#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bsi h GLN 2 N 0.00 0.89 -0.35 1.61 5.75 -1.97 -1.93 115.11 119.11 2bsi h GLN 2 Ca 0.00 -0.20 -0.05 0.00 -0.15 0.00 0.00 58.65 58.25 2bsi h GLN 2 Cb 0.00 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 2bsi h GLN 2 CO 0.00 0.82 0.04 1.15 -2.65 0.00 0.00 178.83 178.19 2bsi h THR 3 N 0.85 1.24 -0.92 2.39 2.02 -1.98 0.91 112.91 117.43 2bsi h THR 3 Ca 0.18 -0.88 0.06 0.00 0.77 0.00 0.00 66.41 66.54 2bsi h THR 3 Cb 0.35 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 2bsi h THR 3 CO 0.00 0.29 0.60 0.74 0.37 0.00 0.00 175.52 177.53 2bsi h THR 4 N 0.42 1.08 -0.13 3.16 2.02 -1.98 0.16 112.91 117.65 2bsi h THR 4 Ca 0.10 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 2bsi h THR 4 Cb 0.39 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2bsi h THR 4 CO 0.01 0.19 -0.07 0.15 0.37 0.00 0.00 175.52 176.17 2bsi h PHE 5 N 1.06 0.31 -0.28 3.16 3.57 -1.06 -0.59 116.94 123.11 2bsi h PHE 5 Ca 0.39 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 2bsi h PHE 5 Cb 0.18 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2bsi h PHE 5 CO -0.00 0.62 0.08 1.15 -2.23 0.00 0.00 178.31 177.92 2bsi h THR 6 N -0.08 1.21 -0.30 4.41 2.02 -0.61 -2.41 112.91 117.14 2bsi h THR 6 Ca 0.03 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 2bsi h THR 6 Cb 0.54 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 2bsi h THR 6 CO 0.02 0.22 0.02 1.05 0.37 0.00 0.00 175.52 177.21 2bsi h GLU 7 N 0.29 0.45 -0.65 6.66 4.11 -0.73 -1.24 114.58 123.48 2bsi h GLU 7 Ca 0.09 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2bsi h GLU 7 Cb 0.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2bsi h GLU 7 CO -0.00 0.46 0.00 -0.11 0.07 0.00 0.00 179.01 179.43 2bsi n LEU 8 N -4.32 0.41 0.00 3.06 7.94 -0.23 -1.77 117.00 122.09 2bsi n LEU 8 Ca 0.01 -0.21 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 2bsi n LEU 8 Cb 0.21 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.03 2bsi n LEU 8 CO 0.38 0.09 0.00 0.00 -1.11 0.00 0.00 177.39 176.74 2bsi n GLN 10 N 0.49 0.00 -0.12 1.96 6.02 -0.47 -1.20 117.38 124.06 2bsi n GLN 10 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 2bsi n GLN 10 Cb 0.09 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.33 2bsi n GLN 10 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2bsi h GLN 11 N 0.00 0.54 0.31 -1.09 4.20 -1.62 -2.69 115.11 114.76 2bsi h GLN 11 Ca 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2bsi h GLN 11 Cb 0.00 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 2bsi h GLN 11 CO 0.00 0.49 -0.42 1.25 -0.67 0.00 0.00 178.83 179.47 2bsi h LEU 12 N 0.46 -1.19 -1.59 1.46 5.85 -1.43 -0.33 115.31 118.53 2bsi h LEU 12 Ca 0.13 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 2bsi h LEU 12 Cb 0.13 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2bsi h LEU 12 CO -0.01 -0.55 -0.17 -0.26 -0.34 0.00 0.00 178.44 177.11 2bsi h PHE 13 N -0.79 0.04 -0.20 1.25 0.04 -1.82 0.72 116.94 116.18 2bsi h PHE 13 Ca -0.02 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 2bsi h PHE 13 Cb 0.73 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 2bsi h PHE 13 CO -0.28 0.22 -0.01 -0.07 -0.60 0.00 0.00 178.31 177.57 2bsi h LEU 14 N 0.04 0.35 -0.59 1.54 3.38 -1.35 -0.53 115.31 118.15 2bsi h LEU 14 Ca 0.01 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 2bsi h LEU 14 Cb 0.33 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2bsi h LEU 14 CO 0.02 0.58 0.05 0.50 0.09 0.00 0.00 178.44 179.69 2bsi h LYS 15 N 0.11 1.01 0.00 1.13 3.64 -0.49 -2.77 116.57 119.21 2bsi h LYS 15 Ca 0.06 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2bsi h LYS 15 Cb 0.41 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2bsi h LYS 15 CO 0.01 0.98 0.00 -0.07 -2.27 0.00 0.00 179.45 178.10 2bsi h LEU 16 N 0.91 0.00 -1.67 5.20 3.38 -0.88 -3.48 115.31 118.78 2bsi h LEU 16 Ca 0.17 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.69 2bsi h LEU 16 Cb 0.49 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.25 2bsi h LEU 16 CO 0.02 0.00 -0.83 0.61 0.09 0.00 0.00 178.44 178.33 2bsi n GLY 17 N 0.32 -0.31 3.05 0.83 0.00 -0.22 -4.99 105.19 103.88 2bsi n GLY 17 Ca 0.02 0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2bsi n GLY 17 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bsi s LEU 18 N -6.85 1.70 0.34 0.99 2.96 -1.16 -5.08 118.68 111.58 2bsi s LEU 18 Ca 0.13 -0.36 -0.28 0.00 -0.22 0.00 0.00 54.13 53.40 2bsi s LEU 18 Cb -0.06 -0.95 -0.12 0.00 0.50 0.00 0.00 46.19 45.55 2bsi s LEU 18 CO 0.84 0.04 1.26 0.59 -1.32 0.00 0.00 176.35 177.76 2bsi n ASN 19 N 3.88 2.61 -3.92 3.68 3.02 -1.26 -4.90 115.26 118.36 2bsi n ASN 19 Ca -0.21 1.20 -0.09 0.00 -0.03 0.00 0.00 54.58 55.45 2bsi n ASN 19 Cb 0.52 -1.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.16 2bsi n ASN 19 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2bsi s HIS 20 N -1.09 0.29 0.20 3.10 -3.43 -1.26 -4.59 115.29 108.51 2bsi s HIS 20 Ca 0.56 -0.64 0.10 0.00 -0.80 0.00 0.00 55.06 54.28 2bsi s HIS 20 Cb -0.58 0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 30.61 2bsi s HIS 20 CO 0.62 -0.82 -0.20 -0.65 -2.00 0.00 0.00 174.74 171.68 2bsi s GLN 21 N -3.96 1.46 -0.06 -0.38 -0.21 -0.07 -4.99 119.66 111.45 2bsi s GLN 21 Ca 0.17 -1.55 0.00 0.00 0.02 0.00 0.00 55.36 54.00 2bsi s GLN 21 Cb 0.02 -1.59 0.02 0.00 1.00 0.00 0.00 33.01 32.46 2bsi s GLN 21 CO 0.02 0.32 -0.03 0.08 -2.12 0.00 0.00 175.29 173.55 2bsi s VAL 22 N -2.11 0.56 0.68 1.09 1.01 -1.26 -0.54 120.40 119.83 2bsi s VAL 22 Ca 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 2bsi s VAL 22 Cb -0.06 -0.63 0.14 0.00 0.00 0.00 0.00 36.38 35.84 2bsi s VAL 22 CO 0.10 0.26 0.93 -0.46 0.00 0.00 0.00 175.10 175.93 2bsi n ASN 23 N 4.53 0.92 0.27 3.32 0.23 -0.79 -4.95 115.26 118.79 2bsi n ASN 23 Ca -0.17 -1.85 0.11 0.00 -0.53 0.00 0.00 54.58 52.14 2bsi n ASN 23 Cb 0.50 -0.63 0.73 0.00 -2.08 0.00 0.00 39.78 38.30 2bsi n ASN 23 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2bsi h GLU 24 N 0.00 0.00 -0.06 -3.83 9.09 -2.02 -2.30 114.58 115.46 2bsi h GLU 24 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.10 2bsi h GLU 24 Cb 1.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 2bsi h GLU 24 CO 0.30 0.06 0.00 0.09 0.05 0.00 0.00 179.01 179.51 2bsi n ASN 25 N -4.07 0.06 -2.41 3.06 3.02 -1.26 -4.91 115.26 108.74 2bsi n ASN 25 Ca -0.03 -1.97 -0.17 0.00 -0.03 0.00 0.00 54.58 52.39 2bsi n ASN 25 Cb 0.15 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.28 2bsi n ASN 25 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2bsi n ASP 26 N -0.47 -5.00 -4.66 6.41 8.00 -0.87 -4.92 116.55 115.04 2bsi n ASP 26 Ca 0.00 0.08 -0.40 0.00 0.71 0.00 0.00 54.79 55.18 2bsi n ASP 26 Cb 0.01 -4.20 -0.06 0.00 -0.02 0.00 0.00 41.12 36.86 2bsi n ASP 26 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bsi s VAL 27 N -2.85 5.04 -0.17 2.53 1.01 -1.26 -4.53 120.40 120.17 2bsi s VAL 27 Ca 0.00 1.15 -0.13 0.00 0.00 0.00 0.00 61.98 63.00 2bsi s VAL 27 Cb 0.00 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2bsi s VAL 27 CO 0.00 0.13 0.26 -0.31 0.00 0.00 0.00 175.10 175.18 2bsi s TYR 28 N 1.84 3.45 -0.06 5.22 1.51 0.11 -1.89 117.35 127.53 2bsi s TYR 28 Ca 0.28 0.54 0.04 0.00 -1.01 0.00 0.00 57.07 56.92 2bsi s TYR 28 Cb -0.16 -2.31 -0.02 0.00 -0.11 0.00 0.00 41.96 39.37 2bsi s TYR 28 CO 0.10 0.25 -0.17 0.99 -1.11 0.00 0.00 175.55 175.61 2bsi s THR 29 N 0.45 2.81 0.16 -0.71 2.01 0.30 0.14 115.64 120.80 2bsi s THR 29 Ca 0.15 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.26 