44 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 3adn h PRO 184 Cb 1.26 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.25 3adn h PRO 184 CO 0.45 0.00 -0.58 0.41 -0.21 0.00 0.00 178.00 178.07 3adn n GLY 185 N -1.53 3.15 3.82 -0.55 0.00 -1.26 -4.72 105.19 104.10 3adn n GLY 185 Ca 0.11 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 3adn n GLY 185 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3adn s GLY 186 N -2.47 1.66 0.12 -0.02 0.00 -0.57 -4.84 107.32 101.20 3adn s GLY 186 Ca 0.30 0.07 0.10 0.00 0.00 0.00 0.00 44.72 45.19 3adn s GLY 186 CO -0.07 0.39 -0.21 -0.42 0.00 0.00 0.00 173.10 172.78 3adn s ILE 187 N -3.05 2.61 -0.13 0.90 1.01 -0.25 -4.27 121.20 118.03 3adn s ILE 187 Ca 0.58 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 59.65 3adn s ILE 187 Cb -0.14 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.17 3adn s ILE 187 CO 0.55 0.11 -0.11 0.12 0.00 0.00 0.00 174.94 175.61 3adn s PHE 188 N -1.10 1.82 0.24 3.97 5.36 0.16 -1.19 117.98 127.25 3adn s PHE 188 Ca 0.16 -0.97 0.11 0.00 -0.96 0.00 0.00 56.93 55.27 3adn s PHE 188 Cb -0.10 -1.41 -0.05 0.00 -0.34 0.00 0.00 43.02 41.12 3adn s PHE 188 CO 0.08 -0.58 -0.19 0.14 -1.46 0.00 0.00 175.22 173.21 3adn s VAL 189 N 1.55 2.23 -0.18 3.12 -7.23 -0.74 -1.07 120.40 118.07 3adn s VAL 189 Ca 0.04 -2.28 -0.28 0.00 -1.81 0.00 0.00 61.98 57.66 3adn s VAL 189 Cb -0.13 -2.18 0.08 0.00 0.56 0.00 0.00 36.38 34.71 3adn s VAL 189 CO -0.09 -0.41 0.73 0.00 -0.31 0.00 0.00 175.10 175.03 3adn s ALA 190 N -2.49 -1.79 0.03 1.32 0.00 -1.13 -2.18 121.76 115.51 3adn s ALA 190 Ca 0.26 1.72 -0.30 0.00 0.00 0.00 0.00 51.96 53.64 3adn s ALA 190 Cb -0.04 -0.71 -0.06 0.00 0.00 0.00 0.00 23.12 22.31 3adn s ALA 190 CO 0.12 -0.34 1.37 -1.14 0.00 0.00 0.00 175.76 175.76 3adn s GLN 191 N -0.31 4.31 -0.21 0.00 -0.44 -1.21 -0.21 119.66 121.59 3adn s GLN 191 Ca -0.04 1.96 0.11 0.00 -2.50 0.00 0.00 55.36 54.89 3adn s GLN 191 Cb -0.03 -3.48 0.42 0.00 -1.64 0.00 0.00 33.01 28.28 3adn s GLN 191 CO 0.04 -0.51 1.24 -1.71 0.50 0.00 0.00 175.29 174.85 3adn n ASN 192 N 4.93 1.84 -0.53 6.67 4.05 0.14 -4.57 115.26 127.78 3adn n ASN 192 Ca 0.12 -3.83 0.07 0.00 0.45 0.00 0.00 54.58 51.39 3adn n ASN 192 Cb 0.44 -0.53 -0.03 0.00 1.23 0.00 0.00 39.78 40.89 3adn n ASN 192 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3adn n GLY 193 N -1.14 -2.44 3.69 8.20 0.00 -1.24 -4.61 105.19 107.65 3adn n GLY 193 Ca 0.20 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.80 4.42 -0.40 1.61 0.11 -1.26 -0.08 120.40 122.00 3adn s VAL 194 Ca 0.00 1.72 -0.12 0.00 -2.93 0.00 0.00 61.98 60.65 3adn s VAL 194 Cb 0.00 -4.11 0.04 0.00 -1.53 0.00 0.00 36.38 30.78 3adn s VAL 194 CO 0.00 0.01 0.25 0.00 -3.33 0.00 0.00 175.10 172.03 3adn n PHE 196 N 5.04 -0.13 0.70 0.00 7.35 -1.26 -4.71 117.46 124.45 3adn n PHE 196 Ca -0.11 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.69 3adn n PHE 196 Cb 0.46 0.03 0.04 0.00 0.35 0.00 0.00 39.48 40.36 3adn n PHE 196 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3adn n LEU 197 N -1.03 0.64 -3.55 -2.13 4.77 -1.26 -4.93 117.00 109.51 3adn n LEU 197 Ca 0.00 -0.08 -0.16 0.00 -0.03 0.00 0.00 56.01 55.74 3adn n LEU 197 Cb 0.00 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 3adn n LEU 197 CO 0.00 0.08 0.51 -1.58 -1.33 0.00 0.00 177.39 