#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bsh n ALA -1 N 0.00 1.02 0.00 4.61 0.00 -1.26 -1.68 120.51 123.20 2bsh n ALA -1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bsh n ALA -1 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2bsh n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bsh n GLY 1 N 0.71 0.00 0.24 0.00 0.00 -1.26 -1.37 105.19 103.50 2bsh n GLY 1 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2bsh n GLY 1 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2bsh h GLN 2 N 0.00 0.51 -0.39 1.61 5.75 -1.55 -1.74 115.11 119.31 2bsh h GLN 2 Ca 0.00 -0.21 -0.08 0.00 -0.15 0.00 0.00 58.65 58.21 2bsh h GLN 2 Cb 0.00 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 2bsh h GLN 2 CO 0.00 0.75 -0.10 1.15 -2.65 0.00 0.00 178.83 177.98 2bsh h THR 3 N 0.45 1.25 -0.80 2.39 2.02 -1.48 -1.14 112.91 115.60 2bsh h THR 3 Ca 0.06 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.12 2bsh h THR 3 Cb 0.73 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 2bsh h THR 3 CO 0.06 0.37 0.39 0.74 0.37 0.00 0.00 175.52 177.45 2bsh h THR 4 N 0.62 1.25 -0.18 3.16 2.02 -1.70 0.18 112.91 118.26 2bsh h THR 4 Ca 0.11 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 2bsh h THR 4 Cb 0.53 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2bsh h THR 4 CO 0.03 0.29 0.05 0.15 0.37 0.00 0.00 175.52 176.41 2bsh h PHE 5 N 1.12 0.29 -0.59 3.16 3.57 -0.97 -1.66 116.94 121.85 2bsh h PHE 5 Ca 0.27 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.77 2bsh h PHE 5 Cb 0.10 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 2bsh h PHE 5 CO 0.01 0.39 0.37 1.15 -2.23 0.00 0.00 178.31 178.00 2bsh h THR 6 N 0.10 1.09 -0.38 4.41 2.02 -0.83 -2.55 112.91 116.77 2bsh h THR 6 Ca 0.06 -0.25 0.06 0.00 0.77 0.00 0.00 66.41 67.04 2bsh h THR 6 Cb 0.24 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 2bsh h THR 6 CO -0.00 0.13 0.06 -0.08 0.37 0.00 0.00 175.52 176.00 2bsh h GLU 7 N 0.73 0.18 -0.96 6.66 4.81 -0.57 -0.36 114.58 125.08 2bsh h GLU 7 Ca 0.24 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2bsh h GLU 7 Cb -0.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2bsh h GLU 7 CO -0.09 0.12 0.00 -0.11 -0.73 0.00 0.00 179.01 178.20 2bsh n LEU 8 N -5.11 0.15 0.00 1.64 7.94 -0.63 -0.97 117.00 120.01 2bsh n LEU 8 Ca 0.02 -0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 2bsh n LEU 8 Cb 0.18 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.09 2bsh n LEU 8 CO 0.23 0.03 0.00 0.00 -1.11 0.00 0.00 177.39 176.54 2bsh n GLN 10 N 0.70 0.00 -0.17 1.96 6.02 -0.15 -0.79 117.38 124.96 2bsh n GLN 10 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 2bsh n GLN 10 Cb 0.03 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.33 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 0.55 0.16 -1.09 4.20 -1.31 -2.60 115.11 115.03 2bsh h GLN 11 Ca 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2bsh h GLN 11 Cb 0.00 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.66 2bsh h GLN 11 CO 0.00 0.37 -0.08 1.25 -0.67 0.00 0.00 178.83 179.70 2bsh h LEU 12 N 0.57 -0.19 -0.72 1.46 5.85 -1.22 0.39 115.31 121.45 2bsh h LEU 12 Ca 0.21 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.83 2bsh h LEU 12 Cb 0.05 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 2bsh h LEU 12 CO -0.11 0.07 0.38 -0.26 -0.34 0.00 0.00 178.44 178.19 2bsh h PHE 13 N -0.45 0.70 0.48 1.25 -1.00 -1.81 0.33 116.94 116.44 2bsh h PHE 13 Ca -0.02 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2bsh h PHE 13 Cb 0.35 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 2bsh h PHE 13 CO 0.00 0.29 -0.50 -0.07 -1.61 0.00 0.00 178.31 176.42 2bsh h LEU 14 N 0.67 -1.39 -1.16 1.54 3.38 -1.35 0.13 115.31 117.13 2bsh h LEU 14 Ca 0.34 0.11 0.17 0.00 0.09 0.00 0.00 57.88 58.60 2bsh