#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsb s ILE 4 N 0.00 1.89 0.00 1.55 1.09 -1.26 -4.99 121.20 119.48 1bsb s ILE 4 Ca 0.00 -0.96 0.06 0.00 -1.10 0.00 0.00 60.65 58.65 1bsb s ILE 4 Cb 0.00 -1.62 0.09 0.00 -1.06 0.00 0.00 42.46 39.87 1bsb s ILE 4 CO 0.00 0.53 0.91 -0.46 -0.10 0.00 0.00 174.94 175.81 1bsb n ASN 5 N 3.22 0.06 -4.99 3.58 6.94 -1.26 -4.80 115.26 118.01 1bsb n ASN 5 Ca -0.18 -1.74 -0.19 0.00 -0.02 0.00 0.00 54.58 52.45 1bsb n ASN 5 Cb 0.52 -0.09 0.01 0.00 -2.36 0.00 0.00 39.78 37.86 1bsb n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bsb s THR 6 N 0.00 3.37 0.07 5.53 -4.23 -1.26 0.47 115.64 119.60 1bsb s THR 6 Ca 0.07 -0.91 -0.30 0.00 -1.18 0.00 0.00 61.69 59.38 1bsb s THR 6 Cb 0.08 -3.17 -0.18 0.00 1.34 0.00 0.00 72.50 70.58 1bsb s THR 6 CO -0.04 -0.08 1.65 -0.26 -0.54 0.00 0.00 174.62 175.35 1bsb h PHE 7 N 0.61 -0.58 -0.45 3.99 0.04 -1.99 -1.96 116.94 116.60 1bsb h PHE 7 Ca -0.43 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.31 1bsb h PHE 7 Cb 1.27 0.19 -0.02 0.00 2.20 0.00 0.00 35.95 39.59 1bsb h PHE 7 CO 0.41 -0.35 0.19 -0.44 -0.60 0.00 0.00 178.31 177.52 1bsb h ASP 8 N -0.63 0.61 0.04 2.17 3.32 -1.98 -1.85 116.42 118.10 1bsb h ASP 8 Ca -0.06 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 56.84 1bsb h ASP 8 Cb 0.48 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1bsb h ASP 8 CO 0.10 0.60 -0.12 1.23 -1.72 0.00 0.00 179.24 179.33 1bsb h GLY 9 N 0.59 -0.18 0.67 2.75 0.00 -1.95 -0.52 103.07 104.43 1bsb h GLY 9 Ca 0.15 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.58 1bsb h GLY 9 CO -0.01 -0.13 -0.12 -2.08 0.00 0.00 0.00 176.54 174.20 1bsb h VAL 10 N -0.23 1.37 -0.43 4.60 2.07 -1.38 -2.26 116.25 119.99 1bsb h VAL 10 Ca 0.03 -1.31 0.09 0.00 0.82 0.00 0.00 66.70 66.33 1bsb h VAL 10 Cb 0.26 2.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.95 1bsb h VAL 10 CO -0.10 0.37 -0.12 0.00 0.02 0.00 0.00 177.57 177.75 1bsb h ALA 11 N 0.57 0.26 -0.89 1.67 0.00 -1.31 0.13 119.26 119.68 1bsb h ALA 11 Ca 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1bsb h ALA 11 Cb 0.65 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1bsb h ALA 11 CO 0.03 -0.47 0.47 -0.44 0.00 0.00 0.00 179.25 178.84 1bsb h ASP 12 N -0.02 1.13 -0.02 0.00 3.32 -1.11 -2.66 116.42 117.05 1bsb h ASP 12 Ca 0.21 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1bsb h ASP 12 Cb 0.33 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1bsb h ASP 12 CO -0.45 0.92 0.00 0.22 -1.72 0.00 0.00 179.24 178.22 1bsb h TYR 13 N 1.26 0.04 -0.78 4.55 5.03 -0.77 -2.05 116.97 124.25 1bsb h TYR 13 Ca 0.31 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.65 1bsb h TYR 13 Cb 0.06 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.28 1bsb h TYR 13 CO 0.01 0.28 0.50 -0.07 -1.32 0.00 0.00 178.16 177.56 1bsb h LEU 14 N -0.20 0.83 -0.88 2.82 3.38 -0.62 0.85 115.31 121.47 1bsb h LEU 14 Ca 0.01 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1bsb h LEU 14 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1bsb h LEU 14 CO 0.00 0.57 -0.45 1.56 0.09 0.00 0.00 178.44 180.21 1bsb h GLN 15 N 0.98 0.24 0.10 1.13 4.20 -1.47 0.52 115.11 120.80 1bsb h GLN 15 Ca 0.31 -0.12 -0.33 0.00 0.06 0.00 0.00 58.65 58.57 1bsb h GLN 15 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1bsb h GLN 15 CO -0.11 0.65 -1.80 2.41 -0.67 0.00 0.00 178.83 179.31 1bsb n THR 16 N -3.99 1.73 0.65 -0.54 -1.04 -0.77 -4.57 114.28 105.74 1bsb n THR 16 Ca -0.02 -0.49 0.08 0.00 -2.04 0.00 0.00 64.05 61.58 1bsb n THR 16 Cb 0.51 -1.82 0.03 0.00 -1.82 0.00 0.00 70.33 67.22 1bsb n THR 16 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bsb