#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2whj n GLY 4 N 0.00 1.54 3.75 0.00 0.00 -1.24 -3.81 105.19 105.43 2whj n GLY 4 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2whj n GLY 4 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2whj s PHE 5 N 1.43 2.41 0.03 1.61 0.08 -0.71 -3.90 117.98 118.93 2whj s PHE 5 Ca 0.00 1.45 -0.15 0.00 0.12 0.00 0.00 56.93 58.35 2whj s PHE 5 Cb 0.00 -3.64 0.03 0.00 -0.57 0.00 0.00 43.02 38.84 2whj s PHE 5 CO 0.00 -2.47 0.34 1.52 -0.10 0.00 0.00 175.22 174.51 2whj s TYR 6 N -1.42 -0.17 0.22 0.36 1.13 -0.49 -4.31 117.35 112.67 2whj s TYR 6 Ca 0.72 0.11 0.05 0.00 -1.41 0.00 0.00 57.07 56.54 2whj s TYR 6 Cb -0.36 0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.60 2whj s TYR 6 CO 0.41 -0.50 0.30 0.14 -2.51 0.00 0.00 175.55 173.40 2whj s VAL 7 N -2.25 5.08 -0.20 -3.49 -7.23 -1.26 0.24 120.40 111.29 2whj s VAL 7 Ca -0.07 -1.01 -0.05 0.00 -1.81 0.00 0.00 61.98 59.04 2whj s VAL 7 Cb -0.02 -3.73 0.10 0.00 0.56 0.00 0.00 36.38 33.30 2whj s VAL 7 CO -0.01 -0.28 0.36 -0.62 -0.31 0.00 0.00 175.10 174.24 2whj s ASP 8 N -3.77 0.14 1.13 4.85 2.15 -0.26 -4.93 116.67 115.98 2whj s ASP 8 Ca 0.34 0.56 0.00 0.00 0.43 0.00 0.00 52.55 53.88 2whj s ASP 8 Cb -0.09 1.09 0.00 0.00 -0.30 0.00 0.00 42.92 43.62 2whj s ASP 8 CO 0.28 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.62 2whj n GLY 9 N 5.37 3.07 0.78 2.66 0.00 -1.26 -2.02 105.19 113.79 2whj n GLY 9 Ca -0.06 -0.32 0.02 0.00 0.00 0.00 0.00 46.02 45.66 2whj n GLY 9 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2whj n ASN 10 N 1.53 2.07 -4.33 1.61 0.23 -1.24 -3.21 115.26 111.93 2whj n ASN 10 Ca 0.00 -2.20 -0.32 0.00 -0.53 0.00 0.00 54.58 51.53 2whj n ASN 10 Cb 0.00 -0.46 -0.15 0.00 -2.08 0.00 0.00 39.78 37.08 2whj n ASN 10 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2whj s THR 11 N -1.55 2.35 -0.16 5.53 2.01 -0.86 -4.49 115.64 118.48 2whj s THR 11 Ca 0.15 -0.97 -0.13 0.00 0.31 0.00 0.00 61.69 61.05 2whj s THR 11 Cb 0.11 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 2whj s THR 11 CO 0.06 0.57 0.27 -0.22 -0.69 0.00 0.00 174.62 174.61 2whj s LEU 12 N -0.32 4.25 -0.03 4.42 2.96 -1.26 -1.10 118.68 127.61 2whj s LEU 12 Ca 0.01 0.49 0.05 0.00 -0.22 0.00 0.00 54.13 54.47 2whj s LEU 12 Cb -0.13 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 2whj s LEU 12 CO 0.02 0.13 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.70 2whj s TYR 13 N 0.34 2.62 1.01 5.38 1.51 0.14 -0.44 117.35 127.90 2whj s TYR 13 Ca 0.16 -0.22 -0.17 0.00 -1.01 0.00 0.00 57.07 55.83 2whj s TYR 13 Cb -0.13 -1.57 0.21 0.00 -0.11 0.00 0.00 41.96 40.36 2whj s TYR 13 CO 0.03 0.17 1.28 0.16 -1.11 0.00 0.00 175.55 176.08 2whj s ASP 14 N -0.87 2.70 0.20 2.29 1.47 0.20 -1.39 116.67 121.27 2whj s ASP 14 Ca 0.12 0.35 0.21 0.00 1.18 0.00 0.00 52.55 54.41 2whj s ASP 14 Cb -0.10 -0.44 0.89 0.00 -0.34 0.00 0.00 42.92 42.92 2whj s ASP 14 CO 0.01 -3.00 1.63 0.00 0.68 0.00 0.00 175.17 174.50 2whj n ALA 15 N -3.96 1.58 -0.53 2.11 0.00 -1.25 -0.77 120.51 117.70 2whj n ALA 15 Ca 0.15 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.74 2whj n ALA 15 Cb 0.59 -1.34 0.35 0.00 0.00 0.00 0.00 19.45 19.06 2whj n ALA 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2whj n ASN 16 N -2.06 4.63 -0.39 0.00 5.03 -1.26 -4.92 115.26 116.29 2whj n ASN 16 Ca 0.02 -2.41 -0.05 0.00 0.87 0.00 0.00 54.58 53.01 2whj n ASN 16 Cb 0.19 -0.57 -0.02 0.00 -1.02 0.00 0.00 39.78 38.36 2whj n ASN 16 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2whj n GLY 17 N 1.17 0.76 3.71 7.41 0.00 0.05 -5.01 105.19 113.28 2whj n GLY 17 Ca 0.25 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 2whj n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2whj s GLN 18 N -2.07 4.15 0.35 1.61 -1.52 -1.25 -4.82 119.66 116.12 2whj s GLN 18 Ca 0.00 -0.24 -0.27 0.00 -1.95 0.00 0.00 55.36 52.91 2whj s GLN 18 Cb 0.00 -3.44 -0.12 0.00 -0.22 0.00 0.00 33.01 29.23 2whj s GLN 18 CO 0.00 0.25 1.10 -2.30 -0.25 0.00 0.00 175.29 174.09 2whj n PRO 19 N 3.69 1.60 -3.92 2.91 -0.02 -1.26 -0.63 135.00 137.38 2whj n PRO 19 Ca -0.16 0.57 -0.28 0.00 -2.02 0.00 0.00 63.50 61.61 2whj n PRO 19 Cb 0.52 -2.07 -0.17 0.00 -0.02 0.00 0.00 33.50 31.76 2whj n PRO 19 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2whj s PHE 20 N -1.15 1.66 -0.32 6.00 5.36 0.41 -4.76 117.98 125.19 2whj s PHE 20 Ca 0.59 -0.93 -0.03 0.00 -0.96 0.00 0.00 56.93 55.61 2whj s PHE 20 Cb -0.61 -1.32 0.05 0.00 -0.34 0.00 0.00 43.02 40.81 2whj s PHE 20 CO 0.60 -0.57 0.03 0.08 -1.46 0.00 0.00 175.22 173.90 2whj s VAL 21 N 1.65 3.16 0.24 3.12 1.01 -1.26 -4.50 120.40 123.82 2whj s VAL 21 Ca 0.04 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.33 2whj s VAL 21 Cb -0.13 -2.84 -0.10 0.00 0.00 0.00 0.00 36.38 33.31 2whj s VAL 21 CO -0.08 -0.16 1.45 -0.04 0.00 0.00 0.00 175.10 176.27 2whj s MET 22 N 1.27 4.26 -0.32 2.72 1.00 -1.26 -4.73 119.30 122.23 2whj s MET 22 Ca -0.04 2.32 -0.01 0.00 0.00 0.00 0.00 55.69 57.96 2whj s MET 22 Cb -0.20 -3.11 0.13 0.00 0.00 0.00 0.00 34.83 31.65 2whj s MET 22 CO -0.01 -0.44 0.22 1.03 0.00 0.00 0.00 175.02 175.82 2whj s ARG 23 N -0.28 0.39 0.00 2.03 1.81 -1.24 -0.61 118.95 121.05 2whj s ARG 23 Ca 0.60 -0.75 0.00 0.00 -1.72 0.00 0.00 55.73 53.86 2whj s ARG 23 Cb -0.42 -1.05 0.00 0.00 -0.45 0.00 0.00 34.95 33.03 2whj s ARG 23 CO 0.43 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.35 2whj n GLY 24 N 4.75 2.71 2.86 -3.53 0.00 -0.56 -1.15 105.19 110.28 2whj n GLY 24 Ca 0.03 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 2whj n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2whj s ILE 25 N -2.05 -0.02 0.20 -0.61 1.01 -1.06 -0.89 121.20 117.79 2whj s ILE 25 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 2whj s ILE 25 Cb 0.00 -0.06 -0.08 0.00 0.01 0.00 0.00 42.46 42.33 2whj s ILE 25 CO 0.00 0.03 0.97 0.20 0.00 0.00 0.00 174.94 176.13 2whj s ASN 26 N 0.32 7.56 -0.13 3.58 0.01 -0.10 -1.27 114.94 124.91 2whj s ASN 26 Ca -0.03 1.93 0.01 0.00 -0.71 0.00 0.00 52.86 54.07 2whj s ASN 26 Cb -0.04 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.04 2whj s ASN 26 CO -0.01 0.06 -0.14 -2.28 -1.51 0.00 0.00 177.10 173.21 2whj s HIS 27 N -0.79 2.08 -1.11 2.20 5.65 0.22 -0.54 115.29 123.00 2whj s HIS 27 Ca 0.43 -1.10 -0.08 0.00 0.25 0.00 0.00 55.06 54.56 2whj s HIS 27 Cb -0.26 -1.52 -0.14 0.00 -1.18 0.00 0.00 32.58 29.48 2whj s HIS 27 CO 0.32 -0.59 3.06 0.41 -0.65 0.00 0.00 174.74 177.29 2whj n GLY 28 N 4.55 3.79 0.27 1.59 0.00 -1.26 -2.05 105.19 112.07 2whj n GLY 28 Ca -0.18 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.54 2whj n GLY 28 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2whj h HIS 29 N 4.56 0.10 -0.67 1.61 6.17 -1.85 -2.17 115.15 122.89 2whj h HIS 29 Ca 0.65 0.05 0.16 0.00 0.71 0.00 0.00 60.37 61.95 2whj h HIS 29 Cb 0.61 0.07 -0.04 0.00 2.52 0.00 0.00 27.41 30.57 2whj h HIS 29 CO 1.86 -0.17 0.47 0.00 0.71 0.00 0.00 177.93 180.80 2whj h ALA 30 N 1.65 2.37 0.00 5.26 0.00 -0.97 -0.18 119.26 127.39 2whj h ALA 30 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2whj h ALA 30 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2whj h ALA 30 CO -0.58 -0.56 -0.76 0.91 0.00 0.00 0.00 179.25 178.26 2whj n TRP 31 N -4.41 0.47 -3.11 0.00 8.01 -0.82 -4.40 117.44 113.17 2whj n TRP 31 Ca 0.13 0.14 -0.17 0.00 -1.31 0.00 0.00 57.50 56.28 2whj n TRP 31 Cb 0.62 -0.59 -0.02 0.00 -2.01 0.00 0.00 31.31 29.31 2whj n TRP 31 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2whj n TYR 32 N -2.07 -0.45 -0.02 -5.99 4.01 -0.17 -4.99 117.16 107.47 2whj n TYR 32 Ca 0.03 -3.47 0.07 0.00 -0.16 0.00 0.00 57.90 54.36 2whj n TYR 32 Cb 0.44 -0.06 0.45 0.00 -0.31 0.00 0.00 39.34 39.87 2whj n TYR 32 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2whj h LYS 33 N 3.20 0.48 0.00 -0.72 1.57 -1.53 -2.49 116.57 117.08 2whj h LYS 33 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2whj h LYS 33 Cb 0.97 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2whj h LYS 33 CO 0.44 0.32 0.00 -0.25 -0.57 0.00 0.00 179.45 179.38 2whj n ASP 34 N -4.48 0.76 -0.04 0.86 8.00 -1.26 -3.39 116.55 116.99 2whj n ASP 34 Ca 0.05 0.65 0.14 0.00 0.71 0.00 0.00 54.79 56.35 2whj n ASP 34 Cb 0.17 -0.82 0.66 0.00 -0.02 0.00 0.00 41.12 41.11 2whj n ASP 34 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2whj n THR 35 N -2.29 0.00 -0.17 -3.53 -2.24 -0.94 -4.40 114.28 100.71 2whj n THR 35 Ca 0.03 -0.02 -0.02 0.00 -2.27 0.00 0.00 64.05 61.77 2whj n THR 35 Cb 0.29 -0.31 0.08 0.00 -2.10 0.00 0.00 70.33 68.29 2whj n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2whj h ALA 36 N 3.44 0.60 0.00 6.98 0.00 -1.75 0.13 119.26 128.66 2whj h ALA 36 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2whj h ALA 36 Cb 0.34 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2whj h ALA 36 CO 0.00 -0.31 0.00 -1.13 0.00 0.00 0.00 179.25 177.81 2whj n SER 37 N -5.12 0.00 -0.10 0.00 3.41 -1.26 -1.31 113.62 109.24 2whj n SER 37 Ca 0.06 0.04 -0.20 0.00 -0.26 0.00 0.00 58.87 58.52 2whj n SER 37 Cb 0.26 -0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 63.84 2whj n SER 37 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2whj n THR 38 N -1.31 1.31 -0.20 6.66 -1.04 -0.22 -4.52 114.28 114.96 2whj n THR 38 Ca 0.09 -0.17 -0.07 0.00 -2.04 0.00 0.00 64.05 61.86 2whj n THR 38 Cb 0.17 -1.93 0.07 0.00 -1.82 0.00 0.00 70.33 66.82 2whj n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2whj h ALA 39 N -0.82 0.93 0.13 2.41 0.00 -0.77 -2.63 119.26 118.51 2whj h ALA 39 Ca -0.41 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 2whj h ALA 39 Cb 1.