#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsa n ASN 5 N 0.00 0.11 -4.94 4.38 6.94 -1.26 -4.81 115.26 115.68 1bsa n ASN 5 Ca 0.00 -1.79 -0.21 0.00 -0.02 0.00 0.00 54.58 52.56 1bsa n ASN 5 Cb 0.00 -0.14 -0.02 0.00 -2.36 0.00 0.00 39.78 37.25 1bsa n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bsa s THR 6 N 0.00 5.04 0.15 5.53 -4.23 -1.26 -0.24 115.64 120.63 1bsa s THR 6 Ca 0.06 -1.08 -0.18 0.00 -1.18 0.00 0.00 61.69 59.30 1bsa s THR 6 Cb 0.07 -3.74 0.02 0.00 1.34 0.00 0.00 72.50 70.19 1bsa s THR 6 CO -0.03 -0.33 1.69 -0.26 -0.54 0.00 0.00 174.62 175.15 1bsa h PHE 7 N 1.23 -0.13 -0.31 3.99 0.04 -1.98 -1.52 116.94 118.26 1bsa h PHE 7 Ca -0.51 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.25 1bsa h PHE 7 Cb 1.23 0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.47 1bsa h PHE 7 CO 0.47 -0.11 0.06 -0.44 -0.60 0.00 0.00 178.31 177.70 1bsa h ASP 8 N 0.02 0.48 0.02 2.17 3.32 -1.99 -1.59 116.42 118.85 1bsa h ASP 8 Ca 0.14 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 56.97 1bsa h ASP 8 Cb 0.21 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 1bsa h ASP 8 CO -0.29 0.60 -0.28 1.23 -1.72 0.00 0.00 179.24 178.79 1bsa h GLY 9 N 0.34 -0.46 1.36 2.75 0.00 -1.90 -1.56 103.07 103.60 1bsa h GLY 9 Ca 0.10 0.34 -0.16 0.00 0.00 0.00 0.00 47.33 47.61 1bsa h GLY 9 CO 0.00 -0.22 -0.47 -2.08 0.00 0.00 0.00 176.54 173.77 1bsa h VAL 10 N -0.44 1.30 -0.53 4.60 2.07 -1.31 -1.67 116.25 120.26 1bsa h VAL 10 Ca 0.06 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 1bsa h VAL 10 Cb 0.52 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1bsa h VAL 10 CO -0.23 0.53 0.32 0.00 0.02 0.00 0.00 177.57 178.22 1bsa h ALA 11 N 0.93 0.68 -0.08 1.67 0.00 -1.22 -0.18 119.26 121.06 1bsa h ALA 11 Ca 0.03 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1bsa h ALA 11 Cb 1.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1bsa h ALA 11 CO 0.10 0.15 -0.58 -0.44 0.00 0.00 0.00 179.25 178.48 1bsa h ASP 12 N 0.71 0.27 -0.31 0.00 3.32 -1.19 -2.88 116.42 116.34 1bsa h ASP 12 Ca 0.19 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1bsa h ASP 12 Cb -0.02 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1bsa h ASP 12 CO -0.04 0.79 0.08 0.22 -1.72 0.00 0.00 179.24 178.57 1bsa h TYR 13 N 0.18 0.52 -0.55 4.55 5.03 -0.84 -2.95 116.97 122.90 1bsa h TYR 13 Ca -0.00 -0.06 -0.08 0.00 2.58 0.00 0.00 58.73 61.17 1bsa h TYR 13 Cb 1.08 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 39.19 1bsa h TYR 13 CO 0.02 0.55 0.03 -0.07 -1.32 0.00 0.00 178.16 177.37 1bsa h LEU 14 N 0.34 0.89 -1.18 2.82 3.38 -0.96 0.27 115.31 120.87 1bsa h LEU 14 Ca 0.10 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1bsa h LEU 14 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1bsa h LEU 14 CO 0.00 0.93 -0.29 1.56 0.09 0.00 0.00 178.44 180.73 1bsa h GLN 15 N 0.86 0.00 0.00 1.13 4.20 -1.54 0.99 115.11 120.76 1bsa h GLN 15 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1bsa h GLN 15 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1bsa h GLN 15 CO 0.02 0.29 0.00 2.41 -0.67 0.00 0.00 178.83 180.88 1bsa n THR 16 N -3.56 0.00 0.56 -0.54 -1.04 -1.12 -4.57 114.28 104.01 1bsa n THR 16 Ca -0.01 0.08 0.12 0.00 -2.04 0.00 0.00 64.05 62.20 1bsa n THR 16 Cb 0.43 -0.46 0.45 0.00 -1.82 0.00 0.00 70.33 68.94 1bsa n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bsa n TYR 17 N -0.98 0.64 -3.34 -1.42 4.02 0.95 -4.90 117.16 112.13 1bsa n TYR 17 Ca 0.00 0.22 -0.23 0.00 -0.01 0.00 0.00 57.90 57.88 1bsa n TYR 17 Cb 0.00 -0.85 0.06 0.00 -0.02 0.00 0.00 39.34 38.53 1bsa n TYR 17 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1bsa