#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 1.56 0.67 0.00 1.81 -1.26 -5.13 118.95 116.61 3hsf s ARG 2 Ca 0.00 -0.54 -0.13 0.00 -1.72 0.00 0.00 55.73 53.34 3hsf s ARG 2 Cb 0.00 -1.38 0.00 0.00 -0.45 0.00 0.00 34.95 33.12 3hsf s ARG 2 CO 0.00 0.23 1.08 -1.25 -0.68 0.00 0.00 175.30 174.68 3hsf s PRO 3 N 0.03 2.83 0.45 3.54 0.04 -1.26 -4.93 135.00 135.70 3hsf s PRO 3 Ca -0.03 1.22 0.22 0.00 0.04 0.00 0.00 61.00 62.45 3hsf s PRO 3 Cb -0.10 -1.97 1.06 0.00 0.04 0.00 0.00 34.50 33.53 3hsf s PRO 3 CO 0.02 -1.20 1.92 0.00 0.04 0.00 0.00 177.00 177.77 3hsf h ALA 4 N -0.26 1.22 0.09 8.56 0.00 -2.00 -2.69 119.26 124.19 3hsf h ALA 4 Ca -0.46 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 3hsf h ALA 4 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hsf h ALA 4 CO 0.55 0.30 -0.04 0.35 0.00 0.00 0.00 179.25 180.40 3hsf h PHE 5 N 0.00 -0.11 -0.58 0.00 3.57 -1.99 -2.61 116.94 115.22 3hsf h PHE 5 Ca -0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 3hsf h PHE 5 Cb 0.57 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 3hsf h PHE 5 CO 0.00 0.42 0.38 0.28 -2.23 0.00 0.00 178.31 177.16 3hsf h VAL 6 N -0.83 1.07 -0.25 1.41 2.07 -1.95 -0.90 116.25 116.89 3hsf h VAL 6 Ca -0.01 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3hsf h VAL 6 Cb 0.59 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3hsf h VAL 6 CO 0.02 0.12 0.08 0.78 0.02 0.00 0.00 177.57 178.59 3hsf h ASN 7 N 0.67 0.36 0.48 0.57 -0.26 -1.52 -1.91 115.58 113.97 3hsf h ASN 7 Ca 0.23 -0.20 -0.02 0.00 -0.56 0.00 0.00 56.30 55.76 3hsf h ASN 7 Cb 0.09 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3hsf h ASN 7 CO -0.06 0.46 -0.07 0.11 -1.06 0.00 0.00 177.43 176.81 3hsf h LYS 8 N 0.23 0.00 0.38 0.81 1.57 -0.93 -1.63 116.57 117.00 3hsf h LYS 8 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3hsf h LYS 8 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3hsf h LYS 8 CO -0.00 0.07 -0.18 1.25 -0.57 0.00 0.00 179.45 180.02 3hsf h LEU 9 N 0.00 -0.43 -2.30 2.94 5.85 -0.41 -3.00 115.31 117.96 3hsf h LEU 9 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3hsf h LEU 9 Cb 0.33 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3hsf h LEU 9 CO 0.01 -0.16 0.00 -0.50 -0.34 0.00 0.00 178.44 177.45 3hsf h TRP 10 N -0.81 0.00 -0.09 1.25 -0.00 -1.41 -2.17 115.95 112.72 3hsf h TRP 10 Ca -0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.70 3hsf h TRP 10 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.54 3hsf h TRP 10 CO 0.04 0.00 -0.56 0.77 -0.00 0.00 0.00 178.44 178.69 3hsf h SER 11 N 0.00 0.32 0.00 -3.49 0.02 -1.22 -1.54 113.55 107.63 3hsf h SER 11 Ca 0.00 -0.17 -0.24 0.00 -0.84 0.00 0.00 61.79 60.54 3hsf h SER 11 Cb 0.12 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 3hsf h SER 11 CO 0.00 0.81 -1.32 0.23 -1.14 0.00 0.00 176.83 175.41 3hsf n MET 12 N -3.91 0.57 -0.12 3.45 2.81 -0.85 -3.18 117.12 115.87 3hsf n MET 12 Ca -0.02 0.57 -0.10 0.00 -1.81 0.00 0.00 57.70 56.33 3hsf n MET 12 Cb 0.59 -1.74 -0.02 0.00 -0.71 0.00 0.00 33.22 31.34 3hsf n MET 12 