2bsi s THR 29 Cb -0.13 -2.09 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 2bsi s THR 29 CO 0.03 0.58 0.26 0.72 -0.69 0.00 0.00 174.62 175.52 2bsi s PHE 30 N -0.48 0.44 -0.07 4.92 -0.71 -0.71 -0.89 117.98 120.48 2bsi s PHE 30 Ca 0.06 -0.80 0.04 0.00 -1.04 0.00 0.00 56.93 55.18 2bsi s PHE 30 Cb -0.12 -0.10 0.00 0.00 -1.21 0.00 0.00 43.02 41.60 2bsi s PHE 30 CO 0.01 -0.70 -0.19 -2.00 -1.34 0.00 0.00 175.22 171.00 2bsi s GLU 31 N -3.97 2.32 -0.01 1.99 2.12 -1.26 -0.83 118.70 119.06 2bsi s GLU 31 Ca 0.18 -0.69 0.04 0.00 0.36 0.00 0.00 54.97 54.86 2bsi s GLU 31 Cb 0.04 -1.86 -0.03 0.00 0.26 0.00 0.00 34.13 32.54 2bsi s GLU 31 CO 0.00 0.17 -0.12 0.14 -0.54 0.00 0.00 175.26 174.92 2bsi s VAL 32 N 0.30 3.27 -1.51 3.70 -7.23 0.88 -4.71 120.40 115.10 2bsi s VAL 32 Ca -0.13 -0.83 -0.10 0.00 -1.81 0.00 0.00 61.98 59.11 2bsi s VAL 32 Cb -0.15 -2.36 0.07 0.00 0.56 0.00 0.00 36.38 34.50 2bsi s VAL 32 CO 0.05 0.46 0.80 0.47 -0.31 0.00 0.00 175.10 176.57 2bsi n ASP 33 N 1.84 -3.10 -1.60 4.85 8.00 -1.26 -0.87 116.55 124.41 2bsi n ASP 33 Ca -0.16 -0.88 -0.05 0.00 0.71 0.00 0.00 54.79 54.41 2bsi n ASP 33 Cb 0.52 -3.53 -0.01 0.00 -0.02 0.00 0.00 41.12 38.08 2bsi n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bsi n GLY 34 N -1.66 0.13 0.00 0.44 0.00 -1.26 -4.41 105.19 98.43 2bsi n GLY 34 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2bsi n GLY 34 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2bsi n HIS 35 N -1.85 0.00 -2.69 1.61 1.44 -1.03 -5.05 115.22 107.66 2bsi n HIS 35 Ca -0.05 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.24 2bsi n HIS 35 Cb 0.29 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.37 2bsi n HIS 35 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2bsi s ILE 36 N -1.00 4.04 -0.19 0.61 1.01 -0.05 -4.91 121.20 120.72 2bsi s ILE 36 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.65 2bsi s ILE 36 Cb 0.00 -4.77 -0.02 0.00 0.01 0.00 0.00 42.46 37.68 2bsi s ILE 36 CO 0.00 -1.56 0.67 -1.58 0.00 0.00 0.00 174.94 172.47 2bsi s GLN 37 N 4.86 4.24 -0.09 2.79 0.74 -1.26 -0.08 119.66 130.86 2bsi s GLN 37 Ca 0.31 0.71 0.02 0.00 0.05 0.00 0.00 55.36 56.45 2bsi s GLN 37 Cb -0.11 -3.57 -0.02 0.00 1.10 0.00 0.00 33.01 30.41 2bsi s GLN 37 CO 0.15 -0.24 -0.13 0.08 -0.55 0.00 0.00 175.29 174.60 2bsi s VAL 38 N 1.89 3.11 -0.06 1.34 1.01 -0.01 -4.31 120.40 123.39 2bsi s VAL 38 Ca 0.31 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.66 2bsi s VAL 38 Cb -0.16 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 2bsi s VAL 38 CO 0.11 0.56 -0.19 -0.76 0.00 0.00 0.00 175.10 174.82 2bsi s LEU 39 N -0.23 2.44 -0.08 3.92 1.02 -0.22 -1.74 118.68 123.79 2bsi s LEU 39 Ca 0.01 -0.34 0.02 0.00 0.02 0.00 0.00 54.13 53.85 2bsi s LEU 39 Cb -0.13 -1.48 0.01 0.00 0.02 0.00 0.00 46.19 44.61 2bsi s LEU 39 CO 0.03 0.29 -0.15 -0.63 0.02 0.00 0.00 176.35 175.92 2bsi s ILE 40 N -0.43 1.37 0.03 -0.59 1.01 0.12 -0.89 121.20 121.82 2bsi s ILE 40 Ca 0.05 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2bsi s ILE 40 Cb -0.12 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 2bsi s ILE 40 CO 0.02 0.41 -0.05 0.00 0.00 0.00 0.00 174.94 175.31 2bsi s ALA 41 N 0.71 0.38 -0.24 9.38 0.00 -0.43 0.04 121.76 131.61 2bsi s ALA 41 Ca -0.13 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 2bsi s ALA 41 Cb -0.16 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 2bsi s ALA 41 CO 0.03 -0.10 0.03 0.00 0.00 0.00 0.00 175.76 175.72 2bsi s TYR 43 N 1.55 3.28 -1.06 0.00 1.51 0.05 -4.54 117.35 118.13 2bsi s TYR 43 Ca 0.06 0.11 0.00 0.00 -1.01 0.00 0.00 57.07 56.23 2bsi s TYR 43 Cb -0.15 -2.16 0.00 0.00 -0.11 0.00 0.00 41.96 39.54 2bsi s TYR 43 CO 0.01 0.10 0.00 0.72 -1.11 0.00 0.00 175.55 175.27 2bsi n HIS 44 N 3.87 -0.46 -2.10 