#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bsh s THR 4 N 0.00 1.66 0.16 1.09 -4.23 -1.26 -4.30 115.64 108.76 2bsh s THR 4 Ca 0.00 -1.40 -0.16 0.00 -1.18 0.00 0.00 61.69 58.95 2bsh s THR 4 Cb 0.00 -2.06 0.04 0.00 1.34 0.00 0.00 72.50 71.82 2bsh s THR 4 CO 0.00 0.00 1.72 0.15 -0.54 0.00 0.00 174.62 175.95 2bsh h PHE 5 N 0.60 0.09 -0.44 3.99 3.57 -1.98 -0.09 116.94 122.68 2bsh h PHE 5 Ca -0.35 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.20 2bsh h PHE 5 Cb 1.30 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 2bsh h PHE 5 CO 0.91 0.00 0.24 1.15 -2.23 0.00 0.00 178.31 178.39 2bsh h THR 6 N 0.18 1.01 -0.38 4.41 2.02 -1.99 -2.25 112.91 115.91 2bsh h THR 6 Ca 0.18 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 2bsh h THR 6 Cb 0.21 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2bsh h THR 6 CO -0.24 0.09 0.23 -0.33 0.37 0.00 0.00 175.52 175.64 2bsh h GLU 7 N 0.49 0.51 -0.49 6.66 5.08 -1.78 0.11 114.58 125.16 2bsh h GLU 7 Ca 0.18 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2bsh h GLU 7 Cb 0.05 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2bsh h GLU 7 CO -0.10 0.37 0.00 -0.11 -1.00 0.00 0.00 179.01 178.17 2bsh n LEU 8 N -4.79 0.00 0.00 1.33 7.94 -0.08 -1.78 117.00 119.62 2bsh n LEU 8 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2bsh n LEU 8 Cb 0.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2bsh n LEU 8 CO 0.35 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.63 2bsh n GLN 10 N 0.61 0.00 -0.05 1.96 6.02 0.02 -0.46 117.38 125.49 2bsh n GLN 10 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 2bsh n GLN 10 Cb 0.00 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 2bsh n GLN 10 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2bsh h GLN 11 N 0.00 0.25 -0.18 -1.09 4.20 -1.60 -3.06 115.11 113.63 2bsh h GLN 11 Ca 0.00 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.65 2bsh h GLN 11 Cb 0.00 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.70 2bsh h GLN 11 CO 0.00 0.51 -0.53 1.25 -0.67 0.00 0.00 178.83 179.39 2bsh h LEU 12 N -0.03 -1.70 -0.44 1.46 5.85 -1.03 -1.42 115.31 117.99 2bsh h LEU 12 Ca 0.04 0.21 0.09 0.00 0.84 0.00 0.00 57.88 59.05 2bsh h LEU 12 Cb 0.41 0.67 -0.10 0.00 0.37 0.00 0.00 40.66 42.01 2bsh h LEU 12 CO 0.01 -0.45 -0.30 -0.26 -0.34 0.00 0.00 178.44 177.10 2bsh h PHE 13 N -0.53 -0.80 -0.32 1.25 -1.00 -1.83 -1.56 116.94 112.15 2bsh h PHE 13 Ca 0.04 0.06 0.03 0.00 2.81 0.00 0.00 57.97 60.90 2bsh h PHE 13 Cb 0.64 0.42 -0.04 0.00 3.61 0.00 0.00 35.95 40.58 2bsh h PHE 13 CO -0.61 -0.36 -0.19 -0.07 -1.61 0.00 0.00 178.31 175.47 2bsh h LEU 14 N -0.20 -0.69 -1.53 1.54 3.38 -1.22 0.22 115.31 116.80 2bsh h LEU 14 Ca 0.19 0.11 0.25 0.00 0.09 0.00 0.00 57.88 58.52 2bsh h LEU 14 Cb 0.52 0.31 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 2bsh h LEU 14 CO -0.56 -0.07 0.66 0.11 0.09 0.00 0.00 178.44 178.67 2bsh h LYS 15 N -0.00 0.32 -0.01 1.13 1.79 -0.58 0.24 116.57 119.46 2bsh h LYS 15 Ca 0.05 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2bsh h LYS 15 Cb 0.13 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2bsh h LYS 15 CO -0.30 0.21 -0.51 1.28 -1.08 0.00 0.00 179.45 179.06 2bsh n LEU 16 N -4.51 1.10 -1.49 2.94 4.77 -0.65 -4.97 117.00 114.19 2bsh n LEU 16 Ca 0.23 -0.35 -0.17 0.00 -0.03 0.00 0.00 56.01 55.69 2bsh n LEU 16 Cb 0.86 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.79 2bsh n LEU 16 CO 0.30 0.23 -0.18 0.61 -1.33 0.00 0.00 177.39 177.02 2bsh n GLY 17 N 1.43 1.14 3.97 -0.72 0.00 0.69 -5.02 105.19 106.68 2bsh n GLY 17 Ca 0.08 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2bsh n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bsh s LEU 18 N -4.19 3.77 0.00 0.99 1.43 -1.08 -5.02 118.68 114.58 2bsh s LEU 18 Ca 0.00 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 2bsh s LEU 18 Cb 0.00 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.23 2bsh s LEU 18 CO 0.00 -0.60 0.54 0.59 0.23 0.00 0.00 176.35 177.11 2bsh n ASN 19 N -1.90 0.00 -3.97 2.29 