n HIS 18 N -2.05 -2.49 -3.49 -0.72 8.25 0.34 -4.97 115.22 110.08 1bsa n HIS 18 Ca 0.04 0.80 -0.09 0.00 -0.26 0.00 0.00 57.72 58.21 1bsa n HIS 18 Cb 0.30 -4.81 -0.02 0.00 1.12 0.00 0.00 29.99 26.58 1bsa n HIS 18 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1bsa s LYS 19 N -6.05 0.95 0.59 -0.41 3.01 -1.25 -5.05 119.74 111.54 1bsa s LYS 19 Ca 0.46 -0.36 -0.15 0.00 -1.01 0.00 0.00 55.97 54.92 1bsa s LYS 19 Cb -0.20 0.43 -0.04 0.00 -1.01 0.00 0.00 37.83 37.01 1bsa s LYS 19 CO 0.57 -0.42 1.04 -0.51 0.51 0.00 0.00 175.35 176.55 1bsa s LEU 20 N -2.57 3.45 0.85 3.17 1.43 -1.26 -3.94 118.68 119.82 1bsa s LEU 20 Ca 0.04 1.71 -0.10 0.00 -1.03 0.00 0.00 54.13 54.75 1bsa s LEU 20 Cb -0.01 -4.52 0.10 0.00 0.03 0.00 0.00 46.19 41.79 1bsa s LEU 20 CO -0.10 -1.08 1.11 -2.84 0.23 0.00 0.00 176.35 173.68 1bsa s PRO 21 N -4.28 1.61 0.00 1.29 0.02 -1.26 -4.87 135.00 127.50 1bsa s PRO 21 Ca 0.61 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.92 1bsa s PRO 21 Cb -0.14 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1bsa s PRO 21 CO 0.39 -2.14 0.87 -0.40 -0.33 0.00 0.00 177.00 175.40 1bsa n ASP 22 N -3.87 0.00 -1.41 2.53 5.68 -1.26 -2.54 116.55 115.68 1bsa n ASP 22 Ca 0.10 0.38 0.06 0.00 -0.50 0.00 0.00 54.79 54.83 1bsa n ASP 22 Cb 0.53 -0.38 0.29 0.00 -1.14 0.00 0.00 41.12 40.42 1bsa n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1bsa n ASN 23 N -1.37 4.14 -4.71 -1.12 6.94 -1.26 -4.91 115.26 112.96 1bsa n ASN 23 Ca 0.00 -2.50 -0.31 0.00 -0.02 0.00 0.00 54.58 51.76 1bsa n ASN 23 Cb 0.04 -0.56 -0.08 0.00 -2.36 0.00 0.00 39.78 36.82 1bsa n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bsa s TYR 24 N -2.01 3.06 -0.01 -2.53 2.02 -1.05 -0.91 117.35 115.92 1bsa s TYR 24 Ca 0.40 0.02 -0.09 0.00 -0.37 0.00 0.00 57.07 57.04 1bsa s TYR 24 Cb 0.28 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 40.26 1bsa s TYR 24 CO 0.16 0.49 0.18 0.96 -1.57 0.00 0.00 175.55 175.77 1bsa s ILE 25 N -1.30 0.07 1.08 2.71 -4.36 -0.25 -4.88 121.20 114.27 1bsa s ILE 25 Ca 0.26 -0.59 -0.17 0.00 -0.26 0.00 0.00 60.65 59.88 1bsa s ILE 25 Cb -0.12 -0.46 0.24 0.00 1.25 0.00 0.00 42.46 43.37 1bsa s ILE 25 CO 0.18 -0.33 1.19 0.42 0.24 0.00 0.00 174.94 176.64 1bsa s THR 26 N -1.25 1.80 0.22 8.37 -4.23 -1.21 -0.54 115.64 118.79 1bsa s THR 26 Ca -0.13 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.35 1bsa s THR 26 Cb -0.07 -2.70 0.02 0.00 1.34 0.00 0.00 72.50 71.10 1bsa s THR 26 CO 0.02 0.00 1.62 0.11 -0.54 0.00 0.00 174.62 175.83 1bsa h LYS 27 N -2.11 0.68 -0.18 3.99 1.57 -1.97 -2.29 116.57 116.28 1bsa h LYS 27 Ca -0.46 -0.30 -0.17 0.00 -1.87 0.00 0.00 60.65 57.86 1bsa h LYS 27 Cb 1.28 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1bsa h LYS 27 CO 0.40 0.89 -0.57 0.66 -0.57 0.00 0.00 179.45 180.26 1bsa h SER 28 N 0.59 0.63 -0.70 0.86 4.64 -1.99 -1.63 113.55 115.94 1bsa h SER 28 Ca 0.07 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1bsa h SER 28 Cb 0.79 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1bsa h SER 28 CO 0.06 1.07 0.45 -0.33 -0.87 0.00 0.00 176.83 177.21 1bsa h GLU 29 N 0.43 0.94 -0.19 4.77 5.08 -1.86 -2.14 114.58 121.62 1bsa h GLU 29 Ca 0.00 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1bsa h GLU 29 Cb 1.12 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1bsa h GLU 29 CO 0.11 0.65 0.04 0.00 -1.00 0.00 0.00 179.01 178.80 1bsa h ALA 30 N 1.24 0.19 -0.49 3.43 0.00 -1.28 -2.38 119.26 119.97 1bsa h ALA 30 Ca 0.26 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1bsa h ALA 30 Cb -0.07 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1bsa h