#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hyk n ILE 2 N 0.00 0.00 0.10 0.00 2.08 -1.26 -4.57 119.36 115.70 3hyk n ILE 2 Ca 0.00 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.15 3hyk n ILE 2 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 39.64 38.77 3hyk n ILE 2 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3hyk h VAL 3 N 0.00 1.48 0.00 1.39 2.07 -0.56 -3.47 116.25 117.15 3hyk h VAL 3 Ca 0.00 -2.94 0.00 0.00 0.82 0.00 0.00 66.70 64.58 3hyk h VAL 3 Cb 0.00 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3hyk h VAL 3 CO 0.00 0.86 0.00 0.61 0.02 0.00 0.00 177.57 179.06 3hyk n GLY 4 N 1.43 0.61 3.15 2.17 0.00 -1.20 -4.96 105.19 106.39 3hyk n GLY 4 Ca -0.08 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 3hyk n GLY 4 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hyk s ILE 5 N -2.00 0.71 -0.07 -0.61 -4.36 -1.26 -0.69 121.20 112.92 3hyk s ILE 5 Ca 0.00 -1.68 -0.13 0.00 -0.26 0.00 0.00 60.65 58.58 3hyk s ILE 5 Cb 0.00 -1.37 0.03 0.00 1.25 0.00 0.00 42.46 42.37 3hyk s ILE 5 CO 0.00 -0.70 0.32 -0.83 0.24 0.00 0.00 174.94 173.98 3hyk s GLY 6 N -2.58 -0.20 0.04 6.27 0.00 -0.31 -3.53 107.32 107.01 3hyk s GLY 6 Ca 0.05 0.62 0.01 0.00 0.00 0.00 0.00 44.72 45.41 3hyk s GLY 6 CO -0.03 0.45 -0.06 -1.50 0.00 0.00 0.00 173.10 171.96 3hyk s ILE 7 N -0.62 0.40 -0.10 0.90 2.07 -1.26 -0.80 121.20 121.79 3hyk s ILE 7 Ca -0.07 -1.15 -0.13 0.00 -1.41 0.00 0.00 60.65 57.89 3hyk s ILE 7 Cb -0.04 -0.65 0.03 0.00 0.13 0.00 0.00 42.46 41.93 3hyk s ILE 7 CO 0.02 -0.50 0.35 -0.62 -1.91 0.00 0.00 174.94 172.29 3hyk s ASP 8 N -1.75 -0.33 -0.07 4.50 2.15 -0.53 -4.70 116.67 115.94 3hyk s ASP 8 Ca -0.09 0.54 0.03 0.00 0.43 0.00 0.00 52.55 53.46 3hyk s ASP 8 Cb -0.08 0.61 0.01 0.00 -0.30 0.00 0.00 42.92 43.17 3hyk s ASP 8 CO -0.01 -0.22 -0.15 -0.51 -0.17 0.00 0.00 175.17 174.10 3hyk s ILE 9 N -0.26 1.38 -0.05 4.11 2.07 -1.26 -1.90 121.20 125.30 3hyk s ILE 9 Ca -0.04 -0.63 0.03 0.00 -1.41 0.00 0.00 60.65 58.61 3hyk s ILE 9 Cb -0.03 -1.24 0.00 0.00 0.13 0.00 0.00 42.46 41.32 3hyk s ILE 9 CO 0.02 0.41 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.69 3hyk s ILE 10 N 0.57 1.18 -0.23 2.00 1.01 -0.18 -4.99 121.20 120.56 3hyk s ILE 10 Ca -0.16 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 59.65 3hyk s ILE 10 Cb -0.16 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 3hyk s ILE 10 CO 0.05 0.36 1.29 -0.70 0.00 0.00 0.00 174.94 175.93 3hyk s GLU 11 N 0.30 4.08 0.31 2.79 2.12 -1.26 -1.61 118.70 125.43 3hyk s GLU 11 Ca -0.08 1.48 0.02 0.00 0.36 0.00 0.00 54.97 56.75 3hyk s GLU 11 Cb -0.12 -3.82 0.57 0.00 0.26 0.00 0.00 34.13 31.02 3hyk s GLU 11 CO 0.02 -0.90 1.90 -0.07 -0.54 0.00 0.00 175.26 175.67 3hyk h LEU 12 N 10.27 0.88 -2.00 2.70 3.38 -1.54 -1.80 115.31 127.19 3hyk h LEU 12 Ca -0.26 0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.80 3hyk h LEU 12 Cb 1.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3hyk h LEU 12 CO 1.00 0.54 0.18 -1.13 0.09 0.00 0.00 178.44 179.12 3hyk h ASN 13 N 0.98 0.00 -0.31 -0.43 -0.73 -1.92 0.73 115.58 113.91 3hyk h ASN 13 Ca 0.41 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.46 3hyk h ASN 13 Cb 0.30 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 3hyk h ASN 13 CO -0.17 0.00 -0.27 -0.09 -0.37 0.00 0.00 177.43 176.53 3hyk h ARG 14 N 0.00 0.72 -0.17 6.67 2.43 -1.72 -1.13 114.38 121.19 3hyk h ARG 14 Ca 0.12 -0.37 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 3hyk h ARG 14 Cb 0.48 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3hyk h ARG 14 CO -0.00 0.98 -0.06 0.82 -1.51 0.00 0.00 179.97 180.20 3hyk h ILE 15 N 0.48 1.30 -0.94 1.20 1.08 -1.17 -2.91 117.51 116.55 3hyk h ILE 15 Ca 0.05 -1.06 0.16 0.00 -0.39 0.00 0.00 64.86 63.62 3hyk h ILE 15 Cb 0.83 1.65 -0.10 0.00 -3.07 0.00 0.00 36.82 36.13 3hyk h ILE 15 CO 0.07 0.32 0.54 -0.08 -0.69 0.00 0.00 178.15 178.31 3hyk h GLU 16 N 0.03 0.73 -1.58 2.37 4.81 -0.84 0.14 114.58 120.24 3hyk h GLU 16 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hyk h GLU 16 Cb 0.51 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3hyk h GLU 16 CO 0.02 0.48 0.00 1.63 -0.73 0.00 0.00 179.01 180.41 3hyk n LYS 17 N -4.78 0.42 0.00 1.92 5.02 -0.43 -3.36 118.16 116.95 3hyk n LYS 17 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 3hyk n LYS 17 Cb 0.47 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 3hyk n LYS 17 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hyk n LEU 19 N 0.79 0.00 -2.59 -0.35 4.77 0.48 -5.11 117.00 114.99 3hyk n LEU 19 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 3hyk n LEU 19 Cb 0.21 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 3hyk n LEU 19 CO 0.00 0.00 1.54 0.47 -1.33 0.00 0.00 177.39 178.07 3hyk n ASP 20 N 0.00 6.90 -4.33 -1.43 9.92 -1.21 -4.93 116.55 121.46 3hyk n ASP 20 Ca 0.00 -3.44 -0.44 0.00 -0.53 0.00 0.00 54.79 50.38 3hyk n ASP 20 Cb 0.00 -1.15 -0.08 0.00 -0.64 0.00 0.00 41.12 39.25 3hyk n ASP 20 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3hyk s LYS 24 N -2.63 2.86 0.00 -1.24 2.36 -1.26 -5.20 119.74 114.63 3hyk s LYS 24 Ca 0.55 -1.49 0.00 0.00 -2.55 0.00 0.00 55.97 52.48 3hyk s LYS 24 Cb 0.40 -4.08 0.00 0.00 -1.05 0.00 0.00 37.83 33.10 3hyk s LYS 24 CO -0.27 -1.10 0.00 0.34 1.55 0.00 0.00 175.35 175.88 3hyk n PHE 25 N 5.13 0.00 0.00 4.03 7.35 -1.26 -3.12 117.46 129.59 3hyk n PHE 25 Ca -0.12 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 3hyk n PHE 25 Cb 0.42 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.22 3hyk n PHE 25 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3hyk n GLU 27 N 0.65 0.00 0.05 -4.13 1.02 -1.26 -2.23 120.64 114.74 3hyk n GLU 27 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 3hyk n GLU 27 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 3hyk n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hyk h ARG 28 N 0.00 0.00 0.01 3.49 3.08 -2.00 -3.40 114.38 115.56 3hyk h ARG 28 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.65 3hyk h ARG 28 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 3hyk h ARG 28 CO 0.00 0.64 -2.35 -0.89 -1.07 0.00 0.00 179.97 176.30 3hyk n ILE 29 N -3.16 1.54 -3.63 2.04 2.08 -0.95 -4.50 119.36 112.78 3hyk n ILE 29 Ca -0.06 -0.47 -0.37 0.00 0.56 0.00 0.00 62.75 62.41 3hyk n ILE 29 Cb 0.91 -1.67 -0.06 0.00 -0.75 0.00 0.00 39.64 38.07 3hyk n ILE 29 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3hyk s LEU 30 N -7.05 4.39 0.96 1.39 1.43 -1.26 -4.52 118.68 114.02 3hyk s LEU 30 Ca -0.34 0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 53.30 3hyk s LEU 30 Cb 0.11 -2.37 0.17 0.00 0.03 0.00 0.00 46.19 44.13 3hyk s LEU 30 CO 0.58 0.30 1.20 0.42 0.23 0.00 0.00 176.35 179.07 3hyk s THR 31 N -0.67 1.93 0.16 5.49 -4.23 -1.26 -4.63 115.64 112.43 3hyk s THR 31 Ca 0.19 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.51 3hyk s THR 31 Cb -0.14 -2.82 0.06 0.00 1.34 0.00 0.00 72.50 70.94 3hyk s THR 31 CO 0.08 0.00 1.67 -0.08 -0.54 0.00 0.00 174.62 175.74 3hyk h GLU 32 N -1.66 -0.06 -0.56 3.99 4.57 -1.97 0.41 114.58 119.31 3hyk h GLU 32 Ca -0.47 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.73 3hyk h GLU 32 Cb 1.30 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.86 3hyk h GLU 32 CO 0.51 -0.04 0.35 -0.91 -1.18 0.00 0.00 179.01 177.74 3hyk h ASN 33 N -0.06 0.58 -0.32 1.04 2.35 -1.99 -1.17 115.58 116.00 3hyk h ASN 33 Ca 0.17 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3hyk h ASN 33 Cb 0.31 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3hyk h ASN 33 CO -0.37 0.41 0.02 -0.33 -1.65 0.00 0.00 177.43 175.50 3hyk h GLU 34 N 0.70 0.66 -0.31 0.81 5.08 -1.69 -2.53 114.58 117.29 3hyk h GLU 34 Ca 0.22 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 