4.13 -1.26 -4.59 115.26 109.95 2bsh n ASN 19 Ca 0.01 0.64 -0.09 0.00 1.68 0.00 0.00 54.58 56.82 2bsh n ASN 19 Cb 0.58 -0.31 -0.06 0.00 -1.54 0.00 0.00 39.78 38.45 2bsh n ASN 19 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 2bsh s HIS 20 N -1.69 0.36 0.36 3.10 3.76 -1.26 -4.95 115.29 114.96 2bsh s HIS 20 Ca 0.00 -0.71 -0.25 0.00 -0.15 0.00 0.00 55.06 53.95 2bsh s HIS 20 Cb 0.00 0.11 -0.13 0.00 1.11 0.00 0.00 32.58 33.67 2bsh s HIS 20 CO 0.00 -0.90 0.75 1.04 -0.85 0.00 0.00 174.74 174.78 2bsh n GLN 21 N -0.33 0.86 -3.68 1.40 6.02 -1.24 -4.73 117.38 115.67 2bsh n GLN 21 Ca -0.04 0.31 -0.11 0.00 -0.01 0.00 0.00 57.00 57.15 2bsh n GLN 21 Cb 0.62 -1.64 -0.11 0.00 1.02 0.00 0.00 30.24 30.13 2bsh n GLN 21 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2bsh s VAL 22 N -1.27 -0.32 0.96 5.09 0.11 -1.26 -1.19 120.40 122.52 2bsh s VAL 22 Ca 0.62 0.18 -0.15 0.00 -2.93 0.00 0.00 61.98 59.70 2bsh s VAL 22 Cb -0.66 -0.54 0.22 0.00 -1.53 0.00 0.00 36.38 33.86 2bsh s VAL 22 CO 0.58 0.07 1.31 0.54 -3.33 0.00 0.00 175.10 174.27 2bsh s ASN 23 N 2.02 2.99 0.00 3.54 2.20 -0.92 -4.89 114.94 119.88 2bsh s ASN 23 Ca -0.04 0.05 0.28 0.00 -0.94 0.00 0.00 52.86 52.21 2bsh s ASN 23 Cb -0.11 -0.03 1.42 0.00 -2.00 0.00 0.00 41.25 40.53 2bsh s ASN 23 CO -0.11 -2.79 1.97 -0.62 -2.94 0.00 0.00 177.10 172.60 2bsh n GLU 24 N -3.73 0.41 -0.01 3.55 -0.58 -1.26 -0.73 120.64 118.28 2bsh n GLU 24 Ca 0.17 0.02 0.14 0.00 -0.42 0.00 0.00 57.16 57.07 2bsh n GLU 24 Cb 0.59 -1.50 0.55 0.00 -0.57 0.00 0.00 31.44 30.52 2bsh n GLU 24 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2bsh n ASN 25 N -1.28 1.35 -1.79 1.62 5.15 -1.26 -4.94 115.26 114.11 2bsh n ASN 25 Ca 0.13 -1.47 -0.16 0.00 -0.60 0.00 0.00 54.58 52.49 2bsh n ASN 25 Cb 0.22 -0.01 -0.01 0.00 -0.53 0.00 0.00 39.78 39.45 2bsh n ASN 25 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2bsh n ASP 26 N 0.06 -4.67 -4.70 1.20 8.00 0.09 -5.00 116.55 111.53 2bsh n ASP 26 Ca 0.19 -0.02 -0.35 0.00 0.71 0.00 0.00 54.79 55.32 2bsh n ASP 26 Cb 0.32 -3.79 -0.09 0.00 -0.02 0.00 0.00 41.12 37.55 2bsh n ASP 26 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bsh s VAL 27 N -2.78 5.27 -0.11 2.53 1.01 -1.26 -4.53 120.40 120.53 2bsh s VAL 27 Ca 0.01 0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 2bsh s VAL 27 Cb -0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2bsh s VAL 27 CO 0.01 0.43 0.07 -0.31 0.00 0.00 0.00 175.10 175.30 2bsh s TYR 28 N 0.49 3.36 -0.04 5.22 1.51 0.32 -2.17 117.35 126.04 2bsh s TYR 28 Ca 0.07 0.33 0.06 0.00 -1.01 0.00 0.00 57.07 56.53 2bsh s TYR 28 Cb -0.12 -1.88 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 2bsh s TYR 28 CO -0.00 0.56 -0.24 0.99 -1.11 0.00 0.00 175.55 175.75 2bsh s THR 29 N -0.83 1.90 -0.05 -0.71 2.01 -0.33 -0.43 115.64 117.19 2bsh s THR 29 Ca 0.13 -1.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.08 2bsh s THR 29 Cb -0.12 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.81 2bsh s THR 29 CO 0.03 0.53 0.14 0.72 -0.69 0.00 0.00 174.62 175.36 2bsh s PHE 30 N -0.32 -0.15 0.24 4.92 -0.12 -0.39 -3.72 117.98 118.43 2bsh s PHE 30 Ca 0.02 0.37 -0.15 0.00 -0.05 0.00 0.00 56.93 57.12 2bsh s PHE 30 Cb -0.11 0.05 -0.08 0.00 -0.63 0.00 0.00 43.02 42.25 2bsh s PHE 30 CO 0.01 -0.08 0.67 -1.21 -0.05 0.00 0.00 175.22 174.56 2bsh s GLU 31 N 0.06 4.04 -0.05 1.99 0.41 -1.26 -1.29 118.70 122.60 2bsh s GLU 31 Ca -0.00 0.63 0.05 0.00 -0.41 0.00 0.00 54.97 55.24 2bsh s GLU 31 Cb -0.01 -2.70 -0.01 0.00 -1.78 0.00 0.00 34.13 29.63 2bsh s GLU 31 CO 0.00 0.32 -0.21 0.08 -0.49 0.00 0.00 175.26 174.96 2bsh s VAL 32 N -1.72 1.71 0.00 2.63 1.01 0.60 -4.76 120.40 119.87 2bsh s VAL 32 Ca 0.46 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2bsh s VAL 32 Cb -0.13 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.80 2bsh s VAL 32 CO 0.19 0.48 0.00 -0.90 0.00 0.00 0.00 175.10 174.88 2bsh n ASP 33 N 3.02 -0.42 -1.77 3.32 5.68 -1.26 -1.93 116.55 123.19 2bsh n ASP 33 Ca -0.18 0.21 -0.12 0.00 -0.50 0.00 0.00 54.79 54.20 