#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsf n ARG 2 N 0.00 -1.85 -2.84 0.00 5.12 -1.26 -5.01 116.66 110.82 3hsf n ARG 2 Ca 0.00 1.80 -0.23 0.00 -1.93 0.00 0.00 57.85 57.48 3hsf n ARG 2 Cb 0.00 -5.48 0.02 0.00 -1.16 0.00 0.00 32.46 25.83 3hsf n ARG 2 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3hsf s PRO 3 N -2.71 2.98 0.56 5.56 0.04 -1.26 -4.98 135.00 135.19 3hsf s PRO 3 Ca 0.14 -0.43 0.35 0.00 0.04 0.00 0.00 61.00 61.10 3hsf s PRO 3 Cb -0.04 -2.50 1.52 0.00 0.04 0.00 0.00 34.50 33.52 3hsf s PRO 3 CO 0.72 -0.40 2.04 0.00 0.04 0.00 0.00 177.00 179.40 3hsf h ALA 4 N 0.26 1.00 0.15 8.56 0.00 -1.98 -2.53 119.26 124.72 3hsf h ALA 4 Ca -0.46 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3hsf h ALA 4 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3hsf h ALA 4 CO 0.57 0.00 -0.07 0.35 0.00 0.00 0.00 179.25 180.10 3hsf h PHE 5 N 0.00 -0.19 0.00 0.00 3.57 -1.99 -2.01 116.94 116.32 3hsf h PHE 5 Ca 0.00 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3hsf h PHE 5 Cb 0.43 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3hsf h PHE 5 CO 0.00 0.25 -0.19 0.28 -2.23 0.00 0.00 178.31 176.42 3hsf h VAL 6 N -0.80 0.69 -0.11 1.41 2.07 -1.96 -1.93 116.25 115.61 3hsf h VAL 6 Ca -0.02 -0.81 -0.17 0.00 0.82 0.00 0.00 66.70 66.52 3hsf h VAL 6 Cb 0.53 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3hsf h VAL 6 CO 0.03 0.19 -0.64 0.78 0.02 0.00 0.00 177.57 177.95 3hsf h ASN 7 N 0.00 0.49 1.47 0.57 -0.26 -1.41 -3.07 115.58 113.37 3hsf h ASN 7 Ca -0.00 -0.29 -0.09 0.00 -0.56 0.00 0.00 56.30 55.36 3hsf h ASN 7 Cb 0.50 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.60 3hsf h ASN 7 CO 0.02 1.00 -0.54 0.07 -1.06 0.00 0.00 177.43 176.92 3hsf h LYS 8 N 0.31 0.00 0.00 0.81 2.10 -0.93 -3.24 116.57 115.61 3hsf h LYS 8 Ca -0.01 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.56 3hsf h LYS 8 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 3hsf h LYS 8 CO 0.11 0.38 -0.35 1.25 -2.00 0.00 0.00 179.45 178.84 3hsf h LEU 9 N 0.00 0.00 -0.34 7.07 5.85 -1.27 -2.47 115.31 124.14 3hsf h LEU 9 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3hsf h LEU 9 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3hsf h LEU 9 CO 0.05 0.35 0.00 0.79 -0.34 0.00 0.00 178.44 179.29 3hsf n TRP 10 N -3.87 0.29 -0.06 1.25 5.03 -1.18 -2.19 117.44 116.71 3hsf n TRP 10 Ca -0.01 0.12 -0.06 0.00 3.03 0.00 0.00 57.50 60.58 3hsf n TRP 10 Cb 0.42 -0.70 -0.10 0.00 -1.03 0.00 0.00 31.31 29.90 3hsf n TRP 10 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 3hsf n SER 11 N -1.77 1.87 -0.04 -0.99 2.88 -0.95 -4.22 113.62 110.41 3hsf n SER 11 Ca 0.02 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.43 3hsf n SER 11 Cb 0.13 0.83 -0.11 0.00 -0.75 0.00 0.00 64.21 64.31 3hsf n SER 11 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3hsf h MET 12 N 0.00 -0.02 0.00 -1.46 4.05 -1.35 -3.16 114.93 112.99 3hsf h MET 12 Ca -0.34 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.09 3hsf h MET 12 Cb 1.76 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.56 3hsf h MET 12 CO 0.02 0.70 0.00 0.28 0.23 0.00 0.00 176.91 178.14 3hsf h VAL 13 N -0.80 0.00 0.00 -5.77 2.07 -1.70 -3.36 116.25 106.69 3hsf h VAL 13 Ca -0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3hsf h VAL 13 Cb 0.73 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3hsf h VAL 13 CO 0.00 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.18 3hsf n ASN 14 N -2.90 0.00 0.00 0.57 4.13 -1.19 -4.57 115.26 111.30 3hsf n ASN 14 Ca -0.02 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.24 3hsf n ASN 14 Cb 0.12 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.36 3hsf n ASN 14 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3hsf n ASP 15 N 0.00 0.00 -0.01 6.41 5.68 -1.26 -4.79 116.55 122.58 3hsf n ASP 15 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 3hsf n ASP 15 Cb 0.00 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3hsf n ASP 15 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 3hsf n LYS 16 N 0.00 0.06 0.04 0.11 4.81 -1.26 -3.57 118.16 118.35 3hsf n LYS 16 Ca 0.00 0.28 -0.07 0.00 -0.87 0.00 0.00 58.31 57.65 3hsf n LYS 16 Cb 0.00 -0.86 -0.12 0.00 0.02 0.00 0.00 35.03 34.07 3hsf n LYS 16 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 3hsf h SER 17 N -0.12 0.00 -0.94 3.14 0.02 -1.92 -3.28 113.55 110.45 3hsf h SER 17 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 3hsf h SER 17 Cb 0.06 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 62.29 3hsf h SER 17 CO 0.00 0.96 0.54 -0.46 -1.14 0.00 0.00 176.83 176.73 3hsf n ASN 18 N -3.25 6.97 -4.56 3.07 0.23 -1.26 -4.96 115.26 111.50 3hsf n ASN 18 Ca -0.05 -3.78 -0.38 0.00 -0.53 0.00 0.00 54.58 49.85 3hsf n ASN 18 Cb 0.95 -0.85 -0.03 0.00 -2.08 0.00 0.00 39.78 37.77 3hsf n ASN 18 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 3hsf s GLU 19 N -3.76 2.38 0.00 -3.83 -1.05 -1.23 -1.45 118.70 109.76 3hsf s GLU 19 Ca 0.62 1.35 0.00 0.00 -0.15 0.00 0.00 54.97 56.79 3hsf s GLU 19 Cb 0.49 -4.51 0.00 0.00 -0.44 0.00 0.00 34.13 29.67 3hsf s GLU 19 CO 0.00 -2.97 0.00 1.17 0.95 0.00 0.00 175.26 174.42 3hsf n LYS 20 N 8.98 0.00 0.00 -4.83 3.00 -1.26 -4.99 118.16 119.06 3hsf n LYS 20 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 3hsf n LYS 20 Cb 0.53 -0.41 0.00 0.00 0.00 0.00 0.00 35.03 35.15 3hsf n LYS 20 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3hsf n PHE 21 N -0.78 0.00 -4.01 5.64 3.72 -0.53 -5.04 117.46 116.46 3hsf n PHE 21 Ca 0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 3hsf n PHE 21 Cb 0.07 0.16 -0.17 0.00 -0.94 0.00 0.00 39.48 38.60 3hsf n PHE 21 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 3hsf s ILE 22 N -1.43 1.06 0.23 4.37 2.07 -1.24 -4.28 121.20 121.99 3hsf s ILE 22 Ca 0.00 -0.33 0.02 0.00 -1.41 0.00 0.00 60.65 58.93 3hsf s ILE 22 Cb 0.00 -1.06 -0.05 0.00 0.13 0.00 0.00 42.46 41.48 3hsf s ILE 22 CO 0.00 0.37 0.05 -2.28 -1.91 0.00 0.00 174.94 171.17 3hsf s HIS 23 N 1.53 1.47 0.62 3.50 2.46 -1.24 -4.73 115.29 118.89 3hsf s HIS 23 Ca 0.02 -1.09 -0.15 0.00 0.47 0.00 0.00 55.06 54.31 3hsf s HIS 23 Cb -0.13 -0.86 -0.02 0.00 -0.13 0.00 0.00 32.58 31.44 3hsf s HIS 23 CO -0.06 -0.24 1.07 -1.58 -2.47 0.00 0.00 174.74 171.45 3hsf s TRP 24 N -3.66 2.93 0.04 3.88 0.52 -1.26 -2.39 118.94 119.01 3hsf s TRP 24 Ca 0.33 1.51 -0.22 0.00 0.02 0.00 0.00 56.10 57.73 3hsf s TRP 24 Cb 0.07 -3.02 -0.15 0.00 -1.15 0.00 0.00 33.47 29.23 3hsf s TRP 24 CO 0.10 -1.24 1.47 0.66 0.02 0.00 0.00 176.95 177.97 3hsf h SER 25 N 0.21 0.16 0.00 2.95 4.64 -1.77 -3.44 113.55 116.29 3hsf h SER 25 Ca -0.46 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.55 3hsf h SER 25 Cb 1.22 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3hsf h SER 25 CO 0.57 0.43 0.00 0.41 -0.87 0.00 0.00 176.83 177.36 3hsf n THR 26 N -4.83 0.00 -2.12 2.95 -1.04 -1.26 -4.99 114.28 103.00 3hsf n THR 26 Ca -0.06 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3hsf n THR 26 Cb 0.19 -0.22 -0.01 0.00 -1.82 0.00 0.00 70.33 68.48 3hsf n THR 26 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3hsf n SER 27 N -2.99 0.03 0.00 8.00 2.88 -1.26 -5.14 113.62 115.14 3hsf n SER 27 Ca 0.00 -1.73 0.00 0.00 -1.33 0.00 0.00 58.87 55.81 3hsf n SER 27 Cb 0.00 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 3hsf n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hsf n GLY 28 N 0.12 -0.65 2.57 0.46 0.00 -1.26 -4.99 105.19 101.44 3hsf n GLY 28 Ca -0.04 -2.19 -0.17 0.00 0.00 0.00 0.00 46.02 43.62 3hsf n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hsf n GLU 29 N 0.00 -1.50 0.00 1.61 4.71 -1.26 -4.75 120.64 119.45 3hsf n GLU 29 Ca 0.00 1.09 0.00 0.00 -0.01 0.00 0.00 57.16 58.24 3hsf n GLU 29 Cb 0.00 -5.46 0.00 0.00 -1.01 0.00 0.00 31.44 24.97 3hsf n GLU 29 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3hsf n SER 30 N -1.20 0.00 -4.54 1.62 3.41 -1.26 -4.02 113.62 107.63 3hsf n SER 30 Ca -0.17 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.17 3hsf n SER 30 Cb 0.63 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 3hsf n SER 30 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hsf s ILE 31 N -1.07 3.02 -0.03 -1.33 1.01 -0.98 -2.46 121.20 119.37 3hsf s ILE 31 Ca 0.00 -1.73 0.05 0.00 0.00 0.00 0.00 60.65 58.96 3hsf s ILE 31 Cb 0.00 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 3hsf s ILE 31 CO 0.00 -0.11 -0.17 -0.69 0.00 0.00 0.00 174.94 173.97 3hsf s VAL 32 N -1.70 1.36 -0.57 2.92 1.01 -1.00 -0.80 120.40 121.61 3hsf s VAL 32 Ca 0.24 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 3hsf s VAL 32 Cb -0.09 -1.15 0.15 0.00 0.00 0.00 0.00 36.38 35.29 3hsf s VAL 32 CO 0.14 0.39 0.36 -0.69 0.00 0.00 0.00 175.10 175.30 3hsf s VAL 33 N -0.18 3.23 0.11 2.92 1.01 -1.08 -3.73 120.40 122.69 3hsf s VAL 33 Ca 0.02 -3.07 -0.17 0.00 0.00 0.00 0.00 61.98 58.75 3hsf s VAL 33 Cb -0.09 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3hsf s VAL 33 CO 0.01 -0.84 1.62 1.55 0.00 0.00 0.00 175.10 177.43 3hsf h PRO 34 N 6.85 0.51 -3.13 2.72 0.13 -1.88 -3.37 132.00 133.83 3hsf h PRO 34 Ca -0.04 -0.12 -0.62 0.00 -0.87 0.00 0.00 66.00 64.35 3hsf h PRO 34 Cb 0.93 -0.07 -0.41 0.00 0.13 0.00 0.00 31.00 31.58 3hsf h PRO 34 CO 0.70 0.56 -0.64 -0.80 -0.23 0.00 0.00 178.00 177.59 3hsf s ASN 35 N -5.87 4.25 0.55 1.44 0.01 -1.26 -4.73 114.94 109.33 3hsf s ASN 35 Ca -0.13 -3.33 0.31 0.00 -0.71 0.00 0.00 52.86 49.00 3hsf s ASN 35 Cb 0.09 -1.48 1.59 0.00 0.41 0.00 0.00 41.25 41.86 3hsf s ASN 35 CO 0.75 -0.17 2.10 0.08 -1.51 0.00 0.00 177.10 178.35 3hsf h ARG 36 N 6.00 0.00 0.18 -0.60 0.11 -1.73 -2.37 114.38 115.97 3hsf h ARG 36 Ca 0.05 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 3hsf h ARG 36 Cb 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 3hsf h ARG 36 CO 0.65 0.08 -0.08 1.49 0.10 0.00 0.00 179.97 182.21 3hsf h GLU 37 N 0.00 -0.23 -0.19 0.08 4.81 -1.91 -2.04 114.58 115.10 3hsf h GLU 37 Ca -0.00 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3hsf h GLU 37 Cb 0.32 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3hsf h GLU 37 CO 0.01 -0.15 0.13 -0.09 -0.73 0.00 0.00 179.01 178.18 3hsf h ARG 38 N -0.31 0.07 0.00 1.92 9.65 -1.98 -2.42 114.38 121.31 3hsf h ARG 38 Ca -0.02 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3hsf h ARG 38 Cb 0.18 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 3hsf h ARG 38 CO 0.04 0.04 0.00 0.34 2.80 0.00 0.00 179.97 183.19 3hsf n PHE 39 N -4.49 0.00 -0.06 2.20 7.35 -0.89 -1.69 117.46 119.87 3hsf n PHE 39 Ca 0.01 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.56 3hsf n PHE 39 Cb 0.23 -0.30 -0.10 0.00 0.35 0.00 0.00 39.48 39.66 3hsf n PHE 39 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3hsf h VAL 40 N 0.00 0.00 -0.57 -2.13 2.07 -1.34 1.21 116.25 115.49 3hsf h VAL 40 Ca 0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 3hsf h VAL 40 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 3hsf h VAL 40 CO 0.00 0.00 0.44 1.56 0.02 0.00 0.00 177.57 179.59 3hsf h GLN 41 N -0.49 0.00 -0.07 1.57 1.08 -1.56 -2.36 115.11 113.28 3hsf h GLN 41 Ca 0.05 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.12 3hsf h GLN 41 Cb 0.62 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 27.83 3hsf h GLN 41 CO -0.49 0.00 -0.79 0.39 -0.95 0.00 0.00 178.83 176.99 3hsf n GLU 42 N -4.23 1.03 0.00 1.46 -0.58 -0.35 -4.83 120.64 113.14 3hsf n GLU 42 Ca 0.11 -2.81 0.00 0.00 -0.42 0.00 0.00 57.16 54.04 3hsf n GLU 42 Cb 0.67 -0.96 0.00 0.00 -0.57 0.00 0.00 31.44 30.58 3hsf n GLU 42 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hsf n VAL 43 N -0.36 0.00 -0.03 2.62 0.31 0.40 -4.82 118.33 116.45 3hsf n VAL 43 Ca 0.14 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.36 3hsf n VAL 43 Cb 0.91 -0.02 -0.05 0.00 -0.91 0.00 0.00 33.84 33.77 3hsf n VAL 43 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3hsf h LEU 44 N 0.00 0.19 0.00 7.52 5.85 -1.40 -1.95 115.31 125.52 3hsf h LEU 44 Ca 0.00 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3hsf h LEU 44 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3hsf h LEU 44 CO 0.00 0.29 0.00 -0.81 -0.34 0.00 0.00 178.44 177.58 3hsf n PRO 45 N -4.89 0.48 -0.69 5.25 -0.04 -1.25 -2.35 135.00 131.50 3hsf n PRO 45 Ca -0.05 0.04 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 3hsf n PRO 45 Cb 0.11 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.28 3hsf n PRO 45 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3hsf n LYS 46 N -1.20 2.89 0.00 0.54 5.02 -0.73 -3.82 118.16 120.86 3hsf n LYS 46 Ca 0.14 -2.06 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 3hsf n LYS 46 Cb 0.16 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 3hsf n LYS 46 