3hyk h GLU 34 Cb -0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3hyk h GLU 34 CO -0.08 0.67 -0.30 0.00 -1.00 0.00 0.00 179.01 178.30 3hyk h ARG 35 N 0.63 0.66 0.00 2.33 3.08 -0.48 0.65 114.38 121.25 3hyk h ARG 35 Ca 0.13 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 3hyk h ARG 35 Cb 0.37 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3hyk h ARG 35 CO 0.01 0.88 -0.23 -0.91 -1.07 0.00 0.00 179.97 178.65 3hyk h ASN 36 N 0.56 0.00 0.07 7.04 2.35 -0.84 -0.46 115.58 124.31 3hyk h ASN 36 Ca 0.07 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.62 3hyk h ASN 36 Cb 0.80 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.19 3hyk h ASN 36 CO 0.07 0.23 -0.81 0.58 -1.65 0.00 0.00 177.43 175.85 3hyk h VAL 37 N 0.00 1.42 -0.17 2.81 2.07 -1.02 -3.32 116.25 118.04 3hyk h VAL 37 Ca -0.00 -2.30 -0.01 0.00 0.82 0.00 0.00 66.70 65.20 3hyk h VAL 37 Cb 0.46 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 3hyk h VAL 37 CO 0.03 0.67 0.06 0.00 0.02 0.00 0.00 177.57 178.35 3hyk h ALA 38 N 0.24 1.80 -0.15 1.67 0.00 -0.30 -2.64 119.26 119.88 3hyk h ALA 38 Ca -0.12 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3hyk h ALA 38 Cb 1.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3hyk h ALA 38 CO 0.15 0.17 0.13 0.87 0.00 0.00 0.00 179.25 180.57 3hyk h LYS 39 N 0.23 0.00 -0.19 0.00 1.57 -1.20 0.50 116.57 117.48 3hyk h LYS 39 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hyk h LYS 39 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3hyk h LYS 39 CO -0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.28 3hyk n GLY 40 N -1.46 0.49 3.79 3.86 0.00 -0.99 -4.89 105.19 105.99 3hyk n GLY 40 Ca 0.01 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 3hyk n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hyk s LEU 41 N -1.59 3.72 0.19 0.99 1.43 0.16 -5.09 118.68 118.49 3hyk s LEU 41 Ca 0.33 -0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 3hyk s LEU 41 Cb 0.18 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3hyk s LEU 41 CO 0.27 -0.00 0.35 -1.59 0.23 0.00 0.00 176.35 175.61 3hyk s LYS 42 N -3.60 1.29 3.36 1.70 -2.85 -1.26 -4.75 119.74 113.62 3hyk s LYS 42 Ca 0.32 -1.19 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 3hyk s LYS 42 Cb -0.08 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 3hyk s LYS 42 CO 0.24 -0.50 0.00 0.41 0.10 0.00 0.00 175.35 175.60 3hyk n GLY 43 N -0.28 2.56 0.33 0.59 0.00 -1.26 -2.25 105.19 104.89 3hyk n GLY 43 Ca -0.05 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.83 3hyk n GLY 43 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hyk h SER 44 N 2.48 0.59 -0.52 1.61 0.02 -1.99 -1.46 113.55 114.26 3hyk h SER 44 Ca 0.00 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 3hyk h SER 44 Cb 0.00 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3hyk h SER 44 CO 0.00 0.41 0.07 -0.09 -1.14 0.00 0.00 176.83 176.08 3hyk h ARG 45 N 0.69 0.88 -0.41 3.45 9.65 -1.88 0.11 114.38 126.87 3hyk h ARG 45 Ca 0.23 -0.25 -0.07 0.00 -1.10 0.00 0.00 59.98 58.79 3hyk h ARG 45 Cb 0.07 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 3hyk h ARG 45 CO -0.06 0.87 -0.03 1.25 2.80 0.00 0.00 179.97 184.80 3hyk h LEU 46 N 0.76 0.74 -0.32 3.80 5.85 -0.96 -1.18 115.31 124.00 3hyk h LEU 46 Ca 0.16 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3hyk h LEU 46 Cb 0.43 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3hyk h LEU 46 CO 0.01 0.89 0.21 0.74 -0.34 0.00 0.00 178.44 179.96 3hyk h THR 47 N 0.58 1.08 -0.03 1.05 2.02 -0.99 -1.30 112.91 115.31 3hyk h THR 47 Ca 0.11 -0.15 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 3hyk h THR 47 Cb 0.53 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3hyk h THR 47 CO 0.03 0.08 -0.41 1.05 0.37 0.00 0.00 175.52 176.63 3hyk h GLU 48 N 0.43 0.07 -0.26 6.66 4.11 -0.73 -1.19 114.58 123.67 3hyk h