2bsh n ASP 33 Cb 0.53 -0.49 -0.03 0.00 -1.14 0.00 0.00 41.12 39.98 2bsh n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bsh n GLY 34 N -0.21 0.54 0.00 6.12 0.00 -1.26 -4.66 105.19 105.71 2bsh n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bsh n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2bsh n HIS 35 N -2.42 0.00 -3.81 1.61 8.25 -0.81 -5.05 115.22 112.99 2bsh n HIS 35 Ca -0.13 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.96 2bsh n HIS 35 Cb 0.48 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.53 2bsh n HIS 35 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2bsh s ILE 36 N -1.83 5.46 -0.06 1.59 -1.09 -1.02 -4.99 121.20 119.26 2bsh s ILE 36 Ca 0.00 0.23 0.02 0.00 -2.23 0.00 0.00 60.65 58.67 2bsh s ILE 36 Cb 0.00 -3.44 0.02 0.00 -1.58 0.00 0.00 42.46 37.46 2bsh s ILE 36 CO 0.00 0.55 -0.09 -1.58 -1.23 0.00 0.00 174.94 172.59 2bsh s GLN 37 N -0.51 1.37 -0.07 2.79 0.74 -1.26 -0.29 119.66 122.42 2bsh s GLN 37 Ca 0.13 -0.30 0.02 0.00 0.05 0.00 0.00 55.36 55.26 2bsh s GLN 37 Cb -0.12 -1.19 -0.03 0.00 1.10 0.00 0.00 33.01 32.77 2bsh s GLN 37 CO 0.02 -0.02 -0.11 0.08 -0.55 0.00 0.00 175.29 174.71 2bsh s VAL 38 N 0.77 3.28 -0.03 1.34 1.01 -0.41 -4.39 120.40 121.97 2bsh s VAL 38 Ca -0.13 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.25 2bsh s VAL 38 Cb -0.15 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2bsh s VAL 38 CO 0.02 0.58 -0.11 -0.76 0.00 0.00 0.00 175.10 174.83 2bsh s LEU 39 N -0.52 2.95 -0.03 3.92 1.43 -0.05 -1.26 118.68 125.11 2bsh s LEU 39 Ca 0.07 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2bsh s LEU 39 Cb -0.12 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2bsh s LEU 39 CO 0.02 0.33 -0.08 -0.63 0.23 0.00 0.00 176.35 176.22 2bsh s ILE 40 N -0.83 0.69 0.12 -0.59 1.01 0.43 -1.50 121.20 120.53 2bsh s ILE 40 Ca 0.13 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 2bsh s ILE 40 Cb -0.11 -0.64 -0.01 0.00 0.01 0.00 0.00 42.46 41.71 2bsh s ILE 40 CO 0.03 0.23 0.20 0.00 0.00 0.00 0.00 174.94 175.40 2bsh s ALA 41 N 0.38 0.06 -0.10 9.38 0.00 -0.75 -0.52 121.76 130.20 2bsh s ALA 41 Ca -0.06 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2bsh s ALA 41 Cb -0.10 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.72 2bsh s ALA 41 CO 0.01 -0.56 -0.19 0.00 0.00 0.00 0.00 175.76 175.02 2bsh s TYR 43 N 0.62 2.79 -1.31 0.00 1.51 0.50 -4.59 117.35 116.87 2bsh s TYR 43 Ca -0.14 -0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 55.81 2bsh s TYR 43 Cb -0.16 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 2bsh s TYR 43 CO 0.04 0.35 0.04 0.72 -1.11 0.00 0.00 175.55 175.60 2bsh n HIS 44 N 1.41 -1.32 -1.44 2.71 8.25 -1.26 -0.66 115.22 122.89 2bsh n HIS 44 Ca -0.15 0.04 -0.15 0.00 -0.26 0.00 0.00 57.72 57.19 2bsh n HIS 44 Cb 0.52 -3.21 -0.07 0.00 1.12 0.00 0.00 29.99 28.36 2bsh n HIS 44 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2bsh n GLN 45 N -2.95 -1.59 0.00 -0.41 6.02 -1.26 -4.64 117.38 112.54 2bsh n GLN 45 Ca -0.17 1.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 2bsh n GLN 45 Cb 0.63 -5.44 0.00 0.00 1.02 0.00 0.00 30.24 26.45 2bsh n GLN 45 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2bsh n GLN 46 N -1.52 0.00 -3.37 -1.09 7.27 -0.63 -4.91 117.38 113.12 2bsh n GLN 46 Ca -0.15 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 56.47 2bsh n GLN 46 Cb 0.63 -0.38 -0.07 0.00 2.41 0.00 0.00 30.24 32.83 2bsh n GLN 46 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2bsh s TRP 47 N -1.00 3.23 -0.09 3.69 0.52 0.16 0.46 118.94 125.91 2bsh s TRP 47 Ca 0.00 -0.91 -0.29 0.00 0.02 0.00 0.00 56.10 54.92 2bsh s TRP 47 Cb 0.00 -3.21 -0.02 0.00 -1.15 0.00 0.00 33.47 29.09 2bsh s TRP 47 CO 0.00 -0.82 0.96 0.08 0.02 0.00 0.00 176.95 177.19 2bsh s VAL 48 N 1.70 4.83 -0.10 4.03 1.01 0.06 -0.37 120.40 131.56 2bsh s VAL 48 Ca 0.05 1.96 0.02 0.00 0.00 0.00 0.00 61.98 64.01 2bsh s VAL 48 Cb -0.24 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.87 2bsh s VAL 48 CO 0.07 0.05 -0.16 -1.58 