#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 3.49 0.01 1.08 -0.00 0.23 -4.88 118.94 118.88 3adn s TRP 7 Ca 0.00 1.45 -0.01 0.00 -0.00 0.00 0.00 56.10 57.55 3adn s TRP 7 Cb 0.00 -3.10 -0.04 0.00 -0.00 0.00 0.00 33.47 30.33 3adn s TRP 7 CO 0.00 -0.20 0.13 -1.01 -0.00 0.00 0.00 176.95 175.86 3adn s HIS 8 N 1.96 3.38 -0.20 5.86 3.76 -1.26 0.16 115.29 128.94 3adn s HIS 8 Ca 0.44 0.24 -0.17 0.00 -0.15 0.00 0.00 55.06 55.42 3adn s HIS 8 Cb -0.18 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 3adn s HIS 8 CO 0.16 0.58 0.43 -2.00 -0.85 0.00 0.00 174.74 173.06 3adn s GLU 9 N -1.98 4.19 -0.39 1.40 2.12 -0.55 -4.95 118.70 118.54 3adn s GLU 9 Ca 0.27 0.26 0.07 0.00 0.36 0.00 0.00 54.97 55.92 3adn s GLU 9 Cb -0.12 -3.54 0.66 0.00 0.26 0.00 0.00 34.13 31.39 3adn s GLU 9 CO 0.18 -0.05 1.81 2.41 -0.54 0.00 0.00 175.26 179.07 3adn n THR 10 N 4.34 3.01 -0.05 -1.70 -1.04 -0.34 -4.52 114.28 113.99 3adn n THR 10 Ca -0.07 -1.98 -0.13 0.00 -2.04 0.00 0.00 64.05 59.83 3adn n THR 10 Cb 0.51 -0.41 -0.07 0.00 -1.82 0.00 0.00 70.33 68.54 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 1.46 0.30 -9.93 -4.42 5.85 -1.89 -3.46 115.31 103.22 3adn h LEU 11 Ca 0.46 -0.44 -0.52 0.00 0.84 0.00 0.00 57.88 58.23 3adn h LEU 11 Cb 2.51 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 43.41 3adn h LEU 11 CO 0.88 0.67 -0.52 -1.00 -0.34 0.00 0.00 178.44 178.13 3adn s HIS 12 N -4.47 3.20 -0.47 1.25 3.76 -1.26 -5.07 115.29 112.23 3adn s HIS 12 Ca -0.14 -0.06 -0.20 0.00 -0.15 0.00 0.00 55.06 54.51 3adn s HIS 12 Cb 0.05 -1.47 0.04 0.00 1.11 0.00 0.00 32.58 32.30 3adn s HIS 12 CO 0.73 0.51 0.63 0.16 -0.85 0.00 0.00 174.74 175.92 3adn s ASP 13 N -3.64 6.27 0.00 1.40 3.84 -1.26 -4.23 116.67 119.04 3adn s ASP 13 Ca 0.33 -0.60 0.00 0.00 -0.00 0.00 0.00 52.55 52.28 3adn s ASP 13 Cb -0.09 -2.30 0.00 0.00 -1.38 0.00 0.00 42.92 39.15 3adn s ASP 13 CO 0.25 -0.82 0.00 0.00 -0.00 0.00 0.00 175.17 174.60 3adn n GLN 14 N 6.22 0.00 -3.72 2.11 1.13 -1.26 -5.03 117.38 116.83 3adn n GLN 14 Ca -0.04 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.00 3adn n GLN 14 Cb 0.47 -0.38 -0.01 0.00 0.11 0.00 0.00 30.24 30.43 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 -2.27 -0.11 -3.28 1.08 -0.71 -1.26 -5.18 117.98 106.26 3adn s PHE 15 Ca 0.00 -0.15 0.00 0.00 -1.04 0.00 0.00 56.93 55.74 3adn s PHE 15 Cb 0.00 0.62 0.00 0.00 -1.21 0.00 0.00 43.02 42.43 3adn s PHE 15 CO 0.00 -0.70 0.00 0.41 -1.34 0.00 0.00 175.22 173.59 3adn n GLY 16 N -0.48 -1.18 3.29 1.99 0.00 -1.26 -4.08 105.19 103.48 3adn n GLY 16 Ca -0.07 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.31 1.15 0.08 1.61 -2.07 -1.26 -5.01 119.66 112.85 3adn s GLN 17 Ca 0.00 -1.25 0.05 0.00 -1.82 0.00 0.00 55.36 52.34 3adn s GLN 17 Cb 0.00 -1.29 -0.03 0.00 -1.09 0.00 0.00 33.01 30.60 3adn s GLN 17 CO 0.00 0.28 -0.14 1.52 -1.32 0.00 0.00 175.29 175.63 3adn s TYR 18 N -1.59 1.28 -0.03 9.60 1.13 -1.26 -1.48 117.35 125.00 3adn s TYR 18 Ca 0.10 -0.49 0.03 0.00 -1.41 0.00 0.00 57.07 55.30 3adn s TYR 18 Cb -0.08 -0.71 0.00 0.00 -1.10 0.00 0.00 41.96 40.08 3adn s TYR 18 CO 0.05 0.08 -0.11 -0.06 -2.51 0.00 0.00 175.55 173.00 3adn s PHE 19 N -1.50 1.11 -0.15 -3.49 0.08 0.12 -4.91 117.98 109.25 3adn s PHE 19 Ca 0.01 -0.29 -0.29 0.00 0.12 0.00 0.00 56.93 56.48 3adn s PHE 19 Cb -0.09 -0.78 -0.01 0.00 -0.57 0.00 0.00 43.02 41.57 3adn s PHE 19 CO 0.02 -0.11 1.17 0.00 -0.10 0.00 0.00 175.22 176.20 3adn s ALA 20 N 0.16 3.60 -0.06 5.36 0.00 -1.26 0.77 121.76 130.32 3adn s ALA 20 Ca -0.03 0.42 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 3adn s ALA 20 Cb -0.09 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 3adn s ALA 20 CO 0.01 -0.98 0.95 0.08 0.00 0.00 0.00 175.76 175.82 3adn s VAL 21 N 2.95 4.85 -0.07 0.00 1.01 -1.26 -4.52 120.40 123.37 3adn s VAL 21 Ca 0.52 1.96 0.11 0.00 0.00 0.00 0.00 61.98 64.57 3adn s VAL 21 Cb -0.20 -4.28 -0.16 0.00 0.00 0.00 0.00 36.38 31.74 3adn s VAL 21 CO 0.15 0.10 0.15 0.47 0.00 0.00 0.00 175.10 175.96 3adn n ASP 22 N 4.44 2.21 -3.25 3.32 8.00 -1.13 -4.99 116.55 125.15 3adn n ASP 22 Ca 0.06 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.60 3adn n ASP 22 Cb 0.50 1.16 -0.03 0.00 -0.02 0.00 0.00 41.12 42.73 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 -3.91 -0.39 0.13 -2.24 3.84 -1.26 -5.00 114.94 106.11 3adn s ASN 23 Ca -0.05 0.41 -0.30 0.00 0.21 0.00 0.00 52.86 53.14 3adn s ASN 23 Cb 0.06 1.40 -0.06 0.00 -0.55 0.00 0.00 41.25 42.09 3adn s ASN 23 CO 0.48 -0.07 0.94 -0.69 -2.79 0.00 0.00 177.10 174.97 3adn s VAL 24 N 2.54 4.45 -0.12 -5.21 1.01 -1.26 -1.82 120.40 119.98 3adn s VAL 24 Ca -0.01 2.05 0.16 0.00 0.00 0.00 0.00 61.98 64.17 3adn s VAL 24 Cb -0.06 -4.31 -0.23 0.00 0.00 0.00 0.00 36.38 31.77 3adn s VAL 24 CO -0.15 0.35 0.17 0.18 0.00 0.00 0.00 175.10 175.65 3adn n LEU 25 N 2.60 0.00 -3.78 3.92 7.99 -0.12 -4.96 117.00 122.64 3adn n LEU 25 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.92 3adn n LEU 25 Cb 0.49 0.29 -0.04 0.00 -0.11 0.00 0.00 43.42 44.05 3adn n LEU 25 CO 0.51 0.29 0.20 -0.47 -1.51 0.00 0.00 177.39 176.41 3adn s TYR 26 N -2.68 -0.01 0.00 -1.77 5.04 -1.16 -4.96 117.35 111.82 3adn s TYR 26 Ca -0.08 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.21 3adn s TYR 26 Cb 0.07 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.67 3adn s TYR 26 CO 0.72 -0.86 0.00 1.58 -1.34 0.00 0.00 175.55 175.65 3adn n HIS 27 N -0.31 0.00 0.00 4.97 -0.00 -1.25 -2.75 115.22 115.88 3adn n HIS 27 Ca -0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.08 3adn n HIS 27 Cb 0.63 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.50 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 -0.20 1.57 -0.00 -1.12 -5.04 120.64 115.84 3adn n GLU 28 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.16 57.21 3adn n GLU 28 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 31.44 31.54 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 -2.42 3.44 1.13 -1.26 -4.09 117.38 114.13 3adn n GLN 33 Ca 0.00 0.87 -0.03 0.00 -1.94 0.00 0.00 57.00 55.90 3adn n GLN 33 Cb 0.00 -1.33 0.06 0.00 0.11 0.00 0.00 30.24 29.08 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 -4.87 -1.17 -4.65 1.08 4.64 -1.26 -4.95 116.55 105.38 3adn n ASP 34 Ca 0.10 -1.86 -0.43 0.00 -1.38 0.00 0.00 54.79 51.22 3adn n ASP 34 Cb 0.32 0.71 -0.02 0.00 -1.04 0.00 0.00 41.12 41.09 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 -2.48 4.06 0.01 -2.67 0.20 -1.26 -3.13 118.68 113.42 3adn s LEU 35 Ca 0.09 1.53 0.08 0.00 0.69 0.00 0.00 54.13 56.51 3adn s LEU 35 Cb 0.24 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.43 3adn s LEU 35 CO -0.06 -0.90 -0.23 -0.51 -0.29 0.00 0.00 176.35 174.36 3adn s ILE 36 N 3.90 1.87 -0.45 6.68 1.10 -0.23 -2.80 121.20 131.26 3adn s ILE 36 Ca 0.56 -1.15 0.03 0.00 -0.51 0.00 0.00 60.65 59.59 3adn s ILE 36 Cb -0.20 -1.58 0.16 0.00 0.15 0.00 0.00 42.46 40.99 3adn s ILE 36 CO 0.18 0.40 0.33 -0.63 -2.11 0.00 0.00 174.94 173.11 3adn s ILE 37 N -0.67 0.89 0.16 2.00 1.01 -1.11 -1.24 121.20 122.24 3adn s ILE 37 Ca 0.09 -2.76 0.01 0.00 0.00 0.00 0.00 60.65 58.00 3adn s ILE 37 Cb -0.09 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.79 3adn s ILE 37 CO 0.01 -1.11 0.22 2.22 0.00 0.00 0.00 174.94 176.28 3adn n PHE 38 N 2.99 -3.00 -4.43 3.97 -1.74 -1.24 -0.95 117.46 113.06 3adn n PHE 38 Ca 0.22 -0.50 -0.23 0.00 -0.56 0.00 0.00 57.45 56.38 3adn n PHE 38 Cb 0.42 -0.16 -0.10 0.00 1.52 0.00 0.00 39.48 41.16 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 -2.83 1.57 0.01 3.97 2.02 -0.76 -0.92 118.70 121.77 3adn s GLU 39 Ca 0.16 -1.69 -0.02 0.00 0.02 0.00 0.00 54.97 53.45 3adn s GLU 39 Cb -0.01 -1.64 -0.01 0.00 0.10 0.00 0.00 34.13 32.57 3adn s GLU 39 CO 0.10 0.31 0.01 1.21 0.02 0.00 0.00 175.26 176.92 3adn s ASN 40 N -3.32 0.17 0.34 -0.19 3.84 -0.49 -2.83 114.94 112.45 3adn s ASN 40 Ca 0.27 -0.38 0.04 0.00 0.21 0.00 0.00 52.86 53.00 3adn s ASN 40 Cb -0.05 0.12 0.67 0.00 -0.55 0.00 0.00 41.25 41.44 3adn s ASN 40 CO 0.12 -0.28 1.94 0.00 -2.79 0.00 0.00 177.10 176.09 3adn h ALA 41 N 4.73 1.64 0.00 1.71 0.00 -1.89 -1.02 119.26 124.43 3adn h ALA 41 Ca -0.31 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.25 3adn h ALA 41 Cb 1.21 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3adn h ALA 41 CO 0.42 0.24 -2.24 0.00 0.00 0.00 0.00 179.25 177.67 3adn n ALA 42 N -2.43 1.54 1.02 0.00 0.00 -1.26 -4.67 120.51 114.71 3adn n ALA 42 Ca 0.12 -1.04 0.11 0.00 0.00 0.00 0.00 53.44 52.63 3adn n ALA 42 Cb 