#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsf s ARG 2 N 0.00 2.15 0.54 0.00 0.52 -1.26 -5.12 118.95 115.79 3hsf s ARG 2 Ca 0.00 -1.38 -0.15 0.00 -0.52 0.00 0.00 55.73 53.68 3hsf s ARG 2 Cb 0.00 -2.13 -0.07 0.00 0.52 0.00 0.00 34.95 33.27 3hsf s ARG 2 CO 0.00 0.39 1.00 -1.25 0.02 0.00 0.00 175.30 175.46 3hsf s PRO 3 N -3.31 3.85 0.52 3.54 0.04 -1.26 -4.94 135.00 133.44 3hsf s PRO 3 Ca 0.29 0.91 0.25 0.00 0.04 0.00 0.00 61.00 62.48 3hsf s PRO 3 Cb -0.07 -2.12 1.44 0.00 0.04 0.00 0.00 34.50 33.79 3hsf s PRO 3 CO 0.18 -0.36 2.10 0.00 0.04 0.00 0.00 177.00 178.96 3hsf h ALA 4 N 0.59 1.46 0.58 8.56 0.00 -1.99 -2.62 119.26 125.84 3hsf h ALA 4 Ca -0.46 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 3hsf h ALA 4 Cb 1.19 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.97 3hsf h ALA 4 CO 0.61 0.12 -0.28 0.35 0.00 0.00 0.00 179.25 180.06 3hsf h PHE 5 N 0.00 -0.72 -0.03 0.00 3.57 -2.00 -1.81 116.94 115.95 3hsf h PHE 5 Ca -0.00 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.49 3hsf h PHE 5 Cb 0.24 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 3hsf h PHE 5 CO 0.00 -0.39 0.02 0.28 -2.23 0.00 0.00 178.31 175.99 3hsf h VAL 6 N -0.97 0.92 -0.36 1.41 2.07 -1.92 -0.62 116.25 116.79 3hsf h VAL 6 Ca -0.08 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 3hsf h VAL 6 Cb 0.66 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3hsf h VAL 6 CO 0.13 0.00 -0.17 0.78 0.02 0.00 0.00 177.57 178.33 3hsf h ASN 7 N 0.00 0.67 0.69 0.57 -0.26 -1.18 -2.49 115.58 113.59 3hsf h ASN 7 Ca 0.02 -0.21 -0.11 0.00 -0.56 0.00 0.00 56.30 55.43 3hsf h ASN 7 Cb 0.06 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 3hsf h ASN 7 CO -0.00 0.85 -0.53 0.11 -1.06 0.00 0.00 177.43 176.80 3hsf h LYS 8 N 0.60 0.00 -0.54 0.81 1.57 -0.26 -3.11 116.57 115.65 3hsf h LYS 8 Ca 0.10 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 3hsf h LYS 8 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3hsf h LYS 8 CO 0.04 0.53 0.01 1.25 -0.57 0.00 0.00 179.45 180.71 3hsf h LEU 9 N 0.00 0.89 -0.64 2.94 5.85 -0.96 -2.18 115.31 121.20 3hsf h LEU 9 Ca -0.01 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3hsf h LEU 9 Cb 1.02 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.81 3hsf h LEU 9 CO 0.07 0.94 0.00 0.79 -0.34 0.00 0.00 178.44 179.90 3hsf n TRP 10 N -4.20 0.48 -0.03 1.25 5.03 -1.14 -2.16 117.44 116.67 3hsf n TRP 10 Ca 0.03 0.21 0.04 0.00 3.03 0.00 0.00 57.50 60.81 3hsf n TRP 10 Cb 0.32 -0.85 -0.15 0.00 -1.03 0.00 0.00 31.31 29.60 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 -1.96 0.62 -0.01 -0.99 2.88 -0.85 -4.05 113.62 109.26 3hsf n SER 11 Ca 0.01 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.47 3hsf n SER 11 Cb 0.12 1.59 -0.13 0.00 -0.75 0.00 0.00 64.21 65.04 3hsf n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hsf h MET 12 N 0.00 0.00 -0.00 -1.46 -0.00 -1.12 -3.33 114.93 109.02 3hsf h MET 12 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.55 3hsf h MET 12 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 3hsf h MET 12 CO 0.01 0.54 -0.23 0.28 -0.00 0.00 