175.07 3adn s GLN 198 N -3.14 0.92 0.00 3.23 -0.44 -1.26 -5.05 119.66 113.92 3adn s GLN 198 Ca 0.06 0.36 0.00 0.00 -2.50 0.00 0.00 55.36 53.28 3adn s GLN 198 Cb 0.15 0.44 0.00 0.00 -1.64 0.00 0.00 33.01 31.96 3adn s GLN 198 CO 0.79 -0.26 0.49 1.04 0.50 0.00 0.00 175.29 177.85 3adn n GLN 199 N 1.20 0.19 0.22 1.67 3.00 -1.26 -4.52 117.38 117.89 3adn n GLN 199 Ca -0.16 -0.52 0.05 0.00 -0.01 0.00 0.00 57.00 56.36 3adn n GLN 199 Cb 0.57 -0.54 0.50 0.00 0.00 0.00 0.00 30.24 30.77 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 0.00 0.00 -0.46 -1.09 3.07 -1.98 -2.33 114.58 111.78 3adn h GLU 200 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 3adn h GLU 200 Cb 0.91 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 3adn h GLU 200 CO 0.00 0.19 -0.21 0.93 -1.40 0.00 0.00 179.01 178.53 3adn h GLU 201 N 0.00 0.94 -0.47 2.33 5.08 -1.93 -0.31 114.58 120.21 3adn h GLU 201 Ca -0.00 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 57.90 3adn h GLU 201 Cb 0.35 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3adn h GLU 201 CO 0.03 1.05 0.03 0.00 -1.00 0.00 0.00 179.01 179.12 3adn h ALA 202 N 0.94 0.63 -0.80 3.43 0.00 -1.74 -0.76 119.26 120.97 3adn h ALA 202 Ca 0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3adn h ALA 202 Cb 0.76 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3adn h ALA 202 CO 0.06 0.39 0.34 0.82 0.00 0.00 0.00 179.25 180.86 3adn h ILE 203 N 0.66 1.26 -0.14 0.00 2.04 -1.27 -0.03 117.51 120.03 3adn h ILE 203 Ca 0.14 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 3adn h ILE 203 Cb 0.45 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3adn h ILE 203 CO 0.02 0.33 -0.09 -0.78 0.00 0.00 0.00 178.15 177.62 3adn h ASP 204 N 1.15 0.32 -0.50 1.72 3.58 -0.85 -1.61 116.42 120.23 3adn h ASP 204 Ca 0.27 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.28 3adn h ASP 204 Cb 0.19 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 3adn h ASP 204 CO -0.03 0.69 0.32 0.28 -2.88 0.00 0.00 179.24 177.62 3adn h SER 205 N -0.05 0.59 -0.54 2.28 0.02 -1.00 -1.39 113.55 113.46 3adn h SER 205 Ca 0.03 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3adn h SER 205 Cb 0.58 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 3adn h SER 205 CO 0.03 0.45 0.27 -0.74 -1.14 0.00 0.00 176.83 175.70 3adn h HIS 206 N 0.68 0.78 -0.81 3.45 -0.00 -0.98 0.30 115.15 118.57 3adn h HIS 206 Ca 0.18 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 3adn h HIS 206 Cb -0.04 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 27.09 3adn h HIS 206 CO -0.03 0.60 0.49 -0.09 -0.00 0.00 0.00 177.93 178.89 3adn h ARG 207 N 0.73 1.09 0.37 5.26 2.43 -0.92 -1.49 114.38 121.86 3adn h ARG 207 Ca 0.19 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3adn h ARG 207 Cb 0.10 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3adn h ARG 207 CO -0.03 0.76 -0.18 0.87 -1.51 0.00 0.00 179.97 179.89 3adn h LYS 208 N 1.10 -0.48 -0.83 0.20 1.57 -0.80 -3.29 116.57 114.03 3adn h LYS 208 Ca 0.29 0.03 0.19 0.00 -1.87 0.00 0.00 60.65 59.29 3adn h LYS 208 Cb -0.05 0.11 -0.15 0.00 0.08 0.00 0.00 32.23 32.22 3adn h LYS 208 CO -0.06 -0.32 -0.09 -0.07 -0.57 0.00 0.00 179.45 178.34 3adn h LEU 209 N -0.83 -0.57 -1.81 2.94 4.07 -0.44 0.53 115.31 119.20 3adn h LEU 209 Ca -0.05 0.24 0.14 0.00 0.08 0.00 0.00 