#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 2.25 0.29 0.00 1.81 -1.26 -5.07 118.95 116.98 3hsf s ARG 2 Ca 0.00 -0.02 -0.03 0.00 -1.72 0.00 0.00 55.73 53.97 3hsf s ARG 2 Cb 0.00 -2.08 -0.04 0.00 -0.45 0.00 0.00 34.95 32.37 3hsf s ARG 2 CO 0.00 -1.30 0.53 -1.25 -0.68 0.00 0.00 175.30 172.60 3hsf s PRO 3 N -5.36 3.57 0.52 3.54 0.04 -1.26 -4.97 135.00 131.08 3hsf s PRO 3 Ca 0.60 -0.15 0.35 0.00 0.04 0.00 0.00 61.00 61.84 3hsf s PRO 3 Cb -0.11 -2.68 1.67 0.00 0.04 0.00 0.00 34.50 33.42 3hsf s PRO 3 CO 0.47 0.22 2.04 0.00 0.04 0.00 0.00 177.00 179.77 3hsf h ALA 4 N 1.45 1.00 0.02 8.56 0.00 -1.99 -2.46 119.26 125.84 3hsf h ALA 4 Ca -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hsf h ALA 4 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3hsf h ALA 4 CO 0.65 0.00 -0.01 0.35 0.00 0.00 0.00 179.25 180.24 3hsf h PHE 5 N 0.00 -0.02 0.00 0.00 3.57 -1.99 -2.38 116.94 116.12 3hsf h PHE 5 Ca 0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3hsf h PHE 5 Cb 0.24 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 3hsf h PHE 5 CO 0.00 0.74 -0.07 0.28 -2.23 0.00 0.00 178.31 177.03 3hsf h VAL 6 N -0.94 0.37 0.15 1.41 2.07 -1.94 -2.11 116.25 115.27 3hsf h VAL 6 Ca -0.00 -0.39 -0.24 0.00 0.82 0.00 0.00 66.70 66.89 3hsf h VAL 6 Cb 0.76 1.28 0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3hsf h VAL 6 CO 0.00 0.07 -1.03 0.78 0.02 0.00 0.00 177.57 177.42 3hsf h ASN 7 N 0.00 0.64 1.06 0.57 4.21 -1.48 -3.26 115.58 117.31 3hsf h ASN 7 Ca -0.00 -0.91 -0.01 0.00 1.21 0.00 0.00 56.30 56.59 3hsf h ASN 7 Cb 0.28 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 37.27 3hsf h ASN 7 CO 0.01 1.49 -0.05 0.07 -1.29 0.00 0.00 177.43 177.66 3hsf h LYS 8 N -0.12 0.00 0.00 0.81 2.10 -1.10 -2.77 116.57 115.49 3hsf h LYS 8 Ca -0.17 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.40 3hsf h LYS 8 Cb 1.79 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.10 3hsf h LYS 8 CO 0.19 0.05 -0.36 1.25 -2.00 0.00 0.00 179.45 178.59 3hsf h LEU 9 N 0.00 0.00 -0.01 7.07 5.85 -1.43 -2.16 115.31 124.64 3hsf h LEU 9 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hsf h LEU 9 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3hsf h LEU 9 CO 0.01 0.36 0.00 0.79 -0.34 0.00 0.00 178.44 179.26 3hsf n TRP 10 N -3.87 0.14 -0.10 1.25 5.03 -1.04 -2.31 117.44 116.54 3hsf n TRP 10 Ca -0.01 0.04 -0.11 0.00 3.03 0.00 0.00 57.50 60.45 3hsf n TRP 10 Cb 0.42 -0.57 -0.15 0.00 -1.03 0.00 0.00 31.31 29.98 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 -1.62 0.31 0.02 -0.99 7.64 -0.86 -3.74 113.62 114.38 3hsf n SER 11 Ca 0.07 -0.02 -0.09 0.00 1.01 0.00 0.00 58.87 59.84 3hsf n SER 11 Cb 0.34 0.83 -0.13 0.00 -1.01 0.00 0.00 64.21 64.24 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 0.03 -0.02 1.43 -0.00 -1.49 -3.31 114.93 111.57 3hsf h MET 12 Ca -0.54 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.11 3hsf h MET 12 Cb 2.19 0.02 0.00 0.00 -0.00 0.00 0.00 31.60 33.81 3hsf h MET 12 CO 0.02 0.76 -0.01 0.28 -0.00 0.00 0.00 176.91 177.95 3hsf n VAL 13 N -3.21 0.00 0.30 -0.10 0.31 -0.98 -4.17 118.33 