ALA 30 CO -0.05 -0.40 0.31 1.96 0.00 0.00 0.00 179.25 181.07 1bsa h GLN 31 N 0.11 0.66 -0.57 0.00 4.20 -1.13 -1.35 115.11 117.04 1bsa h GLN 31 Ca 0.08 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.77 1bsa h GLN 31 Cb 0.08 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 1bsa h GLN 31 CO -0.11 0.46 0.34 0.00 -0.67 0.00 0.00 178.83 178.85 1bsa h ALA 32 N 1.16 0.74 0.00 3.87 0.00 -1.19 0.17 119.26 124.01 1bsa h ALA 32 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bsa h ALA 32 Cb -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1bsa h ALA 32 CO -0.04 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1bsa n LEU 33 N -4.78 0.00 0.00 0.00 4.77 -0.91 -4.84 117.00 111.24 1bsa n LEU 33 Ca 0.05 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1bsa n LEU 33 Cb 0.10 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1bsa n LEU 33 CO 0.32 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1bsa n GLY 34 N -0.51 1.08 3.68 -0.72 0.00 0.59 -4.91 105.19 104.40 1bsa n GLY 34 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1bsa n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bsa s TRP 35 N -2.00 2.46 -0.32 1.61 -0.00 -0.55 -4.95 118.94 115.20 1bsa s TRP 35 Ca 0.00 0.50 0.03 0.00 -0.00 0.00 0.00 56.10 56.63 1bsa s TRP 35 Cb 0.00 -3.81 0.09 0.00 -0.00 0.00 0.00 33.47 29.74 1bsa s TRP 35 CO 0.00 -3.21 0.00 0.08 -0.00 0.00 0.00 176.95 173.82 1bsa s VAL 36 N 3.05 2.32 0.35 5.86 1.01 -1.26 -4.45 120.40 127.28 1bsa s VAL 36 Ca 0.69 -2.06 0.10 0.00 0.00 0.00 0.00 61.98 60.71 1bsa s VAL 36 Cb -0.34 -2.59 0.33 0.00 0.00 0.00 0.00 36.38 33.79 1bsa s VAL 36 CO 0.28 -0.40 1.81 0.00 0.00 0.00 0.00 175.10 176.79 1bsa h ALA 37 N 7.70 1.88 0.00 5.51 0.00 -2.00 -0.34 119.26 132.00 1bsa h ALA 37 Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bsa h ALA 37 Cb 1.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1bsa h ALA 37 CO 0.51 -0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.42 1bsa n SER 38 N -4.66 0.00 -0.40 0.00 3.41 -1.26 -2.71 113.62 108.00 1bsa n SER 38 Ca 0.22 -1.05 0.05 0.00 -0.26 0.00 0.00 58.87 57.83 1bsa n SER 38 Cb 0.62 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.61 1bsa n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bsa n LYS 39 N -0.97 0.38 -4.26 4.33 5.02 -0.15 -5.03 118.16 117.48 1bsa n LYS 39 Ca 0.23 -1.09 -0.32 0.00 -2.02 0.00 0.00 58.31 55.10 1bsa n LYS 39 Cb 0.10 -1.19 -0.07 0.00 -0.02 0.00 0.00 35.03 33.85 1bsa n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bsa n GLY 40 N 0.56 -0.22 1.24 0.72 0.00 -1.10 -4.86 105.19 101.54 1bsa n GLY 40 Ca 0.06 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.31 1bsa n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bsa n ASN 41 N -2.82 4.54 -0.18 1.61 6.94 -1.26 -3.92 115.26 120.16 1bsa n ASN 41 Ca -0.22 -2.98 -0.01 0.00 -0.02 0.00 0.00 54.58 51.35 1bsa n ASN 41 Cb 0.64 -0.59 0.08 0.00 -2.36 0.00 0.00 39.78 37.55 1bsa n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bsa h LEU 42 N 2.58 -0.12 -1.54 -4.53 5.85 -1.88 -0.60 115.31 115.08 1bsa h LEU 42 Ca 0.00 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1bsa h LEU 42 Cb 1.63 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 1bsa h LEU 42 CO 0.32 -0.04 -0.22 0.00 -0.34 0.00 0.00 178.44 178.16 1bsa h ALA 43 N 1.46 1.25 -0.00 1.25 0.00 -1.85 0.42 119.26 121.78 1bsa h ALA 43 Ca 0.28 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 1bsa h ALA 43 Cb 0.42 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1bsa h ALA 43 CO -0.41 0.27 -0.96 -0.44 0.00 0.00 0.00 179.25 177.71 1bsa h ASP 44 N 0.00 0.65 0.29 0.00 3.32 -1.49 -3.27 116.42 115.92 1bsa h ASP 44 Ca -0.00 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1bsa h ASP 44 Cb 0.53 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1bsa h ASP 44 CO 0.03 1.31 -1.62 1.33 -1.72 0.00 0.00 179.24 178.57 1bsa n VAL 45 N -3.78 0.18 -3.15 -1.35 0.24 -0.72 -4.61 118.33 105.13 1bsa n VAL 45 Ca -0.08 -0.47 -0.22 0.00 -2.04 0.00 0.00 64.34 61.53 1bsa n VAL 45 Cb 0.84 -0.