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 3hsf h VAL 13 N -1.00 1.23 -0.00 2.03 3.04 -1.59 -2.64 116.25 117.32 3hsf h VAL 13 Ca -0.36 -0.81 0.00 0.00 -1.01 0.00 0.00 66.70 64.51 3hsf h VAL 13 Cb 1.32 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 3hsf h VAL 13 CO -0.22 0.28 -0.01 -3.20 -1.01 0.00 0.00 177.57 173.41 3hsf n ASN 14 N -4.58 0.11 -4.76 3.17 4.05 -0.58 -4.17 115.26 108.50 3hsf n ASN 14 Ca -0.01 -0.81 -0.32 0.00 0.45 0.00 0.00 54.58 53.89 3hsf n ASN 14 Cb 0.22 -0.07 0.08 0.00 1.23 0.00 0.00 39.78 41.24 3hsf n ASN 14 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3hsf s ASP 15 N -2.16 4.57 0.03 1.20 2.15 -1.00 -4.95 116.67 116.51 3hsf s ASP 15 Ca 0.42 1.93 0.11 0.00 0.43 0.00 0.00 52.55 55.44 3hsf s ASP 15 Cb 0.21 -2.54 -0.20 0.00 -0.30 0.00 0.00 42.92 40.10 3hsf s ASP 15 CO 0.39 -1.99 0.90 0.50 -0.17 0.00 0.00 175.17 174.80 3hsf h LYS 16 N -0.77 0.00 -0.14 4.34 3.64 -1.89 -2.78 116.57 118.96 3hsf h LYS 16 Ca -0.45 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.74 3hsf h LYS 16 Cb 1.24 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3hsf h LYS 16 CO 0.51 0.62 -0.69 0.66 -2.27 0.00 0.00 179.45 178.28 3hsf h SER 17 N 0.00 0.69 -0.63 4.20 4.64 -1.92 -3.11 113.55 117.41 3hsf h SER 17 Ca -0.18 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 3hsf h SER 17 Cb 1.87 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 3hsf h SER 17 CO 0.09 1.18 0.00 0.59 -0.87 0.00 0.00 176.83 177.82 3hsf n ASN 18 N -3.91 5.03 0.28 4.97 3.02 -1.25 -4.45 115.26 118.95 3hsf n ASN 18 Ca -0.05 -2.58 0.13 0.00 -0.03 0.00 0.00 54.58 52.05 3hsf n ASN 18 Cb 0.69 -0.61 0.81 0.00 -0.61 0.00 0.00 39.78 40.06 3hsf n ASN 18 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3hsf h GLU 19 N 4.06 0.00 0.00 3.52 4.39 -1.42 0.80 114.58 125.94 3hsf h GLU 19 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3hsf h GLU 19 Cb 1.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.24 3hsf h GLU 19 CO 0.30 0.03 -1.31 1.17 -1.16 0.00 0.00 179.01 178.04 3hsf n LYS 20 N -3.97 0.62 0.00 2.33 3.00 -1.26 -4.01 118.16 114.87 3hsf n LYS 20 Ca -0.03 0.06 0.12 0.00 -0.00 0.00 0.00 58.31 58.46 3hsf n LYS 20 Cb 0.12 -1.75 0.12 0.00 0.00 0.00 0.00 35.03 33.52 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 -2.62 0.00 -3.65 5.64 3.72 -0.65 -4.81 117.46 115.09 3hsf n PHE 21 Ca -0.03 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.34 3hsf n PHE 21 Cb 0.61 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 39.07 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 -2.22 0.00 -0.12 4.37 2.07 0.18 -4.28 121.20 121.20 3hsf s ILE 22 Ca 0.25 0.00 -0.32 0.00 -1.41 0.00 0.00 60.65 59.17 3hsf s ILE 22 Cb 0.19 -1.00 0.13 0.00 0.13 0.00 0.00 42.46 41.91 3hsf s ILE 22 CO 0.42 0.00 1.08 -2.28 -1.91 0.00 0.00 174.94 172.25 3hsf s HIS 23 N 0.09 -0.22 0.71 3.50 2.46 -1.19 -4.03 115.29 116.60 3hsf s HIS 23 Ca 0.06 0.17 -0.16 0.00 0.47 0.00 0.00 55.06 55.60 3hsf s HIS 23 Cb -0.05 0.52 0.00 0.00 -0.13 0.00 0.00 32.58 32.92 3hsf s HIS 23 CO -0.14 -0.33 0.96 