n TYR 17 N -3.74 0.00 -3.33 -1.42 4.01 0.29 -4.99 117.16 107.98 1bsb n TYR 17 Ca -0.32 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.18 1bsb n TYR 17 Cb 0.95 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 40.02 1bsb n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bsb n HIS 18 N 0.33 -2.24 -3.55 -0.72 8.25 0.18 -4.95 115.22 112.52 1bsb n HIS 18 Ca 0.08 0.70 -0.06 0.00 -0.26 0.00 0.00 57.72 58.17 1bsb n HIS 18 Cb 0.35 -4.39 -0.02 0.00 1.12 0.00 0.00 29.99 27.04 1bsb n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bsb s LYS 19 N -6.02 0.58 0.66 -0.41 -2.85 -1.25 -5.07 119.74 105.39 1bsb s LYS 19 Ca 0.44 -0.22 -0.12 0.00 -1.00 0.00 0.00 55.97 55.08 1bsb s LYS 19 Cb -0.20 0.26 -0.01 0.00 -2.06 0.00 0.00 37.83 35.82 1bsb s LYS 19 CO 0.54 -0.25 1.05 -0.51 0.10 0.00 0.00 175.35 176.28 1bsb s LEU 20 N -2.35 3.21 0.98 2.77 1.43 -1.26 -4.03 118.68 119.43 1bsb s LEU 20 Ca 0.07 1.61 -0.12 0.00 -1.03 0.00 0.00 54.13 54.66 1bsb s LEU 20 Cb -0.01 -4.50 0.18 0.00 0.03 0.00 0.00 46.19 41.90 1bsb s LEU 20 CO -0.07 -1.28 1.08 -2.84 0.23 0.00 0.00 176.35 173.47 1bsb s PRO 21 N -4.91 0.52 0.50 1.29 0.02 -1.26 -4.90 135.00 126.25 1bsb s PRO 21 Ca 0.58 0.99 0.34 0.00 0.02 0.00 0.00 61.00 62.92 1bsb s PRO 21 Cb -0.14 -1.71 1.66 0.00 0.02 0.00 0.00 34.50 34.33 1bsb s PRO 21 CO 0.52 -2.80 2.02 -0.44 -0.33 0.00 0.00 177.00 175.97 1bsb h ASP 22 N -1.96 0.00 0.00 2.53 3.32 -1.96 -2.95 116.42 115.41 1bsb h ASP 22 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1bsb h ASP 22 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1bsb h ASP 22 CO 0.50 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.56 1bsb n ASN 23 N -2.77 0.00 -4.86 6.45 6.94 -1.26 -4.85 115.26 114.90 1bsb n ASN 23 Ca -0.01 -1.65 -0.29 0.00 -0.02 0.00 0.00 54.58 52.61 1bsb n ASN 23 Cb 0.15 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.52 1bsb n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bsb s TYR 24 N -2.00 3.36 -0.01 -2.53 2.02 -1.12 -1.04 117.35 116.04 1bsb s TYR 24 Ca 0.12 0.13 -0.11 0.00 -0.37 0.00 0.00 57.07 56.84 1bsb s TYR 24 Cb 0.05 -1.66 0.01 0.00 -0.40 0.00 0.00 41.96 39.96 1bsb s TYR 24 CO 0.09 0.55 0.22 0.96 -1.57 0.00 0.00 175.55 175.79 1bsb s ILE 25 N -1.55 0.07 0.84 2.71 -4.36 -0.53 -4.86 121.20 113.51 1bsb s ILE 25 Ca 0.33 -0.57 -0.12 0.00 -0.26 0.00 0.00 60.65 60.02 1bsb s ILE 25 Cb -0.12 -0.51 0.10 0.00 1.25 0.00 0.00 42.46 43.18 1bsb s ILE 25 CO 0.26 -0.32 1.13 0.42 0.24 0.00 0.00 174.94 176.67 1bsb s THR 26 N -1.32 2.38 0.17 8.37 -4.23 -1.12 0.75 115.64 120.64 1bsb s THR 26 Ca -0.14 0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.38 1bsb s THR 26 Cb -0.06 -2.95 0.06 0.00 1.34 0.00 0.00 72.50 70.88 1bsb s THR 26 CO 0.03 -0.16 1.68 0.11 -0.54 0.00 0.00 174.62 175.74 1bsb h LYS 27 N -1.22 0.90 -0.02 3.99 1.57 -1.96 -1.73 116.57 118.10 1bsb h LYS 27 Ca -0.48 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.02 1bsb h LYS 27 Cb 1.31 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1bsb h LYS 27 CO 0.62 0.83 -0.33 0.66 -0.57 0.00 0.00 179.45 180.67 1bsb h SER 28 N 0.81 0.04 0.03 0.86 4.64 -1.99 -0.04 113.55 117.89 1bsb h SER 28 Ca 0.18 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1bsb h SER 28 Cb 0.32 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1bsb h SER 28 CO -0.00 0.37 -0.01 -0.08 -0.87 0.00 0.00 176.83 176.23 1bsb h GLU 29 N 0.03 -0.03 -0.70 4.77 4.81 -1.85 -1.31 114.58 120.30 1bsb h GLU 29 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1bsb h GLU 29 Cb 0.60 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1bsb h GLU 29 CO 0.04 0.29 0.18 