#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 1.30 0.48 0.00 0.52 -1.26 -5.06 118.95 114.93 3hsf s ARG 2 Ca 0.00 -1.93 0.03 0.00 -0.52 0.00 0.00 55.73 53.30 3hsf s ARG 2 Cb 0.00 -2.46 0.02 0.00 0.52 0.00 0.00 34.95 33.02 3hsf s ARG 2 CO 0.00 -1.11 0.69 -1.25 0.02 0.00 0.00 175.30 173.64 3hsf s PRO 3 N 0.50 2.77 0.33 3.54 0.04 -1.26 -4.97 135.00 135.95 3hsf s PRO 3 Ca 0.16 -0.82 0.24 0.00 0.04 0.00 0.00 61.00 60.62 3hsf s PRO 3 Cb -0.23 -2.58 1.18 0.00 0.04 0.00 0.00 34.50 32.91 3hsf s PRO 3 CO -0.04 -0.46 1.74 0.00 0.04 0.00 0.00 177.00 178.28 3hsf h ALA 4 N 0.32 1.00 -0.00 8.56 0.00 -1.99 -2.71 119.26 124.44 3hsf h ALA 4 Ca -0.43 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3hsf h ALA 4 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hsf h ALA 4 CO 0.52 0.00 -0.05 0.35 0.00 0.00 0.00 179.25 180.08 3hsf h PHE 5 N 0.00 0.05 0.00 0.00 3.57 -1.99 -2.36 116.94 116.21 3hsf h PHE 5 Ca 0.00 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 3hsf h PHE 5 Cb 0.18 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3hsf h PHE 5 CO 0.00 0.78 -0.41 0.28 -2.23 0.00 0.00 178.31 176.74 3hsf h VAL 6 N -0.70 1.28 -0.32 1.41 2.07 -1.91 -2.20 116.25 115.88 3hsf h VAL 6 Ca -0.00 -1.40 -0.08 0.00 0.82 0.00 0.00 66.70 66.04 3hsf h VAL 6 Cb 0.79 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 3hsf h VAL 6 CO 0.01 0.40 -0.09 0.78 0.02 0.00 0.00 177.57 178.68 3hsf h ASN 7 N 0.00 0.64 0.76 0.57 -0.26 -1.52 -2.68 115.58 113.09 3hsf h ASN 7 Ca -0.00 -0.37 -0.04 0.00 -0.56 0.00 0.00 56.30 55.33 3hsf h ASN 7 Cb 0.72 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.80 3hsf h ASN 7 CO 0.05 0.87 -0.17 0.07 -1.06 0.00 0.00 177.43 177.19 3hsf h LYS 8 N 0.41 0.00 -0.29 0.81 2.10 -1.20 -2.91 116.57 115.49 3hsf h LYS 8 Ca 0.08 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.61 3hsf h LYS 8 Cb 0.60 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.91 3hsf h LYS 8 CO 0.04 0.17 -0.30 1.25 -2.00 0.00 0.00 179.45 178.60 3hsf h LEU 9 N 0.00 0.63 0.00 7.07 5.85 -1.06 -1.87 115.31 125.93 3hsf h LEU 9 Ca -0.00 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3hsf h LEU 9 Cb 0.60 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3hsf h LEU 9 CO 0.02 0.90 0.00 0.79 -0.34 0.00 0.00 178.44 179.81 3hsf n TRP 10 N -4.08 0.00 -0.03 1.25 5.03 -1.10 -2.29 117.44 116.22 3hsf n TRP 10 Ca -0.01 0.00 -0.03 0.00 3.03 0.00 0.00 57.50 60.50 3hsf n TRP 10 Cb 0.46 0.00 -0.06 0.00 -1.03 0.00 0.00 31.31 30.68 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 -0.99 3.16 -0.01 -0.99 7.64 -0.97 -4.30 113.62 117.17 3hsf n SER 11 Ca 0.22 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 60.04 3hsf n SER 11 Cb 0.10 0.77 -0.13 0.00 -1.01 0.00 0.00 64.21 63.95 3hsf n SER 11 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 3hsf n MET 12 N -2.21 0.63 0.04 1.43 0.00 -0.74 -4.00 117.12 112.27 3hsf n MET 12 Ca -0.11 0.28 0.12 0.00 0.00 0.00 0.00 57.70 58.00 3hsf n MET 12 Cb 0.67 -1.80 0.30 0.00 0.00 0.00 0.00 33.22 32.39 3hsf n MET 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3hsf n VAL 13 N -3.01 0.25 0.28 3.17 0.31 -0.97 -3.85 118.33 114.51 3hsf n VAL 13 Ca -0.15 -0.16 0.18 0.00 -0.01 0.00 0.00 64.34 64.19 3hsf n VAL 13 Cb 1.00 -0.16 0.89 0.00 -0.91 0.00 0.00 33.84 34.66 3hsf n VAL 13 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3hsf h ASN 14 N 0.00 0.00 -0.84 4.52 -0.73 -1.75 -3.43 115.58 113.35 3hsf h ASN 14 Ca 0.00 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 57.85 3hsf h ASN 14 Cb 0.64 0.00 -0.12 0.00 0.27 0.00 0.00 38.32 39.11 3hsf h ASN 14 CO 0.00 0.00 -0.30 0.47 -0.37 0.00 0.00 177.43 177.23 3hsf n ASP 15 N -3.23 -4.87 -0.01 1.15 8.00 -1.25 -4.86 116.55 111.48 3hsf n ASP 15 Ca -0.00 0.36 -0.13 0.00 0.71 0.00 0.00 54.79 55.73 3hsf n ASP 15 Cb 0.34 -3.76 -0.14 0.00 -0.02 0.00 0.00 41.12 37.54 3hsf n ASP 15 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 3hsf h LYS 16 N 0.00 0.10 0.00 -1.24 2.10 -1.87 -3.10 116.57 112.56 3hsf h LYS 16 Ca -0.32 -0.17 -0.31 0.00 -2.00 0.00 0.00 60.65 57.85 3hsf h LYS 16 Cb 1.04 0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 32.37 3hsf h LYS 16 CO 0.47 0.76 -2.17 -1.13 -2.00 0.00 0.00 179.45 175.38 3hsf n SER 17 N -3.21 1.79 -2.44 7.07 3.41 -1.26 -4.48 113.62 114.50 3hsf n SER 17 Ca -0.22 -0.07 -0.32 0.00 -0.26 0.00 0.00 58.87 58.00 3hsf n SER 17 Cb 1.05 0.17 0.04 0.00 -0.26 0.00 0.00 64.21 65.21 3hsf n SER 17 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hsf n ASN 18 N -2.91 6.47 0.31 4.04 0.23 -1.26 -4.73 115.26 117.41 3hsf n ASN 18 Ca -0.33 -3.78 0.19 0.00 -0.53 0.00 0.00 54.58 50.13 3hsf n ASN 18 Cb 0.95 -0.76 1.01 0.00 -2.08 0.00 0.00 39.78 38.90 3hsf n ASN 18 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3hsf h GLU 19 N 2.41 0.00 -0.95 -3.83 4.11 -1.76 -1.31 114.58 113.25 3hsf h GLU 19 Ca 0.49 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 59.28 3hsf h GLU 19 Cb 0.80 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.74 3hsf h GLU 19 CO 1.22 0.00 0.58 1.63 0.07 0.00 0.00 179.01 182.52 3hsf n LYS 20 N -3.16 2.77 0.00 1.06 5.02 -1.26 -4.74 118.16 117.86 3hsf n LYS 20 Ca -0.02 -3.40 0.00 0.00 -2.02 0.00 0.00 58.31 52.87 3hsf n LYS 20 Cb 0.22 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 3hsf n LYS 20 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3hsf n PHE 21 N -0.91 -0.34 -3.71 2.13 3.72 -0.50 -4.96 117.46 112.88 3hsf n PHE 21 Ca 0.59 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.78 3hsf n PHE 21 Cb 0.80 0.14 -0.01 0.00 -0.94 0.00 0.00 39.48 39.46 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 -0.27 4.96 0.15 4.37 2.07 -1.20 -4.20 121.20 127.08 3hsf s ILE 22 Ca 0.00 -0.86 -0.18 0.00 -1.41 0.00 0.00 60.65 58.20 3hsf s ILE 22 Cb 0.00 -3.76 0.04 0.00 0.13 0.00 0.00 42.46 38.87 3hsf s ILE 22 CO 0.00 -0.35 0.48 -1.00 -1.91 0.00 0.00 174.94 172.16 3hsf s HIS 23 N -2.11 -0.26 0.93 3.50 3.76 -1.18 -4.70 115.29 115.22 3hsf s HIS 23 Ca 0.38 -0.04 -0.14 0.00 -0.15 0.00 0.00 55.06 55.11 3hsf s HIS 23 Cb -0.09 0.36 0.16 0.00 1.11 0.00 0.00 32.58 34.11 3hsf s HIS 23 CO 0.31 -0.79 1.21 -1.58 -0.85 0.00 0.00 174.74 173.04 3hsf s TRP 24 N -3.81 2.15 0.00 1.40 0.52 -1.26 -2.18 118.94 115.76 3hsf s TRP 24 Ca 0.04 0.62 0.00 0.00 0.02 0.00 0.00 56.10 56.78 3hsf s TRP 24 Cb 0.00 -3.66 0.00 0.00 -1.15 0.00 0.00 33.47 28.67 3hsf s TRP 24 CO -0.10 -2.44 0.00 -1.13 0.02 0.00 0.00 176.95 173.30 3hsf n SER 25 N -3.73 -0.15 0.08 2.95 3.41 -0.42 -4.44 113.62 111.31 3hsf n SER 25 Ca 0.10 -0.57 -0.22 0.00 -0.26 0.00 0.00 58.87 57.93 3hsf n SER 25 Cb 0.60 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.40 3hsf n SER 25 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3hsf h THR 26 N -0.77 1.36 -0.00 6.66 2.02 -1.97 -3.26 112.91 116.95 3hsf h THR 26 Ca 0.00 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.60 3hsf h THR 26 Cb 0.00 3.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 3hsf h THR 26 CO 0.00 0.75 -0.03 -1.20 0.37 0.00 0.00 175.52 175.41 3hsf n SER 27 N -3.95 0.17 -1.79 4.18 7.64 -1.26 -4.94 113.62 113.67 3hsf n SER 27 Ca -0.17 -0.46 -0.01 0.00 1.01 0.00 0.00 58.87 59.24 3hsf n SER 27 Cb 0.93 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 3hsf n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hsf n GLY 28 N 1.22 -0.20 1.11 0.23 0.00 -1.23 -4.97 105.19 101.36 3hsf n GLY 28 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3hsf n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hsf n GLU 29 N -1.32 0.00 -0.61 1.61 2.13 -1.26 -4.94 120.64 116.25 3hsf n GLU 29 Ca -0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 3hsf n GLU 29 Cb 0.51 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.23 3hsf n GLU 29 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 3hsf n SER 30 N -2.17 0.10 -4.32 4.31 7.64 -1.26 -4.84 113.62 113.08 3hsf n SER 30 Ca 0.00 -1.11 -0.18 0.00 1.01 0.00 0.00 58.87 58.59 3hsf n SER 30 Cb 0.00 -0.09 -0.10 0.00 -1.01 0.00 0.00 64.21 63.00 3hsf n SER 30 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hsf s ILE 31 N -0.61 1.64 -0.03 0.44 1.01 -0.68 -1.30 121.20 121.67 3hsf s ILE 31 Ca 0.08 -2.11 -0.01 0.00 0.00 0.00 0.00 60.65 58.62 3hsf s ILE 31 Cb -0.00 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.55 3hsf s ILE 31 CO 0.06 -0.56 0.06 -0.69 0.00 0.00 0.00 174.94 173.81 3hsf s VAL 32 N -2.81 -0.07 -0.59 2.92 1.01 -0.92 -2.26 120.40 117.68 3hsf s VAL 32 Ca 0.20 0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.40 3hsf s VAL 32 Cb -0.01 -0.13 0.15 0.00 0.00 0.00 0.00 36.38 36.39 3hsf s VAL 32 CO 0.06 0.09 0.38 -0.69 0.00 0.00 0.00 175.10 174.94 3hsf s VAL 33 N 1.20 3.31 0.16 2.92 1.01 -0.66 -3.13 120.40 125.21 3hsf s VAL 33 Ca -0.08 -3.12 -0.02 0.00 0.00 0.00 0.00 61.98 58.76 3hsf s VAL 33 Cb -0.13 -3.20 -0.14 0.00 0.00 0.00 0.00 36.38 32.91 3hsf s VAL 33 CO -0.04 -0.85 1.37 1.55 0.00 0.00 0.00 175.10 177.13 3hsf h PRO 34 N 6.80 0.37 -2.99 2.72 0.13 -1.81 -3.12 132.00 134.09 3hsf h PRO 34 Ca -0.04 -0.35 -0.66 0.00 -0.87 0.00 0.00 66.00 64.08 3hsf h PRO 34 Cb 0.93 0.09 -0.39 0.00 0.13 0.00 0.00 31.00 31.76 3hsf h PRO 34 CO 0.70 1.02 -0.31 0.09 -0.23 0.00 0.00 178.00 179.27 3hsf n ASN 35 N -3.77 3.82 0.10 1.44 3.02 -1.26 -4.70 115.26 113.92 3hsf n ASN 35 Ca -0.05 -3.24 0.01 0.00 -0.03 0.00 0.00 