0.00 176.91 177.51 3hsf n VAL 13 N -3.07 0.00 0.33 -0.10 0.31 -0.92 -3.78 118.33 111.10 3hsf n VAL 13 Ca -0.14 -0.06 0.21 0.00 -0.01 0.00 0.00 64.34 64.34 3hsf n VAL 13 Cb 1.03 0.09 1.16 0.00 -0.91 0.00 0.00 33.84 35.20 3hsf n VAL 13 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3hsf h ASN 14 N 0.57 0.00 -3.02 4.52 -0.26 -1.70 -3.44 115.58 112.25 3hsf h ASN 14 Ca 0.00 0.00 -0.35 0.00 -0.56 0.00 0.00 56.30 55.39 3hsf h ASN 14 Cb 0.45 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.72 3hsf h ASN 14 CO 0.00 0.00 -0.48 0.47 -1.06 0.00 0.00 177.43 176.36 3hsf n ASP 15 N -3.24 -5.31 -0.05 5.81 8.00 -1.25 -4.92 116.55 115.59 3hsf n ASP 15 Ca -0.03 -0.10 -0.04 0.00 0.71 0.00 0.00 54.79 55.34 3hsf n ASP 15 Cb 0.07 -4.30 -0.01 0.00 -0.02 0.00 0.00 41.12 36.86 3hsf n ASP 15 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3hsf n LYS 16 N -3.01 0.33 0.09 -1.24 4.81 -1.26 -3.72 118.16 114.15 3hsf n LYS 16 Ca -0.17 0.41 -0.18 0.00 -0.87 0.00 0.00 58.31 57.50 3hsf n LYS 16 Cb 0.64 -1.39 -0.14 0.00 0.02 0.00 0.00 35.03 34.15 3hsf n LYS 16 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3hsf h SER 17 N -0.72 0.47 -1.39 3.14 0.87 -1.91 -3.31 113.55 110.71 3hsf h SER 17 Ca 0.00 -0.59 -0.71 0.00 -1.23 0.00 0.00 61.79 59.26 3hsf h SER 17 Cb 0.41 -0.15 -0.29 0.00 -0.44 0.00 0.00 62.40 61.93 3hsf h SER 17 CO 0.00 1.48 0.91 -0.46 -0.53 0.00 0.00 176.83 178.23 3hsf n ASN 18 N -3.52 7.58 -4.57 6.23 0.23 -1.26 -4.92 115.26 115.03 3hsf n ASN 18 Ca -0.15 -3.81 -0.28 0.00 -0.53 0.00 0.00 54.58 49.81 3hsf n ASN 18 Cb 1.05 -1.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.70 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 -3.92 2.58 0.00 -3.83 4.04 -1.24 -2.64 118.70 113.69 3hsf s GLU 19 Ca 0.60 -0.69 0.00 0.00 0.04 0.00 0.00 54.97 54.92 3hsf s GLU 19 Cb 0.48 -5.15 0.00 0.00 0.02 0.00 0.00 34.13 29.48 3hsf s GLU 19 CO -0.17 -3.57 0.00 1.63 -1.84 0.00 0.00 175.26 171.32 3hsf n LYS 20 N 8.62 0.00 -0.00 -4.83 4.76 -1.26 -5.04 118.16 120.40 3hsf n LYS 20 Ca 0.42 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.86 3hsf n LYS 20 Cb 0.47 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.66 3hsf n LYS 20 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3hsf n PHE 21 N 0.00 0.02 -3.02 2.13 3.72 -1.08 -4.98 117.46 114.24 3hsf n PHE 21 Ca 0.00 0.01 -0.26 0.00 -0.05 0.00 0.00 57.45 57.15 3hsf n PHE 21 Cb 0.00 -0.10 -0.01 0.00 -0.94 0.00 0.00 39.48 38.43 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 -1.09 5.01 0.02 4.37 2.07 -1.26 -4.44 121.20 125.87 3hsf s ILE 22 Ca -0.01 -0.14 -0.29 0.00 -1.41 0.00 0.00 60.65 58.80 3hsf s ILE 22 Cb 0.00 -3.86 0.10 0.00 0.13 0.00 0.00 42.46 38.83 3hsf s ILE 22 CO 0.02 -0.70 0.96 -2.28 -1.91 0.00 0.00 174.94 171.03 3hsf s HIS 23 N -2.52 -0.26 0.72 3.50 2.46 -1.23 -4.76 115.29 113.20 3hsf s HIS 23 Ca 0.44 0.09 -0.06 0.00 0.47 0.00 0.00 55.06 56.00 3hsf s HIS 23 Cb -0.10 0.56 0.08 0.00 -0.13 0.00 0.00 32.58 33.00 3hsf s HIS 23 CO 0.40 -0.57 1.02 -1.58 -2.47 0.00 0.00 174.74 171.55 3hsf s TRP 24 N -3.06 2.55 -0.20 3.88 0.52 -1.26 -2.00 