0.00 -0.73 0.00 0.00 179.01 178.79 1bsb h ALA 30 N 0.60 1.00 -0.73 2.92 0.00 -1.06 0.62 119.26 122.61 1bsb h ALA 30 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1bsb h ALA 30 Cb 0.34 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1bsb h ALA 30 CO 0.01 0.65 0.34 1.96 0.00 0.00 0.00 179.25 182.21 1bsb h GLN 31 N 1.05 1.06 -0.63 0.00 4.20 -0.99 0.18 115.11 119.99 1bsb h GLN 31 Ca 0.22 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1bsb h GLN 31 Cb 0.35 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1bsb h GLN 31 CO -0.00 0.84 0.41 0.00 -0.67 0.00 0.00 178.83 179.41 1bsb h ALA 32 N 1.17 0.81 0.00 3.87 0.00 -0.65 -2.03 119.26 122.43 1bsb h ALA 32 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1bsb h ALA 32 Cb 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1bsb h ALA 32 CO -0.03 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.70 1bsb n LEU 33 N -4.67 0.00 -0.01 0.00 4.77 0.16 -4.86 117.00 112.39 1bsb n LEU 33 Ca 0.05 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1bsb n LEU 33 Cb 0.04 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1bsb n LEU 33 CO 0.34 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1bsb n GLY 34 N 0.07 1.61 3.70 -0.72 0.00 -0.76 -4.91 105.19 104.17 1bsb n GLY 34 Ca 0.10 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1bsb n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bsb s TRP 35 N -2.01 3.57 -0.31 1.61 -0.00 0.57 -4.88 118.94 117.50 1bsb s TRP 35 Ca 0.00 1.59 0.01 0.00 -0.00 0.00 0.00 56.10 57.70 1bsb s TRP 35 Cb 0.00 -3.12 0.09 0.00 -0.00 0.00 0.00 33.47 30.44 1bsb s TRP 35 CO 0.00 -0.11 0.06 0.08 -0.00 0.00 0.00 176.95 176.98 1bsb s VAL 36 N 1.50 1.40 0.13 5.86 1.01 -1.26 -4.33 120.40 124.71 1bsb s VAL 36 Ca 0.48 -1.67 -0.33 0.00 0.00 0.00 0.00 61.98 60.47 1bsb s VAL 36 Cb -0.19 -2.00 -0.11 0.00 0.00 0.00 0.00 36.38 34.08 1bsb s VAL 36 CO 0.22 -0.57 1.55 0.00 0.00 0.00 0.00 175.10 176.30 1bsb h ALA 37 N 7.92 -0.78 0.00 5.51 0.00 -1.98 0.41 119.26 130.34 1bsb h ALA 37 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1bsb h ALA 37 Cb 1.03 1.12 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1bsb h ALA 37 CO 0.48 -1.05 0.00 0.77 0.00 0.00 0.00 179.25 179.44 1bsb h SER 38 N -0.40 0.00 0.19 0.00 0.02 -2.03 -1.10 113.55 110.22 1bsb h SER 38 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1bsb h SER 38 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1bsb h SER 38 CO -0.59 0.00 -0.72 0.29 -1.14 0.00 0.00 176.83 174.66 1bsb n LYS 39 N -2.57 0.17 -3.44 3.45 4.01 0.08 -5.00 118.16 114.86 1bsb n LYS 39 Ca -0.01 -0.13 -0.25 0.00 -0.51 0.00 0.00 58.31 57.41 1bsb n LYS 39 Cb 0.09 -1.50 0.04 0.00 -0.51 0.00 0.00 35.03 33.14 1bsb n LYS 39 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1bsb n GLY 40 N 1.48 -0.52 1.56 0.72 0.00 -0.42 -4.93 105.19 103.09 1bsb n GLY 40 Ca 0.06 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.33 1bsb n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bsb n ASN 41 N -2.67 4.93 -0.19 1.61 6.94 -1.24 -3.90 115.26 120.73 1bsb n ASN 41 Ca -0.03 -2.69 -0.02 0.00 -0.02 0.00 0.00 54.58 51.82 1bsb n ASN 41 Cb 0.57 -0.60 0.05 0.00 -2.36 0.00 0.00 39.78 37.44 1bsb n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bsb h LEU 42 N 3.63 -0.65 0.00 -4.53 5.85 -1.88 0.49 115.31 118.23 1bsb h LEU 42 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1bsb h LEU 42 Cb 1.62 0.40 0.00 0.00 0.37 0.00 0.00 40.66 43.05 1bsb h LEU 42 CO 0.32 -0.22 0.00 0.00 -0.34 0.00 0.00 178.44 178.20 1bsb n ALA 43 N -3.03 1.90 -0.03 1.25 0.00 -1.26 0.53 120.51 119.88 1bsb n ALA 43 Ca 0.06 -0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 1bsb n ALA 43 Cb 0.32 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 1bsb n ALA 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1bsb h ASP 44 N 0.00 0.25 0.69 0.00 3.32 -0.40 -3.20 116.42 117.08 1bsb h ASP 44 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 57.03 56.26 1bsb h ASP 44 Cb 0.18 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1bsb h ASP 44 CO 0.00 1.55 -1.16 1.33 -1.72 0.00 0.00 179.24 179.24 1bsb n VAL 45 N -4.08 0.40 -3.06 -1.35 0.24 -0.82 -4.60 118.33 105.07 1bsb n VAL 45 Ca -0.26 -0.46 -0.16 0.00 -2.04 0.00 0.00 64.34 61.42 1bsb n VAL 45 Cb 0.82 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 1bsb n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bsb n ALA 46 N -2.10 1.20 -1.57 2.33 0.00 0.19 -4.99 120.51 115.57 1bsb n ALA 46 Ca -0.00 -2.83 -0.53 0.00 0.00 0.00 0.00 53.44 50.08 1bsb n ALA 46 Cb 0.52 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 1bsb n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bsb n PRO 47 N 0.45 0.93 -0.58 0.00 -0.04 -1.21 -1.62 135.00 132.94 1bsb n PRO 47 Ca 0.19 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1bsb n PRO 47 Cb 0.66 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 1bsb n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsb n GLY 48 N 2.26 1.73 3.89 0.55 0.00 -1.26 -5.04 105.19 107.32 1bsb n GLY 48 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1bsb n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bsb s LYS 49 N -0.04 3.71 0.12 1.61 3.01 -0.64 -4.87 119.74 122.63 1bsb s LYS 49 Ca 0.00 0.09 0.06 0.00 -1.01 0.00 0.00 55.97 55.11 1bsb s LYS 49 Cb 0.00 -2.76 -0.04 0.00 -1.01 0.00 0.00 37.83 34.02 1bsb s LYS 49 CO 0.00 0.40 -0.15 -1.12 0.51 0.00 0.00 175.35 174.99 1bsb s SER 50 N -2.38 2.05 -0.05 2.83 0.01 -0.20 -4.85 113.70 111.10 1bsb s SER 50 Ca 0.44 -0.78 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 1bsb s SER 50 Cb -0.12 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 1bsb s SER 50 CO 0.23 -0.11 1.05 -0.63 0.41 0.00 0.00 173.24 174.19 1bsb s ILE 51 N -1.94 4.65 -0.09 1.44 -1.09 -1.26 -1.46 121.20 121.46 1bsb s ILE 51 Ca 0.08 1.92 -0.31 0.00 -2.23 0.00 0.00 60.65 60.11 1bsb s ILE 51 Cb -0.06 -4.23 0.12 0.00 -1.58 0.00 0.00 42.46 36.71 1bsb s ILE 51 CO 0.03 0.06 1.01 -0.83 -1.23 0.00 0.00 174.94 173.98 1bsb s GLY 52 N 1.13 -0.37 0.00 6.18 0.00 0.23 -1.88 107.32 112.61 1bsb s GLY 52 Ca 0.52 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.64 1bsb s GLY 52 CO 0.23 0.54 0.00 0.61 0.00 0.00 0.00 173.10 174.47 1bsb n GLY 53 N -0.01 0.65 3.84 0.20 0.00 0.29 -2.81 105.19 107.35 1bsb n GLY 53 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1bsb n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bsb s ASP 54 N -2.75 6.83 0.32 1.61 1.01 -1.22 -4.76 116.67 117.71 1bsb s ASP 54 Ca 0.00 1.44 -0.29 0.00 0.71 0.00 0.00 52.55 54.41 1bsb s ASP 54 Cb 0.00 -2.44 -0.10 0.00 1.01 0.00 0.00 42.92 41.39 1bsb s ASP 54 CO 0.00 -0.28 1.31 -0.63 0.21 0.00 0.00 175.17 175.78 1bsb s ILE 55 N -2.08 2.75 -0.27 0.77 -1.09 -1.26 -1.05 121.20 118.97 1bsb s ILE 55 Ca 0.57 0.74 -0.03 0.00 -2.23 0.00 0.00 60.65 59.71 1bsb s ILE 55 Cb -0.10 -3.47 0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1bsb s ILE 55 CO 0.16 0.17 -0.01 0.12 -1.23 0.00 0.00 174.94 174.15 1bsb s PHE 56 N -1.03 3.12 0.28 3.97 5.36 -0.23 -4.85 117.98 124.60 1bsb s PHE 56 Ca 0.50 -1.47 -0.04 0.00 -0.96 0.00 0.00 56.93 54.96 1bsb s PHE 56 Cb -0.40 -2.12 0.36 0.00 -0.34 0.00 0.00 43.02 40.53 1bsb s PHE 56 CO 0.51 -0.71 1.95 0.66 -1.46 0.00 0.00 175.22 176.18 1bsb h SER 57 N 8.07 