57.88 58.28 3adn h LEU 209 Cb 0.39 0.45 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 3adn h LEU 209 CO 0.08 -0.25 0.56 0.28 -1.08 0.00 0.00 178.44 178.03 3adn h SER 210 N 0.04 0.00 1.38 -0.43 0.02 -1.35 0.37 113.55 113.58 3adn h SER 210 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 3adn h SER 210 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 3adn h SER 210 CO -0.80 0.00 0.00 -0.74 -1.14 0.00 0.00 176.83 174.15 3adn h HIS 211 N 0.00 0.00 0.00 3.45 -0.00 0.01 -3.30 115.15 115.32 3adn h HIS 211 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 3adn h HIS 211 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.76 3adn h HIS 211 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.93 178.59 3adn n TYR 212 N -2.56 0.00 -3.90 5.26 4.01 0.12 -5.03 117.16 115.05 3adn n TYR 212 Ca 0.04 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.67 3adn n TYR 212 Cb 0.39 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.30 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 -0.14 0.07 -1.20 -0.72 0.08 -0.45 -4.93 117.98 110.69 3adn s PHE 213 Ca 0.00 -0.14 0.27 0.00 0.12 0.00 0.00 56.93 57.18 3adn s PHE 213 Cb 0.00 -0.06 0.90 0.00 -0.57 0.00 0.00 43.02 43.29 3adn s PHE 213 CO 0.00 -0.11 1.68 -1.13 -0.10 0.00 0.00 175.22 175.56 3adn n SER 214 N 2.38 0.38 -3.65 1.36 3.41 -1.20 -4.41 113.62 111.90 3adn n SER 214 Ca -0.17 -0.15 -0.28 0.00 -0.26 0.00 0.00 58.87 58.01 3adn n SER 214 Cb 0.58 -0.05 -0.16 0.00 -0.26 0.00 0.00 64.21 64.31 3adn n SER 214 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3adn s ASP 215 N -2.84 3.11 -0.07 4.04 2.15 -0.38 -4.94 116.67 117.75 3adn s ASP 215 Ca 0.17 -1.03 0.03 0.00 0.43 0.00 0.00 52.55 52.15 3adn s ASP 215 Cb 0.19 -0.48 0.01 0.00 -0.30 0.00 0.00 42.92 42.33 3adn s ASP 215 CO 0.59 -0.37 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.37 3adn s VAL 216 N 1.96 1.35 0.00 1.11 1.01 -1.26 -1.60 120.40 122.98 3adn s VAL 216 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3adn s VAL 216 Cb -0.17 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.01 3adn s VAL 216 CO -0.19 0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3adn n GLY 217 N 3.64 3.41 3.26 4.51 0.00 0.44 -5.00 105.19 115.44 3adn n GLY 217 Ca -0.21 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 3adn n GLY 217 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3adn s PHE 218 N -2.27 -0.25 0.44 1.61 0.08 -1.26 -0.56 117.98 115.77 3adn s PHE 218 Ca 0.00 0.47 0.04 0.00 0.12 0.00 0.00 56.93 57.56 3adn s PHE 218 Cb 0.00 0.12 -0.05 0.00 -0.57 0.00 0.00 43.02 42.53 3adn s PHE 218 CO 0.00 -0.36 0.02 1.52 -0.10 0.00 0.00 175.22 176.31 3adn s TYR 219 N -0.98 2.13 0.08 0.36 1.13 -0.41 -4.74 117.35 114.92 3adn s TYR 219 Ca -0.10 -0.87 -0.11 0.00 -1.41 0.00 0.00 57.07 54.57 3adn s TYR 219 Cb -0.04 -1.60 0.01 0.00 -1.10 0.00 0.00 41.96 39.23 3adn s TYR 219 CO 0.04 0.24 0.24 -1.14 -2.51 0.00 0.00 175.55 172.42 3adn s GLN 220 N -3.80 0.85 0.00 -3.49 -0.44 0.18 -1.24 119.66 111.73 3adn s GLN 220 Ca 0.22 -0.80 -0.25 0.00 -2.50 0.00 0.00 55.36 52.03 3adn s GLN 220 Cb 0.06 0.36 0.06 0.00 -1.64 0.00 0.00 33.01 31.84 3adn s GLN 220 CO 0.11 -0.28 0.57 0.00 0.50 0.00 0.00 175.29 176.20 3adn s ALA 221 N -3.47 -1.48 -0.33 1.58 0.00 -1.07 -4.60 121.76 112.39 3adn s ALA 221 Ca 0.02 