54.58 51.26 3hsf n ASN 35 Cb 0.78 -0.88 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 3hsf n ASN 35 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3hsf h ARG 36 N 5.38 0.00 -0.36 3.52 2.43 -1.71 -2.36 114.38 121.28 3hsf h ARG 36 Ca 0.17 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3hsf h ARG 36 Cb 0.75 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 3hsf h ARG 36 CO 0.83 0.52 -0.11 1.05 -1.51 0.00 0.00 179.97 180.75 3hsf h GLU 37 N 0.00 0.63 0.00 0.20 4.11 -1.89 -3.08 114.58 114.56 3hsf h GLU 37 Ca -0.04 -0.19 -0.26 0.00 0.07 0.00 0.00 59.36 58.93 3hsf h GLU 37 Cb 1.49 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.62 3hsf h GLU 37 CO 0.07 0.72 -2.07 -2.13 0.07 0.00 0.00 179.01 175.68 3hsf n ARG 38 N -4.19 0.67 -0.34 1.06 0.63 -1.25 -4.11 116.66 109.13 3hsf n ARG 38 Ca 0.01 0.04 -0.01 0.00 -0.92 0.00 0.00 57.85 56.97 3hsf n ARG 38 Cb 0.34 -1.61 0.11 0.00 0.45 0.00 0.00 32.46 31.76 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 0.00 1.14 0.17 -0.14 3.04 -1.41 -2.18 116.94 117.55 3hsf h PHE 39 Ca -0.36 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.61 3hsf h PHE 39 Cb 1.90 -0.38 0.00 0.00 2.56 0.00 0.00 35.95 40.03 3hsf h PHE 39 CO 0.00 0.68 -0.08 0.28 -2.02 0.00 0.00 178.31 177.17 3hsf h VAL 40 N 1.20 0.89 -0.03 1.41 2.07 -1.73 0.14 116.25 120.21 3hsf h VAL 40 Ca 0.36 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.82 3hsf h VAL 40 Cb -0.05 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3hsf h VAL 40 CO -0.10 0.22 0.05 -0.61 0.02 0.00 0.00 177.57 177.14 3hsf h GLN 41 N -0.81 0.00 0.00 1.57 4.15 -1.70 -2.34 115.11 115.99 3hsf h GLN 41 Ca -0.02 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 3hsf h GLN 41 Cb 0.53 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 3hsf h GLN 41 CO 0.04 0.00 -1.05 0.39 -1.93 0.00 0.00 178.83 176.28 3hsf n GLU 42 N -3.55 0.05 0.00 1.69 -0.58 -0.83 -4.69 120.64 112.73 3hsf n GLU 42 Ca -0.02 0.02 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 3hsf n GLU 42 Cb 0.13 -0.59 0.65 0.00 -0.57 0.00 0.00 31.44 31.06 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 -3.15 0.05 -0.07 2.62 0.31 0.46 -3.00 118.33 115.56 3hsf n VAL 43 Ca -0.04 0.01 -0.11 0.00 -0.01 0.00 0.00 64.34 64.19 3hsf n VAL 43 Cb 0.49 -0.53 -0.07 0.00 -0.91 0.00 0.00 33.84 32.82 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 0.00 -1.45 7.52 5.85 -0.95 -3.35 115.31 122.93 3hsf h LEU 44 Ca 0.00 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 3hsf h LEU 44 Cb 0.42 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3hsf h LEU 44 CO 0.00 0.95 -0.13 1.55 -0.34 0.00 0.00 178.44 180.47 3hsf h PRO 45 N -1.00 0.00 -0.35 5.25 0.13 -1.69 -1.68 132.00 132.66 3hsf h PRO 45 Ca -0.08 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.15 3hsf h PRO 45 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 3hsf h PRO 45 CO -0.05 0.13 0.26 -0.22 -0.23 0.00 0.00 178.00 177.89 3hsf h LYS 46 N 0.00 0.00 0.00 0.86 3.64 -1.67 -3.30 116.57 116.10 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 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3hsf