#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bri n ASN 5 N 0.00 0.05 -4.93 4.38 6.94 -1.26 -4.77 115.26 115.67 1bri n ASN 5 Ca 0.00 -1.36 -0.25 0.00 -0.02 0.00 0.00 54.58 52.95 1bri n ASN 5 Cb 0.00 -0.07 -0.00 0.00 -2.36 0.00 0.00 39.78 37.35 1bri n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bri s THR 6 N -0.04 4.73 0.12 5.53 -4.23 -1.26 -0.23 115.64 120.26 1bri s THR 6 Ca 0.00 -0.17 -0.18 0.00 -1.18 0.00 0.00 61.69 60.16 1bri s THR 6 Cb 0.00 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 1bri s THR 6 CO 0.00 -0.63 1.70 -0.26 -0.54 0.00 0.00 174.62 174.89 1bri h PHE 7 N 0.41 0.41 -0.13 3.99 0.04 -1.97 -1.16 116.94 118.53 1bri h PHE 7 Ca -0.48 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.22 1bri h PHE 7 Cb 1.22 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.24 1bri h PHE 7 CO 0.53 0.37 -0.15 -0.44 -0.60 0.00 0.00 178.31 178.02 1bri h ASP 8 N 0.34 0.35 0.26 2.17 3.32 -1.99 -2.16 116.42 118.71 1bri h ASP 8 Ca 0.10 -0.49 0.01 0.00 0.02 0.00 0.00 57.03 56.66 1bri h ASP 8 Cb 0.10 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1bri h ASP 8 CO -0.01 0.78 -0.37 1.23 -1.72 0.00 0.00 179.24 179.14 1bri h GLY 9 N -0.06 -0.82 1.59 2.75 0.00 -1.97 -0.15 103.07 104.42 1bri h GLY 9 Ca 0.02 0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.74 1bri h GLY 9 CO 0.04 -0.29 0.01 -2.08 0.00 0.00 0.00 176.54 174.22 1bri h VAL 10 N -0.70 1.19 0.06 4.60 2.07 -1.29 -1.54 116.25 120.64 1bri h VAL 10 Ca -0.00 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1bri h VAL 10 Cb 0.66 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1bri h VAL 10 CO -0.13 0.26 -0.03 0.00 0.02 0.00 0.00 177.57 177.68 1bri h ALA 11 N 1.52 -0.08 -0.38 1.67 0.00 -0.55 -1.08 119.26 120.37 1bri h ALA 11 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1bri h ALA 11 Cb 0.30 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1bri h ALA 11 CO 0.01 -0.55 0.14 -0.44 0.00 0.00 0.00 179.25 178.41 1bri h ASP 12 N -0.09 0.53 -0.12 0.00 3.32 -1.01 -2.42 116.42 116.63 1bri h ASP 12 Ca -0.01 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 56.91 1bri h ASP 12 Cb 0.08 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.43 1bri h ASP 12 CO 0.01 0.57 -0.28 0.22 -1.72 0.00 0.00 179.24 178.04 1bri h TYR 13 N 0.46 -0.75 -0.58 4.55 5.03 -1.14 -1.20 116.97 123.35 1bri h TYR 13 Ca 0.12 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.44 1bri h TYR 13 Cb 0.21 0.35 -0.03 0.00 1.55 0.00 0.00 36.73 38.81 1bri h TYR 13 CO 0.00 -0.36 0.23 -0.07 -1.32 0.00 0.00 178.16 176.65 1bri h LEU 14 N -0.35 0.76 -0.11 2.82 3.38 -1.05 0.19 115.31 120.95 1bri h LEU 14 Ca 0.10 -0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1bri h LEU 14 Cb 0.50 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1bri h LEU 14 CO -0.32 0.68 -0.75 1.56 0.09 0.00 0.00 178.44 179.70 1bri h GLN 15 N 0.82 0.70 0.22 1.13 4.20 -1.11 0.48 115.11 121.55 1bri h GLN 15 Ca 0.20 -0.60 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 1bri h GLN 15 Cb 0.16 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1bri h GLN 15 CO -0.02 1.21 -0.10 0.00 -0.67 0.00 0.00 178.83 179.25 1bri h THR 16 N 0.38 0.74 -0.01 -0.54 1.03 -1.18 -3.38 112.91 109.95 1bri h THR 16 Ca -0.06 -0.96 0.00 0.00 -0.01 0.00 0.00 66.41 65.38 1bri h THR 16 Cb 1.39 1.20 0.00 0.00 -1.07 0.00 0.00 68.15 69.67 1bri h THR 16 CO 0.15 0.18 -0.56 -1.22 -0.01 0.00 0.00 175.52 174.06 1bri n TYR 17 N -4.99 0.00 -2.29 0.00 4.01 0.68 -4.99 117.16 109.58 1bri n TYR 17 Ca -0.08 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.46 1bri n TYR 17 Cb 0.26 