0.00 0.00 0.00 175.10 173.47 2bsh s GLN 49 N 1.79 2.29 0.09 2.72 2.00 0.63 -1.61 119.66 127.57 2bsh s GLN 49 Ca 0.47 -0.60 0.04 0.00 -2.00 0.00 0.00 55.36 53.27 2bsh s GLN 49 Cb -0.18 -1.89 -0.04 0.00 0.80 0.00 0.00 33.01 31.70 2bsh s GLN 49 CO 0.19 -0.00 0.04 -0.51 -0.50 0.00 0.00 175.29 174.51 2bsh s LEU 50 N 0.81 3.64 -0.19 3.68 1.43 0.82 -1.81 118.68 127.06 2bsh s LEU 50 Ca -0.10 -0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 2bsh s LEU 50 Cb -0.16 -2.34 0.05 0.00 0.03 0.00 0.00 46.19 43.77 2bsh s LEU 50 CO 0.01 0.17 0.49 0.12 0.23 0.00 0.00 176.35 177.38 2bsh s PHE 51 N -1.35 -0.55 -0.08 0.29 5.36 -0.56 -2.05 117.98 119.03 2bsh s PHE 51 Ca 0.28 1.33 -0.12 0.00 -0.96 0.00 0.00 56.93 57.45 2bsh s PHE 51 Cb -0.12 0.19 0.03 0.00 -0.34 0.00 0.00 43.02 42.78 2bsh s PHE 51 CO 0.20 -0.27 0.32 0.45 -1.46 0.00 0.00 175.22 174.46 2bsh s SER 52 N 0.31 -0.28 0.25 6.13 0.15 -0.10 -0.87 113.70 119.29 2bsh s SER 52 Ca -0.00 0.44 -0.30 0.00 0.70 0.00 0.00 55.95 56.79 2bsh s SER 52 Cb -0.04 0.53 -0.09 0.00 -1.71 0.00 0.00 66.02 64.72 2bsh s SER 52 CO 0.00 -0.24 1.15 -1.61 1.20 0.00 0.00 173.24 173.75 2bsh s GLU 53 N -0.39 4.56 -0.09 5.44 2.02 -1.26 -0.64 118.70 128.34 2bsh s GLU 53 Ca -0.05 1.87 0.17 0.00 0.02 0.00 0.00 54.97 56.97 2bsh s GLU 53 Cb -0.03 -3.20 -0.25 0.00 0.10 0.00 0.00 34.13 30.75 2bsh s GLU 53 CO 0.02 0.07 0.24 1.28 0.02 0.00 0.00 175.26 176.88 2bsh n LEU 54 N 1.62 0.00 0.00 1.80 4.77 -0.03 -4.86 117.00 120.30 2bsh n LEU 54 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2bsh n LEU 54 Cb 0.44 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2bsh n LEU 54 CO 0.55 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 2bsh n GLY 55 N 1.71 -1.30 3.94 -0.72 0.00 -1.09 -4.91 105.19 102.81 2bsh n GLY 55 Ca -0.15 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.54 2bsh n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bsh s ALA 56 N -2.00 3.69 -0.36 4.61 0.00 -1.26 -1.95 121.76 124.50 2bsh s ALA 56 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2bsh s ALA 56 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.00 2bsh s ALA 56 CO 0.00 0.01 0.00 -0.25 0.00 0.00 0.00 175.76 175.52 2bsh n ASP 57 N -1.68 -3.23 -4.77 0.00 8.00 -1.26 -4.99 116.55 108.62 2bsh n ASP 57 Ca -0.04 0.08 -0.38 0.00 0.71 0.00 0.00 54.79 55.15 2bsh n ASP 57 Cb 0.56 -1.22 -0.05 0.00 -0.02 0.00 0.00 41.12 40.39 2bsh n ASP 57 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2bsh s LEU 58 N -0.81 4.34 0.82 0.64 1.02 -1.26 -3.76 118.68 119.66 2bsh s LEU 58 Ca 0.00 2.03 -0.11 0.00 0.02 0.00 0.00 54.13 56.08 2bsh s LEU 58 Cb 0.00 -3.95 0.08 0.00 0.02 0.00 0.00 46.19 42.34 2bsh s LEU 58 CO 0.00 -0.23 1.10 -2.16 0.02 0.00 0.00 176.35 175.08 2bsh s PRO 59 N -2.00 1.90 0.46 1.29 0.04 -1.26 -4.86 135.00 130.57 2bsh s PRO 59 Ca 0.51 1.18 -0.21 0.00 0.04 0.00 0.00 61.00 62.52 2bsh s PRO 59 Cb -0.24 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 2bsh s PRO 59 CO 0.30 -1.90 1.05 0.99 0.04 0.00 0.00 177.00 177.48 2bsh s THR 60 N -2.86 3.73 -0.03 1.26 2.01 -1.26 -5.04 115.64 113.45 2bsh s THR 60 Ca 0.62 1.16 0.04 0.00 0.31 0.00 0.00 61.69 63.82 2bsh s THR 60 Cb -0.18 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 2bsh s THR 60 CO 0.57 -0.16 -0.13 0.21 -0.69 0.00 0.00 174.62 174.42 2bsh s ASN 61 N -1.83 4.16 0.62 3.53 3.84 -1.26 -5.00 114.94 119.00 2bsh s ASN 61 Ca 0.65 -0.21 0.41 0.00 0.21 0.00 0.00 52.86 53.92 2bsh s ASN 61 Cb -0.19 -0.88 2.23 0.00 -0.55 0.00 0.00 41.25 41.87 2bsh s ASN 61 CO 0.23 0.32 2.26 0.44 -2.79 0.00 0.00 177.10 177.55 2bsh h ASP 62 N 5.04 0.00 -5.83 -4.21 3.32 -1.98 -3.47 116.42 109.29 2bsh h ASP 62 Ca -0.47 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.22 2bsh h ASP 62 Cb 1.16 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.83 2bsh h ASP 62 CO 0.51 0.00 -0.82 0.59 -1.72 0.00 0.00 179.24 177.79 2bsh n ASN 63 N -2.96 -2.74 -4.94 6.45 3.02 -1.26 -5.00 115.26 107.83 2bsh n ASN 63 Ca -0.03 -0.74 -0.25 0.00 -0.03 0.00 0.00 54.58 53.53 