#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqw n GLN 6 N 0.00 1.59 0.18 1.20 1.13 -1.26 -4.94 117.38 115.28 2qqw n GLN 6 Ca 0.00 -4.02 0.14 0.00 -1.94 0.00 0.00 57.00 51.17 2qqw n GLN 6 Cb 0.00 -1.87 0.61 0.00 0.11 0.00 0.00 30.24 29.09 2qqw n GLN 6 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2qqw h PRO 7 N 4.48 0.00 0.00 -1.09 0.13 -2.01 -2.91 132.00 130.60 2qqw h PRO 7 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2qqw h PRO 7 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2qqw h PRO 7 CO 0.65 0.00 -1.42 0.66 -0.23 0.00 0.00 178.00 177.66 2qqw n TYR 8 N -2.48 0.00 -1.91 1.56 4.01 -1.26 -4.69 117.16 112.40 2qqw n TYR 8 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 2qqw n TYR 8 Cb 0.19 -0.21 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 2qqw n TYR 8 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2qqw s ARG 9 N -3.20 4.20 0.36 -0.72 0.52 -1.10 -3.83 118.95 115.17 2qqw s ARG 9 Ca 0.01 2.44 -0.18 0.00 -0.52 0.00 0.00 55.73 57.48 2qqw s ARG 9 Cb 0.15 -3.05 -0.10 0.00 0.52 0.00 0.00 34.95 32.48 2qqw s ARG 9 CO 0.88 -0.48 0.82 0.95 0.02 0.00 0.00 175.30 177.49 2qqw s THR 10 N -0.42 4.54 -0.56 0.02 -4.23 -1.26 -4.80 115.64 108.93 2qqw s THR 10 Ca 0.58 1.21 0.23 0.00 -1.18 0.00 0.00 61.69 62.53 2qqw s THR 10 Cb -0.44 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 69.73 2qqw s THR 10 CO 0.51 -0.19 1.15 0.61 -0.54 0.00 0.00 174.62 176.16 2qqw n GLY 11 N -0.35 -1.33 0.24 3.99 0.00 -1.26 -4.60 105.19 101.87 2qqw n GLY 11 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2qqw n GLY 11 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2qqw n PHE 12 N -2.13 0.00 -3.92 1.61 1.16 -1.26 -0.33 117.46 112.58 2qqw n PHE 12 Ca 0.02 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.29 2qqw n PHE 12 Cb 0.46 0.06 -0.04 0.00 -1.61 0.00 0.00 39.48 38.34 2qqw n PHE 12 CO 0.00 0.00 0.00 -1.01 -1.87 0.00 0.00 176.76 173.88 2qqw s HIS 13 N 0.00 3.51 -0.01 2.97 3.76 -1.26 -4.87 115.29 119.39 2qqw s HIS 13 Ca 0.00 0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.87 2qqw s HIS 13 Cb 0.00 -1.76 -0.06 0.00 1.11 0.00 0.00 32.58 31.87 2qqw s HIS 13 CO 0.00 0.60 1.52 0.12 -0.85 0.00 0.00 174.74 176.12 2qqw s PHE 14 N -1.47 2.50 -0.10 1.40 5.36 -1.25 -4.90 117.98 119.53 2qqw s PHE 14 Ca 0.33 0.54 -0.23 0.00 -0.96 0.00 0.00 56.93 56.62 2qqw s PHE 14 Cb -0.13 -3.79 0.05 0.00 -0.34 0.00 0.00 43.02 38.82 2qqw s PHE 14 CO 0.26 -3.10 0.54 1.14 -1.46 0.00 0.00 175.22 172.60 2qqw s GLN 15 N 3.02 0.81 0.79 10.12 -2.07 -1.26 -1.24 119.66 129.82 2qqw s GLN 15 Ca 0.68 0.33 -0.14 0.00 -1.82 0.00 0.00 55.36 54.41 2qqw s GLN 15 Cb -0.33 0.38 0.07 0.00 -1.09 0.00 0.00 33.01 32.04 2qqw s GLN 15 CO 0.28 -0.20 1.20 -0.35 -1.32 0.00 0.00 175.29 174.90 2qqw n PRO 16 N 1.69 0.31 0.01 9.60 -0.04 -1.26 -4.68 135.00 140.63 2qqw n PRO 16 Ca -0.18 0.18 0.23 0.00 -0.04 0.00 0.00 63.50 63.69 2qqw n PRO 16 Cb 0.56 -2.44 0.69 0.00 -0.04 0.00 0.00 33.50 32.28 2qqw n PRO 16 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2qqw h PRO 17 N -0.70 0.00 -2.64 0.54 0.11 -1.87 -3.44 132.00 123.99 2qqw h PRO 17 Ca -0.47 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.77 2qqw h PRO 17 Cb 1.31 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.35 2qqw h PRO 17 CO 0.47 0.00 0.37 -1.59 -0.21 0.00 0.00 178.00 177.04 2qqw s LYS 18 N -4.60 1.46 0.56 1.05 -2.85 -1.26 -5.04 119.74 109.06 2qqw s LYS 18 Ca -0.04 -0.80 0.00 0.00 -1.00 0.00 0.00 55.97 54.13 2qqw s LYS 18 Cb 0.16 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.43 2qqw s LYS 18 CO 0.55 -0.67 0.00 0.09 0.10 0.00 0.00 175.35 175.42 2qqw n ASN 19 N -0.46 -0.66 -4.73 0.03 3.02 0.17 -4.92 115.26 107.70 2qqw n ASN 19 Ca -0.05 0.07 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 2qqw n ASN 19 Cb 0.60 -0.20 -0.04 0.00 -0.61 0.00 0.00 39.78 39.53 2qqw n ASN 19 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2qqw s TRP 20 N -0.56 3.77 -0.02 3.10 -0.11 -0.95 -2.17 118.94 122.01 2qqw s TRP 20 Ca 0.00 1.76 0.02 0.00 1.22 0.00 0.00 56.10 59.11 2qqw s TRP 20 Cb 0.00 -3.09 -0.00 0.00 -1.50 0.00 0.00 33.47 28.88 2qqw s TRP 20 CO 0.00 0.06 -0.08 1.41 -4.62 0.00 0.00 176.95 173.72 2qqw s MET 21 N -0.04 0.80 0.00 5.86 1.75 0.64 -2.08 119.30 126.23 2qqw s MET 21 Ca 0.47 -0.29 0.00 0.00 -1.25 0.00 0.00 55.69 54.63 2qqw s MET 21 Cb -0.24 -0.76 0.00 0.00 2.84 0.00 0.00 34.83 36.66 2qqw s MET 21 CO 0.31 0.14 0.00 0.27 -0.65 0.00 0.00 175.02 175.08 2qqw n ASN 22 N 3.11 0.00 -4.49 1.11 6.94 -0.94 -4.36 115.26 116.63 2qqw n ASN 22 Ca -0.16 0.00 -0.52 0.00 -0.02 0.00 0.00 54.58 53.88 2qqw n ASN 22 Cb 0.56 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.92 2qqw n ASN 22 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qqw n ALA 23 N -3.00 -2.48 -1.82 -2.53 0.00 -1.26 -4.46 120.51 104.96 2qqw n ALA 23 Ca 0.00 0.50 -0.41 0.00 0.00 0.00 0.00 53.44 53.54 2qqw n ALA 23 Cb 0.00 -1.80 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 2qqw n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qqw s PRO 24 N -0.45 4.33 0.10 0.00 0.04 -1.26 -1.86 135.00 135.91 2qqw s PRO 24 Ca 0.77 2.23 0.10 0.00 0.04 0.00 0.00 61.00 64.14 2qqw s PRO 24 Cb -1.03 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 2qqw s PRO 24 CO 0.55 -0.26 -0.27 -0.80 0.04 0.00 0.00 177.00 176.26 2qqw s ASN 25 N -0.19 3.26 -1.19 6.66 0.02 0.23 -4.84 114.94 118.88 2qqw s ASN 25 Ca 0.52 -0.70 -0.02 0.00 -1.02 0.00 0.00 52.86 51.64 2qqw s ASN 25 Cb -0.40 -0.24 0.02 0.00 0.02 0.00 0.00 41.25 40.65 2qqw s ASN 25 CO 0.49 0.20 0.04 0.61 0.02 0.00 0.00 177.10 178.47 2qqw n GLY 26 N 1.18 -0.11 3.78 0.66 0.00 -0.83 -1.54 105.19 108.32 2qqw n GLY 26 Ca -0.18 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 2qqw n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qqw s PRO 27 N -6.23 3.19 0.09 1.61 0.04 -1.26 -4.46 135.00 127.98 2qqw s PRO 27 Ca 0.06 1.47 -0.26 0.00 0.04 0.00 0.00 61.00 62.31 2qqw s PRO 27 Cb -0.04 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.59 2qqw s PRO 27 CO 0.75 -0.95 1.10 0.00 0.04 0.00 0.00 177.00 177.94 2qqw s MET 28 N -3.64 0.90 -0.07 4.56 0.23 -1.15 -4.45 119.30 115.68 2qqw s MET 28 Ca 0.69 -0.52 0.03 0.00 -1.03 0.00 0.00 55.69 54.87 2qqw s MET 28 Cb -0.21 0.29 0.00 0.00 -1.53 0.00 0.00 34.83 33.39 2qqw s MET 28 CO 0.32 -0.42 -0.17 -1.50 -2.03 0.00 0.00 175.02 171.22 2qqw s ILE 29 N -2.75 1.52 -0.03 3.16 2.07 -1.26 -1.52 121.20 122.38 2qqw s ILE 29 Ca 0.15 -0.72 -0.00 0.00 -1.41 0.00 0.00 60.65 58.67 2qqw s ILE 29 Cb 0.01 -1.33 0.03 0.00 0.13 0.00 0.00 42.46 41.29 2qqw s ILE 29 CO 0.01 0.44 0.04 -0.47 -1.91 0.00 0.00 174.94 173.04 2qqw s TYR 30 N 0.40 0.04 -1.36 3.50 5.04 -0.42 -4.87 117.35 119.68 2qqw s TYR 30 Ca -0.13 0.16 -0.01 0.00 -2.44 0.00 0.00 57.07 54.65 2qqw s TYR 30 Cb -0.15 -0.30 0.00 0.00 0.35 0.00 0.00 41.96 41.86 2qqw s TYR 30 CO 0.05 -0.12 0.58 1.63 -1.34 0.00 0.00 175.55 176.36 2qqw n LYS 31 N 4.46 -4.21 -2.13 4.97 5.02 -1.26 -1.51 118.16 123.51 2qqw n LYS 31 Ca -0.22 0.52 -0.20 0.00 -2.02 0.00 0.00 58.31 56.40 2qqw n LYS 31 Cb 0.50 -4.90 -0.03 0.00 -0.02 0.00 0.00 35.03 30.57 2qqw n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qqw n GLY 32 N -1.75 0.30 3.06 0.72 0.00 -1.26 -4.99 105.19 101.27 2qqw n GLY 32 Ca -0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 2qqw n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qqw s ILE 33 N -2.88 1.51 -0.00 -0.61 1.01 -0.57 -4.88 121.20 114.78 2qqw s ILE 33 Ca 0.00 -0.65 -0.28 0.00 0.00 0.00 0.00 60.65 59.72 2qqw s ILE 33 Cb 0.00 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 2qqw s ILE 33 CO 0.00 0.44 0.91 -0.31 0.00 0.00 0.00 174.94 175.98 2qqw s TYR 34 N 1.02 3.66 -0.04 3.97 2.02 -0.25 -1.30 117.35 126.43 2qqw s TYR 34 Ca -0.06 1.60 0.03 0.00 -0.37 0.00 0.00 57.07 58.27 2qqw s TYR 34 Cb -0.15 -3.03 -0.03 0.00 -0.40 0.00 0.00 41.96 38.35 2qqw s TYR 34 CO -0.02 0.04 -0.11 -1.01 -1.57 0.00 0.00 175.55 172.87 2qqw s HIS 35 N 0.84 2.79 -0.09 2.71 3.76 -0.58 -1.11 115.29 123.62 2qqw s HIS 35 Ca 0.48 -0.09 0.01 0.00 -0.15 0.00 0.00 55.06 55.31 2qqw s HIS 35 Cb -0.20 -1.64 0.02 0.00 1.11 0.00 0.00 32.58 31.86 2qqw s HIS 35 CO 0.26 0.26 -0.09 -1.17 -0.85 0.00 0.00 174.74 173.14 2qqw s LEU 36 N -0.87 1.40 0.31 0.89 2.96 -0.73 -2.94 118.68 119.69 2qqw s LEU 36 Ca 0.13 -0.28 0.07 0.00 -0.22 0.00 0.00 54.13 53.82 2qqw s LEU 36 Cb -0.11 -0.80 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 2qqw s LEU 36 CO 0.02 -0.05 0.28 -0.36 -1.32 0.00 0.00 176.35 174.92 2qqw s PHE 37 N 1.18 2.99 -0.19 5.38 0.08 -0.59 -1.26 117.98 125.58 2qqw s PHE 37 Ca -0.05 -0.24 -0.28 0.00 0.12 0.00 0.00 56.93 56.49 2qqw s PHE 37 Cb -0.14 -1.70 0.09 0.00 -0.57 0.00 0.00 43.02 40.70 2qqw s PHE 37 CO -0.02 0.27 0.81 1.52 -0.10 0.00 0.00 175.22 177.69 2qqw s TYR 38 N -2.24 -0.63 -0.23 0.36 1.13 -0.68 0.75 117.35 115.81 2qqw s TYR 38 Ca 0.39 1.34 -0.32 0.00 -1.41 0.00 0.00 57.07 57.07 2qqw s TYR 38 Cb -0.07 0.36 -0.09 0.00 -1.10 0.00 0.00 41.96 41.06 2qqw s TYR 38 CO 0.26 -0.42 2.14 1.04 -2.51 0.00 0.00 175.55 176.07 2qqw n GLN 39 N 1.75 1.72 -4.44 -3.49 1.13 -0.78 -1.05 117.38 112.22 2qqw n GLN 39 Ca -0.15 0.52 -0.22 0.00 -1.94 0.00 0.00 57.00 55.21 2qqw n GLN 39 Cb 0.56 -2.85 -0.14 0.00 0.11 0.00 0.00 30.24 27.93 2qqw n GLN 39 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 2qqw s TRP 40 N 7.05 1.38 -0.47 1.08 -0.00 0.60 -2.22 118.94 126.36 2qqw s TRP 40 Ca 1.02 -0.35 -0.10 0.00 -0.00 0.00 0.00 56.10 56.67 2qqw s TRP 40 Cb -0.59 -0.82 0.11 0.00 -0.00 0.00 0.00 33.47 32.17 2qqw s TRP 40 CO 0.43 0.05 0.35 1.21 -0.00 0.00 0.00 176.95 178.99 2qqw s ASN 41 N -1.11 5.76 0.55 5.86 3.84 -0.88 -1.40 114.94 127.55 2qqw s ASN 41 Ca 0.03 -1.81 0.29 0.00 0.21 0.00 0.00 52.86 51.58 2qqw s ASN 41 Cb -0.08 -2.03 1.62 0.00 -0.55 0.00 0.00 41.25 40.21 2qqw s ASN 41 CO 0.01 -0.68 2.15 1.55 -2.79 0.00 0.00 177.10 177.34 2qqw h PRO 42 N 8.50 0.00 0.00 0.43 0.13 -1.81 -3.33 132.00 135.92 2qqw h PRO 42 Ca -0.23 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 2qqw h PRO 42 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2qqw h PRO 42 CO 0.86 0.07 -0.73 0.87 -0.23 0.00 0.00 178.00 178.84 2qqw h LYS 43 N 0.00 0.00 0.00 0.86 1.79 -1.90 -3.50 116.57 113.81 2qqw h LYS 43 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2qqw h LYS 43 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2qqw h LYS 43 CO 0.01 0.33 0.00 0.41 -1.08 0.00 0.00 179.45 179.12 2qqw n GLY 44 N 1.56 4.46 0.65 3.86 0.00 -1.25 -5.05 105.19 109.42 2qqw n GLY 44 Ca -0.15 -2.19 0.07 0.00 0.00 0.00 0.00 46.02 43.75 2qqw n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqw n ALA 45 N -3.00 2.96 -2.57 4.61 0.00 -1.26 -2.23 120.51 119.01 2qqw n ALA 45 Ca 0.00 -2.57 -0.28 0.00 0.00 0.00 0.00 53.44 50.59 2qqw n ALA 45 Cb 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 19.45 18.78 2qqw n ALA 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2qqw s VAL 46 N -2.92 1.85 0.26 0.00 -7.23 -1.26 -4.54 120.40 106.57 2qqw s VAL 46 Ca 0.39 -1.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.41 2qqw s VAL 46 Cb 0.33 -2.70 -0.11 0.00 0.56 0.00 0.00 36.38 34.46 2qqw s VAL 46 CO 0.05 0.00 1.54 0.86 -0.31 0.00 0.00 175.10 177.24 2qqw s TRP 47 N -2.72 2.88 0.00 2.82 -0.00 -1.26 -4.67 118.94 115.99 2qqw s TRP 47 Ca 0.30 0.84 0.00 0.00 -0.00 0.00 0.00 56.10 57.23 2qqw s TRP 47 Cb 0.05 -3.97 0.00 0.00 -0.00 0.00 0.00 33.47 29.54 2qqw s TRP 47 CO 0.16 -3.28 0.00 0.41 -0.00 0.00 0.00 176.95 174.24 2qqw n GLY 48 N 2.37 3.44 3.81 5.86 0.00 -1.26 -5.04 105.19 114.37 2qqw n GLY 48 Ca 0.08 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 2qqw n GLY 48 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qqw n ASN 49 N 0.00 -1.06 -4.64 1.61 5.03 -1.26 -4.25 115.26 110.68 2qqw n ASN 49 Ca 0.00 -0.89 -0.43 0.00 0.87 0.00 0.00 54.58 54.13 2qqw n ASN 49 Cb 0.00 -3.67 -0.02 0.00 -1.02 0.00 0.00 39.78 35.07 2qqw n ASN 49 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2qqw s ILE 50 N -3.75 4.21 0.32 2.41 1.10 -1.26 -4.42 121.20 119.82 2qqw s ILE 50 Ca 0.05 1.41 0.10 0.00 -0.51 0.00 0.00 60.65 61.70 2qqw s ILE 50 Cb -0.02 -4.11 -0.06 0.00 0.15 0.00 0.00 42.46 38.42 2qqw s ILE 50 CO 0.84 -0.35 -0.13 0.68 -2.11 0.00 0.00 174.94 173.87 2qqw s VAL 51 N 4.03 2.32 -0.89 4.00 -7.23 -0.50 -2.62 120.40 119.52 2qqw s VAL 51 Ca 0.55 -2.27 -0.21 0.00 -1.81 0.00 0.00 61.98 58.24 2qqw s VAL 51 Cb -0.18 -2.53 0.10 0.00 0.56 0.00 0.00 36.38 34.33 2qqw s VAL 51 CO 0.19 -0.27 1.16 0.26 -0.31 0.00 0.00 175.10 176.14 2qqw s TRP 52 N -2.58 2.89 0.92 2.82 0.52 -0.32 -0.29 118.94 122.90 2qqw s TRP 52 Ca 0.32 -1.08 -0.11 0.00 0.02 0.00 0.00 56.10 55.24 2qqw s TRP 52 Cb 0.00 -4.38 0.14 0.00 -1.15 0.00 0.00 33.47 28.09 2qqw s TRP 52 CO 0.16 -1.63 1.09 0.00 0.02 0.00 0.00 176.95 176.59 2qqw s ALA 53 N 3.49 1.38 -0.09 0.98 0.00 -0.22 -1.30 121.76 126.00 2qqw s ALA 53 Ca 0.33 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 2qqw s ALA 53 Cb -0.06 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.86 2qqw s ALA 53 CO -0.05 -2.51 0.23 -1.58 0.00 0.00 0.00 175.76 171.84 2qqw s HIS 54 N -2.85 -0.27 0.06 0.00 2.46 -1.26 -1.68 115.29 111.75 2qqw s HIS 54 Ca 0.64 0.67 -0.06 0.00 0.47 0.00 0.00 55.06 56.78 2qqw s HIS 54 Cb -0.19 0.06 -0.01 0.00 -0.13 0.00 0.00 32.58 32.30 2qqw s HIS 54 CO 0.58 -0.17 0.11 -1.12 -2.47 0.00 0.00 174.74 171.67 2qqw s SER 55 N 0.69 0.21 0.15 9.88 0.01 -0.39 -1.98 113.70 122.27 2qqw s SER 55 Ca -0.05 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 56.60 2qqw s SER 55 Cb -0.06 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 2qqw s SER 55 CO -0.04 -0.61 -0.08 0.42 0.41 0.00 0.00 173.24 173.34 2qqw s THR 56 N -3.31 1.05 0.07 1.44 -4.23 -0.74 -1.78 115.64 108.15 2qqw s THR 56 Ca 0.01 -2.03 -0.21 0.00 -1.18 0.00 0.00 61.69 58.28 2qqw s THR 56 Cb 0.03 -1.89 0.05 0.00 1.34 0.00 0.00 72.50 72.03 2qqw s THR 56 CO -0.08 -0.71 0.49 -0.55 -0.54 0.00 0.00 174.62 173.23 2qqw s SER 57 N -3.16 -0.39 0.00 3.99 0.15 -0.27 -0.76 113.70 113.26 2qqw s SER 57 Ca 0.18 0.03 0.19 0.00 0.70 0.00 0.00 55.95 57.05 2qqw s SER 57 Cb 0.03 0.49 -0.06 0.00 -1.71 0.00 0.00 66.02 64.77 2qqw s SER 57 CO 0.01 -0.76 0.92 0.35 1.20 0.00 0.00 173.24 174.95 2qqw n THR 58 N 0.21 0.00 -0.93 6.45 -2.24 -1.26 -1.09 114.28 115.41 2qqw n THR 58 Ca -0.18 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2qqw n THR 58 Cb 0.61 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 2qqw n THR 58 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2qqw n ASP 59 N -0.45 0.02 0.00 3.42 5.68 -1.26 -4.93 116.55 119.04 2qqw n ASP 59 Ca 0.07 -0.95 0.00 0.00 -0.50 0.00 0.00 54.79 53.40 2qqw n ASP 59 Cb 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 2qqw n ASP 59 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2qqw n LEU 60 N -0.00 0.27 -0.07 -2.12 4.77 -1.26 -4.76 117.00 113.82 2qqw n LEU 60 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2qqw n LEU 60 Cb 0.23 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 2qqw n LEU 60 CO 0.00 -0.13 -0.97 -0.38 -1.33 0.00 0.00 177.39 174.58 2qqw n ILE 61 N -2.00 0.79 -3.90 -0.08 2.08 -1.26 -4.80 119.36 110.19 2qqw n ILE 61 Ca 0.00 -0.26 -0.35 0.00 0.56 0.00 0.00 62.75 62.70 2qqw n ILE 61 Cb 0.00 -1.25 -0.09 0.00 -0.75 0.00 0.00 39.64 37.55 2qqw n ILE 61 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 2qqw s ASN 62 N -5.70 5.93 -0.06 4.38 0.01 -1.26 -4.65 114.94 113.59 2qqw s ASN 62 Ca -0.19 0.19 0.03 0.00 -0.71 0.00 0.00 52.86 52.17 2qqw s ASN 62 Cb 0.06 -2.00 0.01 0.00 0.41 0.00 0.00 41.25 39.73 2qqw s ASN 62 CO 0.29 0.21 -0.13 0.26 -1.51 0.00 0.00 177.10 176.22 2qqw s TRP 63 N 0.14 1.51 -0.15 2.20 0.52 0.24 -4.34 118.94 119.06 2qqw s TRP 63 Ca 0.07 -0.53 -0.07 0.00 0.02 0.00 0.00 56.10 55.59 2qqw s TRP 63 Cb -0.12 -1.09 -0.04 0.00 -1.15 0.00 0.00 33.47 31.08 2qqw s TRP 63 CO -0.00 -0.26 0.09 -0.51 0.02 0.00 0.00 176.95 176.29 2qqw s ASP 64 N 0.52 5.89 0.75 2.95 1.01 0.06 -2.45 116.67 125.40 2qqw s ASP 64 Ca -0.12 0.23 -0.11 0.00 0.71 0.00 0.00 52.55 53.26 2qqw s ASP 64 Cb -0.15 -1.93 0.04 0.00 1.01 0.00 0.00 42.92 41.89 2qqw s ASP 64 CO 0.04 0.28 1.08 -2.16 0.21 0.00 0.00 175.17 174.62 2qqw s PRO 65 N -0.27 2.44 0.03 8.23 0.04 -1.26 -1.79 135.00 142.41 2qqw s PRO 65 Ca 0.09 0.83 -0.22 0.00 0.04 0.00 0.00 61.00 61.75 2qqw s PRO 65 Cb -0.12 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.53 2qqw s PRO 65 CO 0.01 -1.42 0.49 -1.01 0.04 0.00 0.00 177.00 175.11 2qqw s HIS 66 N -3.07 -0.39 0.63 0.56 3.76 -0.84 -4.88 115.29 111.06 2qqw s HIS 66 Ca 0.60 0.47 -0.18 0.00 -0.15 0.00 0.00 55.06 55.80 2qqw s HIS 66 Cb -0.15 0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.81 2qqw s HIS 66 CO 0.55 -0.59 1.19 -0.35 -0.85 0.00 0.00 174.74 174.68 2qqw n PRO 67 N 0.60 1.08 -1.49 8.40 -0.04 -1.26 -4.08 135.00 138.21 2qqw n PRO 67 Ca -0.19 0.42 -0.50 0.00 -0.04 0.00 0.00 63.50 63.19 2qqw n PRO 67 Cb 0.59 -2.41 -0.04 0.00 -0.04 0.00 0.00 33.50 31.60 2qqw n PRO 67 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2qqw n PRO 68 N -1.55 0.48 -0.03 0.54 -0.02 -1.26 -4.53 135.00 128.63 2qqw n PRO 68 Ca 0.15 0.17 -0.17 0.00 -2.02 0.00 0.00 63.50 61.63 2qqw n PRO 68 Cb 0.48 -1.44 -0.14 0.00 -0.02 0.00 0.00 33.50 32.38 2qqw n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qqw n ALA 69 N 0.69 1.14 -3.79 3.55 0.00 -0.42 -4.88 120.51 116.80 2qqw n ALA 69 Ca 0.16 -0.75 -0.27 0.00 0.00 0.00 0.00 53.44 52.58 2qqw n ALA 69 Cb 0.23 -0.61 -0.17 0.00 0.00 0.00 0.00 19.45 18.90 2qqw n ALA 69 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qqw s ILE 70 N -2.56 0.70 0.04 0.00 1.01 -1.25 -4.39 121.20 114.76 2qqw s ILE 70 Ca -0.19 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 2qqw s ILE 70 Cb 0.07 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 2qqw s ILE 70 CO 0.76 -0.05 -0.01 0.72 0.00 0.00 0.00 174.94 176.37 2qqw s PHE 71 N 1.79 0.41 -0.12 3.97 -0.12 -1.26 -1.18 117.98 121.47 2qqw s PHE 71 Ca 0.00 -0.86 -0.38 0.00 -0.05 0.00 0.00 56.93 55.64 2qqw s PHE 71 Cb -0.16 -0.30 -0.15 0.00 -0.63 0.00 0.00 43.02 41.77 2qqw s PHE 71 CO -0.07 -0.34 1.64 -0.35 -0.05 0.00 0.00 175.22 176.05 2qqw n PRO 72 N 0.53 1.36 0.00 1.99 -0.04 -1.26 -4.84 135.00 132.73 2qqw n PRO 72 Ca -0.17 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2qqw n PRO 72 Cb 0.59 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 2qqw n PRO 72 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2qqw