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2whj h ALA 39 CO -0.25 0.65 -0.06 0.82 0.00 0.00 0.00 179.25 180.41 2whj h ILE 40 N 0.95 1.04 -0.27 0.00 2.04 -1.41 0.03 117.51 119.89 2whj h ILE 40 Ca 0.18 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 2whj h ILE 40 Cb 0.49 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2whj h ILE 40 CO 0.02 0.17 0.08 1.55 0.00 0.00 0.00 178.15 179.97 2whj h PRO 41 N -0.52 0.37 -0.63 2.37 0.13 -1.78 -2.02 132.00 129.92 2whj h PRO 41 Ca -0.02 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.97 2whj h PRO 41 Cb 0.42 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.45 2whj h PRO 41 CO 0.03 0.34 0.03 0.00 -0.23 0.00 0.00 178.00 178.17 2whj h ALA 42 N 1.72 0.86 -0.45 -0.56 0.00 -1.15 0.88 119.26 120.55 2whj h ALA 42 Ca 0.09 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2whj h ALA 42 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2whj h ALA 42 CO -0.01 0.67 0.10 0.82 0.00 0.00 0.00 179.25 180.84 2whj h ILE 43 N 1.00 1.24 -0.76 0.00 2.04 -0.73 -2.59 117.51 117.71 2whj h ILE 43 Ca 0.18 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2whj h ILE 43 Cb 0.53 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 2whj h ILE 43 CO 0.03 0.29 0.49 0.00 0.00 0.00 0.00 178.15 178.96 2whj h ALA 44 N 0.96 1.44 0.00 1.87 0.00 -0.84 -1.98 119.26 120.72 2whj h ALA 44 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2whj h ALA 44 Cb 0.33 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2whj h ALA 44 CO 0.00 0.51 -0.00 0.93 0.00 0.00 0.00 179.25 180.69 2whj h GLU 45 N 1.03 0.00 -0.00 0.00 5.08 -0.44 -1.08 114.58 119.17 2whj h GLU 45 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2whj h GLU 45 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2whj h GLU 45 CO -0.06 0.00 -0.06 1.04 -1.00 0.00 0.00 179.01 178.94 2whj n GLN 46 N -3.11 0.80 -0.23 2.33 1.13 -0.75 -4.91 117.38 112.65 2whj n GLN 46 Ca -0.02 -0.22 0.00 0.00 -1.94 0.00 0.00 57.00 54.83 2whj n GLN 46 Cb 0.16 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.02 2whj n GLN 46 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2whj n GLY 47 N 1.21 0.74 3.75 1.08 0.00 -0.41 -4.48 105.19 107.08 2whj n GLY 47 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2whj n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whj s ALA 48 N -2.24 3.71 -1.28 4.61 0.00 -1.21 -4.73 121.76 120.63 2whj s ALA 48 Ca 0.00 1.53 0.24 0.00 0.00 0.00 0.00 51.96 53.73 2whj s ALA 48 Cb 0.00 -3.63 0.38 0.00 0.00 0.00 0.00 23.12 19.87 2whj s ALA 48 CO 0.00 -0.95 1.33 0.27 0.00 0.00 0.00 175.76 176.41 2whj n ASN 49 N 2.09 0.86 -3.77 0.00 0.23 -0.30 -4.72 115.26 109.65 2whj n ASN 49 Ca 0.07 -0.66 -0.13 0.00 -0.53 0.00 0.00 54.58 53.33 2whj n ASN 49 Cb 0.38 0.39 -0.11 0.00 -2.08 0.00 0.00 39.78 38.35 2whj n ASN 49 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2whj s THR 50 N -2.83 0.00 -0.07 5.53 2.01 -1.25 -1.26 115.64 117.78 2whj s THR 50 Ca 0.14 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.18 2whj s THR 50 Cb 0.18 -0.42 -0.00 0.00 0.01 0.00 0.00 72.50 72.27 2whj s THR 50 CO 0.68 -0.01 -0.23 -0.51 -0.69 0.00 0.00 174.62 173.86 2whj s ILE 51 N 0.12 1.89 -0.26 1.82 2.07 -0.03 -2.56 121.20 124.25 2whj s ILE 51 Ca -0.00 -0.96 -0.12 0.00 -1.41 0.00 0.00 60.65 58.16 2whj s ILE 51 Cb -0.02 -1.62 -0.05 0.00 0.13 0.00 0.00 42.46 40.91 2whj s ILE 51 CO 0.00 0.53 0.25 -0.60 -1.91 0.00 0.00 174.94 173.21 2whj s ARG 52 N 0.07 4.03 -0.30 3.50 3.52 -0.40 -0.56 118.95 128.81 2whj s ARG 52 Ca -0.09 -0.16 -0.07 0.00 -0.13 0.00 0.00 55.73 55.28 2whj s ARG 52 Cb -0.15 -3.61 0.01 0.00 -1.56 0.00 0.00 34.95 29.64 2whj s ARG 52 CO 0.05 -0.11 0.09 0.42 -0.81 0.00 0.00 175.30 174.94 2whj s ILE 53 N 1.57 4.06 -0.35 4.11 1.01 0.50 -0.61 121.20 131.50 2whj s ILE 53 Ca 0.10 -0.66 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 2whj s ILE 53 Cb -0.15 -3.10 -0.00 0.00 0.01 0.00 0.00 42.46 39.22 2whj s ILE 53 CO 0.08 0.07 1.52 -0.69 0.00 0.00 0.00 174.94 175.92 2whj s VAL 54 N 1.52 3.81 0.17 2.92 1.01 -0.87 -2.08 120.40 126.87 2whj s VAL 54 Ca 0.03 0.85 0.06 0.00 0.00 0.00 0.00 61.98 62.92 2whj s VAL 54 Cb -0.17 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2whj s VAL 54 CO 0.03 -0.56 0.05 -0.76 0.00 0.00 0.00 175.10 173.86 2whj s LEU 55 N 5.57 3.50 -0.06 3.92 1.43 0.36 -0.34 118.68 133.05 2whj s LEU 55 Ca 0.66 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.52 2whj s LEU 55 Cb -0.18 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 2whj s LEU 55 CO 0.31 0.08 -0.21 -0.55 0.23 0.00 0.00 176.35 176.21 2whj s SER 56 N -3.00 3.39 -0.04 2.29 0.15 -1.26 -1.18 113.70 114.05 2whj s SER 56 Ca 0.29 -0.42 0.09 0.00 0.70 0.00 0.00 55.95 56.60 2whj s SER 56 Cb -0.10 -0.92 0.32 0.00 -1.71 0.00 0.00 66.02 63.62 2whj s SER 56 CO 0.20 0.26 1.18 -0.90 1.20 0.00 0.00 173.24 175.18 2whj n ASP 57 N 2.87 2.29 0.00 5.45 5.68 -1.26 -0.82 116.55 130.76 2whj n ASP 57 Ca -0.17 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 51.96 2whj n ASP 57 Cb 0.52 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 2whj n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2whj n GLY 58 N 0.76 0.81 0.14 6.12 0.00 -1.25 -4.80 105.19 106.98 2whj n GLY 58 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 2whj n GLY 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2whj h GLY 59 N 0.00 0.44 0.00 -0.02 0.00 -1.92 -3.39 103.07 98.18 2whj h GLY 59 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2whj h GLY 59 CO 0.00 0.43 -0.27 -1.06 0.00 0.00 0.00 176.54 175.63 2whj n GLN 60 N -4.49 4.00 -3.78 4.80 6.02 -1.26 -5.09 117.38 117.59 2whj n GLN 60 Ca -0.06 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.77 2whj n GLN 60 Cb 0.40 -0.56 -0.06 0.00 1.02 0.00 0.00 30.24 31.04 2whj n GLN 60 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2whj n TRP 61 N -0.91 -0.66 -2.14 1.08 8.01 -1.26 -5.13 117.44 116.43 2whj n TRP 61 Ca 0.00 -2.23 -0.42 0.00 -1.31 0.00 0.00 57.50 53.54 2whj n TRP 61 Cb 0.00 0.24 -0.03 0.00 -2.01 0.00 0.00 31.31 29.51 2whj n TRP 61 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 2whj s GLU 62 N -3.07 4.31 0.36 -0.99 2.12 -1.26 -3.87 118.70 116.30 2whj s GLU 62 Ca 0.32 2.11 -0.28 0.00 0.36 0.00 0.00 54.97 57.47 2whj s GLU 62 Cb 0.01 -3.23 -0.11 0.00 0.26 0.00 0.00 34.13 31.06 2whj s GLU 62 CO 0.22 -0.45 1.50 0.21 -0.54 0.00 0.00 175.26 176.20 2whj s LYS 63 N 1.06 4.12 -0.34 4.30 2.20 -1.26 -4.58 119.74 125.24 2whj s LYS 63 Ca 0.65 2.56 -0.19 0.00 -0.36 0.00 0.00 55.97 58.63 2whj s LYS 63 Cb -0.38 -2.98 -0.00 0.00 -1.51 0.00 0.00 37.83 32.96 2whj s LYS 63 CO 0.31 -0.54 0.57 -0.51 -0.36 0.00 0.00 175.35 174.82 2whj s ASP 64 N -0.06 6.39 0.82 1.43 1.01 -0.00 -4.90 116.67 121.36 2whj s ASP 64 Ca 0.54 0.15 -0.10 0.00 0.71 0.00 0.00 52.55 53.85 2whj s ASP 64 Cb -0.46 -2.30 0.13 0.00 1.01 0.00 0.00 42.92 41.30 2whj s ASP 64 CO 0.60 -0.50 1.15 1.51 0.21 0.00 0.00 175.17 178.15 2whj s ASP 65 N 1.73 4.03 0.40 0.27 1.47 -1.26 -4.81 116.67 118.51 2whj s ASP 65 Ca 0.22 0.27 0.12 0.00 1.18 0.00 0.00 52.55 54.34 2whj s ASP 65 Cb -0.15 -0.61 0.84 0.00 -0.34 0.00 0.00 42.92 42.66 2whj s ASP 65 CO 0.13 -2.13 1.91 -0.29 0.68 0.00 0.00 175.17 175.47 2whj h ILE 66 N -1.05 1.20 -0.05 2.11 2.10 -1.97 -1.94 117.51 117.90 2whj h ILE 66 Ca -0.43 -0.92 -0.18 0.00 1.08 0.00 0.00 64.86 64.40 2whj h ILE 66 Cb 1.28 1.45 -0.01 0.00 -1.09 0.00 0.00 36.82 38.45 2whj h ILE 66 CO 0.49 0.27 -0.76 0.44 -1.08 0.00 0.00 178.15 177.51 2whj h ASP 67 N 0.05 0.36 -0.32 2.19 3.32 -1.99 -1.67 116.42 118.37 2whj h ASP 67 Ca 0.01 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 2whj h ASP 67 Cb 0.47 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2whj h ASP 67 CO 0.03 0.99 0.10 0.74 -1.72 0.00 0.00 179.24 179.39 2whj h THR 68 N 0.20 1.20 -0.21 0.35 2.02 -1.77 -1.32 112.91 113.38 2whj h THR 68 Ca -0.03 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 66.51 2whj h THR 68 Cb 1.34 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 2whj h THR 68 CO 0.12 0.22 0.07 0.40 0.37 0.00 0.00 175.52 176.71 2whj h ILE 69 N 0.36 0.95 -0.77 3.11 2.04 -1.24 -1.25 117.51 120.70 2whj h ILE 69 Ca 0.10 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 65.97 2whj h ILE 69 Cb 0.25 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 2whj h ILE 69 CO -0.00 0.03 0.45 0.03 0.00 0.00 0.00 178.15 178.66 2whj h ARG 70 N 0.18 0.79 -0.25 2.37 3.08 -1.22 -1.64 114.38 117.69 2whj h ARG 70 Ca 0.09 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2whj h ARG 70 Cb 0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2whj h ARG 70 CO -0.09 0.52 0.14 1.49 -1.07 0.00 0.00 179.97 180.96 2whj h GLU 71 N 0.82 0.35 -0.35 0.04 4.81 -0.67 -0.90 114.58 118.66 2whj h GLU 71 Ca 0.35 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.39 2whj h GLU 71 Cb 0.21 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2whj h GLU 71 CO -0.19 0.30 -0.38 -0.39 -0.73 0.00 0.00 179.01 177.61 2whj h VAL 72 N 0.30 1.28 -0.27 0.32 -1.51 -1.05 -0.77 116.25 114.54 2whj h VAL 72 Ca 0.09 -1.55 -0.00 0.00 -1.23 0.00 0.00 66.70 64.00 2whj h VAL 72 Cb 0.05 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.60 2whj h VAL 72 CO -0.02 0.51 0.16 0.40 -1.23 0.00 0.00 177.57 177.40 2whj h ILE 73 N 0.69 1.11 -0.43 7.19 2.04 -1.21 -0.19 117.51 126.72 2whj h ILE 73 Ca 0.06 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.68 2whj h ILE 73 Cb 0.95 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2whj h ILE 73 CO 0.09 0.10 0.25 -0.08 0.00 0.00 0.00 178.15 178.51 2whj h GLU 74 N 0.33 0.49 -0.56 2.37 4.57 -1.05 -0.56 114.58 120.16 2whj h GLU 74 Ca 0.10 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.30 2whj h GLU 74 Cb 0.03 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.46 2whj h GLU 74 CO -0.02 0.32 0.28 -0.07 -1.18 0.00 0.00 179.01 178.34 2whj h LEU 75 N 0.50 0.38 -0.21 1.64 3.38 -0.91 -0.06 115.31 120.03 2whj h LEU 75 Ca 0.17 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2whj h LEU 75 Cb 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2whj h LEU 75 CO -0.08 0.25 0.13 0.00 0.09 0.00 0.00 178.44 178.83 2whj h ALA 76 N 1.32 0.27 -0.07 1.53 0.00 -0.35 -1.86 119.26 120.10 2whj h ALA 76 Ca 0.26 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2whj h ALA 76 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2whj h ALA 76 CO -0.19 -0.23 0.02 0.93 0.00 0.00 0.00 179.25 179.78 2whj h GLU 77 N 0.26 0.05 -0.35 0.00 5.08 -0.91 -0.31 114.58 118.40 2whj h GLU 77 Ca 0.08 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2whj h GLU 77 Cb 0.02 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2whj h GLU 77 CO -0.01 0.03 0.24 1.96 -1.00 0.00 0.00 179.01 180.23 2whj h GLN 78 N 0.05 0.19 -0.60 2.33 1.08 -0.91 -1.13 115.11 116.12 2whj h GLN 78 Ca 0.03 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2whj h GLN 78 Cb 0.02 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2whj h GLN 78 CO -0.03 0.13 0.00 0.09 -0.95 0.00 0.00 178.83 178.06 2whj n ASN 79 N -4.47 3.34 -3.51 1.46 3.02 -0.71 -4.95 115.26 109.43 2whj n ASN 79 Ca 0.04 -2.09 -0.24 0.00 -0.03 0.00 0.00 54.58 52.26 2whj n ASN 79 Cb 0.28 -0.42 0.08 0.00 -0.61 0.00 0.00 39.78 39.11 2whj n ASN 79 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2whj n LYS 80 N 1.12 -7.66 -5.04 3.52 5.02 -0.43 -4.88 118.16 109.82 2whj n LYS 80 Ca 0.20 0.83 -0.32 0.00 -2.02 0.00 0.00 58.31 57.00 2whj n LYS 80 Cb 0.56 -5.84 -0.14 0.00 -0.02 0.00 0.00 35.03 29.59 2whj n LYS 80 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2whj s MET 81 N -6.25 2.30 0.25 1.97 -1.94 -0.24 -4.76 119.30 110.62 2whj s MET 81 Ca 0.56 -0.82 -0.30 0.00 -1.71 0.00 0.00 55.69 53.42 2whj s MET 81 Cb -0.25 -2.22 -0.10 0.00 2.01 0.00 0.00 34.83 34.27 2whj s MET 81 CO 0.69 0.59 1.43 0.08 -0.01 0.00 0.00 175.02 177.80 2whj s VAL 82 N -0.70 2.69 -0.28 -6.03 1.01 -0.39 -4.03 120.40 112.67 2whj s VAL 82 Ca 0.11 0.58 -0.10 0.00 0.00 0.00 0.00 61.98 62.57 2whj s VAL 82 Cb -0.10 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2whj s VAL 82 CO 0.00 0.09 0.16 0.00 0.00 0.00 0.00 175.10 175.35 2whj s ALA 83 N -0.02 3.40 -0.44 5.51 0.00 -0.45 -0.85 121.76 128.91 2whj s ALA 83 Ca 0.59 -1.