0.91 -2.47 0.00 0.00 174.74 173.66 3hsf n TRP 24 N -0.06 0.64 0.10 3.88 8.01 -1.26 -1.68 117.44 127.07 3hsf n TRP 24 Ca -0.04 0.39 -0.04 0.00 -1.31 0.00 0.00 57.50 56.51 3hsf n TRP 24 Cb 0.59 -2.08 -0.02 0.00 -2.01 0.00 0.00 31.31 27.79 3hsf n TRP 24 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 3hsf h SER 25 N -0.21 -0.23 0.00 -0.99 0.02 -1.69 -3.44 113.55 107.01 3hsf h SER 25 Ca -0.47 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3hsf h SER 25 Cb 1.34 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.93 3hsf h SER 25 CO 0.47 -0.12 0.00 0.41 -1.14 0.00 0.00 176.83 176.45 3hsf n THR 26 N -2.98 0.00 -3.64 -2.27 -1.04 -1.26 -5.07 114.28 98.02 3hsf n THR 26 Ca -0.03 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.90 3hsf n THR 26 Cb 0.11 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.55 3hsf n THR 26 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3hsf s SER 27 N -2.00 -0.69 0.00 8.00 0.01 -1.26 -4.98 113.70 112.78 3hsf s SER 27 Ca 0.00 1.17 0.00 0.00 1.31 0.00 0.00 55.95 58.43 3hsf s SER 27 Cb 0.00 1.25 0.00 0.00 0.21 0.00 0.00 66.02 67.48 3hsf s SER 27 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 3hsf n GLY 28 N 3.43 1.88 2.63 3.44 0.00 -1.26 -4.92 105.19 110.39 3hsf n GLY 28 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.25 -4.48 -3.60 1.61 4.71 -1.26 -4.82 120.64 112.55 3hsf n GLU 29 Ca 0.00 3.38 -0.11 0.00 -0.01 0.00 0.00 57.16 60.42 3hsf n GLU 29 Cb 0.00 -4.87 -0.06 0.00 -1.01 0.00 0.00 31.44 25.50 3hsf n GLU 29 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3hsf s SER 30 N -0.63 -0.46 0.14 1.62 1.04 -1.26 -4.33 113.70 109.81 3hsf s SER 30 Ca -0.28 0.70 0.06 0.00 0.48 0.00 0.00 55.95 56.91 3hsf s SER 30 Cb 0.02 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 3hsf s SER 30 CO 0.76 -0.29 0.01 -0.63 0.98 0.00 0.00 173.24 174.07 3hsf s ILE 31 N -0.48 3.90 -0.02 -1.02 1.01 -1.06 -2.03 121.20 121.51 3hsf s ILE 31 Ca -0.01 -1.21 0.04 0.00 0.00 0.00 0.00 60.65 59.48 3hsf s ILE 31 Cb -0.03 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 3hsf s ILE 31 CO -0.01 -0.01 -0.15 -0.69 0.00 0.00 0.00 174.94 174.09 3hsf s VAL 32 N -1.54 1.19 -0.47 2.92 1.01 -0.68 -2.93 120.40 119.91 3hsf s VAL 32 Ca 0.27 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3hsf s VAL 32 Cb -0.10 -1.00 0.13 0.00 0.00 0.00 0.00 36.38 35.40 3hsf s VAL 32 CO 0.19 0.34 0.22 -0.69 0.00 0.00 0.00 175.10 175.16 3hsf s VAL 33 N -0.28 2.27 0.21 2.92 1.01 -0.49 -3.19 120.40 122.86 3hsf s VAL 33 Ca 0.04 -2.99 0.17 0.00 0.00 0.00 0.00 61.98 59.20 3hsf s VAL 33 Cb -0.07 -2.60 0.10 0.00 0.00 0.00 0.00 36.38 33.82 3hsf s VAL 33 CO -0.00 -0.79 1.72 1.55 0.00 0.00 0.00 175.10 177.58 3hsf h PRO 34 N 6.74 0.00 -1.99 2.72 0.13 -1.83 -2.88 132.00 134.90 3hsf h PRO 34 Ca -0.06 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.66 3hsf h PRO 34 Cb 0.92 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.73 3hsf h PRO 34 CO 0.62 0.42 -0.73 -0.80 -0.23 0.00 0.00 178.00 177.28 3hsf s ASN 35 N -6.56 1.13 0.37 1.44 0.01 -1.26 -4.68 114.94 105.40 3hsf s ASN 35 Ca -0.01 -1.91 0.17 0.00 -0.71 0.00 0.00 52.86 50.40 3hsf s ASN 35 Cb 0.12 0.43 0.70 0.00 0.41 0.00 0.00 41.25 42.90 3hsf s ASN 35 CO 0.70 -0.23 1.76 0.08 -1.51 0.00 0.00 177.10 177.90 3hsf h ARG 36 N 6.62 0.00 0.65 -0.60 -0.00 -1.76 -2.09 114.38 117.20 3hsf h ARG 36 Ca 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 60.04 3hsf h ARG 36 Cb 1.03 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 31.01 3hsf h ARG 36 CO 0.21 0.40 -0.31 1.49 -0.00 0.00 0.00 179.97 181.76 3hsf h GLU 37 N 0.00 -0.84 0.00 0.08 4.57 -1.94 -2.43 114.58 114.02 3hsf h GLU 37 Ca -0.00 0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.19 3hsf h GLU 37 Cb 0.83 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 3hsf h GLU 37 CO 0.05 -0.56 -0.20 0.00 -1.18 0.00 0.00 179.01 177.12 3hsf h ARG 38 N -1.11 0.00 0.22 1.92 -0.00 -1.99 -2.57 114.38 110.85 3hsf h ARG 38 Ca -0.09 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.38 3hsf h ARG 38 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.64 3hsf h ARG 38 CO 0.15 0.20 -0.11 0.35 0.00 0.00 0.00 179.97 180.56 3hsf h PHE 39 N 0.00 -0.29 -0.52 3.04 3.57 -1.33 -1.99 116.94 119.42 3hsf h PHE 39 Ca -0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.59 3hsf h PHE 39 Cb 0.36 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.12 3hsf h PHE 39 CO 0.00 -0.18 0.06 0.28 -2.23 0.00 0.00 178.31 176.24 3hsf h VAL 40 N -0.30 0.64 -0.72 1.41 2.07 -1.43 1.00 116.25 118.92 3hsf h VAL 40 Ca -0.03 -0.06 0.14 0.00 0.82 0.00 0.00 66.70 67.57 3hsf h VAL 40 Cb 0.23 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 3hsf h VAL 40 CO 0.05 0.03 0.48 1.56 0.02 0.00 0.00 177.57 179.71 3hsf h GLN 41 N 0.18 0.37 -0.19 1.57 1.08 -1.44 -2.55 115.11 114.13 3hsf h GLN 41 Ca 0.27 -0.02 -0.20 0.00 -1.45 0.00 0.00 58.65 57.25 3hsf h GLN 41 Cb 0.39 -0.08 -0.30 0.00 -0.05 0.00 0.00 27.48 27.44 3hsf h GLN 41 CO -0.39 0.24 -0.90 0.39 -0.95 0.00 0.00 178.83 177.22 3hsf n GLU 42 N -4.47 1.22 0.00 1.46 -0.58 -0.43 -4.86 120.64 112.99 3hsf n GLU 42 Ca 0.13 -2.92 0.00 0.00 -0.42 0.00 0.00 57.16 53.96 3hsf n GLU 42 Cb 0.52 -1.03 0.00 0.00 -0.57 0.00 0.00 31.44 30.36 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 -0.28 0.00 -0.01 2.62 0.31 0.33 -4.86 118.33 116.44 3hsf n VAL 43 Ca 0.14 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.36 3hsf n VAL 43 Cb 0.94 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.82 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 0.10 -0.12 7.52 5.85 -1.42 -1.65 115.31 125.58 3hsf h LEU 44 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hsf h LEU 44 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3hsf h LEU 44 CO 0.00 0.07 0.00 -0.81 -0.34 0.00 0.00 178.44 177.36 3hsf n PRO 45 N -5.03 0.04 0.23 5.25 -0.04 -1.26 -1.85 135.00 132.34 3hsf n PRO 45 Ca -0.05 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.82 3hsf n PRO 45 Cb 0.04 -1.57 0.32 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.00 0.00 0.54 3.11 -1.63 -2.68 116.57 115.91 3hsf h LYS 46 