n SER 73 N 4.63 0.00 -4.05 3.54 7.64 -1.26 -4.92 113.62 119.19 2qqw n SER 73 Ca 0.23 -0.02 -0.10 0.00 1.01 0.00 0.00 58.87 59.99 2qqw n SER 73 Cb 0.18 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.31 2qqw n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qqw s ALA 74 N 0.00 0.27 0.31 -0.43 0.00 -1.26 -5.00 121.76 115.64 2qqw s ALA 74 Ca 0.00 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 50.88 2qqw s ALA 74 Cb 0.00 1.10 0.73 0.00 0.00 0.00 0.00 23.12 24.95 2qqw s ALA 74 CO 0.00 -0.71 1.80 -1.35 0.00 0.00 0.00 175.76 175.50 2qqw h PRO 75 N 2.46 0.76 0.00 0.00 0.11 -1.97 -0.58 132.00 132.78 2qqw h PRO 75 Ca -0.31 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2qqw h PRO 75 Cb 1.24 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2qqw h PRO 75 CO 0.45 0.50 0.00 1.97 -0.21 0.00 0.00 178.00 180.71 2qqw n PHE 76 N -4.71 0.00 -1.92 0.65 1.16 -1.26 -3.63 117.46 107.75 2qqw n PHE 76 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.80 2qqw n PHE 76 Cb 0.54 -0.40 0.00 0.00 -1.61 0.00 0.00 39.48 38.01 2qqw n PHE 76 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 2qqw n ASP 77 N -1.40 0.00 -0.06 5.98 5.68 -0.89 -3.75 116.55 122.11 2qqw n ASP 77 Ca 0.07 -1.58 0.15 0.00 -0.50 0.00 0.00 54.79 52.93 2qqw n ASP 77 Cb 0.21 -0.12 0.56 0.00 -1.14 0.00 0.00 41.12 40.63 2qqw n ASP 77 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2qqw h ILE 78 N 5.93 0.84 -0.23 2.12 6.09 -1.00 -1.63 117.51 129.63 2qqw h ILE 78 Ca 0.00 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 2qqw h ILE 78 Cb 1.23 0.53 0.00 0.00 0.47 0.00 0.00 36.82 39.06 2qqw h ILE 78 CO 0.00 0.05 0.00 0.59 -3.07 0.00 0.00 178.15 175.72 2qqw n ASN 79 N -4.45 2.94 0.00 2.19 3.02 -0.41 -4.81 115.26 113.74 2qqw n ASN 79 Ca 0.10 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 2qqw n ASN 79 Cb 0.45 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 2qqw n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qqw n GLY 80 N 1.39 3.64 2.82 7.41 0.00 -0.61 -4.79 105.19 115.05 2qqw n GLY 80 Ca 0.17 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 2qqw n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqw n TRP 82 N 2.99 -3.04 -0.63 0.00 7.02 -0.55 -4.55 117.44 118.68 2qqw n TRP 82 Ca 0.11 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.30 2qqw n TRP 82 Cb 0.34 0.00 0.22 0.00 -2.42 0.00 0.00 31.31 29.45 2qqw n TRP 82 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2qqw s SER 83 N -1.00 1.69 0.00 -0.99 0.01 -1.26 -4.19 113.70 107.96 2qqw s SER 83 Ca 0.00 1.71 0.00 0.00 1.31 0.00 0.00 55.95 58.97 2qqw s SER 83 Cb 0.00 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2qqw s SER 83 CO 0.00 -3.79 0.00 0.61 0.41 0.00 0.00 173.24 170.47 2qqw n GLY 84 N 0.49 -0.93 3.05 3.44 0.00 -1.26 -1.99 105.19 107.99 2qqw n GLY 84 Ca 0.06 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 2qqw n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qqw s SER 85 N 0.00 0.39 -0.13 1.61 0.01 0.20 -1.96 113.70 113.82 2qqw s SER 85 Ca 0.00 -0.81 -0.07 0.00 1.31 0.00 0.00 55.95 56.38 2qqw s SER 85 Cb 0.00 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.35 2qqw s SER 85 CO 0.00 -0.49 0.12 0.00 0.41 0.00 0.00 173.24 173.28 2qqw s ALA 86 N -2.99 3.77 -0.04 1.44 0.00 -1.26 -1.26 121.76 121.41 2qqw s ALA 86 Ca -0.02 -0.67 0.05 0.00 0.00 0.00 0.00 51.96 51.32 2qqw s ALA 86 Cb 0.01 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 2qqw s ALA 86 CO -0.07 0.51 -0.17 0.99 0.00 0.00 0.00 175.76 177.03 2qqw s THR 87 N -0.70 2.86 -0.45 0.00 2.01 0.95 -4.65 115.64 115.65 2qqw s THR 87 Ca 0.13 -0.82 -0.16 0.00 0.31 0.00 0.00 61.69 61.15 2qqw s THR 87 Cb -0.12 -2.10 0.05 0.00 0.01 0.00 0.00 72.50 70.34 2qqw s THR 87 CO 0.03 0.58 0.40 -0.63 -0.69 0.00 0.00 174.62 174.31 2qqw s ILE 88 N -0.72 5.18 0.59 1.82 -1.09 -1.26 -0.50 121.20 125.23 2qqw s ILE 88 Ca 0.11 -0.80 -0.19 0.00 -2.23 0.00 0.00 60.65 57.54 2qqw s ILE 88 Cb -0.10 -4.09 -0.03 0.00 -1.58 0.00 0.00 42.46 36.66 2qqw s ILE 88 CO 0.00 -0.52 1.27 -0.76 -1.23 0.00 0.00 174.94 173.71 2qqw s LEU 89 N 1.83 3.69 0.28 2.97 1.43 0.14 -4.82 118.68 124.20 2qqw s LEU 89 Ca 0.07 2.55 0.19 0.00 -1.03 0.00 0.00 54.13 55.90 2qqw s LEU 89 Cb -0.21 -4.52 1.02 0.00 0.03 0.00 0.00 46.19 42.51 2qqw s LEU 89 CO 0.09 -1.70 1.58 -2.65 0.23 0.00 0.00 176.35 173.90 2qqw n PRO 90 N -1.52 0.12 -0.18 1.29 -0.02 -1.26 0.78 135.00 134.21 2qqw n PRO 90 Ca 0.13 0.62 0.04 0.00 -2.02 0.00 0.00 63.50 62.27 2qqw n PRO 90 Cb 0.48 -1.90 0.13 0.00 -0.02 0.00 0.00 33.50 32.19 2qqw n PRO 90 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2qqw n ASN 91 N -2.16 1.73 0.00 2.55 6.94 -1.26 -4.91 115.26 118.15 2qqw n ASN 91 Ca -0.01 -2.07 0.00 0.00 -0.02 0.00 0.00 54.58 52.48 2qqw n ASN 91 Cb 0.03 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 2qqw n ASN 91 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qqw n GLY 92 N 0.80 3.08 3.69 4.83 0.00 0.23 -5.02 105.19 112.80 2qqw n GLY 92 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2qqw n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qqw s LYS 93 N -0.53 4.23 -0.02 1.61 2.20 -1.22 -4.69 119.74 121.33 2qqw s LYS 93 Ca 0.00 2.17 -0.20 0.00 -0.36 0.00 0.00 55.97 57.57 2qqw s LYS 93 Cb 0.00 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 2qqw s LYS 93 CO 0.00 -0.66 0.59 -1.25 -0.36 0.00 0.00 175.35 173.66 2qqw s PRO 94 N 2.54 4.32 0.09 4.03 0.04 -1.26 0.28 135.00 145.04 2qqw s PRO 94 Ca 0.69 0.71 0.06 0.00 0.04 0.00 0.00 61.00 62.50 2qqw s PRO 94 Cb -0.36 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 2qqw s PRO 94 CO 0.30 0.33 -0.15 0.14 0.04 0.00 0.00 177.00 177.65 2qqw s VAL 95 N -0.04 1.27 -0.17 -0.36 -7.23 0.34 -4.39 120.40 109.81 2qqw s VAL 95 Ca 0.31 -1.48 -0.02 0.00 -1.81 0.00 0.00 61.98 58.98 2qqw s VAL 95 Cb -0.18 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.46 2qqw s VAL 95 CO 0.16 -0.27 -0.10 -0.63 -0.31 0.00 0.00 175.10 173.95 2qqw s ILE 96 N -1.56 3.07 -0.20 -0.62 1.01 -0.68 -0.04 121.20 122.18 2qqw s ILE 96 Ca 0.03 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.94 2qqw s ILE 96 Cb -0.08 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 2qqw s ILE 96 CO 0.03 0.49 0.20 -0.76 0.00 0.00 0.00 174.94 174.90 2qqw s LEU 97 N 0.91 4.20 0.06 2.97 1.43 -0.39 -0.44 118.68 127.42 2qqw s LEU 97 Ca -0.02 0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 53.32 2qqw s LEU 97 Cb -0.15 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 2qqw s LEU 97 CO -0.00 0.12 0.13 -0.72 0.23 0.00 0.00 176.35 176.10 2qqw s TYR 98 N 0.58 0.21 -0.08 0.29 -0.85 0.44 -0.63 117.35 117.32 2qqw s TYR 98 Ca 0.11 -0.59 -0.20 0.00 -0.52 0.00 0.00 57.07 55.87 2qqw s TYR 98 Cb -0.12 -0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.04 2qqw s TYR 98 CO 0.02 -0.45 0.57 0.99 -1.52 0.00 0.00 175.55 175.16 2qqw s THR 99 N -3.31 5.09 0.21 -3.49 2.01 -0.84 0.10 115.64 115.41 2qqw s THR 99 Ca 0.01 1.17 0.09 0.00 0.31 0.00 0.00 61.69 63.27 2qqw s THR 99 Cb 0.03 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2qqw s THR 99 CO -0.08 0.32 -0.09 -0.83 -0.69 0.00 0.00 174.62 173.26 2qqw s GLY 100 N 0.51 1.72 -0.38 4.40 0.00 0.19 -1.48 107.32 112.29 2qqw s GLY 100 Ca 0.31 -1.56 -0.12 0.00 0.00 0.00 0.00 44.72 43.35 2qqw s GLY 100 CO 0.14 -1.60 0.23 -0.42 0.00 0.00 0.00 173.10 171.46 2qqw s ILE 101 N -1.93 4.83 0.98 0.90 -1.09 -0.94 -1.07 121.20 122.89 2qqw s ILE 101 Ca 0.27 -0.71 -0.15 0.00 -2.23 0.00 0.00 60.65 57.83 2qqw s ILE 101 Cb -0.08 -3.66 0.18 0.00 -1.58 0.00 0.00 42.46 37.33 2qqw s ILE 101 CO 0.16 -0.21 1.18 1.51 -1.23 0.00 0.00 174.94 176.34 2qqw s ASP 102 N 1.61 2.87 0.63 3.58 1.47 -0.81 -1.29 116.67 124.73 2qqw s ASP 102 Ca 0.03 0.72 0.42 0.00 1.18 0.00 0.00 52.55 54.90 2qqw s ASP 102 Cb -0.19 -1.10 2.17 0.00 -0.34 0.00 0.00 42.92 43.46 2qqw s ASP 102 CO 0.08 -2.93 2.27 1.55 0.68 0.00 0.00 175.17 176.82 2qqw h PRO 103 N -1.76 0.00 -0.71 2.11 0.13 -1.92 0.20 132.00 130.05 2qqw h PRO 103 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2qqw h PRO 103 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2qqw h PRO 103 CO 0.50 0.00 0.01 1.63 -0.23 0.00 0.00 178.00 179.91 2qqw n LYS 104 N -3.05 3.77 -3.75 0.86 5.02 -1.26 -4.94 118.16 114.80 2qqw n LYS 104 Ca -0.02 -2.26 -0.26 0.00 -2.02 0.00 0.00 58.31 53.75 2qqw n LYS 104 Cb 0.12 -2.05 0.05 0.00 -0.02 0.00 0.00 35.03 33.13 2qqw n LYS 104 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qqw n ASN 105 N 0.43 -4.15 -4.65 4.39 3.02 0.06 -5.00 115.26 109.35 2qqw n ASN 105 Ca 0.20 -0.72 -0.34 0.00 -0.03 0.00 0.00 54.58 53.69 2qqw n ASN 105 Cb 0.94 -4.30 -0.10 0.00 -0.61 0.00 0.00 39.78 35.71 2qqw n ASN 105 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2qqw s GLN 106 N -6.30 2.87 -0.57 3.52 -0.21 -1.25 -4.74 119.66 112.97 2qqw s GLN 106 Ca 0.44 -0.49 -0.23 0.00 0.02 0.00 0.00 55.36 55.10 2qqw s GLN 106 Cb -0.21 -2.71 0.05 0.00 1.00 0.00 0.00 33.01 31.14 2qqw s GLN 106 CO 0.79 0.68 0.92 -0.65 -2.12 0.00 0.00 175.29 174.91 2qqw s GLN 107 N -1.01 3.27 0.26 2.91 -0.21 -0.22 -1.92 119.66 122.73 2qqw s GLN 107 Ca 0.14 -0.44 0.10 0.00 0.02 0.00 0.00 55.36 55.19 2qqw s GLN 107 Cb -0.11 -4.09 -0.05 0.00 1.00 0.00 0.00 33.01 29.76 2qqw s GLN 107 CO 0.04 -1.53 -0.08 0.14 -2.12 0.00 0.00 175.29 171.74 2qqw s VAL 108 N 3.85 3.08 -0.22 1.09 -7.23 -0.23 -4.45 120.40 116.29 2qqw s VAL 108 Ca 0.27 -2.05 -0.08 0.00 -1.81 0.00 0.00 61.98 58.31 2qqw s VAL 108 Cb -0.14 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2qqw s VAL 108 CO 0.17 -0.35 0.10 -1.10 -0.31 0.00 0.00 175.10 173.61 2qqw s GLN 109 N -3.50 3.93 0.09 4.82 -1.52 0.29 0.56 119.66 124.33 2qqw s GLN 109 Ca 0.30 -0.35 0.09 0.00 -1.95 0.00 0.00 55.36 53.44 2qqw s GLN 109 Cb -0.06 -3.36 -0.03 0.00 -0.22 0.00 0.00 33.01 29.34 2qqw s GLN 109 CO 0.18 0.08 -0.22 -0.80 -0.25 0.00 0.00 175.29 174.28 2qqw s ASN 110 N 0.93 2.68 -0.01 5.90 0.01 0.29 -1.18 114.94 123.55 2qqw s ASN 110 Ca 0.05 -0.66 -0.00 0.00 -0.71 0.00 0.00 52.86 51.54 2qqw s ASN 110 Cb -0.14 -0.17 -0.04 0.00 0.41 0.00 0.00 41.25 41.31 2qqw s ASN 110 CO 0.03 0.11 0.06 -0.51 -1.51 0.00 0.00 177.10 175.28 2qqw s ILE 111 N -1.05 4.61 -0.02 0.60 2.07 -1.26 -0.42 121.20 125.74 2qqw s ILE 111 Ca 0.08 -0.43 0.04 0.00 -1.41 0.00 0.00 60.65 58.93 2qqw s ILE 111 Cb -0.10 -3.09 -0.01 0.00 0.13 0.00 0.00 42.46 39.39 2qqw s ILE 111 CO 0.04 0.37 -0.15 0.00 -1.91 0.00 0.00 174.94 173.28 2qqw s ALA 112 N -1.16 1.29 0.14 1.50 0.00 0.42 -3.72 121.76 120.23 2qqw s ALA 112 Ca 0.22 -0.64 0.09 0.00 0.00 0.00 0.00 51.96 51.63 2qqw s ALA 112 Cb -0.12 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 2qqw s ALA 112 CO 0.13 0.29 -0.15 -1.21 0.00 0.00 0.00 175.76 174.82 2qqw s GLU 113 N -0.23 1.89 0.44 0.00 2.02 0.13 -1.69 118.70 121.25 2qqw s GLU 113 Ca 0.03 -1.22 -0.23 0.00 0.02 0.00 0.00 54.97 53.57 2qqw s GLU 113 Cb -0.07 -2.13 -0.08 0.00 0.10 0.00 0.00 34.13 31.95 2qqw s GLU 113 CO 0.00 0.46 1.12 -2.14 0.02 0.00 0.00 175.26 174.72 2qqw s PRO 114 N -2.40 3.91 0.12 0.39 0.02 -1.26 0.14 135.00 135.91 2qqw s PRO 114 Ca 0.21 1.67 -0.03 0.00 0.02 0.00 0.00 61.00 62.86 2qqw s PRO 114 Cb -0.10 -2.44 -0.12 0.00 0.02 0.00 0.00 34.50 31.86 2qqw s PRO 114 CO 0.12 -0.40 1.28 -0.22 -0.33 0.00 0.00 177.00 177.45 2qqw h LYS 115 N 2.19 0.34 -2.96 5.54 3.64 -1.00 -3.42 116.57 120.90 2qqw h LYS 115 Ca -0.49 -0.40 -0.60 0.00 -1.27 0.00 0.00 60.65 57.89 2qqw h LYS 115 Cb 1.23 0.12 -0.40 0.00 -0.41 0.00 0.00 32.23 32.78 2qqw h LYS 115 CO 0.61 1.10 -0.77 1.21 -2.27 0.00 0.00 179.45 179.33 2qqw s ASN 116 N -7.07 3.52 0.00 4.20 2.47 -1.26 -4.99 114.94 111.82 2qqw s ASN 116 Ca -0.05 -2.29 0.01 0.00 0.42 0.00 0.00 52.86 50.95 2qqw s ASN 116 Cb 0.09 -0.81 0.07 0.00 -1.45 0.00 0.00 41.25 39.15 2qqw s ASN 116 CO 0.86 -0.31 0.71 0.18 -3.72 0.00 0.00 177.10 174.82 2qqw n LEU 117 N 3.96 0.00 0.02 3.21 4.77 -1.26 -0.13 117.00 127.57 2qqw n LEU 117 Ca 0.07 0.15 0.11 0.00 -0.03 0.00 0.00 56.01 56.31 2qqw n LEU 117 Cb 0.37 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.23 2qqw n LEU 117 CO 0.19 -0.14 -0.32 -1.20 -1.33 0.00 0.00 177.39 174.59 2qqw n SER 118 N -1.15 0.44 -4.65 -1.43 7.64 -1.26 -4.83 113.62 108.38 2qqw n SER 118 Ca 0.01 -0.09 -0.43 0.00 1.01 0.00 0.00 58.87 59.38 2qqw n SER 118 Cb 0.01 1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 64.43 2qqw n SER 118 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2qqw s ASP 119 N -4.38 6.69 0.21 6.43 -1.08 0.82 -4.88 116.67 120.48 2qqw s ASP 119 Ca -0.02 1.99 0.25 0.00 -0.52 0.00 0.00 52.55 54.25 2qqw s ASP 119 Cb 0.13 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.59 2qqw s ASP 119 CO 0.85 -0.94 1.55 1.55 0.52 0.00 0.00 175.17 178.70 2qqw h PRO 120 N 9.39 0.00 -0.19 4.34 0.13 -1.88 -3.05 132.00 140.73 2qqw h PRO 120 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2qqw h PRO 120 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2qqw h PRO 120 CO 0.97 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.40 2qqw n TYR 121 N -2.36 0.25 -3.90 1.56 4.02 -1.26 -4.89 117.16 110.58 2qqw n TYR 121 Ca 0.04 -0.12 -0.29 0.00 -0.01 0.00 0.00 57.90 57.52 2qqw n TYR 121 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.76 2qqw n TYR 121 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2qqw n LEU 122 N 0.53 -0.31 -0.27 7.72 4.77 -1.16 -4.86 117.00 123.42 2qqw n LEU 122 Ca 0.17 -0.91 -0.06 0.00 -0.03 0.00 0.00 56.01 55.18 2qqw n LEU 122 Cb 0.38 -1.11 0.06 0.00 -2.33 0.00 0.00 43.42 40.42 2qqw n LEU 122 CO 0.13 0.48 1.07 -0.09 -1.33 0.00 0.00 177.39 177.65 2qqw h ARG 123 N -0.94 1.09 -5.59 3.23 2.43 -1.92 -3.45 114.38 109.23 2qqw h ARG 123 Ca -0.49 -0.17 -0.56 0.00 -0.81 0.00 0.00 59.98 57.95 2qqw h ARG 123 Cb 0.98 -0.19 -0.30 0.00 -0.42 0.00 0.00 29.97 30.04 2qqw h ARG 123 CO 0.42 0.86 -0.84 -1.21 -1.51 0.00 0.00 179.97 177.69 2qqw s GLU 124 N -5.66 1.61 0.04 0.20 2.02 -1.26 -4.71 118.70 110.94 2qqw s GLU 124 Ca -0.13 -0.64 0.08 0.00 0.02 0.00 0.00 54.97 54.30 2qqw s GLU 124 Cb 0.15 -1.49 -0.03 0.00 0.10 0.00 0.00 34.13 32.86 2qqw s GLU 124 CO 0.82 0.34 -0.22 -1.58 0.02 0.00 0.00 175.26 174.63 2qqw s TRP 125 N -0.25 1.97 -0.10 1.61 0.52 -1.26 -0.34 118.94 121.08 2qqw s TRP 125 Ca 0.03 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.78 2qqw s TRP 125 Cb -0.09 -1.17 -0.01 0.00 -1.15 0.00 0.00 33.47 31.04 2qqw s TRP 125 CO 0.00 0.10 -0.16 -1.59 0.02 0.00 0.00 176.95 175.32 2qqw s LYS 126 N -1.20 3.07 -0.20 4.98 -2.85 0.37 -4.81 119.74 119.10 2qqw s LYS 126 Ca 0.09 -0.74 -0.08 0.00 -1.00 0.00 0.00 55.97 54.24 2qqw s LYS 126 Cb -0.09 -2.48 -0.04 0.00 -2.06 0.00 0.00 37.83 33.16 2qqw s LYS 126 CO 0.02 0.31 0.08 0.15 0.10 0.00 0.00 175.35 176.01 2qqw s LYS 127 N 0.08 3.96 0.37 1.78 1.02 -1.26 -0.69 119.74 124.99 2qqw s LYS 127 Ca -0.07 -0.34 -0.28 0.00 0.02 0.00 0.00 55.97 55.30 2qqw s LYS 127 Cb -0.15 -3.29 -0.11 0.00 -0.52 0.00 0.00 37.83 33.76 2qqw s LYS 127 CO 0.05 0.18 1.35 0.45 -0.92 0.00 0.00 175.35 176.46 2qqw n SER 128 N 3.83 3.06 0.21 2.83 2.88 -1.24 -4.88 113.62 120.29 2qqw n SER 128 Ca -0.16 1.20 0.15 0.00 -1.33 0.00 0.00 58.87 58.72 2qqw n SER 128 Cb 0.52 -1.53 0.62 0.00 -0.75 0.00 0.00 64.21 63.07 2qqw n SER 128 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2qqw h PRO 129 N 2.59 0.00 0.00 -1.46 0.13 -1.97 -2.87 132.00 128.42 2qqw h PRO 129 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2qqw h PRO 129 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2qqw h PRO 129 CO 0.62 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.67 2qqw n LEU 130 N -2.65 0.00 -4.76 1.56 4.77 -1.26 -4.83 117.00 109.83 2qqw n LEU 130 Ca 0.01 0.40 -0.38 0.00 -0.03 0.00 0.00 56.01 56.01 2qqw n LEU 130 Cb 0.24 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 2qqw n LEU 130 CO 0.22 -0.10 0.92 0.20 -1.33 0.00 0.00 177.39 177.30 2qqw s ASN 131 N -2.80 5.86 0.32 -1.43 0.01 -1.09 -4.07 114.94 111.75 2qqw s ASN 131 Ca 0.16 2.56 -0.29 0.00 -0.71 0.00 0.00 52.86 54.58 2qqw s ASN 131 Cb 0.15 -2.62 -0.10 0.00 0.41 0.00 0.00 41.25 39.08 2qqw s ASN 131 CO 0.37 -1.15 1.30 -2.16 -1.51 0.00 0.00 177.10 173.95 2qqw s PRO 132 N -2.67 4.37 0.33 -0.60 0.04 -1.26 -4.74 135.00 130.47 2qqw s PRO 132 Ca 0.65 2.19 0.18 0.00 0.04 0.00 0.00 61.00 64.06 2qqw s PRO 132 Cb -0.35 -3.08 0.28 0.00 0.04 0.00 0.00 34.50 31.38 2qqw s PRO 132 CO 0.43 -0.18 1.55 -0.07 0.04 0.00 0.00 177.00 178.77 2qqw h LEU 133 N 3.51 0.00 -7.23 -3.56 4.07 -1.29 -3.45 115.31 107.35 2qqw h LEU 133 Ca -0.49 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.25 2qqw h LEU 133 Cb 1.22 0.00 -0.32 0.00 1.08 0.00 0.00 40.66 42.64 2qqw h LEU 133 CO 0.66 0.38 -0.54 -0.04 -1.08 0.00 0.00 178.44 177.83 2qqw s MET 134 N -3.14 0.14 -0.01 1.13 -1.94 -1.08 -4.48 119.30 109.92 2qqw s MET 134 Ca 0.04 0.69 -0.05 0.00 -1.71 0.00 0.00 55.69 54.65 2qqw s MET 134 Cb 0.08 -0.08 -0.00 0.00 2.01 0.00 0.00 34.83 36.84 2qqw s MET 134 CO 0.71 -0.27 0.10 0.00 -0.01 0.00 0.00 175.02 175.56 2qqw s ALA 135 N 2.22 -0.24 0.50 3.03 0.00 -1.26 0.11 121.76 126.11 2qqw s ALA 135 Ca -0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.63 2qqw s ALA 135 Cb -0.12 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.99 2qqw s ALA 135 CO -0.08 -0.17 1.23 -1.25 0.00 0.00 0.00 175.76 175.49 2qqw s PRO 136 N -1.08 3.51 0.04 0.00 0.04 -1.26 -5.00 135.00 131.25 2qqw s PRO 136 Ca -0.12 1.92 -0.00 0.00 0.04 0.00 0.00 61.00 62.84 2qqw s PRO 136 Cb -0.07 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2qqw s PRO 136 CO 0.01 -0.80 0.05 -0.40 0.04 0.00 0.00 177.00 175.90 2qqw n ASP 137 N -0.74 -0.14 0.09 6.66 5.68 -1.26 -4.99 116.55 121.85 2qqw n ASP 137 Ca 0.09 -1.20 -0.03 0.00 -0.50 0.00 0.00 54.79 53.15 2qqw n ASP 137 Cb 0.47 0.27 -0.03 0.00 -1.14 0.00 0.00 41.12 40.69 2qqw n ASP 137 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qqw h ALA 138 N 1.51 0.53 0.72 2.12 0.00 -1.95 -0.35 119.26 121.84 2qqw h ALA 138 Ca -0.03 -0.74 -0.04 0.00 0.00 0.00 0.00 54.91 54.11 2qqw h ALA 138 Cb 0.12 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2qqw h ALA 138 CO 0.04 1.01 -0.35 0.28 0.00 0.00 0.00 179.25 180.23 2qqw h VAL 139 N 0.00 0.00 0.00 0.00 2.07 -2.00 -3.32 116.25 113.00 2qqw h VAL 139 Ca -0.01 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 2qqw h VAL 139 Cb 1.56 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2qqw h VAL 139 CO 0.11 0.00 -0.35 -0.55 0.02 0.00 0.00 177.57 176.79 2qqw h ASN 140 N -1.23 