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 2whj s ALA 83 Cb -0.42 -2.37 0.03 0.00 0.00 0.00 0.00 23.12 20.37 2whj s ALA 83 CO 0.43 -0.60 0.48 0.08 0.00 0.00 0.00 175.76 176.14 2whj s VAL 84 N 1.70 5.05 0.07 0.00 1.01 0.28 -0.84 120.40 127.68 2whj s VAL 84 Ca 0.07 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 2whj s VAL 84 Cb -0.16 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 2whj s VAL 84 CO 0.08 -0.52 0.39 0.68 0.00 0.00 0.00 175.10 175.74 2whj s VAL 85 N 2.21 5.10 -0.06 2.92 -7.23 -0.30 -0.37 120.40 122.67 2whj s VAL 85 Ca 0.12 0.45 -0.13 0.00 -1.81 0.00 0.00 61.98 60.60 2whj s VAL 85 Cb -0.18 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 33.14 2whj s VAL 85 CO 0.13 0.30 0.31 -1.83 -0.31 0.00 0.00 175.10 173.70 2whj s GLU 86 N -1.88 0.55 -0.22 4.82 4.04 -0.88 -0.64 118.70 124.49 2whj s GLU 86 Ca 0.32 0.07 -0.11 0.00 0.04 0.00 0.00 54.97 55.29 2whj s GLU 86 Cb -0.14 0.25 -0.05 0.00 0.02 0.00 0.00 34.13 34.21 2whj s GLU 86 CO 0.18 -0.13 0.20 0.08 -1.84 0.00 0.00 175.26 173.75 2whj s VAL 87 N -0.72 5.34 -1.81 1.83 1.01 -1.24 -0.49 120.40 124.33 2whj s VAL 87 Ca -0.08 0.29 0.21 0.00 0.00 0.00 0.00 61.98 62.39 2whj s VAL 87 Cb -0.04 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2whj s VAL 87 CO 0.03 0.36 1.01 1.57 0.00 0.00 0.00 175.10 178.06 2whj n HIS 88 N 4.08 0.00 0.60 5.22 -0.00 -0.33 -0.65 115.22 124.14 2whj n HIS 88 Ca -0.14 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.16 2whj n HIS 88 Cb 0.52 0.00 0.45 0.00 -0.12 0.00 0.00 29.99 30.84 2whj n HIS 88 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2whj n ASP 89 N -0.17 0.63 -1.45 0.26 9.92 -1.26 -2.64 116.55 121.83 2whj n ASP 89 Ca 0.08 0.59 0.10 0.00 -0.53 0.00 0.00 54.79 55.03 2whj n ASP 89 Cb 0.42 -0.75 0.33 0.00 -0.64 0.00 0.00 41.12 40.49 2whj n ASP 89 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2whj n ALA 90 N -1.73 2.82 -1.69 2.24 0.00 -1.26 -4.71 120.51 116.17 2whj n ALA 90 Ca 0.05 -1.40 -0.54 0.00 0.00 0.00 0.00 53.44 51.54 2whj n ALA 90 Cb 0.35 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 2whj n ALA 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2whj n THR 91 N 1.27 0.36 -0.94 0.00 -1.04 -1.08 -1.28 114.28 111.56 2whj n THR 91 Ca 0.24 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2whj n THR 91 Cb 0.76 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 2whj n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2whj n GLY 92 N 4.13 0.76 3.70 3.41 0.00 0.14 -4.96 105.19 112.37 2whj n GLY 92 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 2whj n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2whj s ARG 93 N -0.18 4.35 0.46 1.61 1.81 -0.41 -3.24 118.95 123.36 2whj s ARG 93 Ca 0.00 0.67 0.26 0.00 -1.72 0.00 0.00 55.73 54.93 2whj s ARG 93 Cb 0.00 -3.48 0.84 0.00 -0.45 0.00 0.00 34.95 31.86 2whj s ARG 93 CO 0.00 0.02 1.79 -0.44 -0.68 0.00 0.00 175.30 175.99 2whj h ASP 94 N 6.92 0.00 -2.22 0.23 3.32 -1.90 0.26 116.42 123.03 2whj h ASP 94 Ca -0.39 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.08 2whj h ASP 94 Cb 1.18 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.77 2whj h ASP 94 CO 0.76 0.14 0.97 -0.24 -1.72 0.00 0.00 179.24 179.14 2whj n SER 95 N -3.22 3.39 0.18 6.45 2.88 -1.26 -4.84 113.62 117.20 2whj n SER 95 Ca 0.01 1.02 0.03 0.00 -1.33 0.00 0.00 58.87 58.60 2whj n SER 95 Cb 0.45 -1.43 0.33 0.00 -0.75 0.00 0.00 64.21 62.81 2whj n SER 95 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2whj h ARG 96 N 7.63 0.00 -0.78 -1.46 2.47 -2.00 -2.61 114.38 117.63 2whj h ARG 96 Ca -0.47 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.31 2whj h ARG 96 Cb 1.26 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.52 2whj h ARG 96 CO 0.92 0.43 0.47 0.77 0.56 0.00 0.00 179.97 183.11 2whj h SER 97 N 0.00 0.72 -0.43 7.04 0.02 -1.98 0.30 113.55 119.22 2whj h SER 97 Ca -0.00 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 2whj h SER 97 Cb 0.80 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2whj h SER 97 CO 0.06 0.47 -0.29 0.44 -1.14 0.00 0.00 176.83 176.36 2whj h ASP 98 N 0.86 1.01 -0.35 3.07 3.32 -1.86 -1.26 116.42 121.21 2whj h ASP 98 Ca 0.34 -0.43 0.02 0.00 0.02 0.00 0.00 57.03 56.98 2whj h ASP 98 Cb 0.17 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2whj h ASP 98 CO -0.17 1.22 0.20 0.25 -1.72 0.00 0.00 179.24 179.02 2whj h LEU 99 N 0.80 0.32 -1.44 1.55 5.85 -1.22 -2.88 115.31 118.28 2whj h LEU 99 Ca 0.09 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2whj h LEU 99 Cb 0.88 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2whj h LEU 99 CO 0.08 0.23 0.24 0.78 -0.34 0.00 0.00 178.44 179.43 2whj h ASN 100 N 0.41 0.54 -0.68 1.25 -0.26 -0.05 -1.00 115.58 115.79 2whj h ASN 100 Ca 0.14 -0.04 -0.05 0.00 -0.56 0.00 0.00 56.30 55.80 2whj h ASN 100 Cb 0.01 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.10 2whj h ASN 100 CO -0.07 0.45 0.26 -0.09 -1.06 0.00 0.00 177.43 176.92 2whj h ARG 101 N 0.62 1.05 -0.37 0.81 2.43 -1.08 0.74 114.38 118.58 2whj h ARG 101 Ca 0.16 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 2whj h ARG 101 Cb 0.03 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2whj h ARG 101 CO -0.03 0.87 0.03 0.00 -1.51 0.00 0.00 179.97 179.34 2whj h ALA 102 N 1.25 0.49 -0.33 2.80 0.00 -1.10 -0.72 119.26 121.66 2whj h ALA 102 Ca 0.23 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2whj h ALA 102 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2whj h ALA 102 CO -0.02 0.23 0.19 0.28 0.00 0.00 0.00 179.25 179.94 2whj h VAL 103 N 0.46 1.12 -0.83 0.00 2.07 -1.02 -2.04 116.25 116.01 2whj h VAL 103 Ca 0.11 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.35 2whj h VAL 103 Cb 0.41 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2whj h VAL 103 CO 0.01 0.12 0.55 0.44 0.02 0.00 0.00 177.57 178.71 2whj h ASP 104 N 0.42 0.93 -0.18 0.57 3.32 -0.77 -1.97 116.42 118.74 2whj h ASP 104 Ca 0.12 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2whj h ASP 104 Cb 0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2whj h ASP 104 CO -0.02 0.67 0.12 0.22 -1.72 0.00 0.00 179.24 178.51 2whj h TYR 105 N 1.10 0.23 -0.86 4.55 3.20 -0.70 0.16 116.97 124.65 2whj h TYR 105 Ca 0.31 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 2whj h TYR 105 Cb -0.09 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 2whj h TYR 105 CO -0.00 0.15 0.52 -1.49 -1.64 0.00 0.00 178.16 175.70 2whj h TRP 106 N 0.24 1.13 -0.35 -3.82 -0.00 -0.95 0.51 115.95 112.70 2whj h TRP 106 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 58.89 58.86 2whj h TRP 106 Cb -0.02 -0.37 -0.01 0.00 -0.00 0.00 0.00 29.16 28.76 2whj h TRP 106 CO -0.06 0.74 -0.14 0.82 -0.00 0.00 0.00 178.44 179.80 2whj h ILE 107 N 1.18 1.28 -0.86 1.49 2.04 -1.16 -1.38 117.51 120.11 2whj h ILE 107 Ca 0.31 -1.25 0.07 0.00 1.00 0.00 0.00 64.86 64.99 2whj h ILE 107 Cb -0.06 1.35 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 2whj h ILE 107 CO -0.06 0.41 0.52 -0.08 0.00 0.00 0.00 178.15 178.95 2whj h GLU 108 N 0.50 0.90 -0.56 2.37 4.81 -0.01 -2.39 114.58 120.20 2whj h GLU 108 Ca 0.08 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2whj h GLU 108 Cb 0.68 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2whj h GLU 108 CO 0.05 0.60 0.00 -1.33 -0.73 0.00 0.00 179.01 177.59 2whj n MET 109 N -4.65 2.56 -0.15 1.92 2.81 0.11 -4.57 117.12 115.15 2whj n MET 109 Ca 0.13 -1.77 0.14 0.00 -1.81 0.00 0.00 57.70 54.39 2whj n MET 109 Cb 0.21 -1.59 0.49 0.00 -0.71 0.00 0.00 33.22 31.63 2whj n MET 109 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2whj h LYS 110 N 2.61 0.43 0.00 0.03 2.10 -0.71 -0.80 116.57 120.22 2whj h LYS 110 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2whj h LYS 110 Cb 0.91 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 2whj h LYS 110 CO 0.11 0.29 0.00 -0.44 -2.00 0.00 0.00 179.45 177.41 2whj h ASP 111 N 0.44 0.00 1.40 7.07 3.45 -1.84 0.13 116.42 127.06 2whj h ASP 111 Ca 0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.81 2whj h ASP 111 Cb 0.73 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.50 2whj h ASP 111 CO -0.11 0.00 -0.11 0.00 -1.57 0.00 0.00 179.24 177.45 2whj h ALA 112 N 2.01 0.93 0.00 3.45 0.00 -1.50 -3.38 119.26 120.77 2whj h ALA 112 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2whj h ALA 112 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2whj h ALA 112 CO 0.00 0.00 -1.71 1.28 0.00 0.00 0.00 179.25 178.82 2whj n LEU 113 N -2.27 2.84 -4.73 0.00 4.77 -0.31 -4.85 117.00 112.46 2whj n LEU 113 Ca 0.05 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 2whj n LEU 113 Cb 0.44 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2whj n LEU 113 CO 0.31 0.69 1.24 -0.63 -1.33 0.00 0.00 177.39 177.68 2whj s ILE 114 N -2.25 2.44 0.00 -0.08 1.01 0.29 -1.71 121.20 120.90 2whj s ILE 114 Ca -0.16 0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2whj s ILE 114 Cb 0.04 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2whj s ILE 114 CO 0.30 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.88 2whj n GLY 115 N 3.43 0.30 0.75 6.18 0.00 -1.26 -4.91 105.19 109.68 2whj n GLY 115 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 2whj n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2whj n LYS 116 N -2.00 1.75 0.17 1.61 4.76 -0.69 -4.73 118.16 119.03 2whj n LYS 116 Ca 0.00 -3.12 0.13 0.00 -2.87 0.00 0.00 58.31 52.46 2whj n LYS 116 Cb 0.00 -1.69 0.57 0.00 -1.84 0.00 0.00 35.03 32.07 2whj n LYS 116 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2whj h GLU 117 N 0.92 0.00 -0.01 1.97 3.07 -1.79 0.05 114.58 118.80 2whj h GLU 117 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 2whj h GLU 117 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 2whj h GLU 117 CO 0.16 0.00 -0.33 -0.40 -1.40 0.00 0.00 179.01 177.04 2whj n ASP 118 N -2.44 0.96 0.00 1.42 5.75 -1.25 -1.73 116.55 119.27 2whj n ASP 118 Ca 0.01 -0.79 0.00 0.00 -0.01 0.00 0.00 54.79 54.00 2whj n ASP 118 Cb 0.21 0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 2whj n ASP 118 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2whj n THR 119 N -0.81 0.00 -4.52 2.12 -2.24 -0.86 -4.75 114.28 