#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 2.98 0.66 0.00 3.00 -1.26 -5.06 118.95 119.28 3hsf s ARG 2 Ca 0.00 -1.47 -0.13 0.00 0.00 0.00 0.00 55.73 54.13 3hsf s ARG 2 Cb 0.00 -4.19 -0.00 0.00 0.00 0.00 0.00 34.95 30.76 3hsf s ARG 2 CO 0.00 -1.13 1.07 -1.25 0.00 0.00 0.00 175.30 174.00 3hsf s PRO 3 N 1.63 2.95 0.56 3.54 0.04 -1.26 -4.92 135.00 137.54 3hsf s PRO 3 Ca 0.04 1.15 0.33 0.00 0.04 0.00 0.00 61.00 62.55 3hsf s PRO 3 Cb -0.26 -1.98 1.60 0.00 0.04 0.00 0.00 34.50 33.89 3hsf s PRO 3 CO 0.05 -1.10 2.09 0.00 0.04 0.00 0.00 177.00 178.08 3hsf h ALA 4 N -0.24 1.10 0.63 8.56 0.00 -1.98 -2.52 119.26 124.81 3hsf h ALA 4 Ca -0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 3hsf h ALA 4 Cb 1.22 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.01 3hsf h ALA 4 CO 0.56 0.08 -0.30 0.35 0.00 0.00 0.00 179.25 179.94 3hsf h PHE 5 N 0.00 -0.78 -0.34 0.00 3.57 -2.00 -1.54 116.94 115.85 3hsf h PHE 5 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3hsf h PHE 5 Cb 0.36 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 3hsf h PHE 5 CO 0.00 -0.48 0.23 0.28 -2.23 0.00 0.00 178.31 176.10 3hsf h VAL 6 N -1.18 1.09 -0.16 1.41 2.07 -1.94 -0.73 116.25 116.81 3hsf h VAL 6 Ca -0.09 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3hsf h VAL 6 Cb 0.64 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3hsf h VAL 6 CO 0.14 0.08 -0.21 0.78 0.02 0.00 0.00 177.57 178.38 3hsf h ASN 7 N 0.46 0.27 0.74 0.57 2.35 -1.41 -2.24 115.58 116.32 3hsf h ASN 7 Ca 0.13 -0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 3hsf h ASN 7 Cb -0.05 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3hsf h ASN 7 CO -0.03 0.49 -0.57 0.07 -1.65 0.00 0.00 177.43 175.74 3hsf h LYS 8 N 0.25 0.00 -0.39 0.81 2.10 -0.07 -3.12 116.57 116.15 3hsf h LYS 8 Ca 0.04 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.62 3hsf h LYS 8 Cb 0.52 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.83 3hsf h LYS 8 CO 0.04 0.57 -0.07 1.25 -2.00 0.00 0.00 179.45 179.23 3hsf h LEU 9 N 0.00 0.64 0.00 7.07 5.85 -1.02 -2.12 115.31 125.72 3hsf h LEU 9 Ca -0.01 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3hsf h LEU 9 Cb 1.10 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3hsf h LEU 9 CO 0.07 0.75 0.00 0.79 -0.34 0.00 0.00 178.44 179.72 3hsf n TRP 10 N -4.20 0.00 -0.10 1.25 5.03 -1.18 -2.18 117.44 116.06 3hsf n TRP 10 Ca 0.01 0.00 -0.14 0.00 3.03 0.00 0.00 57.50 60.40 3hsf n TRP 10 Cb 0.32 0.00 -0.10 0.00 -1.03 0.00 0.00 31.31 30.50 3hsf n TRP 10 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 3hsf n SER 11 N -0.98 2.36 0.04 -0.99 7.64 -0.82 -4.04 113.62 116.82 3hsf n SER 11 Ca 0.22 -0.11 -0.04 0.00 1.01 0.00 0.00 58.87 59.94 3hsf n SER 11 Cb 0.10 -0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 62.89 3hsf n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hsf h MET 12 N 0.00 0.00 -0.01 1.43 -0.00 -1.56 -3.29 114.93 111.50 3hsf h MET 12 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.23 3hsf h MET 12 Cb 1.73 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.33 3hsf h MET 12 CO -0.07 0.55 -0.13 0.28 -0.00 0.00 