1.05 -3.48 6.13 4.64 -1.95 -3.40 113.55 124.61 1bsb h SER 57 Ca -0.30 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 60.81 1bsb h SER 57 Cb 1.10 -0.26 0.07 0.00 -0.31 0.00 0.00 62.40 63.01 1bsb h SER 57 CO 0.57 0.76 -0.34 -3.20 -0.87 0.00 0.00 176.83 173.75 1bsb n ASN 58 N -4.40 -3.30 0.06 4.97 5.15 -1.26 -4.97 115.26 111.51 1bsb n ASN 58 Ca 0.11 -0.27 0.12 0.00 -0.60 0.00 0.00 54.58 53.94 1bsb n ASN 58 Cb 0.02 -2.69 0.26 0.00 -0.53 0.00 0.00 39.78 36.84 1bsb n ASN 58 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1bsb n ARG 59 N -2.60 0.24 0.13 1.20 3.00 -1.26 -3.08 116.66 114.29 1bsb n ARG 59 Ca -0.05 0.10 0.13 0.00 -0.01 0.00 0.00 57.85 58.02 1bsb n ARG 59 Cb 0.55 -1.68 0.35 0.00 0.00 0.00 0.00 32.46 31.68 1bsb n ARG 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1bsb h GLU 60 N 0.00 0.00 -4.30 5.56 5.08 -2.00 -3.47 114.58 115.45 1bsb h GLU 60 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 1bsb h GLU 60 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1bsb h GLU 60 CO 0.00 0.00 -0.51 0.41 -1.00 0.00 0.00 179.01 177.91 1bsb n GLY 61 N 1.27 -0.50 0.27 -3.84 0.00 -1.18 -4.95 105.19 96.26 1bsb n GLY 61 Ca 0.05 0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.31 1bsb n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bsb h LYS 62 N -0.68 0.00 -6.24 1.61 1.57 -1.91 -3.44 116.57 107.47 1bsb h LYS 62 Ca -0.44 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.70 1bsb h LYS 62 Cb 1.31 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.52 1bsb h LYS 62 CO 0.50 0.00 -0.62 -0.51 -0.57 0.00 0.00 179.45 178.25 1bsb s LEU 63 N -6.03 3.68 0.04 2.94 1.43 -1.26 -4.91 118.68 114.57 1bsb s LEU 63 Ca 0.01 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.74 1bsb s LEU 63 Cb 0.09 -2.38 -0.08 0.00 0.03 0.00 0.00 46.19 43.85 1bsb s LEU 63 CO 0.52 0.17 1.72 -2.16 0.23 0.00 0.00 176.35 176.83 1bsb s PRO 64 N -2.36 4.18 0.49 1.29 0.04 -1.26 -5.01 135.00 132.37 1bsb s PRO 64 Ca 0.28 2.36 0.08 0.00 0.04 0.00 0.00 61.00 63.76 1bsb s PRO 64 Cb -0.12 -3.79 0.04 0.00 0.04 0.00 0.00 34.50 30.67 1bsb s PRO 64 CO 0.21 -0.81 0.67 0.20 0.04 0.00 0.00 177.00 177.31 1bsb s GLY 65 N 3.01 1.86 0.00 0.56 0.00 -1.26 -5.09 107.32 106.40 1bsb s GLY 65 Ca 0.77 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1bsb s GLY 65 CO 0.33 -1.53 0.00 1.17 0.00 0.00 0.00 173.10 173.08 1bsb n LYS 66 N -2.04 0.00 -1.67 2.90 4.81 -1.26 -5.06 118.16 115.83 1bsb n LYS 66 Ca 0.11 0.00 -0.56 0.00 -0.87 0.00 0.00 58.31 56.99 1bsb n LYS 66 Cb 0.60 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.58 1bsb n LYS 66 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1bsb n SER 67 N 0.00 2.43 -0.07 3.14 7.64 -1.26 -0.21 113.62 125.29 1bsb n SER 67 Ca 0.00 0.99 -0.01 0.00 1.01 0.00 0.00 58.87 60.86 1bsb n SER 67 Cb 0.00 -1.17 -0.00 0.00 -1.01 0.00 0.00 64.21 62.03 1bsb n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bsb n GLY 68 N 4.56 0.39 3.70 0.23 0.00 -1.26 -5.01 105.19 107.80 1bsb n GLY 68 Ca 0.28 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1bsb n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bsb s ARG 69 N -0.99 4.42 -0.05 1.61 3.52 0.71 -4.97 118.95 123.19 1bsb s ARG 69 Ca 0.00 0.98 0.03 0.00 -0.13 0.00 0.00 55.73 56.61 1bsb s ARG 69 Cb 0.00 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 1bsb s ARG 69 CO 0.00 -0.05 -0.14 0.99 -0.81 0.00 0.00 175.30 175.29 1bsb s THR 70 N 1.16 3.08 -0.07 4.11 2.01 -1.26 -4.76 115.64 119.90 1bsb s THR 70 Ca 0.40 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.68 1bsb s THR 70 Cb -0.18 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 