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.13 1bsa n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bsa n ALA 46 N -2.17 1.98 -1.61 2.33 0.00 0.14 -4.91 120.51 116.27 1bsa n ALA 46 Ca -0.02 -3.12 -0.52 0.00 0.00 0.00 0.00 53.44 49.77 1bsa n ALA 46 Cb 0.54 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 1bsa n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bsa n PRO 47 N 1.56 1.24 -0.98 0.00 -0.02 -1.23 -1.66 135.00 133.92 1bsa n PRO 47 Ca 0.20 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1bsa n PRO 47 Cb 0.54 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1bsa n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bsa n GLY 48 N 2.85 0.39 3.94 -1.23 0.00 -1.26 -5.02 105.19 104.86 1bsa n GLY 48 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1bsa n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bsa s LYS 49 N -0.57 3.37 0.03 1.61 -0.14 -0.66 -4.81 119.74 118.56 1bsa s LYS 49 Ca 0.00 -0.72 0.02 0.00 -1.36 0.00 0.00 55.97 53.91 1bsa s LYS 49 Cb 0.00 -2.88 -0.02 0.00 -1.68 0.00 0.00 37.83 33.25 1bsa s LYS 49 CO 0.00 0.47 -0.07 -1.12 -0.76 0.00 0.00 175.35 173.87 1bsa s SER 50 N -3.62 0.75 0.08 2.83 0.01 -0.09 -4.82 113.70 108.85 1bsa s SER 50 Ca 0.34 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.86 1bsa s SER 50 Cb -0.10 0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 1bsa s SER 50 CO 0.28 -0.15 0.96 -0.69 0.41 0.00 0.00 173.24 174.05 1bsa s VAL 51 N -1.10 4.60 -0.14 3.43 1.01 -1.26 -1.10 120.40 125.84 1bsa s VAL 51 Ca -0.08 2.06 -0.34 0.00 0.00 0.00 0.00 61.98 63.63 1bsa s VAL 51 Cb -0.08 -4.32 0.13 0.00 0.00 0.00 0.00 36.38 32.11 1bsa s VAL 51 CO 0.00 0.28 1.19 -0.83 0.00 0.00 0.00 175.10 175.74 1bsa s GLY 52 N 0.24 -0.32 0.00 4.51 0.00 0.29 -1.57 107.32 110.47 1bsa s GLY 52 Ca 0.48 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.57 1bsa s GLY 52 CO 0.29 0.44 0.00 0.61 0.00 0.00 0.00 173.10 174.44 1bsa n GLY 53 N -0.18 0.43 3.78 0.20 0.00 -0.05 -3.34 105.19 106.04 1bsa n GLY 53 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1bsa n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bsa s ASP 54 N -2.41 5.26 0.36 1.61 1.01 -1.24 -4.76 116.67 116.49 1bsa s ASP 54 Ca 0.00 1.90 -0.25 0.00 0.71 0.00 0.00 52.55 54.91 1bsa s ASP 54 Cb 0.00 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.30 1bsa s ASP 54 CO 0.00 -1.53 1.03 -0.63 0.21 0.00 0.00 175.17 174.25 1bsa s ILE 55 N -2.48 3.82 -0.18 0.77 -1.09 -1.26 -1.65 121.20 119.13 1bsa s ILE 55 Ca 0.65 1.49 0.00 0.00 -2.23 0.00 0.00 60.65 60.56 1bsa s ILE 55 Cb -0.18 -3.82 0.01 0.00 -1.58 0.00 0.00 42.46 36.89 1bsa s ILE 55 CO 0.43 0.10 -0.17 0.12 -1.23 0.00 0.00 174.94 174.19 1bsa s PHE 56 N -1.56 2.79 0.12 3.97 2.19 -0.28 -4.84 117.98 120.38 1bsa s PHE 56 Ca 0.53 -1.36 -0.15 0.00 0.33 0.00 0.00 56.93 56.28 1bsa s PHE 56 Cb -0.23 -1.93 -0.02 0.00 -1.31 0.00 0.00 43.02 39.54 1bsa s PHE 56 CO 0.29 -0.67 1.60 0.66 1.83 0.00 0.00 175.22 178.93 1bsa h SER 57 N 7.75 0.63 -0.75 6.13 4.64 -1.97 -3.37 113.55 126.62 1bsa h SER 57 Ca -0.41 -0.26 -0.13 0.00 -0.47 0.00 0.00 61.79 60.53 1bsa h SER 57 Cb 1.16 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 1bsa h SER 57 CO 0.61 