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.18 1bri n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bri n HIS 18 N -0.91 -0.90 -3.51 -0.72 8.25 0.17 -4.95 115.22 112.65 1bri n HIS 18 Ca 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.43 1bri n HIS 18 Cb 0.37 -3.80 -0.02 0.00 1.12 0.00 0.00 29.99 27.66 1bri n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bri s LYS 19 N -4.86 1.31 0.50 -0.41 -2.85 -1.26 -5.05 119.74 107.13 1bri s LYS 19 Ca 0.00 -0.57 -0.19 0.00 -1.00 0.00 0.00 55.97 54.21 1bri s LYS 19 Cb 0.00 0.57 -0.08 0.00 -2.06 0.00 0.00 37.83 36.26 1bri s LYS 19 CO 0.00 -0.57 1.01 -0.51 0.10 0.00 0.00 175.35 175.38 1bri s LEU 20 N -2.78 3.74 1.08 2.77 1.43 -1.26 -4.15 118.68 119.51 1bri s LEU 20 Ca 0.03 1.77 -0.13 0.00 -1.03 0.00 0.00 54.13 54.77 1bri s LEU 20 Cb -0.01 -4.54 0.19 0.00 0.03 0.00 0.00 46.19 41.86 1bri s LEU 20 CO -0.10 -0.72 0.78 -2.65 0.23 0.00 0.00 176.35 173.88 1bri n PRO 21 N -1.25 -1.55 0.10 1.29 -0.02 -1.26 -4.87 135.00 127.44 1bri n PRO 21 Ca 0.08 -0.41 0.08 0.00 -2.02 0.00 0.00 63.50 61.23 1bri n PRO 21 Cb 0.53 -2.09 0.40 0.00 -0.02 0.00 0.00 33.50 32.32 1bri n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bri n ASP 22 N -3.71 0.39 -0.07 2.55 8.00 -1.26 -2.77 116.55 119.68 1bri n ASP 22 Ca 0.05 0.65 0.13 0.00 0.71 0.00 0.00 54.79 56.33 1bri n ASP 22 Cb 0.55 -0.71 0.76 0.00 -0.02 0.00 0.00 41.12 41.70 1bri n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bri n ASN 23 N -1.98 0.22 -4.81 -2.24 6.94 -1.26 -4.87 115.26 107.25 1bri n ASN 23 Ca 0.00 -1.21 -0.36 0.00 -0.02 0.00 0.00 54.58 52.99 1bri n ASN 23 Cb 0.09 -0.01 -0.07 0.00 -2.36 0.00 0.00 39.78 37.43 1bri n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bri s TYR 24 N -1.99 3.48 0.04 -2.53 2.02 -1.11 -0.90 117.35 116.36 1bri s TYR 24 Ca 0.40 0.41 0.04 0.00 -0.37 0.00 0.00 57.07 57.55 1bri s TYR 24 Cb 0.19 -1.97 -0.02 0.00 -0.40 0.00 0.00 41.96 39.75 1bri s TYR 24 CO 0.31 0.58 -0.12 0.96 -1.57 0.00 0.00 175.55 175.71 1bri s ILE 25 N -0.65 0.91 0.88 2.71 -4.36 0.08 -4.88 121.20 115.89 1bri s ILE 25 Ca 0.13 -1.01 -0.12 0.00 -0.26 0.00 0.00 60.65 59.38 1bri s ILE 25 Cb -0.12 -0.86 0.12 0.00 1.25 0.00 0.00 42.46 42.85 1bri s ILE 25 CO 0.02 -0.13 1.11 0.42 0.24 0.00 0.00 174.94 176.61 1bri s THR 26 N -1.00 2.45 0.24 8.37 -4.23 -1.19 -0.92 115.64 119.36 1bri s THR 26 Ca -0.02 0.15 -0.05 0.00 -1.18 0.00 0.00 61.69 60.59 1bri s THR 26 Cb -0.08 -2.82 0.21 0.00 1.34 0.00 0.00 72.50 71.14 1bri s THR 26 CO 0.01 -0.19 1.82 0.11 -0.54 0.00 0.00 174.62 175.83 1bri h LYS 27 N -1.43 0.80 -0.47 3.99 1.57 -1.96 0.41 116.57 119.47 1bri h LYS 27 Ca -0.50 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.14 1bri h LYS 27 Cb 1.30 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1bri h LYS 27 CO 0.59 0.53 -0.08 0.66 -0.57 0.00 0.00 179.45 180.58 1bri h SER 28 N 0.82 0.90 -0.58 0.86 4.64 -1.99 0.20 113.55 118.40 1bri h SER 28 Ca 0.38 -0.35 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 1bri h SER 28 Cb 0.31 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1bri h SER 28 CO -0.23 1.03 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.43 1bri h GLU 29 N 0.74 1.03 -0.30 4.77 5.08 -1.76 -2.14 114.58 122.01 1bri h GLU 29 Ca 0.12 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1bri h GLU 29 Cb 0.63 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1bri h GLU 29 CO 0.04 1.02 0.04 0.00 -1.00 0.00 0.00 179.01 179.11 1bri h ALA 30 N 0.97 0.40 -0.72 3.43 0.00 -0.74 -2.63 119.26 119.98 1bri h ALA 30 Ca 0.16 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1bri h ALA 