103.22 2whj n THR 119 Ca 0.11 -0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.42 2whj n THR 119 Cb 0.35 1.00 -0.16 0.00 -2.10 0.00 0.00 70.33 69.43 2whj n THR 119 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2whj s VAL 120 N -0.47 0.98 -0.07 2.28 1.01 -0.05 -1.34 120.40 122.73 2whj s VAL 120 Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.57 2whj s VAL 120 Cb 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 2whj s VAL 120 CO 0.00 0.30 -0.24 -0.63 0.00 0.00 0.00 175.10 174.53 2whj s ILE 121 N 0.17 1.98 -0.35 2.22 1.01 -0.02 -4.63 121.20 121.57 2whj s ILE 121 Ca -0.04 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.47 2whj s ILE 121 Cb -0.10 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 2whj s ILE 121 CO 0.01 0.55 0.28 -0.63 0.00 0.00 0.00 174.94 175.15 2whj s ILE 122 N 0.02 5.25 -0.47 2.92 1.01 -0.84 -1.15 121.20 127.94 2whj s ILE 122 Ca -0.08 -0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.17 2whj s ILE 122 Cb -0.15 -3.78 0.05 0.00 0.01 0.00 0.00 42.46 38.59 2whj s ILE 122 CO 0.05 -0.08 0.55 0.21 0.00 0.00 0.00 174.94 175.67 2whj s ASN 123 N 1.72 6.22 0.14 3.58 3.04 0.19 0.16 114.94 130.00 2whj s ASN 123 Ca 0.07 -0.82 -0.19 0.00 0.04 0.00 0.00 52.86 51.96 2whj s ASN 123 Cb -0.17 -2.26 0.02 0.00 -1.54 0.00 0.00 41.25 37.29 2whj s ASN 123 CO 0.11 -0.77 1.70 0.40 -3.04 0.00 0.00 177.10 175.50 2whj h ILE 124 N 5.82 0.74 -2.29 -5.21 2.04 -1.59 -3.29 117.51 113.73 2whj h ILE 124 Ca -0.27 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2whj h ILE 124 Cb 1.10 0.72 -0.24 0.00 -0.74 0.00 0.00 36.82 37.66 2whj h ILE 124 CO 0.90 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 178.87 2whj s ALA 125 N -6.20 -1.53 -0.04 1.87 0.00 -1.26 -4.13 121.76 110.46 2whj s ALA 125 Ca -0.13 1.96 -0.33 0.00 0.00 0.00 0.00 51.96 53.46 2whj s ALA 125 Cb 0.12 -1.35 -0.11 0.00 0.00 0.00 0.00 23.12 21.78 2whj s ALA 125 CO 0.69 -0.56 1.89 -1.71 0.00 0.00 0.00 175.76 176.08 2whj n ASN 126 N 4.80 3.63 -3.41 0.00 5.15 0.18 -3.53 115.26 122.08 2whj n ASN 126 Ca -0.16 0.96 -0.25 0.00 -0.60 0.00 0.00 54.58 54.53 2whj n ASN 126 Cb 0.54 -1.42 0.01 0.00 -0.53 0.00 0.00 39.78 38.37 2whj n ASN 126 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2whj n GLU 127 N 6.69 -3.93 -2.16 1.20 1.02 -1.26 -3.22 120.64 118.98 2whj n GLU 127 Ca 0.22 0.56 -0.41 0.00 -0.02 0.00 0.00 57.16 57.51 2whj n GLU 127 Cb 0.32 -5.32 -0.03 0.00 -0.02 0.00 0.00 31.44 26.40 2whj n GLU 127 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2whj s TRP 128 N -3.03 3.15 0.00 -0.32 -0.00 -1.23 0.25 118.94 117.75 2whj s TRP 128 Ca 0.43 1.34 0.00 0.00 -0.00 0.00 0.00 56.10 57.87 2whj s TRP 128 Cb -0.22 -3.64 0.00 0.00 -0.00 0.00 0.00 33.47 29.60 2whj s TRP 128 CO 0.53 -1.86 0.00 0.98 -0.00 0.00 0.00 176.95 176.61 2whj n TYR 129 N 1.52 0.00 0.10 5.86 9.36 0.92 -4.57 117.16 130.34 2whj n TYR 129 Ca 0.02 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.22 2whj n TYR 129 Cb 0.42 -1.32 -0.05 0.00 -0.63 0.00 0.00 39.34 37.76 2whj n TYR 129 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2whj h GLY 130 N 0.00 0.00 -1.53 2.98 0.00 -1.64 -0.64 103.07 102.24 2whj h GLY 130 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 2whj h GLY 130 CO 0.00 0.00 0.35 -0.56 0.00 0.00 0.00 176.54 176.33 2whj s SER 131 N -6.52 4.97 -0.82 0.19 0.01 -1.26 -3.66 113.70 106.62 2whj s SER 131 Ca 0.02 1.88 -0.03 0.00 1.31 0.00 0.00 55.95 59.14 2whj s SER 131 Cb 0.09 -2.53 0.25 0.00 0.21 0.00 0.00 66.02 64.03 2whj s SER 131 CO 0.78 -1.72 2.23 0.79 0.41 0.00 0.00 173.24 175.73 2whj n TRP 132 N -2.85 2.53 -4.37 2.43 7.02 -1.26 -2.97 117.44 117.97 2whj n TRP 132 Ca 0.09 -2.31 -0.20 0.00 -1.02 0.00 0.00 57.50 54.07 2whj n TRP 132 Cb 0.53 -1.30 -0.09 0.00 -2.42 0.00 0.00 31.31 28.02 2whj n TRP 132 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 2whj s ASP 133 N -0.60 1.78 -0.06 -0.99 1.47 -1.26 -5.02 116.67 111.99 2whj s ASP 133 Ca 0.52 -1.54 0.03 0.00 1.18 0.00 0.00 52.55 52.73 2whj s ASP 133 Cb 0.36 0.34 -0.05 0.00 -0.34 0.00 0.00 42.92 43.22 2whj s ASP 133 CO -0.29 -0.85 -0.02 0.61 0.68 0.00 0.00 175.17 175.30 2whj n GLY 134 N -0.63 -0.18 0.21 2.12 0.00 -1.26 -4.54 105.19 100.91 2whj n GLY 134 Ca -0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 2whj n GLY 134 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2whj h SER 135 N 0.00 0.68 0.33 1.61 0.87 -1.99 0.65 113.55 115.70 2whj h SER 135 Ca -0.14 -0.36 -0.15 0.00 -1.23 0.00 0.00 61.79 59.90 2whj h SER 135 Cb 1.27 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 2whj h SER 135 CO -0.01 0.88 -0.63 0.00 -0.53 0.00 0.00 176.83 176.55 2whj h ALA 136 N 0.82 0.79 0.09 6.23 0.00 -2.00 -0.64 119.26 124.55 2whj h ALA 136 Ca 0.09 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.45 2whj h ALA 136 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2whj h ALA 136 CO 0.03 0.74 -0.10 2.35 0.00 0.00 0.00 179.25 182.28 2whj h TRP 137 N 0.21 -0.25 -0.69 0.00 7.01 -1.77 -2.75 115.95 117.71 2whj h TRP 137 Ca -0.01 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.01 2whj h TRP 137 Cb 1.15 0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 28.27 2whj h TRP 137 CO 0.03 -0.15 0.44 0.00 -2.79 0.00 0.00 178.44 175.97 2whj h ALA 138 N 0.69 0.89 -0.99 2.65 0.00 -0.60 -2.30 119.26 119.59 2whj h ALA 138 Ca 0.01 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.03 2whj h ALA 138 Cb 0.21 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.66 2whj h ALA 138 CO -0.04 0.25 0.62 -0.44 0.00 0.00 0.00 179.25 179.64 2whj h ASP 139 N 0.89 0.83 -0.03 0.00 3.32 -1.00 0.14 116.42 120.58 2whj h ASP 139 Ca 0.26 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 2whj h ASP 139 Cb -0.05 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 2whj h ASP 139 CO -0.08 0.39 0.01 1.23 -1.72 0.00 0.00 179.24 179.08 2whj h GLY 140 N 0.86 0.04 1.53 2.75 0.00 -1.12 -2.05 103.07 105.08 2whj h GLY 140 Ca 0.52 -0.02 -0.18 0.00 0.00 0.00 0.00 47.33 47.65 2whj h GLY 140 CO -0.29 0.02 -0.66 -0.97 0.00 0.00 0.00 176.54 174.64 2whj h TYR 141 N -0.05 0.63 -0.66 5.60 0.05 -1.34 -1.64 116.97 119.55 2whj h TYR 141 Ca 0.01 -0.25 0.03 0.00 0.05 0.00 0.00 58.73 58.57 2whj h TYR 141 Cb 0.09 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.69 2whj h TYR 141 CO -0.05 1.00 0.44 0.82 -1.05 0.00 0.00 178.16 179.32 2whj h ILE 142 N 0.35 1.09 -0.05 -2.88 2.04 -0.96 -0.80 117.51 116.30 2whj h ILE 142 Ca -0.02 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.47 2whj h ILE 142 Cb 1.22 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2whj h ILE 142 CO 0.12 0.14 -0.38 -0.78 0.00 0.00 0.00 178.15 177.25 2whj h ASP 143 N 0.78 0.42 0.57 1.72 3.58 -0.99 -3.39 116.42 119.11 2whj h ASP 143 Ca 0.26 -0.68 -0.21 0.00 0.42 0.00 0.00 57.03 56.82 2whj h ASP 143 Cb 0.08 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 40.97 2whj h ASP 143 CO -0.07 1.04 -1.59 1.33 -2.88 0.00 0.00 179.24 177.07 2whj n VAL 144 N -4.38 1.26 -0.10 2.25 0.24 -0.65 -4.24 118.33 112.71 2whj n VAL 144 Ca -0.09 -0.72 -0.06 0.00 -2.04 0.00 0.00 64.34 61.43 2whj n VAL 144 Cb 0.54 -0.76 0.02 0.00 -1.47 0.00 0.00 33.84 32.16 2whj n VAL 144 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2whj h ILE 145 N 0.00 0.81 -0.61 1.34 2.04 -1.35 -1.32 117.51 118.42 2whj h ILE 145 Ca -0.22 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 65.68 2whj h ILE 145 Cb 1.72 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 2whj h ILE 145 CO 0.05 0.03 0.41 -0.65 0.00 0.00 0.00 178.15 177.99 2whj h PRO 146 N 0.17 0.42 -0.58 2.37 0.11 -1.78 -1.47 132.00 131.25 2whj h PRO 146 Ca 0.17 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 2whj h PRO 146 Cb 0.20 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 2whj h PRO 146 CO -0.23 0.28 0.21 0.87 -0.21 0.00 0.00 178.00 178.91 2whj h LYS 147 N 0.43 0.89 -0.36 1.05 1.57 -1.44 0.59 116.57 119.29 2whj h LYS 147 Ca 0.28 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2whj h LYS 147 Cb 0.54 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2whj h LYS 147 CO -0.08 0.78 0.21 -0.07 -0.57 0.00 0.00 179.45 179.72 2whj h LEU 148 N 0.81 0.34 -0.32 2.94 3.38 -0.88 -1.69 115.31 119.89 2whj h LEU 148 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2whj h LEU 148 Cb 0.24 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2whj h LEU 148 CO -0.01 0.24 0.19 0.03 0.09 0.00 0.00 178.44 178.98 2whj h ARG 149 N 0.43 0.43 0.00 1.13 2.47 -0.97 -2.33 114.38 115.54 2whj h ARG 149 Ca 0.14 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 2whj h ARG 149 Cb 0.01 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 2whj h ARG 149 CO -0.07 0.33 0.00 -0.44 0.56 0.00 0.00 179.97 180.35 2whj h ASP 150 N 0.41 0.00 0.90 7.04 3.32 -0.69 0.12 116.42 127.52 2whj h ASP 150 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2whj h ASP 150 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2whj h ASP 150 CO -0.02 0.00 -0.02 0.00 -1.72 0.00 0.00 179.24 177.48 2whj n ALA 151 N -2.04 2.41 0.00 3.45 0.00 -0.65 -4.91 120.51 118.76 2whj n ALA 151 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2whj n ALA 151 Cb 0.24 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2whj n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2whj n GLY 152 N 1.46 1.14 3.56 0.00 0.00 0.43 -5.07 105.19 106.71 2whj n GLY 152 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2whj n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2whj s LEU 153 N 0.00 4.34 0.00 0.99 1.43 -0.90 -4.91 118.68 119.63 2whj s LEU 153 Ca 0.00 -0.01 0.12 0.00 -1.03 0.00 0.00 54.13 53.21 2whj s LEU 153 Cb 0.00 -2.65 0.35 0.00 0.03 0.00 0.00 46.19 43.92 2whj s LEU 153 CO 0.00 -0.53 1.29 0.35 0.23 0.00 0.00 176.35 177.68 2whj n THR 154 N 5.49 0.98 -1.10 5.49 -2.24 -1.26 -4.17 114.28 117.47 2whj n THR 154 Ca -0.04 -0.99 -0.33 0.00 -2.27 0.00 0.00 64.05 60.42 2whj n THR 154 Cb 0.49 0.52 0.13 0.00 -2.10 0.00 0.00 70.33 69.36 2whj n THR 154 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2whj n HIS 155 N 0.67 1.30 -1.73 4.78 8.25 -1.26 -4.93 115.22 122.30 2whj n HIS 155 Ca 0.13 0.41 -0.42 0.00 -0.26 0.00 0.00 57.72 57.58 2whj n HIS 155 Cb 0.45 -2.11 -0.02 0.00 1.12 0.00 0.00 29.99 29.43 2whj n HIS 155 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2whj n THR 156 N -3.32 0.49 -3.91 1.59 -1.04 -1.26 -4.90 114.28 101.93 2whj n THR 156 Ca 0.14 -0.12 -0.34 0.00 -2.04 0.00 0.00 64.05 61.69 2whj n THR 156 Cb 0.50 -1.96 -0.05 0.00 -1.82 0.00 0.00 70.33 67.00 2whj n THR 156 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2whj s LEU 157 N 0.38 4.35 -0.10 -4.42 1.43 -0.71 -1.99 118.68 117.61 2whj s LEU 157 