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3hsf h LYS 46 Cb 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 3hsf h LYS 46 CO 0.00 0.02 -0.58 0.66 -2.81 0.00 0.00 179.45 176.74 3hsf n TYR 47 N -3.11 0.00 0.00 1.91 4.02 -1.07 -4.84 117.16 114.07 3hsf n TYR 47 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 3hsf n TYR 47 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 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 -1.16 0.00 -2.11 -0.72 3.01 -0.77 -5.12 117.46 110.58 3hsf n PHE 48 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3hsf n PHE 48 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 -2.12 -4.69 -2.87 -1.08 4.76 -1.01 -4.78 118.16 106.37 3hsf n LYS 49 Ca 0.00 3.44 -0.09 0.00 -2.87 0.00 0.00 58.31 58.79 3hsf n LYS 49 Cb 0.45 -4.10 0.01 0.00 -1.84 0.00 0.00 35.03 29.55 3hsf n LYS 49 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3hsf n HIS 50 N 1.63 -3.50 -3.37 2.13 8.25 -1.26 -5.00 115.22 114.10 3hsf n HIS 50 Ca 0.00 1.42 -0.01 0.00 -0.26 0.00 0.00 57.72 58.88 3hsf n HIS 50 Cb 0.00 -3.97 -0.00 0.00 1.12 0.00 0.00 29.99 27.14 3hsf n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hsf n SER 51 N -0.20 -0.14 -3.85 0.41 2.88 -1.26 -5.11 113.62 106.36 3hsf n SER 51 Ca 0.10 -1.14 -0.12 0.00 -1.33 0.00 0.00 58.87 56.39 3hsf n SER 51 Cb 0.43 0.24 -0.11 0.00 -0.75 0.00 0.00 64.21 64.02 3hsf n SER 51 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hsf s ASN 52 N -1.16 -0.05 0.55 -3.46 2.20 -1.26 -5.02 114.94 106.73 3hsf s ASN 52 Ca 0.02 -0.02 0.23 0.00 -0.94 0.00 0.00 52.86 52.15 3hsf s ASN 52 Cb -0.00 0.26 1.47 0.00 -2.00 0.00 0.00 41.25 40.98 3hsf s ASN 52 CO 0.01 -0.28 2.12 0.15 -2.94 0.00 0.00 177.10 176.16 3hsf h PHE 53 N 4.76 0.00 -0.59 1.54 3.57 -2.00 -1.36 116.94 122.86 3hsf h PHE 53 Ca -0.29 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.18 3hsf h PHE 53 Cb 1.19 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 3hsf h PHE 53 CO 0.53 0.00 0.26 0.00 -2.23 0.00 0.00 178.31 176.87 3hsf h ALA 54 N 1.88 0.77 -0.56 2.41 0.00 -2.00 -1.91 119.26 119.85 3hsf h ALA 54 Ca 0.08 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3hsf h ALA 54 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hsf h ALA 54 CO -0.00 0.36 0.03 0.66 0.00 0.00 0.00 179.25 180.30 3hsf h SER 55 N 0.81 0.89 -0.47 0.00 4.64 -1.67 -2.38 113.55 115.37 3hsf h SER 55 Ca 0.20 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3hsf h SER 55 Cb 0.16 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 3hsf h SER 55 CO -0.02 0.93 0.24 0.15 -0.87 0.00 0.00 176.83 177.26 3hsf h PHE 56 N 0.86 0.71 -0.62 4.77 3.04 -1.18 -2.05 116.94 122.47 3hsf h PHE 56 Ca 0.17 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.03 3hsf h PHE 56 Cb 0.46 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 3hsf h PHE 56 CO 0.03 0.53 0.14 0.28 -2.02 0.00 0.00 178.31 177.27 3hsf h VAL 57 N 0.72 1.25 -0.39 1.41 2.07 -0.85 -2.77 116.25 117.69 3hsf h VAL 57 Ca 0.18 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.77 3hsf h VAL 57 Cb 0.09 