0.00 -1.65 0.57 7.08 -1.95 -3.47 115.58 114.94 2qqw h ASN 140 Ca -0.10 0.00 -0.37 0.00 -3.08 0.00 0.00 56.30 52.75 2qqw h ASN 140 Cb 0.74 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 36.89 2qqw h ASN 140 CO 0.16 0.35 -0.40 0.61 -2.08 0.00 0.00 177.43 176.08 2qqw n GLY 141 N 0.29 0.83 3.75 9.14 0.00 -0.14 -4.95 105.19 114.11 2qqw n GLY 141 Ca 0.00 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2qqw n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qqw s ILE 142 N -2.79 3.27 -0.06 -0.61 1.01 -1.25 -4.97 121.20 115.81 2qqw s ILE 142 Ca 0.00 1.18 -0.30 0.00 0.00 0.00 0.00 60.65 61.53 2qqw s ILE 142 Cb 0.00 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 2qqw s ILE 142 CO 0.00 0.24 1.73 0.21 0.00 0.00 0.00 174.94 177.12 2qqw s ASN 143 N -0.31 6.56 0.57 3.58 3.84 -1.26 -4.54 114.94 123.38 2qqw s ASN 143 Ca 0.50 2.25 0.35 0.00 0.21 0.00 0.00 52.86 56.17 2qqw s ASN 143 Cb -0.35 -2.53 1.57 0.00 -0.55 0.00 0.00 41.25 39.39 2qqw s ASN 143 CO 0.42 -1.01 2.06 0.00 -2.79 0.00 0.00 177.10 175.78 2qqw h ALA 144 N 10.01 1.01 -0.59 1.71 0.00 -1.93 -1.76 119.26 127.71 2qqw h ALA 144 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2qqw h ALA 144 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2qqw h ALA 144 CO 0.96 0.02 0.00 0.43 0.00 0.00 0.00 179.25 180.65 2qqw n SER 145 N -3.12 3.64 -2.93 0.00 7.64 -1.26 -1.06 113.62 116.53 2qqw n SER 145 Ca -0.00 -2.16 -0.13 0.00 1.01 0.00 0.00 58.87 57.59 2qqw n SER 145 Cb 0.26 -0.46 0.04 0.00 -1.01 0.00 0.00 64.21 63.04 2qqw n SER 145 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2qqw n SER 146 N 1.14 -1.00 -3.01 6.43 7.64 -0.66 -5.01 113.62 119.14 2qqw n SER 146 Ca 0.21 -3.40 -0.14 0.00 1.01 0.00 0.00 58.87 56.54 2qqw n SER 146 Cb 0.63 0.85 -0.03 0.00 -1.01 0.00 0.00 64.21 64.64 2qqw n SER 146 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2qqw n PHE 147 N 0.35 -2.48 -4.07 1.43 7.35 -1.24 -3.81 117.46 114.99 2qqw n PHE 147 Ca 0.14 -2.27 -0.10 0.00 -0.76 0.00 0.00 57.45 54.46 2qqw n PHE 147 Cb 0.68 0.91 -0.09 0.00 0.35 0.00 0.00 39.48 41.34 2qqw n PHE 147 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 2qqw s ARG 148 N 0.39 1.01 -0.45 -4.13 1.70 -0.63 -4.42 118.95 112.42 2qqw s ARG 148 Ca 0.32 -1.33 -0.01 0.00 -0.47 0.00 0.00 55.73 54.24 2qqw s ARG 148 Cb 0.06 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 2qqw s ARG 148 CO -0.13 -0.32 0.44 -0.25 -1.08 0.00 0.00 175.30 173.96 2qqw n ASP 149 N -0.14 -5.74 -4.74 -2.89 8.00 -1.26 -1.13 116.55 108.65 2qqw n ASP 149 Ca -0.06 0.01 -0.36 0.00 0.71 0.00 0.00 54.79 55.09 2qqw n ASP 149 Cb 0.63 -3.78 0.05 0.00 -0.02 0.00 0.00 41.12 38.01 2qqw n ASP 149 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2qqw s PRO 150 N -2.87 2.75 0.81 -0.24 0.04 -1.26 -4.01 135.00 130.23 2qqw s PRO 150 Ca 0.02 1.87 -0.05 0.00 0.04 0.00 0.00 61.00 62.88 2qqw s PRO 150 Cb -0.01 -1.90 0.17 0.00 0.04 0.00 0.00 34.50 32.81 2qqw s PRO 150 CO 0.48 -1.39 1.11 0.25 0.04 0.00 0.00 177.00 177.50 2qqw n THR 151 N -1.83 0.00 -2.08 1.26 -2.24 -1.00 -3.66 114.28 104.73 2qqw n THR 151 Ca 0.14 -1.42 -0.38 0.00 -2.27 0.00 0.00 64.05 60.13 2qqw n THR 151 Cb 0.49 -1.07 0.01 0.00 -2.10 0.00 0.00 70.33 67.66 2qqw n THR 151 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2qqw s THR 152 N -3.38 2.71 0.15 4.28 2.01 -1.26 -4.58 115.64 115.57 2qqw s THR 152 Ca 0.70 0.54 -0.03 0.00 0.31 0.00 0.00 61.69 63.22 2qqw s THR 152 Cb -0.03 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 2qqw s THR 152 CO 0.47 0.00 0.35 0.00 -0.69 0.00 0.00 174.62 174.76 2qqw s ALA 153 N -1.43 3.84 -0.06 7.40 0.00 -1.26 -4.79 121.76 125.46 2qqw s ALA 153 Ca 0.65 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.95 2qqw s ALA 153 Cb -0.34 -2.03 -0.00 0.00 0.00 0.00 0.00 23.12 20.76 2qqw s ALA 153 CO 0.41 0.62 -0.18 1.67 0.00 0.00 0.00 175.76 178.28 2qqw s TRP 154 N -1.70 1.86 -0.10 0.00 -2.14 -0.53 -4.89 118.94 111.44 2qqw s TRP 154 Ca 0.39 -0.61 -0.27 0.00 2.66 0.00 0.00 56.10 58.27 2qqw s TRP 154 Cb -0.12 -1.27 -0.02 0.00 -3.10 0.00 0.00 33.47 28.97 2qqw s TRP 154 CO 0.27 -0.23 0.89 -1.17 -2.66 0.00 0.00 176.95 174.05 2qqw s LEU 155 N 0.19 4.25 0.77 -4.66 2.96 -1.26 -1.30 118.68 119.63 2qqw s LEU 155 Ca -0.08 1.38 -0.07 0.00 -0.22 0.00 0.00 54.13 55.13 2qqw s LEU 155 Cb -0.14 -3.37 0.11 0.00 0.50 0.00 0.00 46.19 43.29 2qqw s LEU 155 CO 0.04 -0.34 1.08 -0.83 -1.32 0.00 0.00 176.35 174.97 2qqw s GLY 156 N 1.05 1.73 0.35 7.98 0.00 -0.55 -4.87 107.32 113.01 2qqw s GLY 156 Ca 0.44 -1.20 0.05 0.00 0.00 0.00 0.00 44.72 44.01 2qqw s GLY 156 CO 0.18 -0.66 1.94 -1.61 0.00 0.00 0.00 173.10 172.95 2qqw h GLN 157 N -0.83 0.77 -0.96 2.90 5.75 -1.96 -1.88 115.11 118.91 2qqw h GLN 157 Ca -0.42 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 2qqw h GLN 157 Cb 1.28 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.66 2qqw h GLN 157 CO 0.50 0.51 0.00 -0.40 -2.65 0.00 0.00 178.83 176.79 2qqw n ASP 158 N -4.49 1.04 -3.93 -0.69 3.85 -1.26 -4.84 116.55 106.23 2qqw n ASP 158 Ca 0.12 -2.01 -0.29 0.00 -0.71 0.00 0.00 54.79 51.90 2qqw n ASP 158 Cb 0.24 -0.48 0.01 0.00 -1.35 0.00 0.00 41.12 39.54 2qqw n ASP 158 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2qqw n LYS 159 N -0.01 -4.59 -4.24 0.11 5.02 -0.71 -4.99 118.16 108.75 2qqw n LYS 159 Ca 0.00 0.53 -0.21 0.00 -2.02 0.00 0.00 58.31 56.61 2qqw n LYS 159 Cb 0.26 -5.18 -0.16 0.00 -0.02 0.00 0.00 35.03 29.92 2qqw n LYS 159 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2qqw s LYS 160 N -6.53 1.00 0.24 1.97 2.20 -1.25 -4.80 119.74 112.56 2qqw s LYS 160 Ca 0.42 -0.16 -0.30 0.00 -0.36 0.00 0.00 55.97 55.57 2qqw s LYS 160 Cb -0.21 -0.95 -0.09 0.00 -1.51 0.00 0.00 37.83 35.07 2qqw s LYS 160 CO 0.85 -0.06 1.07 -1.58 -0.36 0.00 0.00 175.35 175.27 2qqw s TRP 161 N 0.88 3.66 0.05 4.03 0.52 0.34 -1.49 118.94 126.93 2qqw s TRP 161 Ca -0.12 1.71 0.07 0.00 0.02 0.00 0.00 56.10 57.79 2qqw s TRP 161 Cb -0.15 -3.22 -0.03 0.00 -1.15 0.00 0.00 33.47 28.92 2qqw s TRP 161 CO 0.01 -0.37 -0.19 1.03 0.02 0.00 0.00 176.95 177.45 2qqw s ARG 162 N -1.01 2.02 -0.04 4.98 3.00 -0.42 -0.55 118.95 126.93 2qqw s ARG 162 Ca 0.45 -1.01 -0.18 0.00 0.00 0.00 0.00 55.73 54.99 2qqw s ARG 162 Cb -0.30 -2.16 0.04 0.00 0.00 0.00 0.00 34.95 32.52 2qqw s ARG 162 CO 0.37 0.53 0.40 0.54 0.00 0.00 0.00 175.30 177.15 2qqw s VAL 163 N -0.94 0.04 0.21 3.52 0.11 -0.67 -1.46 120.40 121.21 2qqw s VAL 163 Ca 0.15 -0.32 0.11 0.00 -2.93 0.00 0.00 61.98 58.99 2qqw s VAL 163 Cb -0.10 -0.70 -0.05 0.00 -1.53 0.00 0.00 36.38 34.00 2qqw s VAL 163 CO 0.06 -0.18 -0.23 0.27 -3.33 0.00 0.00 175.10 171.69 2qqw s ILE 164 N -1.15 2.34 -0.03 7.04 -4.36 -1.26 -0.38 121.20 123.41 2qqw s ILE 164 Ca -0.12 -2.09 0.02 0.00 -0.26 0.00 0.00 60.65 58.20 2qqw s ILE 164 Cb -0.04 -2.14 0.01 0.00 1.25 0.00 0.00 42.46 41.54 2qqw s ILE 164 CO 0.05 -0.18 -0.05 -0.63 0.24 0.00 0.00 174.94 174.37 2qqw s ILE 165 N -1.83 0.53 0.15 8.37 1.01 -0.18 -2.36 121.20 126.88 2qqw s ILE 165 Ca 0.22 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 2qqw s ILE 165 Cb -0.07 -0.50 -0.08 0.00 0.01 0.00 0.00 42.46 41.82 2qqw s ILE 165 CO 0.10 0.19 1.31 -0.83 0.00 0.00 0.00 174.94 175.71 2qqw s GLY 166 N 0.41 2.32 0.13 6.18 0.00 -0.28 -1.52 107.32 114.56 2qqw s GLY 166 Ca -0.05 1.06 -0.03 0.00 0.00 0.00 0.00 44.72 45.70 2qqw s GLY 166 CO -0.00 2.13 0.22 -1.26 0.00 0.00 0.00 173.10 174.19 2qqw n SER 167 N 3.22 -0.63 -3.62 1.64 2.88 -0.72 -1.61 113.62 114.78 2qqw n SER 167 Ca 0.08 -1.64 -0.13 0.00 -1.33 0.00 0.00 58.87 55.85 2qqw n SER 167 Cb 0.43 1.11 -0.07 0.00 -0.75 0.00 0.00 64.21 64.93 2qqw n SER 167 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2qqw s LYS 168 N -2.18 0.77 -0.05 -1.46 -2.85 -1.25 -2.32 119.74 110.39 2qqw s LYS 168 Ca 0.08 0.84 -0.01 0.00 -1.00 0.00 0.00 55.97 55.88 2qqw s LYS 168 Cb -0.01 0.37 -0.00 0.00 -2.06 0.00 0.00 37.83 36.13 2qqw s LYS 168 CO 0.06 -0.11 -0.02 -0.84 0.10 0.00 0.00 175.35 174.55 2qqw h ILE 169 N 3.81 0.00 0.00 3.79 3.07 -1.43 -3.42 117.51 123.32 2qqw h ILE 169 Ca -0.28 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 65.62 2qqw h ILE 169 Cb 1.16 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.71 2qqw h ILE 169 CO 0.09 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.60 2qqw n HIS 170 N -3.42 0.00 0.85 0.16 8.25 -1.26 -4.88 115.22 114.92 2qqw n HIS 170 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 2qqw n HIS 170 Cb 0.02 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.29 2qqw n HIS 170 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qqw n ARG 171 N -0.18 2.34 -3.03 -0.41 5.12 -1.26 -4.87 116.66 114.37 2qqw n ARG 171 Ca 0.00 -1.96 -0.43 0.00 -1.93 0.00 0.00 57.85 53.53 2qqw n ARG 171 Cb 0.00 -1.48 -0.06 0.00 -1.16 0.00 0.00 32.46 29.77 2qqw n ARG 171 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2qqw s ARG 172 N -1.86 3.30 0.18 5.56 6.06 -1.26 -1.06 118.95 129.87 2qqw s ARG 172 Ca 0.31 -0.35 -0.22 0.00 -2.50 0.00 0.00 55.73 52.98 2qqw s ARG 172 Cb 0.21 -3.98 -0.08 0.00 0.06 0.00 0.00 34.95 31.15 2qqw s ARG 172 CO 0.31 -1.15 0.73 0.20 -2.50 0.00 0.00 175.30 172.89 2qqw s GLY 173 N 2.28 2.77 0.13 8.12 0.00 -0.89 -0.98 107.32 118.74 2qqw s GLY 173 Ca 0.25 0.24 -0.12 0.00 0.00 0.00 0.00 44.72 45.10 2qqw s GLY 173 CO 0.19 0.68 0.30 0.48 0.00 0.00 0.00 173.10 174.75 2qqw s LEU 174 N -1.49 0.91 -0.42 0.66 2.34 -0.98 -1.42 118.68 118.28 2qqw s LEU 174 Ca 0.38 -0.59 -0.04 0.00 0.06 0.00 0.00 54.13 53.93 2qqw s LEU 174 Cb -0.20 1.40 0.11 0.00 -0.56 0.00 0.00 46.19 46.94 2qqw s LEU 174 CO 0.23 -0.83 0.23 0.00 -1.06 0.00 0.00 176.35 174.92 2qqw s ALA 175 N -3.87 3.20 -0.07 1.48 0.00 -0.73 -1.75 121.76 120.01 2qqw s ALA 175 Ca 0.08 -2.53 -0.30 0.00 0.00 0.00 0.00 51.96 49.21 2qqw s ALA 175 Cb 0.03 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 2qqw s ALA 175 CO -0.08 -1.82 1.36 0.42 0.00 0.00 0.00 175.76 175.65 2qqw s ILE 176 N 1.18 3.97 -0.07 0.00 1.01 -0.58 -1.77 121.20 124.94 2qqw s ILE 176 Ca 0.08 1.26 -0.13 0.00 0.00 0.00 0.00 60.65 61.86 2qqw s ILE 176 Cb -0.23 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 2qqw s ILE 176 CO -0.04 -0.06 0.32 -0.89 0.00 0.00 0.00 174.94 174.28 2qqw s THR 177 N 3.00 5.22 0.02 2.92 2.01 -1.26 -1.01 115.64 126.53 2qqw s THR 177 Ca 0.61 0.63 0.07 0.00 0.31 0.00 0.00 61.69 63.31 2qqw s THR 177 Cb -0.27 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2qqw s THR 177 CO 0.22 0.53 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.15 2qqw s TYR 178 N -0.61 1.96 0.06 4.92 1.51 0.49 -0.64 117.35 125.04 2qqw s TYR 178 Ca 0.20 -0.38 0.09 0.00 -1.01 0.00 0.00 57.07 55.97 2qqw s TYR 178 Cb -0.15 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 2qqw s TYR 178 CO 0.09 0.04 -0.24 0.95 -1.11 0.00 0.00 175.55 175.27 2qqw s THR 179 N -0.66 2.35 -0.00 -0.71 -4.23 -0.63 -1.67 115.64 110.08 2qqw s THR 179 Ca 0.09 -1.40 -0.08 0.00 -1.18 0.00 0.00 61.69 59.11 2qqw s THR 179 Cb -0.09 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.79 2qqw s THR 179 CO 0.01 0.30 0.16 -0.55 -0.54 0.00 0.00 174.62 174.00 2qqw s SER 180 N -1.46 -0.01 0.06 3.99 0.15 0.28 -1.29 113.70 115.42 2qqw s SER 180 Ca 0.13 -0.14 0.22 0.00 0.70 0.00 0.00 55.95 56.86 2qqw s SER 180 Cb -0.10 0.23 -0.18 0.00 -1.71 0.00 0.00 66.02 64.26 2qqw s SER 180 CO 0.04 -0.36 0.75 0.29 1.20 0.00 0.00 173.24 175.16 2qqw n LYS 181 N 1.53 0.57 0.00 5.44 5.02 -1.26 0.13 118.16 129.59 2qqw n LYS 181 Ca -0.22 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 2qqw n LYS 181 Cb 0.56 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 2qqw n LYS 181 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2qqw n ASP 182 N -2.33 0.05 -1.00 4.39 5.75 -1.26 -4.85 116.55 117.29 2qqw n ASP 182 Ca -0.02 -0.71 -0.10 0.00 -0.01 0.00 0.00 54.79 53.95 2qqw n ASP 182 Cb 0.54 0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.63 2qqw n ASP 182 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2qqw n PHE 183 N -0.02 -0.26 0.00 2.11 7.35 -1.26 -4.82 117.46 120.55 2qqw n PHE 183 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2qqw n PHE 183 Cb 0.16 -2.24 0.00 0.00 0.35 0.00 0.00 39.48 37.75 2qqw n PHE 183 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2qqw n LEU 184 N -1.34 0.06 -4.15 -2.13 4.77 -1.26 -5.00 117.00 107.94 2qqw n LEU 184 Ca -0.11 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.51 2qqw n LEU 184 Cb 0.47 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 2qqw n LEU 184 CO 0.15 0.01 -0.24 -0.75 -1.33 0.00 0.00 177.39 175.23 2qqw s LYS 185 N -1.35 2.21 -0.16 3.23 2.36 -1.26 -4.93 119.74 119.84 2qqw s LYS 185 Ca 0.00 -1.57 -0.06 0.00 -2.55 0.00 0.00 55.97 51.79 2qqw s LYS 185 Cb 0.00 -3.44 -0.04 0.00 -1.05 0.00 0.00 37.83 33.30 2qqw s LYS 185 CO 0.00 -0.88 0.03 -1.58 1.55 0.00 0.00 175.35 174.47 2qqw s TRP 186 N 1.21 3.20 -0.09 4.03 0.52 -1.26 -4.28 118.94 122.27 2qqw s TRP 186 Ca 0.03 0.02 0.04 0.00 0.02 0.00 0.00 56.10 56.22 2qqw s TRP 186 Cb -0.21 -2.00 -0.00 0.00 -1.15 0.00 0.00 33.47 30.10 2qqw s TRP 186 CO -0.02 0.18 -0.24 -2.00 0.02 0.00 0.00 176.95 174.88 2qqw s GLU 187 N 0.13 2.93 0.04 4.98 2.12 -0.41 -4.93 118.70 123.55 2qqw s GLU 187 Ca 0.03 -0.88 -0.30 0.00 0.36 0.00 0.00 54.97 54.18 2qqw s GLU 187 Cb -0.13 -2.26 -0.08 0.00 0.26 0.00 0.00 34.13 31.92 2qqw s GLU 187 CO 0.01 0.22 1.69 0.21 -0.54 0.00 0.00 175.26 176.85 2qqw s LYS 188 N 0.23 4.19 0.42 4.30 2.20 -1.26 -1.61 119.74 128.21 2qqw s LYS 188 Ca -0.16 2.33 -0.26 0.00 -0.36 0.00 0.00 55.97 57.53 2qqw s LYS 188 Cb -0.17 -3.75 -0.09 0.00 -1.51 0.00 0.00 37.83 32.31 2qqw s LYS 188 CO 0.08 -0.79 1.34 -1.12 -0.36 0.00 0.00 175.35 174.50 2qqw s SER 189 N 2.86 6.19 0.54 1.43 0.01 0.18 -4.90 113.70 120.01 2qqw s SER 189 Ca 0.75 2.73 0.24 0.00 1.31 0.00 0.00 55.95 60.99 2qqw s SER 189 Cb -0.39 -2.64 1.52 0.00 0.21 0.00 0.00 66.02 64.72 2qqw s SER 189 CO 0.33 -0.94 2.16 1.55 0.41 0.00 0.00 173.24 176.74 2qqw h PRO 190 N 2.57 0.00 -5.94 12.44 0.13 -1.94 -3.43 132.00 135.84 2qqw h PRO 190 Ca -0.50 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.96 2qqw h PRO 190 Cb 1.25 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.18 2qqw h PRO 190 CO 0.62 0.05 -0.69 -1.21 -0.23 0.00 0.00 178.00 176.54 2qqw s GLU 191 N -4.63 2.95 0.56 0.86 0.41 -1.26 -5.10 118.70 112.49 2qqw s GLU 191 Ca -0.04 -0.55 -0.20 0.00 -0.41 0.00 0.00 54.97 53.76 2qqw s GLU 191 Cb 0.15 -2.65 -0.04 0.00 -1.78 0.00 0.00 34.13 29.81 2qqw s GLU 191 CO 0.60 0.56 1.25 -2.14 -0.49 0.00 0.00 175.26 175.04 2qqw s PRO 192 N -0.52 3.12 0.28 0.39 0.02 -1.26 -4.32 135.00 132.70 2qqw s PRO 192 Ca 0.08 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.05 2qqw s PRO 192 Cb -0.12 -2.09 0.40 0.00 0.02 0.00 0.00 34.50 32.71 2qqw s PRO 192 CO 0.02 -1.12 1.76 1.25 -0.33 0.00 0.00 177.00 178.58 2qqw h LEU 193 N 1.21 0.63 -7.05 -5.54 5.85 -1.59 -3.46 115.31 105.37 2qqw h LEU 193 Ca -0.50 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.09 2qqw h LEU 193 Cb 1.29 -0.17 -0.13 0.00 0.37 0.00 0.00 40.66 42.02 2qqw h LEU 193 CO 0.56 0.76 0.34 -2.28 -0.34 0.00 0.00 178.44 177.49 2qqw s HIS 194 N -4.82 -0.43 0.02 1.25 2.46 -1.26 -0.73 115.29 111.77 2qqw s HIS 194 Ca -0.08 0.25 -0.18 0.00 0.47 0.00 0.00 55.06 55.51 2qqw s HIS 194 Cb 0.14 0.56 0.04 0.00 -0.13 0.00 0.00 32.58 33.19 2qqw s HIS 194 CO 0.80 -0.72 0.41 1.52 -2.47 0.00 0.00 174.74 174.27 2qqw s TYR 195 N -3.46 -0.28 -0.05 3.88 -0.85 -1.26 -1.78 117.35 113.54 2qqw s TYR 195 Ca 0.03 0.32 0.00 0.00 -0.52 0.00 0.00 57.07 56.91 2qqw s TYR 195 Cb -0.01 0.20 0.02 0.00 0.38 0.00 0.00 41.96 42.55 2qqw s TYR 195 CO -0.10 -0.52 -0.03 -0.51 -1.52 0.00 0.00 175.55 172.86 2qqw s ASP 196 N -1.74 1.10 0.21 -0.18 1.01 -0.51 -5.01 116.67 111.54 2qqw s ASP 196 Ca -0.08 -0.11 -0.30 0.00 0.71 0.00 0.00 52.55 52.77 2qqw s ASP 196 Cb -0.02 -0.43 -0.08 0.00 1.01 0.00 0.00 42.92 43.40 2qqw s ASP 196 CO 0.01 -0.10 1.18 -1.81 0.21 0.00 0.00 175.17 174.66 2qqw s ASP 197 N 1.23 7.12 -0.14 0.27 -0.00 -1.26 -2.09 116.67 121.80 2qqw s ASP 197 Ca -0.06 2.25 0.00 0.00 -0.00 0.00 0.00 52.55 54.73 2qqw s ASP 197 Cb -0.14 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.17 2qqw s ASP 197 CO -0.02 -0.33 0.00 0.61 -0.00 0.00 0.00 175.17 175.43 2qqw n GLY 198 N 1.96 0.48 0.14 0.21 0.00 -0.66 -4.90 105.19 102.41 2qqw n GLY 198 Ca 0.03 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 2qqw n GLY 198 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qqw h SER 199 N 0.00 0.60 -1.58 1.61 4.64 -1.45 -3.49 113.55 113.88 2qqw h SER 199 Ca -0.03 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 2qqw h SER 199 Cb 0.28 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2qqw h SER 199 CO 0.04 1.72 0.00 0.61 -0.87 0.00 0.00 176.83 178.33 2qqw n GLY 200 N 1.81 -1.81 3.73 -0.77 0.00 -0.22 -4.68 105.19 103.25 2qqw n GLY 200 Ca -0.22 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2qqw n GLY 200 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2qqw s MET 201 N 0.00 4.13 -0.48 1.61 1.75 -1.26 -3.18 119.30 121.86 2qqw s MET 201 Ca 0.00 2.59 -0.20 0.00 -1.25 0.00 0.00 55.69 56.83 2qqw s MET 201 Cb 0.00 -3.07 0.04 0.00 2.84 0.00 0.00 34.83 34.64 2qqw s MET 201 CO 0.00 -0.72 0.65 -1.58 -0.65 0.00 0.00 175.02 172.72 2qqw s TRP 202 N 0.93 3.04 0.25 4.11 0.52 -1.12 -2.35 118.94 124.31 2qqw s TRP 202 Ca 0.72 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 56.57 2qqw s TRP 202 Cb -0.49 -3.49 -0.03 0.00 -1.15 0.00 0.00 33.47 28.31 2qqw s TRP 202 CO 0.35 -0.99 0.33 -1.21 0.02 0.00 0.00 176.95 175.45 2qqw s GLU 203 N 2.79 3.30 -1.13 4.98 2.02 1.00 -3.12 118.70 128.53 2qqw s GLU 203 Ca 0.19 -0.85 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 2qqw s GLU 203 Cb -0.17 -2.81 0.04 0.00 0.10 0.00 0.00 34.13 31.30 2qqw s GLU 203 CO 0.15 0.40 0.57 0.00 0.02 0.00 0.00 175.26 176.40 2qqw s PRO 205 N -7.28 3.16 0.01 0.00 0.04 -1.26 -4.20 135.00 125.47 2qqw s PRO 205 Ca 0.42 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.27 2qqw s PRO 205 Cb -0.24 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 2qqw s PRO 205 CO 0.89 -1.04 -0.03 0.34 0.04 0.00 0.00 177.00 177.20 2qqw s ASP 206 N -1.56 0.29 -0.21 6.66 2.15 -0.23 -4.56 116.67 119.21 2qqw s ASP 206 Ca 0.74 -0.20 -0.05 0.00 0.43 0.00 0.00 52.55 53.47 2qqw s ASP 206 Cb -0.29 0.01 0.10 0.00 -0.30 0.00 0.00 42.92 42.45 2qqw s ASP 206 CO 0.33 -0.08 0.37 0.12 -0.17 0.00 0.00 175.17 175.74 2qqw s PHE 207 N -0.54 -0.73 -0.09 -5.34 