Ca 0.70 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 54.18 2whj s LEU 157 Cb -0.51 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.19 2whj s LEU 157 CO 0.40 0.28 -0.21 -0.32 0.23 0.00 0.00 176.35 176.73 2whj s MET 158 N -1.82 2.79 -0.18 1.70 -2.45 0.12 -0.60 119.30 118.86 2whj s MET 158 Ca 0.26 -0.79 0.00 0.00 -1.25 0.00 0.00 55.69 53.91 2whj s MET 158 Cb -0.13 -2.15 0.01 0.00 1.25 0.00 0.00 34.83 33.82 2whj s MET 158 CO 0.17 0.12 -0.17 0.08 1.05 0.00 0.00 175.02 176.27 2whj s VAL 159 N 0.47 2.33 0.30 10.11 1.01 -0.04 -1.66 120.40 132.91 2whj s VAL 159 Ca -0.16 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 2whj s VAL 159 Cb -0.17 -1.99 -0.09 0.00 0.00 0.00 0.00 36.38 34.12 2whj s VAL 159 CO 0.07 0.52 1.07 -1.81 0.00 0.00 0.00 175.10 174.94 2whj s ASP 160 N 1.26 7.22 0.84 3.32 1.11 -1.26 -1.14 116.67 128.03 2whj s ASP 160 Ca 0.04 2.18 -0.14 0.00 0.18 0.00 0.00 52.55 54.81 2whj s ASP 160 Cb -0.14 -2.62 -0.00 0.00 1.07 0.00 0.00 42.92 41.24 2whj s ASP 160 CO -0.10 -0.17 0.46 0.00 1.18 0.00 0.00 175.17 176.54 2whj n ALA 161 N 0.99 -2.09 -1.06 5.23 0.00 0.28 -4.82 120.51 119.04 2whj n ALA 161 Ca -0.00 -0.43 -0.19 0.00 0.00 0.00 0.00 53.44 52.82 2whj n ALA 161 Cb 0.46 -1.82 0.25 0.00 0.00 0.00 0.00 19.45 18.34 2whj n ALA 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2whj n ALA 162 N -2.99 -3.37 -2.91 0.00 0.00 -1.25 -2.48 120.51 107.50 2whj n ALA 162 Ca 0.08 -1.60 -0.11 0.00 0.00 0.00 0.00 53.44 51.81 2whj n ALA 162 Cb 0.52 -0.11 0.03 0.00 0.00 0.00 0.00 19.45 19.89 2whj n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2whj n GLY 163 N -4.62 0.21 3.81 0.00 0.00 -0.25 -1.16 105.19 103.17 2whj n GLY 163 Ca 0.15 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 2whj n GLY 163 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2whj n TRP 164 N -3.74 -2.47 -0.27 1.61 7.02 -1.23 -1.58 117.44 116.77 2whj n TRP 164 Ca -0.01 0.94 0.00 0.00 -1.02 0.00 0.00 57.50 57.41 2whj n TRP 164 Cb 0.54 -4.34 0.00 0.00 -2.42 0.00 0.00 31.31 25.09 2whj n TRP 164 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2whj n GLY 165 N -1.78 2.41 0.96 6.99 0.00 -0.95 -4.80 105.19 108.03 2whj n GLY 165 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 2whj n GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2whj n GLN 166 N -2.00 3.04 -3.38 1.61 6.02 -0.62 -0.87 117.38 121.19 2whj n GLN 166 Ca 0.00 -2.45 -0.30 0.00 -0.01 0.00 0.00 57.00 54.24 2whj n GLN 166 Cb 0.00 -1.54 -0.07 0.00 1.02 0.00 0.00 30.24 29.65 2whj n GLN 166 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2whj n TYR 167 N 0.57 3.42 0.36 1.08 9.36 -0.31 -4.40 117.16 127.25 2whj n TYR 167 Ca 0.18 -3.90 0.11 0.00 3.32 0.00 0.00 57.90 57.61 2whj n TYR 167 Cb 0.63 -0.70 0.46 0.00 -0.63 0.00 0.00 39.34 39.10 2whj n TYR 167 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2whj n PRO 168 N 1.03 0.15 0.08 2.98 -0.04 -1.26 -1.77 135.00 136.17 2whj n PRO 168 Ca 0.28 0.43 0.17 0.00 -0.04 0.00 0.00 63.50 64.35 2whj n PRO 168 Cb 0.39 -1.82 0.69 0.00 -0.04 0.00 0.00 33.50 32.73 2whj n PRO 168 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2whj h GLN 169 N 0.00 0.00 -0.44 0.54 4.15 -1.95 -1.12 115.11 116.29 2whj h GLN 169 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 2whj h GLN 169 Cb 0.28 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.90 2whj h GLN 169 CO 0.00 0.00 0.04 0.66 -1.93 0.00 0.00 178.83 177.60 2whj h SER 170 N 0.00 -0.09 -0.32 -0.69 4.64 -1.67 0.24 113.55 115.65 2whj h SER 170 Ca 0.18 0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 2whj h SER 170 Cb 0.74 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 2whj h SER 170 CO -0.00 -0.01 -0.21 0.40 -0.87 0.00 0.00 176.83 176.14 2whj h ILE 171 N 0.16 1.29 -0.09 0.95 2.04 -1.43 0.12 117.51 120.56 2whj h ILE 171 Ca 0.22 -1.34 0.03 0.00 1.00 0.00 0.00 64.86 64.77 2whj h ILE 171 Cb 0.30 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2whj h ILE 171 CO -0.33 0.43 -0.09 -0.74 0.00 0.00 0.00 178.15 177.42 2whj h HIS 172 N 0.46 -0.23 -0.35 1.37 2.76 -0.89 0.13 115.15 118.40 2whj h HIS 172 Ca 0.06 0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.09 2whj h HIS 172 Cb 0.76 0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.83 2whj h HIS 172 CO 0.06 -0.15 -0.39 -0.44 -1.30 0.00 0.00 177.93 175.72 2whj h ASP 173 N -0.12 0.95 0.00 3.26 3.32 -0.93 -3.39 116.42 119.52 2whj h ASP 173 Ca 0.07 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2whj h ASP 173 Cb 0.22 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2whj h ASP 173 CO -0.16 1.24 0.00 -1.22 -1.72 0.00 0.00 179.24 177.37 2whj n TYR 174 N -4.09 0.00 -0.25 4.55 4.01 0.02 -4.79 117.16 116.60 2whj n TYR 174 Ca -0.03 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.72 2whj n TYR 174 Cb 0.54 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.71 2whj n TYR 174 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2whj h GLY 175 N 0.00 1.10 0.89 2.72 0.00 -0.76 -1.14 103.07 105.88 2whj h GLY 175 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.11 2whj h GLY 175 CO 0.00 0.11 0.59 -1.61 0.00 0.00 0.00 176.54 175.63 2whj h GLN 176 N 0.68 1.12 -0.72 4.80 5.75 -1.85 0.14 115.11 125.03 2whj h GLN 176 Ca 0.35 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.75 2whj h GLN 176 Cb 0.31 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 2whj h GLN 176 CO -0.24 0.74 0.35 -0.44 -2.65 0.00 0.00 178.83 176.59 2whj h ASP 177 N 1.16 0.93 -0.16 -0.69 3.32 -1.58 0.15 116.42 119.55 2whj h ASP 177 Ca 0.36 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 2whj h ASP 177 Cb -0.01 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 2whj h ASP 177 CO -0.11 0.79 -0.14 0.58 -1.72 0.00 0.00 179.24 178.64 2whj h VAL 178 N 1.03 1.34 -0.53 -1.35 2.07 -0.56 -2.66 116.25 115.59 2whj h VAL 178 Ca 0.25 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.54 2whj h VAL 178 Cb 0.11 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 2whj h VAL 178 CO -0.03 0.38 0.25 0.15 0.02 0.00 0.00 177.57 178.34 2whj h PHE 179 N 0.02 0.46 0.00 1.57 3.57 -0.38 -2.08 116.94 120.10 2whj h PHE 179 Ca 0.03 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2whj h PHE 179 Cb 0.66 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 2whj h PHE 179 CO 0.08 0.21 -0.13 -0.91 -2.23 0.00 0.00 178.31 175.32 2whj h ASN 180 N 0.48 0.00 0.86 0.41 2.35 -0.60 -1.03 115.58 118.06 2whj h ASN 180 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2whj h ASN 180 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2whj h ASN 180 CO -0.18 0.13 0.00 0.00 -1.65 0.00 0.00 177.43 175.73 2whj n ALA 181 N -2.44 1.97 -2.60 -0.83 0.00 -0.79 -4.63 120.51 111.19 2whj n ALA 181 Ca -0.02 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.95 2whj n ALA 181 Cb 0.21 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 2whj n ALA 181 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2whj s ASP 182 N -3.48 6.68 0.50 0.00 -1.08 -0.39 -4.44 116.67 114.46 2whj s ASP 182 Ca 0.09 0.55 0.34 0.00 -0.52 0.00 0.00 52.55 53.02 2whj s ASP 182 Cb 0.13 -2.48 1.69 0.00 -1.46 0.00 0.00 42.92 40.80 2whj s ASP 182 CO 0.43 -0.92 2.03 1.55 0.52 0.00 0.00 175.17 178.77 2whj h PRO 183 N 8.59 0.00 -0.01 4.34 0.13 -1.86 -0.25 132.00 142.94 2whj h PRO 183 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2whj h PRO 183 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2whj h PRO 183 CO 1.01 0.00 -0.24 1.28 -0.23 0.00 0.00 178.00 179.82 2whj n LEU 184 N -2.78 1.67 -3.82 1.56 4.77 -1.26 -4.98 117.00 112.15 2whj n LEU 184 Ca -0.01 -0.55 -0.25 0.00 -0.03 0.00 0.00 56.01 55.17 2whj n LEU 184 Cb 0.14 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 2whj n LEU 184 CO 0.19 0.30 -0.07 0.29 -1.33 0.00 0.00 177.39 176.78 2whj n LYS 185 N -0.05 -4.62 -3.09 3.23 4.76 -0.11 -4.90 118.16 113.38 2whj n LYS 185 Ca 0.13 0.56 -0.17 0.00 -2.87 0.00 0.00 58.31 55.95 2whj n LYS 185 Cb 0.42 -5.10 -0.02 0.00 -1.84 0.00 0.00 35.03 28.49 2whj n LYS 185 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2whj n ASN 186 N -2.98 -0.05 -3.99 4.39 5.15 -1.26 -4.66 115.26 111.86 2whj n ASN 186 Ca -0.22 -3.07 -0.21 0.00 -0.60 0.00 0.00 54.58 50.49 2whj n ASN 186 Cb 0.64 -0.07 -0.16 0.00 -0.53 0.00 0.00 39.78 39.66 2whj n ASN 186 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2whj s THR 187 N -1.53 0.79 0.42 -0.44 2.01 -1.26 -1.74 115.64 113.88 2whj s THR 187 Ca 0.36 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 62.05 2whj s THR 187 Cb 0.29 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 72.04 2whj s THR 187 CO -0.09 0.25 0.03 0.00 -0.69 0.00 0.00 174.62 174.12 2whj s MET 188 N 0.31 1.95 0.24 4.92 0.23 0.23 -4.69 119.30 122.48 2whj s MET 188 Ca -0.05 -2.15 0.08 0.00 -1.03 0.00 0.00 55.69 52.54 2whj s MET 188 Cb -0.10 -1.32 -0.05 0.00 -1.53 0.00 0.00 34.83 31.84 2whj s MET 188 CO 0.01 -0.21 -0.14 -0.06 -2.03 0.00 0.00 175.02 172.58 2whj s PHE 189 N -2.94 1.89 -0.00 3.16 0.40 -0.28 -0.86 117.98 119.33 2whj s PHE 189 Ca 0.26 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 2whj s PHE 189 Cb 0.07 -0.90 -0.00 0.00 0.51 0.00 0.00 43.02 42.69 2whj s PHE 189 CO 0.13 0.43 -0.02 0.45 0.70 0.00 0.00 175.22 176.90 2whj s SER 190 N -3.39 0.29 -0.03 1.36 0.15 -0.29 -1.11 113.70 110.69 2whj s SER 190 Ca 0.25 -0.04 0.06 0.00 0.70 0.00 0.00 55.95 56.92 2whj s SER 190 Cb -0.01 -0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 2whj s SER 190 CO 0.10 0.03 -0.19 -0.63 1.20 0.00 0.00 173.24 173.74 2whj s ILE 191 N -0.05 2.64 -0.33 6.45 1.01 -0.65 -0.56 121.20 129.72 2whj s ILE 191 Ca 0.01 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 2whj s ILE 191 Cb -0.01 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 2whj s ILE 191 CO -0.00 0.56 0.19 -1.00 0.00 0.00 0.00 174.94 174.69 2whj s HIS 192 N -0.70 3.20 -0.71 3.97 3.76 -0.05 -1.79 115.29 122.98 2whj s HIS 192 Ca 0.11 -0.50 -0.13 0.00 -0.15 0.00 0.00 55.06 54.39 2whj s HIS 192 Cb -0.10 -2.41 0.18 0.00 1.11 0.00 0.00 32.58 31.36 2whj s HIS 192 CO 0.00 -0.45 0.64 -1.64 -0.85 0.00 0.00 174.74 172.44 2whj s MET 193 N 1.64 3.26 0.00 1.40 -1.94 0.16 -4.20 119.30 119.62 2whj s MET 193 Ca 0.05 -2.23 0.00 0.00 -1.71 0.00 0.00 55.69 51.80 2whj s MET 193 Cb -0.17 -4.29 0.00 0.00 2.01 0.00 0.00 34.83 32.38 2whj s MET 193 CO 0.08 -1.28 0.00 0.66 -0.01 0.00 0.00 175.02 174.46 2whj n TYR 194 N 4.32 0.00 0.40 -0.03 4.01 -1.26 -2.57 117.16 122.02 2whj n TYR 194 Ca 0.05 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.92 2whj n TYR 194 Cb 0.44 0.00 0.42 0.00 -0.31 0.00 0.00 39.34 39.89 2whj n TYR 194 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2whj h GLU 195 