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.93 0.00 -4.61 0.00 3.72 -1.24 -4.85 117.46 107.54 3adn n PHE 43 Ca -0.35 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 3adn n PHE 43 Cb 0.98 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 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 1.45 0.86 3.68 1.37 0.00 -0.39 -3.07 105.19 109.08 3adn n GLY 44 Ca 0.07 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.90 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 3.41 2.08 -3.78 1.61 3.00 -1.26 -1.40 116.66 120.32 3adn n ARG 45 Ca 0.00 0.74 -0.30 0.00 -0.01 0.00 0.00 57.85 58.28 3adn n ARG 45 Cb 0.00 -2.40 -0.14 0.00 0.00 0.00 0.00 32.46 29.93 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 -0.13 1.61 0.09 1.55 1.01 -0.09 -2.87 120.40 121.56 3adn s VAL 46 Ca 0.67 -2.54 -0.31 0.00 0.00 0.00 0.00 61.98 59.80 3adn s VAL 46 Cb -0.63 -2.14 -0.07 0.00 0.00 0.00 0.00 36.38 33.54 3adn s VAL 46 CO 0.51 -0.83 1.33 -0.32 0.00 0.00 0.00 175.10 175.79 3adn s MET 47 N 0.42 4.35 -0.09 2.72 1.75 -1.17 -3.59 119.30 123.69 3adn s MET 47 Ca 0.16 1.98 -0.05 0.00 -1.25 0.00 0.00 55.69 56.53 3adn s MET 47 Cb -0.24 -3.29 0.04 0.00 2.84 0.00 0.00 34.83 34.18 3adn s MET 47 CO -0.03 -0.39 0.21 0.00 -0.65 0.00 0.00 175.02 174.16 3adn s ALA 48 N 1.15 -0.46 -0.15 4.11 0.00 -0.37 -0.59 121.76 125.43 3adn s ALA 48 Ca 0.63 0.78 0.02 0.00 0.00 0.00 0.00 51.96 53.39 3adn s ALA 48 Cb -0.34 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.30 3adn s ALA 48 CO 0.30 -0.15 -0.21 -1.17 0.00 0.00 0.00 175.76 174.52 3adn s LEU 49 N 0.86 2.12 -1.44 0.00 2.96 -0.77 -1.06 118.68 121.35 3adn s LEU 49 Ca -0.06 -0.62 -0.09 0.00 -0.22 0.00 0.00 54.13 53.14 3adn s LEU 49 Cb -0.08 -1.46 0.05 0.00 0.50 0.00 0.00 46.19 45.21 3adn s LEU 49 CO -0.05 0.06 0.71 0.47 -1.32 0.00 0.00 176.35 176.22 3adn n ASP 50 N 4.24 -4.91 0.00 3.68 8.00 -1.18 -2.13 116.55 124.24 3adn n ASP 50 Ca -0.20 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 54.82 3adn n ASP 50 Cb 0.51 -3.97 0.00 0.00 -0.02 0.00 0.00 41.12 37.64 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 -1.48 3.28 3.65 0.44 0.00 -1.26 -4.85 105.19 104.97 3adn n GLY 51 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.45 5.34 0.13 1.61 0.11 -0.91 -1.19 120.40 123.04 3adn s VAL 52 Ca 0.00 0.21 -0.34 0.00 -2.93 0.00 0.00 61.98 58.92 3adn s VAL 52 Cb 0.00 -3.52 -0.14 0.00 -1.53 0.00 0.00 36.38 31.19 3adn s VAL 52 CO 0.00 0.32 1.61 0.52 -3.33 0.00 0.00 175.10 174.22 3adn n VAL 53 N 4.43 0.07 -0.11 2.04 0.31 -1.26 -1.84 118.33 121.97 3adn n VAL 53 Ca -0.14 -0.01 -0.20 0.00 -0.01 0.00 0.00 64.34 63.97 3adn n VAL 53 Cb 0.52 -1.57 -0.09 0.00 -0.91 0.00 0.00 33.84 31.79 3adn n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3adn n GLN 54 N 3.81 0.55 -3.34 5.55 1.13 0.24 -4.89 117.38 120.42 3adn n GLN 54 Ca 0.18 0.49 -0.09 0.00 -1.94 0.00 0.00 57.00 55.63 3adn n GLN 54 Cb 0.29 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 28.97 3adn n GLN 54 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3adn n THR 55 N -4.43 0.00 -3.68 5.09 -2.24 -1.13 -5.04 114.28 102.86 3adn n THR 55 Ca -0.32 -1.05 -0.14 0.00 -2.27 0.00 0.00 64.05 60.27 3adn n THR 55 Cb 0.65 0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 69.63 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 -2.46 0.00 0.20 4.28 2.01 -1.26 -3.06 115.64 115.36 3adn s THR 56 Ca 0.17 -0.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 3adn s THR 56 Cb -0.03 -0.78 -0.06 0.00 0.01 0.00 0.00 72.50 71.65 3adn s THR 56 CO 0.12 -0.01 1.51 1.05 -0.69 0.00 0.00 174.62 176.60 3adn h GLU 57 N 5.05 0.42 -0.93 4.92 4.11 -1.59 0.19 114.58 126.76 3adn h GLU 57 Ca -0.28 -0.29 -0.28 0.00 0.07 0.00 0.00 59.36 58.58 3adn h GLU 57 Cb 1.17 0.04 -0.17 0.00 0.50 0.00 0.00 28.75 30.29 3adn h GLU 57 CO 0.18 0.90 0.36 -2.13 0.07 0.00 0.00 179.01 178.39 3adn n ARG 58 N -3.91 2.37 0.00 1.06 0.63 -1.18 -4.29 116.66 111.35 3adn n ARG 58 Ca -0.03 -2.19 0.00 0.00 -0.92 0.00 0.00 57.85 54.71 3adn n ARG 58 Cb 0.63 -1.90 0.00 0.00 0.45 0.00 0.00 32.46 31.64 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 -0.41 0.00 0.23 6.15 2.03 -1.14 -4.93 116.55 118.49 3adn n ASP 59 Ca 0.37 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.79 3adn n ASP 59 Cb 1.25 0.00 0.55 0.00 -0.72 0.00 0.00 41.12 42.20 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 -0.63 -0.67 9.09 -0.81 -2.50 114.58 119.07 3adn h GLU 60 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 3adn h GLU 60 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 3adn h GLU 60 CO 0.00 0.00 0.11 0.27 0.05 0.00 0.00 179.01 179.44 3adn h PHE 61 N 0.00 1.10 0.07 2.06 -0.00 -1.84 -0.18 116.94 118.15 3adn h PHE 61 Ca 0.00 -0.15 -0.00 0.00 -0.00 0.00 0.00 57.97 57.82 3adn h PHE 61 Cb 0.57 -0.30 -0.00 0.00 -0.00 0.00 0.00 35.95 36.21 3adn h PHE 61 CO 0.00 0.93 -0.04 0.82 -0.00 0.00 0.00 178.31 180.02 3adn h ILE 62 N 0.95 0.91 -0.31 0.88 2.04 -1.85 0.61 117.51 120.73 3adn h ILE 62 Ca 0.19 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.06 3adn h ILE 62 Cb 0.42 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3adn h ILE 62 CO 0.01 0.00 0.19 0.22 0.00 0.00 0.00 178.15 178.57 3adn h TYR 63 N -0.11 0.37 0.01 1.37 3.20 -1.65 -2.51 116.97 117.64 3adn h TYR 63 Ca -0.00 0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.66 3adn h TYR 63 Cb 0.09 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 3adn h TYR 63 CO -0.08 0.22 -1.04 0.45 -1.64 0.00 0.00 178.16 176.07 3adn h HIS 64 N 0.40 0.04 0.70 -3.82 3.86 -0.86 -2.49 115.15 112.97 3adn h HIS 64 Ca 0.12 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 3adn h HIS 64 Cb -0.03 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.45 3adn h HIS 64 CO -0.06 1.02 -0.34 0.93 0.86 0.00 0.00 177.93 180.34 3adn h GLU 65 N 0.01 -0.91 -0.36 2.45 5.08 0.25 -2.57 114.58 118.53 3adn h GLU 65 Ca -0.03 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 3adn h GLU 65 Cb 1.79 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 31.23 3adn h GLU 65 CO 0.13 -0.60 0.26 0.52 -1.00 0.00 0.00 179.01 178.32 3adn h MET 66 N -1.12 0.05 0.00 2.33 2.86 -1.57 -0.15 114.93 117.32 3adn h MET 66 Ca -0.10 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3adn h MET 66 Cb 0.72 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.37 3adn h MET 66 CO 0.16 0.03 -0.28 1.98 1.06 0.00 0.00 176.91 179.86 3adn h MET 67 N 0.05 0.00 0.00 1.72 1.85 -1.44 -3.33 114.93 113.77 3adn h MET 67 Ca 0.17 0.00 -0.29 0.00 -0.61 0.00 0.00 59.70 58.97 3adn h MET 67 Cb 0.62 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.60 3adn h MET 67 CO -0.01 0.00 -2.00 -2.37 -0.40 0.00 0.00 176.91 172.13 3adn n THR 68 N -2.62 0.99 0.05 -0.77 5.66 -0.58 -4.66 114.28 112.35 3adn n THR 68 Ca 0.04 -0.30 -0.10 0.00 -3.05 0.00 0.00 64.05 60.64 3adn n THR 68 Cb 0.49 -1.51 0.03 0.00 -1.55 0.00 0.00 70.33 67.78 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 -0.42 0.57 0.09 1.09 -0.00 -1.28 -2.52 115.15 112.68 3adn h HIS 69 Ca -0.43 -0.25 0.02 0.00 -0.00 0.00 0.00 60.37 59.71 3adn h HIS 69 Cb 1.47 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 28.76 3adn h HIS 69 CO -0.03 1.00 -0.21 0.28 -0.00 0.00 0.00 177.93 178.97 3adn h VAL 70 N 0.30 0.52 -0.42 2.45 2.07 -1.75 0.45 116.25 119.87 3adn h VAL 70 Ca -0.03 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 3adn h VAL 70 Cb 1.28 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3adn h VAL 70 CO 0.12 0.00 0.04 -0.65 0.02 0.00 0.00 177.57 177.10 3adn h PRO 71 N -0.38 0.72 -0.72 1.57 0.11 -1.83 -0.70 132.00 130.78 3adn h PRO 71 Ca 0.03 -0.21 -0.07 0.00 0.11 0.00 0.00 66.00 65.87 3adn h PRO 71 Cb 0.42 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 3adn h PRO 71 CO -0.13 0.78 0.19 -0.07 -0.21 0.00 0.00 178.00 178.56 3adn h LEU 72 N 0.57 1.08 0.00 2.35 4.07 -1.12 -0.13 115.31 122.14 3adn h LEU 72 Ca 0.12 -0.22 -0.20 0.00 0.08 0.00 0.00 57.88 57.66 3adn h LEU 72 Cb 0.43 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 3adn h LEU 72 CO 0.01 1.02 -1.00 -0.07 -1.08 0.00 0.00 178.44 177.33 3adn h LEU 73 N 1.09 0.00 0.23 1.67 4.07 -0.11 -3.33 115.31 118.93 3adn h LEU 73 Ca 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 3adn h LEU 73 Cb 0.