110.48 3hsf n VAL 13 Ca -0.11 -0.29 0.19 0.00 -0.01 0.00 0.00 64.34 64.12 3hsf n VAL 13 Cb 1.01 0.68 0.99 0.00 -0.91 0.00 0.00 33.84 35.61 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 2.75 0.00 0.00 4.52 -0.73 -1.66 -3.45 115.58 117.01 3hsf h ASN 14 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3hsf h ASN 14 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.18 3hsf h ASN 14 CO 0.00 0.00 0.00 -0.67 -0.37 0.00 0.00 177.43 176.39 3hsf n ASP 15 N -2.84 -1.63 -0.01 1.15 2.03 -1.26 -4.88 116.55 109.11 3hsf n ASP 15 Ca -0.02 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.28 3hsf n ASP 15 Cb 0.13 -1.06 -0.00 0.00 -0.72 0.00 0.00 41.12 39.46 3hsf n ASP 15 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3hsf h LYS 16 N 1.49 0.00 0.00 -0.67 3.64 -1.89 -2.81 116.57 116.33 3hsf h LYS 16 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3hsf h LYS 16 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3hsf h LYS 16 CO 0.00 0.00 -0.19 0.77 -2.27 0.00 0.00 179.45 177.76 3hsf h SER 17 N -0.18 0.00 -1.09 4.20 0.02 -1.90 -3.21 113.55 111.39 3hsf h SER 17 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 3hsf h SER 17 Cb 0.08 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.20 3hsf h SER 17 CO 0.00 0.19 -0.70 0.59 -1.14 0.00 0.00 176.83 175.77 3hsf n ASN 18 N -3.22 4.97 -0.06 3.07 4.13 -1.26 -4.84 115.26 118.05 3hsf n ASN 18 Ca 0.02 -3.74 -0.10 0.00 1.68 0.00 0.00 54.58 52.44 3hsf n ASN 18 Cb 0.51 -0.42 -0.03 0.00 -1.54 0.00 0.00 39.78 38.30 3hsf n ASN 18 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 3hsf h GLU 19 N 2.35 0.30 -0.89 3.52 4.81 -1.50 -2.49 114.58 120.68 3hsf h GLU 19 Ca 0.35 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 59.31 3hsf h GLU 19 Cb 1.24 -0.07 -0.15 0.00 0.63 0.00 0.00 28.75 30.41 3hsf h GLU 19 CO 0.83 0.21 0.32 1.17 -0.73 0.00 0.00 179.01 180.80 3hsf n LYS 20 N -4.92 2.60 0.00 1.92 3.00 -1.26 -4.02 118.16 115.47 3hsf n LYS 20 Ca -0.03 -2.24 0.00 0.00 -0.00 0.00 0.00 58.31 56.04 3hsf n LYS 20 Cb 0.03 -1.93 0.00 0.00 0.00 0.00 0.00 35.03 33.12 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 -0.30 0.00 -3.64 5.64 3.72 -0.96 -5.00 117.46 116.92 3hsf n PHE 21 Ca 0.36 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.73 3hsf n PHE 21 Cb 1.22 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.72 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 0.00 0.08 4.37 2.07 -1.07 -4.83 121.20 121.82 3hsf s ILE 22 Ca 0.00 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.11 3hsf s ILE 22 Cb 0.00 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.61 3hsf s ILE 22 CO 0.00 0.00 0.29 -2.28 -1.91 0.00 0.00 174.94 171.04 3hsf s HIS 23 N -1.07 -0.04 0.55 3.50 2.46 -1.24 -4.67 115.29 114.78 3hsf s HIS 23 Ca 0.08 -0.25 -0.07 0.00 0.47 0.00 0.00 55.06 55.29 3hsf s HIS 23 Cb -0.01 0.09 -0.02 0.00 -0.13 0.00 0.00 32.58 32.51 3hsf s HIS 23 CO -0.07 -0.58 0.87 -1.58 -2.47 0.00 0.00 174.74 170.92 3hsf s TRP 24 N -3.39 3.46 -0.65 3.88 0.52 -1.26 -2.42 118.94 119.09 3hsf s TRP 24 Ca 0.01 0.84 0.25 0.00 0.02 0.00 0.00 56.10 57.21 