30 Cb 0.56 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1bri h ALA 30 CO 0.03 0.11 0.36 1.96 0.00 0.00 0.00 179.25 181.71 1bri h GLN 31 N 0.32 0.59 -0.36 0.00 4.20 -0.49 -0.52 115.11 118.85 1bri h GLN 31 Ca 0.09 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1bri h GLN 31 Cb 0.36 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1bri h GLN 31 CO 0.01 0.39 0.03 0.00 -0.67 0.00 0.00 178.83 178.58 1bri h ALA 32 N 1.44 1.38 0.00 3.87 0.00 -1.20 -1.90 119.26 122.85 1bri h ALA 32 Ca 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1bri h ALA 32 Cb 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bri h ALA 32 CO -0.27 0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.69 1bri n LEU 33 N -4.29 0.00 0.00 0.00 4.77 -0.76 -4.89 117.00 111.83 1bri n LEU 33 Ca 0.02 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1bri n LEU 33 Cb 0.23 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1bri n LEU 33 CO 0.39 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1bri n GLY 34 N 1.23 1.59 3.71 -0.72 0.00 -0.71 -4.91 105.19 105.37 1bri n GLY 34 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1bri n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bri s TRP 35 N -2.00 3.27 -0.28 1.61 -0.00 -0.28 -4.91 118.94 116.35 1bri s TRP 35 Ca 0.00 1.15 0.02 0.00 -0.00 0.00 0.00 56.10 57.26 1bri s TRP 35 Cb 0.00 -3.51 0.08 0.00 -0.00 0.00 0.00 33.47 30.04 1bri s TRP 35 CO 0.00 -1.67 -0.00 0.08 -0.00 0.00 0.00 176.95 175.36 1bri s VAL 36 N 1.48 1.69 0.17 5.86 1.01 -1.26 -4.46 120.40 124.89 1bri s VAL 36 Ca 0.60 -1.61 -0.20 0.00 0.00 0.00 0.00 61.98 60.77 1bri s VAL 36 Cb -0.30 -2.07 0.10 0.00 0.00 0.00 0.00 36.38 34.11 1bri s VAL 36 CO 0.28 -0.34 1.62 0.00 0.00 0.00 0.00 175.10 176.66 1bri h ALA 37 N 7.86 0.03 0.00 5.51 0.00 -2.00 -0.50 119.26 130.16 1bri h ALA 37 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bri h ALA 37 Cb 1.04 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1bri h ALA 37 CO 0.46 -0.61 0.03 0.43 0.00 0.00 0.00 179.25 179.56 1bri n SER 38 N -5.40 0.10 -0.47 0.00 7.64 -1.26 -1.93 113.62 112.30 1bri n SER 38 Ca 0.02 0.52 0.09 0.00 1.01 0.00 0.00 58.87 60.52 1bri n SER 38 Cb 0.31 -0.53 0.01 0.00 -1.01 0.00 0.00 64.21 62.99 1bri n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bri n LYS 39 N -1.62 1.57 -3.90 1.43 5.02 -0.20 -4.97 118.16 115.49 1bri n LYS 39 Ca -0.00 -1.00 -0.31 0.00 -2.02 0.00 0.00 58.31 54.98 1bri n LYS 39 Cb 0.03 -1.34 0.01 0.00 -0.02 0.00 0.00 35.03 33.72 1bri n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bri n GLY 40 N 1.20 -0.49 1.33 0.72 0.00 -0.81 -4.90 105.19 102.24 1bri n GLY 40 Ca 0.08 0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.38 1bri n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bri n ASN 41 N -2.74 3.89 -0.18 1.61 6.94 -1.26 -3.97 115.26 119.55 1bri n ASN 41 Ca 0.04 -2.10 -0.01 0.00 -0.02 0.00 0.00 54.58 52.49 1bri n ASN 41 Cb 0.52 -0.49 0.09 0.00 -2.36 0.00 0.00 39.78 37.54 1bri n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bri h LEU 42 N 3.99 0.17 -1.63 -4.53 5.85 -1.87 -0.84 115.31 116.45 1bri h LEU 42 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1bri h LEU 42 Cb 1.03 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1bri h LEU 42 CO 0.05 0.11 0.00 0.00 -0.34 0.00 0.00 178.44 178.26 1bri h ALA 43 N 1.39 1.00 0.08 1.25 0.00 -1.85 0.91 119.26 122.05 1bri h ALA 43 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.91 1bri h ALA 43 Cb 0.34 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.14 1bri h ALA 43 CO -0.29 0.00 -1.15 -0.44 0.00 0.00 0.00 179.25 