0.89 -0.09 0.00 0.00 0.00 0.00 51.96 52.78 3adn s ALA 221 Cb 0.03 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.36 3adn s ALA 221 CO -0.09 -0.43 0.14 0.00 0.00 0.00 0.00 175.76 175.38 3adn s ALA 222 N -1.81 3.19 -0.32 0.00 0.00 -1.26 -0.75 121.76 120.80 3adn s ALA 222 Ca -0.09 -1.54 -0.16 0.00 0.00 0.00 0.00 51.96 50.18 3adn s ALA 222 Cb -0.01 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.74 3adn s ALA 222 CO 0.04 -1.09 0.39 0.42 0.00 0.00 0.00 175.76 175.52 3adn s ILE 223 N 1.54 5.14 0.48 0.00 1.09 -1.26 -4.98 121.20 123.21 3adn s ILE 223 Ca 0.03 0.24 0.22 0.00 -1.10 0.00 0.00 60.65 60.03 3adn s ILE 223 Cb -0.18 -3.81 0.39 0.00 -1.06 0.00 0.00 42.46 37.80 3adn s ILE 223 CO 0.05 -0.04 1.94 1.55 -0.10 0.00 0.00 174.94 178.33 3adn h PRO 224 N 8.38 0.20 0.00 2.79 0.13 -1.93 -1.36 132.00 140.22 3adn h PRO 224 Ca -0.30 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3adn h PRO 224 Cb 1.15 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3adn h PRO 224 CO 0.69 0.13 -0.13 1.15 -0.23 0.00 0.00 178.00 179.61 3adn h THR 225 N 0.20 0.00 -3.06 1.56 2.02 -1.95 -3.38 112.91 108.30 3adn h THR 225 Ca 0.34 -0.73 -0.76 0.00 0.77 0.00 0.00 66.41 66.03 3adn h THR 225 Cb 1.05 1.65 -0.23 0.00 -1.74 0.00 0.00 68.15 68.88 3adn h THR 225 CO -0.07 0.00 0.67 -0.31 0.37 0.00 0.00 175.52 176.19 3adn s TYR 226 N -3.17 3.76 0.30 3.16 2.02 -0.51 -4.98 117.35 117.93 3adn s TYR 226 Ca 0.08 -2.17 -0.27 0.00 -0.37 0.00 0.00 57.07 54.34 3adn s TYR 226 Cb 0.09 -4.03 -0.14 0.00 -0.40 0.00 0.00 41.96 37.48 3adn s TYR 226 CO 0.65 -1.17 0.85 0.98 -1.57 0.00 0.00 175.55 175.30 3adn n TYR 227 N 4.42 0.69 0.00 2.71 9.36 -1.26 -4.14 117.16 128.94 3adn n TYR 227 Ca 0.25 0.74 0.00 0.00 3.32 0.00 0.00 57.90 62.20 3adn n TYR 227 Cb 0.44 -2.16 0.00 0.00 -0.63 0.00 0.00 39.34 36.99 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 1.44 1.39 7.00 2.98 0.00 -1.26 -4.92 105.19 111.82 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 -0.22 0.64 3.53 -0.02 0.00 -1.26 -4.71 105.19 103.15 3adn n GLY 229 Ca 0.00 -0.82 -0.46 0.00 0.00 0.00 0.00 46.02 44.73 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 1.81 -4.83 -0.61 2.08 -1.26 -4.33 119.36 112.22 3adn n ILE 230 Ca 0.00 -0.45 -0.31 0.00 0.56 0.00 0.00 62.75 62.55 3adn n ILE 230 Cb 0.00 -0.68 -0.14 0.00 -0.75 0.00 0.00 39.64 38.07 3adn n ILE 230 CO 0.00 0.00 0.00 -0.32 0.56 0.00 0.00 176.55 176.79 3adn s MET 231 N -1.21 2.05 -0.16 0.38 -2.45 0.07 -2.11 119.30 115.86 3adn s MET 231 Ca 0.63 -0.98 -0.08 0.00 -1.25 0.00 0.00 55.69 54.00 3adn s MET 231 Cb -0.79 -2.13 -0.04 0.00 1.25 0.00 0.00 34.83 33.11 3adn s MET 231 CO 0.58 0.54 0.12 0.99 1.05 0.00 0.00 175.02 178.30 3adn s THR 232 N -0.84 5.32 -0.23 10.11 2.01 0.89 -2.60 115.64 130.31 3adn s THR 232 Ca 0.13 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.30 3adn s THR 232 Cb -0.10 -3.38 0.04 0.00 0.01 0.00 0.00 72.50 69.07 3adn s THR 232 CO 0.03 0.51 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.98 3adn s PHE 233 N -0.19 3.09 0.62 4.92 0.08 -0.37 0.27 117.98 126.40 3adn s PHE 233 Ca 0.10 -2.04 -0.19 0.00 0.12 0.00 0.00 56.93 54.92 3adn s PHE 233 Cb -0.12 -1.94 -0.02 0.00 -0.57 0.00 0.00 43.02 40.37 3adn s PHE 233 CO 0.01 -0.84 1.29 0.00 -0.10 0.00 0.00 175.22 175.57 3adn s ALA 234 N 1.18 2.48 -0.10 5.36 