N 0.00 0.00 0.07 -0.72 5.08 -1.89 -0.31 114.58 116.81 2whj h GLU 195 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 2whj h GLU 195 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2whj h GLU 195 CO 0.00 0.00 -2.06 0.66 -1.00 0.00 0.00 179.01 176.61 2whj n TYR 196 N -2.65 0.88 0.78 4.33 4.01 -1.26 -3.92 117.16 119.34 2whj n TYR 196 Ca 0.03 0.22 0.08 0.00 -0.16 0.00 0.00 57.90 58.07 2whj n TYR 196 Cb 0.39 -1.13 -0.05 0.00 -0.31 0.00 0.00 39.34 38.25 2whj n TYR 196 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2whj n ALA 197 N -2.93 3.69 -2.53 -0.72 0.00 -1.21 -4.58 120.51 112.22 2whj n ALA 197 Ca -0.31 -0.52 0.04 0.00 0.00 0.00 0.00 53.44 52.64 2whj n ALA 197 Cb 1.05 -0.61 0.02 0.00 0.00 0.00 0.00 19.45 19.91 2whj n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2whj n GLY 198 N 1.30 1.12 0.22 0.00 0.00 -0.13 -4.26 105.19 103.44 2whj n GLY 198 Ca 0.05 -0.88 0.11 0.00 0.00 0.00 0.00 46.02 45.31 2whj n GLY 198 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2whj h GLY 199 N 1.18 0.00 -2.07 -0.02 0.00 -1.67 0.39 103.07 100.88 2whj h GLY 199 Ca -0.22 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 2whj h GLY 199 CO 0.11 0.00 -0.13 0.51 0.00 0.00 0.00 176.54 177.03 2whj s ASP 200 N -6.16 0.13 0.09 0.19 1.47 -1.26 -4.28 116.67 106.85 2whj s ASP 200 Ca 0.05 -1.08 -0.21 0.00 1.18 0.00 0.00 52.55 52.49 2whj s ASP 200 Cb 0.06 0.61 -0.10 0.00 -0.34 0.00 0.00 42.92 43.15 2whj s ASP 200 CO 0.66 -1.19 1.65 0.00 0.68 0.00 0.00 175.17 176.96 2whj h ALA 201 N 2.22 0.19 -0.55 2.11 0.00 -1.92 -0.89 119.26 120.41 2whj h ALA 201 Ca -0.27 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.58 2whj h ALA 201 Cb 1.25 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2whj h ALA 201 CO 0.37 -0.25 0.36 -0.91 0.00 0.00 0.00 179.25 178.83 2whj h ASN 202 N 0.10 0.58 -0.18 0.00 2.35 -1.99 -1.26 115.58 115.18 2whj h ASN 202 Ca 0.05 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 2whj h ASN 202 Cb 0.13 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 2whj h ASN 202 CO -0.01 0.41 -0.23 0.74 -1.65 0.00 0.00 177.43 176.70 2whj h THR 203 N 0.68 1.34 -0.02 2.81 2.02 -1.79 -1.22 112.91 116.74 2whj h THR 203 Ca 0.21 -1.42 0.03 0.00 0.77 0.00 0.00 66.41 66.00 2whj h THR 203 Cb 0.02 1.84 -0.04 0.00 -1.74 0.00 0.00 68.15 68.23 2whj h THR 203 CO -0.05 0.43 -0.16 0.58 0.37 0.00 0.00 175.52 176.68 2whj h VAL 204 N 0.13 0.59 -0.36 3.16 2.07 -0.90 -0.87 116.25 120.08 2whj h VAL 204 Ca 0.02 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 2whj h VAL 204 Cb 0.79 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2whj h VAL 204 CO 0.05 0.00 0.03 0.03 0.02 0.00 0.00 177.57 177.71 2whj h ARG 205 N -0.26 0.62 -0.53 1.57 3.08 -1.23 -1.83 114.38 115.80 2whj h ARG 205 Ca 0.06 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 2whj h ARG 205 Cb 0.34 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2whj h ARG 205 CO -0.17 0.71 0.19 0.77 -1.07 0.00 0.00 179.97 180.40 2whj h SER 206 N 0.44 0.70 0.19 7.04 0.02 -1.13 0.07 113.55 120.88 2whj h SER 206 Ca 0.11 -0.09 -0.21 0.00 -0.84 0.00 0.00 61.79 60.76 2whj h SER 206 Cb 0.41 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2whj h SER 206 CO 0.01 0.65 -0.81 0.78 -1.14 0.00 0.00 176.83 176.32 2whj h ASN 207 N 0.76 0.60 0.23 3.07 2.35 -0.99 -1.38 115.58 120.23 2whj h ASN 207 Ca 0.18 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 2whj h ASN 207 Cb 0.18 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2whj h ASN 207 CO -0.01 1.19 -0.11 0.40 -1.65 0.00 0.00 177.43 177.25 2whj h ILE 208 N 0.32 0.85 -0.98 2.81 2.04 -1.14 -3.29 117.51 118.12 2whj h ILE 208 Ca -0.05 -0.51 0.11 0.00 1.00 0.00 0.00 64.86 65.40 2whj h ILE 208 Cb 1.41 1.14 -0.08 0.00 -0.74 0.00 0.00 36.82 38.56 2whj h ILE 208 CO 0.15 0.11 0.62 0.44 0.00 0.00 0.00 178.15 179.47 2whj h ASP 209 N -0.57 0.91 0.58 1.72 3.32 -0.92 -0.96 116.42 120.50 2whj h ASP 209 Ca -0.03 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2whj h ASP 209 Cb 0.42 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 2whj h ASP 209 CO 0.05 0.51 -0.01 0.08 -1.72 0.00 0.00 179.24 178.15 2whj h ARG 210 N 0.99 0.00 0.00 3.56 0.11 -1.32 -1.19 114.38 116.54 2whj h ARG 210 Ca 0.47 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.47 2whj h ARG 210 Cb 0.42 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 2whj h ARG 210 CO -0.23 0.01 -0.77 0.28 0.10 0.00 0.00 179.97 179.37 2whj n VAL 211 N -3.13 1.46 0.21 0.08 0.31 -0.57 -4.42 118.33 112.26 2whj n VAL 211 Ca -0.01 0.13 0.09 0.00 -0.01 0.00 0.00 64.34 64.55 2whj n VAL 211 Cb 0.21 -2.28 0.38 0.00 -0.91 0.00 0.00 33.84 31.24 2whj n VAL 211 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 2whj h ILE 212 N -1.00 0.55 0.00 2.52 3.07 -1.12 -1.73 117.51 119.80 2whj h ILE 212 Ca -0.12 -1.27 0.00 0.00 1.55 0.00 0.00 64.86 65.02 2whj h ILE 212 Cb 0.77 1.88 0.00 0.00 -0.27 0.00 0.00 36.82 39.20 2whj h ILE 212 CO -0.07 0.24 0.00 0.47 -1.05 0.00 0.00 178.15 177.74 2whj n ASP 213 N -3.34 0.22 -0.40 2.16 8.00 -0.46 -1.34 116.55 121.39 2whj n ASP 213 Ca 0.01 0.53 0.10 0.00 0.71 0.00 0.00 54.79 56.13 2whj n ASP 213 Cb 0.48 -0.59 0.40 0.00 -0.02 0.00 0.00 41.12 41.39 2whj n ASP 213 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2whj n GLN 214 N -1.72 1.53 -3.58 -1.24 1.13 -0.65 -4.94 117.38 107.91 2whj n GLN 214 Ca 0.05 -0.80 -0.22 0.00 -1.94 0.00 0.00 57.00 54.10 2whj n GLN 214 Cb 0.31 -1.35 0.07 0.00 0.11 0.00 0.00 30.24 29.38 2whj n GLN 214 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2whj n ASP 215 N 0.03 -4.26 -4.32 1.08 8.00 -0.45 -4.98 116.55 111.66 2whj n ASP 215 Ca 0.15 -0.61 -0.31 0.00 0.71 0.00 0.00 54.79 54.72 2whj n ASP 215 Cb 0.25 -4.88 -0.16 0.00 -0.02 0.00 0.00 41.12 36.31 2whj n ASP 215 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2whj s LEU 216 N -6.92 2.10 0.28 0.64 1.43 -1.22 -3.59 118.68 111.40 2whj s LEU 216 Ca 0.34 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.76 2whj s LEU 216 Cb -0.15 -1.36 -0.09 0.00 0.03 0.00 0.00 46.19 44.62 2whj s LEU 216 CO 0.75 0.32 0.85 0.00 0.23 0.00 0.00 176.35 178.49 2whj s ALA 217 N -0.62 3.30 -0.00 4.21 0.00 -1.20 -4.00 121.76 123.45 2whj s ALA 217 Ca 0.10 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.42 2whj s ALA 217 Cb -0.10 -3.02 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 2whj s ALA 217 CO -0.01 0.24 -0.02 -1.17 0.00 0.00 0.00 175.76 174.80 2whj s LEU 218 N -2.06 2.01 0.06 0.00 2.96 -1.26 -1.13 118.68 119.27 2whj s LEU 218 Ca 0.47 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.41 2whj s LEU 218 Cb -0.17 -0.11 -0.03 0.00 0.50 0.00 0.00 46.19 46.38 2whj s LEU 218 CO 0.22 0.02 -0.22 0.54 -1.32 0.00 0.00 176.35 175.59 2whj s VAL 219 N -0.10 1.80 -1.01 1.68 0.11 -0.27 -2.48 120.40 120.13 2whj s VAL 219 Ca 0.00 -1.35 -0.19 0.00 -2.93 0.00 0.00 61.98 57.51 2whj s VAL 219 Cb -0.01 -1.58 0.11 0.00 -1.53 0.00 0.00 36.38 33.37 2whj s VAL 219 CO -0.00 0.17 1.30 -0.63 -3.33 0.00 0.00 175.10 172.60 2whj s ILE 220 N -0.90 4.51 -0.23 7.04 -1.09 0.55 -1.63 121.20 129.45 2whj s ILE 220 Ca 0.08 -1.52 0.29 0.00 -2.23 0.00 0.00 60.65 57.27 2whj s ILE 220 Cb -0.09 -4.90 0.34 0.00 -1.58 0.00 0.00 42.46 36.22 2whj s ILE 220 CO 0.03 -1.67 1.83 1.23 -1.23 0.00 0.00 174.94 175.12 2whj h GLY 221 N 11.11 0.00 -4.91 6.18 0.00 -1.62 0.15 103.07 113.99 2whj h GLY 221 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.38 2whj h GLY 221 CO 1.24 0.00 -0.56 -0.54 0.00 0.00 0.00 176.54 176.68 2whj s GLU 222 N -3.44 0.39 0.14 4.80 2.02 -1.23 -4.52 118.70 116.86 2whj s GLU 222 Ca 0.04 -0.38 -0.24 0.00 0.02 0.00 0.00 54.97 54.41 2whj s GLU 222 Cb 0.09 0.16 0.07 0.00 0.10 0.00 0.00 34.13 34.55 2whj s GLU 222 CO 0.53 -0.08 0.62 -0.59 0.02 0.00 0.00 175.26 175.75 2whj s PHE 223 N -1.21 -0.54 0.00 1.61 -0.71 -1.23 -0.67 117.98 115.23 2whj s PHE 223 Ca -0.13 0.40 0.00 0.00 -1.04 0.00 0.00 56.93 56.15 2whj s PHE 223 Cb -0.07 0.55 0.00 0.00 -1.21 0.00 0.00 43.02 42.28 2whj s PHE 223 CO 0.01 -0.82 0.00 0.41 -1.34 0.00 0.00 175.22 173.48 2whj n GLY 224 N -0.26 4.44 3.38 1.99 0.00 -1.06 -1.97 105.19 111.71 2whj n GLY 224 Ca -0.17 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 2whj n GLY 224 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2whj s HIS 225 N 2.18 0.46 0.34 1.61 -3.43 -1.26 -4.43 115.29 110.76 2whj s HIS 225 Ca 0.00 -0.81 -0.29 0.00 -0.80 0.00 0.00 55.06 53.16 2whj s HIS 225 Cb 0.00 -0.05 -0.10 0.00 -1.43 0.00 0.00 32.58 31.00 2whj s HIS 225 CO 0.00 -0.78 1.33 0.50 -2.00 0.00 0.00 174.74 173.80 2whj s ARG 226 N -4.00 4.32 0.20 -0.38 3.52 -0.91 -4.31 118.95 117.39 2whj s ARG 226 Ca 0.21 2.26 -0.00 0.00 -0.13 0.00 0.00 55.73 58.07 2whj s ARG 226 Cb 0.03 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 2whj s ARG 226 CO 0.03 -0.23 0.26 -2.39 -0.81 0.00 0.00 175.30 172.16 2whj n HIS 227 N 0.77 -0.92 0.12 5.12 1.44 -0.08 -4.92 115.22 116.75 2whj n HIS 227 Ca 0.00 -1.38 -0.14 0.00 -2.01 0.00 0.00 57.72 54.19 2whj n HIS 227 Cb 0.41 0.29 -0.08 0.00 0.12 0.00 0.00 29.99 30.74 2whj n HIS 227 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 2whj h THR 228 N 1.58 0.85 0.00 0.61 2.02 -2.04 -1.90 112.91 114.03 2whj h THR 228 Ca -0.15 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2whj h THR 228 Cb 0.68 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2whj h THR 228 CO 0.21 0.02 -0.02 -0.78 0.37 0.00 0.00 175.52 175.32 2whj h ASP 229 N -0.28 0.00 -4.52 4.18 1.82 -2.00 -3.47 116.42 112.16 2whj h ASP 229 Ca -0.02 0.00 0.11 0.00 -0.39 0.00 0.00 57.03 56.72 2whj h ASP 229 Cb 0.22 0.00 -0.17 0.00 0.68 0.00 0.00 39.33 40.05 2whj h ASP 229 CO 0.04 0.02 0.51 -0.83 -1.61 0.00 0.00 179.24 177.37 2whj s GLY 230 N -4.12 -0.42 -0.21 -0.78 0.00 -0.71 -5.14 107.32 95.93 2whj s GLY 230 Ca -0.05 1.27 -0.07 0.00 0.00 0.00 0.00 44.72 45.88 2whj s GLY 230 CO 0.56 0.51 0.05 0.99 0.00 0.00 0.00 173.10 175.21 2whj s ASP 231 N -2.13 5.21 -0.02 1.64 1.01 -1.26 -0.90 116.67 120.20 2whj s ASP 231 Ca 0.03 -0.11 0.01 0.00 0.71 0.00 0.00 52.55 53.19 2whj s ASP 231 Cb -0.01 -1.91 0.02 0.00 1.01 0.00 0.00 42.92 42.03 2whj s ASP 231 CO -0.06 0.06 -0.03 -0.69 0.21 0.00 0.00 175.17 174.67 2whj s VAL 232 N 1.03 0.33 -1.15 -1.27 1.01 -1.26 -4.31 120.40 114.77 2whj s VAL 232 Ca 0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2whj s VAL 232 Cb -0.14 -0.35 0.23 0.00 0.00 0.00 0.00 36.38 36.11 2whj s VAL 232 CO 0.03 0.15 1.26 -0.62 0.00 0.00 0.00 175.10 175.91 2whj s ASP 233 N 0.62 7.20 0.43 3.32 2.15 0.13 -2.15 116.67 128.37 2whj s ASP 233 Ca -0.07 -3.31 0.17 0.00 0.43 0.00 0.00 52.55 49.77 2whj s ASP 233 Cb -0.10 -2.30 0.97 0.00 -0.30 0.00 0.00 42.92 