#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2buj n ASN 5 N 0.00 1.15 0.14 1.62 6.94 -1.26 -2.22 115.26 121.63 2buj n ASN 5 Ca 0.00 -1.73 0.12 0.00 -0.02 0.00 0.00 54.58 52.94 2buj n ASN 5 Cb 0.00 -0.10 0.08 0.00 -2.36 0.00 0.00 39.78 37.40 2buj n ASN 5 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2buj h LEU 6 N 1.43 0.00-10.32 -4.53 4.07 -2.14 -3.45 115.31 100.38 2buj h LEU 6 Ca 0.00 -0.02 -0.50 0.00 0.08 0.00 0.00 57.88 57.45 2buj h LEU 6 Cb 0.32 0.00 0.14 0.00 1.08 0.00 0.00 40.66 42.20 2buj h LEU 6 CO 0.00 0.01 0.27 -0.31 -1.08 0.00 0.00 178.44 177.33 2buj s TYR 7 N -3.29 2.37 0.04 1.13 1.51 -0.94 -5.09 117.35 113.08 2buj s TYR 7 Ca 0.03 1.40 0.03 0.00 -1.01 0.00 0.00 57.07 57.51 2buj s TYR 7 Cb 0.08 -3.12 -0.02 0.00 -0.11 0.00 0.00 41.96 38.79 2buj s TYR 7 CO 0.74 -2.20 -0.10 -0.59 -1.11 0.00 0.00 175.55 172.29 2buj s PHE 8 N -2.90 0.86 0.43 2.71 -0.12 -1.26 -4.98 117.98 112.71 2buj s PHE 8 Ca 0.63 -0.42 -0.23 0.00 -0.05 0.00 0.00 56.93 56.86 2buj s PHE 8 Cb -0.18 -0.51 -0.09 0.00 -0.63 0.00 0.00 43.02 41.61 2buj s PHE 8 CO 0.57 -0.02 1.04 -1.14 -0.05 0.00 0.00 175.22 175.62 2buj s GLN 9 N -1.38 4.05 0.11 1.99 -0.44 -1.26 -5.05 119.66 117.68 2buj s GLN 9 Ca -0.05 1.45 -0.24 0.00 -2.50 0.00 0.00 55.36 54.02 2buj s GLN 9 Cb -0.09 -2.39 0.07 0.00 -1.64 0.00 0.00 33.01 28.96 2buj s GLN 9 CO 0.01 -0.23 0.60 0.20 0.50 0.00 0.00 175.29 176.37 2buj s GLY 10 N -1.71 -0.57 -0.17 2.59 0.00 -1.26 -5.15 107.32 101.05 2buj s GLY 10 Ca 0.61 0.63 -0.05 0.00 0.00 0.00 0.00 44.72 45.91 2buj s GLY 10 CO 0.25 0.30 0.00 0.30 0.00 0.00 0.00 173.10 173.95 2buj s HIS 11 N -3.14 3.12 0.39 1.90 3.76 -1.26 -5.06 115.29 115.00 2buj s HIS 11 Ca -0.02 -0.14 0.04 0.00 -0.15 0.00 0.00 55.06 54.79 2buj s HIS 11 Cb -0.01 -2.01 -0.05 0.00 1.11 0.00 0.00 32.58 31.62 2buj s HIS 11 CO -0.07 0.05 0.06 -1.64 -0.85 0.00 0.00 174.74 172.28 2buj s MET 12 N 0.36 1.85 -0.14 1.40 -1.94 -1.26 -1.15 119.30 118.42 2buj s MET 12 Ca -0.01 -2.08 -0.21 0.00 -1.71 0.00 0.00 55.69 51.68 2buj s MET 12 Cb -0.13 -1.06 0.05 0.00 2.01 0.00 0.00 34.83 35.69 2buj s MET 12 CO 0.02 -0.25 0.54 0.08 -0.01 0.00 0.00 175.02 175.39 2buj s VAL 13 N -3.10 0.01 -0.16 -6.03 1.01 0.05 -4.94 120.40 107.25 2buj s VAL 13 Ca 0.29 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 2buj s VAL 13 Cb 0.07 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2buj s VAL 13 CO 0.14 -0.05 0.01 -0.63 0.00 0.00 0.00 175.10 174.57 2buj s ILE 14 N -0.31 4.31 -0.05 2.22 1.01 -1.26 0.37 121.20 127.49 2buj s ILE 14 Ca -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 2buj s ILE 14 Cb -0.03 -2.90 0.03 0.00 0.01 0.00 0.00 42.46 39.56 2buj s ILE 14 CO 0.03 0.49 0.01 -0.63 0.00 0.00 0.00 174.94 174.84 2buj s ILE 15 N 0.21 0.26 -1.36 2.92 1.01 0.24 -4.83 121.20 119.66 2buj s ILE 15 Ca 0.01 0.15 -0.17 0.00 0.00 0.00 0.00 60.65 60.63 2buj s ILE 15 Cb -0.13 -0.40 0.02 0.00 0.01 0.00 0.00 42.46 41.95 2buj s ILE 15 CO 0.02 0.22 0.40 0.47 0.00 0.00 0.00 174.94 176.05 2buj n ASP 16 N 4.83 -1.89 0.00 3.58 9.92 -1.26 -1.52 116.55 130.21 2buj n ASP 16 Ca -0.13 -1.25 0.00 0.00 -0.53 0.00 0.00 54.79 52.89 2buj n ASP 16 Cb 0.50 -1.89 0.00 0.00 -0.64 0.00 0.00 41.12 39.09 2buj n ASP 16 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2buj n ASN 17 N -2.55 -1.67 -4.53 -2.24 3.02 -1.26 -4.98 115.26 101.06 2buj n ASN 17 Ca -0.21 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.02 2buj n ASN 17 Cb 0.63 -1.50 -0.12 0.00 -0.61 0.00 0.00 39.78 38.18 2buj n ASN 17 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2buj s LYS 18 N -0.67 2.33 0.05 3.52 1.02 -0.58 -5.09 119.74 120.32 2buj s LYS 18 Ca 0.00 -0.84 -0.11 0.00 0.02 0.00 0.00 55.97 55.04 2buj s LYS 18 Cb 0.00 -2.35 -0.06 0.00 -0.52 0.00 0.00 37.83 34.90 2buj s LYS 18 CO 0.00 0.57 0.39 -1.01 -0.92 0.00 0.00 175.35 174.38 2buj s HIS 19 N -0.95 3.62 -0.01 3.18 3.76 -1.26 -0.59 115.29 123.04 2buj s HIS 19 Ca 0.16 0.82 0.02 0.00 -0.15 0.00 0.00 55.06 55.91 2buj s HIS 19 Cb -0.11 -2.18 -0.00 0.00 1.11 0.00 0.00 32.58 31.40 2buj s HIS 19 CO 0.06 0.56 -0.07 0.71 -0.85 0.00 0.00 174.74 175.16 2buj s TYR 20 N -1.30 0.64 -0.19 1.40 1.51 0.16 -2.27 117.35 117.30 2buj s TYR 20 Ca 0.30 -0.13 -0.09 0.00 -1.01 0.00 0.00 57.07 56.14 2buj s TYR 20 Cb -0.15 -0.43 -0.05 0.00 -0.11 0.00 0.00 41.96 41.22 2buj s TYR 20 CO 0.16 -0.03 0.11 -1.17 -1.11 0.00 0.00 175.55 173.51 2buj s LEU 21 N -0.02 4.13 0.06 -1.29 2.96 -0.11 -0.77 118.68 123.63 2buj s LEU 21 Ca 0.01 0.21 -0.31 0.00 -0.22 0.00 0.00 54.13 53.82 2buj s LEU 21 Cb -0.04 -2.06 -0.07 0.00 0.50 0.00 0.00 46.19 44.52 2buj s LEU 21 CO -0.00 0.19 1.40 0.12 -1.32 0.00 0.00 176.35 176.74 2buj s PHE 22 N 0.30 3.01 -0.17 5.38 5.36 -0.30 -1.21 117.98 130.35 2buj s PHE 22 Ca 0.07 0.86 -0.17 0.00 -0.96 0.00 0.00 56.93 56.74 2buj s PHE 22 Cb -0.11 -3.68 -0.06 0.00 -0.34 0.00 0.00 43.02 38.83 2buj s PHE 22 CO -0.01 -2.46 -0.33 -0.89 -1.46 0.00 0.00 175.22 170.07 2buj n ILE 23 N 4.33 1.48 -3.50 3.12 2.08 -0.15 -4.75 119.36 121.97 2buj n ILE 23 Ca 0.12 0.12 -0.10 0.00 0.56 0.00 0.00 62.75 63.46 2buj n ILE 23 Cb 0.43 -2.27 -0.03 0.00 -0.75 0.00 0.00 39.64 37.02 2buj n ILE 23 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2buj s GLN 24 N -2.83 0.86 0.22 0.38 -2.07 -1.22 -5.02 119.66 109.98 2buj s GLN 24 Ca -0.28 -0.22 -0.31 0.00 -1.82 0.00 0.00 55.36 52.74 2buj s GLN 24 Cb 0.04 0.40 -0.10 0.00 -1.09 0.00 0.00 33.01 32.26 2buj s GLN 24 CO 0.41 -0.36 1.50 -1.59 -1.32 0.00 0.00 175.29 173.93 2buj s LYS 25 N -2.77 4.24 -0.18 9.60 -2.85 -1.26 -1.19 119.74 125.32 2buj s LYS 25 Ca 0.02 2.34 -0.15 0.00 -1.00 0.00 0.00 55.97 57.19 2buj s LYS 25 Cb -0.01 -3.12 -0.22 0.00 -2.06 0.00 0.00 37.83 32.42 2buj s LYS 25 CO -0.07 -0.51 0.25 1.28 0.10 0.00 0.00 175.35 176.40 2buj n LEU 26 N 3.01 2.20 0.00 2.77 4.77 0.56 -4.83 117.00 125.48 2buj n LEU 26 Ca 0.10 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2buj n LEU 26 Cb 0.39 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 2buj n LEU 26 CO 0.61 0.53 0.07 0.61 -1.33 0.00 0.00 177.39 177.89 2buj n GLY 27 N 1.67 0.62 2.94 -0.72 0.00 -0.99 -5.02 105.19 103.69 2buj n GLY 27 Ca -0.33 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 2buj n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buj s GLU 28 N -2.00 0.24 0.00 1.61 2.02 -1.26 -1.46 118.70 117.84 2buj s GLU 28 Ca 0.02 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.74 2buj s GLU 28 Cb -0.00 -0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.11 2buj s GLU 28 CO -0.00 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.71 2buj n GLY 29 N 2.54 2.40 0.06 -1.39 0.00 -0.35 -4.97 105.19 103.48 2buj n GLY 29 Ca -0.16 -1.81 -0.01 0.00 0.00 0.00 0.00 46.02 44.03 2buj n GLY 29 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2buj h GLY 30 N 0.00 -0.09 -2.83 -0.02 0.00 -2.01 -3.37 103.07 94.75 2buj h GLY 30 Ca 0.00 0.03 -0.37 0.00 0.00 0.00 0.00 47.33 47.00 2buj h GLY 30 CO 0.00 -0.03 -0.49 0.69 0.00 0.00 0.00 176.54 176.70 2buj n PHE 31 N -3.51 1.85 -4.05 5.60 3.01 -1.26 -5.05 117.46 114.06 2buj n PHE 31 Ca -0.01 -2.02 -0.11 0.00 1.01 0.00 0.00 57.45 56.32 2buj n PHE 31 Cb 0.04 -0.43 -0.11 0.00 -0.01 0.00 0.00 39.48 38.96 2buj n PHE 31 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2buj s SER 32 N -3.21 0.69 -0.00 4.37 1.04 -1.26 -2.61 113.70 112.72 2buj s SER 32 Ca 0.48 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.33 2buj s SER 32 Cb 0.41 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 2buj s SER 32 CO 0.00 -0.27 0.01 -0.31 0.98 0.00 0.00 173.24 173.66 2buj s TYR 33 N -1.67 3.11 -0.18 5.02 1.51 0.03 -1.21 117.35 123.97 2buj s TYR 33 Ca -0.09 0.10 0.01 0.00 -1.01 0.00 0.00 57.07 56.08 2buj s TYR 33 Cb -0.08 -1.68 0.03 0.00 -0.11 0.00 0.00 41.96 40.12 2buj s TYR 33 CO -0.01 0.48 -0.14 0.08 -1.11 0.00 0.00 175.55 174.84 2buj s VAL 34 N -1.10 1.74 0.12 0.71 1.01 -0.54 0.50 120.40 122.85 2buj s VAL 34 Ca 0.20 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2buj s VAL 34 Cb -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2buj s VAL 34 CO 0.11 0.38 0.02 -1.81 0.00 0.00 0.00 175.10 173.80 2buj s ASP 35 N 1.39 5.05 -0.16 3.32 1.01 0.32 -0.32 116.67 127.29 2buj s ASP 35 Ca 0.03 -0.22 -0.16 0.00 0.71 0.00 0.00 52.55 52.91 2buj s ASP 35 Cb -0.14 -1.20 -0.04 0.00 1.01 0.00 0.00 42.92 42.55 2buj s ASP 35 CO -0.10 0.14 0.39 -0.22 0.21 0.00 0.00 175.17 175.58 2buj s LEU 36 N -2.60 4.22 0.07 1.23 2.96 -0.34 -0.69 118.68 123.53 2buj s LEU 36 Ca 0.27 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 54.84 2buj s LEU 36 Cb -0.11 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 2buj s LEU 36 CO 0.19 0.01 -0.12 0.68 -1.32 0.00 0.00 176.35 175.79 2buj s VAL 37 N 0.80 0.97 -0.13 1.68 -7.23 -0.51 -0.97 120.40 115.00 2buj s VAL 37 Ca 0.20 -1.31 -0.04 0.00 -1.81 0.00 0.00 61.98 59.03 2buj s VAL 37 Cb -0.14 -1.