0.00 176.91 177.54 3hsf n VAL 13 N -3.10 0.00 0.29 -0.10 0.31 -0.93 -3.71 118.33 111.10 3hsf n VAL 13 Ca -0.08 -0.09 0.09 0.00 -0.01 0.00 0.00 64.34 64.25 3hsf n VAL 13 Cb 0.92 0.03 0.42 0.00 -0.91 0.00 0.00 33.84 34.31 3hsf n VAL 13 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3hsf n ASN 14 N -0.81 0.43 -2.80 4.52 0.23 -1.24 -4.72 115.26 110.87 3hsf n ASN 14 Ca 0.15 0.64 -0.13 0.00 -0.53 0.00 0.00 54.58 54.71 3hsf n ASN 14 Cb 0.29 -0.72 0.07 0.00 -2.08 0.00 0.00 39.78 37.34 3hsf n ASN 14 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3hsf n ASP 15 N -2.02 -2.18 0.00 0.53 8.00 -1.24 -4.99 116.55 114.65 3hsf n ASP 15 Ca 0.01 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.05 3hsf n ASP 15 Cb 0.13 -3.92 0.00 0.00 -0.02 0.00 0.00 41.12 37.31 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 -3.34 0.00 -0.00 -1.24 3.00 -1.26 -4.05 118.16 111.26 3hsf n LYS 16 Ca -0.20 0.16 -0.07 0.00 -0.00 0.00 0.00 58.31 58.19 3hsf n LYS 16 Cb 0.62 -0.66 -0.13 0.00 0.00 0.00 0.00 35.03 34.87 3hsf n LYS 16 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3hsf h SER 17 N 0.00 0.00 -0.93 3.14 4.64 -1.94 -3.32 113.55 115.15 3hsf h SER 17 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3hsf h SER 17 Cb 0.00 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.81 3hsf h SER 17 CO 0.00 0.94 0.72 -0.46 -0.87 0.00 0.00 176.83 177.16 3hsf n ASN 18 N -3.07 5.72 -4.57 4.97 0.23 -1.26 -4.89 115.26 112.39 3hsf n ASN 18 Ca -0.14 -3.60 -0.27 0.00 -0.53 0.00 0.00 54.58 50.05 3hsf n ASN 18 Cb 1.01 -0.91 -0.06 0.00 -2.08 0.00 0.00 39.78 37.74 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 -3.33 2.42 0.00 -3.83 -1.05 -1.25 -2.59 118.70 109.07 3hsf s GLU 19 Ca 0.57 -0.90 0.00 0.00 -0.15 0.00 0.00 54.97 54.49 3hsf s GLU 19 Cb 0.46 -5.18 0.00 0.00 -0.44 0.00 0.00 34.13 28.97 3hsf s GLU 19 CO 0.04 -3.94 0.00 0.36 0.95 0.00 0.00 175.26 172.67 3hsf n LYS 20 N 8.42 0.00 0.00 -4.83 2.85 -1.26 -5.04 118.16 118.30 3hsf n LYS 20 Ca 0.44 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.70 3hsf n LYS 20 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 3hsf n LYS 20 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3hsf n PHE 21 N 0.00 0.00 -1.67 5.58 3.72 -1.07 -4.96 117.46 119.06 3hsf n PHE 21 Ca 0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 3hsf n PHE 21 Cb 0.00 0.00 0.06 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 0.00 3.62 -0.10 4.37 2.07 -1.26 -4.52 121.20 125.38 3hsf s ILE 22 Ca 0.00 0.53 -0.31 0.00 -1.41 0.00 0.00 60.65 59.46 3hsf s ILE 22 Cb 0.00 -3.36 0.10 0.00 0.13 0.00 0.00 42.46 39.33 3hsf s ILE 22 CO 0.00 -0.69 0.83 -2.28 -1.91 0.00 0.00 174.94 170.89 3hsf s HIS 23 N -3.18 -0.52 0.66 3.50 2.46 -1.24 -4.87 115.29 112.10 3hsf s HIS 23 Ca 0.59 0.90 -0.14 0.00 0.47 0.00 0.00 55.06 56.88 3hsf s HIS 23 Cb -0.13 0.43 -0.00 0.00 -0.13 0.00 0.00 32.58 32.74 3hsf s HIS 23 CO 0.54 -0.48 1.08 -1.58 -2.47 0.00 0.00 174.74 171.83 3hsf s TRP 24 N -1.14 2.84 0.00 3.88 0.52 -1.26 -2.74 118.94 121.04 3hsf s TRP 24 Ca -0.07 1.51 0.00 0.00 0.02 0.00 0.00 56.10 57.57 3hsf s TRP 24 Cb -0.00 -3.04 0.00 0.00 -1.15 