41.19 2whj s ASP 233 CO -0.01 -0.50 1.93 1.05 -0.17 0.00 0.00 175.17 177.47 2whj h GLU 234 N 6.90 0.00 -0.29 4.34 9.09 -1.87 -1.93 114.58 130.83 2whj h GLU 234 Ca 0.24 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.63 2whj h GLU 234 Cb 0.87 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.96 2whj h GLU 234 CO 1.12 0.25 0.09 -0.44 0.05 0.00 0.00 179.01 180.09 2whj h ASP 235 N 0.00 0.41 0.10 3.06 3.32 -1.95 -1.47 116.42 119.91 2whj h ASP 235 Ca -0.00 -0.20 -0.16 0.00 0.02 0.00 0.00 57.03 56.69 2whj h ASP 235 Cb 0.49 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2whj h ASP 235 CO 0.03 0.50 -0.59 0.74 -1.72 0.00 0.00 179.24 178.21 2whj h THR 236 N 0.30 1.34 -0.42 0.35 2.02 -1.93 0.91 112.91 115.48 2whj h THR 236 Ca 0.09 -1.87 0.06 0.00 0.77 0.00 0.00 66.41 65.46 2whj h THR 236 Cb 0.23 1.85 -0.05 0.00 -1.74 0.00 0.00 68.15 68.45 2whj h THR 236 CO -0.00 0.57 0.12 0.40 0.37 0.00 0.00 175.52 176.98 2whj h ILE 237 N 0.37 0.82 -0.14 3.11 2.04 -1.21 0.18 117.51 122.68 2whj h ILE 237 Ca -0.00 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 2whj h ILE 237 Cb 1.13 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2whj h ILE 237 CO 0.11 0.05 -0.11 -0.07 0.00 0.00 0.00 178.15 178.12 2whj h LEU 238 N 0.27 0.34 -0.25 1.44 4.07 -1.06 -1.42 115.31 118.70 2whj h LEU 238 Ca 0.20 -0.46 -0.14 0.00 0.08 0.00 0.00 57.88 57.56 2whj h LEU 238 Cb 0.22 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 2whj h LEU 238 CO -0.24 0.73 -0.38 0.77 -1.08 0.00 0.00 178.44 178.24 2whj h SER 239 N -0.05 0.77 0.53 -0.43 4.64 -0.71 -2.20 113.55 116.10 2whj h SER 239 Ca 0.02 -0.52 -0.16 0.00 -0.47 0.00 0.00 61.79 60.67 2whj h SER 239 Cb 0.63 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2whj h SER 239 CO 0.03 1.14 -0.70 0.22 -0.87 0.00 0.00 176.83 176.65 2whj h TYR 240 N 0.42 0.19 -0.42 4.77 3.20 -1.04 -1.06 116.97 123.02 2whj h TYR 240 Ca 0.02 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.75 2whj h TYR 240 Cb 0.98 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 2whj h TYR 240 CO 0.08 0.79 -0.00 0.77 -1.64 0.00 0.00 178.16 178.15 2whj h SER 241 N 0.09 0.64 -0.16 -2.11 0.02 -1.22 -1.33 113.55 109.49 2whj h SER 241 Ca -0.02 -0.14 -0.18 0.00 -0.84 0.00 0.00 61.79 60.61 2whj h SER 241 Cb 1.23 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 2whj h SER 241 CO 0.10 0.72 -0.56 -0.08 -1.14 0.00 0.00 176.83 175.87 2whj h GLU 242 N 0.64 0.75 -0.76 3.45 4.57 -0.96 -0.40 114.58 121.87 2whj h GLU 242 Ca 0.13 -0.48 -0.01 0.00 -1.18 0.00 0.00 59.36 57.82 2whj h GLU 242 Cb 0.41 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 2whj h GLU 242 CO 0.02 1.11 0.43 1.49 -1.18 0.00 0.00 179.01 180.87 2whj h GLU 243 N 0.57 1.06 -0.01 1.92 4.81 -0.81 -3.21 114.58 118.92 2whj h GLU 243 Ca 0.01 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2whj h GLU 243 Cb 1.14 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2whj h GLU 243 CO 0.12 0.77 -0.68 0.25 -0.73 0.00 0.00 179.01 178.74 2whj n THR 244 N -4.46 0.00 -1.67 0.32 -2.24 -0.54 -4.96 114.28 100.74 2whj n THR 244 Ca 0.07 -0.11 -0.06 0.00 -2.27 0.00 0.00 64.05 61.68 2whj n THR 244 Cb 0.08 0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 2whj n THR 244 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2whj n GLY 245 N 1.45 0.47 3.80 3.38 0.00 -0.29 -5.01 105.19 108.99 2whj n GLY 245 Ca 0.07 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 2whj n GLY 245 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2whj s THR 246 N -2.27 4.52 0.60 2.61 2.01 -0.43 -4.85 115.64 117.83 2whj s THR 246 Ca 0.00 1.44 -0.11 0.00 0.31 0.00 0.00 61.69 63.33 2whj s THR 246 Cb 0.00 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2whj s THR 246 CO 0.00 0.39 1.01 -0.83 -0.69 0.00 0.00 174.62 174.50 2whj s GLY 247 N -1.36 1.68 0.03 4.40 0.00 -1.03 -4.63 107.32 106.42 2whj s GLY 247 Ca 0.38 -0.10 -0.15 0.00 0.00 0.00 0.00 44.72 44.85 2whj s GLY 247 CO 0.23 0.16 0.33 0.66 0.00 0.00 0.00 173.10 174.48 2whj s TRP 248 N -3.10 -0.16 -0.17 1.90 1.48 0.22 -0.33 118.94 118.79 2whj s TRP 248 Ca 0.55 0.09 -0.04 0.00 -1.06 0.00 0.00 56.10 55.63 2whj s TRP 248 Cb -0.11 0.13 0.07 0.00 -1.16 0.00 0.00 33.47 32.39 2whj s TRP 248 CO 0.51 -0.50 0.12 -0.51 -4.06 0.00 0.00 176.95 172.52 2whj s LEU 249 N -1.91 0.20 0.44 -4.66 1.43 0.04 -1.49 118.68 112.72 2whj s LEU 249 Ca -0.07 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 52.38 2whj s LEU 249 Cb -0.02 -0.06 -0.08 0.00 0.03 0.00 0.00 46.19 46.07 2whj s LEU 249 CO -0.02 -0.33 1.11 0.00 0.23 0.00 0.00 176.35 177.35 2whj s ALA 250 N 2.20 3.00 -0.23 4.21 0.00 -0.06 -3.48 121.76 127.39 2whj s ALA 250 Ca 0.03 0.83 -0.09 0.00 0.00 0.00 0.00 51.96 52.73 2whj s ALA 250 Cb -0.15 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 2whj s ALA 250 CO -0.09 -0.48 0.12 -0.46 0.00 0.00 0.00 175.76 174.85 2whj s TRP 251 N -1.62 3.26 0.23 0.00 -0.11 -0.83 -0.92 118.94 118.95 2whj s TRP 251 Ca 0.62 0.09 -0.12 0.00 1.22 0.00 0.00 56.10 57.91 2whj s TRP 251 Cb -0.25 -2.22 -0.00 0.00 -1.50 0.00 0.00 33.47 29.49 2whj s TRP 251 CO 0.31 0.02 0.45 -1.54 -4.62 0.00 0.00 176.95 171.56 2whj s SER 252 N 1.00 -0.08 0.09 5.86 1.04 -0.35 -4.74 113.70 116.51 2whj s SER 252 Ca 0.06 -0.90 -0.27 0.00 0.48 0.00 0.00 55.95 55.33 2whj s SER 252 Cb -0.14 0.56 -0.15 0.00 0.10 0.00 0.00 66.02 66.39 2whj s SER 252 CO 0.04 -1.09 1.69 -0.25 0.98 0.00 0.00 173.24 174.60 2whj h TRP 253 N 2.30 -0.37 -1.87 5.02 -0.00 -1.10 -0.23 115.95 119.70 2whj h TRP 253 Ca -0.27 -0.01 0.09 0.00 -0.00 0.00 0.00 58.89 58.70 2whj h TRP 253 Cb 1.25 0.13 -0.20 0.00 -0.00 0.00 0.00 29.16 30.34 2whj h TRP 253 CO 0.39 -0.23 0.51 0.21 -0.00 0.00 0.00 178.44 179.32 2whj s LYS 254 N -6.13 0.71 0.00 2.65 2.20 -1.26 -1.09 119.74 116.81 2whj s LYS 254 Ca -0.15 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.43 2whj s LYS 254 Cb 0.05 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 2whj s LYS 254 CO 0.65 -0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.78 2whj n GLY 255 N 0.34 1.12 3.72 5.54 0.00 -1.26 -4.56 105.19 110.08 2whj n GLY 255 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2whj n GLY 255 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2whj s ASN 256 N -2.00 4.23 0.85 1.61 0.01 -1.26 -4.98 114.94 113.40 2whj s ASN 256 Ca 0.00 2.48 -0.13 0.00 -0.71 0.00 0.00 52.86 54.50 2whj s ASN 256 Cb 0.00 -2.60 0.06 0.00 0.41 0.00 0.00 41.25 39.12 2whj s ASN 256 CO 0.00 -2.25 0.85 -1.54 -1.51 0.00 0.00 177.10 172.65 2whj n SER 257 N -2.49 -0.36 -0.26 -1.22 3.41 -1.26 -4.59 113.62 106.86 2whj n SER 257 Ca 0.15 0.49 0.04 0.00 -0.26 0.00 0.00 58.87 59.29 2whj n SER 257 Cb 0.49 -1.37 0.14 0.00 -0.26 0.00 0.00 64.21 63.22 2whj n SER 257 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2whj h THR 258 N -1.15 0.31 0.00 6.66 2.02 -2.00 -0.00 112.91 118.74 2whj h THR 258 Ca -0.45 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2whj h THR 258 Cb 1.30 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2whj h THR 258 CO 0.41 0.01 0.00 -0.62 0.37 0.00 0.00 175.52 175.69 2whj n GLU 259 N -5.39 0.10 -0.17 6.66 -0.58 -1.26 -2.22 120.64 117.78 2whj n GLU 259 Ca 0.13 0.06 0.07 0.00 -0.42 0.00 0.00 57.16 57.00 2whj n GLU 259 Cb 0.45 -1.50 0.15 0.00 -0.57 0.00 0.00 31.44 29.97 2whj n GLU 259 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 2whj n TRP 260 N -1.44 0.30 1.10 -0.32 8.01 -0.10 -4.74 117.44 120.25 2whj n TRP 260 Ca 0.08 -0.81 0.11 0.00 -1.31 0.00 0.00 57.50 55.56 2whj n TRP 260 Cb 0.27 -0.16 0.57 0.00 -2.01 0.00 0.00 31.31 29.98 2whj n TRP 260 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 2whj n ASP 261 N -0.78 0.00 0.16 -0.99 5.68 -0.67 -1.38 116.55 118.57 2whj n ASP 261 Ca 0.14 -0.13 0.11 0.00 -0.50 0.00 0.00 54.79 54.41 2whj n ASP 261 Cb 0.61 -0.24 0.58 0.00 -1.14 0.00 0.00 41.12 40.93 2whj n ASP 261 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2whj n TYR 262 N -1.24 0.75 1.19 2.11 0.18 -1.26 -1.77 117.16 117.11 2whj n TYR 262 Ca 0.11 0.38 0.12 0.00 1.88 0.00 0.00 57.90 60.40 2whj n TYR 262 Cb 0.16 -1.11 0.26 0.00 -0.38 0.00 0.00 39.34 38.27 2whj n TYR 262 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 2whj n LEU 263 N -2.26 1.64 -4.71 -3.48 4.77 -0.48 -4.82 117.00 107.66 2whj n LEU 263 Ca -0.01 -0.54 -0.42 0.00 -0.03 0.00 0.00 56.01 55.01 2whj n LEU 263 Cb 0.05 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2whj n LEU 263 CO 0.11 0.29 1.11 -1.81 -1.33 0.00 0.00 177.39 175.76 2whj s ASP 264 N -2.35 6.78 0.21 -1.43 1.11 -0.73 -1.21 116.67 119.05 2whj s ASP 264 Ca 0.25 2.36 0.11 0.00 0.18 0.00 0.00 52.55 55.45 2whj s ASP 264 Cb 0.19 -2.58 0.02 0.00 1.07 0.00 0.00 42.92 41.62 2whj s ASP 264 CO 0.48 -0.70 1.41 -0.07 1.18 0.00 0.00 175.17 177.47 2whj h LEU 265 N 7.05 0.00 -8.10 1.23 3.38 0.19 -3.40 115.31 115.67 2whj h LEU 265 Ca -0.42 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.19 2whj h LEU 265 Cb 1.21 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.69 2whj h LEU 265 CO 0.88 0.75 -0.77 -0.55 0.09 0.00 0.00 178.44 178.84 2whj s SER 266 N -6.63 1.03 0.24 -0.43 0.15 -0.25 -1.38 113.70 106.43 2whj s SER 266 Ca 0.01 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2whj s SER 266 Cb 0.10 -0.07 0.26 0.00 -1.71 0.00 0.00 66.02 64.60 2whj s SER 266 CO 0.78 0.01 1.61 -0.33 1.20 0.00 0.00 173.24 176.51 2whj h GLU 267 N 5.41 0.49 -6.51 5.44 4.39 -0.99 -3.43 114.58 119.37 2whj h GLU 267 Ca -0.33 -0.25 -0.63 0.00 0.34 0.00 0.00 59.36 58.50 2whj h GLU 267 Cb 1.19 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.64 2whj h GLU 267 CO 0.46 0.82 -0.83 0.16 -1.16 0.00 0.00 179.01 178.46 2whj s ASP 268 N -6.86 3.07 0.40 1.42 -4.77 -1.26 -5.04 116.67 103.64 2whj s ASP 268 Ca -0.07 -0.78 0.06 0.00 -3.30 0.00 0.00 52.55 48.46 2whj s ASP 268 Cb 0.12 -0.20 0.83 0.00 -1.09 0.00 0.00 42.92 42.58 2whj s ASP 268 CO 0.81 0.10 2.05 -0.50 0.70 0.00 0.00 175.17 178.34 2whj h TRP 269 N 3.65 0.55 -0.00 2.11 4.06 -1.97 -1.66 115.95 122.70 2whj h TRP 269 Ca -0.47 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.49 2whj h TRP 269 Cb 1.19 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 29.16 2whj h TRP 269 CO 0.64 0.35 -0.00 0.00 -3.56 0.00 0.00 178.44 175.87 2whj n ALA 270 N -2.47 2.68 -1.67 1.49 0.00 -1.26 -4.11 120.51 115.17 2whj n ALA 270 Ca 0.04 -0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 2whj n ALA 270 Cb 0.06 -1.50 -0.04 0.00 0.00 0.00 0.00 19.45 17.96 2whj n ALA 270 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2whj n GLY 271 N 1.02 0.84 0.22 0.00 0.00 -0.62 -4.75 105.19 101.90 2whj n GLY 271 Ca 0.23 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 