118.94 119.37 3hsf s TRP 24 Ca 0.08 0.26 -0.20 0.00 0.02 0.00 0.00 56.10 56.25 3hsf s TRP 24 Cb -0.01 -3.22 -0.17 0.00 -1.15 0.00 0.00 33.47 28.92 3hsf s TRP 24 CO -0.06 -1.54 0.18 1.03 0.02 0.00 0.00 176.95 176.59 3hsf h SER 25 N -0.63 0.00 -0.50 2.95 0.87 -1.27 -3.44 113.55 111.52 3hsf h SER 25 Ca -0.43 -0.46 -0.28 0.00 -1.23 0.00 0.00 61.79 59.40 3hsf h SER 25 Cb 1.30 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.95 3hsf h SER 25 CO 0.54 1.39 -0.85 0.41 -0.53 0.00 0.00 176.83 177.79 3hsf n THR 26 N -4.46 0.67 -2.99 2.23 -1.04 -1.26 -5.01 114.28 102.42 3hsf n THR 26 Ca -0.29 -2.37 -0.02 0.00 -2.04 0.00 0.00 64.05 59.34 3hsf n THR 26 Cb 0.62 0.93 0.01 0.00 -1.82 0.00 0.00 70.33 70.07 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 -0.50 -7.33 -0.48 8.00 2.88 -1.26 -4.72 113.62 110.21 3hsf n SER 27 Ca 0.02 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 3hsf n SER 27 Cb 0.83 -5.05 0.00 0.00 -0.75 0.00 0.00 64.21 59.24 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 -1.67 -0.43 0.65 0.46 0.00 -1.26 -5.05 105.19 97.90 3hsf n GLY 28 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.08 0.00 -3.52 1.61 -0.58 -1.26 -5.02 120.64 111.79 3hsf n GLU 29 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 3hsf n GLU 29 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 3hsf n GLU 29 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3hsf s SER 30 N -2.00 -0.44 0.43 1.62 1.04 -1.26 -4.76 113.70 108.32 3hsf s SER 30 Ca 0.00 0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.66 3hsf s SER 30 Cb 0.00 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 3hsf s SER 30 CO 0.00 -0.56 0.69 -0.63 0.98 0.00 0.00 173.24 173.72 3hsf s ILE 31 N -2.17 4.99 -0.01 -1.02 1.01 -0.79 -0.78 121.20 122.43 3hsf s ILE 31 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3hsf s ILE 31 Cb -0.01 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.61 3hsf s ILE 31 CO -0.03 -0.73 0.01 -0.69 0.00 0.00 0.00 174.94 173.50 3hsf s VAL 32 N -2.57 0.03 -0.46 2.92 1.01 -0.85 -2.03 120.40 118.45 3hsf s VAL 32 Ca 0.44 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.51 3hsf s VAL 32 Cb -0.10 -0.08 0.13 0.00 0.00 0.00 0.00 36.38 36.33 3hsf s VAL 32 CO 0.41 0.05 0.23 -0.69 0.00 0.00 0.00 175.10 175.10 3hsf s VAL 33 N 0.41 1.94 0.27 2.92 1.01 -1.02 -3.52 120.40 122.41 3hsf s VAL 33 Ca -0.04 -2.83 0.08 0.00 0.00 0.00 0.00 61.98 59.20 3hsf s VAL 33 Cb -0.05 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3hsf s VAL 33 CO -0.01 -0.83 1.61 1.55 0.00 0.00 0.00 175.10 177.42 3hsf h PRO 34 N 6.73 0.09 -2.84 2.72 0.13 -1.84 -3.32 132.00 133.68 3hsf h PRO 34 Ca -0.05 -0.06 -0.60 0.00 -0.87 0.00 0.00 66.00 64.42 3hsf h PRO 34 Cb 0.92 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.66 3hsf h PRO 34 CO 0.57 0.66 -0.77 -0.80 -0.23 0.00 0.00 178.00 177.43 3hsf s ASN 35 N -6.87 3.32 0.20 1.44 0.02 -1.26 -4.64 114.94 107.14 3hsf s ASN 35 Ca -0.02 -2.80 0.17 0.00 -1.02 0.00 0.00 52.86 49.19 3hsf s ASN 35 Cb 0.13 -0.92 -0.00 0.00 0.02 0.00 0.00 41.25 40.47 3hsf s ASN 35 CO 0.77 -0.23 1.17 -0.09 