2.71 8.25 -1.26 -1.70 115.22 124.53 2bsi n HIS 44 Ca -0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.17 2bsi n HIS 44 Cb 0.52 -2.60 -0.02 0.00 1.12 0.00 0.00 29.99 29.01 2bsi n HIS 44 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2bsi n GLN 45 N -2.24 -1.92 0.00 -0.41 6.02 -1.26 -4.74 117.38 112.84 2bsi n GLN 45 Ca -0.14 0.66 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 2bsi n GLN 45 Cb 0.57 -5.14 0.00 0.00 1.02 0.00 0.00 30.24 26.68 2bsi n GLN 45 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2bsi n GLN 46 N -2.51 0.28 -4.10 -1.09 6.02 -0.97 -4.36 117.38 110.67 2bsi n GLN 46 Ca -0.14 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.52 2bsi n GLN 46 Cb 0.55 -0.34 -0.16 0.00 1.02 0.00 0.00 30.24 31.31 2bsi n GLN 46 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2bsi s TRP 47 N -0.93 2.71 -0.10 1.08 0.52 -0.69 -0.10 118.94 121.43 2bsi s TRP 47 Ca 0.00 -1.63 -0.21 0.00 0.02 0.00 0.00 56.10 54.28 2bsi s TRP 47 Cb 0.00 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 2bsi s TRP 47 CO 0.00 -0.79 0.60 0.08 0.02 0.00 0.00 176.95 176.86 2bsi s VAL 48 N 1.31 5.10 -0.17 4.03 1.01 0.27 -0.77 120.40 131.18 2bsi s VAL 48 Ca 0.04 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.24 2bsi s VAL 48 Cb -0.14 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.32 2bsi s VAL 48 CO -0.12 0.26 -0.18 -1.58 0.00 0.00 0.00 175.10 173.48 2bsi s GLN 49 N 0.88 2.71 -0.00 2.72 2.00 0.00 -1.16 119.66 126.81 2bsi s GLN 49 Ca 0.32 -0.72 -0.14 0.00 -2.00 0.00 0.00 55.36 52.81 2bsi s GLN 49 Cb -0.16 -2.37 -0.06 0.00 0.80 0.00 0.00 33.01 31.21 2bsi s GLN 49 CO 0.14 -0.21 0.40 -0.51 -0.50 0.00 0.00 175.29 174.61 2bsi s LEU 50 N 1.34 4.47 -0.12 3.68 1.43 0.33 -1.31 118.68 128.50 2bsi s LEU 50 Ca 0.04 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 53.98 2bsi s LEU 50 Cb -0.13 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.55 2bsi s LEU 50 CO -0.12 0.33 0.34 0.12 0.23 0.00 0.00 176.35 177.25 2bsi s PHE 51 N -1.08 -0.36 -0.20 0.29 2.19 -0.06 -1.94 117.98 116.81 2bsi s PHE 51 Ca 0.23 0.88 -0.18 0.00 0.33 0.00 0.00 56.93 58.19 2bsi s PHE 51 Cb -0.17 0.13 0.05 0.00 -1.31 0.00 0.00 43.02 41.72 2bsi s PHE 51 CO 0.13 -0.18 0.54 0.45 1.83 0.00 0.00 175.22 177.99 2bsi s SER 52 N 0.14 -0.57 -0.16 6.13 0.15 -0.29 -1.06 113.70 118.04 2bsi s SER 52 Ca -0.00 1.10 -0.23 0.00 0.70 0.00 0.00 55.95 57.51 2bsi s SER 52 Cb -0.02 1.10 -0.02 0.00 -1.71 0.00 0.00 66.02 65.37 2bsi s SER 52 CO 0.01 -0.19 0.74 -0.70 1.20 0.00 0.00 173.24 174.29 2bsi s GLU 53 N 0.36 4.30 0.00 5.44 2.12 -1.26 -0.14 118.70 129.52 2bsi s GLU 53 Ca -0.01 0.85 0.08 0.00 0.36 0.00 0.00 54.97 56.26 2bsi s GLU 53 Cb -0.04 -3.55 0.29 0.00 0.26 0.00 0.00 34.13 31.09 2bsi s GLU 53 CO -0.00 -0.22 1.22 1.28 -0.54 0.00 0.00 175.26 176.99 2bsi n LEU 54 N 4.89 0.96 0.00 2.70 4.77 -0.16 -4.88 117.00 125.27 2bsi n LEU 54 Ca 0.01 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 2bsi n LEU 54 Cb 0.50 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2bsi n LEU 54 CO 0.46 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2bsi n GLY 55 N 0.82 1.62 0.00 -0.72 0.00 -1.26 -4.78 105.19 100.87 2bsi n GLY 55 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2bsi n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bsi n ALA 56 N 0.00 0.00 -2.82 4.61 0.00 -1.26 -5.08 120.51 115.95 2bsi n ALA 56 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2bsi n ALA 56 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2bsi n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bsi s ASP 57 N -1.00 5.63 0.06 0.00 1.11 -1.26 -4.85 116.67 116.35 2bsi s ASP 57 Ca 0.00 -0.02 0.02 0.00 0.18 0.00 0.00 52.55 52.74 2bsi s ASP 57 Cb 0.00 -2.00 -0.04 0.00 1.07 0.00 0.00 42.92 