0.73 -0.15 -3.20 -0.87 0.00 0.00 176.83 173.95 1bsa n ASN 58 N -4.52 -2.82 -0.22 4.97 5.15 -1.26 -4.88 115.26 111.68 1bsa n ASN 58 Ca -0.01 0.04 0.02 0.00 -0.60 0.00 0.00 54.58 54.03 1bsa n ASN 58 Cb 0.23 -1.84 0.12 0.00 -0.53 0.00 0.00 39.78 37.77 1bsa n ASN 58 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1bsa h ARG 59 N 0.00 0.13 0.00 1.20 -0.00 -2.00 0.17 114.38 113.89 1bsa h ARG 59 Ca -0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.83 1bsa h ARG 59 Cb 0.93 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.87 1bsa h ARG 59 CO 0.18 0.09 0.00 -0.85 -0.00 0.00 0.00 179.97 179.39 1bsa n GLU 60 N -5.27 0.43 -1.01 0.08 0.28 -1.26 -4.82 120.64 109.07 1bsa n GLU 60 Ca 0.10 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 57.06 1bsa n GLU 60 Cb 0.39 -1.26 -0.02 0.00 1.43 0.00 0.00 31.44 31.97 1bsa n GLU 60 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1bsa n GLY 61 N -0.11 0.44 0.31 -1.84 0.00 0.61 -4.81 105.19 99.79 1bsa n GLY 61 Ca 0.05 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.24 1bsa n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bsa h LYS 62 N 0.00 0.00 -6.23 1.61 1.57 -1.88 -3.41 116.57 108.23 1bsa h LYS 62 Ca -0.10 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.02 1bsa h LYS 62 Cb 0.91 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.07 1bsa h LYS 62 CO 0.14 0.00 -0.67 -0.51 -0.57 0.00 0.00 179.45 177.84 1bsa s LEU 63 N -7.29 3.35 0.04 2.94 1.43 -1.26 -4.96 118.68 112.94 1bsa s LEU 63 Ca -0.05 -0.08 -0.35 0.00 -1.03 0.00 0.00 54.13 52.62 1bsa s LEU 63 Cb 0.14 -1.93 -0.14 0.00 0.03 0.00 0.00 46.19 44.30 1bsa s LEU 63 CO 0.51 0.27 1.67 -0.81 0.23 0.00 0.00 176.35 178.23 1bsa n PRO 64 N 1.41 1.99 -3.93 1.29 -0.04 -1.26 -4.98 135.00 129.49 1bsa n PRO 64 Ca -0.15 0.72 -0.21 0.00 -0.04 0.00 0.00 63.50 63.83 1bsa n PRO 64 Cb 0.53 -2.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.46 1bsa n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1bsa s GLY 65 N 2.12 1.22 -0.11 0.55 0.00 -1.26 -5.07 107.32 104.77 1bsa s GLY 65 Ca 0.85 -1.22 -0.31 0.00 0.00 0.00 0.00 44.72 44.05 1bsa s GLY 65 CO 0.45 -1.23 1.03 1.25 0.00 0.00 0.00 173.10 174.60 1bsa s LYS 66 N -4.00 0.58 0.10 2.90 2.20 -1.26 -5.08 119.74 115.17 1bsa s LYS 66 Ca 0.35 -0.13 -0.31 0.00 -0.36 0.00 0.00 55.97 55.51 1bsa s LYS 66 Cb -0.09 0.27 -0.08 0.00 -1.51 0.00 0.00 37.83 36.42 1bsa s LYS 66 CO 0.29 -0.24 1.39 -1.12 -0.36 0.00 0.00 175.35 175.32 1bsa s SER 67 N -2.02 6.83 0.00 1.43 0.01 -1.26 -2.38 113.70 116.31 1bsa s SER 67 Ca 0.05 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.60 1bsa s SER 67 Cb -0.01 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1bsa s SER 67 CO -0.05 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.54 1bsa n GLY 68 N 3.52 0.78 3.58 3.44 0.00 -1.26 -5.01 105.19 110.23 1bsa n GLY 68 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1bsa n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bsa s ARG 69 N -0.02 3.80 0.03 1.61 3.52 -1.00 -4.90 118.95 121.98 1bsa s ARG 69 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.51 1bsa s ARG 69 Cb 0.00 -3.74 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 1bsa s ARG 69 CO 0.00 -0.46 0.11 0.99 -0.81 0.00 0.00 175.30 175.14 1bsa s THR 70 N 2.19 4.87 0.15 4.11 2.01 -1.26 -4.77 115.64 122.94 1bsa s THR 70 Ca 0.16 -0.48 0.08 0.00 0.31 0.00 0.00 61.69 61.76 1bsa s THR 70 Cb -0.16 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1bsa s THR 70 CO 0.11 0.25 -0.07 0.26 -0.69 0.00 0.00 174.62 174.48 1bsa s TRP 71 N -1.32 2.73 0.06 4.92 0.52 -1.26 -2.07 118.94 122.52 1bsa s TRP 71 