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hsf n TYR 47 N 0.01 -0.97 -2.22 2.13 4.01 -1.17 -4.95 117.16 114.00 3hsf n TYR 47 Ca 0.27 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.69 3hsf n TYR 47 Cb 1.05 0.22 0.02 0.00 -0.31 0.00 0.00 39.34 40.32 3hsf n TYR 47 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3hsf n PHE 48 N -1.95 3.23 0.00 -0.72 3.72 -0.99 -5.03 117.46 115.71 3hsf n PHE 48 Ca 0.00 -2.79 0.00 0.00 -0.05 0.00 0.00 57.45 54.61 3hsf n PHE 48 Cb 0.00 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 3hsf n PHE 48 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 3hsf n LYS 49 N -0.52 0.00 -2.88 -1.08 2.85 -1.25 -1.74 118.16 113.54 3hsf n LYS 49 Ca 0.45 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.49 3hsf n LYS 49 Cb 0.51 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.87 3hsf n LYS 49 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3hsf n HIS 50 N 0.00 2.58 -2.61 5.58 8.25 -1.26 -4.25 115.22 123.51 3hsf n HIS 50 Ca 0.00 -3.63 -0.23 0.00 -0.26 0.00 0.00 57.72 53.60 3hsf n HIS 50 Cb 0.00 -0.38 0.10 0.00 1.12 0.00 0.00 29.99 30.83 3hsf n HIS 50 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3hsf s SER 51 N -3.18 4.46 0.34 0.41 1.04 -0.71 -5.07 113.70 110.99 3hsf s SER 51 Ca 0.44 -0.36 0.07 0.00 0.48 0.00 0.00 55.95 56.58 3hsf s SER 51 Cb 0.34 -0.07 -0.07 0.00 0.10 0.00 0.00 66.02 66.33 3hsf s SER 51 CO -0.11 -1.78 -0.02 0.20 0.98 0.00 0.00 173.24 172.51 3hsf s ASN 52 N -4.71 3.20 0.55 7.02 -0.87 -1.26 -4.73 114.94 114.14 3hsf s ASN 52 Ca 0.65 -1.28 0.25 0.00 -1.57 0.00 0.00 52.86 50.91 3hsf s ASN 52 Cb -0.06 -0.25 1.44 0.00 -0.02 0.00 0.00 41.25 42.36 3hsf s ASN 52 CO 0.44 -0.40 2.03 2.19 -2.57 0.00 0.00 177.10 178.79 3hsf h PHE 53 N 2.04 0.00 -0.50 2.20 -5.15 -1.99 -0.22 116.94 113.31 3hsf h PHE 53 Ca -0.42 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.27 3hsf h PHE 53 Cb 1.24 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.39 3hsf h PHE 53 CO 0.69 0.00 0.01 0.00 -2.00 0.00 0.00 178.31 177.01 3hsf h ALA 54 N 1.76 0.68 -0.50 12.09 0.00 -2.00 -2.59 119.26 128.69 3hsf h ALA 54 Ca 0.18 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3hsf h ALA 54 Cb 0.77 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hsf h ALA 54 CO -0.00 0.48 -0.04 0.77 0.00 0.00 0.00 179.25 180.47 3hsf h SER 55 N 0.75 0.85 -0.67 0.00 0.02 -1.44 -2.39 113.55 110.67 3hsf h SER 55 Ca 0.14 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3hsf h SER 55 Cb 0.51 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 3hsf h SER 55 CO 0.02 0.94 0.40 0.15 -1.14 0.00 0.00 176.83 177.20 3hsf h PHE 56 N 0.80 0.88 -0.14 3.45 3.04 -1.24 -2.06 116.94 121.67 3hsf h PHE 56 Ca 0.15 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 62.01 3hsf h PHE 56 Cb 0.53 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 3hsf h PHE 56 CO 0.03 0.60 -0.29 0.28 -2.02 0.00 0.00 178.31 176.91 3hsf h VAL 57 N 0.91 1.26 -0.28 1.41 2.07 -1.26 -2.73 116.25 117.63 3hsf h VAL 57 Ca 0.24 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 3hsf h VAL 57 Cb -0.02 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3hsf h VAL 57 CO -0.04 0.38 0.15 0.03 0.02 0.00 0.00 177.57 178.11 3hsf h ARG 58 N 0.24 0.39 -0.61 1.57 2.47 -0.87 -2.34 114.38 115.24 3hsf h ARG 58 Ca 0.03 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 3hsf h ARG 58 Cb 0.64 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 3hsf h ARG 58 CO 0.05 0.34 0.24 1.96 0.56 0.00 0.00 179.97 183.12 3hsf h GLN 59 N 0.34 0.90 -0.51 0.04 7.50 -1.32 -2.38 115.11 119.69 3hsf h GLN 59 Ca 0.10 -0.16 0.06 0.00 0.50 0.00 0.00 58.65 59.15 3hsf h GLN 59 Cb 0.06 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 27.42 3hsf h GLN 59 CO -0.02 0.77 0.34 -0.07 -1.50 0.00 0.00 178.83 178.35 3hsf h LEU 60 N 0.84 0.39 -0.00 1.46 3.38 -1.22 -2.13 115.31 118.03 3hsf h LEU 60 Ca 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3hsf h LEU 60 Cb 0.20 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hsf h LEU 60 CO -0.02 0.25 -0.12 0.78 0.09 0.00 0.00 178.44 179.42 3hsf h ASN 61 N 0.44 0.12 0.40 -0.43 4.21 -0.94 0.85 115.58 120.22 3hsf h ASN 61 Ca 0.22 -0.76 0.00 0.00 1.21 0.00 0.00 56.30 56.97 3hsf h ASN 61 Cb 0.31 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 3hsf h ASN 61 CO -0.06 0.86 0.00 1.15 -1.29 0.00 0.00 177.43 178.09 3hsf n MET 62 N -4.62 0.05 -0.06 0.81 0.00 -0.96 -2.99 117.12 109.36 3hsf n MET 62 Ca -0.09 0.24 -0.06 0.00 0.00 0.00 0.00 57.70 57.79 3hsf n MET 62 Cb 0.43 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 32.05 3hsf n MET 62 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3hsf n TYR 63 N -1.44 0.00 0.00 3.17 4.01 -0.82 -5.02 117.16 117.05 3hsf n TYR 63 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 3hsf n TYR 63 Cb 0.14 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 38.53 3hsf n TYR 63 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hsf n GLY 64 N 2.17 3.42 3.43 2.72 0.00 -0.78 -5.10 105.19 111.04 3hsf n GLY 64 Ca -0.21 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 3hsf n GLY 64 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hsf s TRP 65 N 0.00 0.45 0.16 1.61 0.52 0.29 -4.57 118.94 117.39 3hsf s TRP 65 Ca 0.00 0.82 -0.20 0.00 0.02 0.00 0.00 56.10 56.74 3hsf s TRP 65 Cb 0.00 -3.06 0.05 0.00 -1.15 0.00 0.00 33.47 29.31 3hsf s TRP 65 CO 0.00 -4.33 0.53 -1.01 0.02 0.00 0.00 176.95 172.16 3hsf s HIS 66 N -2.47 -0.34 0.00 -1.98 3.76 -0.72 -3.15 115.29 110.39 3hsf s HIS 66 Ca 0.69 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 3hsf s HIS 66 Cb -0.18 0.44 0.00 0.00 1.11 0.00 0.00 32.58 33.96 3hsf s HIS 66 CO 0.60 -0.84 0.00 1.17 -0.85 0.00 0.00 174.74 174.83 3hsf n LYS 67 N -0.33 1.28 -3.23 1.40 4.81 -1.26 -2.55 118.16 118.28 3hsf n LYS 67 Ca -0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.28 3hsf n LYS 67 Cb 0.64 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.67 3hsf n LYS 67 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3hsf s VAL 68 N 0.30 -0.90 -0.44 3.15 0.11 -1.26 -4.28 120.40 117.08 3hsf s VAL 68 Ca 0.00 -0.14 0.10 0.00 -2.93 0.00 0.00 61.98 59.01 3hsf s VAL 68 Cb 0.00 -0.24 0.36 0.00 -1.53 0.00 0.00 36.38 34.97 3hsf s VAL 68 CO 0.00 -0.09 0.84 0.00 -3.33 0.00 0.00 175.10 172.52 3hsf n GLN 69 N 4.54 1.86 -4.31 1.54 6.02 -1.26 -4.93 117.38 120.83 3hsf n GLN 69 Ca 0.10 -3.93 -0.21 0.00 -0.01 0.00 0.00 57.00 52.96 3hsf n GLN 69 Cb 0.55 -1.88 -0.11 0.00 1.02 0.00 0.00 30.24 29.82 3hsf n GLN 69 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hsf s ASP 70 N -2.88 2.53 -0.51 1.08 2.15 -1.26 -5.10 116.67 112.68 3hsf s ASP 70 Ca 0.43 -0.86 0.03 0.00 0.43 0.00 0.00 52.55 52.58 3hsf s ASP 70 Cb 0.34 -0.14 0.15 0.00 -0.30 0.00 0.00 42.92 42.97 3hsf s ASP 70 CO -0.10 -0.07 0.34 -0.69 -0.17 0.00 0.00 175.17 174.49 3hsf s VAL 71 N -2.12 1.54 0.00 1.11 1.01 -1.26 -5.00 120.40 115.68 3hsf s VAL 71 Ca 0.15 -3.09 0.00 0.00 0.00 0.00 0.00 61.98 59.04 3hsf s VAL 71 Cb -0.05 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.28 3hsf s VAL 71 CO 0.06 -1.02 0.00 0.29 0.00 0.00 0.00 175.10 174.42 3hsf n LYS 72 N 2.89 0.00 0.00 2.72 5.02 -1.26 -4.92 118.16 122.61 3hsf n LYS 72 Ca 0.18 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3hsf n LYS 72 Cb 0.38 -0.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 3hsf n LYS 72 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hsf n SER 73 N -0.72 0.00 -2.84 4.39 7.64 -1.26 -5.05 113.62 115.78 3hsf n SER 73 Ca 0.00 0.01 -0.02 0.00 1.01 0.00 0.00 58.87 59.87 3hsf n SER 73 Cb 0.00 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.17 3hsf n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hsf n GLY 74 N 2.47 -3.08 0.24 0.23 0.00 -1.26 -4.84 105.19 98.96 3hsf n GLY 74 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.72 3hsf n GLY 74 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hsf h SER 75 N 3.78 0.33 -0.03 1.61 4.64 -2.03 -3.33 113.55 118.53 3hsf h SER 75 Ca -0.16 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 60.91 3hsf h SER 75 Cb 0.57 -0.09 -0.26 0.00 -0.31 0.00 0.00 62.40 62.31 3hsf h SER 75 CO 0.04 0.51 -0.68 1.15 -0.87 0.00 0.00 176.83 176.98 3hsf n MET 76 N -4.22 0.18 0.00 4.77 0.00 -1.26 -5.12 117.12 111.47 3hsf n MET 76 Ca -0.00 -1.61 0.00 0.00 0.00 0.00 0.00 57.70 56.09 3hsf n MET 76 Cb 0.31 0.15 0.00 0.00 0.00 0.00 0.00 33.22 33.67 3hsf n MET 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 3hsf n LEU 77 N 0.10 0.00 -3.28 3.17 7.94 -1.25 -4.57 117.00 119.11 3hsf n LEU 77 Ca -0.10 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.63 3hsf n LEU 77 Cb 0.92 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.95 3hsf n LEU 77 CO -0.08 -0.39 0.12 -0.24 -1.11 0.00 0.00 177.39 175.68 3hsf n SER 78 N -2.10 -2.52 -1.20 1.96 2.88 -1.26 -4.91 113.62 106.47 3hsf n SER 78 Ca 0.00 -0.57 -0.02 0.00 -1.33 0.00 0.00 58.87 56.95 3hsf n SER 78 Cb 0.00 -4.80 -0.03 0.00 -0.75 0.00 0.00 64.21 58.63 3hsf n SER 78 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3hsf n ASN 79 N -2.95 -0.18 -3.57 -3.46 5.15 -1.26 -5.11 115.26 103.88 3hsf n ASN 79 Ca -0.24 -2.00 -0.16 0.00 -0.60 0.00 0.00 54.58 51.59 3hsf n ASN 79 Cb 0.65 0.05 -0.06 0.00 -0.53 0.00 0.00 39.78 39.88 3hsf n ASN 79 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hsf s ASN 80 N -1.41 -0.68 -0.17 1.20 4.22 -1.26 -5.06 114.94 111.79 3hsf s ASN 80 Ca 0.14 1.02 0.22 0.00 -2.14 0.00 0.00 52.86 52.11 3hsf s ASN 80 Cb 0.16 0.94 0.45 0.00 1.28 0.00 0.00 