5.36 -1.26 -1.01 117.98 114.36 2qqw s PHE 207 Ca -0.05 1.11 -0.15 0.00 -0.96 0.00 0.00 56.93 56.88 2qqw s PHE 207 Cb -0.04 0.11 0.04 0.00 -0.34 0.00 0.00 43.02 42.79 2qqw s PHE 207 CO -0.00 -0.57 0.38 -0.59 -1.46 0.00 0.00 175.22 172.99 2qqw s PHE 208 N 2.55 -0.36 0.65 10.12 -0.12 -1.09 -4.94 117.98 124.79 2qqw s PHE 208 Ca 0.05 0.79 -0.13 0.00 -0.05 0.00 0.00 56.93 57.59 2qqw s PHE 208 Cb -0.14 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.39 2qqw s PHE 208 CO -0.13 -0.30 1.05 -1.25 -0.05 0.00 0.00 175.22 174.54 2qqw s PRO 209 N -0.43 3.13 -0.05 1.99 0.04 -1.26 -1.73 135.00 136.69 2qqw s PRO 209 Ca -0.06 1.03 -0.09 0.00 0.04 0.00 0.00 61.00 61.93 2qqw s PRO 209 Cb -0.03 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.51 2qqw s PRO 209 CO 0.02 -0.95 0.22 0.54 0.04 0.00 0.00 177.00 176.88 2qqw s VAL 210 N -2.83 0.03 0.32 -0.36 0.11 0.06 -4.41 120.40 113.31 2qqw s VAL 210 Ca 0.60 -0.27 -0.27 0.00 -2.93 0.00 0.00 61.98 59.11 2qqw s VAL 210 Cb -0.14 -0.41 -0.10 0.00 -1.53 0.00 0.00 36.38 34.20 2qqw s VAL 210 CO 0.48 -0.15 0.96 0.28 -3.33 0.00 0.00 175.10 173.34 2qqw s THR 211 N -0.54 4.11 0.19 5.04 -1.32 -1.26 -1.59 115.64 120.26 2qqw s THR 211 Ca -0.06 1.80 -0.01 0.00 -1.21 0.00 0.00 61.69 62.21 2qqw s THR 211 Cb -0.04 -4.02 -0.09 0.00 -1.51 0.00 0.00 72.50 66.85 2qqw s THR 211 CO 0.01 0.19 1.47 -0.09 -2.21 0.00 0.00 174.62 173.99 2qqw h ARG 212 N 3.27 0.40 -3.13 7.08 9.65 -1.83 -3.39 114.38 126.43 2qqw h ARG 212 Ca -0.47 -0.30 -0.49 0.00 -1.10 0.00 0.00 59.98 57.62 2qqw h ARG 212 Cb 1.20 0.06 -0.41 0.00 -1.39 0.00 0.00 29.97 29.43 2qqw h ARG 212 CO 0.65 0.93 -0.76 -0.06 2.80 0.00 0.00 179.97 183.54 2qqw s PHE 213 N -3.70 0.46 0.00 2.20 0.40 -1.26 -4.82 117.98 111.26 2qqw s PHE 213 Ca -0.06 -0.59 0.00 0.00 -0.60 0.00 0.00 56.93 55.68 2qqw s PHE 213 Cb 0.11 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.80 2qqw s PHE 213 CO 0.83 -0.60 0.00 0.41 0.70 0.00 0.00 175.22 176.56 2qqw n GLY 214 N 5.21 4.12 0.01 4.36 0.00 -1.26 -4.98 105.19 112.65 2qqw n GLY 214 Ca -0.07 -1.31 0.11 0.00 0.00 0.00 0.00 46.02 44.75 2qqw n GLY 214 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qqw n SER 215 N 0.00 0.73 -4.79 1.61 3.41 -1.26 -4.44 113.62 108.89 2qqw n SER 215 Ca 0.00 -0.59 -0.36 0.00 -0.26 0.00 0.00 58.87 57.65 2qqw n SER 215 Cb 0.00 0.89 -0.06 0.00 -0.26 0.00 0.00 64.21 64.77 2qqw n SER 215 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2qqw s ASN 216 N -3.33 7.21 0.77 4.04 0.01 -1.26 -4.68 114.94 117.70 2qqw s ASN 216 Ca 0.06 1.84 -0.11 0.00 -0.71 0.00 0.00 52.86 53.94 2qqw s ASN 216 Cb 0.16 -2.57 0.05 0.00 0.41 0.00 0.00 41.25 39.30 2qqw s ASN 216 CO 0.82 -0.16 1.09 -0.83 -1.51 0.00 0.00 177.10 176.51 2qqw s GLY 217 N -1.70 1.63 -0.09 0.66 0.00 0.23 -4.52 107.32 103.53 2qqw s GLY 217 Ca 0.53 -0.17 0.04 0.00 0.00 0.00 0.00 44.72 45.12 2qqw s GLY 217 CO 0.22 0.23 -0.24 0.14 0.00 0.00 0.00 173.10 173.46 2qqw s VAL 218 N -3.16 2.10 0.12 1.40 1.01 -1.26 -4.65 120.40 115.96 2qqw s VAL 218 Ca 0.60 -1.02 -0.35 0.00 0.00 0.00 0.00 61.98 61.21 2qqw s VAL 218 Cb -0.14 -1.79 -0.16 0.00 0.00 0.00 0.00 36.38 34.28 2qqw s VAL 218 CO 0.54 0.56 1.22 1.21 0.00 0.00 0.00 175.10 178.63 2qqw n GLU 219 N 3.38 1.04 0.13 2.72 0.00 -1.26 -4.74 120.64 121.92 2qqw n GLU 219 Ca -0.19 0.37 0.18 0.00 0.00 0.00 0.00 57.16 57.52 2qqw n GLU 219 Cb 0.53 -1.93 0.75 0.00 0.00 0.00 0.00 31.44 30.80 2qqw n GLU 219 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2qqw h THR 220 N 2.95 0.60 0.00 6.31 2.02 -1.96 -2.19 112.91 120.64 2qqw h THR 220 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 2qqw h THR 220 Cb 1.35 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2qqw h THR 220 CO 0.73 0.00 -1.38 -1.20 0.37 0.00 0.00 175.52 174.04 2qqw n SER 221 N -4.05 0.51 -4.39 4.18 7.64 -1.26 -4.49 113.62 111.76 2qqw n SER 221 Ca 0.04 -0.35 -0.47 0.00 1.01 0.00 0.00 58.87 59.10 2qqw n SER 221 Cb 0.43 1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 64.90 2qqw n SER 221 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2qqw n SER 222 N -1.96 -1.39 -4.91 6.43 7.64 -0.83 -4.84 113.62 113.78 2qqw n SER 222 Ca 0.00 1.10 -0.32 0.00 1.01 0.00 0.00 58.87 60.66 2qqw n SER 222 Cb 0.46 -0.95 -0.05 0.00 -1.01 0.00 0.00 64.21 62.67 2qqw n SER 222 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2qqw s PHE 223 N -1.07 3.53 -1.05 1.43 0.08 -1.26 -5.01 117.98 114.63 2qqw s PHE 223 Ca 0.63 0.39 -0.23 0.00 0.12 0.00 0.00 56.93 57.85 2qqw s PHE 223 Cb -0.90 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 2qqw s PHE 223 CO 0.57 0.58 1.73 0.20 -0.10 0.00 0.00 175.22 178.20 2qqw s GLY 224 N -2.20 0.80 0.31 4.36 0.00 -1.26 -4.98 107.32 104.35 2qqw s GLY 224 Ca 0.33 -2.10 -0.28 0.00 0.00 0.00 0.00 44.72 42.67 2qqw s GLY 224 CO 0.23 3.09 1.11 1.18 0.00 0.00 0.00 173.10 178.70 2qqw n GLU 225 N 8.71 1.63 0.05 2.90 4.71 -1.09 -4.86 120.64 132.69 2qqw n GLU 225 Ca 0.40 0.57 0.03 0.00 -0.01 0.00 0.00 57.16 58.15 2qqw n GLU 225 Cb 0.48 -2.02 0.16 0.00 -1.01 0.00 0.00 31.44 29.05 2qqw n GLU 225 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2qqw n PRO 226 N 0.65 0.04 -0.01 3.49 -0.02 -1.26 -2.30 135.00 135.59 2qqw n PRO 226 Ca 0.08 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2qqw n PRO 226 Cb 0.34 -1.73 0.01 0.00 -0.02 0.00 0.00 33.50 32.09 2qqw n PRO 226 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2qqw n ASN 227 N -1.65 1.63 -3.44 2.55 6.94 -1.26 -4.95 115.26 115.08 2qqw n ASN 227 Ca -0.00 -1.57 -0.15 0.00 -0.02 0.00 0.00 54.58 52.84 2qqw n ASN 227 Cb 0.12 -0.01 -0.11 0.00 -2.36 0.00 0.00 39.78 37.42 2qqw n ASN 227 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2qqw s GLU 228 N -0.58 0.25 -0.14 -3.83 2.02 -0.97 -5.15 118.70 110.30 2qqw s GLU 228 Ca 0.02 0.34 -0.16 0.00 0.02 0.00 0.00 54.97 55.19 2qqw s GLU 228 Cb 0.01 -0.91 -0.04 0.00 0.10 0.00 0.00 34.13 33.28 2qqw s GLU 228 CO 0.01 -0.65 0.37 0.42 0.02 0.00 0.00 175.26 175.44 2qqw s ILE 229 N 2.41 5.25 0.11 -1.63 1.01 -1.26 -2.67 121.20 124.43 2qqw s ILE 229 Ca 0.09 0.72 0.10 0.00 0.00 0.00 0.00 60.65 61.56 2qqw s ILE 229 Cb -0.16 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2qqw s ILE 229 CO -0.14 0.37 -0.23 -0.76 0.00 0.00 0.00 174.94 174.19 2qqw s LEU 230 N 0.49 2.49 0.19 2.97 1.43 -1.26 -2.34 118.68 122.64 2qqw s LEU 230 Ca 0.21 -0.64 0.10 0.00 -1.03 0.00 0.00 54.13 52.76 2qqw s LEU 230 Cb -0.14 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 2qqw s LEU 230 CO 0.07 0.19 -0.20 -0.54 0.23 0.00 0.00 176.35 176.10 2qqw s LYS 231 N -1.99 1.38 -0.00 1.70 1.02 -0.62 -4.93 119.74 116.29 2qqw s LYS 231 Ca 0.15 -1.48 0.03 0.00 0.02 0.00 0.00 55.97 54.70 2qqw s LYS 231 Cb -0.10 -1.49 -0.03 0.00 -0.52 0.00 0.00 37.83 35.69 2qqw s LYS 231 CO 0.07 0.30 -0.09 -1.01 -0.92 0.00 0.00 175.35 173.71 2qqw s HIS 232 N -2.05 2.84 -0.13 3.18 3.76 0.21 -0.76 115.29 122.34 2qqw s HIS 232 Ca 0.19 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 2qqw s HIS 232 Cb -0.06 -1.60 -0.01 0.00 1.11 0.00 0.00 32.58 32.01 2qqw s HIS 232 CO 0.08 0.34 -0.14 0.08 -0.85 0.00 0.00 174.74 174.25 2qqw s VAL 233 N -0.95 2.97 -0.20 -0.90 1.01 -0.71 -0.72 120.40 120.90 2qqw s VAL 233 Ca 0.16 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2qqw s VAL 233 Cb -0.11 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 2qqw s VAL 233 CO 0.06 0.53 -0.08 -0.22 0.00 0.00 0.00 175.10 175.39 2qqw s LEU 234 N 0.33 2.76 -0.09 3.92 2.96 -1.01 -2.69 118.68 124.86 2qqw s LEU 234 Ca -0.11 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 2qqw s LEU 234 Cb -0.16 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 2qqw s LEU 234 CO 0.06 0.02 -0.13 -0.75 -1.32 0.00 0.00 176.35 174.24 2qqw s LYS 235 N 1.22 2.91 0.05 1.98 2.36 -0.18 -1.93 119.74 126.15 2qqw s LYS 235 Ca 0.02 -0.67 0.04 0.00 -2.55 0.00 0.00 55.97 52.81 2qqw s LYS 235 Cb -0.14 -2.52 -0.03 0.00 -1.05 0.00 0.00 37.83 34.09 2qqw s LYS 235 CO -0.03 0.46 -0.11 0.96 1.55 0.00 0.00 175.35 178.18 2qqw s ILE 236 N -0.29 0.83 -0.29 5.43 -4.36 -0.35 -1.07 121.20 121.11 2qqw s ILE 236 Ca 0.02 -1.14 -0.07 0.00 -0.26 0.00 0.00 60.65 59.20 2qqw s ILE 236 Cb -0.13 -0.83 -0.00 0.00 1.25 0.00 0.00 42.46 42.75 2qqw s ILE 236 CO 0.03 -0.26 0.09 -0.44 0.24 0.00 0.00 174.94 174.59 2qqw s SER 237 N -1.56 5.19 -0.52 4.36 0.01 0.10 -1.44 113.70 119.84 2qqw s SER 237 Ca -0.05 -0.56 -0.25 0.00 1.31 0.00 0.00 55.95 56.40 2qqw s SER 237 Cb -0.10 -1.91 0.03 0.00 0.21 0.00 0.00 66.02 64.26 2qqw s SER 237 CO 0.01 -0.16 0.97 -0.76 0.41 0.00 0.00 173.24 173.72 2qqw s LEU 238 N 1.55 3.97 0.42 2.44 1.43 -0.45 -0.00 118.68 128.04 2qqw s LEU 238 Ca 0.04 -0.11 0.18 0.00 -1.03 0.00 0.00 54.13 53.21 2qqw s LEU 238 Cb -0.17 -3.02 1.09 0.00 0.03 0.00 0.00 46.19 44.13 2qqw s LEU 238 CO 0.03 -1.20 1.84 -0.78 0.23 0.00 0.00 176.35 176.48 2qqw h ASP 239 N 9.26 0.41 0.14 2.29 -0.00 -1.79 0.12 116.42 126.85 2qqw h ASP 239 Ca -0.25 0.05 -0.01 0.00 -0.00 0.00 0.00 57.03 56.82 2qqw h ASP 239 Cb 1.07 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 40.38 2qqw h ASP 239 CO 1.08 0.15 -0.07 0.44 -0.00 0.00 0.00 179.24 180.84 2qqw h ASP 240 N 0.40 -0.16 1.58 2.28 3.45 -1.83 -3.33 116.42 118.81 2qqw h ASP 240 Ca 0.49 -0.38 0.00 0.00 0.43 0.00 0.00 57.03 57.57 2qqw h ASP 240 Cb 1.24 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 2qqw h ASP 240 CO -0.19 0.37 -0.14 0.71 -1.57 0.00 0.00 179.24 178.42 2qqw h THR 241 N -0.77 0.00 -5.78 0.35 1.35 -1.82 -3.48 112.91 102.76 2qqw h THR 241 Ca -0.02 -0.72 -0.37 0.00 -0.55 0.00 0.00 66.41 64.75 2qqw h THR 241 Cb 0.53 1.64 0.15 0.00 -1.73 0.00 0.00 68.15 68.74 2qqw h THR 241 CO 0.03 0.00 -0.71 0.29 -0.25 0.00 0.00 175.52 174.88 2qqw n LYS 242 N -2.60 -7.46 -4.18 4.72 4.01 0.39 -5.04 118.16 108.01 2qqw n LYS 242 Ca 0.04 0.83 -0.12 0.00 -0.51 0.00 0.00 58.31 58.56 2qqw n LYS 242 Cb 0.48 -5.88 -0.10 0.00 -0.51 0.00 0.00 35.03 29.02 2qqw n LYS 242 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 2qqw s HIS 243 N -3.34 0.98 -0.18 2.13 3.76 -1.23 -4.84 115.29 112.57 2qqw s HIS 243 Ca 0.37 -0.80 -0.08 0.00 -0.15 0.00 0.00 55.06 54.39 2qqw s HIS 243 Cb -0.16 -0.54 -0.05 0.00 1.11 0.00 0.00 32.58 32.94 2qqw s HIS 243 CO 0.73 -0.07 0.10 -0.51 -0.85 0.00 0.00 174.74 174.15 2qqw s ASP 244 N -2.83 6.01 0.10 1.40 1.11 -1.26 -1.34 116.67 119.87 2qqw s ASP 244 Ca 0.10 0.21 0.08 0.00 0.18 0.00 0.00 52.55 53.12 2qqw s ASP 244 Cb 0.02 -2.02 -0.03 0.00 1.07 0.00 0.00 42.92 41.95 2qqw s ASP 244 CO -0.02 0.22 -0.19 -0.31 1.18 0.00 0.00 175.17 176.04 2qqw s TYR 245 N 0.12 1.68 0.20 4.23 1.51 -0.52 -3.79 117.35 120.78 2qqw s TYR 245 Ca 0.08 -0.43 0.04 0.00 -1.01 0.00 0.00 57.07 55.74 2qqw s TYR 245 Cb -0.12 -0.91 -0.05 0.00 -0.11 0.00 0.00 41.96 40.77 2qqw s TYR 245 CO -0.00 0.19 -0.05 1.52 -1.11 0.00 0.00 175.55 176.10 2qqw s TYR 246 N -1.28 1.44 -0.05 2.71 -0.85 -0.85 -1.21 117.35 117.27 2qqw s TYR 246 Ca 0.06 -0.85 -0.03 0.00 -0.52 0.00 0.00 57.07 55.73 2qqw s TYR 246 Cb -0.10 -0.79 0.03 0.00 0.38 0.00 0.00 41.96 41.48 2qqw s TYR 246 CO 0.04 0.02 0.12 0.95 -1.52 0.00 0.00 175.55 175.15 2qqw s THR 247 N -3.37 -0.03 0.04 -3.49 -4.23 -0.81 -4.10 115.64 99.64 2qqw s THR 247 Ca 0.24 0.12 -0.21 0.00 -1.18 0.00 0.00 61.69 60.66 2qqw s THR 247 Cb 0.04 -0.19 -0.06 0.00 1.34 0.00 0.00 72.50 73.63 2qqw s THR 247 CO 0.05 0.05 0.62 -0.63 -0.54 0.00 0.00 174.62 174.17 2qqw s ILE 248 N 0.76 4.80 0.09 2.99 1.01 -1.26 -2.41 121.20 127.17 2qqw s ILE 248 Ca -0.06 1.31 -0.20 0.00 0.00 0.00 0.00 60.65 61.70 2qqw s ILE 248 Cb -0.08 -3.96 0.07 0.00 0.01 0.00 0.00 42.46 38.50 2qqw s ILE 248 CO -0.03 0.46 0.94 0.61 0.00 0.00 0.00 174.94 176.91 2qqw n GLY 249 N 2.17 0.55 3.90 6.18 0.00 0.10 -2.32 105.19 115.77 2qqw n GLY 249 Ca -0.07 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 2qqw n GLY 249 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qqw s THR 250 N -2.10 5.40 -0.33 2.61 -4.23 -0.54 0.65 115.64 117.09 2qqw s THR 250 Ca 0.21 -0.08 -0.09 0.00 -1.18 0.00 0.00 61.69 60.56 2qqw s THR 250 Cb -0.02 -3.55 0.02 0.00 1.34 0.00 0.00 72.50 70.29 2qqw s THR 250 CO 0.03 0.33 0.14 -0.47 -0.54 0.00 0.00 174.62 174.10 2qqw s TYR 251 N -1.33 3.20 -0.49 3.99 5.04 -1.26 -1.69 117.35 124.81 2qqw s TYR 251 Ca 0.28 -0.95 -0.26 0.00 -2.44 0.00 0.00 57.07 53.70 2qqw s TYR 251 Cb -0.13 -2.34 0.03 0.00 0.35 0.00 0.00 41.96 39.88 2qqw s TYR 251 CO 0.18 -0.59 0.98 0.34 -1.34 0.00 0.00 175.55 175.11 2qqw s ASP 252 N 1.53 6.48 0.27 4.32 -1.08 -0.66 -4.93 116.67 122.59 2qqw s ASP 252 Ca 0.02 0.07 0.02 0.00 -0.52 0.00 0.00 52.55 52.14 2qqw s ASP 252 Cb -0.18 -2.47 0.36 0.00 -1.46 0.00 0.00 42.92 39.17 2qqw s ASP 252 CO 0.05 -1.14 1.68 0.03 0.52 0.00 0.00 175.17 176.31 2qqw h ARG 253 N 9.18 0.48 0.05 4.34 2.47 -1.96 0.02 114.38 128.96 2qqw h ARG 253 Ca -0.24 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.27 2qqw h ARG 253 Cb 1.07 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 2qqw h ARG 253 CO 1.06 0.74 -0.02 0.28 0.56 0.00 0.00 179.97 182.58 2qqw h VAL 254 N 0.41 0.00 -0.13 2.04 2.07 -1.96 -3.06 116.25 115.61 2qqw h VAL 254 Ca 0.05 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.60 2qqw h VAL 254 Cb 0.75 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2qqw h VAL 254 CO 0.06 0.00 0.11 0.11 0.02 0.00 0.00 177.57 177.87 2qqw h LYS 255 N -0.07 0.00 -4.06 1.57 1.57 -2.01 -3.46 116.57 110.11 2qqw h LYS 255 Ca -0.01 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 2qqw h LYS 255 Cb 0.05 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.45 2qqw h LYS 255 CO 0.01 0.00 -0.44 -3.47 -0.57 0.00 0.00 179.45 174.99 2qqw n ASP 256 N -4.26 -3.76 -4.20 0.86 4.64 -0.09 -5.04 116.55 104.70 2qqw n ASP 256 Ca 0.00 -0.35 -0.25 0.00 -1.38 0.00 0.00 54.79 52.82 2qqw n ASP 256 Cb 0.23 -3.30 -0.15 0.00 -1.04 0.00 0.00 41.12 36.86 2qqw n ASP 256 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 2qqw s LYS 257 N -5.47 1.38 -0.19 -0.67 1.02 -0.73 -4.55 119.74 110.54 2qqw s LYS 257 Ca 0.23 -0.76 -0.18 0.00 0.02 0.00 0.00 55.97 55.28 2qqw s LYS 257 Cb -0.10 -1.39 -0.03 0.00 -0.52 0.00 0.00 37.83 35.78 2qqw s LYS 257 CO 0.45 0.37 0.52 0.12 -0.92 0.00 0.00 175.35 175.88 2qqw s PHE 258 N -0.60 3.39 -0.29 3.18 5.36 0.09 -1.65 117.98 127.46 2qqw s PHE 258 Ca 0.06 0.79 -0.00 0.00 -0.96 0.00 0.00 56.93 56.82 2qqw s PHE 258 Cb -0.08 -2.66 0.05 0.00 -0.34 0.00 0.00 43.02 40.00 2qqw s PHE 258 CO 0.00 -0.07 -0.03 0.08 -1.46 0.00 0.00 175.22 173.75 2qqw s VAL 259 N 1.53 2.76 0.11 3.12 1.01 -0.68 -4.72 120.40 123.52 2qqw s VAL 259 Ca 0.24 -1.48 -0.31 0.00 0.00 0.00 0.00 61.98 60.43 2qqw s VAL 259 Cb -0.15 -2.61 -0.07 0.00 0.00 0.00 0.00 36.38 33.54 2qqw s VAL 259 CO 0.10 -0.11 1.29 -2.84 0.00 0.00 0.00 175.10 173.54 2qqw s PRO 260 N 1.20 4.38 -0.62 2.72 0.02 -1.26 -1.47 135.00 139.97 2qqw s PRO 260 Ca -0.06 1.94 -0.27 0.00 0.02 0.00 0.00 61.00 62.64 2qqw s PRO 260 Cb -0.20 -3.28 -0.01 0.00 0.02 0.00 0.00 34.50 31.03 2qqw s PRO 260 CO -0.02 -0.32 1.73 0.16 -0.33 0.00 0.00 177.00 178.21 2qqw s ASP 261 N 0.94 5.49 0.55 2.53 1.47 -0.98 -4.93 116.67 121.75 2qqw s ASP 261 Ca 0.61 0.23 -0.19 0.00 1.18 0.00 0.00 52.55 54.37 2qqw s ASP 261 Cb -0.34 -2.54 -0.06 0.00 -0.34 0.00 0.00 42.92 39.65 2qqw s ASP 261 CO 0.31 -2.22 1.13 0.54 0.68 0.00 0.00 175.17 175.61 2qqw s ASN 262 N 7.06 5.69 -0.07 2.11 4.22 -1.26 -4.39 114.94 128.31 2qqw s ASN 262 Ca 0.61 2.18 0.04 0.00 -2.14 0.00 0.00 52.86 53.55 2qqw s ASN 262 Cb -0.12 -2.58 -0.02 0.00 1.28 0.00 0.00 41.25 39.81 2qqw s ASN 262 CO 0.20 -1.24 -0.21 -0.83 -2.04 0.00 0.00 177.10 172.99 2qqw s GLY 263 N -1.79 1.39 -0.26 0.45 0.00 -1.26 -5.24 107.32 100.62 2qqw s GLY 263 Ca 0.73 -1.01 -0.23 0.00 0.00 0.00 0.00 44.72 44.21 2qqw s GLY 263 CO 0.27 -0.60 0.38 0.69 0.00 0.00 0.00 173.10 173.84 2qqw n PHE 264 N 2.89 -1.53 -3.15 1.90 3.72 -1.26 -5.10 117.46 114.93 2qqw n PHE 264 Ca -0.17 0.64 0.05 0.00 -0.05 0.00 0.00 57.45 57.92 2qqw n PHE 264 Cb 0.52 -1.09 -0.01 0.00 -0.94 0.00 0.00 39.48 37.96 2qqw n PHE 264 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2qqw s GLY 268 N -0.92 -0.64 -1.48 1.37 0.00 -1.26 -5.03 107.32 99.35 2qqw s GLY 268 Ca 0.22 2.34 0.00 0.00 0.00 0.00 0.00 44.72 47.28 2qqw s GLY 268 CO 0.50 3.72 0.00 -1.30 0.00 0.00 0.00 173.10 176.02 2qqw n THR 269 N 5.42 -0.70 -3.78 0.90 -2.24 -1.26 -5.12 114.28 107.51 2qqw n THR 269 Ca -0.03 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 2qqw n THR 269 Cb 0.53 -2.39 -0.07 0.00 -2.10 0.00 0.00 70.33 66.31 2qqw n THR 269 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qqw s ALA 270 N -2.81 3.78 0.56 6.98 0.00 -1.26 -5.10 121.76 123.91 2qqw s ALA 270 Ca 0.00 -0.62 -0.21 0.00 0.00 0.00 0.00 51.96 51.13 2qqw s ALA 270 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 2qqw s ALA 270 CO 0.00 0.40 1.31 -2.14 0.00 0.00 0.00 175.76 175.33 2qqw s PRO 271 N -0.41 3.09 0.15 0.00 0.02 -1.26 -4.91 135.00 131.69 2qqw s PRO 271 Ca 0.13 2.11 0.06 0.00 0.02 0.00 0.00 61.00 63.32 2qqw s PRO 271 Cb -0.12 -2.17 -0.04 0.00 0.02 0.00 0.00 34.50 32.20 2qqw s PRO 271 CO 0.02 -1.19 0.06 1.03 -0.33 0.00 0.00 177.00 176.59 2qqw s ARG 272 N -3.01 2.67 0.17 5.54 0.52 -1.26 -2.00 118.95 121.57 2qqw s ARG 272 Ca 0.73 -0.94 -0.14 0.00 -0.52 0.00 0.00 55.73 54.86 2qqw s ARG 272 Cb -0.38 -2.53 0.07 0.00 0.52 0.00 0.00 34.95 32.63 2qqw s ARG 272 CO 0.43 0.49 1.83 1.88 0.02 0.00 0.00 175.30 179.95 2qqw h TYR 273 N 2.72 0.61 -3.51 -0.53 0.05 -1.93 -3.45 116.97 110.93 2qqw h TYR 273 Ca -0.47 0.02 -0.35 0.00 0.05 0.00 0.00 58.73 57.97 2qqw h TYR 273 Cb 1.19 -0.20 -0.34 0.00 1.01 0.00 0.00 36.73 38.39 2qqw h TYR 273 CO 0.60 0.38 -0.75 0.34 -1.05 0.00 0.00 178.16 177.68 2qqw s ASP 274 N -5.63 0.50 -0.12 3.88 3.68 -1.26 -4.31 116.67 113.40 2qqw s ASP 274 Ca -0.13 -0.05 0.13 0.00 2.13 0.00 0.00 52.55 54.63 2qqw s ASP 274 Cb 0.12 -0.25 0.60 0.00 -1.45 0.00 0.00 42.92 41.94 2qqw s ASP 274 CO 0.74 -0.08 1.46 -1.22 0.13 0.00 0.00 175.17 176.19 2qqw n TYR 275 N 4.04 1.35 -0.66 -5.34 4.01 0.59 -4.83 117.16 116.31 2qqw n TYR 275 Ca -0.26 -0.50 0.00 0.00 -0.16 0.00 0.00 57.90 56.98 2qqw n TYR 275 Cb 0.51 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 2qqw n TYR 275 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qqw n GLY 276 N 0.79 5.31 3.55 2.72 0.00 -1.26 -4.05 105.19 112.25 2qqw n GLY 276 Ca 0.21 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 2qqw n GLY 276 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qqw s LYS 