Ca 0.27 -0.17 0.02 0.00 0.02 0.00 0.00 56.10 56.23 1bsa s TRP 71 Cb -0.12 -1.36 -0.03 0.00 -1.15 0.00 0.00 33.47 30.80 1bsa s TRP 71 CO 0.19 0.48 -0.06 1.03 0.02 0.00 0.00 176.95 178.61 1bsa s ARG 72 N -2.63 0.63 0.14 4.98 0.52 -0.17 -1.12 118.95 121.30 1bsa s ARG 72 Ca 0.24 -1.01 0.05 0.00 -0.52 0.00 0.00 55.73 54.50 1bsa s ARG 72 Cb -0.10 -0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.16 1bsa s ARG 72 CO 0.16 -0.00 -0.12 -1.83 0.02 0.00 0.00 175.30 173.52 1bsa s GLU 73 N -2.64 1.07 -0.03 3.54 -1.05 -0.66 -0.78 118.70 118.15 1bsa s GLU 73 Ca -0.01 -1.37 -0.15 0.00 -0.15 0.00 0.00 54.97 53.30 1bsa s GLU 73 Cb -0.03 -0.80 0.02 0.00 -0.44 0.00 0.00 34.13 32.89 1bsa s GLU 73 CO -0.03 0.13 0.31 0.00 0.95 0.00 0.00 175.26 176.62 1bsa s ALA 74 N -2.75 -0.79 0.24 -0.84 0.00 -0.12 -0.87 121.76 116.64 1bsa s ALA 74 Ca 0.14 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 1bsa s ALA 74 Cb -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 23.12 23.03 1bsa s ALA 74 CO 0.02 -0.25 1.00 -0.51 0.00 0.00 0.00 175.76 176.03 1bsa s ASP 75 N -1.18 7.49 0.08 0.00 1.11 -0.61 -0.46 116.67 123.11 1bsa s ASP 75 Ca -0.12 2.06 0.09 0.00 0.18 0.00 0.00 52.55 54.75 1bsa s ASP 75 Cb -0.05 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.29 1bsa s ASP 75 CO 0.04 0.03 -0.22 -0.63 1.18 0.00 0.00 175.17 175.56 1bsa s ILE 76 N -1.06 2.52 -1.97 0.77 -1.09 -0.80 -4.68 121.20 114.89 1bsa s ILE 76 Ca 0.43 -1.45 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 1bsa s ILE 76 Cb -0.28 -2.08 0.00 0.00 -1.58 0.00 0.00 42.46 38.52 1bsa s ILE 76 CO 0.35 0.23 0.00 0.59 -1.23 0.00 0.00 174.94 174.88 1bsa n ASN 77 N 1.27 -5.44 -4.73 3.58 3.02 0.67 -4.57 115.26 109.07 1bsa n ASN 77 Ca -0.17 0.46 -0.41 0.00 -0.03 0.00 0.00 54.58 54.43 1bsa n ASN 77 Cb 0.52 -4.57 -0.04 0.00 -0.61 0.00 0.00 39.78 35.08 1bsa n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bsa s TYR 78 N -2.63 3.79 0.04 3.10 5.04 -1.26 -4.92 117.35 120.51 1bsa s TYR 78 Ca 0.00 1.78 0.00 0.00 -2.44 0.00 0.00 57.07 56.41 1bsa s TYR 78 Cb 0.00 -3.07 0.00 0.00 0.35 0.00 0.00 41.96 39.24 1bsa s TYR 78 CO 0.00 0.17 0.00 0.25 -1.34 0.00 0.00 175.55 174.63 1bsa n THR 79 N 2.97 0.12 -3.57 4.34 -2.24 -1.26 -4.95 114.28 109.69 1bsa n THR 79 Ca 0.03 0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.76 1bsa n THR 79 Cb 0.49 -0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 67.75 1bsa n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bsa s SER 80 N -5.09 -0.38 0.00 3.42 1.04 -1.26 -4.79 113.70 106.64 1bsa s SER 80 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1bsa s SER 80 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1bsa s SER 80 CO 0.00 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1bsa n GLY 81 N -0.36 -0.60 3.76 7.32 0.00 -1.25 -4.90 105.19 109.15 1bsa n GLY 81 Ca -0.10 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 1bsa n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bsa s PHE 82 N 0.00 2.46 0.67 1.61 0.08 -1.25 -4.42 117.98 117.13 1bsa s PHE 82 Ca 0.00 1.55 -0.16 0.00 0.12 0.00 0.00 56.93 58.44 1bsa s PHE 82 Cb 0.00 -3.33 0.01 0.00 -0.57 0.00 0.00 43.02 39.13 1bsa s PHE 82 CO 0.00 -1.97 1.17 1.03 -0.10 0.00 0.00 175.22 175.35 1bsa s ARG 83 N -3.71 2.59 0.00 0.44 0.52 -1.26 -4.99 118.95 112.54 1bsa s ARG 83 Ca 0.72 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 57.56 1bsa s ARG 83 Cb -0.25 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.32 1bsa s ARG 83 CO 0.37 -1.46 0.00 0.27 0.02 0.00 0.00 175.30 174.51 1bsa n ASN 84 N -2.32 0.01 -1.07 0.23 0.23 -1.26 -5.03 115.26 106.05 1bsa n ASN 84 Ca 