41.95 2bsi s ASP 57 CO 0.00 0.06 0.06 -0.76 1.18 0.00 0.00 175.17 175.71 2bsi s LEU 58 N 1.09 3.76 0.65 1.23 1.02 -1.26 -5.09 118.68 120.08 2bsi s LEU 58 Ca 0.05 0.01 -0.15 0.00 0.02 0.00 0.00 54.13 54.06 2bsi s LEU 58 Cb -0.14 -2.37 -0.01 0.00 0.02 0.00 0.00 46.19 43.69 2bsi s LEU 58 CO 0.04 0.20 1.11 -2.16 0.02 0.00 0.00 176.35 175.56 2bsi s PRO 59 N -2.17 2.86 0.22 1.29 0.04 -1.26 -4.97 135.00 131.02 2bsi s PRO 59 Ca 0.27 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 2bsi s PRO 59 Cb -0.12 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 2bsi s PRO 59 CO 0.19 -1.20 1.36 0.99 0.04 0.00 0.00 177.00 178.38 2bsi s THR 60 N -2.33 2.97 -0.05 1.26 2.01 -1.26 -5.03 115.64 113.20 2bsi s THR 60 Ca 0.67 0.81 -0.12 0.00 0.31 0.00 0.00 61.69 63.36 2bsi s THR 60 Cb -0.20 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 2bsi s THR 60 CO 0.41 0.13 0.31 0.21 -0.69 0.00 0.00 174.62 174.99 2bsi s ASN 61 N 0.34 6.64 0.28 3.53 3.84 -1.26 -4.97 114.94 123.33 2bsi s ASN 61 Ca 0.58 0.76 0.16 0.00 0.21 0.00 0.00 52.86 54.57 2bsi s ASN 61 Cb -0.39 -2.19 0.85 0.00 -0.55 0.00 0.00 41.25 38.97 2bsi s ASN 61 CO 0.40 0.33 1.43 0.47 -2.79 0.00 0.00 177.10 176.94 2bsi n ASP 62 N 2.06 0.41 -3.94 -4.21 8.00 -1.26 -4.90 116.55 112.70 2bsi n ASP 62 Ca -0.16 0.64 -0.25 0.00 0.71 0.00 0.00 54.79 55.73 2bsi n ASP 62 Cb 0.53 -0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 40.95 2bsi n ASP 62 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2bsi n ASN 63 N -2.07 -0.55 -4.88 -2.24 3.02 -1.26 -4.98 115.26 102.31 2bsi n ASN 63 Ca -0.01 -0.99 -0.32 0.00 -0.03 0.00 0.00 54.58 53.23 2bsi n ASN 63 Cb 0.14 -3.14 -0.05 0.00 -0.61 0.00 0.00 39.78 36.12 2bsi n ASN 63 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bsi s LEU 64 N -6.96 4.21 0.97 3.41 1.43 -1.26 -5.05 118.68 115.42 2bsi s LEU 64 Ca 0.04 0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 53.85 2bsi s LEU 64 Cb -0.02 -3.55 0.19 0.00 0.03 0.00 0.00 46.19 42.83 2bsi s LEU 64 CO 0.88 -0.03 1.26 0.72 0.23 0.00 0.00 176.35 179.41 2bsi s PHE 65 N -1.74 1.71 0.00 0.29 -0.71 -1.26 -4.68 117.98 111.59 2bsi s PHE 65 Ca 0.45 0.45 0.00 0.00 -1.04 0.00 0.00 56.93 56.79 2bsi s PHE 65 Cb -0.12 -3.87 0.00 0.00 -1.21 0.00 0.00 43.02 37.82 2bsi s PHE 65 CO 0.21 -2.68 0.00 0.41 -1.34 0.00 0.00 175.22 171.83 2bsi n GLY 66 N -3.16 2.83 0.12 1.99 0.00 -1.26 -4.95 105.19 100.76 2bsi n GLY 66 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 2bsi n GLY 66 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bsi n GLU 67 N -1.40 0.71 -4.19 1.61 2.13 -1.26 -4.91 120.64 113.33 2bsi n GLU 67 Ca 0.00 0.24 -0.16 0.00 0.66 0.00 0.00 57.16 57.91 2bsi n GLU 67 Cb 0.00 -1.70 -0.11 0.00 0.27 0.00 0.00 31.44 29.90 2bsi n GLU 67 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2bsi s HIS 68 N -2.56 1.14 -0.27 4.31 3.76 -1.26 -5.09 115.29 115.32 2bsi s HIS 68 Ca -0.19 -0.61 0.00 0.00 -0.15 0.00 0.00 55.06 54.11 2bsi s HIS 68 Cb 0.07 -0.62 0.08 0.00 1.11 0.00 0.00 32.58 33.22 2bsi s HIS 68 CO 0.76 0.04 0.02 -1.58 -0.85 0.00 0.00 174.74 173.13 2bsi s TRP 69 N -2.21 2.15 0.74 1.40 0.52 -1.26 -2.31 118.94 117.97 2bsi s TRP 69 Ca 0.05 -1.77 -0.12 0.00 0.02 0.00 0.00 56.10 54.28 2bsi s TRP 69 Cb -0.04 -1.71 0.04 0.00 -1.15 0.00 0.00 33.47 30.60 2bsi s TRP 69 CO 0.01 -0.80 1.11 -1.25 0.02 0.00 0.00 176.95 176.04 2bsi s PRO 70 N 1.47 2.54 0.81 4.98 0.04 -1.26 -5.03 135.00 138.55 2bsi s PRO 70 Ca 0.02 0.45 -0.12 0.00 0.04 0.00 0.00 61.00 61.39 2bsi s PRO 70 Cb -0.18 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.46 2bsi s PRO 70 CO -0.13 -1.26 1.15 0.00 0.04 0.00 0.00 177.00 176.81 2bsi s ALA 71 N -3.34 1.89 -0.17 8.56 0.00 -0.98 -4.93 121.76 122.78 2bsi s ALA 71 Ca 0.59 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 