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.09 3adn h LEU 73 CO -0.00 0.88 -0.13 0.00 -1.08 0.00 0.00 178.44 178.11 3adn h ALA 74 N 1.12 -1.03 -2.11 1.53 0.00 -0.89 -3.34 119.26 114.53 3adn h ALA 74 Ca -0.05 -0.07 -0.56 0.00 0.00 0.00 0.00 54.91 54.23 3adn h ALA 74 Cb 1.71 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 3adn h ALA 74 CO 0.11 -1.02 1.30 -1.58 0.00 0.00 0.00 179.25 178.06 3adn s HIS 75 N -3.76 1.48 0.37 0.00 5.65 -0.08 -4.86 115.29 114.09 3adn s HIS 75 Ca -0.05 0.23 0.07 0.00 0.25 0.00 0.00 55.06 55.56 3adn s HIS 75 Cb 0.01 -4.05 0.71 0.00 -1.18 0.00 0.00 32.58 28.06 3adn s HIS 75 CO 0.16 -4.20 1.91 0.78 -0.65 0.00 0.00 174.74 172.73 3adn h GLY 76 N 12.68 0.42 -6.37 1.59 0.00 -1.76 -3.38 103.07 106.25 3adn h GLY 76 Ca -0.41 -0.24 -0.59 0.00 0.00 0.00 0.00 47.33 46.08 3adn h GLY 76 CO 0.97 0.23 -0.88 1.42 0.00 0.00 0.00 176.54 178.27 3adn n HIS 77 N -4.29 0.67 -2.96 5.60 -0.00 -1.26 -4.96 115.22 108.03 3adn n HIS 77 Ca 0.00 -3.69 -0.42 0.00 -0.00 0.00 0.00 57.72 53.61 3adn n HIS 77 Cb 0.24 -0.20 -0.05 0.00 -0.00 0.00 0.00 29.99 29.99 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 -0.95 3.45 -0.20 -1.41 0.00 -1.26 -4.92 121.76 116.46 3adn s ALA 78 Ca 0.33 -0.61 -0.13 0.00 0.00 0.00 0.00 51.96 51.55 3adn s ALA 78 Cb 0.08 -3.35 -0.20 0.00 0.00 0.00 0.00 23.12 19.66 3adn s ALA 78 CO -0.14 -1.42 0.09 1.63 0.00 0.00 0.00 175.76 175.92 3adn n LYS 79 N 6.37 0.64 -3.98 0.00 5.02 -1.26 -4.13 118.16 120.81 3adn n LYS 79 Ca 0.03 0.37 -0.34 0.00 -2.02 0.00 0.00 58.31 56.35 3adn n LYS 79 Cb 0.48 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.69 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 -2.47 3.26 -0.02 2.13 3.76 -1.26 -1.52 115.29 119.17 3adn s HIS 80 Ca -0.30 -2.07 -0.10 0.00 -0.15 0.00 0.00 55.06 52.45 3adn s HIS 80 Cb 0.08 -2.03 -0.05 0.00 1.11 0.00 0.00 32.58 31.70 3adn s HIS 80 CO 0.63 -0.84 0.30 0.08 -0.85 0.00 0.00 174.74 174.06 3adn s VAL 81 N 1.19 5.24 -0.01 -0.90 1.01 -0.92 0.53 120.40 126.53 3adn s VAL 81 Ca -0.07 0.44 0.07 0.00 0.00 0.00 0.00 61.98 62.42 3adn s VAL 81 Cb -0.20 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3adn s VAL 81 CO -0.03 0.49 -0.23 -0.22 0.00 0.00 0.00 175.10 175.11 3adn s LEU 82 N -1.36 2.06 -0.19 3.92 1.98 0.30 -2.15 118.68 123.24 3adn s LEU 82 Ca 0.24 -0.44 -0.00 0.00 -2.89 0.00 0.00 54.13 51.03 3adn s LEU 82 Cb -0.14 -1.20 0.05 0.00 0.66 0.00 0.00 46.19 45.56 3adn s LEU 82 CO 0.12 0.28 -0.05 -0.63 -1.89 0.00 0.00 176.35 174.18 3adn s ILE 83 N -0.58 1.23 -0.31 6.68 1.01 0.18 -0.91 121.20 128.49 3adn s ILE 83 Ca 0.09 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 59.74 3adn s ILE 83 Cb -0.09 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 3adn s ILE 83 CO -0.01 0.06 0.61 -0.63 0.00 0.00 0.00 174.94 174.97 3adn s ILE 84 N 1.57 4.95 0.00 2.92 -1.09 0.69 -0.92 121.20 129.32 3adn s ILE 84 Ca -0.01 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 3adn s ILE 84 Cb -0.16 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 3adn s ILE 84 CO -0.07 -0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.11 3adn n GLY 85 N 4.48 -1.58 2.03 6.18 0.00 -0.60 -3.07 105.19 112.63 3adn n GLY 85 Ca -0.02 -1.41 -0.02 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.21 0.21 -0.02 0.00 -1.26 -4.78 105.19 99.13 3adn n GLY 86 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.08 0.00 2.00 -0.02 0.00 -1.96 -2.80 103.07 100.21 3adn h GLY 87 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3adn h GLY 87 CO 0.12 0.00 0.00 1.29 0.00 0.00 0.00 176.54 177.95 3adn h ASP 88 N 0.00 0.00 -0.25 0.19 2.03 -1.90 -3.38 116.42 113.11 3adn h ASP 88 Ca -0.00 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.19 3adn h ASP 88 Cb 0.73 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.18 3adn h ASP 88 CO 0.04 0.00 -0.10 0.61 -1.03 0.00 0.00 179.24 178.76 3adn n GLY 89 N -0.21 0.70 0.14 7.15 0.00 -1.06 -3.37 105.19 108.55 3adn n GLY 89 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.89 0.72 4.61 0.00 -1.83 -1.64 119.26 122.00 3adn h ALA 90 Ca -0.11 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 3adn h ALA 90 Cb 0.67 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.37 3adn h ALA 90 CO 0.16 0.73 -0.34 1.98 0.00 0.00 0.00 179.25 181.78 3adn h MET 91 N 0.00 -0.93 -0.91 0.00 -1.53 -1.88 -2.60 114.93 107.08 3adn h MET 91 Ca -0.01 0.06 0.20 0.00 -3.44 0.00 0.00 59.70 56.51 3adn h MET 91 Cb 1.13 0.21 -0.11 0.00 -0.55 0.00 0.00 31.60 32.28 3adn h MET 91 CO 0.08 -0.60 0.47 1.25 0.14 0.00 0.00 176.91 178.25 3adn h LEU 92 N -1.04 0.51 -0.57 3.39 5.85 -1.88 -0.37 115.31 121.19 3adn h LEU 92 Ca -0.10 0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.86 3adn h LEU 92 Cb 0.76 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.74 3adn h LEU 92 CO 0.16 0.12 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.29 3adn h ARG 93 N 0.55 0.11 -0.02 1.25 2.43 -0.92 -1.50 114.38 116.26 3adn h ARG 93 Ca 0.54 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.62 3adn h ARG 93 Cb 0.93 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.47 3adn h ARG 93 CO -0.45 0.07 -0.34 0.93 -1.51 0.00 0.00 179.97 178.67 3adn h GLU 94 N 0.11 0.28 -0.61 0.20 4.39 -0.84 -3.04 114.58 115.07 3adn h GLU 94 Ca 0.29 -0.26 0.11 0.00 0.34 0.00 0.00 59.36 59.84 3adn h GLU 94 Cb 0.46 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.09 3adn h GLU 94 CO -0.49 0.95 0.13 0.28 -1.16 0.00 0.00 179.01 178.71 3adn h VAL 95 N -0.30 0.63 -0.79 3.13 2.07 -1.14 0.11 116.25 119.96 3adn h VAL 95 Ca -0.04 -0.09 0.15 0.00 0.82 0.00 0.00 66.70 67.54 3adn h VAL 95 Cb 1.05 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3adn h VAL 95 CO 0.07 0.05 0.52 0.74 0.02 0.00 0.00 177.57 178.97 3adn h THR 96 N 0.26 0.81 0.00 2.57 2.02 -1.33 -0.17 112.91 117.07 3adn h THR 96 Ca 0.32 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.33 3adn h THR 96 Cb 0.48 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3adn h THR 96 CO -0.41 0.09 0.00 -1.14 0.37 0.00 0.00 175.52 174.43 3adn n ARG 97 N -4.50 0.10 -3.26 6.66 0.63 0.37 -4.31 116.66 112.36 3adn n ARG 97 Ca 0.15 0.20 -0.45 0.00 -0.92 0.00 0.00 57.85 56.83 3adn n ARG 97 Cb 0.51 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.86 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 -2.52 3.16 0.05 -0.14 3.76 -0.08 -4.96 115.29 114.56 3adn s HIS 98 Ca 0.06 -1.05 -0.14 0.00 -0.15 0.00 0.00 55.06 53.78 3adn s HIS 98 Cb 0.04 -3.70 -0.05 0.00 1.11 0.00 0.00 32.58 29.98 3adn s HIS 98 CO 0.10 -1.05 1.23 0.87 -0.85 0.00 0.00 174.74 175.04 3adn h LYS 99 N 8.95 -0.23 0.00 1.40 1.57 -1.85 -2.21 116.57 124.20 3adn h LYS 99 Ca -0.29 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3adn h LYS 99 Cb 1.10 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3adn h LYS 99 CO 1.02 -0.15 0.57 -0.91 -0.57 0.00 0.00 179.45 179.40 3adn h ASN 100 N -0.24 0.00 -3.07 0.86 4.21 -1.94 -3.40 115.58 112.00 3adn h ASN 100 Ca 0.02 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.99 3adn h ASN 100 Cb 0.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 3adn h ASN 100 CO -0.20 0.00 0.68 -0.69 -1.29 0.00 0.00 177.43 175.93 3adn s VAL 101 N -3.57 3.89 -0.05 2.81 1.01 -0.84 -4.68 120.40 118.98 3adn s VAL 101 Ca -0.01 1.32 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 32.44 3adn s VAL 101 CO 0.10 0.06 0.13 -1.84 0.00 0.00 0.00 175.10 173.55 3adn n GLU 102 N 4.52 1.28 -4.86 2.72 0.28 -0.57 -5.00 120.64 119.00 3adn n GLU 102 Ca 0.11 -0.05 -0.27 0.00 -0.16 0.00 0.00 57.16 56.79 3adn n GLU 102 Cb 0.45 -1.23 -0.15 0.00 1.43 0.00 0.00 31.44 31.94 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 -3.53 2.47 -0.09 -1.84 0.15 -0.89 -4.70 113.70 105.27 3adn s SER 103 Ca -0.04 -0.44 -0.05 0.00 0.70 0.00 0.00 55.95 56.12 3adn s SER 103 Cb 0.05 -0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.15 3adn s SER 103 CO 0.38 0.22 0.22 -0.63 1.20 0.00 0.00 173.24 174.63 3adn s ILE 104 N -0.62 -0.03 -0.02 6.45 1.01 -1.20 -2.17 121.20 124.61 3adn s ILE 104 Ca 0.08 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.87 3adn s ILE 104 Cb -0.08 -0.33 0.01 0.00 0.01 0.00 0.00 42.46 42.06 3adn s ILE 104 CO 0.00 0.05 -0.04 -0.89 0.00 0.00 0.00 174.94 174.06 3adn s THR 105 N 1.00 0.43 -0.32 2.92 2.01 -0.91 -1.98 115.64 118.79 3adn s THR 105 Ca -0.07 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 61.80 3adn s THR 105 Cb -0.09 -0.42 0.09 0.00 0.01 0.00 0.00 72.50 72.10 3adn s THR 105 CO -0.06 0.16 0.03 -0.32 -0.69 0.00 0.00 174.62 173.74 3adn s MET 106 N 0.36 1.50 -0.12 4.92 1.75 -0.76 0.47 119.30 127.42 3adn s MET 106 Ca -0.04 -1.66 -0.27 0.00 -1.25 0.00 0.00 55.69 52.47 3adn s MET 106 Cb -0.08 -2.99 -0.02 0.00 2.84 0.00 0.00 34.83 34.58 3adn s MET 106 CO -0.00 -0.88 0.88 0.08 -0.65 0.00 0.00 