h LYS 46 CO 0.02 0.00 -0.50 0.66 -2.27 0.00 0.00 179.45 177.35 3hsf n TYR 47 N -4.34 0.00 -1.79 1.91 4.02 -1.07 -5.05 117.16 110.84 3hsf n TYR 47 Ca 0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.87 3hsf n TYR 47 Cb 0.44 -0.25 0.05 0.00 -0.02 0.00 0.00 39.34 39.56 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 -3.88 -3.64 0.01 -0.72 3.72 -0.65 -5.08 117.46 107.23 3hsf n PHE 48 Ca -0.07 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 56.91 3hsf n PHE 48 Cb 0.26 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 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 -1.66 0.00 -1.26 -1.08 0.00 -1.26 -4.28 118.16 108.61 3hsf n LYS 49 Ca 0.05 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.04 3hsf n LYS 49 Cb 0.17 -0.02 0.09 0.00 -0.00 0.00 0.00 35.03 35.27 3hsf n LYS 49 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3hsf n HIS 50 N -2.61 3.02 -1.77 5.58 8.25 -1.26 -4.86 115.22 121.57 3hsf n HIS 50 Ca 0.00 -2.77 0.00 0.00 -0.26 0.00 0.00 57.72 54.69 3hsf n HIS 50 Cb 0.00 -1.34 0.00 0.00 1.12 0.00 0.00 29.99 29.77 3hsf n HIS 50 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3hsf n SER 51 N -0.81 0.00 -3.59 0.41 3.41 -1.26 -5.14 113.62 106.65 3hsf n SER 51 Ca 0.59 -0.12 -0.05 0.00 -0.26 0.00 0.00 58.87 59.02 3hsf n SER 51 Cb 0.77 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.70 3hsf n SER 51 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hsf s ASN 52 N -1.00 -0.23 0.50 4.04 2.47 -1.26 -4.98 114.94 114.48 3hsf s ASN 52 Ca 0.00 -0.09 0.21 0.00 0.42 0.00 0.00 52.86 53.39 3hsf s ASN 52 Cb 0.00 0.32 1.28 0.00 -1.45 0.00 0.00 41.25 41.39 3hsf s ASN 52 CO 0.00 -0.54 2.01 2.19 -3.72 0.00 0.00 177.10 177.04 3hsf h PHE 53 N 2.00 0.12 -0.32 0.43 -5.15 -2.00 -0.28 116.94 111.75 3hsf h PHE 53 Ca -0.20 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.41 3hsf h PHE 53 Cb 1.22 -0.04 -0.01 0.00 0.22 0.00 0.00 35.95 37.34 3hsf h PHE 53 CO 0.29 0.06 -0.43 0.00 -2.00 0.00 0.00 178.31 176.23 3hsf h ALA 54 N 1.76 0.64 0.00 12.09 0.00 -2.00 -2.60 119.26 129.15 3hsf h ALA 54 Ca 0.23 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3hsf h ALA 54 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3hsf h ALA 54 CO -0.03 0.67 -0.31 0.77 0.00 0.00 0.00 179.25 180.36 3hsf h SER 55 N 0.64 0.00 -0.02 0.00 0.02 -1.46 -2.29 113.55 110.45 3hsf h SER 55 Ca 0.04 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 3hsf h SER 55 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 3hsf h SER 55 CO 0.10 0.31 -0.20 0.15 -1.14 0.00 0.00 176.83 176.05 3hsf h PHE 56 N 0.00 0.24 -0.01 3.45 3.57 -1.14 -2.46 116.94 120.58 3hsf h PHE 56 Ca -0.00 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.30 3hsf h PHE 56 Cb 0.82 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 3hsf h PHE 56 CO 0.00 0.87 -0.38 0.28 -2.23 0.00 0.00 178.31 176.85 3hsf h VAL 57 N -0.46 1.28 -0.11 1.41 2.07 -1.47 -2.51 116.25 116.46 3hsf h VAL 57 Ca -0.02 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.12 3hsf h VAL 57 Cb 0.91 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3hsf