2bsi s ALA 71 Cb -0.12 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 2bsi s ALA 71 CO 0.52 -2.20 -0.05 -1.01 0.00 0.00 0.00 175.76 173.02 2bsi s HIS 72 N -2.47 2.97 -0.10 0.00 3.76 -1.26 -4.38 115.29 113.81 2bsi s HIS 72 Ca 0.68 -0.53 0.03 0.00 -0.15 0.00 0.00 55.06 55.09 2bsi s HIS 72 Cb -0.24 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.45 2bsi s HIS 72 CO 0.53 -0.22 -0.21 0.08 -0.85 0.00 0.00 174.74 174.06 2bsi s VAL 73 N 0.74 2.32 -0.30 -0.90 1.01 0.50 -4.91 120.40 118.86 2bsi s VAL 73 Ca -0.02 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 2bsi s VAL 73 Cb -0.15 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 2bsi s VAL 73 CO 0.02 0.55 0.17 -1.58 0.00 0.00 0.00 175.10 174.26 2bsi s GLN 74 N 0.26 3.56 0.21 2.72 0.74 -1.26 -0.34 119.66 125.54 2bsi s GLN 74 Ca -0.15 -0.58 0.01 0.00 0.05 0.00 0.00 55.36 54.69 2bsi s GLN 74 Cb -0.17 -3.61 -0.00 0.00 1.10 0.00 0.00 33.01 30.32 2bsi s GLN 74 CO 0.07 -0.34 0.03 0.41 -0.55 0.00 0.00 175.29 174.91 2bsi n GLY 75 N 5.02 3.84 2.68 2.59 0.00 -0.18 -4.86 105.19 114.29 2bsi n GLY 75 Ca -0.14 -2.17 -0.20 0.00 0.00 0.00 0.00 46.02 43.51 2bsi n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bsi s ARG 76 N -2.75 -0.04 -0.18 1.61 3.52 -1.26 -1.28 118.95 118.56 2bsi s ARG 76 Ca 0.04 0.35 -0.04 0.00 -0.13 0.00 0.00 55.73 55.95 2bsi s ARG 76 Cb 0.00 -0.52 0.07 0.00 -1.56 0.00 0.00 34.95 32.95 2bsi s ARG 76 CO 0.03 -0.32 0.16 -1.17 -0.81 0.00 0.00 175.30 173.18 2bsi s LEU 77 N 2.09 0.09 -1.49 -0.88 2.96 -0.08 -4.78 118.68 116.59 2bsi s LEU 77 Ca 0.04 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.49 2bsi s LEU 77 Cb -0.12 0.09 0.06 0.00 0.50 0.00 0.00 46.19 46.73 2bsi s LEU 77 CO -0.03 -0.33 0.99 0.47 -1.32 0.00 0.00 176.35 176.13 2bsi n ASP 78 N 5.30 -5.24 -0.57 3.68 8.00 -1.26 -2.20 116.55 124.26 2bsi n ASP 78 Ca -0.06 -0.68 -0.07 0.00 0.71 0.00 0.00 54.79 54.69 2bsi n ASP 78 Cb 0.49 -4.17 -0.03 0.00 -0.02 0.00 0.00 41.12 37.39 2bsi n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bsi n GLY 79 N -1.74 0.94 3.33 0.44 0.00 -1.26 -4.99 105.19 101.91 2bsi n GLY 79 Ca 0.03 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 2bsi n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bsi s LYS 80 N -2.46 3.33 0.26 1.61 1.02 -0.94 -5.10 119.74 117.46 2bsi s LYS 80 Ca 0.00 -0.70 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 2bsi s LYS 80 Cb 0.00 -2.68 -0.10 0.00 -0.52 0.00 0.00 37.83 34.53 2bsi s LYS 80 CO 0.00 0.10 1.48 -1.12 -0.92 0.00 0.00 175.35 174.89 2bsi s SER 81 N 0.65 6.57 0.19 2.83 0.01 -1.26 -0.91 113.70 121.78 2bsi s SER 81 Ca -0.07 2.75 0.02 0.00 1.31 0.00 0.00 55.95 59.96 2bsi s SER 81 Cb -0.15 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.40 2bsi s SER 81 CO 0.02 -0.76 0.02 0.27 0.41 0.00 0.00 173.24 173.20 2bsi s ILE 82 N -0.03 0.67 -0.01 1.44 -4.36 -0.41 -0.99 121.20 117.52 2bsi s ILE 82 Ca 0.60 -1.99 0.04 0.00 -0.26 0.00 0.00 60.65 59.05 2bsi s ILE 82 Cb -0.44 -2.21 -0.01 0.00 1.25 0.00 0.00 42.46 41.05 2bsi s ILE 82 CO 0.45 -0.39 -0.14 -0.22 0.24 0.00 0.00 174.94 174.88 2bsi s LEU 83 N -3.20 2.04 0.15 0.37 2.96 0.80 -1.01 118.68 120.79 2bsi s LEU 83 Ca 0.26 -0.27 -0.08 0.00 -0.22 0.00 0.00 54.13 53.82 2bsi s LEU 83 Cb 0.06 -0.70 -0.01 0.00 0.50 0.00 0.00 46.19 46.04 2bsi s LEU 83 CO 0.06 0.16 0.25 -1.66 -1.32 0.00 0.00 176.35 173.84 2bsi s TRP 84 N -0.37 0.41 0.01 5.38 1.48 0.53 -1.13 118.94 125.25 2bsi s TRP 84 Ca 0.05 -0.78 -0.27 0.00 -1.06 0.00 0.00 56.10 54.04 2bsi s TRP 84 Cb -0.06 -0.09 0.06 0.00 -1.16 0.00 0.00 33.47 32.23 2bsi s TRP 84 CO -0.00 -0.68 0.62 0.45 -4.06 0.00 0.00 176.95 173.27 2bsi s SER 85 N -2.96 -0.58 0.03 -2.66 0.15 -0.82 -0.37 113.70 106.49 2bsi s SER 85 Ca 0.16 0.44 -0.04 0.00 0.70 0.00 