277 N 4.01 3.23 -0.29 1.61 2.47 0.15 -4.82 119.74 126.11 2qqw s LYS 277 Ca 0.00 -0.20 -0.14 0.00 -1.56 0.00 0.00 55.97 54.07 2qqw s LYS 277 Cb 0.00 -4.16 0.10 0.00 -1.46 0.00 0.00 37.83 32.31 2qqw s LYS 277 CO 0.00 -2.07 0.69 -0.47 0.16 0.00 0.00 175.35 173.66 2qqw s TYR 278 N 5.57 -1.14 0.18 4.03 5.04 -1.26 -4.55 117.35 125.22 2qqw s TYR 278 Ca 0.36 2.15 -0.19 0.00 -2.44 0.00 0.00 57.07 56.94 2qqw s TYR 278 Cb -0.08 0.68 0.04 0.00 0.35 0.00 0.00 41.96 42.95 2qqw s TYR 278 CO 0.16 -0.56 0.54 -0.47 -1.34 0.00 0.00 175.55 173.88 2qqw s TYR 279 N 2.07 -0.28 -1.47 4.97 5.04 0.45 -4.21 117.35 123.91 2qqw s TYR 279 Ca -0.08 -0.02 -0.11 0.00 -2.44 0.00 0.00 57.07 54.41 2qqw s TYR 279 Cb -0.07 0.45 0.06 0.00 0.35 0.00 0.00 41.96 42.75 2qqw s TYR 279 CO -0.19 -0.88 0.84 0.00 -1.34 0.00 0.00 175.55 173.98 2qqw n ALA 280 N -0.34 -1.19 -1.76 3.97 0.00 -1.26 -1.26 120.51 118.66 2qqw n ALA 280 Ca -0.13 0.21 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 2qqw n ALA 280 Cb 0.63 -4.14 -0.01 0.00 0.00 0.00 0.00 19.45 15.93 2qqw n ALA 280 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2qqw s SER 281 N -3.08 6.19 -0.13 0.00 1.04 -1.26 -4.29 113.70 112.17 2qqw s SER 281 Ca 0.55 1.63 -0.18 0.00 0.48 0.00 0.00 55.95 58.43 2qqw s SER 281 Cb -0.27 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.38 2qqw s SER 281 CO 0.68 -0.89 0.46 -0.75 0.98 0.00 0.00 173.24 173.72 2qqw s LYS 282 N -4.31 0.64 0.31 4.02 2.20 -0.21 -4.90 119.74 117.48 2qqw s LYS 282 Ca 0.60 0.42 0.08 0.00 -0.36 0.00 0.00 55.97 56.71 2qqw s LYS 282 Cb -0.12 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 2qqw s LYS 282 CO 0.38 -0.12 0.23 0.95 -0.36 0.00 0.00 175.35 176.43 2qqw s THR 283 N -0.27 3.75 0.13 3.43 -4.23 -1.26 -0.53 115.64 116.66 2qqw s THR 283 Ca -0.04 -1.45 -0.07 0.00 -1.18 0.00 0.00 61.69 58.94 2qqw s THR 283 Cb -0.03 -3.21 -0.01 0.00 1.34 0.00 0.00 72.50 70.59 2qqw s THR 283 CO 0.03 -0.24 0.21 0.72 -0.54 0.00 0.00 174.62 174.79 2qqw s PHE 284 N -2.27 0.39 -0.26 3.99 -0.12 -0.61 -4.87 117.98 114.24 2qqw s PHE 284 Ca 0.37 -0.79 -0.19 0.00 -0.05 0.00 0.00 56.93 56.28 2qqw s PHE 284 Cb -0.06 -0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.17 2qqw s PHE 284 CO 0.25 -0.62 0.58 0.12 -0.05 0.00 0.00 175.22 175.50 2qqw s PHE 285 N -3.94 3.28 -0.86 3.49 5.36 -1.26 -2.03 117.98 122.02 2qqw s PHE 285 Ca 0.14 0.74 -0.20 0.00 -0.96 0.00 0.00 56.93 56.65 2qqw s PHE 285 Cb 0.05 -2.79 0.11 0.00 -0.34 0.00 0.00 43.02 40.05 2qqw s PHE 285 CO -0.04 -0.30 1.10 0.34 -1.46 0.00 0.00 175.22 174.86 2qqw s ASP 286 N 1.49 6.49 0.43 6.13 -1.08 -0.26 -4.56 116.67 125.31 2qqw s ASP 286 Ca 0.24 -1.71 0.21 0.00 -0.52 0.00 0.00 52.55 50.78 2qqw s ASP 286 Cb -0.16 -2.41 0.93 0.00 -1.46 0.00 0.00 42.92 39.82 2qqw s ASP 286 CO 0.09 -1.20 1.85 0.77 0.52 0.00 0.00 175.17 177.20 2qqw h SER 287 N 9.11 0.00 -0.55 -0.34 4.64 -1.94 0.58 113.55 125.05 2qqw h SER 287 Ca 0.03 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.37 2qqw h SER 287 Cb 1.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.09 2qqw h SER 287 CO 1.15 0.28 0.34 0.00 -0.87 0.00 0.00 176.83 177.73 2qqw h ALA 288 N 1.72 0.70 0.00 5.18 0.00 -1.96 -3.32 119.26 121.59 2qqw h ALA 288 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qqw h ALA 288 Cb 0.70 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qqw h ALA 288 CO 0.04 0.08 -0.01 1.63 0.00 0.00 0.00 179.25 180.98 2qqw n LYS 289 N -4.75 2.37 -3.80 0.00 5.02 -1.13 -5.03 118.16 110.83 2qqw n LYS 289 Ca 0.04 -1.74 -0.27 0.00 -2.02 0.00 0.00 58.31 54.33 2qqw n LYS 289 Cb 0.06 -1.10 0.01 0.00 -0.02 0.00 0.00 35.03 33.97 2qqw n LYS 289 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qqw n ASN 290 N -0.72 -2.23 -4.10 4.39 3.02 0.18 -4.90 115.26 110.89 2qqw n ASN 290 Ca 0.04 -0.97 -0.14 0.00 -0.03 0.00 0.00 54.58 53.48 2qqw n ASN 290 Cb 0.37 -3.39 -0.11 0.00 -0.61 0.00 0.00 39.78 36.04 2qqw n ASN 290 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qqw s ARG 291 N -6.22 0.64 -0.17 3.52 1.70 -1.14 -0.60 118.95 116.68 2qqw s ARG 291 Ca 0.17 -0.85 -0.16 0.00 -0.47 0.00 0.00 55.73 54.42 2qqw s ARG 291 Cb -0.06 -0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 33.83 2qqw s ARG 291 CO 0.86 0.09 0.39 0.50 -1.08 0.00 0.00 175.30 176.05 2qqw s ARG 292 N -1.76 4.23 -0.13 3.89 3.52 -1.26 -1.10 118.95 126.34 2qqw s ARG 292 Ca -0.06 0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.72 2qqw s ARG 292 Cb -0.09 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 2qqw s ARG 292 CO 0.01 0.08 0.03 0.42 -0.81 0.00 0.00 175.30 175.02 2qqw s ILE 293 N 0.94 4.51 -0.19 4.11 1.09 -0.86 -1.51 121.20 129.29 2qqw s ILE 293 Ca 0.20 -0.15 -0.05 0.00 -1.10 0.00 0.00 60.65 59.54 2qqw s ILE 293 Cb -0.14 -2.96 -0.03 0.00 -1.06 0.00 0.00 42.46 38.27 2qqw s ILE 293 CO 0.07 0.54 0.01 -0.22 -0.10 0.00 0.00 174.94 175.25 2qqw s LEU 294 N -0.31 3.43 -0.08 2.97 2.96 0.89 -1.57 118.68 126.96 2qqw s LEU 294 Ca 0.07 -0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 2qqw s LEU 294 Cb -0.12 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2qqw s LEU 294 CO 0.02 0.12 0.07 0.26 -1.32 0.00 0.00 176.35 175.50 2qqw s TRP 295 N 0.70 3.36 -0.05 5.38 0.52 0.31 -1.09 118.94 128.07 2qqw s TRP 295 Ca 0.01 0.32 -0.04 0.00 0.02 0.00 0.00 56.10 56.41 2qqw s TRP 295 Cb -0.14 -1.83 0.02 0.00 -1.15 0.00 0.00 33.47 30.37 2qqw s TRP 295 CO 0.02 0.59 0.13 0.20 0.02 0.00 0.00 176.95 177.91 2qqw s GLY 296 N -1.14 -0.08 -0.18 0.98 0.00 -1.26 -1.05 107.32 104.60 2qqw s GLY 296 Ca 0.16 0.42 -0.20 0.00 0.00 0.00 0.00 44.72 45.10 2qqw s GLY 296 CO 0.06 0.45 0.59 0.86 0.00 0.00 0.00 173.10 175.05 2qqw s TRP 297 N 0.30 3.41 -0.31 1.90 -0.00 -0.39 -1.65 118.94 122.20 2qqw s TRP 297 Ca -0.02 0.91 -0.04 0.00 -0.00 0.00 0.00 56.10 56.95 2qqw s TRP 297 Cb -0.03 -2.73 0.04 0.00 -0.00 0.00 0.00 33.47 30.74 2qqw s TRP 297 CO -0.01 -0.09 0.05 0.99 -0.00 0.00 0.00 176.95 177.89 2qqw s THR 298 N 1.57 3.43 0.94 5.86 2.01 -0.69 -0.41 115.64 128.34 2qqw s THR 298 Ca 0.28 -1.18 -0.14 0.00 0.31 0.00 0.00 61.69 60.96 2qqw s THR 298 Cb -0.16 -2.92 0.20 0.00 0.01 0.00 0.00 72.50 69.63 2qqw s THR 298 CO 0.11 -0.10 1.29 0.54 -0.69 0.00 0.00 174.62 175.77 2qqw s ASN 299 N 1.35 3.20 0.42 3.53 4.22 -1.26 -2.41 114.94 123.99 2qqw s ASN 299 Ca -0.03 0.14 -0.22 0.00 -2.14 0.00 0.00 52.86 50.61 2qqw s ASN 299 Cb -0.19 -0.20 -0.10 0.00 1.28 0.00 0.00 41.25 42.04 2qqw s ASN 299 CO 0.01 -2.67 1.00 -1.61 -2.04 0.00 0.00 177.10 171.80 2qqw s GLU 300 N -5.81 4.15 0.00 3.55 0.41 -1.26 -4.88 118.70 114.85 2qqw s GLU 300 Ca 0.74 1.34 0.17 0.00 -0.41 0.00 0.00 54.97 56.81 2qqw s GLU 300 Cb -0.04 -2.36 -0.15 0.00 -1.78 0.00 0.00 34.13 29.80 2qqw s GLU 300 CO 0.52 -0.13 0.75 0.43 -0.49 0.00 0.00 175.26 176.35 2qqw n SER 301 N -0.37 0.97 -4.68 -0.19 7.64 -1.26 -4.97 113.62 110.75 2qqw n SER 301 Ca 0.06 -0.98 -0.29 0.00 1.01 0.00 0.00 58.87 58.67 2qqw n SER 301 Cb 0.52 0.91 0.17 0.00 -1.01 0.00 0.00 64.21 64.79 2qqw n SER 301 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2qqw s SER 302 N -2.50 2.72 0.76 6.43 1.04 -1.26 0.76 113.70 121.64 2qqw s SER 302 Ca 0.08 1.27 -0.11 0.00 0.48 0.00 0.00 55.95 57.67 2qqw s SER 302 Cb 0.13 -1.94 0.05 0.00 0.10 0.00 0.00 66.02 64.36 2qqw s SER 302 CO 0.65 -3.08 1.10 -0.94 0.98 0.00 0.00 173.24 171.95 2qqw s SER 303 N -3.40 4.53 0.38 7.02 1.04 -1.26 -4.79 113.70 117.20 2qqw s SER 303 Ca 0.65 1.88 0.11 0.00 0.48 0.00 0.00 55.95 59.07 2qqw s SER 303 Cb -0.19 -2.53 0.74 0.00 0.10 0.00 0.00 66.02 64.14 2qqw s SER 303 CO 0.58 -2.02 1.85 1.62 0.98 0.00 0.00 173.24 176.25 2qqw h VAL 304 N -0.95 1.23 -0.58 5.02 3.04 -1.96 -2.60 116.25 119.45 2qqw h VAL 304 Ca -0.44 -1.10 0.07 0.00 -1.01 0.00 0.00 66.70 64.22 2qqw h VAL 304 Cb 1.24 1.53 -0.06 0.00 -2.01 0.00 0.00 31.29 31.99 2qqw h VAL 304 CO 0.51 0.32 0.25 -0.08 -1.01 0.00 0.00 177.57 177.57 2qqw h GLU 305 N 0.07 0.45 -0.26 4.17 4.81 -2.01 -2.21 114.58 119.61 2qqw h GLU 305 Ca 0.01 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.04 2qqw h GLU 305 Cb 0.57 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2qqw h GLU 305 CO 0.04 0.30 -0.51 -0.44 -0.73 0.00 0.00 179.01 177.67 2qqw h ASP 306 N 0.47 0.80 0.06 1.04 3.45 -1.86 -2.84 116.42 117.53 2qqw h ASP 306 Ca 0.28 -0.41 0.02 0.00 0.43 0.00 0.00 57.03 57.35 2qqw h ASP 306 Cb 0.28 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 38.79 2qqw h ASP 306 CO -0.24 1.17 -0.23 0.44 -1.57 0.00 0.00 179.24 178.80 2qqw h ASP 307 N 0.57 -0.67 -0.98 6.45 3.32 -1.20 0.45 116.42 124.36 2qqw h ASP 307 Ca 0.02 0.09 0.13 0.00 0.02 0.00 0.00 57.03 57.29 2qqw h ASP 307 Cb 1.09 0.27 -0.08 0.00 0.22 0.00 0.00 39.33 40.82 2qqw h ASP 307 CO 0.11 -0.31 0.62 0.58 -1.72 0.00 0.00 179.24 178.52 2qqw h VAL 308 N -0.40 0.88 -0.12 -1.35 2.07 -1.38 0.13 116.25 116.09 2qqw h VAL 308 Ca 0.05 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 2qqw h VAL 308 Cb 0.45 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2qqw h VAL 308 CO -0.17 0.17 -0.36 -0.08 0.02 0.00 0.00 177.57 177.14 2qqw h GLU 309 N 0.92 0.46 0.00 1.57 4.81 -1.14 -3.16 114.58 118.04 2qqw h GLU 309 Ca 0.50 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2qqw h GLU 309 Cb 0.57 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2qqw h GLU 309 CO -0.26 0.95 0.00 1.57 -0.73 0.00 0.00 179.01 180.54 2qqw h LYS 310 N 0.05 0.00 0.00 1.92 2.10 -0.48 -3.47 116.57 116.69 2qqw h LYS 310 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2qqw h LYS 310 Cb 0.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 2qqw h LYS 310 CO 0.08 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.94 2qqw n GLY 311 N 0.49 0.73 3.46 0.07 0.00 0.42 -4.98 105.19 105.38 2qqw n GLY 311 Ca 0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2qqw n GLY 311 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2qqw s TRP 312 N -2.00 0.16 -0.28 1.61 1.48 -1.20 0.41 118.94 119.12 2qqw s TRP 312 Ca 0.00 -0.51 -0.13 0.00 -1.06 0.00 0.00 56.10 54.39 2qqw s TRP 312 Cb 0.00 0.18 0.10 0.00 -1.16 0.00 0.00 33.47 32.59 2qqw s TRP 312 CO 0.00 -0.85 0.66 0.45 -4.06 0.00 0.00 176.95 173.15 2qqw s SER 313 N -2.93 -1.00 0.00 -2.66 0.15 -0.92 -4.63 113.70 101.70 2qqw s SER 313 Ca 0.14 1.52 0.00 0.00 0.70 0.00 0.00 55.95 58.31 2qqw s SER 313 Cb 0.01 1.72 0.00 0.00 -1.71 0.00 0.00 66.02 66.04 2qqw s SER 313 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2qqw n GLY 314 N 4.76 0.32 3.23 9.45 0.00 -1.26 -0.26 105.19 121.43 2qqw n GLY 314 Ca -0.17 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 2qqw n GLY 314 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qqw s ILE 315 N -1.27 0.47 -0.01 -0.61 -4.36 -1.01 -4.60 121.20 109.81 2qqw s ILE 315 Ca 0.00 -1.97 -0.01 0.00 -0.26 0.00 0.00 60.65 58.41 2qqw s ILE 315 Cb 0.00 -2.23 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 2qqw s ILE 315 CO 0.00 -0.35 0.09 -1.10 0.24 0.00 0.00 174.94 173.82 2qqw s GLN 316 N -3.99 3.11 1.12 0.37 -1.52 -0.38 -1.70 119.66 116.67 2qqw s GLN 316 Ca 0.28 -0.46 -0.13 0.00 -1.95 0.00 0.00 55.36 53.10 2qqw s GLN 316 Cb 0.07 -2.89 0.26 0.00 -0.22 0.00 0.00 33.01 30.23 2qqw s GLN 316 CO 0.06 0.65 1.05 0.95 -0.25 0.00 0.00 175.29 177.75 2qqw s THR 317 N -1.20 2.04 0.22 -0.19 -4.23 -0.66 -3.80 115.64 107.82 2qqw s THR 317 Ca 0.23 0.01 -0.31 0.00 -1.18 0.00 0.00 61.69 60.45 2qqw s THR 317 Cb -0.12 -2.19 -0.10 0.00 1.34 0.00 0.00 72.50 71.43 2qqw s THR 317 CO 0.14 -0.02 1.51 -0.63 -0.54 0.00 0.00 174.62 175.08 2qqw s ILE 318 N -2.60 2.60 0.25 2.99 -1.09 -1.26 -4.72 121.20 117.36 2qqw s ILE 318 Ca 0.68 0.47 -0.30 0.00 -2.23 0.00 0.00 60.65 59.26 2qqw s ILE 318 Cb -0.23 -3.30 -0.10 0.00 -1.58 0.00 0.00 42.46 37.25 2qqw s ILE 318 CO 0.63 0.06 1.40 -2.84 -1.23 0.00 0.00 174.94 172.95 2qqw s PRO 319 N 0.26 4.30 0.00 2.79 0.02 -1.26 -4.83 135.00 136.28 2qqw s PRO 319 Ca 0.64 2.24 0.02 0.00 0.02 0.00 0.00 61.00 63.93 2qqw s PRO 319 Cb -0.43 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 30.93 2qqw s PRO 319 CO 0.39 -0.35 -0.03 -0.98 -0.33 0.00 0.00 177.00 175.69 2qqw s ARG 320 N -0.52 2.66 0.27 5.54 1.70 -0.25 -0.85 118.95 127.51 2qqw s ARG 320 Ca 0.57 -0.67 -0.29 0.00 -0.47 0.00 0.00 55.73 54.87 2qqw s ARG 320 Cb -0.40 -2.58 -0.09 0.00 -0.57 0.00 0.00 34.95 31.30 2qqw s ARG 320 CO 0.44 0.61 1.15 0.21 -1.08 0.00 0.00 175.30 176.63 2qqw s LYS 321 N -1.50 4.57 -0.04 3.89 2.20 0.92 -0.08 119.74 129.70 2qqw s LYS 321 Ca 0.18 1.88 0.01 0.00 -0.36 0.00 0.00 55.97 57.68 2qqw s LYS 321 Cb -0.11 -3.18 0.02 0.00 -1.51 0.00 0.00 37.83 33.05 2qqw s LYS 321 CO 0.09 0.10 -0.04 -1.50 -0.36 0.00 0.00 175.35 173.65 2qqw s ILE 322 N -1.00 0.48 0.26 5.43 2.07 -0.57 -1.26 121.20 126.61 2qqw s ILE 322 Ca 0.46 -0.09 -0.06 0.00 -1.41 0.00 0.00 60.65 59.56 2qqw s ILE 322 Cb -0.33 -0.52 -0.01 0.00 0.13 0.00 0.00 42.46 41.73 2qqw s ILE 322 CO 0.42 0.21 0.37 -1.66 -1.91 0.00 0.00 174.94 172.38 2qqw s TRP 323 N 0.94 0.84 0.08 3.50 -2.14 -0.58 -4.32 118.94 117.24 2qqw s TRP 323 Ca -0.11 -1.10 -0.28 0.00 2.66 0.00 0.00 56.10 57.27 2qqw s TRP 323 Cb -0.14 -0.13 -0.06 0.00 -3.10 0.00 0.00 33.47 30.04 2qqw s TRP 323 CO -0.00 -0.93 0.87 -1.17 -2.66 0.00 0.00 176.95 173.06 2qqw s LEU 324 N -3.13 4.47 0.59 -4.66 0.20 -1.26 -0.21 118.68 114.68 2qqw s LEU 324 Ca 0.30 1.63 -0.17 0.00 0.69 0.00 0.00 54.13 56.58 2qqw s LEU 324 Cb 0.02 -3.42 -0.03 0.00 -0.43 0.00 0.00 46.19 42.32 2qqw s LEU 324 CO 0.14 -0.03 1.10 -0.62 -0.29 0.00 0.00 176.35 176.65 2qqw s ASP 325 N 0.00 5.54 0.31 3.68 -1.08 -0.49 -4.74 116.67 119.89 2qqw s ASP 325 Ca 0.43 2.03 0.04 0.00 -0.52 0.00 0.00 52.55 54.54 2qqw s ASP 325 Cb -0.22 -2.56 0.65 0.00 -1.46 0.00 0.00 42.92 39.33 2qqw s ASP 325 CO 0.27 -1.34 1.85 0.03 0.52 0.00 0.00 175.17 176.50 2qqw h ARG 326 N 0.66 0.86 0.00 4.34 3.08 -1.89 0.77 114.38 122.20 2qqw h ARG 326 Ca -0.48 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 2qqw h ARG 326 Cb 1.25 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 2qqw h ARG 326 CO 0.56 0.57 -0.05 0.66 -1.07 0.00 0.00 179.97 180.64 2qqw h SER 327 N 0.89 0.00 0.00 7.04 4.64 -1.93 -3.47 113.55 120.72 2qqw h SER 327 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2qqw h SER 327 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2qqw h SER 327 CO -0.24 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.38 2qqw n GLY 328 N -1.40 0.51 0.02 -0.77 0.00 0.26 -4.91 105.19 98.90 2qqw n GLY 328 Ca -0.03 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.03 2qqw n GLY 328 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qqw n LYS 329 N -2.96 0.28 -3.76 1.61 5.02 -1.26 -4.97 118.16 112.12 2qqw n LYS 329 Ca 0.00 -0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.16 2qqw n LYS 329 Cb 0.00 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.40 2qqw n LYS 329 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2qqw s GLN 330 N -3.20 1.31 0.19 1.97 -2.07 -1.26 -4.93 119.66 111.68 2qqw s GLN 330 Ca 0.03 -0.89 -0.08 0.00 -1.82 0.00 0.00 55.36 52.60 2qqw s GLN 330 Cb 0.15 0.49 -0.07 0.00 -1.09 0.00 0.00 33.01 32.49 2qqw s GLN 330 CO 0.83 -0.54 0.49 -0.51 -1.32 0.00 0.00 175.29 174.23 2qqw s LEU 331 N -2.88 4.21 -0.13 2.60 1.43 -1.26 -1.40 118.68 121.25 2qqw s LEU 331 Ca 0.10 0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 53.98 2qqw s LEU 331 Cb -0.00 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 2qqw s LEU 331 CO -0.04 -0.02 -0.05 -0.63 0.23 0.00 0.00 176.35 175.84 2qqw s ILE 332 N -1.75 3.77 0.10 -0.59 1.01 0.71 -4.82 121.20 119.62 2qqw s ILE 332 Ca 0.45 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.77 2qqw s ILE 332 Cb -0.12 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 2qqw s ILE 332 CO 0.22 0.53 -0.20 -1.10 0.00 0.00 0.00 174.94 174.39 2qqw s GLN 333 N -0.01 1.78 -0.24 2.79 -0.21 -1.04 -1.53 119.66 121.21 2qqw s GLN 333 Ca 0.00 -1.16 -0.12 0.00 0.02 0.00 0.00 55.36 54.10 2qqw s GLN 333 Cb -0.13 -2.09 0.08 0.00 1.00 0.00 0.00 33.01 31.87 2qqw s GLN 333 CO 0.03 0.49 0.57 -0.46 -2.12 0.00 0.00 175.29 173.80 2qqw s TRP 334 N -1.06 -0.91 0.13 0.91 -0.11 -0.39 -4.19 118.94 113.32 2qqw s TRP 334 Ca 0.16 1.82 -0.35 0.00 1.22 0.00 0.00 56.10 58.95 2qqw s TRP 334 Cb -0.10 0.50 -0.16 0.00 -1.50 0.00 0.00 33.47 32.20 2qqw s TRP 334 CO 0.08 -0.47 1.19 -2.30 -4.62 0.00 0.00 176.95 170.82 2qqw n PRO 335 N 4.47 1.00 -1.46 5.86 -0.02 -1.26 -0.06 135.00 143.53 2qqw n PRO 335 Ca -0.20 0.36 -0.45 0.00 -2.02 0.00 0.00 63.50 61.19 2qqw n PRO 335 Cb 0.56 -1.88 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 2qqw n PRO 335 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2qqw n VAL 336 N 1.78 1.86 0.30 -1.45 0.24 -0.03 -4.69 118.33 116.34 2qqw n VAL 336 Ca 0.17 -0.50 0.18 0.00 -2.04 0.00 0.00 64.34 62.15 2qqw n VAL 336 Cb 0.21 -0.41 0.92 0.00 -1.47 0.00 0.00 33.84 33.09 2qqw n VAL 336 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2qqw h ARG 337 N 1.22 0.00 -0.49 7.34 3.08 -1.91 -2.74 114.38 120.89 2qqw h ARG 337 Ca -0.34 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.79 2qqw h ARG 337 Cb 1.40 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.42 2qqw h ARG 337 CO 0.56 0.04 0.33 0.93 -1.07 0.00 0.00 179.97 180.76 2qqw h GLU 338 N 0.00 0.30 0.00 0.04 3.07 -1.86 -1.38 114.58 114.75 2qqw h GLU 338 Ca -0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2qqw h GLU 338 Cb 0.23 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 2qqw h GLU 338 CO 0.00 0.20 0.00 -0.24 -1.40 0.00 0.00 179.01 177.57 2qqw h VAL 339 N 0.31 0.00 0.00 3.13 3.04 -1.80 -1.39 116.25 119.54 2qqw h VAL 339 Ca 0.22 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.85 2qqw h VAL 339 Cb 0.48 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 2qqw h VAL 339 CO -0.05 0.00 0.00 -0.33 -1.01 0.00 0.00 177.57 176.18 2qqw h GLU 340 N 0.00 0.00 0.00 4.17 5.08 -1.46 -2.74 114.58 119.63 2qqw h GLU 340 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2qqw h GLU 340 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2qqw h GLU 340 CO 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 179.01 177.88 2qqw h ARG 341 N 0.00 0.00 0.00 2.33 3.08 -1.43 -2.25 114.38 116.11 2qqw h ARG 341 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qqw h ARG 341 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2qqw h ARG 341 CO 0.00 0.13 0.00 1.28 -1.07 0.00 0.00 179.97 180.31 2qqw n LEU 342 N -3.82 0.00 -4.77 3.04 4.77 -1.03 -4.83 117.00 110.36 2qqw n LEU 342 Ca -0.02 0.48 -0.41 0.00 -0.03 0.00 0.00 56.01 56.03 2qqw n LEU 342 Cb 0.23 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 2qqw n LEU 342 CO 0.31 -0.13 1.05 -0.13 -1.33 0.00 0.00 177.39 177.17 2qqw s ARG 343 N -2.95 4.27 1.05 3.23 0.52 -0.85 0.27 118.95 124.49 2qqw s ARG 343 Ca 0.11 2.34 -0.12 0.00 -0.52 0.00 0.00 55.73 57.55 2qqw s ARG 343 Cb 0.14 -3.05 0.22 0.00 0.52 0.00 0.00 34.95 32.78 2qqw s ARG 343 CO 0.38 -0.33 1.07 -0.08 0.02 0.00 0.00 175.30 176.36 2qqw s THR 344 N -0.92 2.14 -0.08 0.02 -1.32 0.23 -4.84 115.64 110.87 2qqw s THR 344 Ca 0.52 0.04 -0.27 0.00 -1.21 0.00 0.00 61.69 60.78 2qqw s THR 344 Cb -0.42 -2.18 -0.23 0.00 -1.51 0.00 0.00 72.50 68.16 2qqw s THR 344 CO 0.54 -0.06 1.01 0.11 -2.21 0.00 0.00 174.62 174.02 2qqw h LYS 345 N -2.24 0.03 -6.06 7.08 1.79 -1.95 -3.43 116.57 111.80 2qqw h LYS 345 Ca -0.55 -0.03 -0.51 0.00 -2.18 0.00 0.00 60.65 57.38 2qqw h LYS 345 Cb 1.31 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.93 2qqw h LYS 345 CO 0.49 0.78 1.30 -0.65 -1.08 0.00 0.00 179.45 180.30 2qqw s GLN 346 N -3.19 2.77 -0.09 3.15 1.11 -1.26 -4.98 119.66 117.17 2qqw s GLN 346 Ca -0.17 0.54 -0.25 0.00 0.01 0.00 0.00 55.36 55.49 2qqw s GLN 346 Cb -0.00 -4.34 -0.03 0.00 -1.01 0.00 0.00 33.01 27.63 2qqw s GLN 346 CO 0.69 -2.57 0.77 0.54 0.01 0.00 0.00 175.29 174.73 2qqw s VAL 347 N 8.39 4.98 -0.28 1.09 0.11 -1.26 -4.69 120.40 128.74 2qqw s VAL 347 Ca 0.63 1.56 -0.24 0.00 -2.93 0.00 0.00 61.98 61.00 2qqw s VAL 347 Cb -0.12 -4.10 -0.00 0.00 -1.53 0.00 0.00 36.38 30.63 2qqw s VAL 347 CO 0.21 0.17 0.83 -0.75 -3.33 0.00 0.00 175.10 172.23 2qqw s LYS 348 N 1.25 4.05 0.02 1.54 2.47 -0.31 -4.95 119.74 123.81 2qqw s LYS 348 Ca 0.39 0.76 0.08 0.00 -1.56 0.00 0.00 55.97 55.64 2qqw s LYS 348 Cb -0.18 -3.70 -0.02 0.00 -1.46 0.00 0.00 37.83 32.47 2qqw s LYS 348 CO 0.17 -0.64 -0.25 1.21 0.16 0.00 0.00 175.35 176.01 2qqw s ASN 349 N 1.52 2.94 -0.06 1.43 3.04 -1.26 -0.65 114.94 121.90 2qqw s ASN 349 Ca 0.34 -0.52 -0.02 0.00 0.04 0.00 0.00 52.86 52.70 2qqw s ASN 349 Cb -0.14 -0.29 0.03 0.00 -1.54 0.00 0.00 41.25 39.31 2qqw s ASN 349 CO 0.11 0.26 0.05 -0.76 -3.04 0.00 0.00 177.10 173.72 2qqw s LEU 350 N -0.98 0.27 0.20 3.21 1.43 -0.12 -4.99 118.68 117.70 2qqw s LEU 350 Ca 0.10 -0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.24 2qqw s LEU 350 Cb -0.10 -0.