h VAL 57 CO 0.04 0.38 -0.14 -0.09 0.02 0.00 0.00 177.57 177.78 3hsf h ARG 58 N 0.01 0.29 -0.62 1.57 9.65 -1.44 -2.52 114.38 121.33 3hsf h ARG 58 Ca -0.00 -0.17 -0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3hsf h ARG 58 Cb 0.68 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.25 3hsf h ARG 58 CO 0.05 0.73 0.37 1.96 2.80 0.00 0.00 179.97 185.88 3hsf h GLN 59 N -0.13 0.83 -0.26 0.20 1.08 -1.33 -1.83 115.11 113.67 3hsf h GLN 59 Ca 0.01 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 3hsf h GLN 59 Cb 0.69 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 3hsf h GLN 59 CO 0.03 0.59 0.06 -0.07 -0.95 0.00 0.00 178.83 178.49 3hsf h LEU 60 N 0.85 0.41 -1.72 1.46 3.38 -1.38 -2.55 115.31 115.75 3hsf h LEU 60 Ca 0.22 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hsf h LEU 60 Cb -0.03 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3hsf h LEU 60 CO -0.04 0.54 -0.01 0.78 0.09 0.00 0.00 178.44 179.80 3hsf h ASN 61 N 0.26 0.00 0.74 -0.43 2.35 -1.00 -1.28 115.58 116.22 3hsf h ASN 61 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3hsf h ASN 61 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3hsf h ASN 61 CO 0.00 0.01 -0.29 0.23 -1.65 0.00 0.00 177.43 175.74 3hsf n MET 62 N -3.12 0.02 -0.10 0.81 2.81 -0.73 -4.25 117.12 112.56 3hsf n MET 62 Ca -0.00 0.01 -0.18 0.00 -1.81 0.00 0.00 57.70 55.71 3hsf n MET 62 Cb 0.27 -1.51 -0.07 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.54 0.00 0.00 2.03 4.01 -0.96 -5.01 117.16 115.69 3hsf n TYR 63 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 3hsf n TYR 63 Cb 0.34 -0.70 0.00 0.00 -0.31 0.00 0.00 39.34 38.67 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 2.06 0.00 3.55 2.72 0.00 -0.95 -5.14 105.19 107.44 3hsf n GLY 64 Ca -0.36 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 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 1.82 0.38 1.61 0.52 -0.52 -4.38 118.94 118.37 3hsf s TRP 65 Ca 0.00 -1.20 -0.10 0.00 0.02 0.00 0.00 56.10 54.82 3hsf s TRP 65 Cb 0.00 -1.25 0.04 0.00 -1.15 0.00 0.00 33.47 31.11 3hsf s TRP 65 CO 0.00 -0.17 0.69 -1.01 0.02 0.00 0.00 176.95 176.47 3hsf s HIS 66 N -3.15 0.49 -0.07 -1.98 3.76 -0.36 -4.40 115.29 109.57 3hsf s HIS 66 Ca 0.22 -1.02 -0.12 0.00 -0.15 0.00 0.00 55.06 53.99 3hsf s HIS 66 Cb 0.03 0.52 0.03 0.00 1.11 0.00 0.00 32.58 34.27 3hsf s HIS 66 CO 0.13 -1.45 0.31 -1.59 -0.85 0.00 0.00 174.74 171.28 3hsf s LYS 67 N -2.43 0.49 0.30 1.40 0.00 -1.26 -2.67 119.74 115.57 3hsf s LYS 67 Ca 0.21 0.16 0.09 0.00 0.00 0.00 0.00 55.97 56.43 3hsf s LYS 67 Cb -0.04 0.23 -0.04 0.00 0.00 0.00 0.00 37.83 37.98 3hsf s LYS 67 CO 0.15 -0.10 0.07 0.14 0.00 0.00 0.00 175.35 175.61 3hsf s VAL 68 N -0.49 3.33 -0.37 1.79 -7.23 -1.25 -4.87 120.40 111.32 3hsf s VAL 68 Ca -0.06 -1.79 -0.09 0.00 -1.81 0.00 0.00 61.98 58.23 3hsf s VAL 68 Cb -0.04 -2.94 0.01 0.00 0.56 0.00 0.00 36.38 33.97 3hsf s VAL 68 CO 0.02 -0.29 0.30 0.00 -0.31 0.00 0.00 175.10 174.82 3hsf n GLN 69 N -1.02 -2.89 -2.66 4.82 6.02 -1.26 -4.78 117.38 115.61 3hsf n GLN 69 Ca -0.05 2.42 -0.03 0.00 -0.01 0.00 