175.02 174.45 3adn s VAL 107 N 1.04 4.87 -0.01 10.11 1.01 -0.10 -1.93 120.40 135.40 3adn s VAL 107 Ca 0.07 1.76 0.01 0.00 0.00 0.00 0.00 61.98 63.83 3adn s VAL 107 Cb -0.19 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.00 3adn s VAL 107 CO -0.10 0.06 -0.02 -0.70 0.00 0.00 0.00 175.10 174.34 3adn s GLU 108 N 1.82 0.24 -0.07 2.72 2.56 -0.41 -1.55 118.70 124.00 3adn s GLU 108 Ca 0.42 -0.08 -0.19 0.00 0.00 0.00 0.00 54.97 55.12 3adn s GLU 108 Cb -0.18 -0.25 -0.29 0.00 2.00 0.00 0.00 34.13 35.41 3adn s GLU 108 CO 0.16 0.04 0.74 0.97 -0.56 0.00 0.00 175.26 176.61 3adn h ILE 109 N 5.21 1.30 -1.56 -3.70 6.09 -1.83 -2.77 117.51 120.24 3adn h ILE 109 Ca -0.28 -2.47 -0.64 0.00 -1.37 0.00 0.00 64.86 60.10 3adn h ILE 109 Cb 1.19 2.98 -0.13 0.00 0.47 0.00 0.00 36.82 41.33 3adn h ILE 109 CO 0.50 0.70 1.31 -1.81 -3.07 0.00 0.00 178.15 175.78 3adn s ASP 110 N -6.99 6.57 0.66 2.19 1.01 -1.26 -4.82 116.67 114.03 3adn s ASP 110 Ca -0.17 -1.74 0.36 0.00 0.71 0.00 0.00 52.55 51.72 3adn s ASP 110 Cb 0.02 -2.51 1.98 0.00 1.01 0.00 0.00 42.92 43.42 3adn s ASP 110 CO 0.80 -1.32 2.13 0.00 0.21 0.00 0.00 175.17 176.99 3adn h ALA 111 N 9.30 1.26 0.12 5.23 0.00 -1.99 -2.51 119.26 130.67 3adn h ALA 111 Ca 0.20 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.76 3adn h ALA 111 Cb 1.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3adn h ALA 111 CO 1.32 -0.19 -1.86 0.78 0.00 0.00 0.00 179.25 179.30 3adn h GLY 112 N 0.00 0.29 2.00 0.00 0.00 -1.99 -3.38 103.07 100.00 3adn h GLY 112 Ca 0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 3adn h GLY 112 CO -0.00 0.65 -0.06 -0.24 0.00 0.00 0.00 176.54 176.89 3adn h VAL 113 N 0.07 0.69 0.00 4.60 3.04 -1.85 -1.93 116.25 120.87 3adn h VAL 113 Ca -0.37 -0.26 -0.08 0.00 -1.01 0.00 0.00 66.70 64.98 3adn h VAL 113 Cb 2.04 1.16 -0.01 0.00 -2.01 0.00 0.00 31.29 32.47 3adn h VAL 113 CO 0.11 0.06 -0.39 -0.37 -1.01 0.00 0.00 177.57 175.98 3adn h VAL 114 N 0.00 1.20 0.11 1.51 -1.51 -1.73 -1.82 116.25 114.01 3adn h VAL 114 Ca -0.00 -1.36 -0.35 0.00 -1.23 0.00 0.00 66.70 63.76 3adn h VAL 114 Cb 0.15 1.75 -0.02 0.00 -2.13 0.00 0.00 31.29 31.04 3adn h VAL 114 CO 0.01 0.38 -1.94 0.77 -1.23 0.00 0.00 177.57 175.56 3adn h SER 115 N 0.00 0.38 -0.24 4.19 4.64 -1.61 -2.94 113.55 117.97 3adn h SER 115 Ca -0.00 -0.83 0.00 0.00 -0.47 0.00 0.00 61.79 60.49 3adn h SER 115 Cb 0.72 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3adn h SER 115 CO 0.05 1.74 0.15 -0.26 -0.87 0.00 0.00 176.83 177.64 3adn h PHE 116 N 0.07 0.30 0.00 4.77 0.04 -1.36 -0.21 116.94 120.54 3adn h PHE 116 Ca -0.40 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.31 3adn h PHE 116 Cb 2.04 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 40.08 3adn h PHE 116 CO 0.07 0.21 -0.31 0.00 -0.60 0.00 0.00 178.31 177.68 3adn h ARG 118 N 0.00 0.00 0.03 0.00 2.43 -1.20 -0.97 114.38 114.66 3adn h ARG 118 Ca -0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 3adn h ARG 118 Cb 0.76 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 3adn h ARG 118 CO 0.04 0.32 -1.59 0.94 -1.51 0.00 0.00 179.97 178.17 3adn n GLN 119 N -3.39 0.61 0.01 0.20 7.27 -0.15 -4.40 117.38 117.53 3adn n GLN 119 Ca 0.00 0.46 -0.11 0.00 0.07 0.00 0.00 57.00 57.43 3adn n GLN 119 Cb 0.52 -1.71 -0.14 0.00 2.41 0.00 0.00 30.24 31.32 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 -0.73 0.13 -2.93 3.69 0.05 -0.30 -3.39 116.97 113.49 3adn h TYR 120 Ca -0.41 -0.09 -0.69 0.00 0.05 0.00 0.00 58.73 57.59 3adn h TYR 120 Cb 1.52 -0.01 -0.36 0.00 1.01 0.00 0.00 36.73 38.89 3adn h TYR 120 CO 0.07 1.15 -0.08 1.28 -1.05 0.00 0.00 178.16 179.52 3adn n LEU 121 N -3.22 4.44 -0.06 3.88 4.77 -0.37 -4.89 117.00 121.55 3adn n LEU 121 Ca -0.15 -5.24 -0.10 0.00 -0.03 0.00 0.00 56.01 50.50 3adn n LEU 121 Cb 1.03 -1.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3adn n LEU 121 CO 0.46 1.73 0.59 1.55 -1.33 0.00 0.00 177.39 180.39 3adn h PRO 122 N 5.36 0.74 0.00 3.23 0.13 -1.77 -3.07 132.00 136.62 3adn h PRO 122 Ca 0.18 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3adn h PRO 122 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3adn h PRO 122 CO 0.94 0.99 0.00 -0.91 -0.23 0.00 0.00 178.00 178.78 3adn h ASN 123 N 0.61 0.00 -0.02 1.44 4.21 -1.92 0.15 115.58 120.04 3adn h ASN 123 Ca 0.06 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.54 3adn h ASN 123 Cb 0.91 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 3adn h ASN 123 CO 0.08 0.00 -0.07 0.45 -1.29 0.00 0.00 177.43 176.60 3adn h HIS 124 N 0.00 0.12 0.04 1.19 3.86 -1.81 -3.32 115.15 115.23 3adn h HIS 124 Ca 0.00 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3adn h HIS 124 Cb 0.53 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.98 3adn h HIS 124 CO 0.00 0.69 -0.02 -0.97 0.86 0.00 0.00 177.93 178.49 3adn h ASN 125 N -0.49 -0.05 -4.24 2.45 -0.00 -1.53 -3.19 115.58 108.53 3adn h ASN 125 Ca -0.00 -0.37 -0.37 0.00 -0.00 0.00 0.00 56.30 55.56 3adn h ASN 125 Cb 0.70 0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.03 3adn h ASN 125 CO 0.02 0.35 -0.53 0.00 -0.00 0.00 0.00 177.43 177.27 3adn n ALA 126 N -2.33 -0.88 -2.55 1.57 0.00 0.50 -1.25 120.51 115.58 3adn n ALA 126 Ca -0.08 0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 3adn n ALA 126 Cb 0.22 -2.84 0.01 0.00 0.00 0.00 0.00 19.45 16.84 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 -1.20 0.04 0.07 0.00 0.00 -1.26 -4.92 105.19 97.92 3adn n GLY 127 Ca -0.13 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.56 0.01 0.70 1.61 0.87 -1.53 -3.25 113.55 111.40 3adn h SER 128 Ca -0.27 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 3adn h SER 128 Cb 1.19 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3adn h SER 128 CO 0.29 1.01 0.00 1.88 -0.53 0.00 0.00 176.83 179.48 3adn h TYR 129 N 0.00 0.00 0.00 2.24 0.05 -1.91 -2.35 116.97 114.99 3adn h TYR 129 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.69 3adn h TYR 129 Cb 1.84 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.58 3adn h TYR 129 CO 0.00 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 176.86 3adn n ASP 130 N -2.89 0.00 -4.73 3.88 8.00 -1.23 -4.82 116.55 114.77 3adn n ASP 130 Ca 0.00 0.50 -0.42 0.00 0.71 0.00 0.00 54.79 55.58 3adn n ASP 130 Cb 0.23 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 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 -3.00 6.70 0.46 -2.24 2.15 -0.89 -4.91 116.67 114.93 3adn s ASP 131 Ca 0.12 2.56 0.20 0.00 0.43 0.00 0.00 52.55 55.86 3adn s ASP 131 Cb 0.16 -2.61 1.10 0.00 -0.30 0.00 0.00 42.92 41.27 3adn s ASP 131 CO 0.45 -0.70 1.96 1.55 -0.17 0.00 0.00 175.17 178.26 3adn h PRO 132 N 5.80 0.00 -0.06 4.34 0.13 -1.90 -2.99 132.00 137.32 3adn h PRO 132 Ca -0.44 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 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 0.22 -0.55 0.00 -0.23 0.00 0.00 178.00 178.26 3adn h ARG 133 N 0.00 0.16 -7.13 0.86 3.08 -1.91 -3.46 114.38 105.99 3adn h ARG 133 Ca -0.00 -0.10 -0.55 0.00 0.07 0.00 0.00 59.98 59.39 3adn h ARG 133 Cb 0.47 0.01 0.17 0.00 0.08 0.00 0.00 29.97 30.70 3adn h ARG 133 CO 0.03 0.67 0.48 0.34 -1.07 0.00 0.00 179.97 180.42 3adn n PHE 134 N -3.90 1.80 -3.67 3.04 7.35 -1.13 -3.26 117.46 117.68 3adn n PHE 134 Ca -0.02 0.42 -0.09 0.00 -0.76 0.00 0.00 57.45 57.00 3adn n PHE 134 Cb 0.57 -2.23 -0.10 0.00 0.35 0.00 0.00 39.48 38.07 3adn n PHE 134 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 3adn s LYS 135 N -3.54 0.40 -0.17 -4.13 2.20 -0.84 -4.94 119.74 108.72 3adn s LYS 135 Ca 0.81 0.96 -0.09 0.00 -0.36 0.00 0.00 55.97 57.30 3adn s LYS 135 Cb -0.36 0.18 -0.05 0.00 -1.51 0.00 0.00 37.83 36.10 3adn s LYS 135 CO 0.42 -0.20 0.12 -1.17 -0.36 0.00 0.00 175.35 174.16 3adn s LEU 136 N 2.00 4.18 -0.04 5.43 2.96 -1.26 -1.82 118.68 130.13 3adn s LEU 136 Ca -0.06 0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.16 3adn s LEU 136 Cb -0.10 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 3adn s LEU 136 CO -0.14 0.24 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.28 3adn s VAL 137 N -0.04 1.40 -0.34 1.68 1.01 -0.81 -4.96 120.40 118.34 3adn s VAL 137 Ca 0.09 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3adn s VAL 137 Cb -0.11 -1.19 0.09 0.00 0.00 0.00 0.00 36.38 35.17 3adn s VAL 137 CO -0.00 0.40 0.06 -0.63 0.00 0.00 0.00 175.10 174.93 3adn s ILE 138 N -0.05 2.52 0.37 2.22 1.09 -1.26 -1.29 121.20 124.81 3adn s ILE 138 Ca -0.02 -2.14 -0.10 0.00 -1.10 0.00 0.00 60.65 57.29 3adn s ILE 138 Cb -0.10 -2.76 0.03 0.00 -1.06 0.00 