2bsh n ASN 63 Cb 0.08 -4.60 -0.02 0.00 -0.61 0.00 0.00 39.78 34.63 2bsh n ASN 63 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bsh s LEU 64 N -6.32 4.22 0.76 3.41 1.43 -1.26 -5.06 118.68 115.86 2bsh s LEU 64 Ca 0.12 0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 2bsh s LEU 64 Cb -0.02 -3.08 0.05 0.00 0.03 0.00 0.00 46.19 43.16 2bsh s LEU 64 CO 0.77 -0.09 1.10 0.72 0.23 0.00 0.00 176.35 179.09 2bsh s PHE 65 N -1.98 3.05 0.00 0.29 -0.12 -1.26 -4.48 117.98 113.48 2bsh s PHE 65 Ca 0.37 1.07 0.00 0.00 -0.05 0.00 0.00 56.93 58.32 2bsh s PHE 65 Cb -0.10 -3.13 0.00 0.00 -0.63 0.00 0.00 43.02 39.15 2bsh s PHE 65 CO 0.30 -1.53 0.00 0.41 -0.05 0.00 0.00 175.22 174.36 2bsh n GLY 66 N -2.60 1.19 0.10 1.99 0.00 -1.26 -4.93 105.19 99.68 2bsh n GLY 66 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 2bsh n GLY 66 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bsh h GLU 67 N 2.84 0.11 -4.14 1.61 4.81 -1.97 -3.47 114.58 114.37 2bsh h GLU 67 Ca 0.00 -0.18 -0.19 0.00 -0.13 0.00 0.00 59.36 58.86 2bsh h GLU 67 Cb 0.00 0.07 -0.20 0.00 0.63 0.00 0.00 28.75 29.24 2bsh h GLU 67 CO 0.00 0.84 -0.71 -1.01 -0.73 0.00 0.00 179.01 177.40 2bsh s HIS 68 N -2.61 0.38 -0.22 0.92 3.76 -1.26 -5.09 115.29 111.17 2bsh s HIS 68 Ca -0.08 -0.58 0.01 0.00 -0.15 0.00 0.00 55.06 54.27 2bsh s HIS 68 Cb 0.08 -0.26 0.05 0.00 1.11 0.00 0.00 32.58 33.56 2bsh s HIS 68 CO 0.82 -0.18 -0.10 -1.58 -0.85 0.00 0.00 174.74 172.85 2bsh s TRP 69 N -1.70 2.68 0.91 1.40 0.52 -1.26 -2.10 118.94 119.39 2bsh s TRP 69 Ca -0.12 -1.83 -0.12 0.00 0.02 0.00 0.00 56.10 54.05 2bsh s TRP 69 Cb -0.08 -1.73 0.14 0.00 -1.15 0.00 0.00 33.47 30.64 2bsh s TRP 69 CO -0.02 -0.79 1.10 -1.25 0.02 0.00 0.00 176.95 176.01 2bsh s PRO 70 N 1.30 1.17 0.74 4.98 0.04 -1.26 -5.02 135.00 136.96 2bsh s PRO 70 Ca -0.04 0.58 -0.15 0.00 0.04 0.00 0.00 61.00 61.43 2bsh s PRO 70 Cb -0.17 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.59 2bsh s PRO 70 CO -0.07 -2.24 1.23 0.00 0.04 0.00 0.00 177.00 175.95 2bsh s ALA 71 N -3.06 2.08 -0.24 8.56 0.00 -0.89 -4.94 121.76 123.26 2bsh s ALA 71 Ca 0.63 0.94 -0.05 0.00 0.00 0.00 0.00 51.96 53.48 2bsh s ALA 71 Cb -0.17 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 2bsh s ALA 71 CO 0.56 -1.96 0.00 -1.01 0.00 0.00 0.00 175.76 173.35 2bsh s HIS 72 N -1.91 3.02 -0.13 0.00 3.76 -1.26 -4.36 115.29 114.40 2bsh s HIS 72 Ca 0.76 -0.76 -0.05 0.00 -0.15 0.00 0.00 55.06 54.86 2bsh s HIS 72 Cb -0.31 -2.16 -0.04 0.00 1.11 0.00 0.00 32.58 31.18 2bsh s HIS 72 CO 0.46 -0.48 0.04 0.08 -0.85 0.00 0.00 174.74 173.99 2bsh s VAL 73 N 1.53 4.64 -0.36 -0.90 1.01 0.30 -4.91 120.40 121.70 2bsh s VAL 73 Ca 0.06 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 2bsh s VAL 73 Cb -0.15 -3.02 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 2bsh s VAL 73 CO -0.01 0.55 0.28 -1.58 0.00 0.00 0.00 175.10 174.35 2bsh s GLN 74 N -0.37 3.33 0.55 2.72 0.74 -1.26 -1.12 119.66 124.25 2bsh s GLN 74 Ca 0.08 -0.73 0.05 0.00 0.05 0.00 0.00 55.36 54.81 2bsh s GLN 74 Cb -0.12 -3.87 0.04 0.00 1.10 0.00 0.00 33.01 30.16 2bsh s GLN 74 CO 0.02 -0.56 0.40 0.20 -0.55 0.00 0.00 175.29 174.79 2bsh s GLY 75 N 1.72 2.39 -0.14 2.59 0.00 -0.14 -4.92 107.32 108.82 2bsh s GLY 75 Ca 0.07 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.58 2bsh s GLY 75 CO 0.11 -1.95 -0.17 0.50 0.00 0.00 0.00 173.10 171.58 2bsh s ARG 76 N -4.28 2.55 -0.05 2.90 0.52 -1.26 -1.36 118.95 117.96 2bsh s ARG 76 Ca 0.33 -0.67 -0.01 0.00 -0.52 0.00 0.00 55.73 54.86 2bsh s ARG 76 Cb -0.02 -2.17 0.03 0.00 0.52 0.00 0.00 34.95 33.30 2bsh s ARG 76 CO 0.21 -0.11 0.02 -1.17 0.02 0.00 0.00 175.30 174.27 2bsh s LEU 77 N 1.10 0.56 -1.59 2.53 2.96 -0.04 -4.89 118.68 119.31 2bsh s LEU 77 Ca -0.02 -0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.84 2bsh s LEU 77 Cb -0.14 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.28 2bsh s LEU 77 CO -0.05 -0.19 0.45 0.47 -1.32 0.00 0.00 176.35 175.71 2bsh n ASP 78 N 4.96 -5.92 0.00 3.68 8.00 -1.26 -1.96 116.55 124.04 2bsh n