GLU 48 Ca 0.12 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.46 3hyk h GLU 48 Cb -0.05 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3hyk h GLU 48 CO -0.03 0.48 -0.06 0.35 0.07 0.00 0.00 179.01 179.82 3hyk h PHE 49 N 0.06 0.57 -0.44 2.06 3.57 -0.83 0.14 116.94 122.06 3hyk h PHE 49 Ca 0.00 -0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.32 3hyk h PHE 49 Cb 0.76 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3hyk h PHE 49 CO 0.00 0.71 0.01 0.28 -2.23 0.00 0.00 178.31 177.09 3hyk h VAL 50 N 0.26 1.26 -0.59 1.41 2.07 -1.11 -1.99 116.25 117.55 3hyk h VAL 50 Ca 0.07 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 3hyk h VAL 50 Cb 0.52 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3hyk h VAL 50 CO 0.02 0.35 0.22 0.00 0.02 0.00 0.00 177.57 178.18 3hyk h ALA 51 N 0.91 0.77 -0.23 1.67 0.00 -1.15 -1.28 119.26 119.96 3hyk h ALA 51 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hyk h ALA 51 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hyk h ALA 51 CO 0.02 0.41 0.14 0.78 0.00 0.00 0.00 179.25 180.59 3hyk h GLY 52 N 0.83 0.31 1.00 0.00 0.00 -0.58 -1.35 103.07 103.30 3hyk h GLY 52 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3hyk h GLY 52 CO -0.01 0.10 0.45 3.21 0.00 0.00 0.00 176.54 180.28 3hyk h ARG 53 N 0.28 0.94 0.40 4.80 -0.00 -1.15 -0.06 114.38 119.58 3hyk h ARG 53 Ca 0.09 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.98 59.49 3hyk h ARG 53 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 29.97 29.74 3hyk h ARG 53 CO -0.04 0.64 -0.34 0.35 0.00 0.00 0.00 179.97 180.58 3hyk h PHE 54 N 0.95 -0.92 -0.95 3.04 3.57 -1.05 -1.24 116.94 120.34 3hyk h PHE 54 Ca 0.25 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.82 3hyk h PHE 54 Cb -0.07 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 3hyk h PHE 54 CO -0.02 -0.49 0.62 0.00 -2.23 0.00 0.00 178.31 176.19 3hyk h ALA 55 N -0.29 1.45 -0.30 2.41 0.00 -1.09 -0.41 119.26 121.04 3hyk h ALA 55 Ca -0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3hyk h ALA 55 Cb 0.66 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hyk h ALA 55 CO -0.03 0.41 0.01 0.00 0.00 0.00 0.00 179.25 179.63 3hyk h ALA 56 N 1.48 0.40 -0.43 0.00 0.00 -0.76 -0.13 119.26 119.82 3hyk h ALA 56 Ca 0.41 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3hyk h ALA 56 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hyk h ALA 56 CO -0.16 0.14 -0.09 0.87 0.00 0.00 0.00 179.25 180.02 3hyk h LYS 57 N 0.31 0.81 -0.33 0.00 1.57 -0.89 -0.68 116.57 117.37 3hyk h LYS 57 Ca 0.08 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 3hyk h LYS 57 Cb 0.42 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3hyk h LYS 57 CO 0.01 0.92 0.06 1.49 -0.57 0.00 0.00 179.45 181.37 3hyk h GLU 58 N 0.64 0.55 -0.67 3.15 4.81 -1.06 -1.04 114.58 120.95 3hyk h GLU 58 Ca 0.11 -0.14 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 3hyk h GLU 58 Cb 0.61 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 3hyk h GLU 58 CO 0.04 0.62 0.37 0.00 -0.73 0.00 0.00 179.01 179.31 3hyk h ALA 59 N 0.90 0.91 -0.83 2.92 0.00 -0.91 -0.84 119.26 121.42 3hyk h ALA 59 Ca 0.10 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3hyk h ALA 59 Cb 0.33 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3hyk h ALA 59 CO 0.00 0.03 0.39 -0.92 0.00 0.00 0.00 179.25 178.75 3hyk h TYR 60 N 0.67 1.20 0.00 0.00 3.20 -0.82 -1.00 116.97 120.22 3hyk h TYR 60 Ca 0.31 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 3hyk h TYR 60 Cb 0.22 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 3hyk h TYR 60 CO -0.08 0.87 -0.27 0.66 -1.64 0.00 0.00 178.16 177.70 3hyk h SER 61 N 1.18 0.00 0.51 -2.11 4.64 -0.26 -1.63 113.55 115.88 3hyk h SER 61 Ca 0.28 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.34 3hyk h SER 61 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3hyk