3hsf s TRP 24 Cb 0.02 -2.54 0.46 0.00 -1.15 0.00 0.00 33.47 30.26 3hsf s TRP 24 CO -0.09 -0.55 1.44 0.66 0.02 0.00 0.00 176.95 178.43 3hsf h SER 25 N -0.02 0.00 -4.00 2.95 4.64 -1.54 -3.45 113.55 112.12 3hsf h SER 25 Ca -0.46 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 3hsf h SER 25 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3hsf h SER 25 CO 0.61 0.07 -0.75 0.41 -0.87 0.00 0.00 176.83 176.31 3hsf n THR 26 N -2.19 -3.75 -2.41 2.95 -1.04 -1.26 -4.72 114.28 101.86 3hsf n THR 26 Ca 0.04 1.68 -0.20 0.00 -2.04 0.00 0.00 64.05 63.53 3hsf n THR 26 Cb 0.44 -2.43 -0.01 0.00 -1.82 0.00 0.00 70.33 66.51 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 -1.42 -5.62 0.00 8.00 2.88 -1.26 -4.88 113.62 111.33 3hsf n SER 27 Ca 0.00 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 3hsf n SER 27 Cb 0.13 -4.69 0.00 0.00 -0.75 0.00 0.00 64.21 58.91 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 -0.98 2.35 2.86 0.46 0.00 -1.26 -5.04 105.19 103.57 3hsf n GLY 28 Ca -0.23 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.60 3.85 -4.40 1.61 2.13 -1.26 -4.47 120.64 117.50 3hsf n GLU 29 Ca 0.00 -3.70 -0.21 0.00 0.66 0.00 0.00 57.16 53.91 3hsf n GLU 29 Cb 0.00 -2.83 -0.10 0.00 0.27 0.00 0.00 31.44 28.78 3hsf n GLU 29 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3hsf s SER 30 N 0.35 2.79 0.12 4.31 0.01 -1.26 -3.41 113.70 116.61 3hsf s SER 30 Ca 0.39 -1.11 0.08 0.00 1.31 0.00 0.00 55.95 56.61 3hsf s SER 30 Cb 0.10 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 3hsf s SER 30 CO 0.01 -0.24 -0.19 -0.63 0.41 0.00 0.00 173.24 172.60 3hsf s ILE 31 N -2.95 1.66 -0.08 1.44 1.01 -0.97 -1.69 121.20 119.63 3hsf s ILE 31 Ca 0.27 -1.67 0.01 0.00 0.00 0.00 0.00 60.65 59.26 3hsf s ILE 31 Cb 0.01 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.89 3hsf s ILE 31 CO 0.10 -0.20 -0.09 -0.69 0.00 0.00 0.00 174.94 174.06 3hsf s VAL 32 N -1.57 1.01 -0.72 2.92 1.01 -1.01 -2.47 120.40 119.56 3hsf s VAL 32 Ca 0.09 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 3hsf s VAL 32 Cb -0.08 -0.97 0.19 0.00 0.00 0.00 0.00 36.38 35.51 3hsf s VAL 32 CO 0.05 0.34 0.58 -0.69 0.00 0.00 0.00 175.10 175.38 3hsf s VAL 33 N 1.11 4.33 0.30 2.92 1.01 -1.01 -3.62 120.40 125.43 3hsf s VAL 33 Ca -0.06 -2.97 0.20 0.00 0.00 0.00 0.00 61.98 59.14 3hsf s VAL 33 Cb -0.14 -3.75 0.18 0.00 0.00 0.00 0.00 36.38 32.67 3hsf s VAL 33 CO -0.01 -0.95 1.87 1.55 0.00 0.00 0.00 175.10 177.56 3hsf h PRO 34 N 7.07 0.00 -3.09 2.72 0.13 -1.87 -3.12 132.00 133.84 3hsf h PRO 34 Ca 0.04 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.57 3hsf h PRO 34 Cb 0.96 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.69 3hsf h PRO 34 CO 0.74 0.28 -0.75 -0.80 -0.23 0.00 0.00 178.00 177.25 3hsf s ASN 35 N -6.48 3.69 0.23 1.44 0.01 -1.26 -4.62 114.94 107.95 3hsf s ASN 35 Ca -0.02 -2.41 0.15 0.00 -0.71 0.00 0.00 52.86 49.88 3hsf s ASN 35 Cb 0.13 -0.97 0.01 0.00 0.41 0.00 0.00 41.25 40.82 3hsf s ASN 35 CO 0.66 -0.30 1.31 0.08 -1.51 0.00 0.00 177.10 177.35 3hsf h ARG 36 N 7.01 0.00 -0.06 -0.60 0.11 -1.81 -1.86 114.38 117.17 