h LEU 14 Cb 0.30 0.46 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 2bsh h LEU 14 CO -0.23 -0.66 0.61 0.50 0.09 0.00 0.00 178.44 178.75 2bsh h LYS 15 N -0.99 0.70 -0.00 1.13 1.63 -0.50 0.38 116.57 118.92 2bsh h LYS 15 Ca -0.06 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 2bsh h LYS 15 Cb 0.86 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2bsh h LYS 15 CO -0.08 0.46 -0.10 1.28 -3.45 0.00 0.00 179.45 177.56 2bsh n LEU 16 N -4.65 0.16 -4.10 5.20 4.77 0.11 -4.91 117.00 113.58 2bsh n LEU 16 Ca 0.21 0.31 -0.47 0.00 -0.03 0.00 0.00 56.01 56.02 2bsh n LEU 16 Cb 0.54 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 2bsh n LEU 16 CO 0.26 0.03 -0.17 0.61 -1.33 0.00 0.00 177.39 176.79 2bsh n GLY 17 N 1.43 -0.82 3.06 -0.72 0.00 0.13 -4.91 105.19 103.36 2bsh n GLY 17 Ca 0.09 0.33 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 2bsh n GLY 17 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bsh s LEU 18 N -7.51 0.42 -0.25 0.99 2.96 -0.86 -5.04 118.68 109.39 2bsh s LEU 18 Ca 0.49 0.52 -0.38 0.00 -0.22 0.00 0.00 54.13 54.55 2bsh s LEU 18 Cb -0.28 0.74 -0.14 0.00 0.50 0.00 0.00 46.19 47.01 2bsh s LEU 18 CO 0.97 -0.16 1.88 -3.20 -1.32 0.00 0.00 176.35 174.52 2bsh n ASN 19 N 4.21 2.58 -4.67 3.68 2.85 -1.26 -4.82 115.26 117.83 2bsh n ASN 19 Ca -0.25 0.91 -0.31 0.00 -0.11 0.00 0.00 54.58 54.82 2bsh n ASN 19 Cb 0.53 -1.22 -0.09 0.00 1.24 0.00 0.00 39.78 40.25 2bsh n ASN 19 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 2bsh s HIS 20 N 4.51 2.99 -0.08 1.20 -3.43 -1.26 -4.76 115.29 114.46 2bsh s HIS 20 Ca 1.00 -0.01 0.02 0.00 -0.80 0.00 0.00 55.06 55.27 2bsh s HIS 20 Cb -0.94 -1.58 -0.02 0.00 -1.43 0.00 0.00 32.58 28.61 2bsh s HIS 20 CO 0.59 0.46 -0.14 -0.65 -2.00 0.00 0.00 174.74 173.00 2bsh s GLN 21 N -1.99 2.87 -0.13 -0.38 1.11 -1.19 -4.98 119.66 114.97 2bsh s GLN 21 Ca 0.23 -0.70 0.01 0.00 0.01 0.00 0.00 55.36 54.91 2bsh s GLN 21 Cb -0.12 -2.48 -0.01 0.00 -1.01 0.00 0.00 33.01 29.40 2bsh s GLN 21 CO 0.15 0.44 -0.17 0.54 0.01 0.00 0.00 175.29 176.26 2bsh s VAL 22 N -0.26 2.65 0.31 1.09 0.11 -1.26 -1.47 120.40 121.58 2bsh s VAL 22 Ca 0.01 -0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 58.24 2bsh s VAL 22 Cb -0.13 -2.09 0.07 0.00 -1.53 0.00 0.00 36.38 32.70 2bsh s VAL 22 CO 0.03 0.53 0.42 -0.46 -3.33 0.00 0.00 175.10 172.29 2bsh n ASN 23 N 3.71 0.29 0.28 3.54 0.23 -0.81 -4.93 115.26 117.58 2bsh n ASN 23 Ca -0.19 -1.31 0.17 0.00 -0.53 0.00 0.00 54.58 52.72 2bsh n ASN 23 Cb 0.52 -0.30 0.74 0.00 -2.08 0.00 0.00 39.78 38.67 2bsh n ASN 23 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2bsh h GLU 24 N 0.00 0.00 -0.18 -3.83 3.07 -2.01 -1.87 114.58 109.76 2bsh h GLU 24 Ca -0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 2bsh h GLU 24 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 2bsh h GLU 24 CO 0.12 0.05 0.00 0.09 -1.40 0.00 0.00 179.01 177.87 2bsh n ASN 25 N -3.20 2.37 -0.89 1.42 5.03 -1.26 -4.94 115.26 113.78 2bsh n ASN 25 Ca -0.00 -1.80 -0.08 0.00 0.87 0.00 0.00 54.58 53.57 2bsh n ASN 25 Cb 0.28 -0.11 -0.00 0.00 -1.02 0.00 0.00 39.78 38.93 2bsh n ASN 25 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2bsh n ASP 26 N 0.80 -2.84 -4.66 6.41 8.00 -0.70 -4.96 116.55 118.60 2bsh n ASP 26 Ca 0.17 -0.01 -0.41 0.00 0.71 0.00 0.00 54.79 55.26 2bsh n ASP 26 Cb 0.46 -2.15 -0.05 0.00 -0.02 0.00 0.00 41.12 39.36 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 -2.39 4.96 -0.05 2.53 1.01 -1.26 -4.54 120.40 120.65 2bsh s VAL 27 Ca 0.00 1.36 -0.11 0.00 0.00 0.00 0.00 61.98 63.23 2bsh s VAL 27 Cb -0.00 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2bsh s VAL 27 CO 0.00 0.06 0.29 -0.31 0.00 0.00 0.00 175.10 175.15 2bsh s TYR 28 N 2.10 3.67 0.09 5.22 1.51 0.13 -1.92 117.35 128.15 2bsh s TYR 28 Ca 0.32 0.79 0.09 0.00 -1.01 0.00 0.00 57.07 57.26 2bsh s TYR 28 Cb -0.16 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 2bsh s TYR 28 CO 0.11 0.67 -0.22 0.99 -1.11 0.00 0.00 175.55 175.99 2bsh s THR 29 N -1.01 1.82 -0.27 -0.71 2.01 -0.54 -0.20 115.64 116.73 2bsh s THR 29 Ca 0.20 -1.50 -0.24 0.00 0.31 0.00 0.00 61.69 60.47 2bsh s THR 29 Cb -0.15 -1.62 0.07 0.00 0.01 0.00 0.00 72.50 70.81 2bsh s THR 29 CO 0.09 0.05 0.71 0.72 -0.69 0.00 0.00 174.62 175.50 2bsh s PHE 30 N -1.05 -0.83 0.19 4.92 -0.12 0.23 -3.20 117.98 118.13 2bsh s PHE 30 Ca 0.08 1.95 -0.10 0.00 -0.05 0.00 0.00 56.93 58.82 2bsh s PHE 30 Cb -0.10 0.32 -0.07 0.00 -0.63 0.00 0.00 43.02 42.55 2bsh s PHE 30 CO 0.04 -0.40 0.52 -1.21 -0.05 0.00 0.00 175.22 174.12 2bsh s GLU 31 N 0.56 3.80 -0.14 1.99 2.02 -1.26 -1.02 118.70 124.65 2bsh s GLU 31 Ca -0.01 0.26 0.01 0.00 0.02 0.00 0.00 54.97 55.24 2bsh s GLU 31 Cb -0.05 -2.74 0.02 0.00 0.10 0.00 0.00 34.13 31.46 2bsh s GLU 31 CO -0.02 0.38 -0.17 0.54 0.02 0.00 0.00 175.26 176.01 2bsh s VAL 32 N -1.71 1.71 -1.26 2.63 0.11 0.11 -4.77 120.40 117.22 2bsh s VAL 32 Ca 0.44 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 2bsh s VAL 32 Cb -0.12 -1.56 0.00 0.00 -1.53 0.00 0.00 36.38 33.17 2bsh s VAL 32 CO 0.21 0.48 0.00 -0.90 -3.33 0.00 0.00 175.10 171.56 2bsh n ASP 33 N 4.48 -3.65 -0.90 3.54 5.75 -1.26 -2.91 116.55 121.61 2bsh n ASP 33 Ca -0.19 0.26 -0.12 0.00 -0.01 0.00 0.00 54.79 54.74 2bsh n ASP 33 Cb 0.51 -3.28 -0.05 0.00 -1.03 0.00 0.00 41.12 37.27 2bsh n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bsh n GLY 34 N -0.47 1.24 0.00 6.12 0.00 -1.26 -4.73 105.19 106.08 2bsh n GLY 34 Ca -0.14 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2bsh n GLY 34 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2bsh n HIS 35 N -2.50 0.00 -4.05 1.61 1.44 -1.19 -5.06 115.22 105.47 2bsh n HIS 35 Ca -0.12 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.24 2bsh n HIS 35 Cb 0.46 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.45 2bsh n HIS 35 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2bsh s ILE 36 N -0.02 4.11 -0.14 0.61 1.01 -1.14 -5.00 121.20 120.63 2bsh s ILE 36 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.40 2bsh s ILE 36 Cb 0.00 -2.86 0.02 0.00 0.01 0.00 0.00 42.46 39.63 2bsh s ILE 36 CO 0.00 0.42 -0.15 -1.58 0.00 0.00 0.00 174.94 173.64 2bsh s GLN 37 N 0.95 2.29 -0.12 2.79 0.74 -1.26 0.07 119.66 125.12 2bsh s GLN 37 Ca 0.02 -0.56 -0.02 0.00 0.05 0.00 0.00 55.36 54.84 2bsh s GLN 37 Cb -0.14 -2.05 -0.03 0.00 1.10 0.00 0.00 33.01 31.89 2bsh s GLN 37 CO 0.02 -0.18 -0.03 0.08 -0.55 0.00 0.00 175.29 174.63 2bsh s VAL 38 N 1.32 4.01 -0.03 1.34 1.01 -0.19 -4.40 120.40 123.47 2bsh s VAL 38 Ca 0.01 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2bsh s VAL 38 Cb -0.13 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2bsh s VAL 38 CO -0.08 0.55 -0.11 -0.76 0.00 0.00 0.00 175.10 174.70 2bsh s LEU 39 N -0.28 2.93 -0.04 3.92 1.02 -0.48 -0.60 118.68 125.15 2bsh s LEU 39 Ca 0.05 -0.18 0.02 0.00 0.02 0.00 0.00 54.13 54.05 2bsh s LEU 39 Cb -0.12 -1.65 0.01 0.00 0.02 0.00 0.00 46.19 44.45 2bsh s LEU 39 CO 0.02 0.32 -0.09 -0.63 0.02 0.00 0.00 176.35 176.00 2bsh s ILE 40 N -0.85 0.82 0.17 -0.59 1.01 0.71 -1.30 121.20 121.18 2bsh s ILE 40 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 2bsh s ILE 40 Cb -0.11 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2bsh s ILE 40 CO 0.03 0.27 0.07 0.00 0.00 0.00 0.00 174.94 175.32 2bsh s ALA 41 N 0.57 1.15 -0.02 9.38 0.00 -0.46 0.19 121.76 132.58 2bsh s ALA 41 Ca -0.10 -1.61 0.07 0.00 0.00 0.00 0.00 51.96 50.32 2bsh s ALA 41 Cb -0.13 0.98 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 2bsh s ALA 41 CO 0.01 -0.48 -0.22 0.00 0.00 0.00 0.00 175.76 175.07 2bsh s TYR 43 N -0.68 2.74 -1.99 0.00 1.51 