h SER 61 CO -0.03 0.27 -1.16 0.11 -0.87 0.00 0.00 176.83 175.15 3hyk h LYS 62 N 0.00 0.34 -0.55 4.77 1.57 -0.60 0.16 116.57 122.25 3hyk h LYS 62 Ca -0.00 -0.49 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 3hyk h LYS 62 Cb 0.64 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 3hyk h LYS 62 CO 0.04 1.20 0.23 0.00 -0.57 0.00 0.00 179.45 180.35 3hyk h ALA 63 N 0.60 1.37 0.00 3.86 0.00 -0.43 -0.64 119.26 124.02 3hyk h ALA 63 Ca -0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3hyk h ALA 63 Cb 1.86 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 3hyk h ALA 63 CO 0.20 0.48 -0.14 -0.39 0.00 0.00 0.00 179.25 179.39 3hyk h VAL 64 N 0.79 0.30 0.00 0.00 -1.51 -1.34 -3.37 116.25 111.12 3hyk h VAL 64 Ca 0.19 -1.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 3hyk h VAL 64 Cb 0.14 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 3hyk h VAL 64 CO -0.02 0.14 0.00 0.61 -1.23 0.00 0.00 177.57 177.07 3hyk n GLY 65 N 0.56 0.65 0.02 5.19 0.00 -0.25 -4.96 105.19 106.41 3hyk n GLY 65 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 3hyk n GLY 65 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hyk n THR 66 N -2.01 0.28 -0.35 2.61 -2.24 -1.00 -5.00 114.28 106.56 3hyk n THR 66 Ca 0.00 -0.32 0.05 0.00 -2.27 0.00 0.00 64.05 61.51 3hyk n THR 66 Cb 0.00 -0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.07 3hyk n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hyk n GLY 67 N 2.09 -1.73 3.68 3.38 0.00 0.52 -4.74 105.19 108.38 3hyk n GLY 67 Ca -0.08 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 3hyk n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hyk s ILE 68 N -1.75 3.24 0.00 -0.61 -1.09 -1.26 -4.58 121.20 115.15 3hyk s ILE 68 Ca 0.00 0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 3hyk s ILE 68 Cb 0.00 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 3hyk s ILE 68 CO 0.00 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.30 3hyk n GLY 69 N 4.09 1.44 0.24 6.18 0.00 0.50 -4.99 105.19 112.65 3hyk n GLY 69 Ca 0.17 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.83 3hyk n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hyk h LYS 70 N 0.00 0.00 0.04 1.61 1.57 -1.95 -3.15 116.57 114.69 3hyk h LYS 70 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3hyk h LYS 70 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 3hyk h LYS 70 CO 0.00 0.15 -0.29 0.93 -0.57 0.00 0.00 179.45 179.67 3hyk h GLU 71 N 0.00 0.13 -4.09 3.15 3.07 -1.95 -3.46 114.58 111.43 3hyk h GLU 71 Ca -0.00 -0.19 -0.39 0.00 -0.50 0.00 0.00 59.36 58.27 3hyk h GLU 71 Cb 0.31 0.07 -0.33 0.00 -0.84 0.00 0.00 28.75 27.96 3hyk h GLU 71 CO 0.02 1.04 -0.77 0.08 -1.40 0.00 0.00 179.01 177.98 3hyk s VAL 72 N -2.54 0.51 0.24 3.13 1.01 -1.19 -5.11 120.40 116.46 3hyk s VAL 72 Ca -0.17 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3hyk s VAL 72 Cb -0.01 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 3hyk s VAL 72 CO 0.74 0.20 -0.04 -0.94 0.00 0.00 0.00 175.10 175.07 3hyk s SER 73 N 0.69 2.23 0.25 3.32 1.04 -1.26 -0.37 113.70 119.60 3hyk s SER 73 Ca -0.09 -1.19 -0.06 0.00 0.48 0.00 0.00 55.95 55.10 3hyk s SER 73 Cb -0.12 -0.07 0.46 0.00 0.10 0.00 0.00 66.02 66.39 3hyk s SER 73 CO 0.00 -0.42 1.66 -0.26 0.98 0.00 0.00 173.24 175.20 3hyk h PHE 74 N 2.42 0.11 0.00 5.02 0.04 -1.88 -2.15 116.94 120.50 3hyk h PHE 74 Ca -0.39 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.43 3hyk h PHE 74 Cb 1.22 0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.44 3hyk h PHE 74 CO 0.63 -0.18 0.00 1.28 -0.60 0.00 0.00 178.31 179.44 3hyk n LEU 75 N -5.26 0.00 0.03 1.54 4.77 -1.26 -2.29 117.00 114.52 3hyk n LEU 75 Ca 0.14 0.02 0.12 0.00 -0.03 0.00 0.00 56.01 56.27 3hyk n LEU 75 Cb 0.48 -0.02 0.25 0.00 -2.33 0.00 0.00 43.42 41.80 3hyk n LEU 75 CO 0.08 -0.00 0.46 0.47 -1.33 0.00 0.00 177.39 177.07 3hyk n