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 2buj s VAL 37 CO 0.07 -0.31 -0.00 -0.70 -0.31 0.00 0.00 175.10 173.85 2buj s GLU 38 N -1.86 3.43 -0.22 4.82 2.12 -0.35 -0.68 118.70 125.95 2buj s GLU 38 Ca -0.03 -0.44 -0.29 0.00 0.36 0.00 0.00 54.97 54.58 2buj s GLU 38 Cb -0.09 -2.92 -0.00 0.00 0.26 0.00 0.00 34.13 31.38 2buj s GLU 38 CO 0.02 0.45 1.20 0.20 -0.54 0.00 0.00 175.26 176.59 2buj s GLY 39 N -0.19 1.59 0.00 -1.50 0.00 0.16 -0.94 107.32 106.44 2buj s GLY 39 Ca 0.05 0.27 0.26 0.00 0.00 0.00 0.00 44.72 45.29 2buj s GLY 39 CO 0.02 2.43 1.88 1.04 0.00 0.00 0.00 173.10 178.46 2buj n LEU 40 N 6.79 0.00 -0.09 0.66 4.77 -0.96 -0.72 117.00 127.45 2buj n LEU 40 Ca 0.13 0.11 -0.07 0.00 -0.03 0.00 0.00 56.01 56.15 2buj n LEU 40 Cb 0.46 -0.11 -0.16 0.00 -2.33 0.00 0.00 43.42 41.28 2buj n LEU 40 CO 0.57 -0.02 -1.09 0.00 -1.33 0.00 0.00 177.39 175.52 2buj n HIS 41 N -1.11 0.03 -0.14 -1.77 1.44 -1.26 -4.70 115.22 107.72 2buj n HIS 41 Ca 0.17 0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 2buj n HIS 41 Cb 0.13 -0.94 0.00 0.00 0.12 0.00 0.00 29.99 29.30 2buj n HIS 41 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2buj n ASP 42 N -2.69 0.20 0.00 4.39 3.85 -1.18 -5.03 116.55 116.09 2buj n ASP 42 Ca -0.29 -0.53 0.00 0.00 -0.71 0.00 0.00 54.79 53.26 2buj n ASP 42 Cb 1.08 0.39 0.00 0.00 -1.35 0.00 0.00 41.12 41.24 2buj n ASP 42 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2buj n GLY 43 N 0.39 0.55 3.89 6.12 0.00 0.10 -5.01 105.19 111.23 2buj n GLY 43 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2buj n GLY 43 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2buj s HIS 44 N -2.56 3.58 0.12 1.61 3.76 -1.25 -4.75 115.29 115.80 2buj s HIS 44 Ca 0.00 0.95 0.03 0.00 -0.15 0.00 0.00 55.06 55.89 2buj s HIS 44 Cb 0.00 -2.42 -0.04 0.00 1.11 0.00 0.00 32.58 31.23 2buj s HIS 44 CO 0.00 -0.38 0.19 -0.06 -0.85 0.00 0.00 174.74 173.64 2buj s PHE 45 N -2.84 3.34 0.03 1.40 0.40 -1.26 0.36 117.98 119.41 2buj s PHE 45 Ca 0.50 0.10 -0.06 0.00 -0.60 0.00 0.00 56.93 56.87 2buj s PHE 45 Cb -0.10 -1.63 -0.01 0.00 0.51 0.00 0.00 43.02 41.78 2buj s PHE 45 CO 0.46 0.53 0.11 0.71 0.70 0.00 0.00 175.22 177.73 2buj s TYR 46 N -1.63 0.16 -0.25 0.36 1.51 0.14 -3.72 117.35 113.92 2buj s TYR 46 Ca 0.33 -0.42 -0.13 0.00 -1.01 0.00 0.00 57.07 55.84 2buj s TYR 46 Cb -0.11 -0.12 -0.04 0.00 -0.11 0.00 0.00 41.96 41.57 2buj s TYR 46 CO 0.26 -0.35 0.28 0.00 -1.11 0.00 0.00 175.55 174.63 2buj s ALA 47 N -2.33 3.57 -0.29 3.71 0.00 -0.14 -1.43 121.76 124.85 2buj s ALA 47 Ca -0.07 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 2buj s ALA 47 Cb -0.03 -2.54 -0.00 0.00 0.00 0.00 0.00 23.12 20.55 2buj s ALA 47 CO -0.03 -0.42 0.09 -1.17 0.00 0.00 0.00 175.76 174.23 2buj s LEU 48 N 1.54 3.80 -0.21 0.00 2.96 0.13 -0.49 118.68 126.41 2buj s LEU 48 Ca 0.12 -0.55 -0.14 0.00 -0.22 0.00 0.00 54.13 53.34 2buj s LEU 48 Cb -0.15 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2buj s LEU 48 CO 0.08 -0.15 0.33 -0.75 -1.32 0.00 0.00 176.35 174.54 2buj s LYS 49 N 1.55 4.16 -0.23 1.98 2.20 -0.20 -0.52 119.74 128.68 2buj s LYS 49 Ca 0.04 0.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.74 2buj s LYS 49 Cb -0.17 -3.53 0.03 0.00 -1.51 0.00 0.00 37.83 32.66 2buj s LYS 49 CO 0.03 0.01 -0.13 1.03 -0.36 0.00 0.00 175.35 175.93 2buj s ARG 50 N 1.18 2.74 -0.14 4.03 0.52 0.18 -1.33 118.95 126.13 2buj s ARG 50 Ca 0.16 -1.02 -0.05 0.00 -0.52 0.00 0.00 55.73 54.30 2buj s ARG 50 Cb -0.14 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 2buj s ARG 50 CO 0.07 -0.37 0.03 0.42 0.02 0.00 0.00 175.30 175.47 2buj s ILE 51 N 1.25 4.55 -0.03 1.52 1.01 0.57 -0.79 121.20 129.28 2buj s ILE 51 Ca -0.01 -0.13 -0.19 0.00 0.00 0.00 0.00 60.65 60.32 2buj s ILE 51 Cb -0.16 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 2buj s ILE 51 CO -0.08 0.52 0.53 -0.76 0.00 0.00 0.00 174.94 175.16 2buj s LEU 52 N -0.12 4.39 -0.59 2.97 1.43 -1.07 -0.77 118.68 124.91 2buj s LEU 52 Ca 0.06 1.04 0.06 0.00 -1.03 0.00 0.00 54.13 54.26 2buj s LEU 52 Cb -0.12 -2.81 0.23 0.00 0.03 0.00 0.00 46.19 43.52 2buj s LEU 52 CO 0.02 0.11 0.64 0.00 0.23 0.00 0.00 176.35 177.34 2buj n HIS 54 N 1.26 0.00 -4.05 0.00 8.25 -1.26 -4.79 115.22 114.63 2buj n HIS 54 Ca 0.26 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.59 2buj n HIS 54 Cb 0.43 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 2buj n HIS 54 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2buj s GLU 55 N -2.00 1.87 -0.06 -0.41 8.01 -1.26 -5.09 118.70 119.76 2buj s GLU 55 Ca 0.25 -1.64 -0.26 0.00 0.01 0.00 0.00 54.97 53.34 2buj s GLU 55 Cb 0.11 0.46 -0.21 0.00 -4.31 0.00 0.00 34.13 30.19 2buj s GLU 55 CO 0.19 -0.78 1.06 0.37 0.01 0.00 0.00 175.26 176.11 2buj h GLN 56 N 2.14 -0.05 0.00 1.61 5.75 -2.00 -2.98 115.11 119.57 2buj h GLN 56 Ca -0.29 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 2buj h GLN 56 Cb 1.24 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.80 2buj h GLN 56 CO 0.39 0.55 0.00 1.04 -2.65 0.00 0.00 178.83 178.16 2buj n GLN 57 N -4.81 0.14 -0.02 1.69 1.13 -1.26 -1.31 117.38 112.93 2buj n GLN 57 Ca -0.09 0.63 -0.17 0.00 -1.94 0.00 0.00 57.00 55.43 2buj n GLN 57 Cb 0.31 -1.95 -0.14 0.00 0.11 0.00 0.00 30.24 28.57 2buj n GLN 57 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2buj h ASP 58 N 0.00 0.21 -0.73 1.08 5.19 -1.94 -3.01 116.42 117.21 2buj h ASP 58 Ca 0.00 -0.94 0.15 0.00 -0.62 0.00 0.00 57.03 55.61 2buj h ASP 58 Cb 0.01 -0.07 -0.10 0.00 0.18 0.00 0.00 39.33 39.35 2buj h ASP 58 CO 0.00 1.22 0.23 0.03 -3.12 0.00 0.00 179.24 177.61 2buj h ARG 59 N -0.71 0.34 -0.05 3.56 3.08 -1.04 -2.56 114.38 117.00 2buj h ARG 59 Ca -0.10 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.74 2buj h ARG 59 Cb 1.32 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 2buj h ARG 59 CO 0.05 0.23 -0.78 0.93 -1.07 0.00 0.00 179.97 179.33 2buj h GLU 60 N 0.35 0.36 -0.00 0.04 3.07 -1.41 -2.77 114.58 114.22 2buj h GLU 60 Ca 0.40 -0.32 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 2buj h GLU 60 Cb 0.64 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2buj h GLU 60 CO -0.44 0.98 -0.33 -0.85 -1.40 0.00 0.00 179.01 176.96 2buj n GLU 61 N -3.79 0.41 0.08 2.33 0.28 -1.14 -2.73 120.64 116.08 2buj n GLU 61 Ca -0.04 -0.22 -0.09 0.00 -0.16 0.00 0.00 57.16 56.65 2buj n GLU 61 Cb 0.74 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 32.05 2buj n GLU 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2buj h ALA 62 N 3.34 0.41 -0.61 -1.84 0.00 -1.34 -2.47 119.26 116.75 2buj h ALA 62 Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 2buj h ALA 62 Cb 0.49 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2buj h ALA 62 CO 0.00 1.05 0.27 1.96 0.00 0.00 0.00 179.25 182.54 2buj h GLN 63 N 0.05 0.89 -0.68 0.00 1.08 -1.43 -2.35 115.11 112.67 2buj h GLN 63 Ca -0.04 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.01 2buj h GLN 63 Cb 1.67 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.91 2buj h GLN 63 CO 0.14 0.74 0.40 -0.09 -0.95 0.00 0.00 178.83 179.07 2buj h ARG 64 N 0.84 0.93 0.09 1.46 2.43 -1.48 0.72 114.38 119.37 2buj h ARG 64 Ca 0.21 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2buj h ARG 64 Cb 0.15 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2buj h ARG 64 CO -0.02 0.68 -0.04 1.49 -1.51 0.00 0.00 179.97 180.56 2buj h GLU 65 N 0.93 -0.12 -0.11 0.20 4.81 -1.40 0.23 114.58 119.12 2buj h GLU 65 Ca 0.24 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 2buj h GLU 65 Cb -0.01 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 2buj h GLU 65 CO -0.04 0.05 -0.21 0.00 -0.73 0.00 0.00 179.01 178.08 2buj h ALA 66 N 0.63 -0.17 0.00 2.92 0.00 -1.16 -2.11 119.26 119.37 2buj h ALA 66 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2buj h ALA 66 Cb 0.23 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2buj h ALA 66 CO 0.02 -0.67 0.00 0.38 0.00 0.00 0.00 179.25 178.98 2buj h ASP 67 N -0.27 0.00 -0.46 0.00 3.04 -0.75 -2.15 116.42 115.84 2buj h ASP 67 Ca 0.09 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.80 2buj h ASP 67 Cb 0.41 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.68 2buj h ASP 67 CO -0.27 0.00 -0.03 -0.03 -2.04 0.00 0.00 179.24 176.87 2buj h MET 68 N 0.00 0.83 -0.81 4.15 4.05 -0.46 -2.48 114.93 120.22 2buj h MET 68 Ca 0.00 -0.28 0.02 0.00 -0.28 0.00 0.00 59.70 59.16 2buj h MET 68 Cb 0.62 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.31 2buj h MET 68 CO 0.00 0.90 0.53 0.45 0.23 0.00 0.00 176.91 179.02 2buj h HIS 69 N 0.68 0.99 0.00 1.39 3.86 -0.79 -3.00 115.15 118.28 2buj h HIS 69 Ca 0.13 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2buj h HIS 69 Cb 0.55 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2buj h HIS 69 CO 0.04 0.60 0.00 0.54 0.86 0.00 0.00 177.93 179.97 2buj n ARG 70 N -4.55 0.45 -0.01 2.45 1.74 -0.87 -2.61 116.66 113.26 2buj n ARG 70 Ca 0.09 0.04 0.14 0.00 -0.77 0.00 0.00 57.85 57.35 2buj n ARG 70 Cb 0.05 -1.50 0.65 0.00 -1.02 0.00 0.00 32.46 30.64 2buj n ARG 70 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2buj n LEU 71 N -1.22 0.92 -4.25 0.55 -0.00 -0.96 -4.84 117.00 107.20 2buj n LEU 71 Ca 0.13 -0.32 -0.29 0.00 -0.00 0.00 0.00 56.01 55.53 2buj n LEU 71 Cb 0.17 -0.01 -0.16 0.00 -0.00 0.00 0.00 43.42 43.42 2buj n LEU 71 CO 0.18 0.16 -0.54 -0.36 -0.00 0.00 0.00 177.39 176.82 2buj s PHE 72 N -1.98 2.06 -0.53 1.47 0.40 -1.07 -5.06 117.98 113.27 2buj s PHE 72 Ca 0.40 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 56.35 2buj s PHE 72 Cb 0.20 -1.33 0.16 0.00 0.51 0.00 0.00 43.02 42.56 2buj s PHE 72 CO 0.33 -0.05 0.37 1.21 0.70 0.00 0.00 175.22 177.77 2buj s ASN 73 N -0.49 3.31 -0.06 1.36 2.47 -1.26 -4.98 114.94 115.30 2buj s ASN 73 Ca 0.07 -3.24 -0.03 0.00 0.42 0.00 0.00 52.86 50.09 2buj s ASN 73 Cb -0.09 -1.05 0.03 0.00 -1.45 0.00 0.00 41.25 38.69 2buj s ASN 73 CO -0.00 -0.16 0.13 -2.28 -3.72 0.00 0.00 177.10 171.06 2buj s HIS 74 N -0.42 -0.14 0.56 0.43 2.46 -1.26 -5.04 115.29 111.87 2buj s HIS 74 Ca 0.26 0.40 0.25 0.00 0.47 0.00 0.00 55.06 56.44 2buj s HIS 74 Cb -0.07 -0.05 1.51 0.00 -0.13 0.00 0.00 32.58 33.84 2buj s HIS 74 CO -0.13 -0.13 2.08 -1.00 -2.47 0.00 0.00 174.74 173.10 2buj h PRO 75 N 6.81 0.00 -0.70 2.88 0.13 -1.99 -0.93 132.00 138.19 2buj h PRO 75 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2buj h PRO 75 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2buj h PRO 75 CO 0.43 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.29 2buj n ASN 76 N -4.12 4.44 -3.97 1.44 4.13 -1.26 -4.72 115.26 111.20 2buj n ASN 76 Ca 0.03 -2.24 -0.22 0.00 1.68 0.00 0.00 54.58 53.83 2buj n ASN 76 Cb 0.36 -0.55 -0.16 0.00 -1.54 