0.13 -4.67 117.35 114.38 2bsh s TYR 43 Ca 0.11 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 2bsh s TYR 43 Cb -0.10 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 40.00 2bsh s TYR 43 CO 0.00 -0.08 0.00 0.72 -1.11 0.00 0.00 175.55 175.08 2bsh n HIS 44 N 3.06 -0.53 -1.96 2.71 8.25 -1.26 -1.40 115.22 124.09 2bsh n HIS 44 Ca -0.18 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.08 2bsh n HIS 44 Cb 0.52 -3.76 -0.05 0.00 1.12 0.00 0.00 29.99 27.83 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 -2.72 -1.56 0.00 -0.41 3.00 -1.26 -4.68 117.38 109.74 2bsh n GLN 45 Ca -0.23 1.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.88 2bsh n GLN 45 Cb 0.69 -5.64 0.00 0.00 0.00 0.00 0.00 30.24 25.29 2bsh n GLN 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2bsh n GLN 46 N -2.66 4.05 -3.99 -1.09 6.02 -0.49 -4.50 117.38 114.72 2bsh n GLN 46 Ca -0.22 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.52 2bsh n GLN 46 Cb 0.68 -0.49 -0.17 0.00 1.02 0.00 0.00 30.24 31.28 2bsh n GLN 46 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2bsh s TRP 47 N -0.31 1.10 -0.13 1.08 0.52 -0.71 -0.93 118.94 119.56 2bsh s TRP 47 Ca 0.00 -0.45 -0.18 0.00 0.02 0.00 0.00 56.10 55.49 2bsh s TRP 47 Cb 0.00 -0.98 -0.04 0.00 -1.15 0.00 0.00 33.47 31.30 2bsh s TRP 47 CO 0.00 -0.37 0.47 0.08 0.02 0.00 0.00 176.95 177.15 2bsh s VAL 48 N 1.52 5.19 -0.14 4.03 1.01 0.50 -0.70 120.40 131.81 2bsh s VAL 48 Ca -0.00 0.93 0.01 0.00 0.00 0.00 0.00 61.98 62.91 2bsh s VAL 48 Cb -0.13 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.46 2bsh s VAL 48 CO -0.04 0.31 -0.15 -1.58 0.00 0.00 0.00 175.10 173.64 2bsh s GLN 49 N 0.76 2.31 0.15 2.72 2.00 -0.18 -1.35 119.66 126.07 2bsh s GLN 49 Ca 0.25 -0.57 -0.01 0.00 -2.00 0.00 0.00 55.36 53.03 2bsh s GLN 49 Cb -0.15 -2.07 -0.04 0.00 0.80 0.00 0.00 33.01 31.55 2bsh s GLN 49 CO 0.10 -0.18 0.33 -0.51 -0.50 0.00 0.00 175.29 174.53 2bsh s LEU 50 N 1.33 4.28 -0.15 3.68 1.43 0.08 -1.36 118.68 127.97 2bsh s LEU 50 Ca 0.02 0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 53.34 2bsh s LEU 50 Cb -0.13 -3.11 0.04 0.00 0.03 0.00 0.00 46.19 43.02 2bsh s LEU 50 CO -0.08 0.04 0.42 0.12 0.23 0.00 0.00 176.35 177.07 2bsh s PHE 51 N -1.73 -0.45 -0.16 0.29 5.36 -0.42 -2.64 117.98 118.23 2bsh s PHE 51 Ca 0.38 1.09 -0.14 0.00 -0.96 0.00 0.00 56.93 57.30 2bsh s PHE 51 Cb -0.12 0.16 0.04 0.00 -0.34 0.00 0.00 43.02 42.76 2bsh s PHE 51 CO 0.28 -0.23 0.41 0.45 -1.46 0.00 0.00 175.22 174.67 2bsh s SER 52 N 0.17 -0.44 0.25 6.13 0.15 -0.24 -1.38 113.70 118.34 2bsh s SER 52 Ca -0.00 0.84 -0.30 0.00 0.70 0.00 0.00 55.95 57.18 2bsh s SER 52 Cb -0.03 0.84 -0.09 0.00 -1.71 0.00 0.00 66.02 65.03 2bsh s SER 52 CO 0.01 -0.15 1.18 -1.61 1.20 0.00 0.00 173.24 173.88 2bsh s GLU 53 N 0.30 4.52 0.05 5.44 2.02 -1.26 -0.77 118.70 129.00 2bsh s GLU 53 Ca -0.01 1.92 0.22 0.00 0.02 0.00 0.00 54.97 57.12 2bsh s GLU 53 Cb -0.03 -3.19 -0.21 0.00 0.10 0.00 0.00 34.13 30.80 2bsh s GLU 53 CO -0.00 0.00 0.69 1.28 0.02 0.00 0.00 175.26 177.25 2bsh n LEU 54 N 1.72 0.32 0.00 1.80 4.77 -0.16 -4.87 117.00 120.58 2bsh n LEU 54 Ca 0.02 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2bsh n LEU 54 Cb 0.44 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2bsh n LEU 54 CO 0.56 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2bsh n GLY 55 N 1.24 0.74 3.63 -0.72 0.00 -1.24 -4.80 105.19 104.04 2bsh n GLY 55 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.34 -0.16 -0.75 4.61 0.00 -1.26 -5.02 121.76 116.83 2bsh s ALA 56 Ca 0.00 -0.96 -0.19 0.00 0.00 0.00 0.00 51.96 50.80 2bsh s ALA 56 Cb 0.00 1.01 0.12 0.00 0.00 0.00 0.00 23.12 24.24 2bsh s ALA 56 CO 0.00 -0.88 0.93 0.34 0.00 0.00 0.00 175.76 176.15 2bsh s ASP 57 N -3.07 6.40 0.78 0.00 2.15 -1.26 -0.72 116.67 120.95 2bsh