0.00 0.00 33.47 29.28 3hsf s TRP 24 CO 0.06 -1.42 0.00 0.45 0.02 0.00 0.00 176.95 176.06 3hsf n SER 25 N -2.59 0.00 0.17 2.95 2.88 -0.82 -4.81 113.62 111.40 3hsf n SER 25 Ca 0.09 -0.42 0.02 0.00 -1.33 0.00 0.00 58.87 57.22 3hsf n SER 25 Cb 0.53 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.29 3hsf n SER 25 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3hsf h THR 26 N -0.28 1.26 0.00 2.46 2.02 -1.97 -3.25 112.91 113.15 3hsf h THR 26 Ca 0.00 -1.59 -0.09 0.00 0.77 0.00 0.00 66.41 65.51 3hsf h THR 26 Cb 0.00 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3hsf h THR 26 CO 0.00 0.44 -0.48 0.77 0.37 0.00 0.00 175.52 176.63 3hsf h SER 27 N 0.00 0.00 0.00 4.18 4.64 -1.92 -3.49 113.55 116.96 3hsf h SER 27 Ca -0.00 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 3hsf h SER 27 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3hsf h SER 27 CO 0.06 1.16 0.00 0.61 -0.87 0.00 0.00 176.83 177.79 3hsf n GLY 28 N 1.55 3.51 0.18 -0.77 0.00 -1.23 -4.90 105.19 103.53 3hsf n GLY 28 Ca -0.18 -1.02 0.04 0.00 0.00 0.00 0.00 46.02 44.87 3hsf n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hsf h GLU 29 N 0.00 0.00 -6.74 1.61 5.08 -1.95 -3.41 114.58 109.17 3hsf h GLU 29 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 3hsf h GLU 29 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3hsf h GLU 29 CO 0.00 0.42 0.21 0.45 -1.00 0.00 0.00 179.01 179.08 3hsf s SER 30 N -6.49 7.09 -0.05 1.42 0.15 -1.26 -4.60 113.70 109.96 3hsf s SER 30 Ca 0.00 1.56 0.06 0.00 0.70 0.00 0.00 55.95 58.27 3hsf s SER 30 Cb 0.11 -2.48 -0.02 0.00 -1.71 0.00 0.00 66.02 61.93 3hsf s SER 30 CO 0.70 -0.07 -0.24 -0.63 1.20 0.00 0.00 173.24 174.20 3hsf s ILE 31 N -1.69 2.22 -0.02 6.45 1.01 -1.00 -1.94 121.20 126.24 3hsf s ILE 31 Ca 0.49 -1.02 0.07 0.00 0.00 0.00 0.00 60.65 60.19 3hsf s ILE 31 Cb -0.16 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 3hsf s ILE 31 CO 0.20 0.57 -0.24 -0.69 0.00 0.00 0.00 174.94 174.79 3hsf s VAL 32 N -0.35 2.27 -0.49 2.92 1.01 -1.11 -2.02 120.40 122.63 3hsf s VAL 32 Ca 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.94 3hsf s VAL 32 Cb -0.12 -1.82 0.13 0.00 0.00 0.00 0.00 36.38 34.57 3hsf s VAL 32 CO 0.02 0.55 0.26 -0.69 0.00 0.00 0.00 175.10 175.24 3hsf s VAL 33 N -0.66 3.04 0.31 2.92 1.01 -0.98 -3.65 120.40 122.38 3hsf s VAL 33 Ca 0.11 -2.73 0.17 0.00 0.00 0.00 0.00 61.98 59.53 3hsf s VAL 33 Cb -0.10 -3.08 0.13 0.00 0.00 0.00 0.00 36.38 33.33 3hsf s VAL 33 CO -0.00 -0.76 1.82 1.55 0.00 0.00 0.00 175.10 177.71 3hsf h PRO 34 N 7.24 0.00 -2.81 2.72 0.13 -1.82 -3.20 132.00 134.27 3hsf h PRO 34 Ca -0.06 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.47 3hsf h PRO 34 Cb 0.97 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.71 3hsf h PRO 34 CO 0.67 0.36 -0.79 -0.80 -0.23 0.00 0.00 178.00 177.20 3hsf s ASN 35 N -6.64 3.34 0.36 1.44 -0.87 -1.26 -4.66 114.94 106.65 3hsf s ASN 35 Ca -0.02 -2.39 0.15 0.00 -1.57 0.00 0.00 52.86 49.04 3hsf s ASN 35 Cb 0.13 -0.73 0.70 0.00 -0.02 0.00 0.00 41.25 41.33 3hsf s ASN 35 CO 0.69 -0.29 1.77 0.08 -2.57 0.00 0.00 177.10 176.79 3hsf h ARG 36 N 6.91 0.00 -1.82 -0.60 0.11 -1.74 -2.77 114.38 114.47 3hsf h ARG 36 Ca 0.02 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.60 3hsf h ARG 36 Cb 0.95 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 31.84 3hsf h ARG 36 CO 0.38 0.40 0.50 -1.91 0.10 0.00 0.00 179.97 179.45 3hsf n GLU 37 N -3.82 2.33 0.00 0.08 2.13 -1.26 -3.91 120.64 116.19 3hsf n GLU 37 Ca -0.01 -2.37 0.00 0.00 0.66 0.00 0.00 57.16 55.44 3hsf n GLU 37 Cb 0.47 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.13 3hsf n GLU 37 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3hsf n ARG 38 N 0.48 0.00 -0.08 5.31 3.00 -1.17 -4.88 116.66 119.33 3hsf n ARG 38 Ca 0.46 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 58.22 3hsf n ARG 38 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.97 3hsf n ARG 38 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 3hsf h PHE 39 N 0.00 0.38 0.38 -0.14 3.04 -1.65 0.41 116.94 119.36 3hsf h PHE 39 Ca 0.00 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 3hsf h PHE 39 Cb 0.00 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.38 3hsf h PHE 39 CO 0.00 0.29 -0.21 0.28 -2.02 0.00 0.00 178.31 176.64 3hsf h VAL 40 N 0.36 0.55 0.00 1.41 2.07 -1.83 0.93 116.25 119.74 3hsf h VAL 40 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3hsf h VAL 40 Cb 0.02 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3hsf h VAL 40 CO -0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.57 3hsf n GLN 41 N -5.35 0.17 -0.34 1.57 6.02 -1.14 -2.33 117.38 115.99 3hsf n GLN 41 Ca -0.10 0.16 0.02 0.00 -0.01 0.00 0.00 57.00 57.07 3hsf n GLN 41 Cb 0.25 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.04 3hsf n GLN 41 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3hsf n GLU 42 N -1.33 0.37 0.00 -1.09 1.02 0.12 -4.90 120.64 114.82 3hsf n GLU 42 Ca 0.06 -1.27 0.00 0.00 -0.02 0.00 0.00 57.16 55.93 3hsf n GLU 42 Cb 0.13 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 3hsf n GLU 42 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hsf n VAL 43 N -0.30 0.00 0.01 2.62 0.31 0.32 -4.84 118.33 116.44 3hsf n VAL 43 Ca 0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.23 3hsf n VAL 43 Cb 0.65 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.48 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 -0.05 -0.16 7.52 5.85 -1.40 -3.04 115.31 124.03 3hsf h LEU 44 Ca 0.00 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3hsf h LEU 44 Cb 0.00 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3hsf h LEU 44 CO 0.00 0.44 0.00 -0.81 -0.34 0.00 0.00 178.44 177.73 3hsf n PRO 45 N -4.88 0.07 0.07 5.25 -0.04 -1.25 -1.93 135.00 132.27 3hsf n PRO 45 Ca -0.09 0.24 -0.04 0.00 -0.04 0.00 0.00 63.50 63.57 3hsf n PRO 45 Cb 0.26 -1.61 0.16 0.00 -0.04 0.00 0.00 33.50 32.27 3hsf n PRO 45 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3hsf h LYS 46 N 0.00 0.32 0.00 0.54 3.64 -1.85 -3.27 116.57 115.94 3hsf h LYS 46 Ca 0.00 -0.17 -0.19 0.00 -1.27 0.00 0.00 60.65 59.02 3hsf h LYS 46 Cb 0.36 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 3hsf h LYS 46 CO 0.00 0.73 -2.06 0.66 -2.27 0.00 0.00 179.45 176.51 3hsf n TYR 47 N -3.98 0.00 -3.38 1.91 4.02 -1.15 -5.03 117.16 109.55 3hsf n TYR 47 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3hsf n TYR 47 Cb 0.53 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 39.16 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 -2.45 0.00 0.09 -0.72 3.01 -0.82 -5.12 117.46 111.46 3hsf n PHE 48 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 3hsf n PHE 48 Cb 0.84 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.31 3hsf n PHE 48 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3hsf n LYS 49 N 0.00 0.00 0.14 -1.08 4.01 -1.26 -4.32 118.16 115.65 3hsf n LYS 49 Ca 0.00 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.92 3hsf n LYS 49 Cb 0.00 0.00 0.50 0.00 -0.51 0.00 0.00 35.03 35.02 3hsf n LYS 49 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3hsf h HIS 50 N 0.00 0.00 -3.18 2.13 3.86 -1.97 -3.43 115.15 112.56 3hsf h HIS 50 Ca 0.00 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.63 3hsf h HIS 50 Cb 0.00 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.40 3hsf h HIS 50 CO 0.00 0.00 0.63 0.45 0.86 0.00 0.00 177.93 179.87 3hsf s SER 51 N -4.38 7.03 0.53 2.45 0.15 -1.26 -4.97 113.70 113.24 3hsf s SER 51 Ca 0.04 1.28 0.02 0.00 0.70 0.00 0.00 55.95 57.99 3hsf s SER 51 Cb 0.09 -2.50 0.01 0.00 -1.71 0.00 0.00 66.02 61.91 3hsf s SER 51 CO 0.42 -0.57 0.11 0.21 1.20 0.00 0.00 173.24 174.61 3hsf s ASN 52 N 1.22 4.28 0.56 5.45 2.47 -1.26 -4.67 114.94 122.98 3hsf s ASN 52 Ca 0.41 -1.57 0.30 0.00 0.42 0.00 0.00 52.86 52.42 3hsf s ASN 52 Cb -0.16 0.57 1.46 0.00 -1.45 0.00 0.00 41.25 41.68 3hsf s ASN 52 CO 0.09 -0.95 1.88 2.19 -3.72 0.00 0.00 177.10 176.58 3hsf h PHE 53 N 1.16 0.00 -0.22 0.43 -5.15 -1.96 0.68 116.94 111.88 3hsf h PHE 53 Ca -0.42 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.31 3hsf h PHE 53 Cb 1.32 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.48 3hsf h PHE 53 CO 1.44 0.00 -0.04 0.00 -2.00 0.00 0.00 178.31 177.71 3hsf h ALA 54 N 1.51 0.30 0.00 12.09 0.00 -1.99 -2.34 119.26 128.83 3hsf h ALA 54 Ca 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hsf h ALA 54 Cb 1.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3hsf h ALA 54 CO -0.00 0.07 -0.04 1.03 0.00 0.00 0.00 179.25 180.31 3hsf h SER 55 N 0.15 0.00 -0.01 0.00 0.87 -1.26 -2.19 113.55 111.11 3hsf h SER 55 Ca 0.06 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.51 3hsf h SER 55 Cb 0.48 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.44 3hsf h SER 55 CO 0.02 0.04 -0.42 0.15 -0.53 0.00 0.00 176.83 176.09 3hsf h PHE 56 N 0.00 0.45 -0.01 2.24 3.57 -1.03 -2.47 116.94 119.68 3hsf h PHE 56 Ca -0.00 -0.23 -0.14 0.00 3.53 0.00 0.00 57.97 61.12 3hsf h PHE 56 Cb 0.54 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3hsf h PHE 56 CO 0.00 1.03 -0.68 0.28 -2.23 0.00 0.00 178.31 176.72 3hsf h VAL 57 N -0.27 1.48 -0.10 1.41 2.07 -1.36 -2.66 116.25 116.82 3hsf h VAL 57 Ca -0.05 -2.29 -0.06 0.00 0.82 0.00 0.00 66.70 65.12 3hsf h VAL 57 Cb 1.14 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 3hsf h VAL 57 CO 0.08 0.66 -0.17 -0.09 0.02 0.00 0.00 177.57 178.07 3hsf h ARG 58 N 0.02 0.29 -0.58 1.57 2.43 -1.46 -2.69 114.38 113.96 3hsf h ARG 58 Ca -0.01 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 58.90 3hsf h ARG 58 Cb 1.20 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 3hsf h ARG 58 CO 0.09 0.77 0.04 1.96 -1.51 0.00 0.00 179.97 181.32 3hsf h GLN 59 N -0.15 0.97 -0.74 0.20 1.08 -1.48 -1.50 115.11 113.49 3hsf h GLN 59 Ca 0.01 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 3hsf h GLN 59 Cb 0.75 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 3hsf h GLN 59 CO 0.04 0.93 0.39 -0.07 -0.95 0.00 0.00 178.83 179.17 3hsf h LEU 60 N 0.90 0.95 -0.96 1.46 3.38 -1.49 -1.61 115.31 117.94 3hsf h LEU 60 Ca 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3hsf h LEU 60 Cb 0.47 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hsf h LEU 60 CO 0.02 0.79 -0.07 0.78 0.09 0.00 0.00 178.44 180.05 3hsf h ASN 61 N 1.03 0.00 0.14 -0.43 -0.26 -1.21 -1.65 115.58 113.21 3hsf h ASN 61 Ca 0.26 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.99 3hsf h ASN 61 Cb 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 3hsf h ASN 61 CO -0.04 0.07 -0.07 -0.03 -1.06 0.00 0.00 177.43 176.30 3hsf h MET 62 N 0.00 -0.19 0.04 0.81 4.05 -0.26 -3.33 114.93 116.04 3hsf h MET 62 Ca -0.00 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.38 3hsf h MET 62 Cb 0.72 0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.57 3hsf h MET 62 CO 0.01 0.16 -0.23 1.88 0.23 0.00 0.00 176.91 178.95 3hsf h TYR 63 N -0.56 0.16 0.00 1.39 0.05 -1.56 -3.50 116.97 112.95 3hsf h TYR 63 Ca -0.02 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.64 3hsf h TYR 63 Cb 0.43 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.16 3hsf h TYR 63 CO 0.04 1.08 0.00 0.41 -1.05 0.00 0.00 178.16 178.64 3hsf n GLY 64 N 1.60 -0.62 2.53 3.88 0.00 -0.62 -5.13 105.19 106.82 3hsf n GLY 64 Ca -0.11 0.63 -0.02 0.00 0.00 0.00 0.00 46.02 46.51 3hsf n GLY 64 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hsf n TRP 65 N 0.00 -3.47 -4.76 1.61 7.02 -1.22 -3.57 117.44 113.06 3hsf n TRP 65 Ca 0.00 2.04 -0.31 0.00 -1.02 0.00 0.00 57.50 58.21 3hsf n TRP 65 Cb 0.00 -3.15 -0.17 0.00 -2.42 0.00 0.00 31.31 25.57 3hsf n TRP 65 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 3hsf s HIS 66 N -0.47 2.43 1.09 -5.99 3.76 -0.93 -4.56 115.29 110.62 3hsf s HIS 66 Ca -0.12 -1.14 -0.12 0.00 -0.15 0.00 0.00 55.06 53.52 3hsf s HIS 66 Cb 0.01 -1.67 0.24 0.00 1.11 0.00 0.00 32.58 32.27 3hsf s HIS 66 CO 0.34 -0.52 1.06 0.15 -0.85 0.00 0.00 174.74 174.92 3hsf s LYS 67 N 0.72 -0.31 0.24 1.40 1.02 -1.26 -3.90 119.74 117.65 3hsf s LYS 67 Ca -0.10 1.06 -0.30 0.00 0.02 0.00 0.00 55.97 56.65 3hsf s LYS 67 Cb -0.16 -1.61 -0.09 0.00 -0.52 0.00 0.00 37.83 35.45 3hsf s LYS 67 CO 0.01 -3.38 1.19 0.14 -0.92 0.00 0.00 175.35 172.38 3hsf s VAL 68 N -2.52 3.38 -0.11 3.17 -7.23 -1.26 -4.93 120.40 110.90 3hsf s VAL 68 Ca 0.68 1.27 0.14 0.00 -1.81 0.00 0.00 61.98 62.26 3hsf s VAL 68 Cb -0.24 -3.81 -0.21 0.00 0.56 0.00 0.00 36.38 32.68 3hsf s VAL 68 CO 0.62 0.26 0.15 1.67 -0.31 0.00 0.00 175.10 177.49 3hsf n GLN 69 N 1.76 1.19 -3.38 4.82 -0.06 -1.26 -4.86 117.38 115.60 3hsf n GLN 