ASP 76 N -1.02 0.54 -4.39 -1.43 8.00 -0.81 -4.89 116.55 112.56 3hyk n ASP 76 Ca 0.22 -0.02 -0.32 0.00 0.71 0.00 0.00 54.79 55.38 3hyk n ASP 76 Cb 0.11 0.14 -0.15 0.00 -0.02 0.00 0.00 41.12 41.21 3hyk n ASP 76 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hyk s ILE 77 N -3.07 2.48 -0.08 0.53 1.01 -0.97 -4.48 121.20 116.61 3hyk s ILE 77 Ca 0.09 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.75 3hyk s ILE 77 Cb 0.16 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.72 3hyk s ILE 77 CO 0.69 0.55 -0.10 -0.70 0.00 0.00 0.00 174.94 175.38 3hyk s GLU 78 N -0.78 1.62 -0.29 2.79 2.12 -0.39 -4.66 118.70 119.10 3hyk s GLU 78 Ca 0.11 -0.35 -0.10 0.00 0.36 0.00 0.00 54.97 54.99 3hyk s GLU 78 Cb -0.10 -1.45 -0.03 0.00 0.26 0.00 0.00 34.13 32.80 3hyk s GLU 78 CO 0.00 -0.08 0.17 0.08 -0.54 0.00 0.00 175.26 174.89 3hyk s VAL 79 N 1.04 4.98 0.11 3.70 1.01 -1.26 -0.20 120.40 129.77 3hyk s VAL 79 Ca -0.08 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 61.91 3hyk s VAL 79 Cb -0.15 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3hyk s VAL 79 CO -0.01 0.17 -0.25 -0.60 0.00 0.00 0.00 175.10 174.42 3hyk s ARG 80 N 1.70 1.57 -0.15 2.72 3.52 0.79 -4.90 118.95 124.20 3hyk s ARG 80 Ca 0.06 -1.26 -0.06 0.00 -0.13 0.00 0.00 55.73 54.34 3hyk s ARG 80 Cb -0.16 -1.97 -0.04 0.00 -1.56 0.00 0.00 34.95 31.22 3hyk s ARG 80 CO 0.09 0.47 0.07 -0.80 -0.81 0.00 0.00 175.30 174.31 3hyk s ASN 81 N -1.94 5.75 1.01 -2.12 -0.87 -1.26 0.17 114.94 115.67 3hyk s ASN 81 Ca 0.15 0.19 -0.03 0.00 -1.57 0.00 0.00 52.86 51.60 3hyk s ASN 81 Cb -0.10 -1.88 0.05 0.00 -0.02 0.00 0.00 41.25 39.29 3hyk s ASN 81 CO 0.06 0.28 0.25 -0.90 -2.57 0.00 0.00 177.10 174.22 3hyk n ASP 82 N 2.85 -0.17 0.29 -1.22 5.68 0.23 -4.79 116.55 119.44 3hyk n ASP 82 Ca -0.18 -1.02 0.15 0.00 -0.50 0.00 0.00 54.79 53.24 3hyk n ASP 82 Cb 0.53 -0.20 0.88 0.00 -1.14 0.00 0.00 41.12 41.20 3hyk n ASP 82 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3hyk h ASP 83 N -0.49 0.00 0.52 -1.12 2.03 -1.99 -0.70 116.42 114.67 3hyk h ASP 83 Ca -0.08 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.22 3hyk h ASP 83 Cb 0.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 3hyk h ASP 83 CO 0.06 0.02 -0.53 0.54 -1.03 0.00 0.00 179.24 178.30 3hyk n ARG 84 N -3.81 0.03 0.00 4.15 5.12 -1.26 -4.92 116.66 115.96 3hyk n ARG 84 Ca -0.03 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 3hyk n ARG 84 Cb 0.11 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 29.89 3hyk n ARG 84 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hyk n GLY 85 N 1.49 0.45 3.69 -0.13 0.00 -0.27 -5.07 105.19 105.35 3hyk n GLY 85 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3hyk n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hyk s LYS 86 N -0.97 4.31 0.07 1.61 2.36 -1.26 -4.51 119.74 121.35 3hyk s LYS 86 Ca 0.00 1.90 -0.31 0.00 -2.55 0.00 0.00 55.97 55.01 3hyk s LYS 86 Cb 0.00 -3.52 -0.07 0.00 -1.05 0.00 0.00 37.83 33.19 3hyk s LYS 86 CO 0.00 -0.51 1.36 -1.25 1.55 0.00 0.00 175.35 176.51 3hyk s PRO 87 N 2.13 4.33 -0.14 4.03 0.04 -1.26 -0.60 135.00 143.52 3hyk s PRO 87 Ca 0.62 1.99 0.01 0.00 0.04 0.00 0.00 61.00 63.66 3hyk s PRO 87 Cb -0.30 -3.38 -0.00 0.00 0.04 0.00 0.00 34.50 30.86 3hyk s PRO 87 CO 0.26 -0.46 -0.17 0.42 0.04 0.00 0.00 177.00 177.09 3hyk s ILE 88 N 1.55 2.55 -0.33 0.56 1.09 0.46 -4.65 121.20 122.44 3hyk s ILE 88 Ca 0.63 -0.82 -0.15 0.00 -1.10 0.00 0.00 60.65 59.22 3hyk s ILE 88 Cb -0.34 -2.06 -0.02 0.00 -1.06 0.00 0.00 42.46 38.99 3hyk s ILE 88 CO 0.29 0.53 0.36 -0.22 -0.10 0.00 0.00 174.94 175.80 3hyk s LEU 89 N 0.70 4.33 -0.33 2.97 0.20 -1.26 -0.15 118.68 125.14 3hyk s LEU 89 Ca -0.08 -0.11 -0.09 0.00 0.69 0.00 0.00 54.13 54.55 3hyk s LEU 89 Cb -0.16 -2.36 0.02 0.00 -0.43 0.00 0.00 46.19 43.26 3hyk s LEU 89 CO 0.01 -0.30 0.14 -0.63 -0.29 0.00 0.00 176.35 175.29 