0.00 0.71 -1.28 121.76 130.12 3adn s ALA 234 Ca -0.04 1.21 -0.03 0.00 0.00 0.00 0.00 51.96 53.10 3adn s ALA 234 Cb -0.17 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.45 3adn s ALA 234 CO -0.08 -1.49 0.09 -0.46 0.00 0.00 0.00 175.76 173.82 3adn s TRP 235 N -1.40 0.06 -0.01 0.00 -0.11 0.28 -2.85 118.94 114.90 3adn s TRP 235 Ca 0.80 0.10 0.01 0.00 1.22 0.00 0.00 56.10 58.23 3adn s TRP 235 Cb -0.37 -0.52 0.01 0.00 -1.50 0.00 0.00 33.47 31.08 3adn s TRP 235 CO 0.40 -0.33 -0.04 0.00 -4.62 0.00 0.00 176.95 172.36 3adn s ALA 236 N 2.18 0.45 -0.14 5.86 0.00 -0.24 -0.42 121.76 129.45 3adn s ALA 236 Ca 0.04 -0.13 -0.32 0.00 0.00 0.00 0.00 51.96 51.55 3adn s ALA 236 Cb -0.14 -0.20 0.13 0.00 0.00 0.00 0.00 23.12 22.92 3adn s ALA 236 CO -0.06 0.06 1.09 -0.08 0.00 0.00 0.00 175.76 176.77 3adn s THR 237 N 0.24 0.00 -0.98 0.00 -1.32 -0.62 -0.66 115.64 112.30 3adn s THR 237 Ca -0.02 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.71 3adn s THR 237 Cb -0.06 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.96 3adn s THR 237 CO -0.00 0.00 1.46 0.47 -2.21 0.00 0.00 174.62 174.34 3adn n ASP 238 N 0.09 0.46 -4.42 8.08 8.00 -1.26 -1.25 116.55 126.25 3adn n ASP 238 Ca -0.04 -0.15 -0.45 0.00 0.71 0.00 0.00 54.79 54.86 3adn n ASP 238 Cb 0.59 0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.84 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 -3.07 6.78 0.00 -2.24 3.04 -1.26 -4.75 114.94 113.43 3adn s ASN 239 Ca 0.11 -2.44 0.00 0.00 0.04 0.00 0.00 52.86 50.57 3adn s ASN 239 Cb 0.17 -2.35 0.00 0.00 -1.54 0.00 0.00 41.25 37.54 3adn s ASN 239 CO 0.68 -0.86 0.33 -0.90 -3.04 0.00 0.00 177.10 173.31 3adn n ASP 240 N 5.62 0.02 -0.04 -4.21 5.75 -1.26 -2.54 116.55 119.89 3adn n ASP 240 Ca 0.24 -0.68 0.03 0.00 -0.01 0.00 0.00 54.79 54.38 3adn n ASP 240 Cb 0.47 -0.01 -0.15 0.00 -1.03 0.00 0.00 41.12 40.39 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 -0.44 2.30 0.00 2.12 0.00 -1.26 -4.66 120.51 118.57 3adn n ALA 241 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3adn n ALA 241 Cb 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.38 0.00 -3.53 0.00 4.32 -1.05 -3.40 117.00 110.95 3adn n LEU 242 Ca -0.14 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.58 3adn n LEU 242 Cb 0.74 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.45 3adn n LEU 242 CO 0.41 0.00 -0.02 -2.11 -1.22 0.00 0.00 177.39 174.46 3adn n ARG 243 N 0.07 2.01 -3.25 3.23 1.85 -1.26 -4.84 116.66 114.48 3adn n ARG 243 Ca 0.00 -4.38 -0.19 0.00 -1.00 0.00 0.00 57.85 52.27 3adn n ARG 243 Cb 0.00 -2.12 -0.01 0.00 -1.05 0.00 0.00 32.46 29.28 3adn n ARG 243 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 3adn n HIS 244 N 1.32 -0.63 -1.68 2.89 1.44 -1.22 -5.11 115.22 112.23 3adn n HIS 244 Ca 0.26 -1.67 -0.39 0.00 -2.01 0.00 0.00 57.72 53.92 3adn n HIS 244 Cb 0.41 -0.31 0.04 0.00 0.12 0.00 0.00 29.99 30.26 3adn n HIS 244 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 3adn n LEU 245 N 0.00 4.52 -0.05 2.39 -0.00 -1.26 -4.93 117.00 117.68 3adn n LEU 245 Ca -0.03 0.92 -0.08 0.00 -0.00 0.00 0.00 56.01 56.82 3adn n LEU 245 Cb 0.45 -1.48 -0.02 0.00 -0.00 0.00 0.00 43.42 42.37 3adn n LEU 245 CO 0.26 -1.17 0.76 -1.28 -0.00 0.00 0.00 177.39 175.96 3adn h SER 246 N 1.06 -0.47 -0.56 1.45 0.87 -1.99 -3.04 113.55 110.88 3adn