3hsf h ARG 36 Ca -0.03 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.83 3hsf h ARG 36 Cb 0.95 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 3hsf h ARG 36 CO 0.46 0.50 -0.85 1.49 0.10 0.00 0.00 179.97 181.67 3hsf h GLU 37 N 0.00 0.54 0.00 0.08 4.57 -1.93 -2.32 114.58 115.52 3hsf h GLU 37 Ca -0.03 -0.50 -0.27 0.00 -1.18 0.00 0.00 59.36 57.37 3hsf h GLU 37 Cb 1.45 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 30.12 3hsf h GLU 37 CO 0.07 1.13 -1.51 -0.09 -1.18 0.00 0.00 179.01 177.42 3hsf h ARG 38 N 0.34 0.00 0.18 1.92 2.43 -1.98 -3.26 114.38 114.02 3hsf h ARG 38 Ca -0.07 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3hsf h ARG 38 Cb 1.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 3hsf h ARG 38 CO 0.16 0.64 -0.09 0.35 -1.51 0.00 0.00 179.97 179.52 3hsf h PHE 39 N 0.00 -0.23 -0.76 2.20 3.04 -1.39 -1.65 116.94 118.14 3hsf h PHE 39 Ca -0.21 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 61.82 3hsf h PHE 39 Cb 1.95 0.08 -0.07 0.00 2.56 0.00 0.00 35.95 40.46 3hsf h PHE 39 CO 0.00 0.17 0.42 0.28 -2.02 0.00 0.00 178.31 177.16 3hsf h VAL 40 N -0.74 0.89 0.00 1.41 2.07 -1.58 0.82 116.25 119.12 3hsf h VAL 40 Ca -0.03 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3hsf h VAL 40 Cb 0.51 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3hsf h VAL 40 CO 0.04 0.13 -0.20 -0.61 0.02 0.00 0.00 177.57 176.95 3hsf h GLN 41 N 0.71 0.00 0.00 1.57 4.15 -1.60 -2.47 115.11 117.47 3hsf h GLN 41 Ca 0.37 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.79 3hsf h GLN 41 Cb 0.35 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3hsf h GLN 41 CO -0.25 0.20 -0.17 0.39 -1.93 0.00 0.00 178.83 177.06 3hsf n GLU 42 N -3.24 1.30 0.00 1.69 -0.58 -0.57 -4.80 120.64 114.44 3hsf n GLU 42 Ca 0.01 -2.71 0.00 0.00 -0.42 0.00 0.00 57.16 54.04 3hsf n GLU 42 Cb 0.50 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 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 -1.27 0.00 0.17 2.62 0.31 0.27 -4.85 118.33 115.59 3hsf n VAL 43 Ca 0.16 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.35 3hsf n VAL 43 Cb 0.66 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.51 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 -0.34 -1.55 7.52 5.85 -1.41 -2.90 115.31 122.49 3hsf h LEU 44 Ca 0.00 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 3hsf h LEU 44 Cb 0.00 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3hsf h LEU 44 CO 0.00 -0.09 -0.12 1.55 -0.34 0.00 0.00 178.44 179.44 3hsf h PRO 45 N -0.59 0.00 -0.10 5.25 0.13 -1.78 -2.37 132.00 132.54 3hsf h PRO 45 Ca -0.04 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.12 3hsf h PRO 45 Cb 0.43 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 3hsf h PRO 45 CO 0.07 0.12 0.14 -0.22 -0.23 0.00 0.00 178.00 177.88 3hsf h LYS 46 N 0.00 0.00 0.00 0.86 1.63 -1.84 -3.28 116.57 113.94 3hsf h LYS 46 Ca -0.00 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 3hsf h LYS 46 Cb 0.52 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 3hsf h LYS 46 CO 0.02 0.00 -0.92 0.66 -3.45 0.00 0.00 179.45 175.75 3hsf n TYR 