177.36 1bri h ASP 44 N 0.00 0.72 0.18 0.00 3.32 -1.51 -2.90 116.42 116.23 1bri h ASP 44 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 57.03 56.40 1bri h ASP 44 Cb 0.31 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1bri h ASP 44 CO 0.00 1.46 -1.49 1.33 -1.72 0.00 0.00 179.24 178.82 1bri n VAL 45 N -3.74 0.09 -3.06 -1.35 0.24 -0.96 -4.69 118.33 104.86 1bri n VAL 45 Ca -0.11 -0.35 -0.19 0.00 -2.04 0.00 0.00 64.34 61.66 1bri n VAL 45 Cb 0.94 0.22 -0.03 0.00 -1.47 0.00 0.00 33.84 33.50 1bri n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bri n ALA 46 N -2.00 1.14 -1.62 2.33 0.00 0.28 -4.93 120.51 115.71 1bri n ALA 46 Ca -0.01 -2.68 -0.46 0.00 0.00 0.00 0.00 53.44 50.30 1bri n ALA 46 Cb 0.49 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 1bri n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bri n PRO 47 N 1.66 1.54 -0.88 0.00 -0.02 -1.10 -1.45 135.00 134.77 1bri n PRO 47 Ca 0.18 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1bri n PRO 47 Cb 0.56 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1bri n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bri n GLY 48 N 1.60 0.64 3.96 -1.23 0.00 -1.26 -5.01 105.19 103.89 1bri n GLY 48 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1bri n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bri s LYS 49 N -0.35 3.45 0.03 1.61 -0.14 -0.53 -4.82 119.74 119.00 1bri s LYS 49 Ca 0.00 -0.64 0.01 0.00 -1.36 0.00 0.00 55.97 53.98 1bri s LYS 49 Cb 0.00 -2.83 -0.02 0.00 -1.68 0.00 0.00 37.83 33.29 1bri s LYS 49 CO 0.00 0.36 -0.04 -1.12 -0.76 0.00 0.00 175.35 173.78 1bri s SER 50 N -3.96 0.47 0.15 2.83 0.01 -0.08 -4.85 113.70 108.28 1bri s SER 50 Ca 0.36 -0.59 -0.30 0.00 1.31 0.00 0.00 55.95 56.73 1bri s SER 50 Cb -0.09 0.09 -0.07 0.00 0.21 0.00 0.00 66.02 66.16 1bri s SER 50 CO 0.31 -0.31 1.18 -0.63 0.41 0.00 0.00 173.24 174.20 1bri s ILE 51 N -1.78 3.74 0.00 1.44 -1.09 -1.26 -0.74 121.20 121.50 1bri s ILE 51 Ca -0.11 1.41 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1bri s ILE 51 Cb -0.08 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 1bri s ILE 51 CO -0.02 0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.50 1bri n GLY 52 N 2.42 1.43 0.00 6.18 0.00 -0.10 -0.26 105.19 114.87 1bri n GLY 52 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1bri n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bri n GLY 53 N -0.19 0.71 3.86 -0.02 0.00 -0.04 -3.15 105.19 106.36 1bri n GLY 53 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1bri n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bri s ASP 54 N -1.73 6.71 0.23 1.61 1.01 -1.22 -4.82 116.67 118.46 1bri s ASP 54 Ca 0.00 1.10 -0.31 0.00 0.71 0.00 0.00 52.55 54.05 1bri s ASP 54 Cb 0.00 -2.30 -0.11 0.00 1.01 0.00 0.00 42.92 41.52 1bri s ASP 54 CO 0.00 -0.13 1.65 -0.63 0.21 0.00 0.00 175.17 176.27 1bri s ILE 55 N -1.89 2.14 -0.20 0.77 -1.09 -1.26 -1.08 121.20 118.60 1bri s ILE 55 Ca 0.50 0.11 -0.03 0.00 -2.23 0.00 0.00 60.65 59.00 1bri s ILE 55 Cb -0.11 -3.07 -0.01 0.00 -1.58 0.00 0.00 42.46 37.69 1bri s ILE 55 CO 0.19 0.01 -0.06 0.12 -1.23 0.00 0.00 174.94 173.97 1bri s PHE 56 N 0.73 2.93 0.12 3.97 5.36 -0.03 -4.82 117.98 126.24 1bri s PHE 56 Ca 0.70 -0.85 -0.15 0.00 -0.96 0.00 0.00 56.93 55.66 1bri s PHE 56 Cb -0.48 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.13 1bri s PHE 56 CO 0.38 -0.45 1.56 1.03 -1.46 0.00 0.00 175.22 176.27 1bri h SER 57 N 7.74 0.64 -5.14 6.13 0.87 -1.95 -3.37 113.55 118.48 1bri h SER 57 Ca -0.38 -0.31 -0.34 0.00 -1.23 0.00 0.00 61.79 59.53 1bri h SER 57 Cb 1.17 -0.17 0.12 0.00 -0.44 0.00 0.00 