ASP 78 Ca -0.10 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.18 2bsh n ASP 78 Cb 0.50 -4.83 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 2bsh n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bsh n GLY 79 N -1.38 0.61 3.20 0.44 0.00 -1.26 -5.02 105.19 101.78 2bsh n GLY 79 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 2bsh n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bsh s LYS 80 N -0.23 1.11 0.04 1.61 1.02 -0.83 -4.92 119.74 117.54 2bsh s LYS 80 Ca 0.00 -1.56 -0.08 0.00 0.02 0.00 0.00 55.97 54.35 2bsh s LYS 80 Cb 0.00 0.16 -0.05 0.00 -0.52 0.00 0.00 37.83 37.42 2bsh s LYS 80 CO 0.00 -0.31 0.32 -1.12 -0.92 0.00 0.00 175.35 173.33 2bsh s SER 81 N -3.13 6.55 0.20 2.83 0.01 -0.82 -0.87 113.70 118.47 2bsh s SER 81 Ca 0.32 0.64 0.03 0.00 1.31 0.00 0.00 55.95 58.26 2bsh s SER 81 Cb 0.07 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 64.13 2bsh s SER 81 CO 0.07 0.21 -0.02 0.27 0.41 0.00 0.00 173.24 174.18 2bsh s ILE 82 N -1.35 1.00 -0.02 1.44 -4.36 -0.47 -0.85 121.20 116.59 2bsh s ILE 82 Ca 0.30 -2.03 0.06 0.00 -0.26 0.00 0.00 60.65 58.72 2bsh s ILE 82 Cb -0.13 -2.19 -0.01 0.00 1.25 0.00 0.00 42.46 41.37 2bsh s ILE 82 CO 0.17 -0.45 -0.20 -0.22 0.24 0.00 0.00 174.94 174.48 2bsh s LEU 83 N -3.25 2.03 0.15 0.37 2.96 0.18 -0.97 118.68 120.15 2bsh s LEU 83 Ca 0.25 -0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 53.71 2bsh s LEU 83 Cb 0.05 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.68 2bsh s LEU 83 CO 0.06 0.24 0.24 -1.66 -1.32 0.00 0.00 176.35 173.91 2bsh s TRP 84 N -0.43 0.42 -0.16 5.38 1.48 -0.28 -0.93 118.94 124.42 2bsh s TRP 84 Ca 0.07 -0.80 -0.27 0.00 -1.06 0.00 0.00 56.10 54.04 2bsh s TRP 84 Cb -0.08 -0.11 0.07 0.00 -1.16 0.00 0.00 33.47 32.18 2bsh s TRP 84 CO -0.00 -0.67 0.69 0.45 -4.06 0.00 0.00 176.95 173.36 2bsh s SER 85 N -2.96 -0.69 0.06 -2.66 0.15 -0.87 -0.54 113.70 106.18 2bsh s SER 85 Ca 0.16 1.08 -0.07 0.00 0.70 0.00 0.00 55.95 57.83 2bsh s SER 85 Cb 0.04 1.01 -0.01 0.00 -1.71 0.00 0.00 66.02 65.36 2bsh s SER 85 CO -0.01 -0.42 0.13 0.00 1.20 0.00 0.00 173.24 174.14 2bsh s GLN 86 N -0.37 0.71 0.17 5.44 -2.07 -1.26 -0.13 119.66 122.16 2bsh s GLN 86 Ca -0.05 -0.89 -0.22 0.00 -1.82 0.00 0.00 55.36 52.38 2bsh s GLN 86 Cb -0.03 0.28 0.06 0.00 -1.09 0.00 0.00 33.01 32.24 2bsh s GLN 86 CO 0.05 -0.20 0.60 1.14 -1.32 0.00 0.00 175.29 175.56 2bsh s GLN 87 N -3.31 1.33 0.41 9.60 -2.07 -0.63 -4.77 119.66 120.22 2bsh s GLN 87 Ca 0.01 -0.57 -0.25 0.00 -1.82 0.00 0.00 55.36 52.73 2bsh s GLN 87 Cb 0.03 0.58 -0.08 0.00 -1.09 0.00 0.00 33.01 32.44 2bsh s GLN 87 CO -0.08 -0.58 1.21 0.45 -1.32 0.00 0.00 175.29 174.97 2bsh s SER 88 N -2.78 6.41 0.35 12.60 0.15 -1.26 -0.76 113.70 128.41 2bsh s SER 88 Ca 0.03 2.45 0.19 0.00 0.70 0.00 0.00 55.95 59.31 2bsh s SER 88 Cb -0.01 -2.62 0.50 0.00 -1.71 0.00 0.00 66.02 62.18 2bsh s SER 88 CO -0.10 -0.76 1.64 0.25 1.20 0.00 0.00 173.24 175.47 2bsh h LEU 89 N 2.60 0.00 -9.44 3.45 5.85 -0.35 -3.40 115.31 114.02 2bsh h LEU 89 Ca -0.49 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 57.70 2bsh h LEU 89 Cb 1.24 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.30 2bsh h LEU 89 CO 0.62 0.39 1.14 -0.69 -0.34 0.00 0.00 178.44 179.56 2bsh s VAL 90 N -3.37 2.79 -0.04 1.05 1.01 -1.26 -0.99 120.40 119.59 2bsh s VAL 90 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2bsh s VAL 90 Cb 0.09 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2bsh s VAL 90 CO 0.70 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.40 2bsh n GLY 91 N 4.31 0.33 3.71 4.51 0.00 -1.26 -4.99 105.19 111.80 2bsh n GLY 91 Ca 0.18 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2bsh n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bsh s LEU 92 N -0.09 4.28 0.49 0.99 2.96 -0.16 -5.05 118.68 122.10 2bsh s LEU 92 Ca 0.00 1.09 0.05 0.00 -0.22 0.00 0.00 54.13 55.05 2bsh s LEU 92 Cb 0.00 -3.02 -0.01 0.00 0.50 0.00 0.00 46.19 43.66 2bsh s LEU 92 CO 0.00 -0.13 0.17 1.51 -1.32 0.00 0.00 176.35 176.58 2bsh s ASP 