47 N -3.66 0.00 -2.49 1.91 4.02 -1.05 -5.05 117.16 110.84 3hsf n TYR 47 Ca -0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.64 3hsf n TYR 47 Cb 0.24 -0.31 0.13 0.00 -0.02 0.00 0.00 39.34 39.38 3hsf n TYR 47 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3hsf s PHE 48 N -2.34 1.41 0.00 -0.72 0.08 -0.92 -5.08 117.98 110.41 3hsf s PHE 48 Ca -0.15 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 56.67 3hsf s PHE 48 Cb 0.04 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.29 3hsf s PHE 48 CO 0.20 -1.96 0.00 1.63 -0.10 0.00 0.00 175.22 175.00 3hsf n LYS 49 N -3.03 0.00 -3.35 0.44 4.01 -1.26 -4.44 118.16 110.53 3hsf n LYS 49 Ca 0.16 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.56 3hsf n LYS 49 Cb 0.60 -0.17 -0.03 0.00 -0.51 0.00 0.00 35.03 34.93 3hsf n LYS 49 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 3hsf n HIS 50 N -2.01 3.92 -4.52 2.13 8.25 -1.26 -4.87 115.22 116.87 3hsf n HIS 50 Ca 0.00 -3.64 -0.23 0.00 -0.26 0.00 0.00 57.72 53.59 3hsf n HIS 50 Cb 0.00 -1.27 -0.05 0.00 1.12 0.00 0.00 29.99 29.78 3hsf n HIS 50 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hsf n SER 51 N 1.97 2.42 -3.74 0.41 7.64 -1.26 -5.16 113.62 115.91 3hsf n SER 51 Ca 0.25 -2.72 -0.10 0.00 1.01 0.00 0.00 58.87 57.31 3hsf n SER 51 Cb 0.37 0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 63.98 3hsf n SER 51 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3hsf s ASN 52 N -3.09 -0.20 0.27 6.43 3.84 -1.26 -5.01 114.94 115.91 3hsf s ASN 52 Ca 0.06 -0.48 -0.01 0.00 0.21 0.00 0.00 52.86 52.64 3hsf s ASN 52 Cb 0.00 0.52 0.52 0.00 -0.55 0.00 0.00 41.25 41.74 3hsf s ASN 52 CO 0.04 -0.96 1.79 2.19 -2.79 0.00 0.00 177.10 177.38 3hsf h PHE 53 N 2.31 0.91 -0.93 0.43 -0.00 -2.00 -0.43 116.94 117.23 3hsf h PHE 53 Ca -0.31 0.03 0.04 0.00 -0.00 0.00 0.00 57.97 57.73 3hsf h PHE 53 Cb 1.25 -0.27 -0.06 0.00 -0.00 0.00 0.00 35.95 36.88 3hsf h PHE 53 CO 0.35 0.30 0.60 0.00 -0.00 0.00 0.00 178.31 179.56 3hsf h ALA 54 N 1.53 1.23 -0.43 12.09 0.00 -2.00 -0.96 119.26 130.73 3hsf h ALA 54 Ca 0.46 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 3hsf h ALA 54 Cb 0.56 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hsf h ALA 54 CO -0.31 0.46 0.07 1.03 0.00 0.00 0.00 179.25 180.50 3hsf h SER 55 N 1.16 0.62 -0.19 0.00 0.87 -1.49 -1.76 113.55 112.76 3hsf h SER 55 Ca 0.37 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.78 3hsf h SER 55 Cb 0.02 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3hsf h SER 55 CO -0.13 0.64 -0.00 0.15 -0.53 0.00 0.00 176.83 176.97 3hsf h PHE 56 N 0.64 0.47 -0.23 2.24 3.04 -0.64 -2.36 116.94 120.09 3hsf h PHE 56 Ca 0.14 -0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.96 3hsf h PHE 56 Cb 0.30 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.67 3hsf h PHE 56 CO 0.01 0.47 -0.19 0.28 -2.02 0.00 0.00 178.31 176.86 3hsf h VAL 57 N 0.44 1.32 -0.40 1.41 2.07 -0.77 -2.79 116.25 117.52 3hsf h VAL 57 Ca 0.10 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 3hsf h VAL 57 Cb 0.29 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3hsf h