s ASP 57 Ca 0.22 -1.67 -0.11 0.00 0.43 0.00 0.00 52.55 51.42 2bsh s ASP 57 Cb -0.02 -2.36 0.07 0.00 -0.30 0.00 0.00 42.92 40.32 2bsh s ASP 57 CO 0.12 -1.12 1.14 -0.76 -0.17 0.00 0.00 175.17 174.38 2bsh s LEU 58 N 2.77 2.58 0.09 -1.34 1.43 -1.26 -4.94 118.68 118.00 2bsh s LEU 58 Ca 0.22 0.73 -0.34 0.00 -1.03 0.00 0.00 54.13 53.72 2bsh s LEU 58 Cb -0.14 -3.27 -0.13 0.00 0.03 0.00 0.00 46.19 42.68 2bsh s LEU 58 CO -0.00 -1.82 1.66 -0.81 0.23 0.00 0.00 176.35 175.61 2bsh n PRO 59 N -3.23 2.14 -1.56 1.29 -0.04 -1.26 -4.91 135.00 127.44 2bsh n PRO 59 Ca 0.08 0.78 -0.46 0.00 -0.04 0.00 0.00 63.50 63.86 2bsh n PRO 59 Cb 0.61 -2.57 -0.02 0.00 -0.04 0.00 0.00 33.50 31.48 2bsh n PRO 59 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2bsh n THR 60 N 3.91 1.75 -3.94 0.52 -1.04 -1.26 -5.02 114.28 109.20 2bsh n THR 60 Ca 0.19 -0.44 -0.33 0.00 -2.04 0.00 0.00 64.05 61.43 2bsh n THR 60 Cb 0.29 -0.82 -0.05 0.00 -1.82 0.00 0.00 70.33 67.93 2bsh n THR 60 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2bsh s ASN 61 N -0.50 6.22 0.10 8.00 3.84 -1.26 -4.99 114.94 126.35 2bsh s ASN 61 Ca 0.63 0.28 0.19 0.00 0.21 0.00 0.00 52.86 54.16 2bsh s ASN 61 Cb -0.77 -1.91 0.79 0.00 -0.55 0.00 0.00 41.25 38.82 2bsh s ASN 61 CO 0.58 0.24 1.59 0.47 -2.79 0.00 0.00 177.10 177.18 2bsh n ASP 62 N 0.78 0.28 -3.65 -4.21 8.00 -1.26 -4.92 116.55 111.57 2bsh n ASP 62 Ca -0.10 0.56 -0.24 0.00 0.71 0.00 0.00 54.79 55.72 2bsh n ASP 62 Cb 0.52 -0.62 0.04 0.00 -0.02 0.00 0.00 41.12 41.04 2bsh n ASP 62 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2bsh n ASN 63 N -1.80 -3.41 -4.96 -2.24 3.02 -1.26 -5.00 115.26 99.61 2bsh n ASN 63 Ca 0.03 -0.89 -0.22 0.00 -0.03 0.00 0.00 54.58 53.47 2bsh n ASN 63 Cb 0.21 -3.90 0.01 0.00 -0.61 0.00 0.00 39.78 35.49 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 -6.43 3.75 0.61 3.41 1.43 -1.26 -5.07 118.68 115.12 2bsh s LEU 64 Ca 0.24 0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.58 2bsh s LEU 64 Cb -0.07 -3.08 0.09 0.00 0.03 0.00 0.00 46.19 43.16 2bsh s LEU 64 CO 0.83 -0.60 0.84 0.72 0.23 0.00 0.00 176.35 178.37 2bsh s PHE 65 N -2.45 1.69 0.00 0.29 -0.12 -1.26 -4.67 117.98 111.46 2bsh s PHE 65 Ca 0.47 -0.49 0.00 0.00 -0.05 0.00 0.00 56.93 56.86 2bsh s PHE 65 Cb -0.10 -2.55 0.00 0.00 -0.63 0.00 0.00 43.02 39.75 2bsh s PHE 65 CO 0.36 -1.27 0.00 0.41 -0.05 0.00 0.00 175.22 174.67 2bsh n GLY 66 N -2.43 2.96 0.12 1.99 0.00 -1.26 -4.94 105.19 101.63 2bsh n GLY 66 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 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 3.08 0.25 -4.90 1.61 4.81 -1.97 -3.46 114.58 114.01 2bsh h GLU 67 Ca 0.00 -0.43 -0.31 0.00 -0.13 0.00 0.00 59.36 58.49 2bsh h GLU 67 Cb 0.00 0.16 -0.18 0.00 0.63 0.00 0.00 28.75 29.36 2bsh h GLU 67 CO 0.00 1.11 -0.73 -1.01 -0.73 0.00 0.00 179.01 177.65 2bsh s HIS 68 N -2.61 1.01 -0.24 0.92 3.76 -1.26 -5.08 115.29 111.80 2bsh s HIS 68 Ca -0.11 -0.66 0.01 0.00 -0.15 0.00 0.00 55.06 54.15 2bsh s HIS 68 Cb 0.07 -0.56 0.06 0.00 1.11 0.00 0.00 32.58 33.26 2bsh s HIS 68 CO 0.84 -0.02 -0.06 -1.58 -0.85 0.00 0.00 174.74 173.07 2bsh s TRP 69 N -2.42 2.60 0.92 1.40 0.52 -1.26 -2.31 118.94 118.39 2bsh s TRP 69 Ca 0.04 -1.90 -0.12 0.00 0.02 0.00 0.00 56.10 54.14 2bsh s TRP 69 Cb -0.03 -1.68 0.14 0.00 -1.15 0.00 0.00 33.47 30.75 2bsh s TRP 69 CO -0.00 -0.80 1.10 -1.25 0.02 0.00 0.00 176.95 176.01 2bsh s PRO 70 N 1.32 1.09 0.78 4.98 0.04 -1.26 -5.02 135.00 136.93 2bsh s PRO 70 Ca -0.06 0.68 -0.13 0.00 0.04 0.00 0.00 61.00 61.53 2bsh s PRO 70 Cb -0.19 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.62 2bsh s PRO 70 CO -0.06 -2.32 1.17 0.00 0.04 0.00 0.00 177.00 175.83 2bsh s ALA 71 N -2.99 1.98 -0.19 8.56 0.00 -0.98 -4.95 121.76 123.20 2bsh s ALA 71 Ca 0.64 0.70 -0.04 0.00 0.00 0.00 0.00 51.96 53.25 2bsh s ALA 71 Cb -0.18 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.49 2bsh s ALA 71 CO 0.57 -2.07 -0.02 -1.01 0.00 0.00 0.00 175.76 173.23 2bsh s HIS 72 N -2.31 3.01 -0.11 0.00 3.76 -1.26 -4.49 115.29 113.88 2bsh s HIS 72 Ca 0.70 -0.50 -0.02 0.00 -0.15 0.00 0.00 55.06 55.09 2bsh s HIS 72 Cb -0.25 -2.