45.98 2whj n GLY 271 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2whj h GLN 272 N 0.00 0.00 -2.79 1.61 1.08 -1.91 -3.41 115.11 109.70 2whj h GLN 272 Ca -0.27 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.33 2whj h GLN 272 Cb 0.96 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.00 2whj h GLN 272 CO 0.37 0.00 -0.80 -1.58 -0.95 0.00 0.00 178.83 175.87 2whj s HIS 273 N -3.31 1.24 0.54 2.96 2.46 -1.26 -5.08 115.29 112.84 2whj s HIS 273 Ca 0.06 -1.92 -0.20 0.00 0.47 0.00 0.00 55.06 53.47 2whj s HIS 273 Cb 0.07 -1.33 -0.06 0.00 -0.13 0.00 0.00 32.58 31.14 2whj s HIS 273 CO 0.62 -0.81 1.15 -0.51 -2.47 0.00 0.00 174.74 172.72 2whj s LEU 274 N 0.85 3.77 0.89 8.88 1.43 -1.26 -0.35 118.68 132.88 2whj s LEU 274 Ca 0.17 2.25 -0.12 0.00 -1.03 0.00 0.00 54.13 55.40 2whj s LEU 274 Cb -0.23 -4.54 0.17 0.00 0.03 0.00 0.00 46.19 41.62 2whj s LEU 274 CO -0.01 -1.26 1.23 0.42 0.23 0.00 0.00 176.35 176.96 2whj s THR 275 N -1.70 2.04 0.20 5.49 -4.23 -0.48 -4.76 115.64 112.21 2whj s THR 275 Ca 0.73 -0.14 -0.10 0.00 -1.18 0.00 0.00 61.69 60.99 2whj s THR 275 Cb -0.26 -2.90 0.13 0.00 1.34 0.00 0.00 72.50 70.80 2whj s THR 275 CO 0.29 0.00 1.77 0.44 -0.54 0.00 0.00 174.62 176.59 2whj h ASP 276 N -1.32 0.37 -0.60 3.99 3.32 -1.89 0.19 116.42 120.48 2whj h ASP 276 Ca -0.43 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 2whj h ASP 276 Cb 1.25 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 2whj h ASP 276 CO 0.42 0.23 0.37 -0.25 -1.72 0.00 0.00 179.24 178.29 2whj h TRP 277 N 0.52 0.79 -0.41 4.55 -0.00 -1.87 -0.69 115.95 118.83 2whj h TRP 277 Ca 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.17 2whj h TRP 277 Cb 0.26 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 29.14 2whj h TRP 277 CO -0.12 0.53 0.26 0.78 -0.00 0.00 0.00 178.44 179.89 2whj h GLY 278 N 0.82 0.59 1.29 2.65 0.00 -1.24 -1.95 103.07 105.24 2whj h GLY 278 Ca 0.22 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 2whj h GLY 278 CO -0.04 0.23 0.17 3.43 0.00 0.00 0.00 176.54 180.33 2whj h ASN 279 N 0.55 0.83 -0.50 0.19 2.35 -0.41 0.21 115.58 118.79 2whj h ASN 279 Ca 0.15 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2whj h ASN 279 Cb -0.02 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 2whj h ASN 279 CO -0.03 0.79 0.32 -0.09 -1.65 0.00 0.00 177.43 176.77 2whj h ARG 280 N 0.86 0.62 -0.21 0.81 9.65 -0.71 0.17 114.38 125.57 2whj h ARG 280 Ca 0.19 -0.04 -0.11 0.00 -1.10 0.00 0.00 59.98 58.93 2whj h ARG 280 Cb 0.27 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.71 2whj h ARG 280 CO -0.01 0.41 -0.28 0.82 2.80 0.00 0.00 179.97 183.71 2whj h ILE 281 N 0.64 1.33 0.02 1.20 1.08 -1.03 -2.10 117.51 118.65 2whj h ILE 281 Ca 0.19 -1.48 -0.00 0.00 -0.39 0.00 0.00 64.86 63.18 2whj h ILE 281 Cb -0.04 1.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 2whj h ILE 281 CO -0.06 0.46 -0.01 0.58 -0.69 0.00 0.00 178.15 178.43 2whj h VAL 282 N 0.25 1.26 0.00 1.67 2.07 -0.93 0.49 116.25 121.05 2whj h VAL 282 Ca 0.02 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.72 2whj h VAL 282 Cb 0.86 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 2whj h VAL 282 CO 0.07 0.41 -1.00 1.41 0.02 0.00 0.00 177.57 178.47 2whj n HIS 283 N -4.70 0.00 -1.82 1.57 8.25 0.55 -1.49 115.22 117.58 2whj n HIS 283 Ca -0.07 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.13 2whj n HIS 283 Cb 0.33 -0.09 0.18 0.00 1.12 0.00 0.00 29.99 31.54 2whj n HIS 283 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2whj n GLY 284 N 1.42 -1.43 3.68 -1.41 0.00 -0.79 -4.88 105.19 101.79 2whj n GLY 284 Ca 0.02 -1.71 -0.45 0.00 0.00 0.00 0.00 46.02 43.88 2whj n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whj n ALA 285 N -3.74 1.55 -1.33 4.61 0.00 -1.26 -1.48 120.51 118.86 2whj n ALA 285 Ca -0.19 0.43 -0.11 0.00 0.00 0.00 0.00 53.44 53.56 2whj n ALA 285 Cb 0.51 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.55 2whj n ALA 285 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2whj n ASP 286 N 3.03 -5.28 -2.36 0.00 8.00 -1.26 -4.86 116.55 113.81 2whj n ASP 286 Ca 0.15 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.93 2whj n ASP 286 Cb 0.31 -3.79 0.00 0.00 -0.02 0.00 0.00 41.12 37.62 2whj n ASP 286 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2whj n GLY 287 N -0.38 -0.56 0.24 0.44 0.00 -0.55 -4.67 105.19 99.72 2whj n GLY 287 Ca -0.11 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 2whj n GLY 287 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2whj h LEU 288 N 0.00 0.76 -0.74 0.99 3.38 -0.78 -0.68 115.31 118.24 2whj h LEU 288 Ca 0.00 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.59 2whj h LEU 288 Cb 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2whj h LEU 288 CO 0.00 0.87 -0.06 1.56 0.09 0.00 0.00 178.44 180.90 2whj h GLN 289 N 0.64 0.91 -0.10 1.13 1.08 -1.49 -0.32 115.11 116.96 2whj h GLN 289 Ca 0.13 -0.29 -0.17 0.00 -1.45 0.00 0.00 58.65 56.87 2whj h GLN 289 Cb 0.46 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2whj h GLN 289 CO 0.02 0.93 -0.65 0.93 -0.95 0.00 0.00 178.83 179.11 2whj h GLU 290 N 0.83 0.38 0.00 1.46 5.08 -1.73 -3.41 114.58 117.19 2whj h GLU 290 Ca 0.14 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2whj h GLU 290 Cb 0.57 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2whj h GLU 290 CO 0.03 0.91 -0.35 0.25 -1.00 0.00 0.00 179.01 178.85 2whj n THR 291 N -3.87 0.00 -2.54 1.13 -2.24 -0.28 -4.97 114.28 101.50 2whj n THR 291 Ca -0.03 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 2whj n THR 291 Cb 0.66 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 2whj n THR 291 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2whj s SER 292 N -1.01 7.10 -0.04 3.42 0.15 -0.14 -5.02 113.70 118.16 2whj s SER 292 Ca 0.00 1.68 0.05 0.00 0.70 0.00 0.00 55.95 58.38 2whj s SER 292 Cb 0.00 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 2whj s SER 292 CO 0.00 -0.57 -0.19 -0.54 1.20 0.00 0.00 173.24 173.14 2whj s LYS 293 N 2.37 2.37 0.60 5.44 -0.14 -1.26 -4.95 119.74 124.16 2whj s LYS 293 Ca 0.52 -0.79 -0.17 0.00 -1.36 0.00 0.00 55.97 54.17 2whj s LYS 293 Cb -0.22 -2.24 -0.03 0.00 -1.68 0.00 0.00 37.83 33.66 2whj s LYS 293 CO 0.19 0.58 1.10 -1.25 -0.76 0.00 0.00 175.35 175.21 2whj s PRO 294 N -0.65 3.13 0.36 -1.68 0.04 -1.26 -4.80 135.00 130.15 2whj s PRO 294 Ca 0.10 1.43 -0.28 0.00 0.04 0.00 0.00 61.00 62.29 2whj s PRO 294 Cb -0.11 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 2whj s PRO 294 CO 0.00 -0.99 1.44 0.45 0.04 0.00 0.00 177.00 177.94 2whj n SER 295 N -1.88 3.51 0.07 6.66 2.88 -1.26 -4.89 113.62 118.72 2whj n SER 295 Ca 0.10 1.22 0.10 0.00 -1.33 0.00 0.00 58.87 58.97 2whj n SER 295 Cb 0.52 -1.58 0.43 0.00 -0.75 0.00 0.00 64.21 62.83 2whj n SER 295 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2whj n THR 296 N 0.52 0.82 0.26 2.46 -2.24 -1.26 -2.48 114.28 112.37 2whj n THR 296 Ca 0.03 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 62.09 2whj n THR 296 Cb 0.38 -1.02 0.72 0.00 -2.10 0.00 0.00 70.33 68.32 2whj n THR 296 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2whj h VAL 297 N 0.00 0.85 -0.00 2.28 2.07 -1.91 -2.55 116.25 116.99 2whj h VAL 297 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2whj h VAL 297 Cb 0.36 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2whj h VAL 297 CO 0.00 0.00 -0.00 0.49 0.02 0.00 0.00 177.57 178.08 2whj n PHE 298 N -4.33 0.00 -4.05 1.57 3.72 -1.03 -4.45 117.46 108.89 2whj n PHE 298 Ca -0.03 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.06 2whj n PHE 298 Cb 0.10 -0.03 -0.16 0.00 -0.94 0.00 0.00 39.48 38.46 2whj n PHE 298 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2whj s THR 299 N -2.06 1.79 -1.21 4.37 -4.23 -0.96 -5.03 115.64 108.30 2whj s THR 299 Ca 0.46 -0.93 -0.05 0.00 -1.18 0.00 0.00 61.69 59.98 2whj s THR 299 Cb 0.22 -1.74 0.20 0.00 1.34 0.00 0.00 72.50 72.53 2whj s THR 299 CO 0.38 0.35 2.02 -0.67 -0.54 0.00 0.00 174.62 176.15 2whj n ASP 300 N 4.67 7.02 -0.74 3.99 2.03 -1.26 -4.54 116.55 127.71 2whj n ASP 300 Ca -0.17 -3.30 0.07 0.00 0.52 0.00 0.00 54.79 51.91 2whj n ASP 300 Cb 0.48 -1.33 0.20 0.00 -0.72 0.00 0.00 41.12 39.75 2whj n ASP 300 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2whj n ASP 301 N 1.73 3.35 -4.19 1.67 5.68 -1.26 -4.98 116.55 118.55 2whj n ASP 301 Ca 0.49 -2.47 -0.36 0.00 -0.50 0.00 0.00 54.79 51.95 2whj n ASP 301 Cb 0.29 -0.37 -0.02 0.00 -1.14 0.00 0.00 41.12 39.88 2whj n ASP 301 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2whj n ASN 302 N 0.02 -3.58 -3.32 -1.12 5.15 -1.26 -2.63 115.26 108.53 2whj n ASN 302 Ca 0.16 -0.98 -0.24 0.00 -0.60 0.00 0.00 54.58 52.92 2whj n ASN 302 Cb 0.64 -2.92 0.05 0.00 -0.53 0.00 0.00 39.78 37.02 2whj n ASN 302 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2whj n GLY 303 N -1.43 -0.53 2.09 8.20 0.00 -1.26 -2.22 105.19 110.04 2whj n GLY 303 Ca 0.08 0.18 -0.00 0.00 0.00 0.00 0.00 46.02 46.28 2whj n GLY 303 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whj n GLY 304 N -1.71 0.47 3.72 -0.02 0.00 -1.08 -5.01 105.19 101.56 2whj n GLY 304 Ca -0.05 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2whj n GLY 304 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2whj s HIS 305 N -1.94 2.97 0.21 1.61 4.02 -0.94 -4.93 115.29 116.29 2whj s HIS 305 Ca 0.00 0.52 -0.30 0.00 1.02 0.00 0.00 55.06 56.30 2whj s HIS 305 Cb 0.00 -4.03 -0.09 0.00 -1.02 0.00 0.00 32.58 27.44 2whj s HIS 305 CO 0.00 -3.82 1.39 -2.14 1.02 0.00 0.00 174.74 171.19 2whj s PRO 306 N 1.00 4.32 0.20 8.40 0.02 -1.26 -4.99 135.00 142.69 2whj s PRO 306 Ca 0.71 2.18 -0.22 0.00 0.02 0.00 0.00 61.00 63.69 2whj s PRO 306 Cb -0.47 -3.16 -0.08 0.00 0.02 0.00 0.00 34.50 30.81 2whj s PRO 306 CO 0.33 -0.37 0.74 -1.21 -0.33 0.00 0.00 177.00 176.17 2whj s GLU 307 N -0.01 4.38 0.60 5.54 2.02 -1.26 -5.04 118.70 124.93 2whj s GLU 307 Ca 0.59 0.99 -0.19 0.00 0.02 0.00 0.00 54.97 56.38 2whj s GLU 307 Cb -0.39 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 2whj s GLU 307 CO 0.39 0.47 1.29 -1.25 0.02 0.00 0.00 175.26 176.18 2whj s PRO 308 N -1.62 2.82 0.60 0.39 0.04 -1.26 -4.98 135.00 130.98 2whj s PRO 308 Ca 0.40 2.06 -0.17 0.00 0.04 0.00 0.00 61.00 63.33 2whj s PRO 308 Cb -0.19 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2whj s PRO 308 CO 0.23 -1.39 1.09 -1.25 0.04 0.00 0.00 177.00 175.72 2whj s PRO 309 N -3.22 3.16 0.00 0.56 0.04 -1.26 -5.34 135.00 128.94 2whj s PRO 309 Ca 0.78 1.38 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2whj s PRO 309 Cb -0.37 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2whj s PRO 309 CO 0.40 -0.96 0.51 0.25 0.04 0.00 0.00 177.00 177.24