0.02 0.00 0.00 177.10 178.74 3hsf h ARG 36 N 6.41 0.00 0.00 -0.60 2.43 -1.80 -2.31 114.38 118.51 3hsf h ARG 36 Ca 0.07 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3hsf h ARG 36 Cb 0.91 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 3hsf h ARG 36 CO 0.46 0.32 -0.26 1.49 -1.51 0.00 0.00 179.97 180.48 3hsf h GLU 37 N 0.00 0.00 0.01 0.20 4.81 -1.91 -2.45 114.58 115.23 3hsf h GLU 37 Ca -0.06 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.78 3hsf h GLU 37 Cb 1.39 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.70 3hsf h GLU 37 CO 0.05 0.26 -2.43 -2.13 -0.73 0.00 0.00 179.01 174.02 3hsf n ARG 38 N -4.05 0.66 0.01 1.92 0.63 -1.24 -4.15 116.66 110.44 3hsf n ARG 38 Ca -0.02 0.15 -0.10 0.00 -0.92 0.00 0.00 57.85 56.97 3hsf n ARG 38 Cb 0.32 -1.54 -0.03 0.00 0.45 0.00 0.00 32.46 31.66 3hsf n ARG 38 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 3hsf h PHE 39 N 0.01 -0.39 0.45 -0.14 3.04 -1.40 -0.08 116.94 118.42 3hsf h PHE 39 Ca -0.56 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.39 3hsf h PHE 39 Cb 1.93 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 40.61 3hsf h PHE 39 CO 0.03 -0.22 -0.44 0.28 -2.02 0.00 0.00 178.31 175.94 3hsf h VAL 40 N -0.20 0.00 0.00 1.41 2.07 -1.66 0.54 116.25 118.41 3hsf h VAL 40 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3hsf h VAL 40 Cb 0.32 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3hsf h VAL 40 CO -0.22 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.37 3hsf n GLN 41 N -5.08 0.02 0.00 1.57 10.64 -1.15 -1.65 117.38 121.73 3hsf n GLN 41 Ca -0.11 0.46 0.00 0.00 -1.83 0.00 0.00 57.00 55.52 3hsf n GLN 41 Cb 0.40 -1.56 0.00 0.00 -0.86 0.00 0.00 30.24 28.22 3hsf n GLN 41 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3hsf n GLU 42 N -1.60 1.80 0.00 2.61 -0.58 -0.06 -4.89 120.64 117.92 3hsf n GLU 42 Ca 0.01 -1.15 0.00 0.00 -0.42 0.00 0.00 57.16 55.60 3hsf n GLU 42 Cb 0.05 -0.93 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 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 -0.33 0.00 -0.02 2.62 0.31 0.18 -4.86 118.33 116.23 3hsf n VAL 43 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3hsf n VAL 43 Cb 0.23 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.12 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 -0.23 -1.18 7.52 5.85 -1.30 -2.44 115.31 123.54 3hsf h LEU 44 Ca 0.00 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 3hsf h LEU 44 Cb 0.00 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3hsf h LEU 44 CO 0.00 -0.09 -0.41 1.55 -0.34 0.00 0.00 178.44 179.15 3hsf h PRO 45 N -0.04 0.00 0.00 5.25 0.13 -1.84 -1.85 132.00 133.64 3hsf h PRO 45 Ca 0.09 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3hsf h PRO 45 Cb 0.17 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.30 3hsf h PRO 45 CO -0.19 0.41 0.00 -0.22 -0.23 0.00 0.00 178.00 177.77 3hsf h LYS 46 N 0.00 0.00 0.00 0.86 3.64 -1.77 0.45 116.57 119.75 3hsf h LYS 46 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hsf h LYS 46 Cb 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3hsf h LYS 46 CO 