0.00 0.00 39.78 37.89 2buj n ASN 76 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2buj s ILE 77 N -1.45 0.84 0.07 2.41 1.01 -0.36 -1.07 121.20 122.66 2buj s ILE 77 Ca 0.51 -0.33 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 2buj s ILE 77 Cb 0.30 -0.79 -0.09 0.00 0.01 0.00 0.00 42.46 41.89 2buj s ILE 77 CO 0.29 0.28 1.81 -0.22 0.00 0.00 0.00 174.94 177.10 2buj s LEU 78 N 0.61 4.39 0.44 2.97 2.96 -0.61 -4.53 118.68 124.92 2buj s LEU 78 Ca -0.11 2.62 -0.09 0.00 -0.22 0.00 0.00 54.13 56.34 2buj s LEU 78 Cb -0.13 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 2buj s LEU 78 CO 0.02 -0.98 0.79 0.00 -1.32 0.00 0.00 176.35 174.85 2buj s ARG 79 N 3.31 3.68 -0.30 1.98 1.70 -1.26 -4.89 118.95 123.17 2buj s ARG 79 Ca 0.81 0.38 -0.08 0.00 -0.47 0.00 0.00 55.73 56.36 2buj s ARG 79 Cb -0.42 -2.37 -0.01 0.00 -0.57 0.00 0.00 34.95 31.58 2buj s ARG 79 CO 0.36 -0.12 0.12 -1.17 -1.08 0.00 0.00 175.30 173.41 2buj s LEU 80 N -4.24 3.92 0.10 -1.89 2.96 -1.26 -4.40 118.68 113.88 2buj s LEU 80 Ca 0.50 -0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 53.79 2buj s LEU 80 Cb -0.10 -1.95 -0.16 0.00 0.50 0.00 0.00 46.19 44.48 2buj s LEU 80 CO 0.37 -0.17 1.25 0.58 -1.32 0.00 0.00 176.35 177.07 2buj h VAL 81 N 5.70 1.34 -2.12 1.68 2.07 -1.22 -3.48 116.25 120.22 2buj h VAL 81 Ca -0.33 -2.34 0.03 0.00 0.82 0.00 0.00 66.70 64.88 2buj h VAL 81 Cb 1.14 2.39 -0.18 0.00 -1.52 0.00 0.00 31.29 33.12 2buj h VAL 81 CO 0.61 0.71 0.38 0.00 0.02 0.00 0.00 177.57 179.29 2buj s ALA 82 N -3.30 -1.80 -0.02 1.67 0.00 -1.17 -4.97 121.76 112.16 2buj s ALA 82 Ca -0.08 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.07 2buj s ALA 82 Cb 0.08 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.27 2buj s ALA 82 CO 0.89 -0.51 -0.01 -0.47 0.00 0.00 0.00 175.76 175.66 2buj s TYR 83 N -2.12 0.35 0.27 0.00 5.04 -1.26 -0.58 117.35 119.04 2buj s TYR 83 Ca -0.02 -0.03 -0.11 0.00 -2.44 0.00 0.00 57.07 54.47 2buj s TYR 83 Cb -0.01 -0.37 -0.00 0.00 0.35 0.00 0.00 41.96 41.93 2buj s TYR 83 CO -0.01 -0.10 0.48 0.00 -1.34 0.00 0.00 175.55 174.57 2buj s LEU 85 N -3.06 2.32 0.01 0.00 1.43 -1.26 -1.04 118.68 117.07 2buj s LEU 85 Ca 0.24 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2buj s LEU 85 Cb -0.00 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 2buj s LEU 85 CO 0.11 0.23 -0.03 -0.13 0.23 0.00 0.00 176.35 176.76 2buj s ARG 86 N -1.61 0.25 -0.18 1.70 1.81 -0.01 -4.99 118.95 115.93 2buj s ARG 86 Ca 0.13 -0.31 -0.02 0.00 -1.72 0.00 0.00 55.73 53.81 2buj s ARG 86 Cb -0.10 -0.10 0.05 0.00 -0.45 0.00 0.00 34.95 34.35 2buj s ARG 86 CO 0.04 0.02 0.01 -2.00 -0.68 0.00 0.00 175.30 172.69 2buj s GLU 87 N -0.63 0.84 -0.79 3.54 2.56 -1.26 -0.85 118.70 122.10 2buj s GLU 87 Ca -0.05 -0.43 -0.00 0.00 0.00 0.00 0.00 54.97 54.49 2buj s GLU 87 Cb -0.04 -2.01 0.20 0.00 2.00 0.00 0.00 34.13 34.27 2buj s GLU 87 CO -0.00 -0.57 0.64 -3.38 -0.56 0.00 0.00 175.26 171.39 2buj s HIS 92 N 1.80 3.71 0.03 5.30 -3.43 -1.26 -5.24 115.29 116.20 2buj s HIS 92 Ca -0.01 -3.05 0.02 0.00 -0.80 0.00 0.00 55.06 51.23 2buj s HIS 92 Cb -0.16 -3.10 -0.02 0.00 -1.43 0.00 0.00 32.58 27.86 2buj s HIS 92 CO -0.07 -0.71 -0.07 -1.21 -2.00 0.00 0.00 174.74 170.67 2buj s GLU 93 N -1.11 0.52 -0.09 -0.38 2.02 -0.03 -1.08 118.70 118.55 2buj s GLU 93 Ca 0.25 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 54.67 2buj s GLU 93 Cb -0.10 -0.37 -0.02 0.00 0.10 0.00 0.00 34.13 33.74 2buj s GLU 93 CO -0.11 0.08 -0.13 0.00 0.02 0.00 0.00 175.26 175.12 2buj s ALA 94 N -0.96 2.69 -0.09 5.21 0.00 0.05 -0.82 121.76 127.84 2buj s ALA 94 Ca -0.06 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.02 2buj s ALA 94 Cb -0.07 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 2buj s ALA 94 CO 0.00 0.41 -0.23 -1.58 0.00 0.00 0.00 175.76 174.36 2buj s TRP 95 N -0.23 2.55 -0.15 0.00 0.52 -0.21 -0.32 118.94 121.10 2buj s TRP 95 Ca 0.01 -0.90 0.01 0.00 0.02 0.00 0.00 56.10 55.25 2buj s TRP 95 Cb -0.13 -1.69 0.02 0.00 -1.15 0.00 0.00 33.47 30.52 2buj s TRP 95 CO 0.03 -0.33 -0.17 -0.51 0.02 0.00 0.00 176.95 175.99 2buj s LEU 96 N 0.16 1.87 -0.24 2.99 1.43 -0.44 -1.96 118.68 122.49 2buj s LEU 96 Ca -0.13 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.26 2buj s LEU 96 Cb -0.16 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 2buj s LEU 96 CO 0.07 -0.01 0.48 -0.22 0.23 0.00 0.00 176.35 176.90 2buj s LEU 97 N 1.27 4.09 0.17 1.79 2.96 0.26 -1.03 118.68 128.18 2buj s LEU 97 Ca 0.02 0.54 0.11 0.00 -0.22 0.00 0.00 54.13 54.58 2buj s LEU 97 Cb -0.14 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 2buj s LEU 97 CO -0.09 -0.21 -0.25 -0.76 -1.32 0.00 0.00 176.35 173.72 2buj s LEU 98 N 1.94 2.39 0.89 -0.68 1.43 0.36 -0.60 118.68 124.41 2buj s LEU 98 Ca 0.21 -0.82 -0.10 0.00 -1.03 0.00 0.00 54.13 52.39 2buj s LEU 98 Cb -0.15 -1.16 0.13 0.00 0.03 0.00 0.00 46.19 45.04 2buj s LEU 98 CO 0.09 0.13 1.13 -2.84 0.23 0.00 0.00 176.35 175.10 2buj s PRO 99 N -2.44 1.22 -0.03 1.29 0.02 -1.26 -0.97 135.00 132.82 2buj s PRO 99 Ca 0.18 1.45 0.02 0.00 0.02 0.00 0.00 61.00 62.67 2buj s PRO 99 Cb -0.09 -1.76 -0.03 0.00 0.02 0.00 0.00 34.50 32.64 2buj s PRO 99 CO 0.08 -2.46 -0.06 0.12 -0.33 0.00 0.00 177.00 174.35 2buj s PHE 100 N -2.70 2.94 -0.37 6.54 5.36 -1.24 -4.10 117.98 124.40 2buj s PHE 100 Ca 0.66 0.01 0.03 0.00 -0.96 0.00 0.00 56.93 56.67 2buj s PHE 100 Cb -0.22 -1.67 0.11 0.00 -0.34 0.00 0.00 43.02 40.90 2buj s PHE 100 CO 0.58 0.37 0.09 -0.06 -1.46 0.00 0.00 175.22 174.74 2buj s PHE 101 N -0.92 3.38 0.37 10.12 0.40 -1.26 -4.97 117.98 125.10 2buj s PHE 101 Ca 0.15 -2.87 0.18 0.00 -0.60 0.00 0.00 56.93 53.79 2buj s PHE 101 Cb -0.11 -2.74 1.14 0.00 0.51 0.00 0.00 43.02 41.82 2buj s PHE 101 CO 0.05 -0.90 1.68 0.87 0.70 0.00 0.00 175.22 177.61 2buj h LYS 102 N 7.46 0.30 -0.00 0.44 1.57 -1.97 -1.94 116.57 122.43 2buj h LYS 102 Ca -0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2buj h LYS 102 Cb 1.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2buj h LYS 102 CO 0.54 0.20 -0.23 0.54 -0.57 0.00 0.00 179.45 179.92 2buj n ARG 103 N -4.91 0.01 0.00 3.15 1.74 -1.26 -5.03 116.66 110.36 2buj n ARG 103 Ca 0.32 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 2buj n ARG 103 Cb 1.04 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 2buj n ARG 103 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2buj n GLY 104 N 1.50 -0.09 3.97 -0.13 0.00 -0.73 -4.77 105.19 104.94 2buj n GLY 104 Ca 0.06 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 2buj n GLY 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2buj s THR 105 N 0.00 4.49 0.52 2.61 -4.23 -1.26 -0.97 115.64 116.80 2buj s THR 105 Ca 0.00 -0.83 0.22 0.00 -1.18 0.00 0.00 61.69 59.90 2buj s THR 105 Cb 0.00 -3.59 0.36 0.00 1.34 0.00 0.00 72.50 70.60 2buj s THR 105 CO 0.00 -0.29 2.04 0.25 -0.54 0.00 0.00 174.62 176.08 2buj h LEU 106 N 0.84 0.02 -0.14 4.79 5.85 -1.21 -2.70 115.31 122.76 2buj h LEU 106 Ca -0.48 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.13 2buj h LEU 106 Cb 1.24 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2buj h LEU 106 CO 0.57 0.01 -0.35 -0.25 -0.34 0.00 0.00 178.44 178.08 2buj h TRP 107 N 0.02 0.63 0.00 1.25 2.91 -1.80 -1.79 115.95 117.17 2buj h TRP 107 Ca 0.18 -0.24 0.00 0.00 1.13 0.00 0.00 58.89 59.96 2buj h TRP 107 Cb 0.70 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.23 2buj h TRP 107 CO -0.00 0.97 0.00 0.27 -1.03 0.00 0.00 178.44 178.65 2buj n ASN 108 N -4.34 0.39 0.07 2.65 0.23 -1.05 -1.21 115.26 112.01 2buj n ASN 108 Ca -0.07 0.59 -0.21 0.00 -0.53 0.00 0.00 54.58 54.36 2buj n ASN 108 Cb 0.51 -0.67 -0.13 0.00 -2.08 0.00 0.00 39.78 37.41 2buj n ASN 108 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2buj h GLU 109 N 0.00 0.58 -0.70 -3.83 4.57 -1.28 -1.70 114.58 112.22 2buj h GLU 109 Ca 0.00 -0.74 -0.04 0.00 -1.18 0.00 0.00 59.36 57.39 2buj h GLU 109 Cb 0.37 0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 2buj h GLU 109 CO 0.00 1.32 0.27 0.82 -1.18 0.00 0.00 179.01 180.24 2buj h ILE 110 N 0.18 1.25 -0.21 2.32 2.04 -1.04 -2.68 117.51 119.36 2buj h ILE 110 Ca -0.16 -0.79 -0.15 0.00 1.00 0.00 0.00 64.86 64.76 2buj h ILE 110 Cb 1.78 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 2buj h ILE 110 CO 0.21 0.32 -0.49 -0.33 0.00 0.00 0.00 178.15 177.86 2buj h GLU 111 N 1.01 0.57 -0.68 2.37 5.08 -1.20 -2.15 114.58 119.57 2buj h GLU 111 Ca 0.23 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 2buj h GLU 111 Cb 0.23 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2buj h GLU 111 CO -0.02 0.93 0.13 -0.09 -1.00 0.00 0.00 179.01 178.96 2buj h ARG 112 N 0.45 1.12 -0.39 2.33 2.43 -1.30 -2.12 114.38 116.91 2buj h ARG 112 Ca 0.02 -0.29 -0.14 0.00 -0.81 0.00 0.00 59.98 58.77 2buj h ARG 112 Cb 1.01 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 2buj h ARG 112 CO 0.09 1.01 -0.30 -0.07 -1.51 0.00 0.00 179.97 179.19 2buj h LEU 113 N 1.05 0.87 -1.08 3.80 3.38 -1.49 -3.19 115.31 118.66 2buj h LEU 113 Ca 0.21 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2buj h LEU 113 Cb 0.42 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2buj h LEU 113 CO 0.01 1.10 -0.39 0.50 0.09 0.00 0.00 178.44 179.75 2buj h LYS 114 N 0.71 0.13 0.00 1.13 3.64 -1.19 0.11 116.57 121.11 2buj h LYS 114 Ca 0.08 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2buj h LYS 114 Cb 0.85 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2buj h LYS 114 CO 0.07 0.51 0.00 -0.44 -2.27 0.00 0.00 179.45 177.32 2buj h ASP 115 N 0.11 0.00 -0.54 4.20 3.32 -1.38 -1.68 116.42 120.45 2buj h ASP 115 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2buj h ASP 115 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2buj h ASP 115 CO 0.06 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.87 2buj n LYS 116 N -2.53 3.23 -3.18 3.56 5.02 -0.96 -4.99 118.16 118.31 2buj n LYS 116 Ca 0.02 -2.63 -0.06 0.00 -2.02 0.00 0.00 58.31 53.62 2buj n LYS 116 Cb 0.28 -1.67 0.01 0.00 -0.02 0.00 0.00 35.03 33.64 2buj n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2buj n GLY 117 N 0.87 -1.22 3.62 0.72 0.00 -0.63 -5.02 105.19 103.52 2buj n GLY 117 Ca 0.21 0.50 -0.06 0.00 0.00 0.00 0.00 46.02 46.67 2buj n GLY 117 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2buj s ASN 118 N -3.09 -0.28 0.01 1.61 3.84 0.36 -4.98 114.94 112.42 2buj s ASN 118 Ca 0.10 -0.18 -0.24 0.00 0.21 0.00 0.00 52.86 52.75 2buj s ASN 118 Cb -0.02 0.43 0.05 0.00 -0.55 0.00 0.00 41.25 41.17 2buj s ASN 118 CO 0.77 -0.75 0.53 -0.36 -2.79 0.00 0.00 177.10 174.50 2buj s PHE 119 N -3.19 -0.45 0.48 0.43 0.40 -1.26 -2.83 117.98 111.55 2buj s PHE 119 Ca 0.08 0.61 -0.24 0.00 -0.60 0.00 0.00 56.93 56.79 2buj s PHE 119 Cb -0.01 0.32 -0.07 0.00 0.51 0.00 0.00 43.02 43.78 2buj s PHE 119 CO -0.04 -0.60 1.31 -0.51 0.70 0.00 0.00 175.22 176.08 2buj s LEU 120 N -1.68 4.02 0.62 -0.37 1.43 -1.26 -5.01 118.68 116.43 2buj s LEU 120 Ca -0.08 2.66 -0.12 0.00 -1.03 0.00 0.00 54.13 55.56 2buj s LEU 120 Cb -0.01 -4.