62.40 63.08 1bri h SER 57 CO 0.60 0.80 -0.58 -3.20 -0.53 0.00 0.00 176.83 173.92 1bri n ASN 58 N -4.48 -5.77 0.09 6.23 5.15 -1.26 -4.91 115.26 110.31 1bri n ASN 58 Ca -0.01 -0.46 0.02 0.00 -0.60 0.00 0.00 54.58 53.52 1bri n ASN 58 Cb 0.28 -4.38 0.37 0.00 -0.53 0.00 0.00 39.78 35.53 1bri n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1bri h ARG 59 N -2.32 0.32 -0.20 1.20 -0.00 -2.00 -2.91 114.38 108.46 1bri h ARG 59 Ca -0.49 -0.07 0.00 0.00 -0.50 0.00 0.00 59.98 58.93 1bri h ARG 59 Cb 1.32 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 31.24 1bri h ARG 59 CO 0.48 0.41 0.00 0.39 0.00 0.00 0.00 179.97 181.25 1bri n GLU 60 N -4.29 1.47 -2.89 0.04 1.02 -1.26 -4.91 120.64 109.82 1bri n GLU 60 Ca -0.00 -0.74 -0.20 0.00 -0.02 0.00 0.00 57.16 56.20 1bri n GLU 60 Cb 0.25 -1.16 0.01 0.00 -0.02 0.00 0.00 31.44 30.51 1bri n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bri n GLY 61 N 0.83 -0.51 0.17 0.62 0.00 -1.10 -4.89 105.19 100.31 1bri n GLY 61 Ca 0.07 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1bri n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bri h LYS 62 N -0.79 0.00 -6.10 1.61 1.57 -1.91 -3.45 116.57 107.50 1bri h LYS 62 Ca -0.45 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.69 1bri h LYS 62 Cb 1.32 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.55 1bri h LYS 62 CO 0.52 0.35 -0.57 -0.51 -0.57 0.00 0.00 179.45 178.67 1bri s LEU 63 N -6.42 3.96 0.21 2.94 1.43 -1.26 -4.93 118.68 114.60 1bri s LEU 63 Ca 0.04 0.07 -0.32 0.00 -1.03 0.00 0.00 54.13 52.90 1bri s LEU 63 Cb 0.07 -2.61 -0.12 0.00 0.03 0.00 0.00 46.19 43.56 1bri s LEU 63 CO 0.72 0.17 1.70 -2.16 0.23 0.00 0.00 176.35 177.01 1bri s PRO 64 N -2.40 4.13 0.13 1.29 0.04 -1.26 -4.98 135.00 131.95 1bri s PRO 64 Ca 0.31 2.58 0.03 0.00 0.04 0.00 0.00 61.00 63.95 1bri s PRO 64 Cb -0.12 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1bri s PRO 64 CO 0.23 -0.73 0.23 0.20 0.04 0.00 0.00 177.00 176.97 1bri s GLY 65 N 1.14 1.81 -0.13 0.56 0.00 -1.26 -5.08 107.32 104.36 1bri s GLY 65 Ca 0.74 -1.04 -0.29 0.00 0.00 0.00 0.00 44.72 44.12 1bri s GLY 65 CO 0.33 -1.03 0.78 1.25 0.00 0.00 0.00 173.10 174.43 1bri s LYS 66 N -3.03 0.88 0.30 2.90 2.20 -1.26 -5.08 119.74 116.64 1bri s LYS 66 Ca 0.33 0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 56.03 1bri s LYS 66 Cb -0.11 0.42 -0.11 0.00 -1.51 0.00 0.00 37.83 36.52 1bri s LYS 66 CO 0.27 -0.24 1.49 -1.54 -0.36 0.00 0.00 175.35 174.97 1bri s SER 67 N -0.82 6.50 -0.92 1.43 1.04 -1.26 -2.16 113.70 117.51 1bri s SER 67 Ca -0.06 2.85 0.00 0.00 0.48 0.00 0.00 55.95 59.22 1bri s SER 67 Cb -0.01 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1bri s SER 67 CO 0.05 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1bri n GLY 68 N 1.72 0.84 3.43 7.32 0.00 -1.26 -5.01 105.19 112.23 1bri n GLY 68 Ca 0.06 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 1bri n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bri s ARG 69 N -3.14 3.43 -0.00 1.61 3.52 -0.92 -4.98 118.95 118.46 1bri s ARG 69 Ca 0.00 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 55.00 1bri s ARG 69 Cb 0.00 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1bri s ARG 69 CO 0.00 -0.33 -0.11 0.95 -0.81 0.00 0.00 175.30 174.99 1bri s THR 70 N 1.60 3.30 -0.04 4.11 -4.23 -1.26 -4.76 115.64 114.35 1bri s THR 70 Ca 0.05 -0.