0.05 0.00 -0.13 0.66 -2.27 0.00 0.00 179.45 177.76 3hsf n TYR 47 N -2.81 0.21 -0.04 1.91 4.02 -0.72 -4.74 117.16 114.98 3hsf n TYR 47 Ca -0.01 0.09 -0.03 0.00 -0.01 0.00 0.00 57.90 57.94 3hsf n TYR 47 Cb 0.13 -0.35 -0.14 0.00 -0.02 0.00 0.00 39.34 38.95 3hsf n TYR 47 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3hsf n PHE 48 N -2.84 0.29 0.00 -0.72 3.72 -1.05 -5.00 117.46 111.86 3hsf n PHE 48 Ca -0.02 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3hsf n PHE 48 Cb 0.07 -0.92 0.00 0.00 -0.94 0.00 0.00 39.48 37.69 3hsf n PHE 48 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3hsf n LYS 49 N -2.69 0.00 -2.81 -1.08 5.02 0.16 -4.63 118.16 112.13 3hsf n LYS 49 Ca -0.20 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.71 3hsf n LYS 49 Cb 0.95 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.96 3hsf n LYS 49 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hsf n HIS 50 N 0.00 2.94 -4.34 2.13 8.25 -1.26 -4.70 115.22 118.23 3hsf n HIS 50 Ca 0.00 -2.91 -0.19 0.00 -0.26 0.00 0.00 57.72 54.35 3hsf n HIS 50 Cb 0.00 -1.04 -0.09 0.00 1.12 0.00 0.00 29.99 29.98 3hsf n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hsf s SER 51 N -1.89 1.62 0.06 0.41 0.15 -1.26 -5.16 113.70 107.63 3hsf s SER 51 Ca 0.39 -1.57 -0.01 0.00 0.70 0.00 0.00 55.95 55.46 3hsf s SER 51 Cb 0.18 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 3hsf s SER 51 CO -0.08 -0.90 -0.01 0.20 1.20 0.00 0.00 173.24 173.66 3hsf s ASN 52 N -3.39 0.45 0.40 5.45 0.01 -1.26 -4.87 114.94 111.73 3hsf s ASN 52 Ca 0.35 -1.02 0.14 0.00 -0.71 0.00 0.00 52.86 51.63 3hsf s ASN 52 Cb 0.05 0.22 0.99 0.00 0.41 0.00 0.00 41.25 42.92 3hsf s ASN 52 CO 0.18 -0.62 1.87 2.19 -1.51 0.00 0.00 177.10 179.20 3hsf h PHE 53 N 3.10 0.63 -0.55 2.20 -5.15 -2.00 -0.54 116.94 114.63 3hsf h PHE 53 Ca -0.34 0.02 -0.02 0.00 -0.20 0.00 0.00 57.97 57.43 3hsf h PHE 53 Cb 1.15 -0.19 -0.03 0.00 0.22 0.00 0.00 35.95 37.10 3hsf h PHE 53 CO 0.51 0.20 0.26 0.00 -2.00 0.00 0.00 178.31 177.28 3hsf h ALA 54 N 1.62 0.71 -0.81 12.09 0.00 -1.99 -2.31 119.26 128.56 3hsf h ALA 54 Ca 0.45 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.23 3hsf h ALA 54 Cb 0.96 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3hsf h ALA 54 CO -0.18 0.28 0.53 0.77 0.00 0.00 0.00 179.25 180.65 3hsf h SER 55 N 0.74 0.94 0.15 0.00 0.02 -1.50 -1.73 113.55 112.17 3hsf h SER 55 Ca 0.19 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3hsf h SER 55 Cb 0.13 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 3hsf h SER 55 CO -0.02 0.69 -0.10 0.15 -1.14 0.00 0.00 176.83 176.41 3hsf h PHE 56 N 1.10 -0.25 0.00 3.45 3.57 -1.17 -1.39 116.94 122.26 3hsf h PHE 56 Ca 0.30 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 3hsf h PHE 56 Cb -0.12 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 3hsf h PHE 56 CO -0.01 -0.15 -0.01 0.28 -2.23 0.00 0.00 178.31 176.18 3hsf h VAL 57 N -0.24 0.25 -0.14 1.41 2.07 -1.14 -2.13 116.25 116.34 3hsf h VAL 57 Ca -0.01 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 3hsf h VAL 57 Cb 0.21 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3hsf