0.00 57.00 59.33 3hsf n GLN 69 Cb 0.60 -5.42 0.08 0.00 1.02 0.00 0.00 30.24 26.53 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 0.21 -1.21 -4.28 1.08 2.03 -1.26 -4.97 116.55 108.15 3hsf n ASP 70 Ca 0.06 -1.83 -0.15 0.00 0.52 0.00 0.00 54.79 53.39 3hsf n ASP 70 Cb 0.25 1.12 -0.10 0.00 -0.72 0.00 0.00 41.12 41.67 3hsf n ASP 70 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3hsf s VAL 71 N 0.04 0.95 -0.53 5.18 -7.23 -1.26 -5.03 120.40 112.52 3hsf s VAL 71 Ca 0.16 -2.02 0.26 0.00 -1.81 0.00 0.00 61.98 58.57 3hsf s VAL 71 Cb 0.24 -2.13 0.28 0.00 0.56 0.00 0.00 36.38 35.34 3hsf s VAL 71 CO -0.16 -0.49 1.76 0.50 -0.31 0.00 0.00 175.10 176.40 3hsf h LYS 72 N 2.63 0.00 -3.42 4.82 1.63 -2.02 -3.35 116.57 116.86 3hsf h LYS 72 Ca -0.37 0.00 -0.75 0.00 -0.85 0.00 0.00 60.65 58.68 3hsf h LYS 72 Cb 1.21 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.70 3hsf h LYS 72 CO 0.64 0.00 2.20 0.43 -3.45 0.00 0.00 179.45 179.27 3hsf n SER 73 N -2.39 5.40 -3.41 4.20 7.64 -1.26 -4.76 113.62 119.03 3hsf n SER 73 Ca 0.04 -3.08 -0.27 0.00 1.01 0.00 0.00 58.87 56.56 3hsf n SER 73 Cb 0.34 -1.48 -0.11 0.00 -1.01 0.00 0.00 64.21 61.96 3hsf n SER 73 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3hsf s GLY 74 N 1.00 1.12 0.26 0.23 0.00 -1.26 -4.96 107.32 103.71 3hsf s GLY 74 Ca 0.42 -2.32 0.03 0.00 0.00 0.00 0.00 44.72 42.85 3hsf s GLY 74 CO -0.02 2.11 1.65 1.76 0.00 0.00 0.00 173.10 178.61 3hsf h SER 75 N 5.96 0.41 0.00 1.64 0.02 -1.93 -3.36 113.55 116.29 3hsf h SER 75 Ca 0.22 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3hsf h SER 75 Cb 0.92 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3hsf h SER 75 CO 0.35 0.78 0.00 0.23 -1.14 0.00 0.00 176.83 177.04 3hsf n MET 76 N -4.03 0.00 -2.02 3.45 2.81 -1.26 -4.63 117.12 111.44 3hsf n MET 76 Ca -0.02 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.45 3hsf n MET 76 Cb 0.49 -0.74 -0.03 0.00 -0.71 0.00 0.00 33.22 32.23 3hsf n MET 76 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3hsf s LEU 77 N -0.86 4.35 0.00 4.03 1.02 -1.26 -4.95 118.68 121.01 3hsf s LEU 77 Ca 0.00 2.37 0.00 0.00 0.02 0.00 0.00 54.13 56.52 3hsf s LEU 77 Cb 0.00 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.65 3hsf s LEU 77 CO 0.00 -0.83 0.40 -1.54 0.02 0.00 0.00 176.35 174.39 3hsf n SER 78 N 5.50 0.00 -3.45 2.29 3.41 -1.26 -4.76 113.62 115.35 3hsf n SER 78 Ca 0.15 0.40 -0.26 0.00 -0.26 0.00 0.00 58.87 58.90 3hsf n SER 78 Cb 0.41 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 3hsf n SER 78 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3hsf s ASN 79 N -1.97 2.56 0.40 4.04 0.01 -1.26 -4.94 114.94 113.79 3hsf s ASN 79 Ca 0.00 -1.85 0.00 0.00 -0.71 0.00 0.00 52.86 50.30 3hsf s ASN 79 Cb 0.00 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.54 3hsf s ASN 79 CO 0.00 -0.32 0.00 0.59 -1.51 0.00 0.00 177.10 175.86 3hsf n ASN 80 N 4.33 -7.35 0.02 -1.22 3.02 -1.26 -4.98 115.26 107.82 3hsf n ASN 80 Ca 0.09 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.81 3hsf n ASN 80 Cb 0.40 -3.35 0.00 0.00 -0.61 0.00 0.00 39.78 36.22 3hsf n ASN 80 