69 Ca 0.02 -0.05 -0.43 0.00 -2.00 0.00 0.00 57.00 54.53 3hsf n GLN 69 Cb 0.44 -1.38 -0.09 0.00 -4.06 0.00 0.00 30.24 25.15 3hsf n GLN 69 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 3hsf s ASP 70 N -4.51 6.15 0.00 1.69 -4.77 -1.26 -4.71 116.67 109.26 3hsf s ASP 70 Ca -0.07 -0.95 0.00 0.00 -3.30 0.00 0.00 52.55 48.23 3hsf s ASP 70 Cb 0.06 -2.19 0.00 0.00 -1.09 0.00 0.00 42.92 39.70 3hsf s ASP 70 CO 0.63 -0.57 0.00 1.33 0.70 0.00 0.00 175.17 177.26 3hsf n VAL 71 N 5.29 0.00 -3.12 2.11 0.24 -1.26 -5.05 118.33 116.53 3hsf n VAL 71 Ca -0.10 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 3hsf n VAL 71 Cb 0.46 -0.02 0.06 0.00 -1.47 0.00 0.00 33.84 32.87 3hsf n VAL 71 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3hsf n LYS 72 N -1.73 -5.12 0.12 7.34 4.81 -1.26 -4.96 118.16 117.36 3hsf n LYS 72 Ca 0.00 0.61 -0.07 0.00 -0.87 0.00 0.00 58.31 57.99 3hsf n LYS 72 Cb 0.00 -4.96 -0.03 0.00 0.02 0.00 0.00 35.03 30.06 3hsf n LYS 72 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hsf h SER 73 N -1.56 -0.34 -0.65 3.14 4.64 -1.97 -3.49 113.55 113.33 3hsf h SER 73 Ca -0.43 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3hsf h SER 73 Cb 1.25 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3hsf h SER 73 CO 0.38 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 3hsf n GLY 74 N 0.73 0.78 2.98 -0.77 0.00 -1.26 -5.07 105.19 102.59 3hsf n GLY 74 Ca -0.05 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.73 3hsf n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hsf s SER 75 N -2.26 -0.22 0.00 1.61 0.15 -1.26 -5.14 113.70 106.58 3hsf s SER 75 Ca 0.00 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.62 3hsf s SER 75 Cb 0.00 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 3hsf s SER 75 CO 0.00 -0.03 0.00 0.80 1.20 0.00 0.00 173.24 175.21 3hsf n MET 76 N 4.49 0.00 -2.97 5.44 1.56 -1.26 -4.80 117.12 119.57 3hsf n MET 76 Ca 0.08 0.00 -0.44 0.00 -0.27 0.00 0.00 57.70 57.07 3hsf n MET 76 Cb 0.61 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.98 3hsf n MET 76 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 3hsf n LEU 77 N 0.00 5.32 0.02 -0.89 4.77 -1.26 -4.64 117.00 120.31 3hsf n LEU 77 Ca 0.00 -4.55 -0.00 0.00 -0.03 0.00 0.00 56.01 51.43 3hsf n LEU 77 Cb 0.00 -1.59 -0.00 0.00 -2.33 0.00 0.00 43.42 39.49 3hsf n LEU 77 CO 0.00 0.84 -0.01 -0.24 -1.33 0.00 0.00 177.39 176.64 3hsf n SER 78 N 5.17 0.45 -2.51 -1.43 2.88 -1.26 -4.99 113.62 111.93 3hsf n SER 78 Ca 0.35 0.06 -0.02 0.00 -1.33 0.00 0.00 58.87 57.93 3hsf n SER 78 Cb 0.42 -0.16 0.09 0.00 -0.75 0.00 0.00 64.21 63.82 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 -2.90 -0.84 -3.65 -3.46 2.85 -1.26 -5.11 115.26 100.88 3hsf n ASN 79 Ca -0.00 -2.16 -0.13 0.00 -0.11 0.00 0.00 54.58 52.18 3hsf n ASN 79 Cb 0.01 0.42 -0.08 0.00 1.24 0.00 0.00 39.78 41.38 3hsf n ASN 79 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3hsf s ASN 80 N -1.60 -0.70 -0.32 1.20 4.22 -1.26 -5.07 114.94 111.41 3hsf s ASN 80 Ca 0.12 1.32 0.02 0.00 -2.14 0.00 0.00 52.86 52.17 3hsf s ASN 80 Cb 0.38 1.31 0.09 0.00 1.28 0.00 0.00 41.25 44.31 3hsf s ASN 80 