0.00 42.46 38.57 3adn s ILE 138 CO 0.01 -0.52 0.66 -0.62 -0.10 0.00 0.00 174.94 174.38 3adn s ASP 139 N 1.14 0.41 0.04 3.58 2.15 -1.05 -4.96 116.67 117.98 3adn s ASP 139 Ca 0.07 -1.30 -0.08 0.00 0.43 0.00 0.00 52.55 51.67 3adn s ASP 139 Cb -0.20 0.78 -0.02 0.00 -0.30 0.00 0.00 42.92 43.18 3adn s ASP 139 CO -0.06 -1.54 1.14 -0.78 -0.17 0.00 0.00 175.17 173.76 3adn h ASP 140 N 2.04 -0.56 0.00 -0.34 3.58 -1.94 -3.33 116.42 115.86 3adn h ASP 140 Ca -0.31 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.23 3adn h ASP 140 Cb 1.25 0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.54 3adn h ASP 140 CO 0.40 -0.07 0.00 0.61 -2.88 0.00 0.00 179.24 177.30 3adn n GLY 141 N -1.07 0.94 1.55 -0.78 0.00 -1.26 -4.67 105.19 99.90 3adn n GLY 141 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 2.04 -2.66 1.61 0.24 -1.26 -5.05 118.33 113.25 3adn n VAL 142 Ca 0.00 -1.07 0.00 0.00 -2.04 0.00 0.00 64.34 61.23 3adn n VAL 142 Cb 0.00 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.13 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 0.58 0.00 -0.25 -1.34 0.23 -1.26 -4.78 115.26 108.44 3adn n ASN 143 Ca 0.22 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.32 3adn n ASN 143 Cb 0.95 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.84 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 0.34 0.00 -3.83 4.15 -2.03 -3.50 115.11 110.25 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 0.23 0.00 0.25 -1.93 0.00 0.00 178.83 177.38 3adn n THR 148 N -5.08 0.00 -3.14 2.39 -2.24 -1.26 -4.43 114.28 100.52 3adn n THR 148 Ca 0.14 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.70 3adn n THR 148 Cb 0.44 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.70 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 -5.45 0.00 3.42 2.88 -1.26 -4.89 113.62 108.33 3adn n SER 149 Ca 0.00 -0.32 -0.16 0.00 -1.33 0.00 0.00 58.87 57.06 3adn n SER 149 Cb 0.00 -4.42 -0.14 0.00 -0.75 0.00 0.00 64.21 58.90 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 -1.31 0.16 -3.13 -1.46 4.15 -1.92 -3.51 115.11 108.09 3adn h GLN 150 Ca -0.50 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 58.64 3adn h GLN 150 Cb 1.34 0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.14 3adn h GLN 150 CO 0.56 0.92 -0.62 2.41 -1.93 0.00 0.00 178.83 180.16 3adn n THR 151 N -3.31 -9.10 -4.51 2.39 -1.04 -1.26 -5.08 114.28 92.38 3adn n THR 151 Ca -0.24 2.20 -0.24 0.00 -2.04 0.00 0.00 64.05 63.74 3adn n THR 151 Cb 1.05 -4.17 -0.11 0.00 -1.82 0.00 0.00 70.33 65.28 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 -0.46 2.16 -0.18 -1.42 0.08 -0.79 -4.90 117.98 112.46 3adn s PHE 152 Ca 0.00 -0.85 0.16 0.00 0.12 0.00 0.00 56.93 56.36 3adn s PHE 152 Cb 0.00 -1.45 -0.22 0.00 -0.57 0.00 0.00 43.02 40.78 3adn s PHE 152 CO 0.00 0.17 0.06 -0.25 -0.10 0.00 0.00 175.22 175.10 3adn n ASP 153 N -0.78 0.62 -3.81 1.36 8.00 0.19 -0.47 116.55 121.66 3adn n ASP 153 Ca -0.03 -0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.32 3adn n ASP 153 Cb 0.67 0.91 -0.15 0.00 -0.02 0.00 0.00 41.12 42.53 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 -2.43 -0.03 -0.11 2.53 1.01 -1.16 -1.17 120.40 119.04 3adn s VAL 154 Ca -0.09 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.06 3adn s VAL 154 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 36.38 36.37 3adn s VAL 154 CO 0.73 0.06 -0.22 -0.63 0.00 0.00 0.00 175.10 175.04 3adn s ILE 155 N 0.70 2.26 -0.24 2.22 1.01 -0.35 -0.54 121.20 126.24 3adn s ILE 155 Ca -0.06 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.67 3adn s ILE 155 Cb -0.08 -1.88 0.05 0.00 0.01 0.00 0.00 42.46 40.56 3adn s ILE 155 CO -0.02 0.55 -0.13 -0.63 0.00 0.00 0.00 174.94 174.72 3adn s ILE 156 N 0.33 2.12 0.43 2.92 1.01 -0.09 -1.81 121.20 126.11 3adn s ILE 156 Ca -0.17 -1.47 0.07 0.00 0.00 0.00 0.00 60.65 59.08 3adn s ILE 156 Cb -0.18 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3adn s ILE 156 CO 0.08 0.09 0.23 -0.55 0.00 0.00 0.00 174.94 174.79 3adn s SER 157 N 1.15 4.53 0.00 3.58 0.15 -0.86 -0.23 113.70 122.03 3adn s SER 157 Ca -0.06 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.52 3adn s SER 157 Cb -0.18 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 3adn s SER 157 CO -0.07 -0.63 0.84 0.47 1.20 0.00 0.00 173.24 175.04 3adn n ASP 158 N -1.34 1.61 -1.01 5.45 8.00 -1.17 -3.12 116.55 124.97 3adn n ASP 158 Ca -0.01 -1.69 0.11 0.00 0.71 0.00 0.00 54.79 53.91 3adn n ASP 158 Cb 0.64 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.70 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 -3.17 0.00 -4.45 0.00 7.35 -1.26 -5.07 117.46 110.85 3adn n PHE 170 Ca -0.01 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.45 3adn n PHE 170 Cb 0.61 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.35 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 0.68 0.11 -2.13 -1.32 -1.26 -4.97 115.64 106.75 3adn s THR 171 Ca 0.00 -2.00 -0.31 0.00 -1.21 0.00 0.00 61.69 58.17 3adn s THR 171 Cb 0.00 -2.51 -0.10 0.00 -1.51 0.00 0.00 72.50 68.38 3adn s THR 171 CO 0.00 0.00 1.59 0.28 -2.21 0.00 0.00 174.62 174.28 3adn h SER 172 N 1.99 -1.18 -0.13 8.08 0.02 -2.00 -3.01 113.55 117.33 3adn h SER 172 Ca -0.36 0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3adn h SER 172 Cb 1.26 0.44 -0.05 0.00 0.14 0.00 0.00 62.40 64.19 3adn h SER 172 CO 0.59 -0.48 -0.42 0.00 -1.14 0.00 0.00 176.83 175.39 3adn h ALA 173 N -0.13 -0.77 -0.88 3.77 0.00 -1.99 -0.56 119.26 118.71 3adn h ALA 173 Ca 0.02 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.11 3adn h ALA 173 Cb 0.66 0.92 -0.13 0.00 0.00 0.00 0.00 17.79 19.25 3adn h ALA 173 CO -0.23 -0.93 0.35 0.35 0.00 0.00 0.00 179.25 178.79 3adn h PHE 174 N -0.43 0.57 -0.14 0.00 3.57 -1.88 -0.75 116.94 117.87 3adn h PHE 174 Ca 0.03 0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.38 3adn h PHE 174 Cb 0.51 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3adn h PHE 174 CO -0.57 -0.08 -0.70 1.88 -2.23 0.00 0.00 178.31 176.62 3adn h TYR 175 N 0.36 0.80 -0.56 0.41 0.05 -1.32 -1.45 116.97 115.25 3adn h TYR 175 Ca 0.54 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 58.99 3adn h TYR 175 Cb 1.04 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.62 3adn h TYR 175 CO -0.17 1.12 0.37 1.49 -1.05 0.00 0.00 178.16 179.92 3adn h GLU 176 N 0.43 0.74 0.08 4.88 4.81 0.21 -1.46 114.58 124.27 3adn h GLU 176 Ca -0.03 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3adn h GLU 176 Cb 1.29 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3adn h GLU 176 CO 0.13 0.50 -0.04 0.78 -0.73 0.00 0.00 179.01 179.65 3adn h GLY 177 N 0.77 -0.11 0.36 1.92 0.00 -1.00 -1.92 103.07 103.09 3adn h GLY 177 Ca 0.21 0.04 0.23 0.00 0.00 0.00 0.00 47.33 47.81 3adn h GLY 177 CO -0.04 -0.04 0.60 0.00 0.00 0.00 0.00 176.54 177.05 3adn h LYS 179 N 0.00 0.19 -0.89 0.00 3.64 -1.20 -3.31 116.57 114.99 3adn h LYS 179 Ca 0.38 -0.32 0.14 0.00 -1.27 0.00 0.00 60.65 59.59 3adn h LYS 179 Cb 1.57 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 33.44 3adn h LYS 179 CO -0.00 1.15 0.58 -0.09 -2.27 0.00 0.00 179.45 178.81 3adn h ARG 180 N -0.61 0.68 -1.29 1.90 1.12 -0.35 -1.61 114.38 114.21 3adn h ARG 180 Ca -0.09 -0.04 -0.68 0.00 -1.11 0.00 0.00 59.98 58.06 3adn h ARG 180 Cb 1.40 -0.15 -0.31 0.00 -0.01 0.00 0.00 29.97 30.90 3adn h ARG 180 CO 0.09 0.45 0.56 0.00 -3.11 0.00 0.00 179.97 177.96 3adn s LEU 182 N -3.84 2.09 0.86 0.00 2.96 -0.61 -1.89 118.68 118.25 3adn s LEU 182 Ca 0.58 -0.32 -0.10 0.00 -0.22 0.00 0.00 54.13 54.06 3adn s LEU 182 Cb 0.47 -0.60 0.11 0.00 0.50 0.00 0.00 46.19 46.67 3adn s LEU 182 CO -0.14 0.09 1.12 0.20 -1.32 0.00 0.00 176.35 176.30 3adn s ASN 183 N -0.67 3.54 0.59 3.68 -0.87 0.38 -4.85 114.94 116.75 3adn s ASN 183 Ca 0.03 1.97 0.29 0.00 -1.57 0.00 0.00 52.86 53.58 3adn s ASN 183 Cb -0.06 -2.52 1.41 0.00 -0.02 0.00 0.00 41.25 40.06 3adn s ASN 183 CO 0.00 -2.67 1.82 -0.65 -2.57 0.00 0.00 177.10 173.03 3adn h PRO 184 N -1.57 0.00 0.00 -0.60 0.11 -1.97 -1.91 132.00 126.05 3adn h PRO 184 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3adn h PRO 184 Cb 1.26 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 3adn h PRO 184 CO 0.47 0.00 -0.43 0.41 -0.21 0.00 0.00 178.00 178.23 3adn n GLY 185 N -1.53 3.22 3.80 -0.55 0.00 -1.26 -4.73 105.19 104.14 3adn n GLY 185 Ca 0.10 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.37 1.72 0.09 -0.02 0.00 -0.72 -4.83 107.32 101.19 3adn s GLY 186 Ca 0.26 0.18 0.08 0.00 0.00 0.00 0.00 44.72 45.25 3adn s GLY 186 CO -0.04 