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1bri s THR 70 Cb -0.16 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 1bri s THR 70 CO 0.05 0.43 -0.05 0.26 -0.54 0.00 0.00 174.62 174.77 1bri s TRP 71 N -0.91 2.96 0.21 3.99 0.52 -1.26 -0.35 118.94 124.10 1bri s TRP 71 Ca 0.15 0.02 0.07 0.00 0.02 0.00 0.00 56.10 56.36 1bri s TRP 71 Cb -0.11 -1.68 -0.05 0.00 -1.15 0.00 0.00 33.47 30.49 1bri s TRP 71 CO 0.05 0.37 -0.12 1.03 0.02 0.00 0.00 176.95 178.30 1bri s ARG 72 N -1.11 1.34 0.11 4.98 0.52 0.80 -0.85 118.95 124.73 1bri s ARG 72 Ca 0.15 -1.61 0.04 0.00 -0.52 0.00 0.00 55.73 53.79 1bri s ARG 72 Cb -0.11 -1.06 -0.04 0.00 0.52 0.00 0.00 34.95 34.26 1bri s ARG 72 CO 0.05 0.14 -0.10 -1.83 0.02 0.00 0.00 175.30 173.57 1bri s GLU 73 N -3.68 0.90 -0.07 3.54 -1.05 -0.24 -0.93 118.70 117.17 1bri s GLU 73 Ca 0.23 -1.21 -0.10 0.00 -0.15 0.00 0.00 54.97 53.74 1bri s GLU 73 Cb 0.00 -0.58 0.02 0.00 -0.44 0.00 0.00 34.13 33.14 1bri s GLU 73 CO 0.07 0.09 0.26 0.00 0.95 0.00 0.00 175.26 176.63 1bri s ALA 74 N -2.56 -0.66 0.41 -0.84 0.00 -0.65 -0.86 121.76 116.60 1bri s ALA 74 Ca 0.08 0.56 -0.24 0.00 0.00 0.00 0.00 51.96 52.35 1bri s ALA 74 Cb -0.02 -0.26 -0.09 0.00 0.00 0.00 0.00 23.12 22.75 1bri s ALA 74 CO 0.00 -0.17 1.07 -0.51 0.00 0.00 0.00 175.76 176.15 1bri s ASP 75 N -0.38 6.66 0.14 0.00 1.11 0.64 -1.04 116.67 123.79 1bri s ASP 75 Ca -0.05 2.07 0.10 0.00 0.18 0.00 0.00 52.55 54.85 1bri s ASP 75 Cb -0.03 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1bri s ASP 75 CO 0.01 -0.56 -0.23 0.00 1.18 0.00 0.00 175.17 175.57 1bri s ALA 76 N -1.66 2.53 -1.58 5.23 0.00 -0.82 -4.64 121.76 120.83 1bri s ALA 76 Ca 0.59 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1bri s ALA 76 Cb -0.23 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1bri s ALA 76 CO 0.28 0.54 0.00 0.09 0.00 0.00 0.00 175.76 176.67 1bri n ASN 77 N 0.73 -4.38 -4.76 0.00 3.02 0.68 -4.59 115.26 105.96 1bri n ASN 77 Ca -0.16 0.30 -0.39 0.00 -0.03 0.00 0.00 54.58 54.29 1bri n ASN 77 Cb 0.53 -3.88 -0.06 0.00 -0.61 0.00 0.00 39.78 35.77 1bri n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bri s TYR 78 N -2.50 3.93 0.13 3.10 5.04 -1.26 -4.95 117.35 120.84 1bri s TYR 78 Ca 0.00 1.89 0.00 0.00 -2.44 0.00 0.00 57.07 56.52 1bri s TYR 78 Cb 0.00 -2.97 0.00 0.00 0.35 0.00 0.00 41.96 39.34 1bri s TYR 78 CO 0.00 0.41 0.00 0.25 -1.34 0.00 0.00 175.55 174.87 1bri n THR 79 N 1.30 0.72 -3.87 4.34 -2.24 -1.26 -4.96 114.28 108.32 1bri n THR 79 Ca -0.01 0.24 -0.08 0.00 -2.27 0.00 0.00 64.05 61.93 1bri n THR 79 Cb 0.48 -1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 67.43 1bri n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bri s SER 80 N -5.58 -0.23 0.00 3.42 1.04 -1.26 -4.74 113.70 106.34 1bri s SER 80 Ca 0.00 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1bri s SER 80 Cb 0.00 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1bri s SER 80 CO 0.00 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.55 1bri n GLY 81 N -0.44 -1.77 3.77 7.32 0.00 -1.25 -4.90 105.19 107.93 1bri n GLY 81 Ca -0.04 -1.72 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 1bri n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bri s PHE 82 N 0.00 2.68 0.51 1.61 0.08 -1.26 -4.51 117.98 117.08 1bri s PHE 82 Ca 0.00 1.55 -0.22 0.00 0.12 0.00 0.00 56.93 58.38 1bri s PHE 82 Cb 0.00 -3.20 -0.06 0.00 -0.57 0.00 0.00 43.02 39.18 1bri s PHE 82 CO 0.00 -1.58 1.23 1.03 -0.10 0.00 0.00 175.22 175.80 1bri s ARG 83 N -3.74 3.46 0.00 0.44 0.52 -1.26 -5.01 118.95 113.36 1bri s ARG 83 Ca 0.69 1.91 0.00 0.00 -0.52 0.00 0.00 55.73 57.81 1bri s ARG 83 Cb -0.21 -2.28 0.00 0.00 0.52 0.00 0.00 34.95 32.97 1bri s ARG 83 CO 0.35 -0.84 0.00 0.27 0.02 0.00 0.00 175.30 175.10 1bri n ASN 84 N -0.82 0.00 -1.04 0.23 0.23 -1.26 -5.05 115.26 107.55 1bri n ASN 84 Ca 0.09 -0.73 0.08 0.00 -0.53 