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.36 2bsh s HIS 72 CO 0.50 -0.24 -0.04 0.08 -0.85 0.00 0.00 174.74 174.18 2bsh s VAL 73 N 0.91 3.88 -0.38 -0.90 1.01 0.10 -4.91 120.40 120.11 2bsh s VAL 73 Ca 0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 2bsh s VAL 73 Cb -0.14 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.60 2bsh s VAL 73 CO 0.02 0.55 0.33 -1.58 0.00 0.00 0.00 175.10 174.42 2bsh s GLN 74 N -0.28 3.24 0.44 2.72 0.74 -1.26 -0.65 119.66 124.61 2bsh s GLN 74 Ca 0.05 -0.75 0.08 0.00 0.05 0.00 0.00 55.36 54.79 2bsh s GLN 74 Cb -0.13 -3.90 0.02 0.00 1.10 0.00 0.00 33.01 30.10 2bsh s GLN 74 CO 0.02 -0.66 0.57 0.20 -0.55 0.00 0.00 175.29 174.87 2bsh s GLY 75 N 1.73 1.96 -0.14 2.59 0.00 -0.37 -4.90 107.32 108.19 2bsh s GLY 75 Ca 0.08 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 43.06 2bsh s GLY 75 CO 0.11 -1.55 -0.17 -1.60 0.00 0.00 0.00 173.10 169.89 2bsh s ARG 76 N -4.36 3.18 -0.05 2.90 3.52 -1.26 -1.43 118.95 121.45 2bsh s ARG 76 Ca 0.55 -0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 55.35 2bsh s ARG 76 Cb -0.08 -2.56 0.03 0.00 -1.56 0.00 0.00 34.95 30.78 2bsh s ARG 76 CO 0.33 0.05 0.06 -1.17 -0.81 0.00 0.00 175.30 173.76 2bsh s LEU 77 N 0.70 0.20 -1.11 -0.88 2.96 0.16 -4.87 118.68 115.84 2bsh s LEU 77 Ca -0.08 0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 2bsh s LEU 77 Cb -0.16 -0.18 0.01 0.00 0.50 0.00 0.00 46.19 46.36 2bsh s LEU 77 CO 0.01 -0.25 0.95 0.47 -1.32 0.00 0.00 176.35 176.21 2bsh n ASP 78 N 5.28 -4.22 0.00 3.68 8.00 -1.26 -2.19 116.55 125.84 2bsh n ASP 78 Ca -0.04 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 54.97 2bsh n ASP 78 Cb 0.50 -4.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.17 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 -1.52 0.22 3.34 0.44 0.00 -1.26 -4.99 105.19 101.43 2bsh n GLY 79 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.12 1.34 0.20 1.61 1.02 -0.93 -4.53 119.74 117.33 2bsh s LYS 80 Ca 0.00 -1.67 -0.13 0.00 0.02 0.00 0.00 55.97 54.19 2bsh s LYS 80 Cb 0.00 -0.73 -0.07 0.00 -0.52 0.00 0.00 37.83 36.51 2bsh s LYS 80 CO 0.00 -0.04 0.58 -1.12 -0.92 0.00 0.00 175.35 173.85 2bsh s SER 81 N -3.32 6.77 0.09 2.83 0.01 0.11 -0.67 113.70 119.51 2bsh s SER 81 Ca 0.27 1.07 0.02 0.00 1.31 0.00 0.00 55.95 58.61 2bsh s SER 81 Cb 0.05 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 2bsh s SER 81 CO 0.08 0.00 -0.07 0.27 0.41 0.00 0.00 173.24 173.94 2bsh s ILE 82 N -1.65 0.66 -0.01 1.44 -4.36 -0.51 -0.99 121.20 115.77 2bsh s ILE 82 Ca 0.43 -1.78 0.05 0.00 -0.26 0.00 0.00 60.65 59.09 2bsh s ILE 82 Cb -0.13 -1.49 -0.03 0.00 1.25 0.00 0.00 42.46 42.06 2bsh s ILE 82 CO 0.20 -0.79 -0.16 -0.22 0.24 0.00 0.00 174.94 174.21 2bsh s LEU 83 N -2.78 2.68 0.14 0.37 2.96 0.05 -1.23 118.68 120.87 2bsh s LEU 83 Ca 0.08 -0.29 -0.08 0.00 -0.22 0.00 0.00 54.13 53.62 2bsh s LEU 83 Cb 0.03 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.16 2bsh s LEU 83 CO -0.04 0.31 0.24 -1.66 -1.32 0.00 0.00 176.35 173.88 2bsh s TRP 84 N -0.81 0.37 -0.17 5.38 1.48 0.18 -1.08 118.94 124.28 2bsh s TRP 84 Ca 0.13 -0.75 -0.28 0.00 -1.06 0.00 0.00 56.10 54.14 2bsh s TRP 84 Cb -0.11 -0.09 0.07 0.00 -1.16 0.00 0.00 33.47 32.19 2bsh s TRP 84 CO 0.03 -0.66 0.71 0.45 -4.06 0.00 0.00 176.95 173.42 2bsh s SER 85 N -2.95 -0.70 0.07 -2.66 0.15 -1.08 0.01 113.70 106.55 2bsh s SER 85 Ca 0.14 1.10 -0.00 0.00 0.70 0.00 0.00 55.95 57.89 2bsh s SER 85 Cb 0.04 1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 