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.06 2buj s LEU 120 CO 0.02 -1.18 1.03 0.42 0.23 0.00 0.00 176.35 176.88 2buj s THR 121 N -1.33 4.52 0.25 5.49 -4.23 -1.26 -4.87 115.64 114.20 2buj s THR 121 Ca 0.64 0.87 -0.04 0.00 -1.18 0.00 0.00 61.69 61.98 2buj s THR 121 Cb -0.38 -3.74 0.22 0.00 1.34 0.00 0.00 72.50 69.95 2buj s THR 121 CO 0.46 -1.02 1.83 -0.08 -0.54 0.00 0.00 174.62 175.28 2buj h GLU 122 N -0.24 0.87 -0.65 3.99 4.81 -1.95 0.58 114.58 122.00 2buj h GLU 122 Ca -0.44 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 2buj h GLU 122 Cb 1.19 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 2buj h GLU 122 CO 0.61 0.57 0.24 -0.44 -0.73 0.00 0.00 179.01 179.26 2buj h ASP 123 N 0.89 0.88 -0.10 1.04 3.32 -1.99 -0.20 116.42 120.26 2buj h ASP 123 Ca 0.40 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 2buj h ASP 123 Cb 0.29 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2buj h ASP 123 CO -0.22 0.80 0.03 1.56 -1.72 0.00 0.00 179.24 179.69 2buj h GLN 124 N 0.94 0.16 -0.46 3.56 4.20 -1.66 -2.69 115.11 119.16 2buj h GLN 124 Ca 0.22 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.94 2buj h GLN 124 Cb 0.21 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.92 2buj h GLN 124 CO -0.02 0.31 0.19 0.82 -0.67 0.00 0.00 178.83 179.46 2buj h ILE 125 N -0.03 0.90 -0.70 2.54 2.04 -0.59 -2.10 117.51 119.58 2buj h ILE 125 Ca 0.03 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.79 2buj h ILE 125 Cb 0.22 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 2buj h ILE 125 CO -0.00 0.07 0.44 -0.07 0.00 0.00 0.00 178.15 178.59 2buj h LEU 126 N 0.39 0.72 -0.91 1.44 3.38 -0.99 -0.32 115.31 119.02 2buj h LEU 126 Ca 0.21 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 2buj h LEU 126 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2buj h LEU 126 CO -0.18 0.50 -0.32 -0.50 0.09 0.00 0.00 178.44 178.02 2buj h TRP 127 N 0.86 0.47 -0.23 1.13 4.06 -1.18 -2.31 115.95 118.75 2buj h TRP 127 Ca 0.28 -0.11 -0.05 0.00 2.06 0.00 0.00 58.89 61.07 2buj h TRP 127 Cb 0.01 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.05 2buj h TRP 127 CO -0.04 0.69 -0.03 -0.07 -3.56 0.00 0.00 178.44 175.43 2buj h LEU 128 N 0.36 0.43 -0.96 -4.49 3.38 -0.70 -2.61 115.31 110.71 2buj h LEU 128 Ca 0.04 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.71 2buj h LEU 128 Cb 0.75 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 2buj h LEU 128 CO 0.06 0.67 0.63 -0.07 0.09 0.00 0.00 178.44 179.81 2buj h LEU 129 N 0.18 1.03 -0.48 1.67 4.07 -1.01 -1.99 115.31 118.78 2buj h LEU 129 Ca 0.06 -0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.05 2buj h LEU 129 Cb 0.47 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.94 2buj h LEU 129 CO 0.02 0.70 0.25 -0.07 -1.08 0.00 0.00 178.44 178.25 2buj h LEU 130 N 1.20 0.36 -0.37 1.67 4.07 -1.31 -1.75 115.31 119.18 2buj h LEU 130 Ca 0.39 0.02 -0.19 0.00 0.08 0.00 0.00 57.88 58.18 2buj h LEU 130 Cb 0.03 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 2buj h LEU 130 CO -0.13 0.26 -0.77 1.23 -1.08 0.00 0.00 178.44 177.94 2buj h GLY 131 N 0.49 0.40 0.95 0.83 0.00 -1.12 -2.04 103.07 102.58 2buj h GLY 131 Ca 0.21 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 2buj h GLY 131 CO -0.14 0.53 -0.15 -2.22 0.00 0.00 0.00 176.54 174.56 2buj h ILE 132 N 0.24 1.29 -0.22 2.60 2.04 -1.28 -1.69 117.51 120.48 2buj h ILE 132 Ca -0.04 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 2buj h ILE 132 Cb 1.36 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 2buj h ILE 132 CO 0.13 0.41 -0.02 0.00 0.00 0.00 0.00 178.15 178.67 2buj h ARG 134 N 0.32 0.91 -0.08 0.00 2.47 -1.03 -0.22 114.38 116.75 2buj h ARG 134 Ca 0.07 -0.40 -0.00 0.00 -1.26 0.00 0.00 59.98 58.39 2buj h ARG 134 Cb 0.26 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 2buj h ARG 134 CO 0.01 1.06 0.05 0.78 0.56 0.00 0.00 179.97 182.42 2buj h GLY 135 N 0.89 0.12 0.96 0.04 0.00 -1.04 -1.71 103.07 102.34 2buj h GLY 135 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2buj h GLY 135 CO 0.07 0.05 0.22 1.41 0.00 0.00 0.00 176.54 178.29 2buj h LEU 136 N 0.06 0.55 -1.20 3.11 3.38 -1.03 -1.37 115.31 118.81 2buj h LEU 136 Ca 0.03 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2buj h LEU 136 Cb 0.05 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2buj h LEU 136 CO -0.01 0.51 0.54 1.05 0.09 0.00 0.00 178.44 180.63 2buj h GLU 137 N 0.55 1.03 -0.16 1.13 4.11 -1.01 0.17 114.58 120.40 2buj h GLU 137 Ca 0.15 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.51 2buj h GLU 137 Cb 0.10 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2buj h GLU 137 CO -0.02 0.68 0.10 0.00 0.07 0.00 0.00 179.01 179.84 2buj h ALA 138 N 1.50 0.21 -0.10 1.06 0.00 -0.42 -0.56 119.26 120.96 2buj h ALA 138 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2buj h ALA 138 Cb -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2buj h ALA 138 CO -0.08 -0.27 0.06 0.82 0.00 0.00 0.00 179.25 179.78 2buj h ILE 139 N 0.18 1.03 -0.13 0.00 2.04 -0.93 -2.99 117.51 116.71 2buj h ILE 139 Ca 0.06 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 2buj h ILE 139 Cb 0.04 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2buj h ILE 139 CO -0.01 0.03 -0.09 0.45 0.00 0.00 0.00 178.15 178.53 2buj h HIS 140 N 0.13 0.20 0.00 1.37 3.86 -0.41 -1.65 115.15 118.64 2buj h HIS 140 Ca 0.03 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 2buj h HIS 140 Cb -0.01 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 2buj h HIS 140 CO -0.07 0.28 -0.24 0.00 0.86 0.00 0.00 177.93 178.76 2buj h ALA 141 N 1.73 1.17 -0.03 2.45 0.00 -0.96 -1.43 119.26 122.19 2buj h ALA 141 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2buj h ALA 141 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2buj h ALA 141 CO 0.01 0.30 0.00 1.63 0.00 0.00 0.00 179.25 181.20 2buj n LYS 142 N -3.63 1.59 -0.10 0.00 4.76 -0.65 -4.93 118.16 115.21 2buj n LYS 142 Ca -0.01 -0.87 0.00 0.00 -2.87 0.00 0.00 58.31 54.56 2buj n LYS 142 Cb 0.37 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 2buj n LYS 142 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2buj n GLY 143 N 1.15 0.94 3.63 0.72 0.00 -0.54 -5.06 105.19 106.03 2buj n GLY 143 Ca 0.19 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 2buj n GLY 143 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2buj s TYR 144 N -2.00 2.57 -0.02 1.61 1.51 -1.04 -0.86 117.35 119.12 2buj s TYR 144 Ca 0.00 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.73 2buj s TYR 144 Cb 0.00 -1.42 -0.01 0.00 -0.11 0.00 0.00 41.96 40.41 2buj s TYR 144 CO 0.00 0.50 -0.20 0.00 -1.11 0.00 0.00 175.55 174.74 2buj s ALA 145 N -2.48 1.67 0.05 3.71 0.00 -0.96 -3.42 121.76 120.33 2buj s ALA 145 Ca 0.34 -0.84 -0.34 0.00 0.00 0.00 0.00 51.96 51.12 2buj s ALA 145 Cb -0.02 -0.45 -0.19 0.00 0.00 0.00 0.00 23.12 22.47 2buj s ALA 145 CO 0.19 0.39 1.42 1.25 0.00 0.00 0.00 175.76 179.02 2buj h HIS 146 N 5.76 -1.13 0.00 0.00 2.76 -1.95 -3.02 115.15 117.56 2buj h HIS 146 Ca -0.37 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 2buj h HIS 146 Cb 1.15 0.37 0.00 0.00 1.55 0.00 0.00 27.41 30.48 2buj h HIS 146 CO 0.40 -0.70 0.00 0.54 -1.30 0.00 0.00 177.93 176.87 2buj n ARG 147 N -5.50 0.00 -2.60 5.26 5.12 -1.26 -4.51 116.66 113.17 2buj n ARG 147 Ca -0.15 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.64 2buj n ARG 147 Cb 0.48 -2.50 0.02 0.00 -1.16 0.00 0.00 32.46 29.31 2buj n ARG 147 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2buj n ASP 148 N 0.00 2.51 -4.64 0.55 2.03 -1.26 -4.22 116.55 111.52 2buj n ASP 148 Ca 0.00 -2.93 -0.43 0.00 0.52 0.00 0.00 54.79 51.95 2buj n ASP 148 Cb 0.00 -0.49 -0.02 0.00 -0.72 0.00 0.00 41.12 39.89 2buj n ASP 148 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2buj s LEU 149 N -3.35 3.99 0.22 -2.67 2.96 -1.26 -4.79 118.68 113.78 2buj s LEU 149 Ca 0.34 1.34 -0.18 0.00 -0.22 0.00 0.00 54.13 55.41 2buj s LEU 149 Cb 0.42 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.60 2buj s LEU 149 CO -0.03 -0.94 0.58 -1.59 -1.32 0.00 0.00 176.35 173.06 2buj s LYS 150 N 3.85 1.52 0.47 1.98 -2.85 -1.26 -4.77 119.74 118.67 2buj s LYS 150 Ca 0.54 -0.92 0.14 0.00 -1.00 0.00 0.00 55.97 54.72 2buj s LYS 150 Cb -0.17 0.55 1.08 0.00 -2.06 0.00 0.00 37.83 37.23 2buj s LYS 150 CO 0.19 -0.66 2.07 -1.35 0.10 0.00 0.00 175.35 175.69 2buj h PRO 151 N 2.13 0.10 0.00 1.78 0.11 -1.94 -0.46 132.00 133.72 2buj h PRO 151 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2buj h PRO 151 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2buj h PRO 151 CO 