0.12 -0.95 0.11 0.00 -0.53 0.00 0.00 54.58 53.33 1bsa n ASN 84 Cb 0.51 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.41 1bsa n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bsa n SER 85 N -2.84 3.34 -4.70 0.53 3.41 -1.26 -4.96 113.62 107.14 1bsa n SER 85 Ca 0.00 -1.95 -0.38 0.00 -0.26 0.00 0.00 58.87 56.27 1bsa n SER 85 Cb 0.00 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.64 1bsa n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bsa s ASP 86 N -1.36 6.67 0.02 4.04 1.01 -1.26 -1.88 116.67 123.91 1bsa s ASP 86 Ca 0.36 0.80 -0.01 0.00 0.71 0.00 0.00 52.55 54.41 1bsa s ASP 86 Cb 0.21 -2.30 -0.02 0.00 1.01 0.00 0.00 42.92 41.82 1bsa s ASP 86 CO 0.29 -0.07 -0.01 -0.13 0.21 0.00 0.00 175.17 175.45 1bsa s ARG 87 N 0.98 0.33 -0.09 8.23 1.81 0.15 -1.91 118.95 128.44 1bsa s ARG 87 Ca 0.26 -0.59 -0.00 0.00 -1.72 0.00 0.00 55.73 53.68 1bsa s ARG 87 Cb -0.15 0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.44 1bsa s ARG 87 CO 0.11 -0.06 -0.07 -1.50 -0.68 0.00 0.00 175.30 173.10 1bsa s ILE 88 N -1.47 3.71 -0.16 1.52 2.07 0.39 -1.80 121.20 125.46 1bsa s ILE 88 Ca -0.16 -0.46 0.02 0.00 -1.41 0.00 0.00 60.65 58.64 1bsa s ILE 88 Cb -0.10 -2.54 0.01 0.00 0.13 0.00 0.00 42.46 39.96 1bsa s ILE 88 CO -0.01 0.57 -0.21 -0.76 -1.91 0.00 0.00 174.94 172.63 1bsa s LEU 89 N -0.49 2.14 0.00 8.50 2.01 -0.52 -0.94 118.68 129.39 1bsa s LEU 89 Ca 0.07 -0.62 0.04 0.00 0.01 0.00 0.00 54.13 53.64 1bsa s LEU 89 Cb -0.12 -1.47 -0.01 0.00 0.01 0.00 0.00 46.19 44.60 1bsa s LEU 89 CO 0.02 0.04 -0.13 -0.72 1.01 0.00 0.00 176.35 176.57 1bsa s TYR 90 N 1.03 1.18 0.51 0.29 1.13 0.04 -0.75 117.35 120.78 1bsa s TYR 90 Ca -0.02 -0.26 0.05 0.00 -1.41 0.00 0.00 57.07 55.44 1bsa s TYR 90 Cb -0.14 -0.74 0.03 0.00 -1.10 0.00 0.00 41.96 40.01 1bsa s TYR 90 CO -0.07 -0.01 0.70 -1.54 -2.51 0.00 0.00 175.55 172.13 1bsa s SER 91 N -0.53 5.37 0.55 -0.18 1.04 -0.56 -1.00 113.70 118.38 1bsa s SER 91 Ca 0.04 -0.29 0.34 0.00 0.48 0.00 0.00 55.95 56.52 1bsa s SER 91 Cb -0.06 -0.62 1.47 0.00 0.10 0.00 0.00 66.02 66.92 1bsa s SER 91 CO -0.00 -1.04 2.01 0.77 0.98 0.00 0.00 173.24 175.97 1bsa h SER 92 N 0.29 0.00 -0.61 7.02 4.64 -1.76 -2.29 113.55 120.84 1bsa h SER 92 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1bsa h SER 92 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1bsa h SER 92 CO 0.47 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.53 1bsa n ASP 93 N -3.03 4.54 -2.03 4.97 5.75 -1.26 -4.97 116.55 120.52 1bsa n ASP 93 Ca 0.00 -2.42 -0.13 0.00 -0.01 0.00 0.00 54.79 52.24 1bsa n ASP 93 Cb 0.27 -0.55 0.03 0.00 -1.03 0.00 0.00 41.12 39.85 1bsa n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bsa n TRP 94 N 1.03 -1.39 -3.07 2.11 7.02 -0.86 -5.04 117.44 117.23 1bsa n TRP 94 Ca 0.25 0.45 -0.37 0.00 -1.02 0.00 0.00 57.50 56.81 1bsa n TRP 94 Cb 0.84 -3.12 -0.06 0.00 -2.42 0.00 0.00 31.31 26.55 1bsa n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bsa s LEU 95 N -4.26 4.42 -0.07 -0.99 1.43 -1.26 -4.82 118.68 113.12 1bsa s LEU 95 Ca 0.26 1.47 0.03 0.00 -1.03 0.00 0.00 54.13 54.86 1bsa s LEU 95 Cb -0.11 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.63 1bsa s LEU 95 CO 0.32 0.09 -0.16 -0.63 0.23 0.00 0.00 176.35 176.20 1bsa s ILE 96 N -1.41 1.42 0.23 -0.59 -1.09 -0.87 -1.50 121.20 117.38 1bsa s ILE 96 Ca 0.40 -0.65 0.06 0.00 -2.23 0.00 0.00 60.65 58.24 1bsa s ILE 96 Cb -0.18 -1.27 -0.05 0.00 -1.58 0.00 0.00 42.46 39.38 1bsa s ILE 96 CO 0.22 0.42 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.95 1bsa s TYR 97 N 0.54 1.70 0.12 3.97 1.51 0.07 -1.56 117.35 123.71 1bsa s TYR 97 Ca -0.16 -0.70 0.06 0.00 -1.01 0.00 0.00 57.07 55.26 1bsa s TYR 97 Cb -0.16 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1bsa s TYR 97 CO 0.05 0.23 -0.14 -1.59 -1.11 0.00 0.00 175.55 172.99 1bsa s LYS 98 N -3.72 1.01 -0.01 -0.62 -2.85 0.30 -1.43 119.74 112.42 1bsa s LYS 98 Ca 0.25 -1.