#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khr s SER 2 N 0.00 7.14 -0.02 1.61 0.15 -1.26 -5.07 113.70 116.25 2khr s SER 2 Ca 0.00 1.83 0.05 0.00 0.70 0.00 0.00 55.95 58.53 2khr s SER 2 Cb 0.00 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2khr s SER 2 CO 0.00 -0.22 -0.18 -1.00 1.20 0.00 0.00 173.24 173.05 2khr s HIS 3 N -1.78 1.64 0.16 3.44 4.02 -1.26 -5.14 115.29 116.37 2khr s HIS 3 Ca 0.55 -0.36 -0.14 0.00 1.02 0.00 0.00 55.06 56.13 2khr s HIS 3 Cb -0.17 -1.07 0.02 0.00 -1.02 0.00 0.00 32.58 30.34 2khr s HIS 3 CO 0.21 -0.07 0.38 0.00 1.02 0.00 0.00 174.74 176.29 2khr s MET 4 N -0.28 1.17 -1.37 1.40 0.00 -1.26 -5.07 119.30 113.89 2khr s MET 4 Ca 0.04 -0.92 -0.11 0.00 0.00 0.00 0.00 55.69 54.69 2khr s MET 4 Cb -0.08 0.45 0.11 0.00 0.00 0.00 0.00 34.83 35.30 2khr s MET 4 CO 0.00 -0.46 2.05 0.45 0.00 0.00 0.00 175.02 177.07 2khr n SER 5 N -0.24 4.58 -3.63 -1.18 2.88 -1.26 -4.81 113.62 109.97 2khr n SER 5 Ca -0.11 -2.98 -0.26 0.00 -1.33 0.00 0.00 58.87 54.18 2khr n SER 5 Cb 0.63 -1.56 -0.17 0.00 -0.75 0.00 0.00 64.21 62.36 2khr n SER 5 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2khr s THR 6 N 1.66 -0.01 -0.39 2.46 -4.23 -1.26 -5.11 115.64 108.76 2khr s THR 6 Ca 0.43 -0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 60.74 2khr s THR 6 Cb 0.12 -0.62 0.11 0.00 1.34 0.00 0.00 72.50 73.45 2khr s THR 6 CO -0.04 -0.26 0.16 0.54 -0.54 0.00 0.00 174.62 174.48 2khr s ASN 7 N 2.11 5.11 -0.16 3.99 4.22 -1.26 -4.89 114.94 124.06 2khr s ASN 7 Ca 0.02 -2.07 0.12 0.00 -2.14 0.00 0.00 52.86 48.78 2khr s ASN 7 Cb -0.16 -1.77 0.61 0.00 1.28 0.00 0.00 41.25 41.21 2khr s ASN 7 CO -0.09 -0.49 1.45 -0.81 -2.04 0.00 0.00 177.10 175.12 2khr n PRO 8 N 4.49 3.75 0.00 3.55 -0.04 -1.26 -4.96 135.00 140.54 2khr n PRO 8 Ca -0.00 -2.35 0.00 0.00 -0.04 0.00 0.00 63.50 61.10 2khr n PRO 8 Cb 0.42 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 2khr n PRO 8 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2khr n PHE 9 N 0.57 0.00 -1.72 0.54 3.72 -1.26 -5.13 117.46 114.19 2khr n PHE 9 Ca 0.21 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.57 2khr n PHE 9 Cb 0.91 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.47 2khr n PHE 9 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2khr n ASP 10 N 0.00 0.10 -4.71 4.37 2.03 -1.26 -4.99 116.55 112.09 2khr n ASP 10 Ca 0.00 -1.12 -0.42 0.00 0.52 0.00 0.00 54.79 53.77 2khr n ASP 10 Cb 0.00 -0.12 -0.03 0.00 -0.72 0.00 0.00 41.12 40.25 2khr n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2khr s ASP 11 N -1.64 6.45 0.33 1.67 2.15 -1.26 -5.00 116.67 119.37 2khr s ASP 11 