h VAL 57 CO 0.01 0.01 -0.28 -0.09 0.02 0.00 0.00 177.57 177.24 3hsf h ARG 58 N 0.00 0.44 -0.05 1.57 2.43 -0.34 -1.64 114.38 116.80 3hsf h ARG 58 Ca -0.00 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 3hsf h ARG 58 Cb 0.05 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3hsf h ARG 58 CO 0.00 0.89 0.00 1.96 -1.51 0.00 0.00 179.97 181.31 3hsf h GLN 59 N 0.05 0.08 -0.16 0.20 1.08 -1.03 -2.12 115.11 113.21 3hsf h GLN 59 Ca 0.00 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 3hsf h GLN 59 Cb 0.88 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.29 3hsf h GLN 59 CO 0.06 0.36 -0.04 -0.07 -0.95 0.00 0.00 178.83 178.20 3hsf h LEU 60 N -0.21 0.21 -0.63 1.46 3.38 -1.53 -2.13 115.31 115.88 3hsf h LEU 60 Ca 0.01 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3hsf h LEU 60 Cb 0.32 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3hsf h LEU 60 CO 0.00 0.29 -0.68 0.78 0.09 0.00 0.00 178.44 178.93 3hsf h ASN 61 N 0.23 0.00 -0.06 -0.43 -0.26 -1.14 -1.92 115.58 112.00 3hsf h ASN 61 Ca 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 3hsf h ASN 61 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 3hsf h ASN 61 CO 0.01 0.68 0.00 0.23 -1.06 0.00 0.00 177.43 177.29 3hsf n MET 62 N -3.71 1.27 -0.03 0.81 2.81 -0.81 -3.87 117.12 113.59 3hsf n MET 62 Ca -0.01 -0.41 -0.04 0.00 -1.81 0.00 0.00 57.70 55.43 3hsf n MET 62 Cb 0.67 -1.32 -0.04 0.00 -0.71 0.00 0.00 33.22 31.83 3hsf n MET 62 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3hsf n TYR 63 N -0.37 0.00 0.00 2.03 4.01 -1.09 -5.03 117.16 116.71 3hsf n TYR 63 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 3hsf n TYR 63 Cb 0.16 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 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 2.92 0.41 3.79 2.72 0.00 -1.07 -4.90 105.19 109.06 3hsf n GLY 64 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 2.84 0.26 1.61 0.52 -0.75 -4.67 118.94 118.75 3hsf s TRP 65 Ca 0.00 1.53 -0.16 0.00 0.02 0.00 0.00 56.10 57.49 3hsf s TRP 65 Cb 0.00 -3.09 0.01 0.00 -1.15 0.00 0.00 33.47 29.23 3hsf s TRP 65 CO 0.00 -1.33 0.57 -1.01 0.02 0.00 0.00 176.95 175.20 3hsf s HIS 66 N -2.31 0.15 0.52 -1.98 3.76 -0.89 -4.13 115.29 110.40 3hsf s HIS 66 Ca 0.66 -0.55 -0.17 0.00 -0.15 0.00 0.00 55.06 54.85 3hsf s HIS 66 Cb -0.18 0.39 -0.07 0.00 1.11 0.00 0.00 32.58 33.82 3hsf s HIS 66 CO 0.36 -1.08 1.00 0.15 -0.85 0.00 0.00 174.74 174.32 3hsf s LYS 67 N -3.98 3.83 0.01 1.40 3.01 -1.26 -2.32 119.74 120.44 3hsf s LYS 67 Ca 0.18 1.07 0.00 0.00 -1.01 0.00 0.00 55.97 56.21 3hsf s LYS 67 Cb -0.03 -2.11 -0.01 0.00 -1.01 0.00 0.00 37.83 34.67 3hsf s LYS 67 CO 0.08 -0.38 -0.03 0.54 0.51 0.00 0.00 175.35 176.08 3hsf s VAL 68 N -2.47 0.14 0.00 3.17 0.11 -1.24 -4.88 120.40 115.23 3hsf s VAL 68 Ca 0.61 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 3hsf s VAL 68 Cb -0.12 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 3hsf s VAL 68 CO 0.29 -0.28 0.00 0.00 -3.33 0.00 0.00 175.10 171.78 3hsf n GLN 69 N 2.17 0.00 -1.08 1.54 6.02 -1.26 -4.55 117.38 120.22 3hsf n GLN 69 