0.50 -0.18 -0.42 0.00 0.00 0.00 173.10 172.96 3adn s ILE 187 N -2.94 2.82 -0.12 0.90 1.01 -0.32 -4.30 121.20 118.26 3adn s ILE 187 Ca 0.60 -1.40 0.01 0.00 0.00 0.00 0.00 60.65 59.85 3adn s ILE 187 Cb -0.15 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.08 3adn s ILE 187 CO 0.54 0.18 -0.13 0.12 0.00 0.00 0.00 174.94 175.65 3adn s PHE 188 N -1.07 1.90 0.22 3.97 5.36 0.54 -1.22 117.98 127.69 3adn s PHE 188 Ca 0.17 -0.98 0.11 0.00 -0.96 0.00 0.00 56.93 55.27 3adn s PHE 188 Cb -0.11 -1.43 -0.05 0.00 -0.34 0.00 0.00 43.02 41.10 3adn s PHE 188 CO 0.08 -0.55 -0.20 0.14 -1.46 0.00 0.00 175.22 173.23 3adn s VAL 189 N 1.35 2.23 -0.17 3.12 -7.23 -0.75 -0.69 120.40 118.26 3adn s VAL 189 Ca 0.00 -2.19 -0.27 0.00 -1.81 0.00 0.00 61.98 57.72 3adn s VAL 189 Cb -0.14 -2.13 0.07 0.00 0.56 0.00 0.00 36.38 34.74 3adn s VAL 189 CO -0.07 -0.33 0.67 0.00 -0.31 0.00 0.00 175.10 175.07 3adn s ALA 190 N -2.25 -1.70 -0.00 1.32 0.00 -1.03 -2.02 121.76 116.08 3adn s ALA 190 Ca 0.24 1.64 -0.30 0.00 0.00 0.00 0.00 51.96 53.54 3adn s ALA 190 Cb -0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 3adn s ALA 190 CO 0.11 -0.34 1.27 -1.14 0.00 0.00 0.00 175.76 175.65 3adn s GLN 191 N -0.32 4.35 -0.28 0.00 -0.44 -1.18 -0.14 119.66 121.65 3adn s GLN 191 Ca -0.05 1.80 0.08 0.00 -2.50 0.00 0.00 55.36 54.69 3adn s GLN 191 Cb -0.03 -3.49 0.46 0.00 -1.64 0.00 0.00 33.01 28.31 3adn s GLN 191 CO 0.05 -0.43 1.19 -1.71 0.50 0.00 0.00 175.29 174.88 3adn n ASN 192 N 4.86 4.57 -1.45 6.67 4.05 0.18 -4.61 115.26 129.53 3adn n ASN 192 Ca 0.11 -3.74 0.18 0.00 0.45 0.00 0.00 54.58 51.59 3adn n ASN 192 Cb 0.45 -0.36 -0.08 0.00 1.23 0.00 0.00 39.78 41.03 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 -0.74 -2.87 3.69 8.20 0.00 -1.24 -4.46 105.19 107.75 3adn n GLY 193 Ca 0.41 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 3adn n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3adn s VAL 194 N -3.57 4.20 -0.35 1.61 0.11 -1.26 -0.52 120.40 120.63 3adn s VAL 194 Ca 0.00 1.53 -0.13 0.00 -2.93 0.00 0.00 61.98 60.45 3adn s VAL 194 Cb 0.00 -3.98 -0.01 0.00 -1.53 0.00 0.00 36.38 30.85 3adn s VAL 194 CO 0.00 -0.01 0.26 0.00 -3.33 0.00 0.00 175.10 172.02 3adn n PHE 196 N 5.15 0.00 0.57 0.00 7.35 -1.26 -4.65 117.46 124.62 3adn n PHE 196 Ca -0.12 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.68 3adn n PHE 196 Cb 0.49 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.30 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 0.00 0.60 -3.54 -2.13 4.77 -1.26 -4.94 117.00 110.50 3adn n LEU 197 Ca 0.00 -0.09 -0.17 0.00 -0.03 0.00 0.00 56.01 55.72 3adn n LEU 197 Cb 0.00 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 3adn n LEU 197 CO 0.00 0.07 0.46 -1.58 -1.33 0.00 0.00 177.39 175.01 3adn s GLN 198 N -3.20 1.01 0.00 3.23 -0.44 -1.26 -5.04 119.66 113.95 3adn s GLN 198 Ca 0.03 0.34 0.00 0.00 -2.50 0.00 0.00 55.36 53.23 3adn s GLN 198 Cb 0.15 0.48 0.00 0.00 -1.64 0.00 0.00 33.01 31.99 3adn s GLN 198 CO 0.82 -0.29 0.49 1.04 0.50 0.00 0.00 175.29 177.85 3adn n GLN 199 N 1.10 0.00 0.23 1.67 3.00 -1.26 -4.48 117.38 117.64 3adn n GLN 199 Ca -0.18 -0.49 0.07 0.00 -0.01 0.00 0.00 57.00 56.40 3adn n GLN 199 Cb 0.57 -0.46 0.53 0.00 0.00 0.00 0.00 30.24 30.88 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 -0.35 -1.09 3.07 -1.98 -2.41 114.58 111.82 3adn h GLU 200 Ca 0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 3adn h GLU 200 Cb 1.02 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 3adn h GLU 200 CO 0.00 0.22 -0.33 0.93 -1.40 0.00 0.00 179.01 178.43 3adn h GLU 201 N 0.00 0.84 -0.49 2.33 5.08 -1.94 -0.87 114.58 119.52 3adn h GLU 201 Ca -0.00 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 57.90 3adn h GLU 201 Cb 0.44 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3adn h GLU 201 CO 0.03 1.07 0.23 0.00 -1.00 0.00 0.00 179.01 179.34 3adn h ALA 202 N 0.75 0.63 -0.64 3.43 0.00 -1.75 0.08 119.26 121.77 3adn h ALA 202 Ca 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3adn h ALA 202 Cb 0.91 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3adn h ALA 202 CO 0.08 0.20 0.34 0.82 0.00 0.00 0.00 179.25 180.69 3adn h ILE 203 N 0.65 1.21 0.20 0.00 2.04 -1.36 0.28 117.51 120.52 3adn h ILE 203 Ca 0.17 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3adn h ILE 203 Cb 0.12 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3adn h ILE 203 CO -0.02 0.23 -0.10 -0.78 0.00 0.00 0.00 178.15 177.48 3adn h ASP 204 N 0.87 -0.23 -0.25 1.72 3.58 -0.86 -1.07 116.42 120.18 3adn h ASP 204 Ca 0.22 -0.16 0.06 0.00 0.42 0.00 0.00 57.03 57.57 3adn h ASP 204 Cb 0.06 0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.11 3adn h ASP 204 CO -0.03 0.03 -0.13 0.28 -2.88 0.00 0.00 179.24 176.50 3adn h SER 205 N -0.49 -0.44 -0.73 2.28 0.02 -0.84 -1.14 113.55 112.20 3adn h SER 205 Ca -0.03 0.10 0.07 0.00 -0.84 0.00 0.00 61.79 61.10 3adn h SER 205 Cb 0.37 0.24 -0.06 0.00 0.14 0.00 0.00 62.40 63.09 3adn h SER 205 CO 0.05 -0.17 0.41 -0.74 -1.14 0.00 0.00 176.83 175.24 3adn h HIS 206 N -0.11 0.76 -0.59 3.45 -0.00 -0.90 0.43 115.15 118.19 3adn h HIS 206 Ca 0.14 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.49 3adn h HIS 206 Cb 0.31 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.46 3adn h HIS 206 CO -0.31 0.35 0.19 -0.09 -0.00 0.00 0.00 177.93 178.07 3adn h ARG 207 N 0.74 0.89 0.22 5.26 2.43 -0.36 -1.71 114.38 121.85 3adn h ARG 207 Ca 0.34 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3adn h ARG 207 Cb 0.24 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3adn h ARG 207 CO -0.20 0.76 -0.11 0.87 -1.51 0.00 0.00 179.97 179.78 3adn h LYS 208 N 0.87 -0.29 -0.85 0.20 1.57 -0.35 -3.30 116.57 114.41 3adn h LYS 208 Ca 0.20 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.13 3adn h LYS 208 Cb 0.24 0.07 -0.14 0.00 0.08 0.00 0.00 32.23 32.47 3adn h LYS 208 CO -0.01 -0.19 -0.37 -0.07 -0.57 0.00 0.00 179.45 178.24 3adn h LEU 209 N -0.92 -1.33 -1.46 2.94 4.07 -0.23 0.46 115.31 118.85 3adn h LEU 209 Ca -0.03 0.28 0.20 0.00 0.08 0.00 0.00 57.88 58.41 3adn h LEU 209 Cb 0.23 0.69 -0.03 0.00 1.08 0.00 0.00 40.66 42.63 3adn h LEU 209 CO 0.05 -0.29 0.85 0.28 -1.08 0.00 0.00 178.44 178.25 3adn h SER 210 N -0.06 0.00 1.60 -0.43 0.02 -1.42 1.03 113.55 114.29 3adn h SER 210 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3adn h SER 210 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3adn h SER 210 CO -0.88 0.00 0.00 -0.74 -1.14 0.00 0.00 176.83 174.07 3adn h HIS 211 N 0.00 0.00 -0.00 3.45 -0.00 -0.14 -3.30 115.15 115.15 3adn h HIS 211 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.71 3adn h HIS 211 Cb 2.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.45 3adn h HIS 211 CO 0.00 0.00 -0.02 0.66 -0.00 0.00 0.00 177.93 178.57 3adn n TYR 212 N -2.88 0.00 -4.06 5.26 4.01 0.34 -5.03 117.16 114.81 3adn n TYR 212 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.65 3adn n TYR 212 Cb 0.44 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.35 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 -0.53 0.56 -1.24 -0.72 0.08 -0.34 -4.94 117.98 110.85 3adn s PHE 213 Ca 0.01 -0.44 0.26 0.00 0.12 0.00 0.00 56.93 56.88 3adn s PHE 213 Cb 0.01 -0.34 0.67 0.00 -0.57 0.00 0.00 43.02 42.79 3adn s PHE 213 CO 0.03 -0.09 1.52 -1.13 -0.10 0.00 0.00 175.22 175.45 3adn n SER 214 N 1.73 0.60 -3.67 1.36 3.41 -1.19 -4.43 113.62 111.42 3adn n SER 214 Ca -0.21 -0.38 -0.27 0.00 -0.26 0.00 0.00 58.87 57.74 3adn n SER 214 Cb 0.55 0.14 -0.17 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.83 2.72 -0.04 4.04 2.15 -0.23 -4.93 116.67 117.55 3adn s ASP 215 Ca 0.16 -0.77 0.04 0.00 0.43 0.00 0.00 52.55 52.41 3adn s ASP 215 Cb 0.18 -0.43 -0.00 0.00 -0.30 0.00 0.00 42.92 42.37 3adn s ASP 215 CO 0.63 -0.34 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.45 3adn s VAL 216 N 1.99 1.29 0.00 1.11 1.01 -1.26 -1.66 120.40 122.88 3adn s VAL 216 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3adn s VAL 216 Cb -0.17 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3adn s VAL 216 CO -0.10 0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3adn n GLY 217 N 3.15 2.25 3.12 4.51 0.00 0.46 -5.00 105.19 113.68 3adn n GLY 217 Ca -0.18 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 3adn n GLY 217 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3adn s PHE 218 N -5.46 -0.03 0.48 1.61 0.08 -1.26 -0.02 117.98 113.38 3adn s PHE 218 Ca 0.00 0.04 0.02 0.00 0.12 0.00 0.00 56.93 57.11 3adn s PHE 218 Cb 0.00 -0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.42 3adn s PHE 218 CO 0.00 -0.27 0.01 1.52 -0.10 0.00 0.00 175.22 176.38 3adn s TYR 219 N -1.11 1.98 0.10 0.36 1.13 -0.43 -4.76 117.35 114.62 3adn s TYR 219 Ca -0.12 -0.93 -0.14 0.00 -1.41 0.00 0.00 57.07 54.47 3adn s TYR 219 Cb -0.06 -1.61 0.02 0.00 -1.10 0.00 0.00 41.96 39.22 3adn s TYR 219 CO 0.02 0.23 0.34 -1.14 -2.51 0.00 0.00 175.55 172.49 3adn s GLN 220 N -3.84 0.97 0.00 -3.49 -0.44 0.21 -1.35 119.66 111.73 3adn s GLN 220 Ca 0.13 -0.71 -0.27 0.00 -2.50 0.00 0.00 55.36 52.00 3adn s GLN 220 Cb 0.03 0.42 0.06 0.00 -1.64 0.00 0.00 33.01 31.89 3adn s GLN 220 CO 0.07 -0.35 0.61 0.00 0.50 0.00 0.00 175.29 176.12 3adn s ALA 221 N -3.55 -1.60 -0.37 1.58 0.00 -1.11 -4.59 121.76 112.12 3adn s ALA 221 Ca 0.02 1.00 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 3adn s ALA 221 Cb 0.02 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.38 3adn s ALA 221 CO -0.10 -0.45 0.19 0.00 0.00 0.00 0.00 175.76 175.41 3adn s ALA 222 N -1.80 3.23 -0.37 0.00 0.00 -1.26 -1.00 121.76 120.57 3adn s ALA 222 Ca -0.08 -1.75 -0.20 0.00 0.00 0.00 0.00 51.96 49.93 3adn s ALA 222 Cb -0.01 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.58 3adn s ALA 222 CO 0.04 -1.40 0.59 0.42 0.00 0.00 0.00 175.76 175.41 3adn s ILE 223 N 1.52 4.93 0.41 0.00 1.09 -1.26 -4.97 121.20 122.92 3adn s ILE 223 Ca 0.01 0.41 0.16 0.00 -1.10 0.00 0.00 60.65 60.13 3adn s ILE 223 Cb -0.19 -4.05 0.37 0.00 -1.06 0.00 0.00 42.46 37.52 3adn s ILE 223 CO 0.06 -0.32 1.86 1.55 -0.10 0.00 0.00 174.94 177.99 3adn h PRO 224 N 8.52 0.44 0.00 2.79 0.13 -1.93 -0.68 132.00 141.27 3adn h PRO 224 Ca -0.27 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3adn h PRO 224 Cb 1.11 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3adn h PRO 224 CO 0.82 0.29 -0.07 2.41 -0.23 0.00 0.00 178.00 181.22 3adn n THR 225 N -4.53 0.38 -3.29 1.56 -1.04 -1.26 -4.21 114.28 101.89 3adn n THR 225 Ca 0.19 -0.19 -0.45 0.00 -2.04 0.00 0.00 64.05 61.56 3adn n THR 225 Cb 0.65 -0.49 -0.00 0.00 -1.82 0.00 0.00 70.33 68.67 3adn n THR 225 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3adn s TYR 226 N -3.07 4.09 0.30 -1.42 2.02 -0.26 -4.97 117.35 114.04 3adn s TYR 226 Ca 0.11 -2.50 -0.27 0.00 -0.37 0.00 0.00 57.07 54.04 3adn s TYR 226 Cb 0.15 -3.90 -0.14 0.00 -0.40 0.00 0.00 41.96 37.66 3adn s TYR 226 CO 0.59 -1.02 0.79 0.98 -1.57 0.00 0.00 175.55 175.32 3adn n TYR 227 N 3.29 0.46 0.00 2.71 9.36 -1.26 -4.15 117.16 127.56 3adn n TYR 227 Ca 0.24 0.75 0.00 0.00 3.32 0.00 0.00 57.90 62.20 3adn n TYR 227 Cb 0.41 -2.12 0.00 0.00 -0.63 0.00 0.00 39.34 37.00 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 1.53 1.48 7.00 2.98 0.00 -1.26 -4.93 105.19 111.99 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 -0.20 0.69 3.68 -0.02 0.00 -1.26 -4.72 105.19 103.35 3adn n GLY 229 Ca 0.00 -0.71 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 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 1.51 -4.52 -0.61 5.41 -1.26 -4.21 119.36 115.67 3adn n ILE 230 Ca 0.00 -0.38 -0.31 0.00 1.00 0.00 0.00 62.75 63.06 3adn n ILE 230 Cb 0.00 -1.49 -0.12 0.00 -0.71 0.00 0.00 39.64 37.32 3adn n ILE 230 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 176.55 176.23 3adn s MET 231 N -1.17 2.18 -0.14 0.38 -2.45 -0.17 -1.86 119.30 116.08 3adn s MET 231 Ca 0.62 -0.94 -0.05 0.00 -1.25 0.00 0.00 55.69 54.07 3adn s MET 231 Cb -0.61 -2.28 -0.04 0.00 1.25 0.00 0.00 34.83 33.15 3adn s MET 231 CO 0.56 0.55 0.05 0.99 1.05 0.00 0.00 175.02 178.22 3adn s THR 232 N -1.00 4.72 -0.24 10.11 2.01 0.32 -2.75 115.64 128.82 3adn s THR 232 Ca 0.16 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.09 3adn s THR 232 Cb -0.11 -3.06 0.04 0.00 0.01 0.00 0.00 72.50 69.38 3adn s THR 232 CO 0.07 0.54 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.08 3adn s PHE 233 N -0.32 3.06 0.51 4.92 0.08 -0.45 0.47 117.98 126.25 3adn s PHE 233 Ca 0.08 -1.83 -0.22 0.00 0.12 0.00 0.00 56.93 55.08 3adn s PHE 233 Cb -0.12 -1.98 -0.06 0.00 -0.57 0.00 0.00 43.02 40.29 3adn s PHE 233 CO 0.02 -0.80 1.29 0.00 -0.10 0.00 0.00 175.22 175.63 3adn s ALA 234 N 1.24 2.88 -0.09 5.36 0.00 0.80 -1.31 121.76 130.64 3adn s ALA 234 Ca -0.02 1.19 -0.02 0.00 0.00 0.00 0.00 51.96 53.11 3adn s ALA 234 Cb -0.17 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.49 3adn s ALA 234 CO -0.07 -1.11 0.04 -0.46 0.00 0.00 0.00 175.76 174.17 3adn s TRP 235 N -1.39 0.39 -0.02 0.00 -0.11 0.97 -2.46 118.94 116.32 3adn s TRP 235 Ca 0.68 -0.11 0.01 0.00 1.22 0.00 0.00 56.10 57.91 3adn s TRP 235 Cb -0.36 -0.68 0.01 0.00 -1.50 0.00 0.00 33.47 30.93 3adn s TRP 235 CO 0.43 -0.34 -0.05 0.00 -4.62 0.00 0.00 176.95 172.37 3adn s ALA 236 N 2.07 0.57 -0.07 5.86 0.00 0.13 -0.40 121.76 129.92 3adn s ALA 236 Ca 0.04 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 3adn s ALA 236 Cb -0.13 -0.28 0.11 0.00 0.00 0.00 0.00 23.12 22.82 3adn s ALA 236 CO -0.05 0.05 0.95 -0.08 0.00 0.00 0.00 175.76 176.62 3adn s THR 237 N 0.44 0.00 -0.98 0.00 -1.32 -0.67 -0.34 115.64 112.78 3adn s THR 237 Ca -0.05 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.68 3adn s THR 237 Cb -0.09 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.93 3adn s THR 237 CO -0.00 0.00 1.46 0.47 -2.21 0.00 0.00 174.62 174.33 3adn n ASP 238 N 0.07 0.46 -4.41 8.08 8.00 -1.26 -1.06 116.55 126.42 3adn n ASP 238 Ca -0.08 -0.16 -0.45 0.00 0.71 0.00 0.00 54.79 54.80 3adn n ASP 238 Cb 0.60 0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.86 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 -3.06 6.71 0.00 -2.24 3.04 -1.26 -4.74 114.94 113.39 3adn s ASN 239 Ca 0.11 -2.32 0.03 0.00 0.04 0.00 0.00 52.86 50.72 3adn s ASN 239 Cb 0.17 -2.34 0.19 0.00 -1.54 0.00 0.00 41.25 37.74 3adn s ASN 239 CO 0.69 -0.89 0.56 -0.90 -3.04 0.00 0.00 177.10 173.52 3adn n ASP 240 N 5.67 0.00 -0.01 -4.21 5.75 -1.26 -2.58 116.55 119.91 3adn n ASP 240 Ca 0.22 -0.57 0.10 0.00 -0.01 0.00 0.00 54.79 54.53 3adn n ASP 240 Cb 0.48 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.41 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 -0.65 2.97 0.00 2.12 0.00 -1.26 -4.64 120.51 119.05 3adn n ALA 241 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3adn n ALA 241 Cb 0.01 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.15 0.00 -3.35 0.00 4.32 -1.07 -3.40 117.00 111.35 3adn n LEU 242 Ca -0.03 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.70 3adn n LEU 242 Cb 0.52 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.25 3adn n LEU 242 CO 0.44 0.00 -0.02 -2.11 -1.22 0.00 0.00 177.39 174.47 3adn n ARG 243 N 0.25 2.05 -2.99 3.23 1.85 -1.26 -4.83 116.66 114.96 3adn n ARG 243 Ca 0.00 -4.28 -0.17 0.00 -1.00 0.00 0.00 57.85 52.40 3adn n ARG 243 Cb 0.00 -1.97 0.01 0.00 -1.05 0.00 0.00 32.46 29.45 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 0.97 -1.21 -1.62 2.89 1.44 -1.22 -5.11 115.22 111.36 3adn n HIS 244 Ca 0.28 -1.62 -0.38 0.00 -2.01 0.00 0.00 57.72 53.99 3adn n HIS 244 Cb 0.44 -0.33 0.05 0.00 0.12 0.00 0.00 29.99 30.27 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 3.78 -0.12 2.39 -0.00 -1.26 -4.93 117.00 116.86 3adn n LEU 245 Ca 0.01 0.82 -0.06 0.00 -0.00 0.00 0.00 56.01 56.78 3adn n LEU 245 Cb 0.44 -1.40 0.02 0.00 -0.00 0.00 0.00 43.42 42.48 3adn n LEU 245 CO 0.26 -1.79 0.96 -1.28 -0.00 0.00 0.00 177.39 175.55 3adn h SER 246 N 0.55 0.20 -0.51 1.45 0.87 -1.99 -3.09 113.55 111.02 3adn h SER 246 Ca -0.48 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.16 3adn h SER 246 Cb 1.36 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.28 3adn h SER 246 CO 0.51 0.15 0.24 0.71 -0.53 0.00 0.00 176.83 177.92 3adn h THR 247 N 0.33 0.92 -0.43 2.23 1.35 -1.95 0.18 112.91 115.54 3adn h THR 247 Ca 0.17 -0.16 0.05 0.00 -0.55 0.00 0.00 66.41 65.92 3adn h THR 247 Cb 0.12 0.41 -0.02 0.00 -1.73 0.00 0.00 68.15 66.93 3adn h THR 247 CO -0.15 0.09 0.29 -0.33 -0.25 0.00 0.00 175.52 175.16 3adn h GLU 248 N 0.47 0.38 0.00 4.72 3.07 -1.93 0.19 114.58 121.47 3adn h GLU 248 Ca 0.23 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.04 3adn h GLU 248 Cb 0.17 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3adn h GLU 248 CO -0.18 0.25 -0.15 0.82 -1.40 0.00 0.00 179.01 178.35 3adn h ILE 249 N 0.39 0.39 0.00 3.13 1.08 -0.63 -3.10 117.51 118.77 3adn h ILE 249 Ca 0.18 -0.91 -0.12 0.00 -0.39 0.00 0.00 64.86 63.62 3adn h ILE 249 Cb 0.24 1.