Ca 0.10 2.77 0.02 0.00 0.43 0.00 0.00 52.55 55.87 2khr s ASP 11 Cb -0.00 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 40.00 2khr s ASP 11 CO 0.07 -0.94 0.51 -0.62 -0.17 0.00 0.00 175.17 174.02 2khr s ASP 12 N 1.45 6.23 0.09 -0.34 2.15 -1.26 -5.00 116.67 119.99 2khr s ASP 12 Ca 0.74 0.30 0.28 0.00 0.43 0.00 0.00 52.55 54.30 2khr s ASP 12 Cb -0.47 -1.89 1.03 0.00 -0.30 0.00 0.00 42.92 41.29 2khr s ASP 12 CO 0.32 -0.29 1.85 0.59 -0.17 0.00 0.00 175.17 177.47 2khr n ASN 13 N -1.72 0.37 0.00 -0.34 3.02 -1.26 -4.97 115.26 110.37 2khr n ASN 13 Ca -0.05 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 2khr n ASN 13 Cb 0.57 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2khr n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2khr n GLY 14 N 1.41 1.31 3.48 7.41 0.00 -1.26 -4.86 105.19 112.68 2khr n GLY 14 Ca 0.06 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 2khr n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khr s ALA 15 N -1.00 -1.57 -0.03 4.61 0.00 -1.26 -5.07 121.76 117.44 2khr s ALA 15 Ca 0.00 1.28 -0.07 0.00 0.00 0.00 0.00 51.96 53.17 2khr s ALA 15 Cb 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.90 2khr s ALA 15 CO 0.00 -0.34 0.16 -0.59 0.00 0.00 0.00 175.76 174.99 2khr s PHE 16 N -0.86 -0.06 0.38 0.00 -0.12 -1.26 0.01 117.98 116.07 2khr s PHE 16 Ca -0.09 0.13 0.08 0.00 -0.05 0.00 0.00 56.93 57.00 2khr s PHE 16 Cb -0.02 0.00 -0.07 0.00 -0.63 0.00 0.00 43.02 42.30 2khr s PHE 16 CO 0.07 -0.20 -0.01 -0.06 -0.05 0.00 0.00 175.22 174.97 2khr s PHE 17 N -0.74 2.49 -0.55 3.49 0.40 0.71 -3.28 117.98 120.50 2khr s PHE 17 Ca -0.08 -0.59 -0.18 0.00 -0.60 0.00 0.00 56.93 55.48 2khr s PHE 17 Cb -0.05 -1.64 0.10 0.00 0.51 0.00 0.00 43.02 41.94 2khr s PHE 17 CO 0.01 0.47 0.60 0.08 0.70 0.00 0.00 175.22 177.09 2khr s VAL 18 N -2.65 4.97 -0.21 -0.44 1.01 -0.22 -1.11 120.40 121.75 2khr s VAL 18 Ca 0.35 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 2khr s VAL 18 Cb 0.06 -4.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2khr s VAL 18 CO 0.18 -0.95 0.12 -0.22 0.00 0.00 0.00 175.10 174.24 2khr s LEU 19 N 2.28 4.07 0.02 3.92 2.96 0.73 -1.07 118.68 131.59 2khr s LEU 19 Ca 0.09 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 2khr s LEU 19 Cb -0.25 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2khr s LEU 19 CO 0.06 0.14 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.40 2khr s VAL 20 N 0.58 1.17 0.41 1.68 1.01 0.60 -0.86 120.40 124.99 2khr s VAL 20 Ca 0.07 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.21 2khr s VAL 20 Cb -0.12 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 