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3hsf h VAL 57 CO -0.02 0.35 0.25 -0.09 0.02 0.00 0.00 177.57 178.08 3hsf h ARG 58 N 0.91 0.50 -0.40 1.57 9.65 -1.12 -2.45 114.38 123.04 3hsf h ARG 58 Ca 0.19 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.07 3hsf h ARG 58 Cb 0.37 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 3hsf h ARG 58 CO 0.00 0.33 0.19 1.96 2.80 0.00 0.00 179.97 185.26 3hsf h GLN 59 N 0.52 0.38 -0.73 0.20 7.50 -1.29 -1.78 115.11 119.91 3hsf h GLN 59 Ca 0.15 -0.02 0.03 0.00 0.50 0.00 0.00 58.65 59.31 3hsf h GLN 59 Cb -0.04 -0.09 -0.04 0.00 0.05 0.00 0.00 27.48 27.36 3hsf h GLN 59 CO -0.04 0.25 0.48 -0.07 -1.50 0.00 0.00 178.83 177.95 3hsf h LEU 60 N 0.39 0.78 -0.76 1.46 3.38 -1.23 -1.35 115.31 117.97 3hsf h LEU 60 Ca 0.17 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3hsf h LEU 60 Cb 0.09 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3hsf h LEU 60 CO -0.12 0.54 -0.11 -1.13 0.09 0.00 0.00 178.44 177.70 3hsf h ASN 61 N 0.91 0.00 -0.29 -0.43 -0.73 -0.92 -2.22 115.58 111.90 3hsf h ASN 61 Ca 0.29 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.46 3hsf h ASN 61 Cb 0.03 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.62 3hsf h ASN 61 CO -0.08 0.11 0.00 0.23 -0.37 0.00 0.00 177.43 177.32 3hsf n MET 62 N -3.18 2.42 0.00 6.67 2.81 -0.51 -4.30 117.12 121.02 3hsf n MET 62 Ca 0.02 -1.35 0.00 0.00 -1.81 0.00 0.00 57.70 54.56 3hsf n MET 62 Cb 0.45 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 0.36 0.00 0.00 2.03 4.01 -1.16 -5.06 117.16 117.33 3hsf n TYR 63 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 3hsf n TYR 63 Cb 0.54 0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 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 2.07 0.00 3.15 2.72 0.00 -1.15 -5.16 105.19 106.82 3hsf n GLY 64 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.98 0.01 1.61 0.23 -0.85 -4.44 118.94 117.48 3hsf s TRP 65 Ca 0.00 -0.69 -0.03 0.00 -2.03 0.00 0.00 56.10 53.35 3hsf s TRP 65 Cb 0.00 -1.35 -0.01 0.00 0.03 0.00 0.00 33.47 32.14 3hsf s TRP 65 CO 0.00 -0.28 0.04 -1.01 0.96 0.00 0.00 176.95 176.66 3hsf s HIS 66 N 0.27 0.14 -0.99 -1.98 3.76 -1.05 -4.30 115.29 111.14 3hsf s HIS 66 Ca -0.11 -0.31 -0.21 0.00 -0.15 0.00 0.00 55.06 54.29 3hsf s HIS 66 Cb -0.15 -0.11 0.09 0.00 1.11 0.00 0.00 32.58 33.52 3hsf s HIS 66 CO 0.05 -0.20 1.30 0.15 -0.85 0.00 0.00 174.74 175.19 3hsf s LYS 67 N -1.23 3.62 -0.02 1.40 1.02 -1.26 -2.49 119.74 120.78 3hsf s LYS 67 Ca -0.13 -1.49 -0.00 0.00 0.02 0.00 0.00 55.97 54.37 3hsf s LYS 67 Cb -0.08 -5.15 0.00 0.00 -0.52 0.00 0.00 37.83 32.09 3hsf s LYS 67 CO -0.00 -1.99 0.01 1.33 -0.92 0.00 0.00 175.35 173.78 3hsf n VAL 68 N 6.16 -2.62 -1.88 3.17 0.24 -1.26 -4.82 118.33 117.32 3hsf n VAL 68 Ca 0.29 0.49 -0.35 0.00 -2.04 0.00 0.00 64.34 62.72 3hsf n VAL 68 Cb 0.50 -3.18 -0.01 0.00 -1.47 0.00 0.00 33.84 29.69 3hsf n VAL 68 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3hsf n GLN 69 N 1.71 3.30 -0.03 7.34 -0.06 -1.26 -4.57 117.38 123.80 3hsf n GLN 69 Ca -0.02 -3.26 -0.03 0.00 -2.00 0.00 0.00 57.00 51.69 3hsf n GLN 69 Cb 0.30 -2.31 -0.01 0.00 -4.06 0.00 0.00 30.24 24.17 3hsf n GLN 69 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 3hsf n ASP 70 N 0.38 0.75 -3.67 1.69 2.03 -1.26 -5.04 116.55 111.43 3hsf n ASP 70 Ca 0.52 0.14 -0.08 0.00 0.52 0.00 0.00 54.79 55.89 3hsf n ASP 70 Cb 0.35 -0.59 -0.09 0.00 -0.72 0.00 0.00 41.12 40.07 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 -1.74 -0.34 0.28 5.18 -7.23 -1.26 -5.14 120.40 110.15 3hsf s VAL 71 Ca -0.11 0.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.85 3hsf s VAL 71 Cb 0.02 -0.74 -0.10 0.00 0.56 0.00 0.00 36.38 36.11 3hsf s VAL 71 CO 0.17 0.04 1.45 -1.59 -0.31 0.00 0.00 175.10 174.86 3hsf s LYS 72 N 2.02 4.24 0.00 4.82 0.00 -1.26 -4.95 119.74 124.61 3hsf s LYS 72 Ca -0.07 2.37 0.00 0.00 0.00 0.00 0.00 55.97 58.27 3hsf s LYS 72 Cb -0.09 -3.07 0.00 0.00 0.00 0.00 0.00 37.83 34.66 3hsf s LYS 72 CO -0.15 -0.44 0.89 0.45 0.00 0.00 0.00 175.35 176.10 3hsf n SER 73 N 1.89 0.00 0.00 0.03 2.88 -1.26 -4.96 113.62 112.20 3hsf n SER 73 Ca 0.05 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 3hsf n SER 73 Cb 0.40 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 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 -0.79 2.91 0.00 0.46 0.00 -1.26 -4.92 105.19 101.59 3hsf n GLY 74 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3hsf n GLY 74 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hsf n SER 75 N 0.29 0.00 -2.93 1.61 2.88 -1.26 -5.06 113.62 109.15 3hsf n SER 75 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 3hsf n SER 75 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 3hsf n SER 75 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 3hsf n MET 76 N 0.00 -2.13 -1.89 -1.46 2.00 -1.26 -4.85 117.12 107.54 3hsf n MET 76 Ca 0.00 1.91 -0.39 0.00 0.00 0.00 0.00 57.70 59.22 3hsf n MET 76 Cb 0.00 -3.07 0.02 0.00 0.00 0.00 0.00 33.22 30.17 3hsf n MET 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3hsf s LEU 77 N -1.06 3.97 -0.47 4.03 1.02 -1.26 -3.97 118.68 120.94 3hsf s LEU 77 Ca -0.04 2.72 -0.10 0.00 0.02 0.00 0.00 54.13 56.73 3hsf s LEU 77 Cb 0.00 -4.15 0.01 0.00 0.02 0.00 0.00 46.19 42.08 3hsf s LEU 77 CO 0.39 -1.31 0.57 -1.20 0.02 0.00 0.00 176.35 174.82 3hsf n SER 78 N -0.63 -7.34 -4.80 2.29 7.64 -1.26 -5.04 113.62 104.48 3hsf n SER 78 Ca 0.08 0.32 -0.22 0.00 1.01 0.00 0.00 58.87 60.06 3hsf n SER 78 Cb 0.45 -4.95 -0.05 0.00 -1.01 0.00 0.00 64.21 58.65 3hsf n SER 78 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hsf s ASN 79 N -2.59 4.93 -1.28 6.43 4.22 -1.25 -4.65 114.94 120.74 3hsf s ASN 79 Ca 0.16 -0.72 -0.04 0.00 -2.14 0.00 0.00 52.86 50.12 3hsf s ASN 79 Cb -0.04 -0.74 0.01 0.00 1.28 0.00 0.00 41.25 41.76 3hsf s ASN 79 CO 0.69 -0.43 1.06 0.59 -2.04 0.00 0.00 177.10 176.97 3hsf n ASN 80 N -1.32 -3.82 -3.19 3.54 3.02 -1.26 -5.00 115.26 107.24 3hsf n ASN 80 Ca -0.01 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 3hsf n ASN 80 Cb 0.61 -4.98 0.00 0.00 -0.61 0.00 0.00 39.78 34.80 