3hyk s ILE 90 N 2.04 4.28 0.20 6.68 -1.09 0.71 -4.88 121.20 129.15 3hyk s ILE 90 Ca 0.13 -0.75 -0.15 0.00 -2.23 0.00 0.00 60.65 57.65 3hyk s ILE 90 Cb -0.16 -3.30 0.01 0.00 -1.58 0.00 0.00 42.46 37.43 3hyk s ILE 90 CO 0.11 -0.07 0.46 0.28 -1.23 0.00 0.00 174.94 174.49 3hyk s THR 91 N 1.53 0.03 -0.31 2.92 -1.32 -1.26 -1.27 115.64 115.96 3hyk s THR 91 Ca 0.02 -1.05 -0.26 0.00 -1.21 0.00 0.00 61.69 59.19 3hyk s THR 91 Cb -0.18 -1.76 0.01 0.00 -1.51 0.00 0.00 72.50 69.06 3hyk s THR 91 CO 0.05 -0.15 0.94 -0.94 -2.21 0.00 0.00 174.62 172.31 3hyk s SER 92 N -2.92 6.82 -0.07 8.08 1.04 -1.26 -4.97 113.70 120.41 3hyk s SER 92 Ca 0.13 0.89 -0.29 0.00 0.48 0.00 0.00 55.95 57.16 3hyk s SER 92 Cb 0.00 -2.48 0.10 0.00 0.10 0.00 0.00 66.02 63.74 3hyk s SER 92 CO 0.00 -0.75 0.85 0.28 0.98 0.00 0.00 173.24 174.60 3hyk s THR 93 N 3.31 0.00 -0.75 2.02 -1.32 -1.26 -5.02 115.64 112.62 3hyk s THR 93 Ca 0.39 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.13 3hyk s THR 93 Cb -0.13 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.10 3hyk s THR 93 CO 0.13 0.00 1.71 -0.62 -2.21 0.00 0.00 174.62 173.64 3hyk n GLU 94 N 0.44 0.24 -2.78 7.08 1.02 -1.26 -4.92 120.64 120.46 3hyk n GLU 94 Ca -0.13 0.17 -0.23 0.00 -0.02 0.00 0.00 57.16 56.95 3hyk n GLU 94 Cb 0.59 -1.75 0.02 0.00 -0.02 0.00 0.00 31.44 30.29 3hyk n GLU 94 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3hyk s HIS 95 N -3.10 3.11 -0.15 -0.32 3.76 -1.26 -4.18 115.29 113.15 3hyk s HIS 95 Ca 0.10 0.22 -0.17 0.00 -0.15 0.00 0.00 55.06 55.06 3hyk s HIS 95 Cb 0.13 -2.53 -0.04 0.00 1.11 0.00 0.00 32.58 31.25 3hyk s HIS 95 CO 0.61 -0.61 0.44 0.42 -0.85 0.00 0.00 174.74 174.76 3hyk s ILE 96 N -2.70 5.20 -0.23 0.60 1.01 0.35 -4.94 121.20 120.49 3hyk s ILE 96 Ca 0.52 0.86 -0.07 0.00 0.00 0.00 0.00 60.65 61.96 3hyk s ILE 96 Cb -0.10 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 3hyk s ILE 96 CO 0.39 0.31 0.06 -0.69 0.00 0.00 0.00 174.94 175.01 3hyk s VAL 97 N 0.82 4.38 -0.16 2.92 1.01 -1.26 -0.60 120.40 127.50 3hyk s VAL 97 Ca 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 3hyk s VAL 97 Cb -0.15 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 3hyk s VAL 97 CO 0.09 0.36 -0.03 -1.00 0.00 0.00 0.00 175.10 174.52 3hyk s HIS 98 N 1.36 3.04 0.06 5.22 3.76 -0.59 -4.80 115.29 123.34 3hyk s HIS 98 Ca 0.05 -0.27 0.04 0.00 -0.15 0.00 0.00 55.06 54.72 3hyk s HIS 98 Cb -0.15 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.55 3hyk s HIS 98 CO 0.03 -0.02 -0.11 -1.17 -0.85 0.00 0.00 174.74 172.62 3hyk s LEU 99 N 0.36 2.29 -0.05 0.89 2.96 -1.26 -1.48 118.68 122.40 3hyk s LEU 99 Ca -0.04 -0.62 -0.12 0.00 -0.22 0.00 0.00 54.13 53.14 3hyk s LEU 99 Cb -0.14 -0.34 0.02 0.00 0.50 0.00 0.00 46.19 46.23 3hyk s LEU 99 CO 0.03 -0.16 0.28 -0.55 -1.32 0.00 0.00 176.35 174.63 3hyk s SER 100 N -1.77 -0.20 0.07 3.68 0.15 -0.85 -4.81 113.70 109.97 3hyk s SER 100 Ca -0.04 0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.87 3hyk s SER 100 Cb -0.09 0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 64.59 3hyk s SER 100 CO 0.01 -0.31 -0.11 -0.63 1.20 0.00 0.00 173.24 173.40 3hyk s ILE 101 N -0.80 0.91 -0.10 6.45 1.01 -1.26 -1.57 121.20 125.83 3hyk s ILE 101 Ca -0.09 -1.33 -0.14 0.00 0.00 0.00 0.00 60.65 59.09 3hyk s ILE 101 Cb -0.04 -1.02 0.03 0.00 0.01 0.00 0.00 42.46 41.44 3hyk s ILE 101 CO 0.02 -0.36 0.37 -0.55 0.00 0.00 0.00 174.94 174.43 3hyk s SER 102 N -1.88 -0.34 -0.08 3.58 0.15 -0.25 -5.00 113.70 109.88 3hyk s SER 102 Ca -0.02 0.56 -0.03 0.00 0.70 0.00 0.00 55.95 57.15 3hyk s SER 102 Cb -0.08 0.63 0.04 0.00 -1.71 0.00 0.00 66.02 64.90 3hyk s SER 102 CO 0.01 -0.25 0.17 -1.38 1.20 0.00 0.00 173.24 172.99 3hyk s HIS 103 N -0.32 -0.20 0.00 3.44 -3.43 -1.26 -0.53 115.29 112.99 3hyk s HIS 103 Ca -0.05 0.60 0.00 0.00 -0.80 0.00 0.00 55.06 54.81 3hyk s HIS 103 Cb -0.03 -0.14 