VAL 57 CO 0.01 0.41 0.21 0.03 0.02 0.00 0.00 177.57 178.25 3hsf h ARG 58 N 0.23 0.55 0.23 1.57 2.47 -1.14 -2.56 114.38 115.74 3hsf h ARG 58 Ca 0.04 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 3hsf h ARG 58 Cb 0.73 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 3hsf h ARG 58 CO 0.05 0.42 -0.11 1.96 0.56 0.00 0.00 179.97 182.84 3hsf h GLN 59 N 0.56 -0.30 -0.74 0.04 1.08 -1.31 -1.73 115.11 112.71 3hsf h GLN 59 Ca 0.14 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.47 3hsf h GLN 59 Cb 0.03 0.07 -0.08 0.00 -0.05 0.00 0.00 27.48 27.45 3hsf h GLN 59 CO -0.02 0.00 0.37 -0.07 -0.95 0.00 0.00 178.83 178.15 3hsf h LEU 60 N -0.61 0.47 -0.96 1.46 3.38 -1.27 -0.57 115.31 117.22 3hsf h LEU 60 Ca -0.03 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3hsf h LEU 60 Cb 0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3hsf h LEU 60 CO 0.05 0.26 -0.28 -1.13 0.09 0.00 0.00 178.44 177.43 3hsf h ASN 61 N 0.61 0.00 -0.29 -0.43 -0.73 -1.44 -2.45 115.58 110.84 3hsf h ASN 61 Ca 0.37 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.54 3hsf h ASN 61 Cb 0.41 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.00 3hsf h ASN 61 CO -0.29 0.28 0.00 0.23 -0.37 0.00 0.00 177.43 177.29 3hsf n MET 62 N -3.41 1.87 0.00 6.67 2.81 -0.27 -4.39 117.12 120.40 3hsf n MET 62 Ca 0.00 -1.33 0.00 0.00 -1.81 0.00 0.00 57.70 54.56 3hsf n MET 62 Cb 0.48 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 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 0.56 0.00 0.00 2.03 4.01 -0.92 -5.04 117.16 117.80 3hsf n TYR 63 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 3hsf n TYR 63 Cb 0.35 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 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 3.04 0.39 3.61 2.72 0.00 -1.09 -5.13 105.19 108.74 3hsf n GLY 64 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 0.78 -0.01 1.61 7.02 -0.94 -4.75 117.44 121.15 3hsf n TRP 65 Ca 0.00 0.45 0.00 0.00 -1.02 0.00 0.00 57.50 56.93 3hsf n TRP 65 Cb 0.00 -2.14 0.01 0.00 -2.42 0.00 0.00 31.31 26.76 3hsf n TRP 65 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 3hsf n HIS 66 N -1.57 0.02 -0.91 -5.99 8.25 -1.07 -4.31 115.22 109.64 3hsf n HIS 66 Ca 0.13 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 3hsf n HIS 66 Cb 0.46 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.53 3hsf n HIS 66 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3hsf n LYS 67 N -0.41 0.00 -1.56 -0.41 3.00 -1.21 -4.62 118.16 112.95 3hsf n LYS 67 Ca 0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.02 3hsf n LYS 67 Cb 0.24 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.36 3hsf n LYS 67 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3hsf s VAL 68 N 0.00 3.06 -0.67 3.15 1.01 -1.26 -4.24 120.40 121.45 3hsf s VAL 68 Ca 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.32 3hsf s VAL 68 Cb 0.00 -3.10 0.41 0.00 0.00 0.00 0.00 36.38 33.69 3hsf s VAL 68 CO 0.00 -0.45 1.82 0.00 0.00 0.00 0.00 175.10 176.47 3hsf n GLN 69 N -3.43 2.92 -4.15 2.72 6.02 -1.26 -4.92 117.38 115.28 3hsf n GLN 69 Ca 0.07 -3.64 -0.40 0.00 -0.01 0.00 0.00 57.00 53.02 3hsf n GLN 69 Cb 0.56 -2.28 -0.02 0.00 1.02 0.00 0.00 30.24 29.53 3hsf n GLN 69 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3hsf n ASP 70 N -0.69 -2.28 -3.72 1.08 5.68 -1.26 -4.96 116.55 110.41 3hsf n ASP 70 Ca 0.54 -1.28 -0.12 0.00 -0.50 0.00 0.00 54.79 53.43 3hsf n ASP 70 Cb 0.53 -1.73 -0.11 0.00 -1.14 0.00 0.00 41.12 38.67 3hsf n ASP 70 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3hsf s VAL 71 N -3.84 -0.01 -1.38 2.12 -7.23 -1.26 -4.89 120.40 103.91 3hsf s VAL 71 Ca 0.31 0.05 -0.08 0.00 -1.81 0.00 0.00 61.98 60.45 3hsf s VAL 71 Cb -0.17 -0.57 0.01 0.00 0.56 0.00 0.00 36.38 36.21 3hsf s VAL 71 CO 0.98 0.02 1.09 1.17 -0.31 0.00 0.00 175.10 178.05 3hsf n LYS 72 N 3.57 -7.48 0.00 4.82 4.81 -1.26 -4.94 118.16 117.67 3hsf n LYS 72 Ca -0.18 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 3hsf n LYS 72 Cb 0.56 -5.85 0.00 0.00 0.02 0.00 0.00 35.03 29.76 3hsf n LYS 72 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3hsf n SER 73 N -2.91 0.00 -1.20 3.14 2.88 -1.26 -4.96 113.62 109.31 3hsf n SER 73 Ca -0.01 0.19 -0.07 0.00 -1.33 0.00 0.00 58.87 57.65 3hsf n SER 73 Cb 0.57 -0.35 0.01 0.00 -0.75 0.00 0.00 64.21 63.70 3hsf n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hsf n GLY 74 N 1.99 0.36 2.80 0.46 0.00 -1.26 -2.67 105.19 106.87 3hsf n GLY 74 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3hsf n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hsf n SER 75 N 0.35 -3.27 -2.24 1.61 7.64 -1.26 -3.49 113.62 112.96 3hsf n SER 75 Ca -0.02 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.76 3hsf n SER 75 Cb 0.53 -1.83 -0.01 0.00 -1.01 0.00 0.00 64.21 61.89 3hsf n SER 75 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3hsf n MET 76 N -1.24 -2.16 0.00 1.43 0.00 -1.09 -4.87 117.12 109.20 3hsf n MET 76 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 57.70 58.21 3hsf n MET 76 Cb 0.19 -5.01 0.00 0.00 0.00 0.00 0.00 33.22 28.39 3hsf n MET 76 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3hsf n LEU 77 N -2.55 0.92 -3.75 4.03 4.77 -1.23 -4.49 117.00 114.70 3hsf n LEU 77 Ca -0.12 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.62 3hsf n LEU 77 Cb 0.54 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.67 3hsf n LEU 77 CO 0.14 0.00 0.06 -1.20 -1.33 0.00 0.00 177.39 175.06 3hsf n SER 78 N -0.58 -3.44 -3.27 -1.43 7.64 -1.26 -2.57 113.62 108.71 3hsf n SER 78 Ca 0.00 -0.75 -0.15 0.00 1.01 0.00 0.00 58.87 58.98 3hsf n SER 78 Cb 0.00 -4.22 0.07 0.00 -1.01 0.00 0.00 64.21 59.04 3hsf n SER 78 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3hsf n ASN 79 N -2.97 -6.63 0.00 6.43 4.13 -1.26 -4.93 115.26 110.04 3hsf n ASN 79 Ca -0.12 -0.70 0.00 0.00 1.68 0.00 0.00 54.58 55.44 3hsf n ASN 79 Cb 0.60 -5.10 0.00 0.00 -1.54 0.00 0.00 39.78 33.74 3hsf n ASN 79 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3hsf n ASN 80 N -3.13 0.03 0.00 6.41 4.13 -1.06 -5.03 115.26 116.61 3hsf n ASN 80 Ca -0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.19 3hsf n ASN 80 Cb 0.61 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.85 