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 3hsf n GLN 69 Cb 0.57 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.83 3hsf n GLN 69 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3hsf n ASP 70 N -1.61 0.00 -1.89 1.08 -0.08 -1.26 -5.00 116.55 107.79 3hsf n ASP 70 Ca 0.00 -0.55 -0.18 0.00 -1.51 0.00 0.00 54.79 52.55 3hsf n ASP 70 Cb 0.00 0.00 0.19 0.00 2.34 0.00 0.00 41.12 43.65 3hsf n ASP 70 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3hsf n VAL 71 N 0.00 3.00 -3.53 5.18 0.24 -1.26 -4.84 118.33 117.12 3hsf n VAL 71 Ca 0.00 -2.20 -0.23 0.00 -2.04 0.00 0.00 64.34 59.88 3hsf n VAL 71 Cb 0.00 -0.42 -0.14 0.00 -1.47 0.00 0.00 33.84 31.80 3hsf n VAL 71 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3hsf s LYS 72 N -3.29 0.15 0.00 7.34 1.02 -1.26 -5.06 119.74 118.64 3hsf s LYS 72 Ca 0.53 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.49 3hsf s LYS 72 Cb 0.46 -1.39 0.00 0.00 -0.52 0.00 0.00 37.83 36.38 3hsf s LYS 72 CO 0.07 -0.74 0.08 0.43 -0.92 0.00 0.00 175.35 174.27 3hsf n SER 73 N 5.29 0.00 -2.86 2.83 7.64 -1.26 -4.95 113.62 120.31 3hsf n SER 73 Ca -0.06 0.34 -0.19 0.00 1.01 0.00 0.00 58.87 59.96 3hsf n SER 73 Cb 0.48 -0.29 0.05 0.00 -1.01 0.00 0.00 64.21 63.45 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 1.92 -0.29 2.96 0.23 0.00 -1.26 -4.10 105.19 104.65 3hsf n GLY 74 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 3hsf n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hsf n SER 75 N -2.06 -6.45 -1.23 1.61 3.41 -1.26 -4.91 113.62 102.73 3hsf n SER 75 Ca -0.03 0.92 -0.05 0.00 -0.26 0.00 0.00 58.87 59.44 3hsf n SER 75 Cb 0.57 -3.14 0.20 0.00 -0.26 0.00 0.00 64.21 61.58 3hsf n SER 75 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hsf n MET 76 N 1.37 1.87 -0.07 4.33 2.81 -1.26 -4.63 117.12 121.55 3hsf n MET 76 Ca -0.05 -3.18 -0.19 0.00 -1.81 0.00 0.00 57.70 52.47 3hsf n MET 76 Cb 0.29 -1.84 -0.13 0.00 -0.71 0.00 0.00 33.22 30.84 3hsf n MET 76 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3hsf h LEU 77 N 1.01 0.08 1.25 4.03 4.07 -1.95 -3.47 115.31 120.33 3hsf h LEU 77 Ca 0.24 -0.76 -0.37 0.00 0.08 0.00 0.00 57.88 57.07 3hsf h LEU 77 Cb 1.73 -0.03 -0.13 0.00 1.08 0.00 0.00 40.66 43.31 3hsf h LEU 77 CO 0.43 1.33 -0.36 -0.24 -1.08 0.00 0.00 178.44 178.53 3hsf n SER 78 N -4.40 -4.87 0.00 -0.43 2.88 -1.26 -4.36 113.62 101.18 3hsf n SER 78 Ca -0.22 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 3hsf n SER 78 Cb 0.65 -4.32 0.00 0.00 -0.75 0.00 0.00 64.21 59.79 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 -1.19 0.00 -4.52 -3.46 5.15 -1.26 -4.41 115.26 105.57 3hsf n ASN 79 Ca -0.19 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.36 3hsf n ASN 79 Cb 0.61 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.80 3hsf n ASN 79 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3hsf s ASN 80 N -4.00 6.35 -0.12 1.20 0.01 -1.26 -4.98 114.94 112.13 3hsf s ASN 80 Ca 0.00 -0.30 -0.31 0.00 -0.71 0.00 0.00 52.86 51.54 3hsf s ASN 80 Cb 0.00 -2.36 0.13 0.00 0.41 0.00 0.00 41.25 39.43 3hsf s ASN 80 CO 0.00 -0.91 1.05 -0.62 -1.51 0.00 0.00 177.10 175.12 3hsf s ASP 81 N 2.23 -0.27 -0.31 -1.22 -1.08 -1.26 -5.14 116.67 109.62 3hsf s ASP 81 Ca 0.26 0.10 0.02 0.00 -0.52 0.00 0.00 52.55 52.41 3hsf s ASP 81 Cb -0.14 0.26 0.15 0.00 -1.46 0.00 0.00 42.92 41.74 3hsf s ASP 81 CO 0.20 -0.38 0.37 -0.44 0.52 0.00 0.00 175.17 175.43 3hsf s SER 82 N -1.94 0.95 -0.32 -0.34 0.01 -1.26 -4.92 113.70 105.88 3hsf s SER 82 Ca 0.05 -0.78 0.05 0.00 1.31 0.00 0.00 55.95 56.57 3hsf s SER 82 Cb -0.01 0.81 0.18 0.00 0.21 0.00 0.00 66.02 67.20 3hsf s SER 82 CO -0.05 -0.34 0.51 -0.60 0.41 0.00 0.00 173.24 173.17 3hsf s ARG 83 N 2.23 0.56 0.19 12.44 3.00 -1.26 -4.48 118.95 131.63 3hsf s ARG 83 Ca 0.11 0.10 -0.23 0.00 -1.00 0.00 0.00 55.73 54.72 3hsf s ARG 83 Cb -0.13 -0.09 0.05 0.00 0.00 0.00 0.00 34.95 34.78 3hsf s ARG 83 CO -0.25 -1.08 0.67 1.67 0.00 0.00 0.00 175.30 176.31 3hsf s TRP 84 N 2.40 -0.39 -0.00 5.12 1.48 -1.25 -5.09 118.94 121.22 3hsf s TRP 84 Ca 0.12 0.09 0.02 0.00 -1.06 0.00 0.00 56.10 55.26 3hsf s TRP 84 Cb -0.10 0.62 -0.01 0.00 -1.16 0.00 0.00 33.47 32.82 3hsf s TRP 84 CO -0.22 -0.97 -0.07 -1.21 -4.06 0.00 0.00 176.95 170.42 3hsf s GLU 85 N -3.76 0.57 0.11 3.25 8.01 -1.26 -2.44 118.70 123.19 3hsf s GLU 85 Ca 0.05 -0.29 -0.23 0.00 0.01 0.00 0.00 54.97 54.51 3hsf s GLU 85 Cb -0.03 -0.54 -0.07 0.00 -4.31 0.00 0.00 34.13 29.18 3hsf s GLU 85 CO -0.05 0.15 0.69 -0.06 0.01 0.00 0.00 175.26 176.00 3hsf s PHE 86 N -0.25 3.85 -0.13 1.61 0.40 -0.86 -3.67 117.98 118.93 3hsf s PHE 86 Ca 0.02 1.47 -0.28 0.00 -0.60 0.00 0.00 56.93 57.53 3hsf s PHE 86 Cb -0.03 -2.66 0.07 0.00 0.51 0.00 0.00 43.02 40.90 3hsf s PHE 86 CO -0.00 0.52 0.68 -2.00 0.70 0.00 0.00 175.22 175.12 3hsf s GLU 87 N -1.00 0.96 -0.22 0.44 2.12 -0.98 -1.88 118.70 118.14 3hsf s GLU 87 Ca 0.33 0.52 0.00 0.00 0.36 0.00 0.00 54.97 56.18 3hsf s GLU 87 Cb -0.21 0.46 0.03 0.00 0.26 0.00 0.00 34.13 34.66 3hsf s GLU 87 CO 0.23 -0.24 -0.12 0.54 -0.54 0.00 0.00 175.26 175.12 3hsf s ASN 88 N -0.61 3.88 -0.07 -1.70 4.22 -1.26 -2.09 114.94 117.30 3hsf s ASN 88 Ca -0.07 -0.86 -0.06 0.00 -2.14 0.00 0.00 52.86 49.74 3hsf s ASN 88 Cb -0.02 -1.57 -0.04 0.00 1.28 0.00 0.00 41.25 40.90 3hsf s ASN 88 CO 0.07 -0.08 -0.13 1.21 -2.04 0.00 0.00 177.10 176.12 3hsf n GLU 89 N 4.61 0.21 -0.11 3.55 2.13 -1.26 -5.04 120.64 124.72 3hsf n GLU 89 Ca -0.18 0.09 -0.07 0.00 0.66 0.00 0.00 57.16 57.67 3hsf n GLU 89 Cb 0.47 -0.85 0.06 0.00 0.27 0.00 0.00 31.44 31.39 3hsf n GLU 89 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 3hsf n ARG 90 N -3.57 -2.19 -0.03 5.31 1.85 -1.26 -4.99 116.66 111.78 3hsf n ARG 90 Ca -0.16 -0.34 -0.00 0.00 -1.00 0.00 0.00 57.85 56.35 3hsf n ARG 90 Cb 0.51 -0.39 -0.00 0.00 -1.05 0.00 0.00 32.46 31.54 3hsf n ARG 90 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 3hsf h HIS 91 N -2.13 0.00 0.00 2.89 2.76 -1.96 -3.51 115.15 113.20 3hsf h HIS 91 Ca -0.09 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 3hsf h HIS 91 Cb 0.28 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.24 3hsf h HIS 91 CO 0.00 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.63