1bsb s THR 70 CO 0.18 0.59 -0.05 0.26 -0.69 0.00 0.00 174.62 174.91 1bsb s TRP 71 N -0.70 3.00 0.11 4.92 0.52 -1.26 -0.72 118.94 124.81 1bsb s TRP 71 Ca 0.11 0.07 0.04 0.00 0.02 0.00 0.00 56.10 56.33 1bsb s TRP 71 Cb -0.11 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1bsb s TRP 71 CO 0.01 0.36 -0.09 1.03 0.02 0.00 0.00 176.95 178.28 1bsb s ARG 72 N -0.81 0.89 0.22 4.98 0.52 -0.28 -1.07 118.95 123.40 1bsb s ARG 72 Ca 0.12 -1.25 0.05 0.00 -0.52 0.00 0.00 55.73 54.13 1bsb s ARG 72 Cb -0.11 -0.50 -0.05 0.00 0.52 0.00 0.00 34.95 34.81 1bsb s ARG 72 CO 0.02 0.06 -0.06 -1.83 0.02 0.00 0.00 175.30 173.51 1bsb s GLU 73 N -3.17 1.32 -0.15 3.54 -1.05 -0.22 -0.17 118.70 118.80 1bsb s GLU 73 Ca 0.09 -1.64 -0.14 0.00 -0.15 0.00 0.00 54.97 53.13 1bsb s GLU 73 Cb -0.00 -0.80 0.04 0.00 -0.44 0.00 0.00 34.13 32.93 1bsb s GLU 73 CO -0.01 0.01 0.41 0.00 0.95 0.00 0.00 175.26 176.62 1bsb s ALA 74 N -3.25 -1.01 0.22 -0.84 0.00 -0.49 -0.55 121.76 115.84 1bsb s ALA 74 Ca 0.25 1.16 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 1bsb s ALA 74 Cb 0.04 -0.67 -0.08 0.00 0.00 0.00 0.00 23.12 22.40 1bsb s ALA 74 CO 0.07 -0.19 1.12 -0.51 0.00 0.00 0.00 175.76 176.25 1bsb s ASP 75 N 0.24 7.22 0.07 0.00 1.11 -0.79 0.10 116.67 124.62 1bsb s ASP 75 Ca -0.00 2.19 0.07 0.00 0.18 0.00 0.00 52.55 54.99 1bsb s ASP 75 Cb -0.03 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 1bsb s ASP 75 CO 0.00 -0.23 -0.18 0.68 1.18 0.00 0.00 175.17 176.62 1bsb s VAL 76 N -0.53 1.47 -0.36 -1.27 -7.23 -1.05 -4.75 120.40 106.69 1bsb s VAL 76 Ca 0.48 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1bsb s VAL 76 Cb -0.31 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.29 1bsb s VAL 76 CO 0.38 -0.02 0.00 0.59 -0.31 0.00 0.00 175.10 175.73 1bsb n ASN 77 N 1.44 -4.21 -4.73 4.85 3.02 0.18 -4.55 115.26 111.26 1bsb n ASN 77 Ca -0.19 0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 54.03 1bsb n ASN 77 Cb 0.54 -2.01 -0.04 0.00 -0.61 0.00 0.00 39.78 37.66 1bsb n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bsb s TYR 78 N -1.86 3.71 0.04 3.10 5.04 -1.26 -4.94 117.35 121.18 1bsb s TYR 78 Ca 0.00 1.70 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 1bsb s TYR 78 Cb 0.00 -3.15 0.00 0.00 0.35 0.00 0.00 41.96 39.16 1bsb s TYR 78 CO 0.00 -0.14 0.00 0.25 -1.34 0.00 0.00 175.55 174.32 1bsb n THR 79 N 2.93 0.20 -3.65 4.34 -2.24 -1.26 -4.94 114.28 109.66 1bsb n THR 79 Ca 0.03 0.07 -0.07 0.00 -2.27 0.00 0.00 64.05 61.81 1bsb n THR 79 Cb 0.48 -1.24 -0.02 0.00 -2.10 0.00 0.00 70.33 67.46 1bsb n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bsb s SER 80 N -5.16 -0.32 0.00 3.42 1.04 -1.26 -4.76 113.70 106.66 1bsb s SER 80 Ca 0.00 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1bsb s SER 80 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1bsb s SER 80 CO 0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1bsb n GLY 81 N -0.40 -0.03 3.78 7.32 0.00 -1.26 -4.89 105.19 109.72 1bsb n GLY 81 Ca -0.09 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 1bsb n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bsb s PHE 82 N 0.00 2.96 0.49 1.61 0.08 -1.25 -4.45 117.98 117.42 1bsb s PHE 82 Ca 0.00 1.58 -0.22 0.00 0.12 0.00 0.00 56.93 58.40 1bsb s PHE 82 Cb 0.00 -3.20 -0.08 0.00 -0.57 0.00 0.00 43.02 39.17 1bsb s PHE 82 CO 0.00 -1.10 1.08 0.54 -0.10 0.00 0.00 175.22 175.65 1bsb n ARG 83 N -0.71 1.36 -0.24 0.44 1.74 -1.26 -5.01 116.66 112.99 1bsb n ARG 83 Ca 0.08 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 1bsb n ARG 83 Cb 0.50 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 1bsb n ARG 83 