2khr s VAL 20 CO 0.00 0.14 0.03 0.21 0.00 0.00 0.00 175.10 175.48 2khr s ASN 21 N -0.86 3.41 0.36 3.32 3.84 -1.20 -0.59 114.94 123.22 2khr s ASN 21 Ca 0.04 -1.47 0.11 0.00 0.21 0.00 0.00 52.86 51.75 2khr s ASN 21 Cb -0.07 -0.01 0.70 0.00 -0.55 0.00 0.00 41.25 41.32 2khr s ASN 21 CO 0.01 -0.64 1.83 -0.78 -2.79 0.00 0.00 177.10 174.73 2khr h ASP 22 N 1.77 0.07 -0.25 -4.21 3.58 -2.00 -2.81 116.42 112.57 2khr h ASP 22 Ca -0.42 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.00 2khr h ASP 22 Cb 1.26 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2khr h ASP 22 CO 0.74 0.41 0.00 -0.62 -2.88 0.00 0.00 179.24 176.89 2khr n GLU 23 N -4.12 2.74 -4.79 0.28 -0.58 -1.26 -4.94 120.64 107.97 2khr n GLU 23 Ca -0.02 -1.87 -0.33 0.00 -0.42 0.00 0.00 57.16 54.53 2khr n GLU 23 Cb 0.39 -1.20 -0.15 0.00 -0.57 0.00 0.00 31.44 29.91 2khr n GLU 23 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2khr s ASP 24 N -0.98 3.76 -0.04 1.62 -1.08 -1.06 -5.04 116.67 113.84 2khr s ASP 24 Ca 0.17 -0.41 -0.22 0.00 -0.52 0.00 0.00 52.55 51.58 2khr s ASP 24 Cb 0.09 -1.56 -0.16 0.00 -1.46 0.00 0.00 42.92 39.82 2khr s ASP 24 CO 0.12 0.14 0.95 1.56 0.52 0.00 0.00 175.17 178.47 2khr h GLN 25 N 6.86 -0.21 -1.56 4.34 4.20 -1.92 -3.17 115.11 123.65 2khr h GLN 25 Ca -0.26 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.57 2khr h GLN 25 Cb 1.21 0.05 -0.25 0.00 0.30 0.00 0.00 27.48 28.79 2khr h GLN 25 CO 0.54 0.22 0.27 -3.38 -0.67 0.00 0.00 178.83 175.81 2khr s HIS 26 N -3.63 -0.72 -0.04 2.96 -3.43 -1.26 -4.84 115.29 104.32 2khr s HIS 26 Ca -0.13 1.39 0.02 0.00 -0.80 0.00 0.00 55.06 55.54 2khr s HIS 26 Cb 0.01 0.43 0.01 0.00 -1.43 0.00 0.00 32.58 31.60 2khr s HIS 26 CO 0.51 -0.36 -0.09 -1.12 -2.00 0.00 0.00 174.74 171.69 2khr s SER 27 N 1.64 1.30 -0.55 7.38 0.01 -0.04 -5.03 113.70 118.42 2khr s SER 27 Ca -0.08 -0.20 -0.25 0.00 1.31 0.00 0.00 55.95 56.73 2khr s SER 27 Cb -0.05 -0.53 0.04 0.00 0.21 0.00 0.00 66.02 65.69 2khr s SER 27 CO -0.16 0.01 0.98 -0.76 0.41 0.00 0.00 173.24 173.73 2khr s LEU 28 N 0.59 3.98 -0.28 2.44 2.01 -1.26 -0.19 118.68 125.97 2khr s LEU 28 Ca -0.10 -0.22 -0.06 0.00 0.01 0.00 0.00 54.13 53.76 2khr s LEU 28 Cb -0.13 -2.93 0.00 0.00 0.01 0.00 0.00 46.19 43.14 2khr s LEU 28 CO 0.02 -1.25 0.05 0.86 1.01 0.00 0.00 176.35 177.04 2khr s TRP 29 N 4.11 3.11 0.40 0.29 -0.11 -0.27 -4.92 118.94 121.55 2khr s TRP 29 Ca 0.33 -0.96 -0.27 0.00 1.22 0.00 0.00 56.10 56.43 2khr s TRP 29 Cb -0.11 -2.22 -0.09 0.00 -1.50 0.00 0.00 33.47 29.55 2khr s TRP 29 CO 0.21 -0.56 1.34 -2.14 -4.62 0.00 0.00 176.95 171.18 2khr s PRO 30 N 1.50 4.00 0.00 