CO -0.10 -0.23 1.08 -0.90 -2.04 0.00 0.00 177.10 174.92 3hsf n ASP 81 N 2.94 -1.19 -0.13 3.54 5.68 -1.26 -4.84 116.55 121.29 3hsf n ASP 81 Ca -0.15 -1.70 0.06 0.00 -0.50 0.00 0.00 54.79 52.50 3hsf n ASP 81 Cb 0.56 1.01 0.08 0.00 -1.14 0.00 0.00 41.12 41.63 3hsf n ASP 81 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3hsf n SER 82 N -0.49 1.77 -3.34 -1.12 7.64 -1.26 -4.89 113.62 111.93 3hsf n SER 82 Ca -0.25 -2.61 -0.16 0.00 1.01 0.00 0.00 58.87 56.86 3hsf n SER 82 Cb 0.66 -0.29 -0.07 0.00 -1.01 0.00 0.00 64.21 63.50 3hsf n SER 82 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3hsf s ARG 83 N -1.91 0.68 0.20 1.43 3.52 -1.26 -4.21 118.95 117.40 3hsf s ARG 83 Ca 0.19 -0.89 -0.10 0.00 -0.13 0.00 0.00 55.73 54.80 3hsf s ARG 83 Cb 0.17 -0.68 -0.07 0.00 -1.56 0.00 0.00 34.95 32.81 3hsf s ARG 83 CO 0.02 -1.21 0.52 -1.58 -0.81 0.00 0.00 175.30 172.24 3hsf s TRP 84 N 1.37 3.46 0.03 5.12 0.52 -1.21 -4.94 118.94 123.29 3hsf s TRP 84 Ca 0.18 0.86 0.07 0.00 0.02 0.00 0.00 56.10 57.22 3hsf s TRP 84 Cb -0.14 -2.24 -0.02 0.00 -1.15 0.00 0.00 33.47 29.92 3hsf s TRP 84 CO -0.03 0.32 -0.19 -1.83 0.02 0.00 0.00 176.95 175.24 3hsf s GLU 85 N -2.65 1.35 0.02 4.98 1.03 -1.26 -2.32 118.70 119.85 3hsf s GLU 85 Ca 0.45 -0.84 0.04 0.00 0.03 0.00 0.00 54.97 54.65 3hsf s GLU 85 Cb -0.12 -1.41 -0.02 0.00 -0.80 0.00 0.00 34.13 31.79 3hsf s GLU 85 CO 0.21 0.37 -0.13 -0.06 -1.33 0.00 0.00 175.26 174.32 3hsf s PHE 86 N -0.71 1.11 -0.01 4.83 0.40 -0.86 -4.71 117.98 118.03 3hsf s PHE 86 Ca 0.07 -0.30 -0.16 0.00 -0.60 0.00 0.00 56.93 55.94 3hsf s PHE 86 Cb -0.08 -0.68 0.03 0.00 0.51 0.00 0.00 43.02 42.80 3hsf s PHE 86 CO 0.01 0.01 0.33 -2.00 0.70 0.00 0.00 175.22 174.27 3hsf s GLU 87 N -0.85 0.71 0.44 0.44 2.12 -1.25 -2.36 118.70 117.94 3hsf s GLU 87 Ca 0.02 -0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.16 3hsf s GLU 87 Cb -0.07 0.31 0.02 0.00 0.26 0.00 0.00 34.13 34.66 3hsf s GLU 87 CO 0.01 -0.20 0.18 0.09 -0.54 0.00 0.00 175.26 174.80 3hsf n ASN 88 N 1.16 2.79 -0.01 -1.70 3.02 -1.26 -2.18 115.26 117.09 3hsf n ASN 88 Ca -0.21 -2.71 -0.00 0.00 -0.03 0.00 0.00 54.58 51.63 3hsf n ASN 88 Cb 0.56 0.12 -0.00 0.00 -0.61 0.00 0.00 39.78 39.85 3hsf n ASN 88 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3hsf h GLU 89 N 0.00 0.00 0.00 3.52 3.07 -1.99 -3.47 114.58 115.70 3hsf h GLU 89 Ca -0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 3hsf h GLU 89 Cb 1.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 3hsf h GLU 89 CO 0.52 0.00 0.00 2.89 -1.40 0.00 0.00 179.01 181.02 3hsf n ARG 90 N -2.41 0.00 -3.35 2.33 1.85 -1.26 -5.14 116.66 108.68 3hsf n ARG 90 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.70 3hsf n ARG 90 Cb 0.02 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.35 3hsf n ARG 90 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3hsf s HIS 91 N -4.61 -0.59 0.00 2.89 2.46 -1.26 -5.18 115.29 109.00 3hsf s HIS 91 Ca 0.00 -0.28 0.00 0.00 0.47 0.00 0.00 55.06 55.25 3hsf s HIS 91 Cb 0.00 -0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.12 3hsf s HIS 91 CO 0.00 -0.97 0.00 0.00 -2.47 0.00 0.00 174.74 171.30