h SER 246 Ca -0.49 0.10 0.10 0.00 -1.23 0.00 0.00 61.79 60.27 3adn h SER 246 Cb 1.33 0.25 -0.08 0.00 -0.44 0.00 0.00 62.40 63.46 3adn h SER 246 CO 0.55 -0.18 0.14 0.71 -0.53 0.00 0.00 176.83 177.51 3adn h THR 247 N -0.13 0.70 -0.69 2.23 1.35 -1.95 0.40 112.91 114.83 3adn h THR 247 Ca 0.13 -0.10 0.06 0.00 -0.55 0.00 0.00 66.41 65.95 3adn h THR 247 Cb 0.32 0.39 -0.04 0.00 -1.73 0.00 0.00 68.15 67.09 3adn h THR 247 CO -0.31 0.05 0.45 -0.33 -0.25 0.00 0.00 175.52 175.13 3adn h GLU 248 N 0.28 0.70 0.00 4.72 3.07 -1.93 0.33 114.58 121.76 3adn h GLU 248 Ca 0.29 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 3adn h GLU 248 Cb 0.40 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3adn h GLU 248 CO -0.35 0.46 0.00 0.82 -1.40 0.00 0.00 179.01 178.54 3adn h ILE 249 N 0.72 0.00 -0.07 3.13 1.08 -0.16 -3.05 117.51 119.17 3adn h ILE 249 Ca 0.29 -0.33 -0.31 0.00 -0.39 0.00 0.00 64.86 64.12 3adn h ILE 249 Cb 0.23 1.20 -0.06 0.00 -3.07 0.00 0.00 36.82 35.13 3adn h ILE 249 CO -0.09 0.00 0.56 -0.38 -0.69 0.00 0.00 178.15 177.55 3adn n ILE 250 N -2.71 3.32 -1.40 -0.67 5.41 0.12 -2.88 119.36 120.54 3adn n ILE 250 Ca 0.01 -1.83 0.02 0.00 1.00 0.00 0.00 62.75 61.94 3adn n ILE 250 Cb 0.24 -2.11 0.20 0.00 -0.71 0.00 0.00 39.64 37.26 3adn n ILE 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3adn n GLN 251 N 2.64 1.82 0.22 0.38 10.64 -1.15 -4.45 117.38 127.48 3adn n GLN 251 Ca 0.51 -3.11 0.10 0.00 -1.83 0.00 0.00 57.00 52.67 3adn n GLN 251 Cb 0.75 -1.73 0.42 0.00 -0.86 0.00 0.00 30.24 28.83 3adn n GLN 251 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3adn h ALA 252 N 0.97 0.98 -0.20 2.61 0.00 -1.84 -3.39 119.26 118.39 3adn h ALA 252 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3adn h ALA 252 Cb 1.37 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3adn h ALA 252 CO 0.21 0.25 0.03 0.54 0.00 0.00 0.00 179.25 180.28 3adn n ARG 253 N -3.30 0.32 0.00 0.00 5.12 -1.26 -4.30 116.66 113.24 3adn n ARG 253 Ca 0.01 -1.26 0.00 0.00 -1.93 0.00 0.00 57.85 54.67 3adn n ARG 253 Cb 0.45 -3.78 0.00 0.00 -1.16 0.00 0.00 32.46 27.98 3adn n ARG 253 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3adn n PHE 254 N 19.18 0.00 0.00 -1.55 7.35 -1.26 -5.20 117.46 135.97 3adn n PHE 254 Ca 0.44 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.13 3adn n PHE 254 Cb 0.45 0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.28 3adn n PHE 254 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3adn n LEU 259 N 0.00 0.00 -4.09 -2.13 7.94 -1.26 -5.04 117.00 112.41 3adn n LEU 259 Ca 0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.55 3adn n LEU 259 Cb 0.04 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.86 3adn n LEU 259 CO 0.00 0.00 -0.20 -0.75 -1.11 0.00 0.00 177.39 175.33 3adn s LYS 260 N -0.36 1.91 0.59 1.96 2.47 -1.26 -5.06 119.74 119.98 3adn s LYS 260 Ca 0.00 -1.87 -0.04 0.00 -1.56 0.00 0.00 55.97 52.50 3adn s LYS 260 Cb 0.00 -3.50 0.03 0.00 -1.46 0.00 0.00 37.83 32.89 3adn s LYS 260 CO 0.00 -1.05 0.87 0.00 0.16 0.00 0.00 175.35 175.33 3adn n ARG 262 N -2.56 0.48 0.03 0.00 1.74 -1.26 -4.80 116.66 110.31 3adn n ARG 262 Ca 0.06 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3adn n ARG 262 Cb 0.59 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 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 -1.76 -0.34 -1.44 -1.55 9.36 -1.26 -5.07 117.16 115.09 3adn n TYR 263 Ca 0.01 0.06 -0.43 0.00 3.32 0.00 0.00 57.90 60.85 3adn n TYR 263 Cb 0.40 0.17 -0.01 0.00 -0.63 0.00 0.00 39.34 39.28 3adn n TYR 263 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 3adn n TYR 264 N -2.90 -0.47 -3.97 2.98 9.36 -1.26 -4.95 117.16 115.96 3adn n TYR 264 Ca 0.00 0.70 -0.09 0.00 3.32 0.00 0.00 57.90 61.82 3adn n TYR 264 Cb 0.00 -1.99 -0.05 0.00 -0.63 0.00 0.00 39.34 36.66 3adn n TYR 264 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 3adn s ASN 265 N -0.91 -0.08 0.26 2.98 0.01 -1.26 -4.65 114.94 111.28 3adn s ASN 265 Ca 0.62 -0.88 0.14 0.00 -0.71 0.00 0.00 52.86 52.03 3adn s ASN 265 Cb -0.69 0.56 0.14 0.00 0.41 0.00 0.00 41.25 41.67 3adn s ASN 265 CO 0.59 -1.08 1.47 -0.65 -1.51 0.00 0.00 177.10 175.92 3adn h PRO 266 N 2.30 0.00 0.00 -0.60 0.11 -1.95 -1.49 132.00 130.38 3adn h PRO 266 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 3adn h PRO 266 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3adn h PRO 266 CO 0.38 0.60 -0.00 0.00 -0.21 0.00 0.00 178.00 178.77 3adn h ALA 267 N 1.40 -0.00 -0.87 -0.75 0.00 -1.95 -2.68 119.26 114.40 3adn h ALA 267 Ca -0.01 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.74 3adn h ALA 267 Cb 1.36 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 3adn h ALA 267 CO 0.08 -0.25 0.53 0.82 0.00 0.00 0.00 179.25 180.43 3adn h ILE 268 N -0.49 0.99 -0.21 0.00 1.08 -1.92 -1.37 117.51 115.58 3adn h ILE 268 Ca -0.00 -0.32 0.05 0.00 -0.39 0.00 0.00 64.86 64.20 3adn h ILE 268 Cb 0.49 -0.02 -0.05 0.00 -3.07 0.00 0.00 36.82 34.17 3adn h ILE 268 CO 0.00 0.17 -0.09 -0.74 -0.69 0.00 0.00 178.15 176.80 3adn h HIS 269 N 0.93 -0.22 -0.30 1.37 2.76 -1.14 -0.76 115.15 117.79 3adn h HIS 269 Ca 0.40 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.51 3adn h HIS 269 Cb 0.26 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 3adn h HIS 269 CO -0.04 -0.15 -0.13 1.15 -1.30 0.00 0.00 177.93 177.47 3adn h THR 270 N -0.06 1.29 -0.35 6.26 2.02 -1.11 -3.24 112.91 117.71 3adn h THR 270 Ca 0.11 -1.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.02 3adn h THR 270 Cb 0.23 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3adn h THR 270 CO -0.25 0.39 0.01 0.00 0.37 0.00 0.00 175.52 176.04 3adn h ALA 271 N 0.76 1.38 -0.09 6.16 0.00 -1.05 -2.92 119.26 123.50 3adn h ALA 271 Ca 0.07 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3adn h ALA 271 Cb 0.65 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3adn h ALA 271 CO 0.04 0.44 0.31 0.00 0.00 0.00 0.00 179.25 180.03 3adn h ALA 272 N 1.50 1.48 -0.00 0.00 0.00 -1.17 0.66 119.26 121.73 3adn h ALA 272 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3adn h ALA 272 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3adn h ALA 272 CO 0.01 -0.35 -0.06 1.19 0.00 0.00 0.00 179.25 180.04 3adn n PHE 273 N -3.14 0.00 -2.65 0.00 3.72 -1.10 0.48 117.46 114.77 3adn n PHE 273 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3adn n PHE 273 Cb 0.38 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 3adn n PHE 273 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3adn s ALA 274 N -2.95 2.88 0.18 4.37 0.00 0.22 -4.87 121.76 121.58 3adn s ALA 274 Ca 0.15 -2.07 -0.30 0.00 0.00 0.00 0.00 51.96 49.74 3adn s ALA 