93 N 0.84 4.34 0.16 3.68 -4.77 -1.26 -4.95 116.67 114.71 2bsh s ASP 93 Ca 0.35 -1.35 -0.10 0.00 -3.30 0.00 0.00 52.55 48.15 2bsh s ASP 93 Cb -0.17 0.15 -0.00 0.00 -1.09 0.00 0.00 42.92 41.80 2bsh s ASP 93 CO 0.16 -0.81 1.51 -0.29 0.70 0.00 0.00 175.17 176.43 2bsh h ILE 94 N 1.22 1.27 -0.23 2.11 6.09 -1.96 -2.91 117.51 123.11 2bsh h ILE 94 Ca -0.42 -1.51 0.01 0.00 -1.37 0.00 0.00 64.86 61.57 2bsh h ILE 94 Cb 1.29 1.32 -0.01 0.00 0.47 0.00 0.00 36.82 39.88 2bsh h ILE 94 CO 0.69 0.51 0.14 0.44 -3.07 0.00 0.00 178.15 176.85 2bsh h ASP 95 N 0.77 0.22 0.00 2.19 3.32 -2.02 -0.30 116.42 120.60 2bsh h ASP 95 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2bsh h ASP 95 Cb 0.93 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.43 2bsh h ASP 95 CO 0.09 0.16 0.00 1.21 -1.72 0.00 0.00 179.24 178.98 2bsh n GLU 96 N -4.96 0.51 0.00 3.56 4.07 -1.10 -1.48 120.64 121.24 2bsh n GLU 96 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 2bsh n GLU 96 Cb 0.04 -1.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 2bsh n GLU 96 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2bsh n GLN 98 N 1.17 0.00 -0.29 5.31 7.27 -0.13 -0.78 117.38 129.94 2bsh n GLN 98 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.02 2bsh n GLN 98 Cb 0.25 0.00 0.07 0.00 2.41 0.00 0.00 30.24 32.97 2bsh n GLN 98 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bsh h ALA 99 N 0.00 1.01 0.10 1.69 0.00 -1.50 -0.71 119.26 119.84 2bsh h ALA 99 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2bsh h ALA 99 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2bsh h ALA 99 CO 0.00 0.54 -0.07 2.35 0.00 0.00 0.00 179.25 182.07 2bsh h TRP 100 N 1.10 -0.18 -0.87 0.00 7.01 -1.21 -0.19 115.95 121.60 2bsh h TRP 100 Ca 0.27 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 2bsh h TRP 100 Cb 0.06 0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.14 2bsh h TRP 100 CO 0.00 -0.11 0.52 1.25 -2.79 0.00 0.00 178.44 177.32 2bsh h LEU 101 N -0.17 1.05 -0.43 0.65 5.85 -1.74 0.15 115.31 120.67 2bsh h LEU 101 Ca -0.00 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2bsh h LEU 101 Cb 0.15 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2bsh h LEU 101 CO -0.00 0.81 0.20 -0.33 -0.34 0.00 0.00 178.44 178.78 2bsh h GLU 102 N 1.20 0.40 -0.62 1.25 5.08 -0.82 0.13 114.58 121.20 2bsh h GLU 102 Ca 0.31 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 2bsh h GLU 102 Cb -0.05 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2bsh h GLU 102 CO -0.06 0.26 0.32 0.00 -1.00 0.00 0.00 179.01 178.53 2bsh h ARG 103 N 0.41 0.88 0.12 2.33 3.08 -0.40 -0.72 114.38 120.08 2bsh h ARG 103 Ca 0.19 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2bsh h ARG 103 Cb 0.11 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2bsh h ARG 103 CO -0.14 0.68 -0.06 0.35 -1.07 0.00 0.00 179.97 179.73 2bsh h PHE 104 N 0.85 -0.15 -0.72 3.04 3.57 -0.08 -1.55 116.94 121.89 2bsh h PHE 104 Ca 0.22 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.79 2bsh h PHE 104 Cb 0.08 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 2bsh h PHE 104 CO -0.00 0.00 0.39 0.82 -2.23 0.00 0.00 178.31 177.29 2bsh h ILE 105 N -0.28 0.92 -0.61 1.41 2.04 -0.66 -0.01 117.51 120.33 2bsh h ILE 105 Ca -0.02 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 2bsh h ILE 105 Cb 0.22 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 2bsh h ILE 105 CO 0.03 0.13 0.15 -0.78 0.00 0.00 0.00 178.15 177.68 2bsh h ASP 106 N 0.69 0.89 -0.28 1.72 3.58 -1.00 -0.53 116.42 121.49 2bsh h ASP 106 Ca 0.34 -0.17 -0.07 0.00 0.42 0.00 0.00 57.03 57.55 2bsh h ASP 106 Cb 0.27 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2bsh h ASP 106 CO -0.22 0.86 -0.08 -0.78 -2.88 0.00 0.00 179.24 176.15 2bsh h ASP 107 N 0.91 0.56 -0.40 2.28 3.58 -0.61 -1.77 116.42 120.98 2bsh h ASP 107 Ca 0.20 -0.37 0.06 0.00 0.42 0.00 0.00 57.03 57.33 2bsh h ASP 107 Cb 0.32 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.17 2bsh h ASP 107 CO -0.00 0.80 0.11 0.40 -2.88 0.00 0.00 179.24 