0.00 55.95 57.21 2bsi s SER 85 Cb 0.04 0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 64.87 2bsi s SER 85 CO -0.01 -0.70 0.05 0.00 1.20 0.00 0.00 173.24 173.79 2bsi s GLN 86 N -1.96 0.52 0.18 5.44 -2.07 -1.26 -0.52 119.66 119.98 2bsi s GLN 86 Ca -0.08 -0.75 -0.17 0.00 -1.82 0.00 0.00 55.36 52.54 2bsi s GLN 86 Cb -0.01 0.20 0.03 0.00 -1.09 0.00 0.00 33.01 32.14 2bsi s GLN 86 CO 0.03 -0.12 0.49 1.14 -1.32 0.00 0.00 175.29 175.51 2bsi s GLN 87 N -2.41 1.29 0.41 9.60 -2.07 -0.31 -4.73 119.66 121.44 2bsi s GLN 87 Ca -0.07 -0.82 -0.27 0.00 -1.82 0.00 0.00 55.36 52.39 2bsi s GLN 87 Cb -0.03 0.51 -0.09 0.00 -1.09 0.00 0.00 33.01 32.31 2bsi s GLN 87 CO -0.04 -0.54 1.40 0.45 -1.32 0.00 0.00 175.29 175.24 2bsi s SER 88 N -2.85 6.20 0.42 12.60 0.15 -1.26 -0.56 113.70 128.39 2bsi s SER 88 Ca 0.08 2.86 0.20 0.00 0.70 0.00 0.00 55.95 59.79 2bsi s SER 88 Cb -0.00 -2.65 0.93 0.00 -1.71 0.00 0.00 66.02 62.59 2bsi s SER 88 CO -0.05 -0.95 1.86 0.25 1.20 0.00 0.00 173.24 175.55 2bsi h LEU 89 N 2.70 0.00 -9.60 3.45 5.85 -0.87 -3.41 115.31 113.43 2bsi h LEU 89 Ca -0.50 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 57.69 2bsi h LEU 89 Cb 1.25 0.00 0.04 0.00 0.37 0.00 0.00 40.66 42.32 2bsi h LEU 89 CO 0.63 0.29 0.87 -0.69 -0.34 0.00 0.00 178.44 179.20 2bsi s VAL 90 N -3.92 2.66 -1.71 1.05 1.01 -1.26 -1.83 120.40 116.40 2bsi s VAL 90 Ca -0.01 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2bsi s VAL 90 Cb 0.12 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2bsi s VAL 90 CO 0.66 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.41 2bsi n GLY 91 N 3.74 1.11 3.71 4.51 0.00 -1.26 -4.96 105.19 112.04 2bsi n GLY 91 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2bsi n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bsi s LEU 92 N -4.63 4.29 0.00 0.99 2.96 -0.76 -5.07 118.68 116.47 2bsi s LEU 92 Ca 0.00 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 55.02 2bsi s LEU 92 Cb 0.00 -3.02 -0.00 0.00 0.50 0.00 0.00 46.19 43.67 2bsi s LEU 92 CO 0.00 -0.12 0.01 -0.90 -1.32 0.00 0.00 176.35 174.02 2bsi n ASP 93 N 3.91 3.12 0.04 3.68 5.68 -1.26 -5.05 116.55 126.68 2bsi n ASP 93 Ca -0.02 -2.99 -0.10 0.00 -0.50 0.00 0.00 54.79 51.18 2bsi n ASP 93 Cb 0.51 0.36 0.03 0.00 -1.14 0.00 0.00 41.12 40.88 2bsi n ASP 93 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2bsi h ILE 94 N 1.26 1.36 0.20 2.12 6.09 -1.97 -3.19 117.51 123.38 2bsi h ILE 94 Ca -0.37 -2.05 -0.01 0.00 -1.37 0.00 0.00 64.86 61.06 2bsi h ILE 94 Cb 1.14 2.03 0.00 0.00 0.47 0.00 0.00 36.82 40.46 2bsi h ILE 94 CO 0.61 0.62 -0.10 0.44 -3.07 0.00 0.00 178.15 176.66 2bsi h ASP 95 N 0.32 -0.23 0.00 2.19 3.32 -2.02 0.25 116.42 120.25 2bsi h ASP 95 Ca -0.02 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2bsi h ASP 95 Cb 1.26 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2bsi h ASP 95 CO 0.12 -0.02 0.00 1.21 -1.72 0.00 0.00 179.24 178.84 2bsi n GLU 96 N -5.13 0.26 0.00 3.56 4.07 -1.21 -0.78 120.64 121.41 2bsi n GLU 96 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 2bsi n GLU 96 Cb 0.19 -1.37 0.00 0.00 -0.06 0.00 0.00 31.44 30.20 2bsi n GLU 96 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2bsi n GLN 98 N 1.07 0.00 -0.32 5.31 7.27 0.86 -0.57 117.38 131.00 2bsi n GLN 98 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.03 2bsi n GLN 98 Cb 0.13 0.00 0.08 0.00 2.41 0.00 0.00 30.24 32.86 2bsi n GLN 98 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bsi h ALA 99 N 0.00 1.11 -0.31 1.69 0.00 -1.20 -1.79 119.26 118.75 2bsi h ALA 99 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2bsi h ALA 99 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2bsi h ALA 99 CO 0.00 0.56 0.00 2.35 0.00 0.00 0.00 179.25 182.17 2bsi h TRP 100 N 1.19 0.60 -0.78 