0.33 0.14 0.00 0.25 -0.21 0.00 0.00 178.00 178.51 2buj n THR 152 N -4.44 0.75 -0.15 -1.15 -2.24 -1.26 -2.94 114.28 102.85 2buj n THR 152 Ca -0.02 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.91 2buj n THR 152 Cb 0.15 -0.96 0.30 0.00 -2.10 0.00 0.00 70.33 67.71 2buj n THR 152 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2buj n ASN 153 N -2.28 3.62 -4.17 3.42 3.02 -0.19 -4.83 115.26 113.86 2buj n ASN 153 Ca 0.03 -2.00 -0.34 0.00 -0.03 0.00 0.00 54.58 52.24 2buj n ASN 153 Cb 0.30 -0.45 -0.14 0.00 -0.61 0.00 0.00 39.78 38.88 2buj n ASN 153 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2buj s ILE 154 N -1.10 2.81 0.46 2.41 1.01 -1.15 -2.14 121.20 123.50 2buj s ILE 154 Ca 0.45 -1.28 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 2buj s ILE 154 Cb 0.24 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 2buj s ILE 154 CO 0.31 0.03 0.81 -0.76 0.00 0.00 0.00 174.94 175.33 2buj s LEU 155 N 1.26 3.68 -0.24 2.97 1.43 0.03 -1.22 118.68 126.59 2buj s LEU 155 Ca -0.04 1.11 -0.04 0.00 -1.03 0.00 0.00 54.13 54.13 2buj s LEU 155 Cb -0.19 -4.04 0.00 0.00 0.03 0.00 0.00 46.19 42.00 2buj s LEU 155 CO -0.03 -0.53 -0.04 -0.76 0.23 0.00 0.00 176.35 175.23 2buj s LEU 156 N -4.34 3.08 1.08 1.79 1.43 -0.15 -0.42 118.68 121.15 2buj s LEU 156 Ca 0.50 -0.57 -0.16 0.00 -1.03 0.00 0.00 54.13 52.88 2buj s LEU 156 Cb -0.10 -1.73 0.23 0.00 0.03 0.00 0.00 46.19 44.61 2buj s LEU 156 CO 0.39 -0.07 1.12 -0.83 0.23 0.00 0.00 176.35 177.19 2buj s GLY 157 N 1.44 1.58 0.24 -3.19 0.00 0.11 -4.38 107.32 103.11 2buj s GLY 157 Ca 0.04 -0.70 -0.06 0.00 0.00 0.00 0.00 44.72 44.00 2buj s GLY 157 CO -0.03 0.04 1.84 -0.55 0.00 0.00 0.00 173.10 174.40 2buj h ASP 158 N -2.15 0.79 -0.34 1.64 3.32 -1.96 0.91 116.42 118.64 2buj h ASP 158 Ca -0.50 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 2buj h ASP 158 Cb 1.31 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 2buj h ASP 158 CO 0.47 0.50 0.07 -0.62 -1.72 0.00 0.00 179.24 177.94 2buj n GLU 159 N -4.65 2.72 -0.98 3.56 4.71 -1.26 -4.88 120.64 119.86 2buj n GLU 159 Ca 0.12 -1.60 0.00 0.00 -0.01 0.00 0.00 57.16 55.67 2buj n GLU 159 Cb 0.18 -1.83 0.00 0.00 -1.01 0.00 0.00 31.44 28.78 2buj n GLU 159 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2buj n GLY 160 N 0.18 0.54 3.75 0.62 0.00 0.32 -5.02 105.19 105.58 2buj n GLY 160 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2buj n GLY 160 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2buj s GLN 161 N -0.26 4.61 0.18 1.61 0.00 -1.26 -4.67 119.66 119.87 2buj s GLN 161 Ca 0.00 1.77 -0.30 0.00 -0.00 0.00 0.00 55.36 56.83 2buj s GLN 161 Cb 0.00 -3.23 -0.08 0.00 0.00 0.00 0.00 33.01 29.70 2buj s GLN 161 CO 0.00 0.13 1.10 -1.25 0.00 0.00 0.00 175.29 175.27 2buj s PRO 162 N -0.85 4.59 -0.21 9.60 0.04 -1.26 0.06 135.00 146.97 2buj s PRO 162 Ca 0.47 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2buj s PRO 162 Cb -0.31 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 31.01 2buj s PRO 162 CO 0.38 0.07 -0.05 0.08 0.04 0.00 0.00 177.00 177.51 2buj s VAL 163 N -0.23 1.32 0.22 -0.36 1.01 0.44 -4.35 120.40 118.45 2buj s VAL 163 Ca 0.49 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 2buj s VAL 163 Cb -0.29 -1.56 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 2buj s VAL 163 CO 0.35 -0.01 1.25 -0.76 0.00 0.00 0.00 175.10 175.94 2buj s LEU 164 N 1.51 4.44 0.00 3.92 1.02 -0.23 -0.79 118.68 128.56 2buj s LEU 164 Ca -0.03 2.38 0.02 0.00 0.02 0.00 0.00 54.13 56.53 2buj s LEU 164 Cb -0.17 -3.62 -0.01 0.00 0.02 0.00 0.00 46.19 42.41 2buj s LEU 164 CO -0.07 -0.44 0.08 1.15 0.02 0.00 0.00 176.35 177.08 2buj n MET 165 N 2.16 0.80 -2.79 1.70 0.00 -0.91 -1.57 117.12 116.50 2buj n MET 165 Ca 0.04 -2.07 -0.03 0.00 0.00 0.00 0.00 57.70 55.63 2buj n MET 165 Cb 0.43 1.05 0.02 0.00 0.00 0.00 0.00 33.22 34.72 2buj n MET 165 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2buj n ASP 166 N -1.67 -6.38 -0.00 3.17 2.03 -1.26 -4.94 116.55 107.51 2buj n ASP 166 Ca -0.05 -0.20 0.07 0.00 0.52 0.00 0.00 54.79 55.13 2buj n ASP 166 Cb 0.37 -4.40 -0.09 0.00 -0.72 0.00 0.00 41.12 36.29 2buj n ASP 166 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2buj n LEU 167 N -1.97 0.45 -0.33 -2.67 4.77 -1.26 -4.65 117.00 111.34 2buj n LEU 167 Ca -0.02 -0.36 -0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2buj n LEU 167 Cb 0.53 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.78 2buj n LEU 167 CO 0.44 0.11 1.28 1.23 -1.33 0.00 0.00 177.39 179.12 2buj h GLY 168 N 2.99 1.32 -3.35 -0.72 0.00 -1.91 -2.93 103.07 98.47 2buj h GLY 168 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 2buj h GLY 168 CO 0.00 0.45 0.13 1.44 0.00 0.00 0.00 176.54 178.55 2buj n SER 169 N -4.41 4.84 -4.72 0.19 7.64 -1.26 -4.70 113.62 111.20 2buj n SER 169 Ca 0.11 -2.95 -0.42 0.00 1.01 0.00 0.00 58.87 56.63 2buj n SER 169 Cb 0.05 -0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 62.52 2buj n SER 169 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2buj s MET 170 N -2.62 4.31 0.91 1.43 1.00 -1.11 -5.00 119.30 118.22 2buj s MET 170 Ca 0.48 2.12 -0.13 0.00 0.00 0.00 0.00 55.69 58.16 2buj s MET 170 Cb 0.38 -3.22 0.14 0.00 0.00 0.00 0.00 34.83 32.12 2buj s MET 170 CO 0.13 -0.44 1.16 1.21 0.00 0.00 0.00 175.02 177.08 2buj s ASN 171 N 1.00 3.52 0.34 3.03 2.47 -1.14 -4.88 114.94 119.29 2buj s ASN 171 Ca 0.64 0.85 -0.27 0.00 0.42 0.00 0.00 52.86 54.50 2buj s ASN 171 Cb -0.38 -1.35 -0.09 0.00 -1.45 0.00 0.00 41.25 37.97 2buj s ASN 171 CO 0.32 -2.53 1.18 0.00 -3.72 0.00 0.00 177.10 172.35 2buj s GLN 172 N -5.39 4.32 0.24 0.43 -2.07 -1.26 -2.26 119.66 113.67 2buj s GLN 172 Ca 0.65 1.93 -0.04 0.00 -1.82 0.00 0.00 55.36 56.07 2buj s GLN 172 Cb -0.13 -2.94 0.40 0.00 -1.09 0.00 0.00 33.01 29.25 2buj s GLN 172 CO 0.53 -0.11 1.80 0.00 -1.32 0.00 0.00 175.29 176.18 2buj h ALA 173 N 3.20 1.15 -3.22 2.60 0.00 -1.21 -3.41 119.26 118.38 2buj h ALA 173 Ca -0.48 0.04 -0.53 0.00 0.00 0.00 0.00 54.91 53.94 2buj h ALA 173 Cb 1.22 -0.10 -0.37 0.00 0.00 0.00 0.00 17.79 18.54 2buj h ALA 173 CO 0.65 0.05 -0.80 0.00 0.00 0.00 0.00 179.25 179.15 2buj s ILE 175 N 1.69 1.77 -0.47 0.00 1.01 0.38 -4.98 121.20 120.60 2buj s ILE 175 Ca 0.04 -2.10 -0.35 0.00 0.00 0.00 0.00 60.65 58.23 2buj s ILE 175 Cb -0.13 -2.31 -0.14 0.00 0.01 0.00 0.00 42.46 39.89 2buj s ILE 175 CO -0.08 -0.66 2.27 0.00 0.00 0.00 0.00 174.94 176.47 2buj n HIS 176 N 4.34 1.37 -3.90 3.97 1.44 -1.26 -1.41 115.22 119.76 2buj n HIS 176 Ca 0.02 0.37 -0.35 0.00 -2.01 0.00 0.00 57.72 55.75 2buj n HIS 176 Cb 0.41 -2.48 -0.14 0.00 0.12 0.00 0.00 29.99 27.90 2buj n HIS 176 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2buj s VAL 177 N 7.76 3.28 -0.28 0.61 1.01 0.32 -5.02 120.40 128.07 2buj s VAL 177 Ca 1.14 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 2buj s VAL 177 Cb -0.96 -2.58 0.09 0.00 0.00 0.00 0.00 36.38 32.92 2buj s VAL 177 CO 0.50 0.29 0.09 -1.61 0.00 0.00 0.00 175.10 174.36 2buj s GLU 178 N 1.43 0.61 0.00 2.72 2.02 -1.22 -1.14 118.70 123.12 2buj s GLU 178 Ca 0.03 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2buj s GLU 178 Cb -0.16 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.21 2buj s GLU 178 CO -0.03 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 174.74 2buj n GLY 179 N 4.96 3.42 0.34 -1.39 0.00 0.16 -4.78 105.19 107.91 2buj n GLY 179 Ca -0.04 -1.53 0.01 0.00 0.00 0.00 0.00 46.02 44.46 2buj n GLY 179 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2buj h SER 180 N 0.00 0.82 0.33 1.61 0.02 -1.94 -2.33 113.55 112.05 2buj h SER 180 Ca 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2buj h SER 180 Cb 0.00 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2buj h SER 180 CO 0.00 0.60 -0.21 -0.09 -1.14 0.00 0.00 176.83 175.99 2buj h ARG 181 N 0.96 -0.50 -0.87 3.45 1.12 -1.96 -0.42 114.38 116.17 2buj h ARG 181 Ca 0.26 0.03 0.14 0.00 -1.11 0.00 0.00 59.98 59.30 2buj h ARG 181 Cb -0.10 0.11 -0.09 0.00 -0.01 0.00 0.00 29.97 29.88 2buj h ARG 181 CO -0.05 -0.33 0.47 1.96 -3.11 0.00 0.00 179.97 178.91 2buj h GLN 182 N -0.52 0.68 -0.66 0.20 4.20 -1.79 -1.53 115.11 115.70 2buj h GLN 182 Ca -0.03 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 2buj h GLN 182 Cb 0.43 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2buj h GLN 182 CO 0.03 0.45 0.18 0.00 -0.67 0.00 0.00 178.83 178.82 2buj h ALA 183 N 1.54 0.86 -0.17 3.87 0.00 -1.04 -2.20 119.26 122.12 2buj h ALA 183 Ca 0.46 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2buj h ALA 183 Cb 0.59 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2buj h ALA 183 CO -0.33 0.56 -0.10 1.25 0.00 0.00 0.00 179.25 180.62 2buj h LEU 184 N 0.96 0.39 -1.47 0.00 6.46 -0.20 -0.83 115.31 120.62 2buj h LEU 184 Ca 0.21 -0.43 -0.02 0.00 -0.12 0.00 0.00 57.88 57.52 2buj h LEU 184 Cb 0.33 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 2buj h LEU 184 CO -0.00 0.74 0.15 0.71 -0.62 0.00 0.00 178.44 179.41 2buj h THR 185 N 0.05 1.14 -0.10 1.05 1.35 -1.31 -0.31 112.91 114.78 2buj h THR 185 Ca 0.04 -0.43 -0.14 0.00 -0.55 0.00 0.00 66.41 65.33 2buj h THR 185 Cb 0.60 0.70 0.01 0.00 -1.73 0.00 0.00 68.15 67.73 2buj h THR 185 CO 0.03 0.17 -0.49 0.25 -0.25 0.00 0.00 175.52 175.22 2buj h LEU 186 N 0.51 0.60 -0.86 3.87 5.85 -1.28 -1.78 115.31 122.22 2buj h LEU 186 Ca 0.13 -0.65 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 2buj h LEU 186 Cb 0.10 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2buj h LEU 186 CO -0.01 1.15 0.48 -0.61 -0.34 0.00 0.00 178.44 179.11 2buj h GLN 187 N 0.10 1.20 -0.23 1.25 4.15 -0.88 0.12 115.11 120.81 2buj h GLN 187 Ca -0.03 -0.14 -0.08 0.00 0.77 0.00 0.00 58.65 59.17 2buj h GLN 187 Cb 1.14 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 2buj h GLN 187 CO 0.10 0.88 -0.20 -0.44 -1.93 0.00 0.00 178.83 177.24 2buj h ASP 188 N 1.20 0.41 -0.07 -0.69 3.32 -1.10 0.21 116.42 119.71 2buj h ASP 188 Ca 0.30 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2buj h ASP 188 Cb 0.02 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 2buj h ASP 188 CO -0.05 0.63 -0.01 -0.25 -1.72 0.00 0.00 179.24 177.84 2buj h TRP 189 N 0.38 0.14 -0.68 4.55 7.01 -0.60 -3.12 115.95 123.63 2buj h TRP 189 Ca 0.06 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2buj h TRP 189 Cb 0.57 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.56 2buj h TRP 189 CO 0.02 0.42 0.42 0.00 -2.79 0.00 0.00 178.44 176.51 2buj h ALA 190 N 0.70 0.86 -0.89 2.65 0.00 -0.67 -0.86 119.26 121.04 2buj h ALA 190 Ca 0.02 -0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.11 2buj h ALA 190 Cb 0.37 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2buj h ALA 190 CO 0.00 0.32 0.63 0.00 0.00 0.00 0.00 179.25 180.21 2buj h ALA 191 N 1.22 2.70 0.00 0.00 0.00 -0.62 -0.02 119.26 122.55 2buj h ALA 191 Ca 0.25 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 2buj h ALA 191 Cb -0.06 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2buj h ALA 191 CO -0.05 -0.97 -2.05 0.94 0.00 0.00 0.00 179.25 177.13 2buj n GLN 192 N -4.33 0.66 -0.07 0.00 0.00 -0.54 -4.55 117.38 108.56 2buj n GLN 192 Ca 0.19 -0.11 -0.16 0.00 -0.00 0.00 0.00 57.00 56.92 2buj n GLN 192 Cb 0.91 -1.55 -0.14 0.00 0.00 0.00 0.00 30.24 29.46 2buj n GLN 192 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2buj n ARG 193 N -2.46 0.69 -3.42 3.69 3.00 -0.44 -4.89 116.66 112.83 2buj n ARG 193 Ca -0.13 0.18 -0.44 0.00 -0.00 0.00 0.00 57.85 57.46 2buj n ARG 193 Cb 0.77 -1.62 -0.08 0.00 0.00 0.00 0.00 32.46 31.53 2buj n ARG 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2buj n THR 195 N 5.15 0.02 -0.02 0.00 -1.04 -1.26 -4.64 114.28 112.49 2buj n THR 195 Ca -0.12 -0.00 0.05 0.00 -2.04 0.00 0.00 64.05 61.93 2buj n THR 195 Cb 0.43 -0.34 0.42 0.00 -1.82 0.00 0.00 70.33 69.02 2buj n THR 195 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 2buj h ILE 196 N 3.78 1.09 0.00 12.58 2.10 -1.94 -1.32 117.51 133.79 2buj h ILE 196 Ca -0.48 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.26 2buj h ILE 196 Cb 1.39 0.47 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 2buj h ILE 196 CO 0.78 0.10 0.00 -1.20 -1.08 0.00 0.00 178.15 176.76 2buj n SER 197 N -4.47 0.00 0.00 2.19 7.64 -1.26 -3.04 113.62 114.67 2buj n SER 197 Ca 0.04 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.38 2buj n SER 197 Cb 0.09 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 2buj n SER 197 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2buj n TYR 198 N -1.48 0.00 -2.91 1.43 4.02 -0.56 -4.54 117.16 113.13 2buj n TYR 198 Ca 0.05 -0.22 -0.40 0.00 -0.01 0.00 0.00 57.90 57.33 2buj n TYR 198 Cb 0.24 -0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 39.48 2buj n TYR 198 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2buj s ARG 199 N -0.44 4.60 0.58 -0.72 3.52 -0.84 -4.21 118.95 121.44 2buj s ARG 199 Ca 0.00 1.22 -0.17 0.00 -0.13 0.00 0.00 55.73 56.65 2buj s ARG 199 Cb 0.00 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 2buj s ARG 199 CO 0.00 0.41 1.08 0.00 -0.81 0.00 0.00 175.30 175.98 2buj s ALA 200 N -0.61 2.69 0.33 6.12 0.00 -1.26 -4.94 121.76 124.08 2buj s ALA 200 Ca 0.39 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.92 2buj s ALA 200 Cb -0.23 -3.28 0.55 0.00 0.00 0.00 0.00 23.12 20.16 2buj s ALA 200 CO 0.27 -0.83 1.99 -1.35 0.00 0.00 0.00 175.76 175.84 2buj h PRO 201 N 0.70 0.95 0.00 0.00 0.11 -1.91 -2.47 132.00 129.37 2buj h PRO 201 Ca -0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2buj h PRO 201 Cb 1.24 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2buj h PRO 201 CO 0.57 0.63 0.00 -0.85 -0.21 0.00 0.00 178.00 178.13 2buj n GLU 202 N -4.43 0.18 0.00 1.05 0.00 -1.26 -2.10 120.64 114.07 2buj n GLU 202 Ca 0.08 0.50 0.13 0.00 0.00 0.00 0.00 57.16 57.87 2buj n GLU 202 Cb 0.05 -1.91 0.35 0.00 0.00 0.00 0.00 31.44 29.93 2buj n GLU 202 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2buj n LEU 203 N -2.25 1.12 0.04 -1.84 4.77 -0.93 -4.15 117.00 113.76 2buj n LEU 203 Ca 0.01 -0.31 -0.21 0.00 -0.03 0.00 0.00 56.01 55.47 2buj n LEU 203 Cb 0.16 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 41.00 2buj n LEU 203 CO 0.16 0.21 -0.28 -0.26 -1.33 0.00 0.00 177.39 175.89 2buj h PHE 204 N 1.33 0.53 -2.74 -1.77 -1.00 -1.55 -3.41 116.94 108.34 2buj h PHE 204 Ca 0.00 -0.39 -0.60 0.00 2.81 0.00 0.00 57.97 59.79 2buj h PHE 204 Cb 0.53 -0.02 -0.39 0.00 3.61 0.00 0.00 35.95 39.67 2buj h PHE 204 CO 0.00 1.49 -0.81 0.45 -1.61 0.00 0.00 178.31 177.83 2buj s SER 205 N -7.07 3.08 -0.17 2.17 0.15 -1.26 -5.05 113.70 105.54 2buj s SER 205 Ca -0.17 -2.64 -0.29 0.00 0.70 0.00 0.00 55.95 53.54 2buj s SER 205 Cb 0.03 -0.74 -0.01 0.00 -1.71 0.00 0.00 66.02 63.59 2buj s SER 205 CO 0.80 -0.25 1.17 -0.69 1.20 0.00 0.00 173.24 175.47 2buj s VAL 206 N 0.42 4.44 0.57 4.45 1.01 -1.26 -4.95 120.40 125.08 2buj s VAL 206 Ca 0.21 1.74 -0.20 0.00 0.00 0.00 0.00 61.98 63.73 2buj s VAL 206 Cb -0.17 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2buj s VAL 206 CO -0.05 -0.13 1.30 -1.10 0.00 0.00 0.00 175.10 175.13 2buj s GLN 207 N 3.17 3.01 0.41 2.72 -0.21 -1.26 -4.82 119.66 122.69 2buj s GLN 207 Ca 0.51 2.09 0.21 0.00 0.02 0.00 0.00 55.36 58.19 2buj s GLN 207 Cb -0.20 -2.11 0.85 0.00 1.00 0.00 0.00 33.01 32.56 2buj s GLN 207 CO 0.13 -1.25 1.81 0.77 -2.12 0.00 0.00 175.29 174.63 2buj h SER 208 N 1.18 0.00 -3.00 5.90 0.02 -1.89 -3.39 113.55 112.36 2buj h SER 208 Ca -0.51 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 59.86 2buj h SER 208 Cb 1.31 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.45 2buj h SER 208 CO 0.56 0.29 -0.79 -1.00 -1.14 0.00 0.00 176.83 174.75 2buj s HIS 209 N -3.72 1.25 0.33 3.45 3.76 -1.25 0.39 115.29 119.50 2buj s HIS 209 Ca -0.00 -1.85 -0.18 0.00 -0.15 0.00 0.00 55.06 52.88 2buj s HIS 209 Cb 0.11 -1.35 0.06 0.00 1.11 0.00 0.00 32.58 32.50 2buj s HIS 209 CO 0.66 -0.82 0.84 0.00 -0.85 0.00 0.00 174.74 174.57 2buj s VAL 211 N -2.45 1.95 -0.12 0.00 1.01 -1.26 -0.52 120.40 119.01 2buj s VAL 211 Ca 0.16 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 61.01 2buj s VAL 211 Cb -0.05 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 2buj s VAL 211 CO 0.09 0.42 0.38 -0.63 0.00 0.00 0.00 175.10 175.37 2buj s ILE 212 N 1.31 5.22 0.00 2.22 1.09 -0.50 -4.95 121.20 125.59 2buj s ILE 212 Ca 0.03 0.75 0.00 0.00 -1.10 0.00 0.00 60.65 60.32 2buj s ILE 212 Cb -0.14 -3.71 0.00 0.00 -1.06 0.00 0.00 42.46 37.55 2buj s ILE 212 CO -0.11 0.40 0.00 -0.90 -0.10 0.00 0.00 174.94 174.23 2buj n ASP 213 N 3.29 0.32 0.00 3.58 3.85 -1.26 0.14 116.55 126.47 2buj n ASP 213 Ca -0.11 -0.10 0.13 0.00 -0.71 0.00 0.00 54.79 54.01 2buj n ASP 213 Cb 0.52 0.00 0.60 0.00 -1.35 0.00 0.00 41.12 40.89 2buj n ASP 213 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 2buj n GLU 214 N 0.00 0.06 0.07 0.11 0.00 -1.15 -3.01 120.64 116.71 2buj n GLU 214 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 57.16 57.27 2buj n GLU 214 Cb 0.00 -1.50 0.36 0.00 0.00 0.00 0.00 31.44 30.30 2buj n GLU 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2buj n ARG 215 N -1.47 0.09 -0.33 3.44 1.74 -1.26 -1.45 116.66 117.41 2buj n ARG 215 Ca 0.08 0.43 0.14 0.00 -0.77 0.00 0.00 57.85 57.72 2buj n ARG 215 Cb 0.31 -1.71 0.33 0.00 -1.02 0.00 0.00 32.46 30.37 2buj n ARG 215 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2buj h THR 216 N 0.00 0.60 -0.11 0.55 2.02 -1.94 -1.88 112.91 112.16 2buj h THR 216 Ca 0.00 -0.21 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 2buj h THR 216 Cb 0.19 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 2buj h THR 216 CO 0.00 0.11 -0.46 0.44 0.37 0.00 0.00 175.52 175.98 2buj h ASP 217 N 0.61 0.28 -0.60 4.18 3.32 -1.53 -3.00 116.42 119.68 2buj h ASP 217 Ca 0.59 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.48 2buj h ASP 217 Cb 1.02 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 2buj h ASP 217 CO -0.44 0.71 0.29 0.58 -1.72 0.00 0.00 179.24 178.66 2buj h VAL 218 N 0.22 1.21 -0.23 -1.35 2.07 -1.47 0.04 116.25 116.73 2buj h VAL 218 Ca 0.01 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 2buj h VAL 218 Cb 0.90 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2buj h VAL 218 CO 0.07 0.25 0.08 -0.25 0.02 0.00 0.00 177.57 177.74 2buj h TRP 219 N 0.89 0.37 -0.55 1.57 2.91 -1.33 -0.68 115.95 119.13 2buj h TRP 219 Ca 0.22 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.19 2buj h TRP 219 Cb 0.11 -0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 28.62 2buj h TRP 219 CO 0.01 0.42 0.28 0.77 -1.03 0.00 0.00 178.44 178.89 2buj h SER 220 N 0.22 0.68 -0.41 2.65 0.02 -1.31 -1.91 113.55 113.49 2buj h SER 220 Ca 0.08 -0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 2buj h SER 220 Cb 0.22 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2buj h SER 220 CO -0.00 0.56 -0.32 0.25 -1.14 0.00 0.00 176.83 176.18 2buj h LEU 221 N 0.76 0.99 -0.77 5.07 5.85 -0.64 -0.97 115.31 125.61 2buj h LEU 221 Ca 0.19 -0.44 0.12 0.00 0.84 0.00 0.00 57.88 58.59 2buj h LEU 221 Cb 0.05 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 40.72 2buj h LEU 221 CO -0.03 1.23 0.37 1.23 -0.34 0.00 0.00 178.44 180.89 2buj h GLY 222 N 0.77 1.18 1.43 3.75 0.00 -0.46 0.02 103.07 109.76 2buj h GLY 222 Ca 0.08 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 2buj h GLY 222 CO 0.08 -0.01 -0.12 0.00 0.00 0.00 0.00 176.54 176.49 2buj h VAL 224 N 0.62 1.25 -0.52 0.00 2.07 -0.64 -2.12 116.25 116.91 2buj h VAL 224 Ca 0.11 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 2buj h VAL 224 Cb 0.57 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2buj