0.00 0.00 -1.43 0.00 0.00 32.58 30.97 3hyk s HIS 103 CO 0.02 -0.23 0.00 -1.13 -2.00 0.00 0.00 174.74 171.40 3hyk n SER 104 N 4.76 0.00 -0.08 7.38 3.41 0.56 -4.98 113.62 124.68 3hyk n SER 104 Ca -0.16 -0.45 -0.05 0.00 -0.26 0.00 0.00 58.87 57.94 3hyk n SER 104 Cb 0.51 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.61 3hyk n SER 104 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3hyk h LYS 105 N 0.00 0.73 -0.00 4.33 3.64 -2.03 -3.33 116.57 119.91 3hyk h LYS 105 Ca 0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3hyk h LYS 105 Cb 0.00 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3hyk h LYS 105 CO 0.00 0.82 -0.10 0.39 -2.27 0.00 0.00 179.45 178.29 3hyk n GLU 106 N -4.17 2.35 -3.99 1.90 -0.58 -1.26 -4.90 120.64 110.00 3hyk n GLU 106 Ca 0.01 -0.44 -0.09 0.00 -0.42 0.00 0.00 57.16 56.22 3hyk n GLU 106 Cb 0.36 -0.93 -0.11 0.00 -0.57 0.00 0.00 31.44 30.20 3hyk n GLU 106 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3hyk s PHE 107 N -0.90 0.29 0.04 -0.32 0.08 -1.25 -1.30 117.98 114.62 3hyk s PHE 107 Ca 0.04 -0.61 0.07 0.00 0.12 0.00 0.00 56.93 56.55 3hyk s PHE 107 Cb 0.04 -0.22 -0.02 0.00 -0.57 0.00 0.00 43.02 42.25 3hyk s PHE 107 CO 0.12 -0.26 -0.20 0.00 -0.10 0.00 0.00 175.22 174.79 3hyk s ALA 108 N -2.09 1.68 0.02 5.36 0.00 -0.63 -0.32 121.76 125.77 3hyk s ALA 108 Ca -0.10 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3hyk s ALA 108 Cb -0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 3hyk s ALA 108 CO -0.03 0.37 -0.03 0.14 0.00 0.00 0.00 175.76 176.21 3hyk s VAL 109 N -0.78 0.12 -0.00 0.00 -7.23 0.31 -1.01 120.40 111.80 3hyk s VAL 109 Ca 0.07 -0.82 -0.05 0.00 -1.81 0.00 0.00 61.98 59.37 3hyk s VAL 109 Cb -0.09 -0.25 -0.00 0.00 0.56 0.00 0.00 36.38 36.60 3hyk s VAL 109 CO 0.02 -0.44 0.10 0.00 -0.31 0.00 0.00 175.10 174.47 3hyk s ALA 110 N -1.29 -0.24 0.02 1.32 0.00 -0.80 -1.09 121.76 119.68 3hyk s ALA 110 Ca -0.14 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.70 3hyk s ALA 110 Cb -0.09 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 3hyk s ALA 110 CO -0.01 -0.17 -0.05 1.14 0.00 0.00 0.00 175.76 176.67 3hyk s GLN 111 N -1.14 0.38 -0.01 0.00 -2.07 -0.61 -1.45 119.66 114.75 3hyk s GLN 111 Ca -0.12 -0.53 0.02 0.00 -1.82 0.00 0.00 55.36 52.91 3hyk s GLN 111 Cb -0.07 -0.14 0.00 0.00 -1.09 0.00 0.00 33.01 31.71 3hyk s GLN 111 CO 0.01 0.02 -0.05 0.08 -1.32 0.00 0.00 175.29 174.03 3hyk s VAL 112 N -1.04 0.43 -0.17 3.63 1.01 0.02 -2.00 120.40 122.28 3hyk s VAL 112 Ca -0.09 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3hyk s VAL 112 Cb -0.07 -0.39 0.03 0.00 0.00 0.00 0.00 36.38 35.95 3hyk s VAL 112 CO -0.00 0.14 -0.15 -0.69 0.00 0.00 0.00 175.10 174.40 3hyk s VAL 113 N 0.08 1.74 -0.23 2.92 1.01 -0.55 -1.16 120.40 124.21 3hyk s VAL 113 Ca -0.01 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.00 3hyk s VAL 113 Cb -0.05 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 3hyk s VAL 113 CO -0.00 0.41 0.39 -0.76 0.00 0.00 0.00 175.10 175.14 3hyk s LEU 114 N 1.40 4.10 -0.09 3.92 1.43 0.13 -1.54 118.68 128.04 3hyk s LEU 114 Ca 0.03 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 3hyk s LEU 114 Cb -0.14 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 3hyk s LEU 114 CO -0.11 -0.13 -0.10 -0.70 0.23 0.00 0.00 176.35 175.54 3hyk s GLU 115 N 1.65 2.96 0.46 1.70 2.12 0.23 0.23 118.70 128.04 3hyk s GLU 115 Ca 0.18 -0.62 -0.25 0.00 0.36 0.00 0.00 54.97 54.64 3hyk s GLU 115 Cb -0.15 -2.58 -0.08 0.00 0.26 0.00 0.00 34.13 31.58 3hyk s GLU 115 CO 0.09 0.48 1.38 -1.12 -0.54 0.00 0.00 175.26 175.55 3hyk s SER 116 N -0.33 5.86 0.00 -1.70 0.01 -1.26 -0.50 113.70 115.78 3hyk s SER 116 Ca 0.04 2.82 0.23 0.00 1.31 0.00 0.00 55.95 60.35 3hyk s SER 116 Cb -0.13 -2.65 0.18 0.00 0.21 0.00 0.00 66.02 63.64 3hyk s SER 116 CO 0.02 -1.17 1.23 -1.54 0.41 0.00 0.00 173.24 172.19