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1bsb n ASN 84 N -0.12 0.00 -0.85 0.55 0.23 -1.26 -5.03 115.26 108.78 1bsb n ASN 84 Ca 0.10 -0.61 0.07 0.00 -0.53 0.00 0.00 54.58 53.62 1bsb n ASN 84 Cb 0.42 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.33 1bsb n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bsb n SER 85 N -1.83 3.31 -4.75 0.53 3.41 -1.26 -4.97 113.62 108.07 1bsb n SER 85 Ca 0.00 -2.11 -0.38 0.00 -0.26 0.00 0.00 58.87 56.12 1bsb n SER 85 Cb 0.00 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 1bsb n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bsb s ASP 86 N -1.07 6.79 -0.03 4.04 1.11 -1.26 -2.70 116.67 123.55 1bsb s ASP 86 Ca 0.31 0.94 -0.04 0.00 0.18 0.00 0.00 52.55 53.94 1bsb s ASP 86 Cb 0.18 -2.31 0.01 0.00 1.07 0.00 0.00 42.92 41.87 1bsb s ASP 86 CO 0.19 0.07 0.11 -0.13 1.18 0.00 0.00 175.17 176.59 1bsb s ARG 87 N 0.16 0.22 -0.16 8.23 1.81 -0.11 -2.51 118.95 126.60 1bsb s ARG 87 Ca 0.27 -0.02 -0.06 0.00 -1.72 0.00 0.00 55.73 54.20 1bsb s ARG 87 Cb -0.16 0.10 -0.04 0.00 -0.45 0.00 0.00 34.95 34.40 1bsb s ARG 87 CO 0.13 -0.04 0.06 -1.50 -0.68 0.00 0.00 175.30 173.27 1bsb s ILE 88 N -0.36 4.83 -0.19 1.52 2.07 0.12 -1.47 121.20 127.72 1bsb s ILE 88 Ca -0.04 -0.03 -0.04 0.00 -1.41 0.00 0.00 60.65 59.13 1bsb s ILE 88 Cb -0.03 -3.14 -0.02 0.00 0.13 0.00 0.00 42.46 39.40 1bsb s ILE 88 CO 0.00 0.51 -0.04 -0.76 -1.91 0.00 0.00 174.94 172.75 1bsb s LEU 89 N -0.07 3.10 -0.01 8.50 2.01 0.71 -1.40 118.68 131.53 1bsb s LEU 89 Ca 0.07 -0.25 0.02 0.00 0.01 0.00 0.00 54.13 53.98 1bsb s LEU 89 Cb -0.12 -1.77 -0.00 0.00 0.01 0.00 0.00 46.19 44.31 1bsb s LEU 89 CO 0.01 0.08 -0.07 -0.72 1.01 0.00 0.00 176.35 176.66 1bsb s TYR 90 N 0.89 0.63 0.55 0.29 1.13 0.76 -0.90 117.35 120.70 1bsb s TYR 90 Ca -0.00 -0.12 -0.02 0.00 -1.41 0.00 0.00 57.07 55.51 1bsb s TYR 90 Cb -0.15 -0.41 0.02 0.00 -1.10 0.00 0.00 41.96 40.32 1bsb s TYR 90 CO 0.01 -0.02 0.81 -1.54 -2.51 0.00 0.00 175.55 172.31 1bsb s SER 91 N -0.13 5.49 0.54 -0.18 1.04 -0.66 -1.12 113.70 118.69 1bsb s SER 91 Ca 0.02 0.38 0.26 0.00 0.48 0.00 0.00 55.95 57.10 1bsb s SER 91 Cb -0.03 -1.38 1.56 0.00 0.10 0.00 0.00 66.02 66.27 1bsb s SER 91 CO -0.00 -1.04 2.15 0.77 0.98 0.00 0.00 173.24 176.10 1bsb h SER 92 N 0.00 0.00 -0.48 7.02 4.64 -1.27 -0.75 113.55 122.71 1bsb h SER 92 Ca -0.45 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 1bsb h SER 92 Cb 1.27 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.32 1bsb h SER 92 CO 0.58 0.07 0.07 -0.90 -0.87 0.00 0.00 176.83 175.77 1bsb n ASP 93 N -3.85 4.51 -3.28 4.97 5.75 -1.26 -4.99 116.55 118.41 1bsb n ASP 93 Ca -0.02 -3.13 -0.24 0.00 -0.01 0.00 0.00 54.79 51.39 1bsb n ASP 93 Cb 0.16 -0.65 0.03 0.00 -1.03 0.00 0.00 41.12 39.63 1bsb n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bsb n TRP 94 N -0.18 -2.07 -2.96 2.11 7.02 -0.29 -5.01 117.44 116.07 1bsb n TRP 94 Ca 0.30 0.61 -0.40 0.00 -1.02 0.00 0.00 57.50 56.99 1bsb n TRP 94 Cb 1.13 -4.10 -0.06 0.00 -2.42 0.00 0.00 31.31 25.86 1bsb n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bsb s LEU 95 N -6.77 4.59 -0.13 -0.99 1.43 -1.26 -4.85 118.68 110.70 1bsb s LEU 95 Ca 0.40 1.66 0.02 0.00 -1.03 0.00 0.00 54.13 55.18 1bsb s LEU 95 Cb -0.19 -3.32 0.01 0.00 0.03 0.00 0.00 46.19 42.72 1bsb s LEU 95 CO 0.50 0.18 -0.20 -0.63 0.23 0.00 0.00 176.35 176.43 1bsb s ILE 96 N -1.04 1.87 0.22 -0.59 -1.09 -1.19 -1.65 121.20 117.72 1bsb s ILE 96 Ca 0.37 -0.87 0.07 0.00 -2.23 0.00 0.00 60.65 57.99 1bsb s ILE 96 Cb -0.23 -1.66 -0.05 0.00 -1.58 0.00 0.00 42.46 38.94 1bsb s ILE 96 CO 0.27 0.51 -0.12 -0.31 -1.23 0.00 0.00 174.94 174.05 1bsb s TYR 97 N 0.85 