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.87 2qqw s LEU 350 CO 0.01 -0.25 0.08 -0.13 0.23 0.00 0.00 176.35 176.29 2qqw s ARG 351 N 2.12 2.63 -0.86 1.70 0.52 -1.26 -0.85 118.95 122.95 2qqw s ARG 351 Ca 0.05 -1.08 -0.11 0.00 -0.52 0.00 0.00 55.73 54.07 2qqw s ARG 351 Cb -0.13 -2.45 0.02 0.00 0.52 0.00 0.00 34.95 32.91 2qqw s ARG 351 CO -0.04 0.44 0.21 0.09 0.02 0.00 0.00 175.30 176.02 2qqw n ASN 352 N -0.51 -0.96 -4.92 0.23 4.13 -0.61 -4.92 115.26 107.70 2qqw n ASN 352 Ca -0.08 -0.81 -0.25 0.00 1.68 0.00 0.00 54.58 55.11 2qqw n ASN 352 Cb 0.56 -0.99 -0.03 0.00 -1.54 0.00 0.00 39.78 37.78 2qqw n ASN 352 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2qqw s LYS 353 N -6.15 3.32 -0.22 3.52 -0.14 -0.66 -4.97 119.74 114.44 2qqw s LYS 353 Ca 0.15 -0.69 -0.01 0.00 -1.36 0.00 0.00 55.97 54.07 2qqw s LYS 353 Cb -0.09 -2.88 0.02 0.00 -1.68 0.00 0.00 37.83 33.20 2qqw s LYS 353 CO 0.62 0.50 -0.10 0.08 -0.76 0.00 0.00 175.35 175.68 2qqw s VAL 354 N -1.79 2.68 -0.69 3.17 1.01 -1.26 -0.97 120.40 122.55 2qqw s VAL 354 Ca 0.34 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 2qqw s VAL 354 Cb -0.10 -2.28 0.13 0.00 0.00 0.00 0.00 36.38 34.13 2qqw s VAL 354 CO 0.27 0.34 0.80 -0.76 0.00 0.00 0.00 175.10 175.75 2qqw s LEU 355 N 1.33 5.52 0.91 3.92 1.43 -0.68 -5.00 118.68 126.11 2qqw s LEU 355 Ca 0.02 -1.73 -0.11 0.00 -1.03 0.00 0.00 54.13 51.28 2qqw s LEU 355 Cb -0.15 -2.31 0.14 0.00 0.03 0.00 0.00 46.19 43.90 2qqw s LEU 355 CO -0.07 -1.03 1.09 -0.54 0.23 0.00 0.00 176.35 176.03 2qqw s LYS 356 N 2.33 1.14 0.10 1.70 1.02 -1.26 -2.18 119.74 122.59 2qqw s LYS 356 Ca 0.17 0.91 -0.36 0.00 0.02 0.00 0.00 55.97 56.70 2qqw s LYS 356 Cb -0.18 -1.79 -0.17 0.00 -0.52 0.00 0.00 37.83 35.17 2qqw s LYS 356 CO 0.01 -2.35 1.29 0.45 -0.92 0.00 0.00 175.35 173.83 2qqw n SER 357 N -3.97 1.50 -0.44 2.83 2.88 -1.26 -1.58 113.62 113.59 2qqw n SER 357 Ca 0.07 1.13 -0.06 0.00 -1.33 0.00 0.00 58.87 58.68 2qqw n SER 357 Cb 0.55 -1.18 -0.02 0.00 -0.75 0.00 0.00 64.21 62.80 2qqw n SER 357 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qqw n GLY 358 N 2.38 0.79 3.94 0.46 0.00 0.54 -5.00 105.19 108.30 2qqw n GLY 358 Ca 0.18 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 2qqw n GLY 358 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qqw s SER 359 N -2.62 5.81 0.04 1.61 1.04 -0.61 -4.95 113.70 114.02 2qqw s SER 359 Ca 0.00 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.21 2qqw s SER 359 Cb 0.00 -1.29 -0.03 0.00 0.10 0.00 0.00 66.02 64.81 2qqw s SER 359 CO 0.00 -0.31 -0.05 -0.13 0.98 0.00 0.00 173.24 173.72 2qqw s ARG 360 N -4.06 0.47 -0.24 4.02 0.52 -1.26 -1.78 118.95 116.61 2qqw s ARG 360 Ca 0.41 -0.78 -0.03 0.00 -0.52 0.00 0.00 55.73 54.81 2qqw s ARG 360 Cb -0.08 -0.09 0.08 0.00 0.52 0.00 0.00 34.95 35.38 2qqw s ARG 360 CO 0.29 -0.01 0.09 -1.17 0.02 0.00 0.00 175.30 174.52 2qqw s LEU 361 N -1.75 1.04 0.18 2.53 2.96 0.51 -4.98 118.68 119.18 2qqw s LEU 361 Ca -0.09 -1.08 -0.31 0.00 -0.22 0.00 0.00 54.13 52.43 2qqw s LEU 361 Cb -0.07 -0.51 -0.09 0.00 0.50 0.00 0.00 46.19 46.02 2qqw s LEU 361 CO -0.01 -0.38 1.45 -0.70 -1.32 0.00 0.00 176.35 175.39 2qqw s GLU 362 N 1.94 4.28 -0.18 1.98 2.12 -1.26 -1.82 118.70 125.75 2qqw s GLU 362 Ca 0.05 2.23 -0.23 0.00 0.36 0.00 0.00 54.97 57.38 2qqw s GLU 362 Cb -0.17 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 2qqw s GLU 362 CO -0.20 -0.46 0.72 0.08 -0.54 0.00 0.00 175.26 174.86 2qqw s VAL 363 N 0.64 4.96 0.24 3.70 1.01 0.53 -4.96 120.40 126.53 2qqw s VAL 363 Ca 0.64 1.38 0.07 0.00 0.00 0.00 0.00 61.98 64.07 2qqw s VAL 363 Cb -0.40 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2qqw s VAL 363 CO 0.36 0.08 0.16 -0.31 0.00 0.00 0.00 175.10 175.39 2qqw s TYR 364 N 1.99 3.06 -0.50 5.22 1.51 -1.26 -4.38 117.35 122.98 2qqw s TYR 364 Ca 0.33 -0.12 -0.03 0.00 -1.01 0.00 0.00 57.07 56.24 2qqw s TYR 364 Cb -0.16 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 2qqw s TYR 364 CO 0.11 0.53 0.44 0.41 -1.11 0.00 0.00 175.55 175.94 2qqw n GLY 365 N -1.05 0.37 3.17 0.71 0.00 -1.26 -4.94 105.19 102.19 2qqw n GLY 365 Ca -0.08 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 2qqw n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qqw s VAL 366 N -3.12 -0.01 -0.56 1.61 1.01 -1.26 -4.83 120.40 113.24 2qqw s VAL 366 Ca 0.20 0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 2qqw s VAL 366 Cb -0.09 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 2qqw s VAL 366 CO 0.27 0.01 1.94 0.42 0.00 0.00 0.00 175.10 177.74 2qqw s THR 367 N 0.42 3.31 0.02 3.92 -4.23 -1.26 -4.85 115.64 112.98 2qqw s THR 367 Ca -0.02 0.20 0.32 0.00 -1.18 0.00 0.00 61.69 61.01 2qqw s THR 367 Cb -0.04 -3.77 0.38 0.00 1.34 0.00 0.00 72.50 70.42 2qqw s THR 367 CO -0.02 -0.72 1.94 0.00 -0.54 0.00 0.00 174.62 175.28 2qqw h ALA 368 N 15.46 1.00 -0.01 3.99 0.00 -1.82 -2.63 119.26 135.24 2qqw h ALA 368 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2qqw h ALA 368 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2qqw h ALA 368 CO 1.19 0.00 -0.32 0.00 0.00 0.00 0.00 179.25 180.12 2qqw n ALA 369 N -2.08 3.21 -3.19 0.00 0.00 -1.26 -4.56 120.51 112.63 2qqw n ALA 369 Ca 0.01 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.81 2qqw n ALA 369 Cb 0.33 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 2qqw n ALA 369 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2qqw n GLN 370 N -0.67 0.39 -3.92 0.00 7.27 -0.99 0.38 117.38 119.84 2qqw n GLN 370 Ca 0.11 -2.88 -0.08 0.00 0.07 0.00 0.00 57.00 54.22 2qqw n GLN 370 Cb 0.36 -1.53 -0.08 0.00 2.41 0.00 0.00 30.24 31.41 2qqw n GLN 370 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2qqw s ALA 371 N -0.00 -0.03 -0.12 1.69 0.00 -0.25 -0.04 121.76 123.02 2qqw s ALA 371 Ca 0.33 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.54 2qqw s ALA 371 Cb 0.07 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.67 2qqw s ALA 371 CO -0.16 -0.49 -0.23 0.34 0.00 0.00 0.00 175.76 175.22 2qqw s ASP 372 N -2.89 3.08 -0.00 0.00 2.15 -0.15 -0.19 116.67 118.67 2qqw s ASP 372 Ca 0.07 -0.58 0.01 0.00 0.43 0.00 0.00 52.55 52.48 2qqw s ASP 372 Cb 0.05 -1.42 -0.00 0.00 -0.30 0.00 0.00 42.92 41.26 2qqw s ASP 372 CO -0.10 0.12 -0.03 0.54 -0.17 0.00 0.00 175.17 175.53 2qqw s VAL 373 N 0.57 0.23 -0.06 1.11 0.11 -0.24 -0.72 120.40 121.40 2qqw s VAL 373 Ca -0.13 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 2qqw s VAL 373 Cb -0.17 -0.21 0.02 0.00 -1.53 0.00 0.00 36.38 34.49 2qqw s VAL 373 CO 0.04 0.07 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.23 2qqw s GLU 374 N -0.01 0.93 0.06 1.54 2.02 0.01 -0.58 118.70 122.68 2qqw s GLU 374 Ca 0.00 -0.10 0.09 0.00 0.02 0.00 0.00 54.97 54.98 2qqw s GLU 374 Cb -0.02 -1.01 -0.03 0.00 0.10 0.00 0.00 34.13 33.17 2qqw s GLU 374 CO -0.00 -0.15 -0.22 0.08 0.02 0.00 0.00 175.26 174.99 2qqw s VAL 375 N 1.24 2.53 -0.32 2.63 1.01 0.68 -1.13 120.40 127.04 2qqw s VAL 375 Ca -0.06 -1.37 0.02 0.00 0.00 0.00 0.00 61.98 60.57 2qqw s VAL 375 Cb -0.14 -2.07 0.08 0.00 0.00 0.00 0.00 36.38 34.26 2qqw s VAL 375 CO -0.02 0.28 0.01 -0.76 0.00 0.00 0.00 175.10 174.61 2qqw s LEU 376 N -1.56 4.25 0.38 3.92 1.43 0.89 -1.88 118.68 126.11 2qqw s LEU 376 Ca 0.14 -1.73 -0.12 0.00 -1.03 0.00 0.00 54.13 51.40 2qqw s LEU 376 Cb -0.10 -1.65 -0.07 0.00 0.03 0.00 0.00 46.19 44.40 2qqw s LEU 376 CO 0.05 -0.32 0.75 -0.36 0.23 0.00 0.00 176.35 176.70 2qqw s PHE 377 N 1.07 3.44 -0.04 0.29 0.08 0.10 -0.61 117.98 122.31 2qqw s PHE 377 Ca 0.01 1.08 0.00 0.00 0.12 0.00 0.00 56.93 58.14 2qqw s PHE 377 Cb -0.20 -2.46 0.03 0.00 -0.57 0.00 0.00 43.02 39.82 2qqw s PHE 377 CO -0.05 -0.04 -0.00 0.21 -0.10 0.00 0.00 175.22 175.24 2qqw s LYS 378 N -3.58 0.40 0.21 0.44 2.20 0.34 0.08 119.74 119.83 2qqw s LYS 378 Ca 0.52 0.06 -0.14 0.00 -0.36 0.00 0.00 55.97 56.04 2qqw s LYS 378 Cb -0.10 -0.58 -0.08 0.00 -1.51 0.00 0.00 37.83 35.56 2qqw s LYS 378 CO 0.27 -0.15 0.62 0.14 -0.36 0.00 0.00 175.35 175.88 2qqw s VAL 379 N 1.13 4.78 -0.11 4.02 -7.23 -1.26 -1.50 120.40 120.22 2qqw s VAL 379 Ca -0.08 0.86 -0.24 0.00 -1.81 0.00 0.00 61.98 60.71 2qqw s VAL 379 Cb -0.13 -3.71 -0.27 0.00 0.56 0.00 0.00 36.38 32.82 2qqw s VAL 379 CO -0.02 0.08 0.72 0.03 -0.31 0.00 0.00 175.10 175.60 2qqw h ARG 380 N 3.05 0.14 -2.11 4.82 3.08 -1.96 -3.46 114.38 117.93 2qqw h ARG 380 Ca -0.48 -0.24 -0.30 0.00 0.07 0.00 0.00 59.98 59.03 2qqw h ARG 380 Cb 1.18 0.09 -0.33 0.00 0.08 0.00 0.00 29.97 31.00 2qqw h ARG 380 CO 0.66 1.11 -0.62 0.34 -1.07 0.00 0.00 179.97 180.40 2qqw s ASP 381 N -6.67 1.44 0.59 7.04 2.15 -1.26 -5.03 116.67 114.93 2qqw s ASP 381 Ca -0.18 -0.62 0.35 0.00 0.43 0.00 0.00 52.55 52.52 2qqw s ASP 381 Cb 0.00 0.60 1.85 0.00 -0.30 0.00 0.00 42.92 45.07 2qqw s ASP 381 CO 0.74 -0.38 2.20 -0.07 -0.17 0.00 0.00 175.17 177.49 2qqw h LEU 382 N 8.25 0.00 0.00 -1.34 3.38 -1.95 -2.05 115.31 121.59 2qqw h LEU 382 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2qqw h LEU 382 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2qqw h LEU 382 CO 0.32 0.04 0.00 1.21 0.09 0.00 0.00 178.44 180.10 2qqw n GLU 383 N -3.38 0.02 0.00 1.13 2.13 -1.26 -1.87 120.64 117.41 2qqw n GLU 383 Ca -0.02 0.22 0.14 0.00 0.66 0.00 0.00 57.16 58.17 2qqw n GLU 383 Cb 0.16 -1.50 0.66 0.00 0.27 0.00 0.00 31.44 31.03 2qqw n GLU 383 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2qqw n LYS 384 N -1.48 0.96 -2.28 5.31 4.76 -0.77 -4.90 118.16 119.76 2qqw n LYS 384 Ca 0.04 -0.34 -0.41 0.00 -2.87 0.00 0.00 58.31 54.73 2qqw n LYS 384 Cb 0.18 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 2qqw n LYS 384 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qqw s ALA 385 N -2.28 3.49 0.40 7.82 0.00 -0.78 -4.32 121.76 126.10 2qqw s ALA 385 Ca 0.35 1.04 -0.26 0.00 0.00 0.00 0.00 51.96 53.09 2qqw s ALA 385 Cb 0.21 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 2qqw s ALA 385 CO 0.42 -0.49 1.31 -0.51 0.00 0.00 0.00 175.76 176.50 2qqw s ASP 386 N 0.42 6.31 0.10 0.00 1.01 -1.26 -4.51 116.67 118.73 2qqw s ASP 386 Ca 0.57 2.68 -0.30 0.00 0.71 0.00 0.00 52.55 56.20 2qqw s ASP 386 Cb -0.35 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 40.88 2qqw s ASP 386 CO 0.36 -0.86 1.18 -0.69 0.21 0.00 0.00 175.17 175.37 2qqw s VAL 387 N -1.25 3.96 0.30 -1.27 1.01 -1.26 -1.42 120.40 120.47 2qqw s VAL 387 Ca 0.57 1.48 -0.30 0.00 0.00 0.00 0.00 61.98 63.73 2qqw s VAL 387 Cb -0.39 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 31.94 2qqw s VAL 387 CO 0.50 0.16 1.58 -0.51 0.00 0.00 0.00 175.10 176.82 2qqw s ILE 388 N 0.68 2.08 0.36 2.22 2.07 -0.86 -4.86 121.20 122.89 2qqw s ILE 388 Ca 0.56 0.07 -0.29 0.00 -1.41 0.00 0.00 60.65 59.58 2qqw s ILE 388 Cb -0.30 -3.04 -0.11 0.00 0.13 0.00 0.00 42.46 39.14 2qqw s ILE 388 CO 0.31 0.01 1.52 -0.62 -1.91 0.00 0.00 174.94 174.25 2qqw n GLU 389 N 1.96 2.70 0.05 3.50 -0.58 -1.26 -4.80 120.64 122.22 2qqw n GLU 389 Ca 0.07 0.95 0.14 0.00 -0.42 0.00 0.00 57.16 57.90 2qqw n GLU 389 Cb 0.38 -2.70 0.61 0.00 -0.57 0.00 0.00 31.44 29.16 2qqw n GLU 389 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2qqw h PRO 390 N 3.43 0.14 0.00 3.49 0.13 -2.02 -1.74 132.00 135.43 2qqw h PRO 390 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2qqw h PRO 390 Cb 1.24 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2qqw h PRO 390 CO 0.68 0.09 -0.28 -1.13 -0.23 0.00 0.00 178.00 177.13 2qqw n SER 391 N -4.46 0.77 -4.56 1.44 3.41 -1.26 -4.76 113.62 104.21 2qqw n SER 391 Ca 0.06 0.37 -0.37 0.00 -0.26 0.00 0.00 58.87 58.67 2qqw n SER 391 Cb 0.36 -0.37 -0.04 0.00 -0.26 0.00 0.00 64.21 63.90 2qqw n SER 391 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2qqw s TRP 392 N -3.13 2.33 -0.01 7.33 0.51 -0.66 -4.67 118.94 120.64 2qqw s TRP 392 Ca 0.09 -0.42 0.01 0.00 -2.12 0.00 0.00 56.10 53.66 2qqw s TRP 392 Cb 0.13 -4.51 -0.02 0.00 -0.81 0.00 0.00 33.47 28.26 2qqw s TRP 392 CO 0.65 -1.88 0.03 0.25 -0.51 0.00 0.00 176.95 175.49 2qqw n THR 393 N 7.17 0.00 -3.30 2.01 -2.24 -1.26 -4.92 114.28 111.74 2qqw n THR 393 Ca 0.35 -0.08 -0.44 0.00 -2.27 0.00 0.00 64.05 61.61 2qqw n THR 393 Cb 0.50 0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 69.18 2qqw n THR 393 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qqw s ASP 394 N -2.04 6.18 0.41 3.42 -1.08 -1.26 -4.97 116.67 117.34 2qqw s ASP 394 Ca -0.00 -1.10 0.09 0.00 -0.52 0.00 0.00 52.55 51.02 2qqw s ASP 394 Cb 0.01 -2.23 0.91 0.00 -1.46 0.00 0.00 42.92 40.15 2qqw s ASP 394 CO 0.05 -0.73 2.02 1.55 0.52 0.00 0.00 175.17 178.59 2qqw h PRO 395 N 8.84 0.51 -0.54 4.34 0.13 -1.91 -2.12 132.00 141.24 2qqw h PRO 395 Ca -0.28 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.79 2qqw h PRO 395 Cb 1.10 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 2qqw h PRO 395 CO 0.90 0.34 0.20 0.37 -0.23 0.00 0.00 178.00 179.58 2qqw h GLN 396 N 0.53 0.82 -0.28 0.86 4.15 -1.91 -2.66 115.11 116.61 2qqw h GLN 396 Ca 0.21 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.39 2qqw h GLN 396 Cb 0.17 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 2qqw h GLN 396 CO -0.05 0.73 -0.15 -0.07 -1.93 0.00 0.00 178.83 177.36 2qqw h LEU 397 N 0.74 0.48 0.37 -2.39 3.38 -1.77 -1.52 115.31 114.60 2qqw h LEU 397 Ca 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2qqw h LEU 397 Cb 0.23 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2qqw h LEU 397 CO -0.01 0.65 -0.18 0.40 0.09 0.00 0.00 178.44 179.40 2qqw h ILE 398 N 0.45 0.64 -0.94 1.22 2.04 -1.30 -1.59 117.51 118.04 2qqw h ILE 398 Ca 0.08 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.86 2qqw h ILE 398 Cb 0.53 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 2qqw h ILE 398 CO 0.03 0.03 0.61 0.00 0.00 0.00 0.00 178.15 178.82 2qqw h SER 400 N 1.07 0.32 0.20 0.00 0.02 -1.05 -3.26 113.55 110.84 2qqw h SER 400 Ca 0.41 0.02 -0.31 0.00 -0.84 0.00 0.00 61.79 61.06 2qqw h SER 400 Cb 0.21 -0.04 0.03 0.00 0.14 0.00 0.00 62.40 62.74 2qqw h SER 400 CO -0.16 0.23 -1.33 0.50 -1.14 0.00 0.00 176.83 174.93 2qqw h LYS 401 N 0.43 0.58 -3.65 3.45 3.11 -1.00 -3.40 116.57 116.09 2qqw h LYS 401 Ca 0.17 -0.85 -0.77 0.00 -2.81 0.00 0.00 60.65 56.39 2qqw h LYS 401 Cb 0.07 0.29 -0.29 0.00 -1.00 0.00 0.00 32.23 31.30 2qqw h LYS 401 CO -0.11 1.39 0.11 -1.64 -2.81 0.00 0.00 179.45 176.40 2qqw s MET 402 N -2.84 3.60 1.34 1.90 -1.94 -0.73 -5.03 119.30 115.59 2qqw s MET 402 Ca -0.09 -2.80 -0.21 0.00 -1.71 0.00 0.00 55.69 50.88 2qqw s MET 402 Cb 0.05 -4.31 0.34 0.00 2.01 0.00 0.00 34.83 32.92 2qqw s MET 402 CO 0.94 -1.26 0.98 0.54 -0.01 0.00 0.00 175.02 176.21 2qqw s ASN 403 N 1.41 -0.33 0.66 3.03 2.20 -1.25 -4.74 114.94 115.91 2qqw s ASN 403 Ca 0.23 0.89 0.42 0.00 -0.94 0.00 0.00 52.86 53.46 2qqw s ASN 403 Cb -0.11 -1.28 2.32 0.00 -2.00 0.00 0.00 41.25 40.18 2qqw s ASN 403 CO -0.08 -4.92 2.35 -0.37 -2.94 0.00 0.00 177.10 171.13 2qqw h VAL 404 N -3.12 0.10 0.00 3.54 -1.51 -1.97 -0.53 116.25 112.75 2qqw h VAL 404 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2qqw h VAL 404 Cb 1.33 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 2qqw h VAL 404 CO 0.33 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 176.43 2qqw n SER 405 N -3.22 0.72 -4.56 4.19 2.88 -1.26 -4.64 113.62 107.73 2qqw n SER 405 Ca -0.03 0.62 -0.42 0.00 -1.33 0.00 0.00 58.87 57.71 2qqw n SER 405 Cb 0.08 -0.79 -0.07 0.00 -0.75 0.00 0.00 64.21 62.68 2qqw n SER 405 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2qqw s VAL 406 N -3.20 4.92 0.22 2.46 1.01 -0.21 -5.05 120.40 120.54 2qqw s VAL 406 Ca 0.07 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 2qqw s VAL 406 Cb 0.11 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 2qqw s VAL 406 CO 0.49 -0.33 1.14 -0.54 0.00 0.00 0.00 175.10 175.86 2qqw s LYS 407 N 2.63 4.56 0.28 2.72 1.02 -1.26 -4.59 119.74 125.10 2qqw s LYS 407 Ca 0.22 1.82 0.10 0.00 0.02 0.00 0.00 55.97 58.14 2qqw s LYS 407 Cb -0.15 -3.23 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 2qqw s LYS 407 CO 0.15 0.05 -0.06 -1.12 -0.92 0.00 0.00 175.35 173.45 2qqw s SER 408 N -0.29 4.19 0.15 2.83 0.01 -0.06 -4.96 113.70 115.57 2qqw s SER 408 Ca 0.49 -0.82 -0.28 0.00 1.31 0.00 0.00 55.95 56.65 2qqw s SER 408 Cb -0.32 -0.62 -0.02 0.00 0.21 0.00 0.00 66.02 65.27 2qqw s SER 408 CO 0.38 -0.03 1.57 1.23 0.41 0.00 0.00 173.24 176.80 2qqw h GLY 409 N 1.99 -0.63 -7.58 3.44 0.00 -1.90 -1.70 103.07 96.69 2qqw h GLY 409 Ca -0.43 0.59 -0.68 0.00 0.00 0.00 0.00 47.33 46.82 2qqw h GLY 409 CO 0.61 -0.16 -0.62 1.08 0.00 0.00 0.00 176.54 177.44 2qqw s LEU 410 N -10.49 4.98 0.00 3.11 1.02 -1.26 -2.88 118.68 113.16 2qqw s LEU 410 Ca -0.14 -2.18 0.00 0.00 0.02 0.00 0.00 54.13 51.82 2qqw s LEU 410 Cb 0.11 -1.73 0.00 0.00 0.02 0.00 0.00 46.19 44.60 2qqw s LEU 410 CO 0.65 -0.44 0.00 0.61 0.02 0.00 0.00 176.35 177.18 2qqw n GLY 411 N 4.31 2.33 3.76 -3.19 0.00 -1.25 -1.07 105.19 110.08 2qqw n GLY 411 Ca 0.02 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 2qqw n GLY 411 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qqw s PRO 412 N -2.32 4.57 -0.00 1.61 0.04 -1.26 -0.88 135.00 136.76 2qqw s PRO 412 Ca 0.00 1.87 -0.00 0.00 0.04 0.00 0.00 61.00 62.91 2qqw s PRO 412 Cb 0.00 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2qqw s PRO 412 CO 0.00 0.13 0.01 -0.59 0.04 0.00 0.00 177.00 176.59 2qqw s PHE 413 N -1.17 -0.01 0.00 0.56 -0.12 -0.95 -0.85 117.98 115.44 2qqw s PHE 413 Ca 0.46 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 57.35 2qqw s PHE 413 Cb -0.33 0.00 0.00 0.00 -0.63 0.00 0.00 43.02 42.06 2qqw s PHE 413 CO 0.43 -0.01 0.00 0.41 -0.05 0.00 0.00 175.22 176.00 2qqw n GLY 414 N 3.05 -0.52 3.01 1.99 0.00 -1.06 -0.88 105.19 110.80 2qqw n GLY 414 Ca -0.12 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2qqw n GLY 414 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qqw s LEU 415 N 0.00 1.63 -0.21 0.99 1.43 -0.01 -1.46 118.68 121.05 2qqw s LEU 415 Ca 0.00 -0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 52.58 2qqw s LEU 415 Cb 0.00 -0.76 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 2qqw s LEU 415 CO 0.00 0.03 0.82 -0.04 0.23 0.00 0.00 176.35 177.39 2qqw s MET 416 N 0.61 4.23 0.35 1.70 -1.94 -0.74 -0.79 119.30 122.72 2qqw s MET 416 Ca -0.13 0.96 0.09 0.00 -1.71 0.00 0.00 55.69 54.90 2qqw s MET 416 Cb -0.15 -3.62 -0.06 0.00 2.01 0.00 0.00 34.83 33.01 2qqw s MET 416 CO 0.03 -0.43 -0.07 0.14 -0.01 0.00 0.00 175.02 174.68 2qqw s VAL 417 N 2.54 2.31 -1.31 -6.03 -7.23 0.73 -0.61 120.40 110.79 2qqw s VAL 417 Ca 0.36 -2.15 -0.19 0.00 -1.81 0.00 0.00 61.98 58.19 2qqw s VAL 417 Cb -0.16 -2.69 0.03 0.00 0.56 0.00 0.00 36.38 34.12 2qqw s VAL 417 CO 0.09 -0.19 0.36 0.18 -0.31 0.00 0.00 175.10 175.23 2qqw n LEU 418 N -0.84 -0.46 -4.69 1.32 4.77 -1.23 -1.22 117.00 114.66 2qqw n LEU 418 Ca -0.05 -1.25 -0.32 0.00 -0.03 0.00 0.00 56.01 54.37 2qqw n LEU 418 Cb 0.63 -1.