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 1bsa s LYS 98 Cb 0.02 -0.91 0.01 0.00 -2.06 0.00 0.00 37.83 34.90 1bsa s LYS 98 CO 0.08 0.18 -0.00 -0.08 0.10 0.00 0.00 175.35 175.62 1bsa s THR 99 N -2.08 0.11 0.00 3.79 -1.32 -0.75 -1.40 115.64 113.99 1bsa s THR 99 Ca 0.08 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 1bsa s THR 99 Cb -0.05 -0.15 0.00 0.00 -1.51 0.00 0.00 72.50 70.79 1bsa s THR 99 CO 0.03 0.07 0.68 0.35 -2.21 0.00 0.00 174.62 173.54 1bsa n THR 100 N 3.49 0.46 -2.19 5.08 -2.24 -1.26 -0.67 114.28 116.95 1bsa n THR 100 Ca -0.18 -0.56 -0.10 0.00 -2.27 0.00 0.00 64.05 60.94 1bsa n THR 100 Cb 0.56 0.87 0.06 0.00 -2.10 0.00 0.00 70.33 69.72 1bsa n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bsa n ASP 101 N -0.23 3.11 -3.31 3.42 5.75 -1.23 -4.57 116.55 119.49 1bsa n ASP 101 Ca 0.00 -3.19 -0.13 0.00 -0.01 0.00 0.00 54.79 51.46 1bsa n ASP 101 Cb 0.26 -0.41 0.03 0.00 -1.03 0.00 0.00 41.12 39.97 1bsa n ASP 101 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1bsa n HIS 102 N -0.64 -2.52 -1.71 2.11 8.25 -0.79 -3.42 115.22 116.50 1bsa n HIS 102 Ca 0.26 0.88 -0.07 0.00 -0.26 0.00 0.00 57.72 58.54 1bsa n HIS 102 Cb 0.89 -3.86 -0.02 0.00 1.12 0.00 0.00 29.99 28.12 1bsa n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1bsa n TYR 103 N -2.80 -1.05 0.01 4.41 4.02 -1.26 -4.84 117.16 115.64 1bsa n TYR 103 Ca -0.07 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.64 1bsa n TYR 103 Cb 0.57 -1.93 -0.11 0.00 -0.02 0.00 0.00 39.34 37.85 1bsa n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1bsa h GLN 104 N 0.00 0.41 -5.15 -0.72 4.20 -1.97 -3.46 115.11 108.42 1bsa h GLN 104 Ca -0.16 -0.46 -0.47 0.00 0.06 0.00 0.00 58.65 57.62 1bsa h GLN 104 Cb 0.73 0.13 -0.29 0.00 0.30 0.00 0.00 27.48 28.35 1bsa h GLN 104 CO 0.21 1.12 -0.81 0.99 -0.67 0.00 0.00 178.83 179.68 1bsa s THR 105 N -3.14 1.04 0.08 -0.54 2.01 -1.26 -5.11 115.64 108.71 1bsa s THR 105 Ca -0.13 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.38 1bsa s THR 105 Cb 0.03 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 1bsa s THR 105 CO 0.83 0.30 -0.18 -0.36 -0.69 0.00 0.00 174.62 174.52 1bsa s PHE 106 N -0.26 1.51 -0.00 4.92 0.08 -1.26 -4.33 117.98 118.63 1bsa s PHE 106 Ca 0.04 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.68 1bsa s PHE 106 Cb -0.06 -0.85 0.00 0.00 -0.57 0.00 0.00 43.02 41.55 1bsa s PHE 106 CO -0.00 0.12 -0.01 0.95 -0.10 0.00 0.00 175.22 176.18 1bsa s THR 107 N -1.12 0.06 0.18 0.64 -4.23 -0.49 -4.96 115.64 105.71 1bsa s THR 107 Ca 0.03 -0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.22 1bsa s THR 107 Cb -0.10 -0.06 -0.08 0.00 1.34 0.00 0.00 72.50 73.60 1bsa s THR 107 CO 0.03 0.02 1.24 -0.75 -0.54 0.00 0.00 174.62 174.61 1bsa s LYS 108 N 0.03 4.45 0.00 3.99 2.20 -1.26 -0.54 119.74 128.61 1bsa s LYS 108 Ca -0.00 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 1bsa s LYS 108 Cb -0.01 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1bsa s LYS 108 CO -0.00 -0.16 0.00 0.44 -0.36 0.00 0.00 175.35 175.27 1bsa n ILE 109 N 2.67 0.00 -1.55 5.43 -5.35 -0.60 -4.90 119.36 115.06 1bsa n ILE 109 Ca 0.05 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1bsa n ILE 109 Cb 0.44 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 1bsa n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33