h VAL 224 CO 0.04 0.36 0.19 0.25 0.02 0.00 0.00 177.57 178.42 2buj h LEU 225 N 0.81 0.73 -0.63 2.57 5.85 -0.55 -1.93 115.31 122.16 2buj h LEU 225 Ca 0.16 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2buj h LEU 225 Cb 0.44 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2buj h LEU 225 CO 0.02 0.72 0.42 0.22 -0.34 0.00 0.00 178.44 179.47 2buj h TYR 226 N 0.70 0.79 -0.91 1.25 3.20 -1.09 -1.35 116.97 119.56 2buj h TYR 226 Ca 0.17 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2buj h TYR 226 Cb 0.23 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 2buj h TYR 226 CO 0.01 0.49 0.59 0.00 -1.64 0.00 0.00 178.16 177.61 2buj h ALA 227 N 1.24 1.15 -0.41 1.82 0.00 -1.13 0.40 119.26 122.33 2buj h ALA 227 Ca 0.23 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2buj h ALA 227 Cb -0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.32 2buj h ALA 227 CO -0.05 0.57 -0.20 0.52 0.00 0.00 0.00 179.25 180.08 2buj h MET 228 N 1.23 0.80 0.00 0.00 2.86 -0.88 0.20 114.93 119.14 2buj h MET 228 Ca 0.33 -0.31 -0.18 0.00 -2.06 0.00 0.00 59.70 57.48 2buj h MET 228 Cb -0.12 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 2buj h MET 228 CO -0.07 0.93 -0.84 0.52 1.06 0.00 0.00 176.91 178.52 2buj h MET 229 N 0.70 0.01 0.00 1.72 2.07 -0.80 -3.39 114.93 115.25 2buj h MET 229 Ca 0.10 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.71 2buj h MET 229 Cb 0.71 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.45 2buj h MET 229 CO 0.05 0.84 -0.22 1.19 1.07 0.00 0.00 176.91 179.85 2buj n PHE 230 N -3.56 0.00 -0.63 -0.22 3.01 0.14 -5.01 117.46 111.20 2buj n PHE 230 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2buj n PHE 230 Cb 0.80 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.27 2buj n PHE 230 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2buj n GLY 231 N 1.11 0.77 3.53 1.37 0.00 0.68 -5.02 105.19 107.63 2buj n GLY 231 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2buj n GLY 231 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2buj s GLU 232 N -0.37 0.84 0.70 1.61 -1.05 -1.18 -4.87 118.70 114.38 2buj s GLU 232 Ca 0.00 0.05 -0.17 0.00 -0.15 0.00 0.00 54.97 54.71 2buj s GLU 232 Cb 0.00 0.39 0.02 0.00 -0.44 0.00 0.00 34.13 34.10 2buj s GLU 232 CO 0.00 -0.29 1.22 0.41 0.95 0.00 0.00 175.26 177.55 2buj n GLY 233 N 0.53 0.26 0.13 -3.83 0.00 -1.26 -3.74 105.19 97.28 2buj n GLY 233 Ca -0.13 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.75 2buj n GLY 233 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2buj n PRO 234 N -2.24 0.22 -0.09 1.61 -0.04 -1.26 -2.65 135.00 130.55 2buj n PRO 234 Ca 0.15 0.38 0.03 0.00 -0.04 0.00 0.00 63.50 64.01 2buj n PRO 234 Cb 0.49 -1.87 0.07 0.00 -0.04 0.00 0.00 33.50 32.15 2buj n PRO 234 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2buj n TYR 235 N -2.29 0.22 -0.05 0.54 4.02 -1.26 -4.81 117.16 113.53 2buj n TYR 235 Ca 0.03 -0.51 -0.11 0.00 -0.01 0.00 0.00 57.90 57.30 2buj n TYR 235 Cb 0.29 -0.04 -0.06 0.00 -0.02 0.00 0.00 39.34 39.51 2buj n TYR 235 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 2buj h ASP 236 N 0.95 0.25 -0.62 7.72 5.19 -1.85 -1.52 116.42 126.53 2buj h ASP 236 Ca 0.00 -0.25 -0.02 0.00 -0.62 0.00 0.00 57.03 56.14 2buj h ASP 236 Cb 0.62 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.03 2buj h ASP 236 CO 0.00 0.44 0.32 0.24 -3.12 0.00 0.00 179.24 177.12 2buj h MET 237 N 0.05 0.91 -0.48 3.56 2.86 -1.87 -1.53 114.93 118.41 2buj h MET 237 Ca 0.05 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2buj h MET 237 Cb 0.29 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2buj h MET 237 CO 0.00 0.69 0.16 0.28 1.06 0.00 0.00 176.91 179.11 2buj h VAL 238 N 0.91 1.22 -0.12 -2.22 2.07 -1.86 -0.42 116.25 115.83 2buj h VAL 238 Ca 0.23 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2buj h VAL 238 Cb 0.08 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2buj h VAL 238 CO -0.03 0.27 -0.00 0.15 0.02 0.00 0.00 177.57 177.98 2buj h PHE 239 N 0.64 0.23 -0.65 1.57 3.57 -0.96 -1.44 116.94 119.90 2buj h PHE 239 Ca 0.16 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.64 2buj h PHE 239 Cb 0.25 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 2buj h PHE 239 CO 0.01 0.45 0.42 1.96 -2.23 0.00 0.00 178.31 178.93 2buj h GLN 240 N -0.06 0.81 0.00 1.11 4.20 -1.27 -2.08 115.11 117.82 2buj h GLN 240 Ca 0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2buj h GLN 240 Cb 0.36 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2buj h GLN 240 CO 0.01 0.54 0.00 1.63 -0.67 0.00 0.00 178.83 180.33 2buj n LYS 241 N -4.67 0.11 -0.77 1.46 5.02 -0.17 -4.85 118.16 114.29 2buj n LYS 241 Ca 0.06 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 2buj n LYS 241 Cb 0.05 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2buj n LYS 241 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2buj n GLY 242 N -0.43 0.95 3.82 0.72 0.00 -0.78 -5.03 105.19 104.44 2buj n GLY 242 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2buj n GLY 242 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2buj s ASP 243 N -3.02 3.52 -0.21 1.61 1.01 -0.56 -4.98 116.67 114.04 2buj s ASP 243 Ca 0.00 0.82 -0.29 0.00 0.71 0.00 0.00 52.55 53.79 2buj s ASP 243 Cb 0.00 -1.30 0.01 0.00 1.01 0.00 0.00 42.92 42.64 2buj s ASP 243 CO 0.00 -2.53 1.02 -0.55 0.21 0.00 0.00 175.17 173.32 2buj s SER 244 N -4.24 7.11 0.08 0.27 0.15 -1.26 -4.49 113.70 111.32 2buj s SER 244 Ca 0.65 1.38 -0.14 0.00 0.70 0.00 0.00 55.95 58.55 2buj s SER 244 Cb -0.12 -2.54 -0.20 0.00 -1.71 0.00 0.00 66.02 61.45 2buj s SER 244 CO 0.52 -0.63 1.24 0.58 1.20 0.00 0.00 173.24 176.15 2buj h VAL 245 N 5.39 1.28 -0.88 4.45 2.07 -1.94 -2.92 116.25 123.71 2buj h VAL 245 Ca -0.21 -2.13 0.20 0.00 0.82 0.00 0.00 66.70 65.38 2buj h VAL 245 Cb 1.08 2.22 -0.12 0.00 -1.52 0.00 0.00 31.29 32.95 2buj h VAL 245 CO 0.95 0.67 0.39 0.00 0.02 0.00 0.00 177.57 179.60 2buj h ALA 246 N 0.46 1.37 0.10 1.67 0.00 -1.91 0.21 119.26 121.15 2buj h ALA 246 Ca -0.10 0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.69 2buj h ALA 246 Cb 1.57 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2buj h ALA 246 CO 0.19 -0.28 -1.22 -0.07 0.00 0.00 0.00 179.25 177.87 2buj h LEU 247 N 0.45 0.32 -0.69 0.00 3.38 -1.98 -3.14 115.31 113.64 2buj h LEU 247 Ca 0.53 -0.35 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 2buj h LEU 247 Cb 0.94 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2buj h LEU 247 CO -0.49 1.28 -0.38 0.00 0.09 0.00 0.00 178.44 178.94 2buj h ALA 248 N 0.67 0.87 -0.23 1.53 0.00 -1.14 -3.06 119.26 117.91 2buj h ALA 248 Ca -0.12 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 2buj h ALA 248 Cb 1.93 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2buj h ALA 248 CO 0.18 0.64 -0.42 0.28 0.00 0.00 0.00 179.25 179.93 2buj h VAL 249 N 0.48 1.30 0.00 0.00 2.07 -0.70 -2.91 116.25 116.49 2buj h VAL 249 Ca 0.05 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.97 2buj h VAL 249 Cb 0.88 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2buj h VAL 249 CO 0.08 0.50 0.00 1.56 0.02 0.00 0.00 177.57 179.73 2buj h GLN 250 N 0.45 0.00 -6.46 1.57 1.08 -1.48 -3.43 115.11 106.83 2buj h GLN 250 Ca 0.04 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.79 2buj h GLN 250 Cb 0.92 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.37 2buj h GLN 250 CO 0.08 0.00 -0.23 -0.80 -0.95 0.00 0.00 178.83 176.93 2buj s ASN 251 N -5.41 5.45 -0.11 1.46 0.01 -1.10 -5.08 114.94 110.17 2buj s ASN 251 Ca -0.01 -0.57 -0.29 0.00 -0.71 0.00 0.00 52.86 51.28 2buj s ASN 251 Cb 0.10 -0.39 0.07 0.00 0.41 0.00 0.00 41.25 41.44 2buj s ASN 251 CO 0.49 -0.90 0.68 -1.58 -1.51 0.00 0.00 177.10 174.28 2buj s GLN 252 N -4.41 0.99 0.00 -0.60 0.74 -1.26 -4.94 119.66 110.18 2buj s GLN 252 Ca 0.56 0.45 0.00 0.00 0.05 0.00 0.00 55.36 56.41 2buj s GLN 252 Cb -0.08 0.47 0.00 0.00 1.10 0.00 0.00 33.01 34.50 2buj s GLN 252 CO 0.34 -0.27 0.00 1.28 -0.55 0.00 0.00 175.29 176.09 2buj n LEU 253 N 1.39 0.00 0.00 3.68 4.77 -1.26 -5.21 117.00 120.37 2buj n LEU 253 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2buj n LEU 253 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2buj n LEU 253 CO 0.18 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.04 2buj n SER 258 N 0.00 0.00 0.00 -1.43 7.64 -1.26 -5.08 113.62 113.49 2buj n SER 258 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2buj n SER 258 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2buj n SER 258 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2buj n PRO 259 N 0.00 0.00 0.10 1.43 -0.02 -1.26 -0.67 135.00 134.58 2buj n PRO 259 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 2buj n PRO 259 Cb 0.00 -1.50 0.45 0.00 -0.02 0.00 0.00 33.50 32.43 2buj n PRO 259 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2buj n ARG 260 N -0.66 0.20 -4.28 -0.52 0.63 -1.26 -4.82 116.66 105.94 2buj n ARG 260 Ca 0.00 0.29 -0.22 0.00 -0.92 0.00 0.00 57.85 56.99 2buj n ARG 260 Cb 0.00 -1.79 -0.12 0.00 0.45 0.00 0.00 32.46 31.00 2buj n ARG 260 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2buj s HIS 261 N -3.18 1.72 1.01 -0.14 3.76 0.15 -4.95 115.29 113.66 2buj s HIS 261 Ca 0.08 -0.44 -0.12 0.00 -0.15 0.00 0.00 55.06 54.43 2buj s HIS 261 Cb 0.11 -0.92 0.20 0.00 1.11 0.00 0.00 32.58 33.08 2buj s HIS 261 CO 0.49 0.22 1.08 -1.54 -0.85 0.00 0.00 174.74 174.13 2buj s SER 262 N -2.10 2.34 0.26 1.40 1.04 -1.26 -4.85 113.70 110.52 2buj s SER 262 Ca 0.08 1.63 0.03 0.00 0.48 0.00 0.00 55.95 58.17 2buj s SER 262 Cb -0.09 -2.28 0.32 0.00 0.10 0.00 0.00 66.02 64.07 2buj s SER 262 CO 0.04 -3.37 1.63 0.28 0.98 0.00 0.00 173.24 172.80 2buj h SER 263 N -2.05 0.37 -0.64 7.02 0.02 -1.99 -2.86 113.55 113.41 2buj h SER 263 Ca -0.53 -0.17 0.12 0.00 -0.84 