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.12 2qqw n LEU 418 CO 0.44 0.64 -0.32 0.00 -1.33 0.00 0.00 177.39 176.82 2qqw s ALA 419 N -3.92 3.30 0.45 -1.18 0.00 -1.05 -4.16 121.76 115.19 2qqw s ALA 419 Ca 0.26 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 51.07 2qqw s ALA 419 Cb -0.15 -1.31 -0.08 0.00 0.00 0.00 0.00 23.12 21.58 2qqw s ALA 419 CO 0.95 0.67 0.89 -1.54 0.00 0.00 0.00 175.76 176.73 2qqw s SER 420 N -1.79 6.65 0.24 0.00 1.04 0.13 -0.01 113.70 119.97 2qqw s SER 420 Ca 0.22 1.44 -0.13 0.00 0.48 0.00 0.00 55.95 57.95 2qqw s SER 420 Cb -0.12 -2.45 0.31 0.00 0.10 0.00 0.00 66.02 63.86 2qqw s SER 420 CO 0.13 -0.46 1.47 0.29 0.98 0.00 0.00 173.24 175.65 2qqw n LYS 421 N -1.24 -0.17 -0.87 4.02 4.76 -1.26 -0.13 118.16 123.27 2qqw n LYS 421 Ca 0.05 1.46 -0.00 0.00 -2.87 0.00 0.00 58.31 56.95 2qqw n LYS 421 Cb 0.54 -2.18 0.31 0.00 -1.84 0.00 0.00 35.03 31.86 2qqw n LYS 421 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2qqw n ASN 422 N -5.45 4.63 -2.69 4.39 3.02 -1.26 -4.95 115.26 112.96 2qqw n ASN 422 Ca 0.12 -3.18 -0.21 0.00 -0.03 0.00 0.00 54.58 51.28 2qqw n ASN 422 Cb 0.42 -0.69 0.01 0.00 -0.61 0.00 0.00 39.78 38.91 2qqw n ASN 422 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qqw n LEU 423 N -0.16 -2.15 -0.15 3.41 4.32 0.81 -4.87 117.00 118.21 2qqw n LEU 423 Ca 0.34 -0.12 -0.11 0.00 -0.02 0.00 0.00 56.01 56.10 2qqw n LEU 423 Cb 1.23 -2.86 -0.01 0.00 -1.62 0.00 0.00 43.42 40.16 2qqw n LEU 423 CO 0.34 -0.02 0.69 -0.33 -1.22 0.00 0.00 177.39 176.85 2qqw h GLU 424 N -0.58 0.90 -5.85 3.23 3.07 -1.93 -3.43 114.58 109.99 2qqw h GLU 424 Ca -0.49 -0.37 -0.68 0.00 -0.50 0.00 0.00 59.36 57.32 2qqw h GLU 424 Cb 1.35 -0.04 -0.29 0.00 -0.84 0.00 0.00 28.75 28.93 2qqw h GLU 424 CO 0.56 1.01 -0.83 -1.21 -1.40 0.00 0.00 179.01 177.14 2qqw s GLU 425 N -4.72 2.79 -0.08 2.33 2.02 -1.26 -4.88 118.70 114.90 2qqw s GLU 425 Ca -0.12 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 53.76 2qqw s GLU 425 Cb 0.11 -2.33 0.09 0.00 0.10 0.00 0.00 34.13 32.10 2qqw s GLU 425 CO 0.85 0.37 0.80 1.52 0.02 0.00 0.00 175.26 178.82 2qqw s TYR 426 N -0.11 -0.53 -0.20 1.61 -0.85 -0.23 0.20 117.35 117.23 2qqw s TYR 426 Ca -0.04 0.87 -0.03 0.00 -0.52 0.00 0.00 57.07 57.35 2qqw s TYR 426 Cb -0.14 0.44 -0.01 0.00 0.38 0.00 0.00 41.96 42.63 2qqw s TYR 426 CO 0.04 -0.52 -0.06 0.99 -1.52 0.00 0.00 175.55 174.47 2qqw s THR 427 N -1.38 3.28 -0.23 -3.49 2.01 -0.35 -2.59 115.64 112.88 2qqw s THR 427 Ca -0.06 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.29 2qqw s THR 427 Cb -0.00 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.99 2qqw s THR 427 CO 0.05 0.45 0.20 -0.44 -0.69 0.00 0.00 174.62 174.19 2qqw s SER 428 N 1.24 6.18 -0.30 3.53 0.01 -0.51 -0.20 113.70 123.66 2qqw s SER 428 Ca 0.03 0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.50 2qqw s SER 428 Cb -0.14 -2.13 0.07 0.00 0.21 0.00 0.00 66.02 64.03 2qqw s SER 428 CO -0.02 0.05 -0.02 -0.69 0.41 0.00 0.00 173.24 172.96 2qqw s VAL 429 N 1.05 2.41 0.23 3.43 1.01 0.03 -0.18 120.40 128.39 2qqw s VAL 429 Ca 0.09 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.24 2qqw s VAL 429 Cb -0.14 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2qqw s VAL 429 CO 0.05 -0.26 0.18 -0.72 0.00 0.00 0.00 175.10 174.35 2qqw s TYR 430 N 1.07 1.25 0.16 5.22 -0.85 -0.83 -0.83 117.35 122.55 2qqw s TYR 430 Ca -0.01 -1.42 0.09 0.00 -0.52 0.00 0.00 57.07 55.22 2qqw s TYR 430 Cb -0.20 -0.56 -0.04 0.00 0.38 0.00 0.00 41.96 41.54 2qqw s TYR 430 CO -0.05 -0.71 -0.15 -0.06 -1.52 0.00 0.00 175.55 173.06 2qqw s PHE 431 N -3.99 2.54 0.06 -3.49 0.08 -0.06 -1.35 117.98 111.77 2qqw s PHE 431 Ca 0.39 -0.26 0.06 0.00 0.12 0.00 0.00 56.93 57.23 2qqw s PHE 431 Cb 0.06 -1.27 -0.03 0.00 -0.57 0.00 0.00 43.02 41.21 2qqw s PHE 431 CO 0.15 0.47 -0.15 1.03 -0.10 0.00 0.00 175.22 176.62 2qqw s ARG 432 N -2.60 0.92 -0.08 0.44 0.52 -0.49 -2.25 118.95 115.41 2qqw s ARG 432 Ca 0.22 -0.92 0.03 0.00 -0.52 0.00 0.00 55.73 54.53 2qqw s ARG 432 Cb -0.09 -0.97 -0.02 0.00 0.52 0.00 0.00 34.95 34.39 2qqw s ARG 432 CO 0.13 0.23 -0.16 0.42 0.02 0.00 0.00 175.30 175.93 2qqw s ILE 433 N -1.11 2.85 0.25 1.52 -1.09 -0.23 -0.82 121.20 122.57 2qqw s ILE 433 Ca 0.01 -0.77 0.09 0.00 -2.23 0.00 0.00 60.65 57.74 2qqw s ILE 433 Cb -0.09 -2.13 -0.05 0.00 -1.58 0.00 0.00 42.46 38.60 2qqw s ILE 433 CO 0.02 0.56 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.80 2qqw s PHE 434 N -0.18 1.97 -0.09 3.97 0.08 0.06 -4.18 117.98 119.61 2qqw s PHE 434 Ca -0.01 -0.53 -0.16 0.00 0.12 0.00 0.00 56.93 56.36 2qqw s PHE 434 Cb -0.13 -0.96 -0.05 0.00 -0.57 0.00 0.00 43.02 41.31 2qqw s PHE 434 CO 0.03 0.46 0.40 0.21 -0.10 0.00 0.00 175.22 176.22 2qqw s LYS 435 N -3.62 4.17 0.52 0.44 2.20 -0.51 -1.29 119.74 121.64 2qqw s LYS 435 Ca 0.27 0.33 -0.19 0.00 -0.36 0.00 0.00 55.97 56.02 2qqw s LYS 435 Cb -0.01 -3.36 -0.07 0.00 -1.51 0.00 0.00 37.83 32.89 2qqw s LYS 435 CO 0.11 0.36 1.07 0.00 -0.36 0.00 0.00 175.35 176.53 2qqw s ALA 436 N 0.00 2.79 0.00 3.13 0.00 -0.73 -2.03 121.76 124.93 2qqw s ALA 436 Ca 0.22 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2qqw s ALA 436 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2qqw s ALA 436 CO 0.09 -0.54 1.32 0.54 0.00 0.00 0.00 175.76 177.17 2qqw n ARG 437 N -1.29 0.83 -4.25 0.00 5.12 -1.26 -4.86 116.66 110.95 2qqw n ARG 437 Ca 0.10 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.88 2qqw n ARG 437 Cb 0.52 -1.09 -0.10 0.00 -1.16 0.00 0.00 32.46 30.63 2qqw n ARG 437 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2qqw s GLN 438 N 0.28 1.27 0.40 5.56 -2.07 -1.26 -5.07 119.66 118.76 2qqw s GLN 438 Ca 0.00 -1.67 0.08 0.00 -1.82 0.00 0.00 55.36 51.95 2qqw s GLN 438 Cb 0.00 0.01 0.81 0.00 -1.09 0.00 0.00 33.01 32.74 2qqw s GLN 438 CO 0.00 -0.33 1.98 -0.91 -1.32 0.00 0.00 175.29 174.71 2qqw h ASN 439 N 2.54 0.34 -3.85 12.60 2.35 -2.01 -3.43 115.58 124.12 2qqw h ASN 439 Ca -0.37 -0.04 -0.46 0.00 -0.55 0.00 0.00 56.30 54.88 2qqw h ASN 439 Cb 1.24 -0.09 0.17 0.00 0.05 0.00 0.00 38.32 39.69 2qqw h ASN 439 CO 0.57 0.37 0.18 -0.94 -1.65 0.00 0.00 177.43 175.97 2qqw s SER 440 N -6.80 2.62 -0.37 5.81 1.04 -1.26 -4.94 113.70 109.79 2qqw s SER 440 Ca -0.07 1.40 -0.01 0.00 0.48 0.00 0.00 55.95 57.74 2qqw s SER 440 Cb 0.16 -2.08 0.22 0.00 0.10 0.00 0.00 66.02 64.42 2qqw s SER 440 CO 0.73 -3.16 2.11 -0.46 0.98 0.00 0.00 173.24 173.44 2qqw n ASN 441 N -4.22 6.59 -4.77 7.02 6.94 -1.26 -4.93 115.26 120.63 2qqw n ASN 441 Ca 0.06 -3.15 -0.36 0.00 -0.02 0.00 0.00 54.58 51.11 2qqw n ASN 441 Cb 0.56 -1.07 -0.00 0.00 -2.36 0.00 0.00 39.78 36.90 2qqw n ASN 441 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2qqw s LYS 442 N -1.99 3.51 0.29 -3.83 2.47 -1.26 -4.95 119.74 113.98 2qqw s LYS 442 Ca 0.37 1.68 0.10 0.00 -1.56 0.00 0.00 55.97 56.56 2qqw s LYS 442 Cb 0.28 -2.16 -0.05 0.00 -1.46 0.00 0.00 37.83 34.44 2qqw s LYS 442 CO -0.03 -0.74 -0.09 0.71 0.16 0.00 0.00 175.35 175.37 2qqw s TYR 443 N -1.68 2.49 -0.17 4.03 2.02 -1.26 -1.78 117.35 120.99 2qqw s TYR 443 Ca 0.69 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 57.09 2qqw s TYR 443 Cb -0.26 -1.16 0.03 0.00 -0.40 0.00 0.00 41.96 40.17 2qqw s TYR 443 CO 0.30 0.64 -0.16 0.08 -1.57 0.00 0.00 175.55 174.84 2qqw s VAL 444 N -2.44 1.83 -0.25 0.71 1.01 -0.41 -4.79 120.40 116.05 2qqw s VAL 444 Ca 0.31 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 2qqw s VAL 444 Cb -0.04 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2qqw s VAL 444 CO 0.18 0.44 0.16 -0.69 0.00 0.00 0.00 175.10 175.18 2qqw s VAL 445 N 1.37 5.24 -0.15 2.92 1.01 -1.26 -0.76 120.40 128.76 2qqw s VAL 445 Ca 0.03 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 2qqw s VAL 445 Cb -0.14 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2qqw s VAL 445 CO -0.11 0.31 0.05 -0.22 0.00 0.00 0.00 175.10 175.13 2qqw s LEU 446 N 1.33 3.80 -0.12 3.92 2.96 0.00 -1.61 118.68 128.96 2qqw s LEU 446 Ca 0.07 0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 2qqw s LEU 446 Cb -0.15 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.62 2qqw s LEU 446 CO 0.07 0.24 -0.22 -0.32 -1.32 0.00 0.00 176.35 174.80 2qqw s MET 447 N -0.03 2.89 0.08 1.98 -2.45 -0.21 -1.40 119.30 120.16 2qqw s MET 447 Ca 0.06 -0.81 0.09 0.00 -1.25 0.00 0.00 55.69 53.77 2qqw s MET 447 Cb -0.12 -2.28 -0.03 0.00 1.25 0.00 0.00 34.83 33.65 2qqw s MET 447 CO 0.01 0.06 -0.23 0.00 1.05 0.00 0.00 175.02 175.91 2qqw s SER 449 N -1.55 4.66 -0.32 0.00 0.15 0.49 -1.97 113.70 115.16 2qqw s SER 449 Ca 0.09 -1.75 -0.12 0.00 0.70 0.00 0.00 55.95 54.87 2qqw s SER 449 Cb -0.10 -1.61 -0.02 0.00 -1.71 0.00 0.00 66.02 62.58 2qqw s SER 449 CO 0.03 -0.30 0.20 -0.62 1.20 0.00 0.00 173.24 173.76 2qqw s ASP 450 N 1.06 5.89 -0.18 5.45 3.68 0.75 -1.42 116.67 131.91 2qqw s ASP 450 Ca 0.01 -0.37 0.14 0.00 2.13 0.00 0.00 52.55 54.46 2qqw s ASP 450 Cb -0.20 -2.09 0.38 0.00 -1.45 0.00 0.00 42.92 39.56 2qqw s ASP 450 CO -0.06 -0.18 1.19 0.00 0.13 0.00 0.00 175.17 176.25 2qqw n GLN 451 N 5.06 1.42 0.02 4.34 0.00 -1.26 -1.42 117.38 125.53 2qqw n GLN 451 Ca -0.13 -3.01 -0.03 0.00 0.00 0.00 0.00 57.00 53.83 2qqw n GLN 451 Cb 0.50 -1.51 0.22 0.00 0.00 0.00 0.00 30.24 29.45 2qqw n GLN 451 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2qqw h SER 452 N 0.69 0.46 -0.22 2.61 4.64 -1.88 -3.17 113.55 116.69 2qqw h SER 452 Ca -0.01 -0.15 -0.05 0.00 -0.47 0.00 0.00 61.79 61.11 2qqw h SER 452 Cb 1.04 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.98 2qqw h SER 452 CO 0.00 0.70 -0.04 0.54 -0.87 0.00 0.00 176.83 177.17 2qqw n ARG 453 N -4.13 2.24 0.21 4.77 1.74 -1.26 -4.69 116.66 115.54 2qqw n ARG 453 Ca -0.00 -2.90 0.10 0.00 -0.77 0.00 0.00 57.85 54.28 2qqw n ARG 453 Cb 0.39 -1.76 0.30 0.00 -1.02 0.00 0.00 32.46 30.38 2qqw n ARG 453 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2qqw h SER 454 N 1.18 0.00 -3.66 0.55 4.64 -1.47 -0.58 113.55 114.20 2qqw h SER 454 Ca 0.06 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 2qqw h SER 454 Cb 1.39 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.23 2qqw h SER 454 CO 0.21 0.19 -0.25 -0.55 -0.87 0.00 0.00 176.83 175.56 2qqw s SER 455 N -6.18 -0.46 0.47 4.97 0.15 -1.26 -4.14 113.70 107.24 2qqw s SER 455 Ca 0.03 0.86 0.24 0.00 0.70 0.00 0.00 55.95 57.78 2qqw s SER 455 Cb 0.08 0.83 1.17 0.00 -1.71 0.00 0.00 66.02 66.39 2qqw s SER 455 CO 0.66 -0.16 1.96 -0.07 1.20 0.00 0.00 173.24 176.83 2qqw h LEU 456 N 6.03 0.00 -9.19 3.45 3.38 -1.87 -3.42 115.31 113.70 2qqw h LEU 456 Ca -0.30 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.10 2qqw h LEU 456 Cb 1.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2qqw h LEU 456 CO 0.26 0.20 0.88 -0.75 0.09 0.00 0.00 178.44 179.12 2qqw s LYS 457 N -4.05 4.25 0.29 1.13 2.20 -1.26 -4.94 119.74 117.36 2qqw s LYS 457 Ca -0.02 1.71 0.12 0.00 -0.36 0.00 0.00 55.97 57.42 2qqw s LYS 457 Cb 0.13 -3.74 0.39 0.00 -1.51 0.00 0.00 37.83 33.10 2qqw s LYS 457 CO 0.63 -0.67 1.62 0.93 -0.36 0.00 0.00 175.35 177.49 2qqw h GLU 458 N 8.17 0.00 -1.18 4.03 5.08 -2.01 -3.29 114.58 125.39 2qqw h GLU 458 Ca -0.29 0.00 0.33 0.00 -1.00 0.00 0.00 59.36 58.41 2qqw h GLU 458 Cb 1.12 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.29 2qqw h GLU 458 CO 0.95 0.58 0.80 -0.44 -1.00 0.00 0.00 179.01 179.90 2qqw h ASP 459 N 0.00 0.22 -4.13 1.42 3.32 -1.96 -3.44 116.42 111.85 2qqw h ASP 459 Ca -0.01 0.06 -0.53 0.00 0.02 0.00 0.00 57.03 56.57 2qqw h ASP 459 Cb 1.09 0.02 0.13 0.00 0.22 0.00 0.00 39.33 40.80 2qqw h ASP 459 CO 0.08 0.01 0.45 0.20 -1.72 0.00 0.00 179.24 178.25 2qqw s ASN 460 N -5.05 4.87 -0.50 6.45 0.01 -1.24 -4.32 114.94 115.15 2qqw s ASN 460 Ca -0.07 2.37 -0.28 0.00 -0.71 0.00 0.00 52.86 54.17 2qqw s ASN 460 Cb 0.25 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 39.31 2qqw s ASN 460 CO 0.81 -1.81 1.64 -0.62 -1.51 0.00 0.00 177.10 175.61 2qqw s ASP 461 N -1.78 5.84 -0.18 -1.22 -1.08 0.23 -4.89 116.67 113.59 2qqw s ASP 461 Ca 0.76 0.61 0.14 0.00 -0.52 0.00 0.00 52.55 53.54 2qqw s ASP 461 Cb -0.30 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 39.35 2qqw s ASP 461 CO 0.38 -1.87 1.62 0.29 0.52 0.00 0.00 175.17 176.10 2qqw n LYS 462 N 8.69 4.26 -1.65 4.34 5.02 -1.26 -4.92 118.16 132.65 2qqw n LYS 462 Ca 0.18 -2.81 -0.47 0.00 -2.02 0.00 0.00 58.31 53.19 2qqw n LYS 462 Cb 0.49 -2.10 -0.04 0.00 -0.02 0.00 0.00 35.03 33.36 2qqw n LYS 462 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2qqw n THR 463 N 0.71 0.22 -3.29 -0.18 -1.04 -1.26 -3.75 114.28 105.68 2qqw n THR 463 Ca 0.25 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.05 61.83 2qqw n THR 463 Cb 1.03 -1.32 -0.06 0.00 -1.82 0.00 0.00 70.33 68.17 2qqw n THR 463 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2qqw s THR 464 N 0.57 4.77 0.11 12.58 2.01 -1.26 -4.57 115.64 129.85 2qqw s THR 464 Ca 0.78 1.12 0.07 0.00 0.31 0.00 0.00 61.69 63.97 2qqw s THR 464 Cb -0.75 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 2qqw s THR 464 CO 0.43 0.47 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.46 2qqw s TYR 465 N -1.21 2.81 -0.02 4.92 2.02 -0.51 -4.87 117.35 120.51 2qqw s TYR 465 Ca 0.31 -0.12 -0.09 0.00 -0.37 0.00 0.00 57.07 56.81 2qqw s TYR 465 Cb -0.18 -1.45 0.01 0.00 -0.40 0.00 0.00 41.96 39.94 2qqw s TYR 465 CO 0.19 0.46 0.18 0.20 -1.57 0.00 0.00 175.55 175.01 2qqw s GLY 466 N -2.36 -0.03 -0.00 0.71 0.00 -1.26 -0.38 107.32 104.00 2qqw s GLY 466 Ca 0.23 0.08 -0.13 0.00 0.00 0.00 0.00 44.72 44.90 2qqw s GLY 466 CO 0.16 -0.06 0.27 0.00 0.00 0.00 0.00 173.10 173.47 2qqw s ALA 467 N -1.09 -0.68 0.23 3.20 0.00 -0.15 -4.11 121.76 119.17 2qqw s ALA 467 Ca -0.12 0.