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 3adn h ILE 249 CO -0.04 0.15 -0.14 -0.38 -0.69 0.00 0.00 178.15 177.05 3adn n ILE 250 N -3.32 2.13 -1.22 -0.67 5.41 0.66 -2.69 119.36 119.65 3adn n ILE 250 Ca 0.00 -1.00 0.01 0.00 1.00 0.00 0.00 62.75 62.76 3adn n ILE 250 Cb 0.38 -1.79 0.23 0.00 -0.71 0.00 0.00 39.64 37.75 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 2.45 2.35 0.25 0.38 10.64 -1.17 -4.38 117.38 127.90 3adn n GLN 251 Ca 0.27 -3.01 0.14 0.00 -1.83 0.00 0.00 57.00 52.57 3adn n GLN 251 Cb 0.64 -1.85 0.55 0.00 -0.86 0.00 0.00 30.24 28.73 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 1.36 1.00 -0.23 2.61 0.00 -1.82 -3.39 119.26 118.78 3adn h ALA 252 Ca 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3adn h ALA 252 Cb 1.62 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3adn h ALA 252 CO 0.34 0.10 0.03 0.54 0.00 0.00 0.00 179.25 180.26 3adn n ARG 253 N -3.19 0.37 0.00 0.00 5.12 -1.26 -4.26 116.66 113.44 3adn n ARG 253 Ca 0.01 -1.17 0.00 0.00 -1.93 0.00 0.00 57.85 54.76 3adn n ARG 253 Cb 0.37 -3.76 0.00 0.00 -1.16 0.00 0.00 32.46 27.92 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 19.08 0.00 0.00 -1.55 7.35 -1.26 -5.20 117.46 135.88 3adn n PHE 254 Ca 0.45 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.14 3adn n PHE 254 Cb 0.44 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 -4.10 -2.13 7.94 -1.26 -5.06 117.00 112.39 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 0.06 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.89 3adn n LEU 259 CO 0.00 0.00 -0.18 -0.75 -1.11 0.00 0.00 177.39 175.35 3adn s LYS 260 N -0.38 1.96 0.58 1.96 2.47 -1.26 -5.07 119.74 120.00 3adn s LYS 260 Ca 0.00 -1.89 -0.05 0.00 -1.56 0.00 0.00 55.97 52.47 3adn s LYS 260 Cb 0.00 -3.54 0.01 0.00 -1.46 0.00 0.00 37.83 32.84 3adn s LYS 260 CO 0.00 -1.06 0.87 0.00 0.16 0.00 0.00 175.35 175.32 3adn n ARG 262 N -2.53 0.44 0.04 0.00 1.74 -1.26 -4.78 116.66 110.31 3adn n ARG 262 Ca 0.04 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3adn n ARG 262 Cb 0.58 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 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 -1.94 -0.29 -1.43 -1.55 9.36 -1.26 -5.07 117.16 114.97 3adn n TYR 263 Ca -0.01 0.05 -0.42 0.00 3.32 0.00 0.00 57.90 60.84 3adn n TYR 263 Cb 0.47 0.12 0.00 0.00 -0.63 0.00 0.00 39.34 39.30 3adn n TYR 263 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 3adn n TYR 264 N -3.01 -0.64 -3.99 2.98 9.36 -1.26 -4.95 117.16 115.65 3adn n TYR 264 Ca 0.00 0.64 -0.10 0.00 3.32 0.00 0.00 57.90 61.75 3adn n TYR 264 Cb 0.00 -1.97 -0.04 0.00 -0.63 0.00 0.00 39.34 36.70 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 -0.94 0.16 0.12 2.98 0.01 -1.26 -4.66 114.94 111.35 3adn s ASN 265 Ca 0.62 -1.08 0.09 0.00 -0.71 0.00 0.00 52.86 51.78 3adn s ASN 265 Cb -0.63 0.64 -0.17 0.00 0.41 0.00 0.00 41.25 41.49 3adn s ASN 265 CO 0.59 -1.26 1.21 -0.65 -1.51 0.00 0.00 177.10 175.48 3adn h PRO 266 N 2.18 0.00 0.01 -0.60 0.11 -1.94 -2.09 132.00 129.67 3adn h PRO 266 Ca -0.27 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 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 0.36 0.85 -0.01 0.00 -0.21 0.00 0.00 178.00 179.00 3adn h ALA 267 N 1.08 -0.01 -0.96 -0.75 0.00 -1.96 -2.67 119.26 113.99 3adn h ALA 267 Ca -0.05 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.71 3adn h ALA 267 Cb 1.74 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.46 3adn h ALA 267 CO 0.11 -0.26 0.60 0.82 0.00 0.00 0.00 179.25 180.53 3adn h ILE 268 N -0.51 0.98 -0.19 0.00 1.08 -1.93 -1.58 117.51 115.36 3adn h ILE 268 Ca -0.00 -0.35 0.05 0.00 -0.39 0.00 0.00 64.86 64.17 3adn h ILE 268 Cb 0.50 -0.13 -0.06 0.00 -3.07 0.00 0.00 36.82 34.06 3adn h ILE 268 CO 0.00 0.19 -0.23 -0.74 -0.69 0.00 0.00 178.15 176.68 3adn h HIS 269 N 1.02 -0.59 -0.34 1.37 2.76 -1.21 -0.67 115.15 117.47 3adn h HIS 269 Ca 0.45 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.61 3adn h HIS 269 Cb 0.35 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 3adn h HIS 269 CO -0.01 -0.30 0.02 1.15 -1.30 0.00 0.00 177.93 177.49 3adn h THR 270 N -0.25 1.25 -0.48 6.26 2.02 -1.08 -3.24 112.91 117.39 3adn h THR 270 Ca 0.12 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 3adn h THR 270 Cb 0.44 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3adn h THR 270 CO -0.34 0.30 0.02 0.00 0.37 0.00 0.00 175.52 175.87 3adn h ALA 271 N 0.88 1.12 -0.06 6.16 0.00 -1.08 -3.03 119.26 123.24 3adn h ALA 271 Ca 0.10 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3adn h ALA 271 Cb 0.41 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3adn h ALA 271 CO 0.01 0.56 0.47 0.00 0.00 0.00 0.00 179.25 180.30 3adn h ALA 272 N 1.27 1.55 -0.00 0.00 0.00 -1.14 0.40 119.26 121.34 3adn h ALA 272 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3adn h ALA 272 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3adn h ALA 272 CO 0.02 -0.50 -0.17 1.19 0.00 0.00 0.00 179.25 179.79 3adn n PHE 273 N -2.91 0.00 -2.74 0.00 3.72 -1.15 0.68 117.46 115.06 3adn n PHE 273 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 3adn n PHE 273 Cb 0.53 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 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 -2.77 2.99 0.18 4.37 0.00 0.14 -4.88 121.76 121.78 3adn s ALA 274 Ca 0.20 -1.80 -0.27 0.00 0.00 0.00 0.00 51.96 50.09 3adn s ALA 274 Cb 0.19 -4.06 -0.08 0.00 0.00 0.00 0.00 23.12 19.17 3adn s ALA 274 CO 0.55 -3.02 0.83 -0.51 0.00 0.00 0.00 175.76 173.60 3adn s LEU 275 N 4.57 4.60 0.48 0.00 1.43 -1.26 -4.94 118.68 123.56 3adn s LEU 275 Ca 0.29 1.73 -0.24 0.00 -1.03 0.00 0.00 54.13 54.88 3adn s LEU 275 Cb -0.12 -3.39 -0.07 0.00 0.03 0.00 0.00 46.19 42.64 3adn s LEU 275 CO 0.09 0.17 1.36 -2.16 0.23 0.00 0.00 176.35 176.03 3adn s PRO 276 N -1.02 3.52 0.25 1.29 0.04 -1.26 -4.77 135.00 133.05 3adn s PRO 276 Ca 0.38 2.25 -0.08 0.00 0.04 0.00 0.00 61.00 63.59 3adn s PRO 276 Cb -0.24 -2.49 0.41 0.00 0.04 0.00 0.00 34.50 32.22 3adn s PRO 276 CO 0.28 -0.90 1.44 0.94 0.04 0.00 0.00 177.00 178.80 3adn n GLN 277 N -0.51 -0.09 -0.37 4.56 -0.06 -1.26 -1.30 117.38 118.35 3adn n GLN 277 Ca 0.07 1.43 0.02 0.00 -2.00 0.00 0.00 57.00 56.52 3adn n GLN 277 Cb 0.44 -2.14 0.16 0.00 -4.06 0.00 0.00 30.24 24.64 3adn n GLN 277 CO 0.00 0.00 0.00 0.10 -0.20 0.00 0.00 177.06 176.96 3adn h TYR 278 N 0.00 1.22 -0.37 3.69 -0.00 -2.00 -0.38 116.97 119.13 3adn h TYR 278 Ca 0.43 0.03 -0.07 0.00 -0.00 0.00 0.00 58.73 59.13 3adn h TYR 278 Cb 0.66 -0.40 -0.02 0.00 -0.00 0.00 0.00 36.73 36.97 3adn h TYR 278 CO -0.72 0.66 -0.04 1.25 -0.00 0.00 0.00 178.16 179.32 3adn h LEU 279 N 1.22 0.58 -0.13 0.10 6.46 -1.55 -1.29 115.31 120.71 3adn h LEU 279 Ca 0.42 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 58.00 3adn h LEU 279 Cb 0.10 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 3adn h LEU 279 CO -0.15 0.68 -0.09 1.56 -0.62 0.00 0.00 178.44 179.82 3adn h GLN 280 N 0.57 0.28 -0.54 1.25 4.20 -1.09 -2.92 115.11 116.86 3adn h GLN 280 Ca 0.11 -0.13 0.05 0.00 0.06 0.00 0.00 58.65 58.74 3adn h GLN 280 Cb 0.43 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.16 3adn h GLN 280 CO 0.02 0.65 0.27 -0.44 -0.67 0.00 0.00 178.83 178.66 3adn h ASP 281 N -0.08 0.38 -0.19 1.46 3.32 -0.96 -0.28 116.42 120.08 3adn h ASP 281 Ca 0.03 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.16 3adn h ASP 281 Cb 0.58 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3adn h ASP 281 CO 0.02 0.26 0.37 0.00 -1.72 0.00 0.00 179.24 178.17 3adn h ALA 282 N 1.30 1.69 -2.79 3.45 0.00 -1.11 -3.41 119.26 118.39 3adn h ALA 282 Ca 0.24 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.52 3adn h ALA 282 Cb 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3adn h ALA 282 CO -0.17 -0.46 -0.44 -0.51 0.00 0.00 0.00 179.25 177.67 3adn s LEU 283 N -6.60 4.35 0.00 0.00 1.43 -0.12 -4.89 118.68 112.85 3adn s LEU 283 Ca -0.04 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 3adn s LEU 283 Cb 0.12 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.52 3adn s LEU 283 CO 0.41 0.21 0.00 0.00 0.23 0.00 0.00 176.35 177.20 3adn n ALA 284 N 0.71 0.00 -0.06 4.21 0.00 -1.26 -4.95 120.51 119.16 3adn n ALA 284 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 3adn n ALA 284 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 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 1.40 -0.31 0.00 3.41 -1.26 -5.17 113.62 111.68 3adn n SER 285 Ca 0.00 0.44 0.04 0.00 -0.26 0.00 0.00 58.87 59.09 3adn n SER 285 Cb 0.00 -0.75 0.03 0.00 -0.26 0.00 0.00 64.21 63.24 3adn n SER 285 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88