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 -3.07 -0.15 0.00 6.41 2.03 -1.26 -4.87 116.55 115.64 3hsf n ASP 81 Ca -0.16 -0.12 0.13 0.00 0.52 0.00 0.00 54.79 55.16 3hsf n ASP 81 Cb 0.62 0.00 0.69 0.00 -0.72 0.00 0.00 41.12 41.71 3hsf n ASP 81 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3hsf n SER 82 N -0.58 0.00 -4.63 1.67 2.88 -1.26 -4.70 113.62 107.00 3hsf n SER 82 Ca 0.00 -0.27 -0.39 0.00 -1.33 0.00 0.00 58.87 56.88 3hsf n SER 82 Cb 0.00 -0.21 -0.08 0.00 -0.75 0.00 0.00 64.21 63.16 3hsf n SER 82 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3hsf s ARG 83 N -2.43 4.07 -0.09 -1.46 0.52 -1.26 -3.44 118.95 114.86 3hsf s ARG 83 Ca 0.28 0.11 0.02 0.00 -0.52 0.00 0.00 55.73 55.63 3hsf s ARG 83 Cb 0.18 -3.62 0.01 0.00 0.52 0.00 0.00 34.95 32.04 3hsf s ARG 83 CO 0.37 -0.21 -0.16 -1.58 0.02 0.00 0.00 175.30 173.74 3hsf s TRP 84 N 1.87 1.93 -0.17 -0.53 0.52 -1.09 -4.94 118.94 116.53 3hsf s TRP 84 Ca 0.17 -0.82 0.01 0.00 0.02 0.00 0.00 56.10 55.47 3hsf s TRP 84 Cb -0.15 -1.37 0.03 0.00 -1.15 0.00 0.00 33.47 30.83 3hsf s TRP 84 CO 0.09 -0.40 -0.13 -1.21 0.02 0.00 0.00 176.95 175.33 3hsf s GLU 85 N 0.73 2.22 -0.28 4.98 2.02 -1.26 -1.40 118.70 125.71 3hsf s GLU 85 Ca -0.12 -0.67 -0.09 0.00 0.02 0.00 0.00 54.97 54.11 3hsf s GLU 85 Cb -0.16 -2.23 -0.03 0.00 0.10 0.00 0.00 34.13 31.81 3hsf s GLU 85 CO 0.03 -0.31 0.13 -0.06 0.02 0.00 0.00 175.26 175.08 3hsf s PHE 86 N 1.45 3.16 0.35 1.61 0.08 -1.15 -4.58 117.98 118.90 3hsf s PHE 86 Ca 0.03 -0.25 0.09 0.00 0.12 0.00 0.00 56.93 56.91 3hsf s PHE 86 Cb -0.14 -2.32 -0.06 0.00 -0.57 0.00 0.00 43.02 39.93 3hsf s PHE 86 CO -0.10 -0.31 -0.01 -1.21 -0.10 0.00 0.00 175.22 173.49 3hsf s GLU 87 N 1.67 1.99 0.66 0.44 8.01 -1.04 -2.56 118.70 127.88 3hsf s GLU 87 Ca 0.06 -1.86 -0.11 0.00 0.01 0.00 0.00 54.97 53.08 3hsf s GLU 87 Cb -0.16 -1.83 -0.01 0.00 -4.31 0.00 0.00 34.13 27.82 3hsf s GLU 87 CO 0.07 0.10 1.05 1.21 0.01 0.00 0.00 175.26 177.70 3hsf s ASN 88 N -3.70 5.79 0.44 -0.19 2.47 -1.26 -2.54 114.94 115.96 3hsf s ASN 88 Ca 0.35 1.43 0.23 0.00 0.42 0.00 0.00 52.86 55.29 3hsf s ASN 88 Cb 0.02 -2.38 0.41 0.00 -1.45 0.00 0.00 41.25 37.86 3hsf s ASN 88 CO 0.19 -1.15 1.63 -0.08 -3.72 0.00 0.00 177.10 173.96 3hsf h GLU 89 N -0.52 0.00 0.00 0.43 4.81 -1.89 -3.46 114.58 113.95 3hsf h GLU 89 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3hsf h GLU 89 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3hsf h GLU 89 CO 0.61 0.04 0.00 -2.13 -0.73 0.00 0.00 179.01 176.80 3hsf n ARG 90 N -3.11 0.00 -3.44 1.92 0.63 -1.26 -4.41 116.66 106.98 3hsf n ARG 90 Ca 0.04 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.98 3hsf n ARG 90 Cb 0.52 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.41 3hsf n ARG 90 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3hsf s HIS 91 N 0.00 -1.36 0.00 -0.14 5.04 -1.26 -5.28 115.29 112.28 3hsf s HIS 91 Ca 0.00 1.98 0.00 0.00 -1.54 0.00 0.00 55.06 55.50 3hsf s HIS 91 Cb 0.00 0.68 0.00 0.00 0.04 0.00 0.00 32.58 33.30 3hsf s HIS 91 CO 0.00 -0.71 0.00 0.00 -2.34 0.00 0.00 174.74 171.69