1.76 0.09 3.97 1.51 -0.07 -1.31 117.35 124.14 1bsb s TYR 97 Ca -0.08 -0.60 0.02 0.00 -1.01 0.00 0.00 57.07 55.40 1bsb s TYR 97 Cb -0.15 -0.86 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 1bsb s TYR 97 CO -0.01 0.34 -0.07 -1.59 -1.11 0.00 0.00 175.55 173.10 1bsb s LYS 98 N -3.67 0.80 0.00 -0.62 -2.85 -0.09 -0.21 119.74 113.11 1bsb s LYS 98 Ca 0.24 -1.24 0.01 0.00 -1.00 0.00 0.00 55.97 53.97 1bsb s LYS 98 Cb 0.00 -0.26 -0.00 0.00 -2.06 0.00 0.00 37.83 35.51 1bsb s LYS 98 CO 0.08 0.00 -0.02 -0.08 0.10 0.00 0.00 175.35 175.43 1bsb s THR 99 N -3.20 0.17 -0.01 3.79 -1.32 -0.54 -0.73 115.64 113.79 1bsb s THR 99 Ca 0.08 -0.16 0.02 0.00 -1.21 0.00 0.00 61.69 60.43 1bsb s THR 99 Cb 0.02 -0.16 0.03 0.00 -1.51 0.00 0.00 72.50 70.89 1bsb s THR 99 CO -0.03 0.00 0.86 0.35 -2.21 0.00 0.00 174.62 173.59 1bsb n THR 100 N 2.91 0.73 -2.70 5.08 -2.24 -1.26 -0.93 114.28 115.87 1bsb n THR 100 Ca -0.13 -0.77 -0.05 0.00 -2.27 0.00 0.00 64.05 60.82 1bsb n THR 100 Cb 0.59 0.57 0.04 0.00 -2.10 0.00 0.00 70.33 69.43 1bsb n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bsb n ASP 101 N -0.42 2.07 -3.55 3.42 5.68 -1.22 -4.56 116.55 117.96 1bsb n ASP 101 Ca 0.02 -2.39 -0.27 0.00 -0.50 0.00 0.00 54.79 51.65 1bsb n ASP 101 Cb 0.40 -0.47 0.05 0.00 -1.14 0.00 0.00 41.12 39.96 1bsb n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1bsb n HIS 102 N -0.53 -2.07 -1.45 2.11 8.25 -1.10 -2.78 115.22 117.65 1bsb n HIS 102 Ca 0.13 0.57 -0.16 0.00 -0.26 0.00 0.00 57.72 58.01 1bsb n HIS 102 Cb 0.82 -3.65 -0.07 0.00 1.12 0.00 0.00 29.99 28.21 1bsb n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1bsb n TYR 103 N -3.91 0.00 -0.02 4.41 4.01 -1.26 -4.87 117.16 115.52 1bsb n TYR 103 Ca -0.09 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.50 1bsb n TYR 103 Cb 0.60 -2.97 -0.11 0.00 -0.31 0.00 0.00 39.34 36.55 1bsb n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1bsb h GLN 104 N 0.02 0.21 -5.33 -0.72 4.20 -1.94 -3.46 115.11 108.08 1bsb h GLN 104 Ca -0.32 -0.22 -0.42 0.00 0.06 0.00 0.00 58.65 57.75 1bsb h GLN 104 Cb 1.19 0.06 -0.22 0.00 0.30 0.00 0.00 27.48 28.81 1bsb h GLN 104 CO 0.47 0.95 -0.78 0.95 -0.67 0.00 0.00 178.83 179.74 1bsb s THR 105 N -3.14 1.11 0.11 -0.54 -4.23 -1.26 -5.10 115.64 102.58 1bsb s THR 105 Ca -0.15 -1.26 0.06 0.00 -1.18 0.00 0.00 61.69 59.16 1bsb s THR 105 Cb 0.01 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 1bsb s THR 105 CO 0.75 -0.19 -0.15 -0.36 -0.54 0.00 0.00 174.62 174.13 1bsb s PHE 106 N -1.21 1.44 0.00 3.99 0.08 -1.26 -4.39 117.98 116.64 1bsb s PHE 106 Ca -0.02 -0.51 0.03 0.00 0.12 0.00 0.00 56.93 56.55 1bsb s PHE 106 Cb -0.10 -0.76 -0.01 0.00 -0.57 0.00 0.00 43.02 41.58 1bsb s PHE 106 CO 0.02 0.15 -0.08 0.99 -0.10 0.00 0.00 175.22 176.19 1bsb s THR 107 N -1.84 0.66 -0.02 0.64 2.01 0.09 -4.92 115.64 112.26 1bsb s THR 107 Ca 0.07 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.33 1bsb s THR 107 Cb -0.07 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 1bsb s THR 107 CO 0.03 0.12 0.95 -0.75 -0.69 0.00 0.00 174.62 174.29 1bsb s LYS 108 N -0.36 4.53 -0.01 4.92 2.20 -1.26 -0.91 119.74 128.86 1bsb s LYS 108 Ca 0.02 1.36 0.06 0.00 -0.36 0.00 0.00 55.97 57.05 1bsb s LYS 108 Cb -0.04 -3.47 -0.09 0.00 -1.51 0.00 0.00 37.83 32.73 1bsb s LYS 108 CO -0.00 -0.06 0.20 0.44 -0.36 0.00 0.00 175.35 175.57 1bsb n ILE 109 N 3.94 0.00 -1.30 5.43 -5.35 -0.43 -4.95 119.36 116.71 1bsb n ILE 109 Ca 0.05 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1bsb n ILE 109 Cb 0.51 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 1bsb n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33