177.67 2bsh h ILE 108 N 0.31 0.83 -0.30 2.25 2.04 -0.79 0.61 117.51 122.46 2bsh h ILE 108 Ca 0.07 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2bsh h ILE 108 Cb 0.56 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 2bsh h ILE 108 CO 0.03 0.05 0.08 -0.33 0.00 0.00 0.00 178.15 177.97 2bsh h GLU 109 N 0.25 0.19 -0.47 2.37 5.08 -0.86 -1.34 114.58 119.80 2bsh h GLU 109 Ca 0.19 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 2bsh h GLU 109 Cb 0.21 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2bsh h GLU 109 CO -0.23 0.12 -0.11 1.96 -1.00 0.00 0.00 179.01 179.76 2bsh h GLN 110 N 0.19 0.87 0.00 2.33 4.20 -0.94 -2.48 115.11 119.29 2bsh h GLN 110 Ca 0.14 -0.30 -0.06 0.00 0.06 0.00 0.00 58.65 58.49 2bsh h GLN 110 Cb 0.14 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2bsh h GLN 110 CO -0.17 0.93 -0.28 0.00 -0.67 0.00 0.00 178.83 178.65 2bsh h ARG 111 N 0.78 0.00 0.00 1.46 3.08 -0.27 -2.70 114.38 116.73 2bsh h ARG 111 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2bsh h ARG 111 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2bsh h ARG 111 CO 0.04 0.28 -0.33 1.63 -1.07 0.00 0.00 179.97 180.52 2bsh n LYS 112 N -3.54 0.21 -1.74 0.04 5.02 -0.56 -4.72 118.16 112.87 2bsh n LYS 112 Ca -0.01 0.11 -0.33 0.00 -2.02 0.00 0.00 58.31 56.06 2bsh n LYS 112 Cb 0.42 -1.68 0.05 0.00 -0.02 0.00 0.00 35.03 33.80 2bsh n LYS 112 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2bsh s GLU 113 N -3.10 2.80 0.55 1.97 0.41 -0.96 -4.90 118.70 115.47 2bsh s GLU 113 Ca 0.09 1.34 0.31 0.00 -0.41 0.00 0.00 54.97 56.30 2bsh s GLU 113 Cb 0.14 -1.95 1.62 0.00 -1.78 0.00 0.00 34.13 32.16 2bsh s GLU 113 CO 0.65 -1.24 2.12 -1.00 -0.49 0.00 0.00 175.26 175.31 2bsh h PRO 114 N -0.05 0.00 0.00 0.39 0.13 -1.91 -0.90 132.00 129.66 2bsh h PRO 114 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2bsh h PRO 114 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2bsh h PRO 114 CO 0.54 0.08 -0.05 1.96 -0.23 0.00 0.00 178.00 180.30 2bsh h GLN 115 N 0.00 0.00 -3.98 0.86 7.50 -1.90 -3.23 115.11 114.35 2bsh h GLN 115 Ca -0.00 0.00 -0.76 0.00 0.50 0.00 0.00 58.65 58.39 2bsh h GLN 115 Cb 0.27 0.00 -0.18 0.00 0.05 0.00 0.00 27.48 27.62 2bsh h GLN 115 CO 0.01 0.05 1.56 -1.71 -1.50 0.00 0.00 178.83 177.23 2bsh n ASN 116 N -3.44 5.28 -4.87 1.46 5.15 -0.34 -4.45 115.26 114.03 2bsh n ASN 116 Ca -0.02 -3.07 -0.30 0.00 -0.60 0.00 0.00 54.58 50.58 2bsh n ASN 116 Cb 0.17 -1.50 -0.03 0.00 -0.53 0.00 0.00 39.78 37.89 2bsh n ASN 116 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2bsh s THR 117 N 0.53 4.76 0.53 -0.44 -4.23 -1.22 -4.59 115.64 110.98 2bsh s THR 117 Ca 0.40 0.67 0.25 0.00 -1.18 0.00 0.00 61.69 61.83 2bsh s THR 117 Cb 0.03 -3.73 0.39 0.00 1.34 0.00 0.00 72.50 70.53 2bsh s THR 117 CO 0.01 -0.53 2.00 0.50 -0.54 0.00 0.00 174.62 176.05 2bsh h LYS 118 N 1.23 0.00 -0.04 3.99 3.64 -1.89 -0.83 116.57 122.67 2bsh h LYS 118 Ca -0.47 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.80 2bsh h LYS 118 Cb 1.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2bsh h LYS 118 CO 0.64 0.00 -0.49 0.74 -2.27 0.00 0.00 179.45 178.06 2bsh h PHE 119 N 0.00 0.12 0.00 1.91 -1.00 -1.91 -3.40 116.94 112.66 2bsh h PHE 119 Ca 0.24 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.99 2bsh h PHE 119 Cb 0.99 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.53 2bsh h PHE 119 CO 0.00 0.57 0.00 1.04 -1.61 0.00 0.00 178.31 178.31 2bsh n GLN 120 N -3.95 0.00 -0.82 1.51 1.13 -0.33 -4.54 117.38 110.38 2bsh n GLN 120 Ca -0.02 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.76 2bsh n GLN 120 Cb 0.52 0.00 0.23 0.00 0.11 0.00 0.00 30.24 31.10 2bsh n GLN 120 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2bsh s PRO 121 N 0.00 -0.79 0.00 -1.09 0.04 -1.14 -4.41 135.00 127.61 2bsh s PRO 121 Ca 0.00 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2bsh s PRO 121 Cb 0.00 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.94 2bsh s PRO 121 CO 0.00 -3.55 0.00 0.09 0.04 0.00 0.00 177.00 173.58