0.00 7.01 -1.10 -0.89 115.95 121.98 2bsi h TRP 100 Ca 0.31 -0.10 0.01 0.00 2.11 0.00 0.00 58.89 61.22 2bsi h TRP 100 Cb -0.05 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 26.81 2bsi h TRP 100 CO -0.00 0.68 0.51 1.25 -2.79 0.00 0.00 178.44 178.09 2bsi h LEU 101 N 0.35 0.88 -0.49 0.65 5.85 -1.75 0.20 115.31 120.99 2bsi h LEU 101 Ca 0.09 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2bsi h LEU 101 Cb 0.43 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2bsi h LEU 101 CO 0.02 0.63 0.28 -0.33 -0.34 0.00 0.00 178.44 178.69 2bsi h GLU 102 N 1.03 0.55 -0.28 1.25 5.08 -1.04 -0.37 114.58 120.80 2bsi h GLU 102 Ca 0.29 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2bsi h GLU 102 Cb -0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2bsi h GLU 102 CO -0.08 0.36 0.17 0.00 -1.00 0.00 0.00 179.01 178.47 2bsi h ARG 103 N 0.56 0.35 0.06 2.33 3.08 -0.79 -1.27 114.38 118.70 2bsi h ARG 103 Ca 0.20 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 2bsi h ARG 103 Cb 0.04 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2bsi h ARG 103 CO -0.10 0.23 -0.03 0.35 -1.07 0.00 0.00 179.97 179.35 2bsi h PHE 104 N 0.36 -0.07 -0.53 3.04 3.57 -0.62 -2.05 116.94 120.63 2bsi h PHE 104 Ca 0.10 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.71 2bsi h PHE 104 Cb -0.03 0.02 -0.10 0.00 2.79 0.00 0.00 35.95 38.64 2bsi h PHE 104 CO -0.07 0.12 -0.09 0.82 -2.23 0.00 0.00 178.31 176.86 2bsi h ILE 105 N -0.25 0.50 -0.36 1.41 2.04 -1.04 -1.81 117.51 117.99 2bsi h ILE 105 Ca -0.01 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2bsi h ILE 105 Cb 0.22 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2bsi h ILE 105 CO 0.01 0.01 0.20 0.44 0.00 0.00 0.00 178.15 178.81 2bsi h ASP 106 N 0.03 0.43 0.21 1.72 3.32 -0.98 -0.48 116.42 120.67 2bsi h ASP 106 Ca 0.26 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2bsi h ASP 106 Cb 0.40 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2bsi h ASP 106 CO -0.52 0.34 -0.10 -0.78 -1.72 0.00 0.00 179.24 176.46 2bsi h ASP 107 N 0.49 -0.24 -0.64 6.45 3.58 -0.87 -2.23 116.42 122.97 2bsi h ASP 107 Ca 0.13 -0.29 0.10 0.00 0.42 0.00 0.00 57.03 57.40 2bsi h ASP 107 Cb 0.01 0.06 -0.12 0.00 1.72 0.00 0.00 39.33 41.00 2bsi h ASP 107 CO -0.02 0.25 -0.39 0.40 -2.88 0.00 0.00 179.24 176.60 2bsi h ILE 108 N -0.84 0.11 -0.94 2.25 2.04 -1.20 0.39 117.51 119.33 2bsi h ILE 108 Ca -0.03 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.05 2bsi h ILE 108 Cb 0.51 0.11 -0.12 0.00 -0.74 0.00 0.00 36.82 36.59 2bsi h ILE 108 CO 0.05 0.00 0.48 -0.33 0.00 0.00 0.00 178.15 178.35 2bsi h GLU 109 N -0.17 0.49 0.11 2.37 5.08 -1.11 -1.56 114.58 119.80 2bsi h GLU 109 Ca 0.22 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.28 2bsi h GLU 109 Cb 0.56 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.71 2bsi h GLU 109 CO -0.72 0.33 -1.19 0.37 -1.00 0.00 0.00 179.01 176.79 2bsi h GLN 110 N 0.51 0.34 0.00 2.33 4.15 -0.43 -3.25 115.11 118.76 2bsi h GLN 110 Ca 0.58 -0.52 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2bsi h GLN 110 Cb 1.07 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2bsi h GLN 110 CO -0.48 1.22 0.00 0.54 -1.93 0.00 0.00 178.83 178.18 2bsi n ARG 111 N -3.61 0.17 0.01 1.69 1.74 0.12 -4.21 116.66 112.57 2bsi n ARG 111 Ca -0.09 0.45 0.13 0.00 -0.77 0.00 0.00 57.85 57.57 2bsi n ARG 111 Cb 0.99 -1.86 0.43 0.00 -1.02 0.00 0.00 32.46 31.00 2bsi n ARG 111 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2bsi n LYS 112 N -2.20 0.04 0.00 5.56 5.02 -0.96 -4.94 118.16 120.68 2bsi n LYS 112 Ca 0.02 0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.45 2bsi n LYS 112 Cb 0.19 -1.53 0.30 0.00 -0.02 0.00 0.00 35.03 33.97 2bsi n LYS 112 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27