41.25 44.09 3hsf s ASN 80 CO -0.07 -0.42 1.16 -0.90 -2.04 0.00 0.00 177.10 174.82 3hsf n ASP 81 N 1.72 1.05 -1.64 3.54 5.68 -1.26 -4.85 116.55 120.79 3hsf n ASP 81 Ca -0.16 -2.03 -0.01 0.00 -0.50 0.00 0.00 54.79 52.09 3hsf n ASP 81 Cb 0.56 -0.30 0.01 0.00 -1.14 0.00 0.00 41.12 40.24 3hsf n ASP 81 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3hsf n SER 82 N -0.27 0.06 -2.92 -1.12 3.41 -1.26 -5.03 113.62 106.49 3hsf n SER 82 Ca 0.03 -2.03 0.04 0.00 -0.26 0.00 0.00 58.87 56.65 3hsf n SER 82 Cb 0.92 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 3hsf n SER 82 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3hsf s ARG 83 N -0.49 0.09 0.44 4.33 3.52 -1.26 -4.19 118.95 121.40 3hsf s ARG 83 Ca 0.18 0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.82 3hsf s ARG 83 Cb 0.25 0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 33.64 3hsf s ARG 83 CO -0.09 -0.14 0.07 1.67 -0.81 0.00 0.00 175.30 176.00 3hsf s TRP 84 N 2.45 1.86 -0.26 5.12 1.48 -1.26 -4.96 118.94 123.38 3hsf s TRP 84 Ca 0.22 -1.11 0.01 0.00 -1.06 0.00 0.00 56.10 54.17 3hsf s TRP 84 Cb 0.02 -1.37 0.07 0.00 -1.16 0.00 0.00 33.47 31.03 3hsf s TRP 84 CO -0.19 -0.04 -0.03 -2.00 -4.06 0.00 0.00 176.95 170.63 3hsf s GLU 85 N -3.78 1.59 0.32 3.25 2.12 -1.26 -2.65 118.70 118.28 3hsf s GLU 85 Ca 0.18 -1.16 -0.28 0.00 0.36 0.00 0.00 54.97 54.07 3hsf s GLU 85 Cb 0.03 -2.65 -0.13 0.00 0.26 0.00 0.00 34.13 31.64 3hsf s GLU 85 CO 0.10 -0.68 1.23 1.19 -0.54 0.00 0.00 175.26 176.56 3hsf n PHE 86 N 4.60 2.01 -4.17 5.30 3.01 0.02 -4.75 117.46 123.48 3hsf n PHE 86 Ca -0.09 0.58 -0.27 0.00 1.01 0.00 0.00 57.45 58.68 3hsf n PHE 86 Cb 0.43 -2.38 -0.07 0.00 -0.01 0.00 0.00 39.48 37.45 3hsf n PHE 86 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3hsf s GLU 87 N -1.65 2.52 0.27 -1.08 2.02 -1.06 -2.33 118.70 117.40 3hsf s GLU 87 Ca 0.58 -1.00 0.23 0.00 0.02 0.00 0.00 54.97 54.79 3hsf s GLU 87 Cb -0.61 -2.45 0.24 0.00 0.10 0.00 0.00 34.13 31.41 3hsf s GLU 87 CO 0.60 0.48 1.34 -0.97 0.02 0.00 0.00 175.26 176.74 3hsf h ASN 88 N 2.81 0.00 -0.51 -0.19 -1.24 -1.83 -1.90 115.58 112.72 3hsf h ASN 88 Ca -0.47 -0.03 0.15 0.00 0.71 0.00 0.00 56.30 56.66 3hsf h ASN 88 Cb 1.19 0.00 -0.20 0.00 0.73 0.00 0.00 38.32 40.05 3hsf h ASN 88 CO 0.59 0.02 -0.14 -1.83 -1.29 0.00 0.00 177.43 174.78 3hsf s GLU 89 N -3.26 0.29 -0.11 6.67 -1.05 -1.26 -4.21 118.70 115.76 3hsf s GLU 89 Ca 0.04 0.27 -0.10 0.00 -0.15 0.00 0.00 54.97 55.04 3hsf s GLU 89 Cb 0.09 0.13 -0.09 0.00 -0.44 0.00 0.00 34.13 33.82 3hsf s GLU 89 CO 0.72 -0.53 0.25 -0.09 0.95 0.00 0.00 175.26 176.56 3hsf h ARG 90 N 7.49 0.00 -4.88 -4.83 2.43 -1.87 -3.49 114.38 109.23 3hsf h ARG 90 Ca -0.06 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.67 3hsf h ARG 90 Cb 1.18 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.59 3hsf h ARG 90 CO -0.01 0.33 -0.53 -1.01 -1.51 0.00 0.00 179.97 177.24 3hsf s HIS 91 N -1.79 1.64 0.00 2.20 3.76 -1.26 -5.22 115.29 114.62 3hsf s HIS 91 Ca -0.07 -1.48 0.00 0.00 -0.15 0.00 0.00 55.06 53.37 3hsf s HIS 91 Cb -0.01 -0.81 0.00 0.00 1.11 0.00 0.00 32.58 32.87 3hsf s HIS 91 CO 0.23 -0.64 0.00 0.00 -0.85 0.00 0.00 174.74 173.48