3hsf n ASN 80 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3hsf n ASP 81 N -2.07 -3.10 0.00 6.41 -0.08 -1.26 -4.82 116.55 111.64 3hsf n ASP 81 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3hsf n ASP 81 Cb 0.01 -1.77 0.00 0.00 2.34 0.00 0.00 41.12 41.70 3hsf n ASP 81 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3hsf n SER 82 N -0.35 0.00 -3.25 1.67 7.64 -1.26 -4.97 113.62 113.10 3hsf n SER 82 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 3hsf n SER 82 Cb 0.17 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.00 0.69 0.40 1.43 3.52 -1.25 -4.31 118.95 119.43 3hsf s ARG 83 Ca 0.00 -0.26 0.08 0.00 -0.13 0.00 0.00 55.73 55.42 3hsf s ARG 83 Cb 0.00 -0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.25 3hsf s ARG 83 CO 0.00 -1.15 0.51 -1.58 -0.81 0.00 0.00 175.30 172.27 3hsf s TRP 84 N 1.96 2.85 -0.28 5.12 0.52 -1.18 -4.94 118.94 122.99 3hsf s TRP 84 Ca 0.15 -0.38 -0.02 0.00 0.02 0.00 0.00 56.10 55.87 3hsf s TRP 84 Cb -0.09 -2.26 0.17 0.00 -1.15 0.00 0.00 33.47 30.14 3hsf s TRP 84 CO -0.11 -0.28 0.53 -2.00 0.02 0.00 0.00 176.95 175.10 3hsf s GLU 85 N -4.27 0.49 -0.14 4.98 2.12 -1.26 -2.42 118.70 118.20 3hsf s GLU 85 Ca 0.52 0.87 -0.22 0.00 0.36 0.00 0.00 54.97 56.49 3hsf s GLU 85 Cb -0.09 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.50 3hsf s GLU 85 CO 0.32 -0.61 0.67 -0.06 -0.54 0.00 0.00 175.26 175.04 3hsf s PHE 86 N 2.75 3.46 -0.01 5.30 0.08 -1.03 -4.38 117.98 124.16 3hsf s PHE 86 Ca 0.17 1.08 0.01 0.00 0.12 0.00 0.00 56.93 58.31 3hsf s PHE 86 Cb -0.15 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.45 3hsf s PHE 86 CO -0.19 -0.06 0.02 -1.21 -0.10 0.00 0.00 175.22 173.68 3hsf s GLU 87 N 1.44 2.86 0.15 0.44 2.02 -1.26 -2.28 118.70 122.07 3hsf s GLU 87 Ca 0.33 -0.57 0.08 0.00 0.02 0.00 0.00 54.97 54.83 3hsf s GLU 87 Cb -0.16 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 3hsf s GLU 87 CO 0.13 0.64 -0.06 1.21 0.02 0.00 0.00 175.26 177.20 3hsf s ASN 88 N -1.54 4.50 -1.04 -0.19 2.47 -1.22 -2.61 114.94 115.30 3hsf s ASN 88 Ca 0.20 -0.44 -0.05 0.00 0.42 0.00 0.00 52.86 52.98 3hsf s ASN 88 Cb -0.12 -0.87 0.27 0.00 -1.45 0.00 0.00 41.25 39.08 3hsf s ASN 88 CO 0.10 0.13 1.13 1.21 -3.72 0.00 0.00 177.10 175.95 3hsf n GLU 89 N 0.22 3.55 -0.56 0.43 2.13 -1.26 -4.81 120.64 120.34 3hsf n GLU 89 Ca -0.11 -4.50 0.04 0.00 0.66 0.00 0.00 57.16 53.25 3hsf n GLU 89 Cb 0.54 -2.49 0.25 0.00 0.27 0.00 0.00 31.44 30.01 3hsf n GLU 89 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hsf n ARG 90 N 2.14 3.43 -3.82 5.31 1.74 -1.26 -4.85 116.66 119.35 3hsf n ARG 90 Ca 0.24 -1.97 -0.13 0.00 -0.77 0.00 0.00 57.85 55.23 3hsf n ARG 90 Cb 0.37 -1.98 -0.14 0.00 -1.02 0.00 0.00 32.46 29.70 3hsf n ARG 90 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3hsf s HIS 91 N -2.09 -0.10 0.00 -1.55 -3.43 -1.26 -5.17 115.29 101.68 3hsf s HIS 91 Ca 0.34 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.88 3hsf s HIS 91 Cb 0.26 -0.01 0.00 0.00 -1.43 0.00 0.00 32.58 31.40 3hsf s HIS 91 CO 0.10 -0.07 0.00 0.00 -2.00 0.00 0.00 174.74 172.77