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 2qqw s ALA 467 Cb -0.06 0.12 -0.08 0.00 0.00 0.00 0.00 23.12 23.10 2qqw s ALA 467 CO 0.02 -0.27 0.61 -0.06 0.00 0.00 0.00 175.76 176.06 2qqw s PHE 468 N -1.52 3.47 -0.13 0.00 2.99 -1.26 -1.04 117.98 120.49 2qqw s PHE 468 Ca -0.13 1.04 0.02 0.00 0.00 0.00 0.00 56.93 57.87 2qqw s PHE 468 Cb -0.05 -2.38 0.01 0.00 0.00 0.00 0.00 43.02 40.60 2qqw s PHE 468 CO 0.03 0.27 -0.20 0.08 -0.00 0.00 0.00 175.22 175.39 2qqw s VAL 469 N -1.76 1.89 -1.29 -0.44 1.01 -0.64 -4.80 120.40 114.38 2qqw s VAL 469 Ca 0.47 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 2qqw s VAL 469 Cb -0.12 -1.68 0.14 0.00 0.00 0.00 0.00 36.38 34.71 2qqw s VAL 469 CO 0.20 0.52 1.76 -0.67 0.00 0.00 0.00 175.10 176.90 2qqw n ASP 470 N 4.10 4.94 -4.17 3.32 2.03 -1.26 -4.18 116.55 121.33 2qqw n ASP 470 Ca -0.20 -3.00 -0.12 0.00 0.52 0.00 0.00 54.79 51.99 2qqw n ASP 470 Cb 0.51 -1.57 -0.10 0.00 -0.72 0.00 0.00 41.12 39.24 2qqw n ASP 470 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2qqw s ILE 471 N 1.68 0.76 -0.37 5.18 -4.36 -1.26 -5.07 121.20 117.77 2qqw s ILE 471 Ca 0.44 -1.85 -0.19 0.00 -0.26 0.00 0.00 60.65 58.78 2qqw s ILE 471 Cb 0.05 -1.58 0.00 0.00 1.25 0.00 0.00 42.46 42.18 2qqw s ILE 471 CO 0.00 -0.79 0.56 0.21 0.24 0.00 0.00 174.94 175.16 2qqw s ASN 472 N -2.88 6.33 0.00 4.36 3.84 -1.26 -4.78 114.94 120.55 2qqw s ASN 472 Ca 0.10 -0.10 0.19 0.00 0.21 0.00 0.00 52.86 53.26 2qqw s ASN 472 Cb 0.03 -2.29 1.14 0.00 -0.55 0.00 0.00 41.25 39.58 2qqw s ASN 472 CO -0.03 -0.57 1.56 -0.81 -2.79 0.00 0.00 177.10 174.46 2qqw n PRO 473 N 5.89 0.70 -0.19 0.43 -0.04 -1.26 -1.44 135.00 139.08 2qqw n PRO 473 Ca -0.04 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.35 2qqw n PRO 473 Cb 0.48 -1.43 0.02 0.00 -0.04 0.00 0.00 33.50 32.54 2qqw n PRO 473 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2qqw h HIS 474 N 0.00 0.83 -4.19 0.54 3.86 -1.96 -3.43 115.15 110.81 2qqw h HIS 474 Ca 0.00 -0.06 -0.49 0.00 -1.16 0.00 0.00 60.37 58.66 2qqw h HIS 474 Cb 0.00 -0.25 0.13 0.00 1.06 0.00 0.00 27.41 28.35 2qqw h HIS 474 CO 0.00 0.68 0.29 -0.65 0.86 0.00 0.00 177.93 179.11 2qqw s GLN 475 N -5.55 1.74 0.34 2.45 1.11 -0.52 -4.93 119.66 114.29 2qqw s GLN 475 Ca -0.13 0.83 -0.27 0.00 0.01 0.00 0.00 55.36 55.80 2qqw s GLN 475 Cb 0.12 -1.86 -0.09 0.00 -1.01 0.00 0.00 33.01 30.17 2qqw s GLN 475 CO 0.78 -1.91 1.12 -2.14 0.01 0.00 0.00 175.29 173.15 2qqw s PRO 476 N -5.00 4.35 -0.18 2.91 0.02 -1.26 -4.81 135.00 131.03 2qqw s PRO 476 Ca 0.62 1.78 -0.24 0.00 0.02 0.00 0.00 61.00 63.18 2qqw s PRO 476 Cb -0.17 -2.89 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 2qqw s PRO 476 CO 0.56 -0.04 0.77 -0.51 -0.33 0.00 0.00 177.00 177.44 2qqw s LEU 477 N -2.03 4.17 -0.17 -5.54 1.02 0.11 -4.87 118.68 111.37 2qqw s LEU 477 Ca 0.51 1.06 -0.10 0.00 0.02 0.00 0.00 54.13 55.62 2qqw s LEU 477 Cb -0.30 -3.12 -0.05 0.00 0.02 0.00 0.00 46.19 42.74 2qqw s LEU 477 CO 0.38 -0.36 0.17 -0.55 0.02 0.00 0.00 176.35 176.02 2qqw s SER 478 N 1.17 6.30 -0.03 2.29 0.15 -1.26 -0.72 113.70 121.60 2qqw s SER 478 Ca 0.35 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2qqw s SER 478 Cb -0.16 -2.11 0.03 0.00 -1.71 0.00 0.00 66.02 62.07 2qqw s SER 478 CO 0.12 0.21 0.01 -0.22 1.20 0.00 0.00 173.24 174.56 2qqw s LEU 479 N 0.08 1.07 0.12 3.45 2.96 -0.79 -1.28 118.68 124.29 2qqw s LEU 479 Ca 0.11 -0.02 0.10 0.00 -0.22 0.00 0.00 54.13 54.11 2qqw s LEU 479 Cb -0.12 -0.21 -0.04 0.00 0.50 0.00 0.00 46.19 46.32 2qqw s LEU 479 CO 0.01 -0.12 -0.26 -0.60 -1.32 0.00 0.00 176.35 174.06 2qqw s ARG 480 N 1.14 1.39 -0.09 1.98 3.52 0.87 -0.23 118.95 127.52 2qqw s ARG 480 Ca -0.08 -1.30 -0.04 0.00 -0.13 0.00 0.00 55.73 54.18 2qqw s ARG 480 Cb -0.13 -1.83 0.05 0.00 -1.56 0.00 0.00 34.95 31.48 2qqw s ARG 480 CO -0.02 0.44 0.19 0.00 -0.81 0.00 0.00 175.30 175.10 2qqw s ALA 481 N -1.05 -0.33 -0.27 6.12 0.00 0.26 -0.32 121.76 126.16 2qqw s ALA 481 Ca 0.13 0.74 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 2qqw s ALA 481 Cb -0.10 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 2qqw s ALA 481 CO 0.05 -0.46 0.37 -0.51 0.00 0.00 0.00 175.76 175.22 2qqw s LEU 482 N 1.97 4.05 -0.21 0.00 1.43 -0.55 -1.08 118.68 124.29 2qqw s LEU 482 Ca -0.01 0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.33 2qqw s LEU 482 Cb -0.12 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 2qqw s LEU 482 CO -0.07 -0.19 -0.04 -0.63 0.23 0.00 0.00 176.35 175.65 2qqw s ILE 483 N 2.07 3.50 -0.42 -0.59 1.01 0.73 -1.44 121.20 126.06 2qqw s ILE 483 Ca 0.15 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.41 2qqw s ILE 483 Cb -0.16 -2.58 0.25 0.00 0.01 0.00 0.00 42.46 39.99 2qqw s ILE 483 CO 0.10 0.43 0.64 -0.67 0.00 0.00 0.00 174.94 175.44 2qqw n ASP 484 N 4.51 -0.61 0.00 3.58 4.64 -0.46 -1.09 116.55 127.12 2qqw n ASP 484 Ca -0.18 -2.88 0.00 0.00 -1.38 0.00 0.00 54.79 50.35 2qqw n ASP 484 Cb 0.51 0.03 0.00 0.00 -1.04 0.00 0.00 41.12 40.63 2qqw n ASP 484 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 2qqw n HIS 485 N 1.38 0.00 -0.93 -0.67 8.25 0.16 -2.92 115.22 120.50 2qqw n HIS 485 Ca 0.18 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.68 2qqw n HIS 485 Cb 0.57 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.73 2qqw n HIS 485 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2qqw n SER 486 N 0.83 1.52 -3.89 0.41 3.41 -1.25 -4.79 113.62 109.86 2qqw n SER 486 Ca 0.00 -2.31 -0.15 0.00 -0.26 0.00 0.00 58.87 56.15 2qqw n SER 486 Cb 0.00 -0.21 -0.15 0.00 -0.26 0.00 0.00 64.21 63.59 2qqw n SER 486 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qqw s VAL 487 N -1.45 0.21 -0.09 -3.33 0.11 -1.15 -2.21 120.40 112.50 2qqw s VAL 487 Ca 0.13 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.15 2qqw s VAL 487 Cb 0.11 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.75 2qqw s VAL 487 CO 0.01 0.09 -0.20 -0.69 -3.33 0.00 0.00 175.10 170.98 2qqw s VAL 488 N 0.26 1.73 -0.33 2.04 1.01 -0.76 -1.36 120.40 122.99 2qqw s VAL 488 Ca -0.02 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 2qqw s VAL 488 Cb -0.05 -1.52 0.07 0.00 0.00 0.00 0.00 36.38 34.89 2qqw s VAL 488 CO -0.01 0.49 0.05 -1.61 0.00 0.00 0.00 175.10 174.02 2qqw s GLU 489 N 0.47 2.16 -0.17 2.72 2.02 -0.52 -1.57 118.70 123.82 2qqw s GLU 489 Ca -0.17 -1.51 -0.07 0.00 0.02 0.00 0.00 54.97 53.24 2qqw s GLU 489 Cb -0.17 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 2qqw s GLU 489 CO 0.07 -0.78 0.08 -1.12 0.02 0.00 0.00 175.26 173.54 2qqw s SER 490 N 1.33 5.86 -0.19 -0.19 0.01 0.81 -1.48 113.70 119.84 2qqw s SER 490 Ca 0.00 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2qqw s SER 490 Cb -0.20 -1.96 0.04 0.00 0.21 0.00 0.00 66.02 64.11 2qqw s SER 490 CO -0.03 0.24 -0.08 -0.36 0.41 0.00 0.00 173.24 173.41 2qqw s PHE 491 N 0.00 2.22 0.14 2.43 0.08 0.56 -0.64 117.98 122.78 2qqw s PHE 491 Ca 0.07 -1.47 0.02 0.00 0.12 0.00 0.00 56.93 55.67 2qqw s PHE 491 Cb -0.12 -1.55 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 2qqw s PHE 491 CO 0.00 -0.71 0.27 0.20 -0.10 0.00 0.00 175.22 174.88 2qqw s GLY 492 N 1.46 1.75 -1.42 4.36 0.00 0.06 -0.09 107.32 113.45 2qqw s GLY 492 Ca -0.01 -1.02 -0.10 0.00 0.00 0.00 0.00 44.72 43.59 2qqw s GLY 492 CO -0.08 -1.02 1.08 0.61 0.00 0.00 0.00 173.10 173.69 2qqw n GLY 493 N -0.46 -0.51 4.00 0.20 0.00 -0.41 -2.12 105.19 105.90 2qqw n GLY 493 Ca -0.07 0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 2qqw n GLY 493 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qqw n LYS 494 N -4.81 -3.24 -0.08 1.61 4.76 -1.26 -2.55 118.16 112.60 2qqw n LYS 494 Ca -0.01 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 2qqw n LYS 494 Cb 0.56 -4.58 0.00 0.00 -1.84 0.00 0.00 35.03 29.17 2qqw n LYS 494 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qqw n GLY 495 N -1.93 0.58 0.17 0.72 0.00 -1.04 -4.85 105.19 98.83 2qqw n GLY 495 Ca -0.26 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.80 2qqw n GLY 495 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qqw h ARG 496 N 4.73 0.00 -3.67 1.61 3.08 -1.16 -2.75 114.38 116.23 2qqw h ARG 496 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 2qqw h ARG 496 Cb 0.00 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 29.69 2qqw h ARG 496 CO 0.00 0.45 -0.75 0.00 -1.07 0.00 0.00 179.97 178.59 2qqw s ALA 497 N -3.37 0.45 -0.07 0.04 0.00 -0.90 -4.83 121.76 113.08 2qqw s ALA 497 Ca 0.01 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.07 2qqw s ALA 497 Cb 0.10 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 2qqw s ALA 497 CO 0.71 -0.26 -0.19 0.00 0.00 0.00 0.00 175.76 176.02 2qqw s ILE 499 N -0.17 0.18 -0.10 0.00 1.01 0.19 -0.30 121.20 122.00 2qqw s ILE 499 Ca -0.02 0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.78 2qqw s ILE 499 Cb -0.14 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 2qqw s ILE 499 CO 0.03 0.20 0.08 -0.89 0.00 0.00 0.00 174.94 174.36 2qqw s THR 500 N 1.71 4.96 0.05 2.92 2.01 -1.26 -0.14 115.64 125.89 2qqw s THR 500 Ca 0.00 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 2qqw s THR 500 Cb -0.13 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 2qqw s THR 500 CO -0.03 0.61 -0.01 -0.94 -0.69 0.00 0.00 174.62 173.56 2qqw s SER 501 N -0.95 0.42 -0.23 3.53 1.04 -0.61 0.34 113.70 117.24 2qqw s SER 501 Ca 0.14 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.68 2qqw s SER 501 Cb -0.12 0.20 0.06 0.00 0.10 0.00 0.00 66.02 66.26 2qqw s SER 501 CO 0.03 -0.57 -0.07 -0.13 0.98 0.00 0.00 173.24 173.48 2qqw s ARG 502 N -3.58 1.74 0.15 4.02 1.81 -1.26 -1.83 118.95 120.00 2qqw s ARG 502 Ca 0.04 -0.97 0.10 0.00 -1.72 0.00 0.00 55.73 53.18 2qqw s ARG 502 Cb 0.05 -2.56 -0.04 0.00 -0.45 0.00 0.00 34.95 31.96 2qqw s ARG 502 CO -0.09 -0.56 -0.24 0.14 -0.68 0.00 0.00 175.30 173.88 2qqw s VAL 503 N 1.38 2.14 -0.48 3.52 -7.23 -0.94 -4.59 120.40 114.20 2qqw s VAL 503 Ca -0.05 -1.82 0.06 0.00 -1.81 0.00 0.00 61.98 58.36 2qqw s VAL 503 Cb -0.18 -1.94 0.20 0.00 0.56 0.00 0.00 36.38 35.02 2qqw s VAL 503 CO -0.07 -0.05 0.46 -1.22 -0.31 0.00 0.00 175.10 173.92 2qqw n TYR 504 N 0.68 0.43 -2.10 2.82 4.01 -1.26 -4.26 117.16 117.47 2qqw n TYR 504 Ca -0.16 -3.64 -0.39 0.00 -0.16 0.00 0.00 57.90 53.55 2qqw n TYR 504 Cb 0.54 -0.15 -0.01 0.00 -0.31 0.00 0.00 39.34 39.42 2qqw n TYR 504 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 2qqw s PRO 505 N -0.83 3.97 -0.01 -0.72 0.02 -1.26 -4.75 135.00 131.42 2qqw s PRO 505 Ca 0.33 2.09 -0.08 0.00 0.02 0.00 0.00 61.00 63.36 2qqw s PRO 505 Cb 0.07 -2.73 -0.30 0.00 0.02 0.00 0.00 34.50 31.57 2qqw s PRO 505 CO -0.15 -0.47 0.80 0.87 -0.33 0.00 0.00 177.00 177.72 2qqw h LYS 506 N 2.64 0.35 0.00 5.54 1.79 -1.93 -3.43 116.57 121.53 2qqw h LYS 506 Ca -0.49 -0.60 -0.21 0.00 -2.18 0.00 0.00 60.65 57.17 2qqw h LYS 506 Cb 1.24 0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 32.09 2qqw h LYS 506 CO 0.62 1.25 -1.46 1.28 -1.08 0.00 0.00 179.45 180.06 2qqw n LEU 507 N -3.55 1.90 -4.36 2.94 4.77 -1.26 -4.77 117.00 112.67 2qqw n LEU 507 Ca -0.20 0.42 -0.32 0.00 -0.03 0.00 0.00 56.01 55.88 2qqw n LEU 507 Cb 1.07 -0.85 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 2qqw n LEU 507 CO 0.52 0.10 1.66 0.00 -1.33 0.00 0.00 177.39 178.34 2qqw n ALA 508 N -3.95 2.19 -2.93 -1.18 0.00 -1.26 -4.74 120.51 108.64 2qqw n ALA 508 Ca -0.30 -3.11 -0.22 0.00 0.00 0.00 0.00 53.44 49.81 2qqw n ALA 508 Cb 0.63 -3.52 -0.16 0.00 0.00 0.00 0.00 19.45 16.40 2qqw n ALA 508 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qqw s ILE 509 N 9.50 1.03 0.00 0.00 1.01 -1.26 -4.68 121.20 126.79 2qqw s ILE 509 Ca 0.66 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.80 2qqw s ILE 509 Cb 0.03 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.61 2qqw s ILE 509 CO 0.13 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.99 2qqw n GLY 510 N 3.18 2.55 0.24 6.18 0.00 -1.26 -0.21 105.19 115.87 2qqw n GLY 510 Ca -0.18 0.35 0.16 0.00 0.00 0.00 0.00 46.02 46.36 2qqw n GLY 510 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2qqw h LYS 511 N 0.00 0.00 -0.41 1.61 2.10 -1.98 -3.06 116.57 114.83 2qqw h LYS 511 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2qqw h LYS 511 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2qqw h LYS 511 CO 0.00 0.00 0.00 0.43 -2.00 0.00 0.00 179.45 177.88 2qqw n SER 512 N -2.80 2.34 -4.89 7.07 7.64 0.71 -4.91 113.62 118.77 2qqw n SER 512 Ca 0.00 -1.97 -0.34 0.00 1.01 0.00 0.00 58.87 57.57 2qqw n SER 512 Cb 0.22 -0.27 -0.05 0.00 -1.01 0.00 0.00 64.21 63.10 2qqw n SER 512 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2qqw s SER 513 N -1.08 6.46 0.37 6.43 1.04 -1.16 -4.33 113.70 121.42 2qqw s SER 513 Ca 0.30 0.50 0.07 0.00 0.48 0.00 0.00 55.95 57.30 2qqw s SER 513 Cb 0.16 -2.06 -0.07 0.00 0.10 0.00 0.00 66.02 64.14 2qqw s SER 513 CO 0.21 0.25 -0.01 -1.00 0.98 0.00 0.00 173.24 173.68 2qqw s HIS 514 N -1.32 2.32 -0.08 5.02 3.76 0.99 -4.48 115.29 121.51 2qqw s HIS 514 Ca 0.28 -0.70 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 2qqw s HIS 514 Cb -0.13 -1.53 0.02 0.00 1.11 0.00 0.00 32.58 32.05 2qqw s HIS 514 CO 0.17 0.36 -0.06 -1.17 -0.85 0.00 0.00 174.74 173.19 2qqw s LEU 515 N -3.62 1.20 0.19 0.89 2.96 -1.26 -2.55 118.68 116.50 2qqw s LEU 515 Ca 0.34 -0.21 0.09 0.00 -0.22 0.00 0.00 54.13 54.13 2qqw s LEU 515 Cb 0.08 -0.66 -0.04 0.00 0.50 0.00 0.00 46.19 46.06 2qqw s LEU 515 CO 0.17 -0.08 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.56 2qqw s PHE 516 N 1.33 1.93 -0.09 5.38 0.08 0.22 -0.35 117.98 126.48 2qqw s PHE 516 Ca -0.03 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.57 2qqw s PHE 516 Cb -0.14 -0.93 -0.02 0.00 -0.57 0.00 0.00 43.02 41.36 2qqw s PHE 516 CO -0.03 0.41 -0.11 0.00 -0.10 0.00 0.00 175.22 175.39 2qqw s ALA 517 N -2.19 2.78 0.32 5.36 0.00 -0.76 -1.79 121.76 125.48 2qqw s ALA 517 Ca 0.19 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.28 2qqw s ALA 517 Cb -0.05 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 2qqw s ALA 517 CO 0.08 0.42 0.15 -0.59 0.00 0.00 0.00 175.76 175.83 2qqw s PHE 518 N -0.29 1.64 -0.30 0.00 -0.12 -0.54 -0.36 117.98 118.02 2qqw s PHE 518 Ca 0.03 -1.35 -0.04 0.00 -0.05 0.00 0.00 56.93 55.52 2qqw s PHE 518 Cb -0.13 -0.91 0.19 0.00 -0.63 0.00 0.00 43.02 41.54 2qqw s PHE 518 CO 0.03 -0.48 0.75 1.21 -0.05 0.00 0.00 175.22 176.68 2qqw s ASN 519 N -3.41 -1.11 -0.13 1.98 2.47 -0.73 -2.55 114.94 111.47 2qqw s ASN 519 Ca 0.34 0.56 0.15 0.00 0.42 0.00 0.00 52.86 54.33 2qqw s ASN 519 Cb 0.05 1.88 0.48 0.00 -1.45 0.00 0.00 41.25 42.20 2qqw s ASN 519 CO 0.17 -0.21 1.39 -1.22 -3.72 0.00 0.00 177.10 173.52 2qqw n TYR 520 N 5.42 0.85 -1.28 0.43 0.53 -0.03 -0.34 117.16 122.74 2qqw n TYR 520 Ca -0.01 -0.76 -0.29 0.00 -1.02 0.00 0.00 57.90 55.82 2qqw n TYR 520 Cb 0.53 -0.23 0.20 0.00 -1.03 0.00 0.00 39.34 38.80 2qqw n TYR 520 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 2qqw s GLY 521 N -1.60 1.60 0.21 2.72 0.00 -1.22 -4.51 107.32 104.52 2qqw s GLY 521 Ca 0.37 -0.78 0.09 0.00 0.00 0.00 0.00 44.72 44.41 2qqw s GLY 521 CO 0.11 -0.02 1.48 -0.97 0.00 0.00 0.00 173.10 173.70 2qqw h TYR 522 N -2.14 0.00 -3.12 1.90 -1.99 -1.32 -3.37 116.97 106.93 2qqw h TYR 522 Ca -0.48 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 59.59 2qqw h TYR 522 Cb 1.30 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.93 2qqw h TYR 522 CO -1.04 0.76 -0.58 -0.65 -0.00 0.00 0.00 178.16 176.66 2qqw s GLN 523 N -3.23 3.06 0.37 4.88 -1.52 -1.14 -4.71 119.66 117.36 2qqw s GLN 523 Ca -0.00 -0.46 -0.24 0.00 -1.95 0.00 0.00 55.36 52.71 2qqw s GLN 523 Cb 0.11 -2.86 -0.10 0.00 -0.22 0.00 0.00 33.01 29.95 2qqw s GLN 523 CO 0.78 0.66 0.98 -1.54 -0.25 0.00 0.00 175.29 175.92 2qqw s SER 524 N -1.54 7.09 0.12 5.90 1.04 -1.26 -4.54 113.70 120.51 2qqw s SER 524 Ca 0.21 1.87 0.08 0.00 0.48 0.00 0.00 55.95 58.58 2qqw s SER 524 Cb -0.12 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 2qqw s SER 524 CO 0.11 -0.25 -0.19 0.68 0.98 0.00 0.00 173.24 174.57 2qqw s VAL 525 N -1.74 1.66 -0.17 5.02 -7.23 -0.93 -4.58 120.40 112.44 2qqw s VAL 525 Ca 0.55 -1.64 -0.12 0.00 -1.81 0.00 0.00 61.98 58.95 2qqw s VAL 525 Cb -0.18 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 2qqw s VAL 525 CO 0.23 -0.17 0.23 -1.81 -0.31 0.00 0.00 175.10 173.27 2qqw s ASP 526 N -2.15 6.37 -0.67 4.85 1.11 -0.56 -1.68 116.67 123.93 2qqw s ASP 526 Ca 0.08 0.42 -0.22 0.00 0.18 0.00 0.00 52.55 53.02 2qqw s ASP 526 Cb -0.08 -2.15 0.08 0.00 1.07 0.00 0.00 42.92 41.83 2qqw s ASP 526 CO 0.05 0.14 0.95 -0.69 1.18 0.00 0.00 175.17 176.80 2qqw s VAL 527 N 0.34 4.39 0.10 -1.27 1.01 -0.14 -0.51 120.40 124.32 2qqw s VAL 527 Ca 0.14 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 2qqw s VAL 527 Cb -0.12 -4.67 -0.12 0.00 0.00 0.00 0.00 36.38 31.47 2qqw s VAL 527 CO 0.02 -1.43 1.69 -0.07 0.00 0.00 0.00 175.10 175.31 2qqw h LEU 528 N 11.18 -0.31 -7.12 3.92 3.38 -1.12 -1.62 115.31 123.60 2qqw h LEU 528 Ca -0.26 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 2qqw h LEU 528 Cb 1.07 0.11 -0.22 0.00 0.09 0.00 0.00 40.66 41.71 2qqw h LEU 528 CO 1.17 -0.17 -0.02 0.21 0.09 0.00 0.00 178.44 179.71 2qqw s ASN 529 N -4.99 -0.63 -0.05 -0.43 2.47 -1.21 -1.58 114.94 108.52 2qqw s ASN 529 Ca -0.14 1.20 -0.02 0.00 0.42 0.00 0.00 52.86 54.32 2qqw s ASN 529 Cb 0.07 1.21 0.04 0.00 -1.45 0.00 0.00 41.25 41.11 2qqw s ASN 529 CO 0.66 -0.21 0.10 -0.22 -3.72 0.00 0.00 177.10 173.71 2qqw s LEU 530 N 0.41 0.65 -0.10 3.21 2.96 -0.03 -0.08 118.68 125.70 2qqw s LEU 530 Ca -0.01 0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 2qqw s LEU 530 Cb -0.04 0.16 0.00 0.00 0.50 0.00 0.00 46.19 46.80 2qqw s LEU 530 CO -0.01 -0.17 -0.24 0.20 -1.32 0.00 0.00 176.35 174.82 2qqw s ASN 531 N 1.43 3.10 -0.12 3.68 0.01 -0.28 -0.95 114.94 121.80 2qqw s ASN 531 Ca -0.06 -0.56 0.01 0.00 -0.71 0.00 0.00 52.86 51.54 2qqw s ASN 531 Cb -0.12 -1.41 0.02 0.00 0.41 0.00 0.00 41.25 40.14 2qqw s ASN 531 CO -0.05 0.16 -0.14 0.00 -1.51 0.00 0.00 177.10 175.56 2qqw s ALA 532 N 0.36 1.72 -0.13 0.60 0.00 0.18 -0.81 121.76 123.68 2qqw s ALA 532 Ca -0.18 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 2qqw s ALA 532 Cb -0.18 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 2qqw s ALA 532 CO 0.09 -0.22 -0.09 -1.58 0.00 0.00 0.00 175.76 173.96 2qqw s TRP 533 N 1.23 2.90 0.31 0.00 0.51 0.11 -1.17 118.94 122.83 2qqw s TRP 533 Ca -0.01 -0.42 -0.29 0.00 -2.12 0.00 0.00 56.10 53.26 2qqw s TRP 533 Cb -0.14 -1.86 -0.10 0.00 -0.81 0.00 0.00 33.47 30.56 2qqw s TRP 533 CO -0.06 -0.07 1.39 -1.12 -0.51 0.00 0.00 176.95 176.59 2qqw s SER 534 N 0.18 6.65 -0.22 2.95 0.01 -1.26 -0.98 113.70 121.03 2qqw s SER 534 Ca -0.05 2.75 -0.08 0.00 1.31 0.00 0.00 55.95 59.88 2qqw s SER 534 Cb -0.14 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 2qqw s SER 534 CO 0.04 -0.66 0.08 -0.04 0.41 0.00 0.00 173.24 173.07 2qqw s MET 535 N -1.31 3.84 0.62 12.44 1.00 0.94 -0.61 119.30 136.23 2qqw s MET 535 Ca 0.54 -0.40 -0.16 0.00 0.00 0.00 0.00 55.69 55.67 2qqw s MET 535 Cb -0.42 -3.31 -0.02 0.00 0.00 0.00 0.00 34.83 31.08 2qqw s MET 535 CO 0.51 0.03 1.10 -0.80 0.00 0.00 0.00 175.02 175.87 2qqw s ASN 536 N 1.03 5.40 0.63 3.03 0.01 0.14 -4.77 114.94 120.41 2qqw s ASN 536 Ca 0.04 1.99 -0.16 0.00 -0.71 0.00 0.00 52.86 54.02 2qqw s ASN 536 Cb -0.14 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 2qqw s ASN 536 CO 0.03 -1.43 1.11 -0.44 -1.51 0.00 0.00 177.10 174.85 2qqw s SER 537 N -2.47 5.31 0.26 -1.22 0.01 -1.26 -4.76 113.70 109.56 2qqw s SER 537 Ca 0.67 2.00 0.05 0.00 1.31 0.00 0.00 55.95 59.98 2qqw s SER 537 Cb -0.20 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.45 2qqw s SER 537 CO 0.37 -1.49 0.38 0.00 0.41 0.00 0.00 173.24 172.91 2qqw s ALA 538 N -2.26 3.96 -0.73 1.44 0.00 0.55 -4.97 121.76 119.75 2qqw s ALA 538 Ca 0.67 -1.25 -0.19 0.00 0.00 0.00 0.00 51.96 51.20 2qqw s ALA 538 Cb -0.20 -1.74 0.12 0.00 0.00 0.00 0.00 23.12 21.30 2qqw s ALA 538 CO 0.38 0.19 0.88 -1.14 0.00 0.00 0.00 175.76 176.07 2qqw s GLN 539 N -4.02 3.29 -0.03 0.00 2.00 -1.26 -4.88 119.66 114.76 2qqw s GLN 539 Ca 0.36 -1.51 0.03 0.00 -2.00 0.00 0.00 55.36 52.24 2qqw s GLN 539 Cb -0.09 -4.47 -0.00 0.00 0.80 0.00 0.00 33.01 29.25 2qqw s GLN 539 CO 0.30 -1.62 -0.12 0.42 -0.50 0.00 0.00 175.29 173.76 2qqw s ILE 540 N 2.59 1.02 0.00 -2.34 1.01 -1.26 0.81 121.20 123.03 2qqw s ILE 540 Ca 0.20 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.35 2qqw s ILE 540 Cb -0.16 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.43 2qqw s ILE 540 CO 0.00 0.30 0.00 -1.54 0.00 0.00 0.00 174.94 173.71