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hsf n ASP 81 N -4.13 -0.29 0.00 6.41 2.03 -1.26 -5.06 116.55 114.26 3hsf n ASP 81 Ca 0.01 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.39 3hsf n ASP 81 Cb 0.50 0.61 0.00 0.00 -0.72 0.00 0.00 41.12 41.51 3hsf n ASP 81 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3hsf n SER 82 N -2.59 0.00 -4.74 1.67 7.64 -1.26 -5.06 113.62 109.29 3hsf n SER 82 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 3hsf n SER 82 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 3hsf n SER 82 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hsf s ARG 83 N 0.00 4.50 -0.12 1.43 0.52 -1.25 -4.00 118.95 120.03 3hsf s ARG 83 Ca 0.00 1.08 -0.03 0.00 -0.52 0.00 0.00 55.73 56.26 3hsf s ARG 83 Cb 0.00 -3.37 0.04 0.00 0.52 0.00 0.00 34.95 32.14 3hsf s ARG 83 CO 0.00 0.25 0.04 -1.58 0.02 0.00 0.00 175.30 174.03 3hsf s TRP 84 N 0.04 0.59 -0.01 -0.53 0.52 -1.18 -4.94 118.94 113.43 3hsf s TRP 84 Ca 0.39 -0.33 -0.01 0.00 0.02 0.00 0.00 56.10 56.18 3hsf s TRP 84 Cb -0.20 -0.80 -0.04 0.00 -1.15 0.00 0.00 33.47 31.28 3hsf s TRP 84 CO 0.23 -0.42 0.09 -1.21 0.02 0.00 0.00 176.95 175.65 3hsf s GLU 85 N 2.00 3.08 -0.26 4.98 2.02 -1.26 -1.65 118.70 127.62 3hsf s GLU 85 Ca 0.03 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.56 3hsf s GLU 85 Cb -0.14 -2.87 0.07 0.00 0.10 0.00 0.00 34.13 31.28 3hsf s GLU 85 CO -0.06 0.65 -0.04 -0.06 0.02 0.00 0.00 175.26 175.77 3hsf s PHE 86 N -1.20 2.61 0.33 1.61 0.08 -0.96 -3.91 117.98 116.55 3hsf s PHE 86 Ca 0.23 -1.98 0.04 0.00 0.12 0.00 0.00 56.93 55.35 3hsf s PHE 86 Cb -0.12 -1.79 0.06 0.00 -0.57 0.00 0.00 43.02 40.59 3hsf s PHE 86 CO 0.14 -0.82 0.46 0.39 -0.10 0.00 0.00 175.22 175.29 3hsf n GLU 87 N 4.61 0.68 -1.95 0.44 1.02 -1.09 -1.69 120.64 122.65 3hsf n GLU 87 Ca -0.10 -1.66 -0.02 0.00 -0.02 0.00 0.00 57.16 55.36 3hsf n GLU 87 Cb 0.43 -0.18 0.01 0.00 -0.02 0.00 0.00 31.44 31.69 3hsf n GLU 87 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3hsf n ASN 88 N -2.70 -0.68 -2.51 1.62 0.23 -1.26 -1.23 115.26 108.73 3hsf n ASN 88 Ca 0.09 -1.45 -0.00 0.00 -0.53 0.00 0.00 54.58 52.69 3hsf n ASN 88 Cb 0.33 1.13 -0.00 0.00 -2.08 0.00 0.00 39.78 39.15 3hsf n ASN 88 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 3hsf n GLU 89 N -0.18 -2.99 -3.47 -3.83 2.13 -1.26 -5.01 120.64 106.02 3hsf n GLU 89 Ca -0.02 2.46 -0.11 0.00 0.66 0.00 0.00 57.16 60.14 3hsf n GLU 89 Cb 0.19 -4.68 -0.03 0.00 0.27 0.00 0.00 31.44 27.19 3hsf n GLU 89 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3hsf s ARG 90 N -1.34 1.06 0.19 5.31 0.52 -1.26 -5.04 118.95 118.39 3hsf s ARG 90 Ca -0.01 -0.30 0.13 0.00 -0.52 0.00 0.00 55.73 55.03 3hsf s ARG 90 Cb 0.00 0.49 -0.05 0.00 0.52 0.00 0.00 34.95 35.91 3hsf s ARG 90 CO 0.66 -0.44 1.30 1.12 0.02 0.00 0.00 175.30 177.95 3hsf h HIS 91 N 2.14 0.00 0.00 -0.53 2.07 -2.05 -3.53 115.15 113.25 3hsf h HIS 91 Ca -0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.24 3hsf h HIS 91 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 3hsf h HIS 91 CO 0.26 0.68 0.00 0.00 -3.07 0.00 0.00 177.93 175.80