0.00 0.00 61.79 60.37 2buj h SER 263 Cb 1.30 -0.10 -0.12 0.00 0.14 0.00 0.00 62.40 63.62 2buj h SER 263 CO 0.50 0.78 -0.27 0.00 -1.14 0.00 0.00 176.83 176.70 2buj h ALA 264 N 1.24 0.16 -0.58 3.77 0.00 -1.99 0.33 119.26 122.18 2buj h ALA 264 Ca 0.02 0.21 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2buj h ALA 264 Cb 0.92 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2buj h ALA 264 CO 0.08 -0.57 -0.03 -0.07 0.00 0.00 0.00 179.25 178.65 2buj h LEU 265 N -0.10 1.04 -0.51 0.00 3.38 -1.91 -2.15 115.31 115.06 2buj h LEU 265 Ca 0.28 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2buj h LEU 265 Cb 0.54 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2buj h LEU 265 CO -0.70 1.11 0.32 -0.25 0.09 0.00 0.00 178.44 179.01 2buj h TRP 266 N 0.94 0.61 -0.68 1.13 7.01 -1.01 -1.19 115.95 122.77 2buj h TRP 266 Ca 0.16 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 2buj h TRP 266 Cb 0.60 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.42 2buj h TRP 266 CO 0.04 0.37 0.38 1.96 -2.79 0.00 0.00 178.44 178.40 2buj h GLN 267 N 0.66 0.94 -0.34 2.65 4.20 -0.33 -1.01 115.11 121.87 2buj h GLN 267 Ca 0.20 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.82 2buj h GLN 267 Cb -0.04 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 2buj h GLN 267 CO -0.06 0.69 0.20 -0.07 -0.67 0.00 0.00 178.83 178.92 2buj h LEU 268 N 0.92 0.31 0.06 1.46 3.38 -1.09 -0.86 115.31 119.49 2buj h LEU 268 Ca 0.24 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2buj h LEU 268 Cb 0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2buj h LEU 268 CO -0.04 0.23 -0.04 0.25 0.09 0.00 0.00 178.44 178.93 2buj h LEU 269 N 0.40 -0.11 -1.52 1.67 5.85 -1.01 -1.81 115.31 118.78 2buj h LEU 269 Ca 0.14 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2buj h LEU 269 Cb 0.01 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2buj h LEU 269 CO -0.07 -0.07 0.18 0.78 -0.34 0.00 0.00 178.44 178.93 2buj h ASN 270 N -0.10 0.45 -0.12 1.25 2.35 -0.97 -2.21 115.58 116.22 2buj h ASN 270 Ca -0.00 -0.03 -0.21 0.00 -0.55 0.00 0.00 56.30 55.50 2buj h ASN 270 Cb 0.09 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.36 2buj h ASN 270 CO -0.00 0.38 -0.76 0.77 -1.65 0.00 0.00 177.43 176.16 2buj h SER 271 N 0.51 0.87 -0.40 5.81 4.64 -0.81 -3.16 113.55 121.01 2buj h SER 271 Ca 0.13 -0.65 -0.07 0.00 -0.47 0.00 0.00 61.79 60.73 2buj h SER 271 Cb 0.04 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 2buj h SER 271 CO -0.02 1.39 -0.04 0.24 -0.87 0.00 0.00 176.83 177.53 2buj h MET 272 N 0.43 0.73 -2.10 4.77 2.86 -1.21 -3.05 114.93 117.37 2buj h MET 272 Ca -0.06 -0.26 -0.52 0.00 -2.06 0.00 0.00 59.70 56.80 2buj h MET 272 Cb 1.40 -0.06 -0.16 0.00 0.06 0.00 0.00 31.60 32.84 2buj h MET 272 CO 0.16 0.84 0.66 -1.33 1.06 0.00 0.00 176.91 178.31 2buj n MET 273 N -4.40 2.71 -3.44 1.72 2.00 -0.84 -4.17 117.12 110.71 2buj n MET 273 Ca -0.01 -2.44 -0.38 0.00 0.00 0.00 0.00 57.70 54.87 2buj n MET 273 Cb 0.32 -2.21 -0.06 0.00 0.00 0.00 0.00 33.22 31.27 2buj n MET 273 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2buj s THR 274 N -1.90 4.99 0.01 2.03 -4.23 -1.15 -4.89 115.64 110.50 2buj s THR 274 Ca 0.59 0.93 -0.19 0.00 -1.18 0.00 0.00 61.69 61.84 2buj s THR 274 Cb 0.35 -3.76 -0.26 0.00 1.34 0.00 0.00 72.50 70.17 2buj s THR 274 CO -0.19 0.55 1.06 0.58 -0.54 0.00 0.00 174.62 176.08 2buj h VAL 275 N 3.78 1.40 -2.89 2.29 2.07 -1.93 -3.42 116.25 117.55 2buj h VAL 275 Ca -0.50 -2.27 -0.57 0.00 0.82 0.00 0.00 66.70 64.18 2buj h VAL 275 Cb 1.21 2.73 -0.03 0.00 -1.52 0.00 0.00 31.29 33.68 2buj h VAL 275 CO 0.63 0.67 1.12 -0.62 0.02 0.00 0.00 177.57 179.39 2buj s ASP 276 N -6.99 6.35 0.38 0.57 3.68 -1.26 -4.73 116.67 114.66 2buj s ASP 276 Ca -0.12 1.38 0.28 0.00 2.13 0.00 0.00 52.55 56.22 2buj s ASP 276 Cb 0.04 -2.53 1.18 0.00 -1.45 0.00 0.00 42.92 40.16 2buj s ASP 276 CO 0.86 -1.32 1.83 1.55 0.13 0.00 0.00 175.17 178.21 2buj h PRO 277 N 10.81 0.00 0.00 4.34 0.13 -1.96 -1.89 132.00 143.43 2buj h PRO 277 Ca -0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2buj h PRO 277 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2buj h PRO 277 CO 1.02 0.00 -0.00 1.25 -0.23 0.00 0.00 178.00 180.04 2buj h HIS 278 N 0.00 0.00 -0.20 1.56 2.76 -1.96 -2.83 115.15 114.48 2buj h HIS 278 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2buj h HIS 278 Cb 0.37 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.33 2buj h HIS 278 CO 0.00 0.00 0.00 1.04 -1.30 0.00 0.00 177.93 177.67 2buj n GLN 279 N -3.09 1.80 -3.12 5.26 1.13 -0.72 -4.98 117.38 113.66 2buj n GLN 279 Ca 0.01 -1.67 -0.38 0.00 -1.94 0.00 0.00 57.00 53.02 2buj n GLN 279 Cb 0.34 -1.26 -0.06 0.00 0.11 0.00 0.00 30.24 29.38 2buj n GLN 279 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2buj s ARG 280 N -1.00 4.36 0.67 -1.09 3.52 -1.07 -4.97 118.95 119.37 2buj s ARG 280 Ca 0.20 0.93 -0.13 0.00 -0.13 0.00 0.00 55.73 56.60 2buj s ARG 280 Cb 0.11 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 2buj s ARG 280 CO 0.16 0.56 1.07 -1.25 -0.81 0.00 0.00 175.30 175.04 2buj s PRO 281 N -1.30 2.91 0.65 5.12 0.04 -1.26 -5.03 135.00 136.12 2buj s PRO 281 Ca 0.34 1.15 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 2buj s PRO 281 Cb -0.20 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.40 2buj s PRO 281 CO 0.22 -1.14 0.93 -1.01 0.04 0.00 0.00 177.00 176.05 2buj s HIS 282 N -2.70 2.93 0.17 0.56 3.76 -1.26 -4.91 115.29 113.83 2buj s HIS 282 Ca 0.62 0.32 -0.12 0.00 -0.15 0.00 0.00 55.06 55.73 2buj s HIS 282 Cb -0.16 -3.02 0.06 0.00 1.11 0.00 0.00 32.58 30.57 2buj s HIS 282 CO 0.47 -1.19 1.69 0.82 -0.85 0.00 0.00 174.74 175.68 2buj h ILE 283 N -0.36 1.24 -0.67 0.60 5.03 -1.97 -2.85 117.51 118.53 2buj h ILE 283 Ca -0.44 -0.82 0.13 0.00 -0.12 0.00 0.00 64.86 63.62 2buj h ILE 283 Cb 1.31 0.68 -0.10 0.00 -3.03 0.00 0.00 36.82 35.68 2buj h ILE 283 CO 0.58 0.31 0.17 -0.65 -0.68 0.00 0.00 178.15 177.87 2buj h PRO 284 N 0.81 0.28 -0.32 2.37 0.11 -1.98 0.71 132.00 133.99 2buj h PRO 284 Ca 0.19 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 2buj h PRO 284 Cb 0.29 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2buj h PRO 284 CO -0.01 0.18 0.10 1.25 -0.21 0.00 0.00 178.00 179.32 2buj h LEU 285 N 0.29 0.46 -0.26 2.35 5.85 -1.93 -2.01 115.31 120.06 2buj h LEU 285 Ca 0.36 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.91 2buj h LEU 285 Cb 0.57 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2buj h LEU 285 CO -0.44 0.53 0.09 -0.07 -0.34 0.00 0.00 178.44 178.22 2buj h LEU 286 N 0.35 0.11 -0.95 2.25 3.38 -1.17 -2.19 115.31 117.10 2buj h LEU 286 Ca 0.10 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.22 2buj h LEU 286 Cb 0.24 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 2buj h LEU 286 CO -0.00 0.10 0.57 -0.07 0.09 0.00 0.00 178.44 179.13 2buj h LEU 287 N 0.22 0.82 -0.57 1.67 3.38 -0.71 0.42 115.31 120.55 2buj h LEU 287 Ca 0.11 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2buj h LEU 287 Cb 0.07 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 2buj h LEU 287 CO -0.11 0.43 0.22 0.28 0.09 0.00 0.00 178.44 179.35 2buj h SER 288 N 0.90 0.25 -0.01 -0.43 0.02 -0.75 0.23 113.55 113.75 2buj h SER 288 Ca 0.47 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.49 2buj h SER 288 Cb 0.49 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 2buj h SER 288 CO -0.28 0.16 -0.00 1.56 -1.14 0.00 0.00 176.83 177.13 2buj h GLN 289 N 0.42 0.02 -0.88 3.45 4.20 -0.97 -2.30 115.11 119.05 2buj h GLN 289 Ca 0.28 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.05 2buj h GLN 289 Cb 0.30 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.02 2buj h GLN 289 CO -0.26 0.44 0.57 -0.07 -0.67 0.00 0.00 178.83 178.84 2buj h LEU 290 N -0.40 0.84 -0.56 1.46 3.38 -0.86 -2.68 115.31 116.49 2buj h LEU 290 Ca 0.00 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2buj h LEU 290 Cb 0.43 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2buj h LEU 290 CO 0.00 0.53 -0.00 -0.33 0.09 0.00 0.00 178.44 178.73 2buj h GLU 291 N 0.95 0.99 -0.43 1.13 5.08 -0.75 -1.29 114.58 120.25 2buj h GLU 291 Ca 0.39 -0.31 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2buj h GLU 291 Cb 0.27 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2buj h GLU 291 CO -0.15 0.99 0.29 0.00 -1.00 0.00 0.00 179.01 179.14 2buj h ALA 292 N 0.96 2.04 0.00 3.43 0.00 -1.22 -3.14 119.26 121.33 2buj h ALA 292 Ca 0.16 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 2buj h ALA 292 Cb 0.54 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2buj h ALA 292 CO 0.03 -0.12 -1.20 -0.07 0.00 0.00 0.00 179.25 177.88 2buj h LEU 293 N 0.29 0.00 -7.24 0.00 3.38 -1.10 -3.41 115.31 107.22 2buj h LEU 293 Ca 0.19 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.96 2buj h LEU 293 Cb 0.40 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.84 2buj h LEU 293 CO -0.04 0.58 -0.50 -1.58 0.09 0.00 0.00 178.44 176.99 2buj s GLN 294 N -2.92 0.18 0.36 1.13 2.00 -0.54 -3.41 119.66 116.47 2buj s GLN 294 Ca -0.01 0.71 -0.27 0.00 -2.00 0.00 0.00 55.36 53.78 2buj s GLN 294 Cb 0.08 -0.04 -0.09 0.00 0.80 0.00 0.00 33.01 33.76 2buj s GLN 294 CO 0.80 -0.24 1.21 -1.25 -0.50 0.00 0.00 175.29 175.31 2buj s PRO 295 N 2.06 4.25 0.53 1.67 0.04 -1.26 -4.52 135.00 137.77 2buj s PRO 295 Ca -0.02 1.98 -0.08 0.00 0.04 0.00 0.00 61.00 62.92 2buj s PRO 295 Cb -0.11 -2.90 0.12 0.00 0.04 0.00 0.00 34.50 31.64 2buj s PRO 295 CO -0.09 -0.20 0.73 -0.35 0.04 0.00 0.00 177.00 177.13 2buj n PRO 296 N 0.52 -0.64 0.00 0.56 -0.04 -1.22 -4.90 135.00 129.29 2buj n PRO 296 Ca 0.02 -1.19 0.06 0.00 -0.04 0.00 0.00 63.50 62.35 2buj n PRO 296 Cb 0.44 -0.73 0.05 0.00 -0.04 0.00 0.00 33.50 33.23 2buj n PRO 296 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46