274 Cb 0.19 -4.30 -0.07 0.00 0.00 0.00 0.00 23.12 18.93 3adn s ALA 274 CO 0.54 -3.33 0.98 -0.51 0.00 0.00 0.00 175.76 173.44 3adn s LEU 275 N 4.68 4.56 0.56 0.00 1.43 -1.26 -4.96 118.68 123.70 3adn s LEU 275 Ca 0.38 1.92 -0.21 0.00 -1.03 0.00 0.00 54.13 55.19 3adn s LEU 275 Cb -0.05 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 3adn s LEU 275 CO -0.01 0.00 1.31 -0.81 0.23 0.00 0.00 176.35 177.07 3adn n PRO 276 N 2.13 1.57 -0.37 1.29 -0.04 -1.26 -4.74 135.00 133.57 3adn n PRO 276 Ca 0.00 0.58 -0.00 0.00 -0.04 0.00 0.00 63.50 64.04 3adn n PRO 276 Cb 0.48 -2.53 0.05 0.00 -0.04 0.00 0.00 33.50 31.46 3adn n PRO 276 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3adn h GLN 277 N 1.27 -0.01 -0.94 0.54 5.75 -1.99 -1.82 115.11 117.91 3adn h GLN 277 Ca -0.50 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.14 3adn h GLN 277 Cb 1.31 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.79 3adn h GLN 277 CO 0.56 -0.01 0.60 0.10 -2.65 0.00 0.00 178.83 177.43 3adn h TYR 278 N -0.01 0.92 -0.47 3.99 -0.00 -2.00 0.51 116.97 119.91 3adn h TYR 278 Ca 0.36 0.03 -0.11 0.00 -0.00 0.00 0.00 58.73 59.00 3adn h TYR 278 Cb 0.61 -0.29 -0.02 0.00 -0.00 0.00 0.00 36.73 37.04 3adn h TYR 278 CO -0.85 0.32 -0.14 1.25 -0.00 0.00 0.00 178.16 178.75 3adn h LEU 279 N 0.76 0.89 -0.35 0.10 6.46 -1.68 -2.22 115.31 119.27 3adn h LEU 279 Ca 0.48 -0.29 -0.05 0.00 -0.12 0.00 0.00 57.88 57.90 3adn h LEU 279 Cb 0.71 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 3adn h LEU 279 CO -0.24 1.03 0.04 1.56 -0.62 0.00 0.00 178.44 180.21 3adn h GLN 280 N 0.79 0.59 -0.86 1.25 4.20 -0.85 -2.79 115.11 117.45 3adn h GLN 280 Ca 0.12 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3adn h GLN 280 Cb 0.67 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 3adn h GLN 280 CO 0.05 0.68 0.52 -0.44 -0.67 0.00 0.00 178.83 178.96 3adn h ASP 281 N 0.42 1.03 -0.01 1.46 3.32 -0.92 -1.30 116.42 120.42 3adn h ASP 281 Ca 0.10 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3adn h ASP 281 Cb 0.38 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3adn h ASP 281 CO 0.01 0.80 0.04 0.00 -1.72 0.00 0.00 179.24 178.36 3adn h ALA 282 N 1.28 1.21 -2.81 3.45 0.00 -1.14 -3.42 119.26 117.83 3adn h ALA 282 Ca 0.31 -0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.60 3adn h ALA 282 Cb -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3adn h ALA 282 CO -0.06 -0.04 -0.44 -0.51 0.00 0.00 0.00 179.25 178.20 3adn s LEU 283 N -6.61 4.35 0.00 0.00 1.43 -0.49 -4.89 118.68 112.47 3adn s LEU 283 Ca -0.05 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3adn s LEU 283 Cb 0.13 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.50 3adn s LEU 283 CO 0.44 0.20 0.00 0.00 0.23 0.00 0.00 176.35 177.22 3adn n ALA 284 N 0.63 0.00 -0.07 4.21 0.00 -1.26 -4.95 120.51 119.07 3adn n ALA 284 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 3adn n ALA 284 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 3adn n ALA 284 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3adn n SER 285 N 0.00 1.65 -0.31 0.00 3.41 -1.26 -5.16 113.62 111.94 3adn n SER 285 Ca 0.00 0.42 0.04 0.00 -0.26 0.00 0.00 58.87 59.07 3adn n SER 285 Cb 0.00 -0.76 0.03 0.00 -0.26 0.00 0.00 64.21 63.22 3adn n SER 285 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88