65.33 2bsh s SER 85 CO -0.03 -0.41 -0.03 0.00 1.20 0.00 0.00 173.24 173.97 2bsh s GLN 86 N -0.34 0.72 0.10 5.44 -2.07 -1.26 -0.74 119.66 121.50 2bsh s GLN 86 Ca -0.05 -1.28 -0.25 0.00 -1.82 0.00 0.00 55.36 51.96 2bsh s GLN 86 Cb -0.03 0.09 0.07 0.00 -1.09 0.00 0.00 33.01 32.05 2bsh s GLN 86 CO 0.05 -0.10 0.63 1.14 -1.32 0.00 0.00 175.29 175.69 2bsh s GLN 87 N -3.91 1.20 0.44 9.60 -2.07 -0.46 -4.75 119.66 119.71 2bsh s GLN 87 Ca 0.10 -0.28 -0.25 0.00 -1.82 0.00 0.00 55.36 53.11 2bsh s GLN 87 Cb 0.07 0.56 -0.09 0.00 -1.09 0.00 0.00 33.01 32.46 2bsh s GLN 87 CO -0.07 -0.49 1.33 0.43 -1.32 0.00 0.00 175.29 175.17 2bsh n SER 88 N -0.05 2.83 -0.03 12.60 7.64 -1.26 -0.37 113.62 134.98 2bsh n SER 88 Ca -0.17 1.11 -0.09 0.00 1.01 0.00 0.00 58.87 60.72 2bsh n SER 88 Cb 0.63 -1.54 0.06 0.00 -1.01 0.00 0.00 64.21 62.35 2bsh n SER 88 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2bsh h LEU 89 N 2.14 0.70 -9.26 -3.43 5.85 -1.38 -3.42 115.31 106.50 2bsh h LEU 89 Ca -0.49 -0.34 -0.55 0.00 0.84 0.00 0.00 57.88 57.34 2bsh h LEU 89 Cb 1.29 -0.20 0.02 0.00 0.37 0.00 0.00 40.66 42.13 2bsh h LEU 89 CO 0.60 1.05 1.30 0.52 -0.34 0.00 0.00 178.44 181.57 2bsh n VAL 90 N -4.01 0.67 -0.73 1.05 0.31 -1.26 -2.03 118.33 112.33 2bsh n VAL 90 Ca -0.02 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2bsh n VAL 90 Cb 0.56 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.12 2bsh n VAL 90 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bsh n GLY 91 N 4.85 0.69 3.58 2.92 0.00 -1.26 -5.01 105.19 110.96 2bsh n GLY 91 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 4.21 0.51 0.99 2.96 -0.86 -5.04 118.68 121.46 2bsh s LEU 92 Ca 0.00 0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.21 2bsh s LEU 92 Cb 0.00 -2.70 0.02 0.00 0.50 0.00 0.00 46.19 44.02 2bsh s LEU 92 CO 0.00 -0.46 0.40 1.51 -1.32 0.00 0.00 176.35 176.48 2bsh s ASP 93 N 1.69 4.72 0.23 3.68 -4.77 -1.26 -5.03 116.67 115.93 2bsh s ASP 93 Ca 0.22 -1.11 -0.07 0.00 -3.30 0.00 0.00 52.55 48.29 2bsh s ASP 93 Cb -0.15 0.14 0.31 0.00 -1.09 0.00 0.00 42.92 42.14 2bsh s ASP 93 CO 0.12 -0.98 1.81 -0.29 0.70 0.00 0.00 175.17 176.53 2bsh h ILE 94 N 0.83 0.95 -0.39 2.11 6.09 -1.96 -2.69 117.51 122.45 2bsh h ILE 94 Ca -0.38 -0.26 -0.03 0.00 -1.37 0.00 0.00 64.86 62.82 2bsh h ILE 94 Cb 1.29 0.13 -0.02 0.00 0.47 0.00 0.00 36.82 38.69 2bsh h ILE 94 CO 0.57 0.14 0.12 0.44 -3.07 0.00 0.00 178.15 176.36 2bsh h ASP 95 N 0.76 0.57 0.00 2.19 3.32 -2.02 0.82 116.42 122.06 2bsh h ASP 95 Ca 0.35 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2bsh h ASP 95 Cb 0.26 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2bsh h ASP 95 CO -0.21 0.62 0.00 1.21 -1.72 0.00 0.00 179.24 179.14 2bsh n GLU 96 N -4.61 0.16 0.00 3.56 4.07 -1.02 -1.49 120.64 121.31 2bsh n GLU 96 Ca -0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2bsh n GLU 96 Cb 0.17 -1.31 0.00 0.00 -0.06 0.00 0.00 31.44 30.25 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 0.75 0.00 -0.26 5.31 7.27 0.28 -1.19 117.38 129.54 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 0.07 0.00 0.06 0.00 2.41 0.00 0.00 30.24 32.77 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 0.93 0.13 1.69 0.00 -1.51 -1.62 119.26 118.87 2bsh h ALA 99 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2bsh h ALA 99 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2bsh h ALA 99 CO 0.00 0.39 -0.06 2.35 0.00 0.00 0.00 179.25 181.93 2bsh h TRP 100 N 0.99 -0.16 -0.79 0.00 7.01 -1.42 -0.19 115.95 121.40 2bsh h TRP 100 Ca 0.26 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.35 2bsh h TRP 100 Cb -0.04 0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 27.00 2bsh h TRP 100 CO -0.01 -0.02 0.44 1.25 -2.79 0.00 0.00 178.44 177.30 2bsh h LEU 101 N -0.26 0.62 -0.41 0.65 5.85 -1.77 -0.02 115.31 119.97 2bsh h LEU 101 Ca -0.02 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2bsh h LEU 101 Cb 0.21 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2bsh h LEU 101 CO 0.03 0.36 0.12 -0.33 -0.34 0.00 0.00 178.44 178.28 2bsh h GLU 102 N 0.74 0.65 -0.54 1.25 5.08 -0.90 -0.53 114.58 120.33 2bsh h GLU 102 Ca 0.38 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 2bsh h GLU 102 Cb 0.35 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2bsh h GLU 102 CO -0.25 0.65 0.30 0.00 -1.00 0.00 0.00 179.01 178.71 2bsh h ARG 103 N 0.53 0.57 -0.40 2.33 3.08 -0.52 -0.50 114.38 119.47 2bsh h ARG 103 Ca 0.13 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 2bsh h ARG 103 Cb 0.27 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2bsh h ARG 103 CO -0.00 0.38 0.08 0.35 -1.07 0.00 0.00 179.97 179.70 2bsh h PHE 104 N 0.59 0.70 -0.71 3.04 3.57 -0.77 -1.70 116.94 121.66 2bsh h PHE 104 Ca 0.23 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2bsh h PHE 104 Cb 0.08 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2bsh h PHE 104 CO -0.08 0.68 0.29 0.82 -2.23 0.00 0.00 178.31 177.79 2bsh h ILE 105 N 0.52 1.25 -0.92 1.41 2.04 -0.70 -0.93 117.51 120.18 2bsh h ILE 105 Ca 0.12 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 2bsh h ILE 105 Cb 0.35 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 2bsh h ILE 105 CO 0.01 0.31 0.51 0.44 0.00 0.00 0.00 178.15 179.42 2bsh h ASP 106 N 1.02 1.14 -0.38 1.72 3.32 -0.93 -1.16 116.42 121.14 2bsh h ASP 106 Ca 0.24 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 2bsh h ASP 106 Cb 0.20 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2bsh h ASP 106 CO -0.02 0.90 -0.14 -0.78 -1.72 0.00 0.00 179.24 177.49 2bsh h ASP 107 N 1.28 0.78 -0.49 6.45 3.58 -1.00 -2.41 116.42 124.61 2bsh h ASP 107 Ca 0.32 -0.38 0.04 0.00 0.42 0.00 0.00 57.03 57.43 2bsh h ASP 107 Cb 0.01 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.80 2bsh h ASP 107 CO -0.05 0.99 0.24 0.40 -2.88 0.00 0.00 179.24 177.94 2bsh h ILE 108 N 0.57 0.95 -0.08 2.25 2.04 -0.83 -0.97 117.51 121.45 2bsh h ILE 108 Ca 0.09 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.83 2bsh h ILE 108 Cb 0.67 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 2bsh h ILE 108 CO 0.05 0.09 -0.26 -0.33 0.00 0.00 0.00 178.15 177.69 2bsh h GLU 109 N 0.48 -0.34 -0.71 2.37 5.08 -1.17 0.21 114.58 120.49 2bsh h GLU 109 Ca 0.22 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 2bsh h GLU 109 Cb 0.13 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 2bsh h GLU 109 CO -0.16 -0.23 0.41 1.96 -1.00 0.00 0.00 179.01 179.99 2bsh h GLN 110 N -0.36 0.73 0.00 2.33 4.20 -0.93 -1.96 115.11 119.12 2bsh h GLN 110 Ca 0.09 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.61 2bsh h GLN 110 Cb 0.48 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2bsh h GLN 110 CO -0.28 0.48 -0.68 0.00 -0.67 0.00 0.00 178.83 177.67 2bsh h ARG 111 N 0.75 0.00 0.00 1.46 3.08 -0.58 -2.34 114.38 116.75 2bsh h ARG 111 Ca 0.31 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 2bsh h ARG 111 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2bsh h ARG 111 CO -0.18 0.68 -0.13 0.87 -1.07 0.00 0.00 179.97 180.15 2bsh h LYS 112 N 0.00 0.00 -5.10 0.04 1.57 -0.49 -3.35 116.57 109.23 2bsh h LYS 112 Ca -0.01 0.00 -0.71 0.00 -1.87 0.00 0.00 60.65 58.07 2bsh h LYS 112 Cb 1.24 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.44 2bsh h LYS 112 CO 0.09 0.13 2.06 0.39 -0.57 0.00 0.00 179.45 181.55 2bsh n GLU 113 N -3.27 3.24 0.00 3.15 -0.58 -0.75 -5.09 120.64 117.34 2bsh n GLU 113 Ca 0.01 -3.38 0.00 0.00 -0.42 0.00 0.00 57.16 53.36 2bsh n GLU 113 Cb 0.39 -3.29 0.00 0.00 -0.57 0.00 0.00 31.44 27.97 2bsh n GLU 113 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35