0.00 0.00 54.58 53.50 1bri n ASN 84 Cb 0.47 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.42 1bri n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bri n SER 85 N -2.18 3.63 -4.68 0.53 3.41 -1.26 -4.94 113.62 108.13 1bri n SER 85 Ca 0.00 -2.15 -0.38 0.00 -0.26 0.00 0.00 58.87 56.08 1bri n SER 85 Cb 0.00 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.49 1bri n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bri s ASP 86 N -1.06 6.54 0.00 4.04 1.01 -1.26 -1.47 116.67 124.47 1bri s ASP 86 Ca 0.38 0.64 -0.05 0.00 0.71 0.00 0.00 52.55 54.23 1bri s ASP 86 Cb 0.21 -2.26 -0.00 0.00 1.01 0.00 0.00 42.92 41.88 1bri s ASP 86 CO 0.22 -0.08 0.09 -0.13 0.21 0.00 0.00 175.17 175.49 1bri s ARG 87 N 1.20 0.39 -0.18 8.23 1.81 -0.49 -1.94 118.95 127.96 1bri s ARG 87 Ca 0.22 -0.37 -0.08 0.00 -1.72 0.00 0.00 55.73 53.79 1bri s ARG 87 Cb -0.15 0.16 -0.04 0.00 -0.45 0.00 0.00 34.95 34.47 1bri s ARG 87 CO 0.09 -0.08 0.08 0.42 -0.68 0.00 0.00 175.30 175.12 1bri s ILE 88 N -1.18 4.93 -0.13 1.52 1.01 -0.21 -1.19 121.20 125.95 1bri s ILE 88 Ca -0.13 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1bri s ILE 88 Cb -0.07 -3.22 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 1bri s ILE 88 CO 0.01 0.46 -0.19 -0.76 0.00 0.00 0.00 174.94 174.46 1bri s LEU 89 N 0.30 2.33 -0.02 2.97 2.01 -0.19 -1.64 118.68 124.45 1bri s LEU 89 Ca 0.04 -0.49 -0.01 0.00 0.01 0.00 0.00 54.13 53.69 1bri s LEU 89 Cb -0.12 -1.50 0.01 0.00 0.01 0.00 0.00 46.19 44.59 1bri s LEU 89 CO -0.00 0.13 0.03 -0.72 1.01 0.00 0.00 176.35 176.80 1bri s TYR 90 N 0.55 -0.01 0.44 0.29 1.13 -0.10 -0.85 117.35 118.78 1bri s TYR 90 Ca -0.12 0.10 -0.00 0.00 -1.41 0.00 0.00 57.07 55.64 1bri s TYR 90 Cb -0.16 -0.08 -0.01 0.00 -1.10 0.00 0.00 41.96 40.61 1bri s TYR 90 CO 0.04 -0.05 0.67 -1.54 -2.51 0.00 0.00 175.55 172.16 1bri s SER 91 N 0.42 5.95 0.22 -0.18 1.04 -0.98 -0.14 113.70 120.03 1bri s SER 91 Ca -0.03 0.40 0.19 0.00 0.48 0.00 0.00 55.95 56.99 1bri s SER 91 Cb -0.05 -1.71 0.89 0.00 0.10 0.00 0.00 66.02 65.26 1bri s SER 91 CO -0.01 -0.63 1.59 -1.54 0.98 0.00 0.00 173.24 173.63 1bri n SER 92 N -2.06 0.48 -0.66 7.02 3.41 0.53 -1.73 113.62 120.61 1bri n SER 92 Ca 0.00 0.66 0.08 0.00 -0.26 0.00 0.00 58.87 59.35 1bri n SER 92 Cb 0.57 -0.75 0.21 0.00 -0.26 0.00 0.00 64.21 63.98 1bri n SER 92 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1bri n ASP 93 N -2.07 3.34 -3.16 4.04 5.75 -1.26 -4.99 116.55 118.20 1bri n ASP 93 Ca 0.01 -2.79 -0.20 0.00 -0.01 0.00 0.00 54.79 51.80 1bri n ASP 93 Cb 0.13 -0.44 0.07 0.00 -1.03 0.00 0.00 41.12 39.86 1bri n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bri n TRP 94 N -0.48 -2.45 -2.92 2.11 7.02 -0.71 -5.03 117.44 114.97 1bri n TRP 94 Ca 0.17 0.87 -0.40 0.00 -1.02 0.00 0.00 57.50 57.13 1bri n TRP 94 Cb 0.73 -4.49 -0.06 0.00 -2.42 0.00 0.00 31.31 25.07 1bri n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bri s LEU 95 N -6.39 4.57 -0.08 -0.99 1.43 -1.26 -4.90 118.68 111.06 1bri s LEU 95 Ca 0.47 1.67 0.03 0.00 -1.03 0.00 0.00 54.13 55.27 1bri s LEU 95 Cb -0.21 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.66 1bri s LEU 95 CO 0.63 0.14 -0.17 -0.63 0.23 0.00 0.00 176.35 176.54 1bri s ILE 96 N -0.82 1.51 0.17 -0.59 1.01 -0.91 -2.31 121.20 119.26 1bri s ILE 96 Ca 0.38 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.40 1bri s ILE 96 Cb -0.23 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1bri s ILE 96 CO 0.27 0.44 -0.14 -0.31 0.00 0.00 0.00 174.94 175.20 1bri s TYR 97 N 0.53 1.56 0.17 3.97 1.51 -0.03 -0.22 117.35 124.84 1bri s TYR 97 Ca -0.16 -0.61 0.04 0.00 -1.01 0.00 0.00 57.07 55.33 1bri s TYR 97 Cb -0.17 -0.76 -0.05 0.00 -0.11 0.00 0.00 41.96 40.88 1bri s TYR 97 CO 0.06 0.25 -0.05 -1.59 -1.11 0.00 0.00 175.55 173.11 1bri s LYS 98 N -3.43 1.13 0.01 -0.62 -2.85 0.42 -1.03 119.74 113.38 1bri s LYS 98 Ca 0.18 -1.52 0.01 0.00 -1.00 0.00 0.00 55.97 53.64 1bri s LYS 98 Cb -0.01 -0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 35.21 1bri s LYS 98 CO 0.05 -0.01 -0.04 -0.08 0.10 0.00 0.00 175.35 175.36 1bri s THR 99 N -3.43 0.32 -0.03 3.79 -1.32 -0.33 -1.70 115.64 112.94 1bri s THR 99 Ca 0.21 -0.46 0.04 0.00 -1.21 0.00 0.00 61.69 60.27 1bri s THR 99 Cb 0.04 -0.33 0.07 0.00 -1.51 0.00 0.00 72.50 70.77 1bri s THR 99 CO 0.03 -0.10 0.97 0.35 -2.21 0.00 0.00 174.62 173.66 1bri n THR 100 N 2.46 1.03 -2.82 5.08 -2.24 -1.26 -1.39 114.28 115.14 1bri n THR 100 Ca -0.16 -1.12 -0.01 0.00 -2.27 0.00 0.00 64.05 60.49 1bri n THR 100 Cb 0.57 0.39 0.05 0.00 -2.10 0.00 0.00 70.33 69.24 1bri n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bri n ASP 101 N -0.63 1.55 -3.09 3.42 5.68 -1.16 -4.58 116.55 117.74 1bri n ASP 101 Ca 0.04 -2.10 -0.19 0.00 -0.50 0.00 0.00 54.79 52.03 1bri n ASP 101 Cb 0.40 -0.49 0.07 0.00 -1.14 0.00 0.00 41.12 39.96 1bri n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1bri n HIS 102 N -0.53 -2.33 -1.52 2.11 8.25 -0.54 -3.21 115.22 117.44 1bri n HIS 102 Ca 0.07 0.84 -0.09 0.00 -0.26 0.00 0.00 57.72 58.28 1bri n HIS 102 Cb 0.80 -4.44 -0.03 0.00 1.12 0.00 0.00 29.99 27.44 1bri n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1bri n TYR 103 N -4.44 -0.12 -0.05 4.41 4.01 -1.26 -4.93 117.16 114.78 1bri n TYR 103 Ca -0.04 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.51 1bri n TYR 103 Cb 0.57 -1.99 -0.13 0.00 -0.31 0.00 0.00 39.34 37.48 1bri n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1bri h GLN 104 N 0.00 0.09 -5.55 -0.72 4.20 -1.96 -3.47 115.11 107.70 1bri h GLN 104 Ca -0.20 -0.16 -0.45 0.00 0.06 0.00 0.00 58.65 57.90 1bri h GLN 104 Cb 0.77 0.06 -0.20 0.00 0.30 0.00 0.00 27.48 28.40 1bri h GLN 104 CO 0.28 1.08 -0.78 0.95 -0.67 0.00 0.00 178.83 179.68 1bri s THR 105 N -2.35 1.32 0.16 -0.54 -4.23 -1.26 -5.10 115.64 103.64 1bri s THR 105 Ca -0.22 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 58.88 1bri s THR 105 Cb 0.02 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 1bri s THR 105 CO 0.69 -0.25 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.98 1bri s PHE 106 N -1.54 1.77 -0.07 3.99 0.08 -1.26 -4.48 117.98 116.47 1bri s PHE 106 Ca 0.04 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 56.62 1bri s PHE 106 Cb -0.08 -0.89 0.02 0.00 -0.57 0.00 0.00 43.02 41.49 1bri s PHE 106 CO 0.03 0.30 -0.07 0.99 -0.10 0.00 0.00 175.22 176.37 1bri s THR 107 N -2.00 0.80 0.25 0.64 2.01 -0.69 -4.93 115.64 111.71 1bri s THR 107 Ca 0.14 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 1bri s THR 107 Cb -0.06 -0.80 -0.10 0.00 0.01 0.00 0.00 72.50 71.55 1bri s THR 107 CO 0.06 0.30 1.36 -0.75 -0.69 0.00 0.00 174.62 174.90 1bri s LYS 108 N 1.16 4.33 0.00 4.92 2.20 -1.26 -0.43 119.74 130.66 1bri s LYS 108 Ca -0.06 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 57.73 1bri s LYS 108 Cb -0.14 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1bri s LYS 108 CO -0.01 -0.30 0.00 0.44 -0.36 0.00 0.00 175.35 175.11 1bri n ILE 109 N 2.10 0.00 -1.21 5.43 -5.35 0.69 -4.89 119.36 116.13 1bri n ILE 109 Ca 0.05 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1bri n ILE 109 Cb 0.41 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 1bri n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33