5.86 0.02 -1.26 -0.21 135.00 144.91 2khr s PRO 30 Ca 0.03 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.30 2khr s PRO 30 Cb -0.17 -2.81 0.00 0.00 0.02 0.00 0.00 34.50 31.54 2khr s PRO 30 CO 0.01 -0.49 0.81 0.28 -0.33 0.00 0.00 177.00 177.28 2khr n VAL 31 N 0.22 0.00 1.02 3.83 0.31 0.10 -1.98 118.33 121.83 2khr n VAL 31 Ca 0.03 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.47 2khr n VAL 31 Cb 0.43 -0.16 0.06 0.00 -0.91 0.00 0.00 33.84 33.26 2khr n VAL 31 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2khr n PHE 32 N -0.34 0.00 -4.21 3.52 7.35 -1.26 -4.94 117.46 117.58 2khr n PHE 32 Ca 0.00 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.46 2khr n PHE 32 Cb 0.07 -0.10 -0.07 0.00 0.35 0.00 0.00 39.48 39.73 2khr n PHE 32 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2khr s ALA 33 N -2.91 3.33 0.39 3.13 0.00 -0.84 -5.11 121.76 119.76 2khr s ALA 33 Ca 0.11 -1.81 -0.26 0.00 0.00 0.00 0.00 51.96 50.00 2khr s ALA 33 Cb 0.17 -0.65 -0.09 0.00 0.00 0.00 0.00 23.12 22.55 2khr s ALA 33 CO 0.75 0.11 1.18 -0.51 0.00 0.00 0.00 175.76 177.29 2khr s ASP 34 N -3.77 6.55 -0.19 0.00 1.01 -1.26 -4.97 116.67 114.04 2khr s ASP 34 Ca 0.35 2.37 -0.00 0.00 0.71 0.00 0.00 52.55 55.98 2khr s ASP 34 Cb -0.03 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.29 2khr s ASP 34 CO 0.21 -0.66 -0.15 -0.63 0.21 0.00 0.00 175.17 174.15 2khr s ILE 35 N -1.38 2.50 0.00 0.77 1.01 -1.26 -5.09 121.20 117.74 2khr s ILE 35 Ca 0.56 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.42 2khr s ILE 35 Cb -0.31 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.07 2khr s ILE 35 CO 0.40 0.50 0.00 -0.81 0.00 0.00 0.00 174.94 175.03 2khr n PRO 36 N 4.63 0.00 -3.94 2.79 -0.04 -1.26 -5.12 135.00 132.05 2khr n PRO 36 Ca -0.20 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.16 2khr n PRO 36 Cb 0.50 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.90 2khr n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2khr s ALA 37 N -4.00 -0.18 -1.10 0.55 0.00 -1.26 -4.89 121.76 110.88 2khr s ALA 37 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2khr s ALA 37 Cb 0.00 0.95 0.00 0.00 0.00 0.00 0.00 23.12 24.07 2khr s ALA 37 CO 0.00 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2khr n GLY 38 N -0.29 0.23 3.91 0.00 0.00 -1.26 -5.01 105.19 102.78 2khr n GLY 38 Ca -0.06 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 2khr n GLY 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2khr s TRP 39 N -2.57 3.43 -0.18 1.61 1.48 -1.26 -4.62 118.94 116.82 2khr s TRP 39 Ca 0.00 0.11 -0.00 0.00 -1.06 0.00 0.00 56.10 55.15 2khr s TRP 39 Cb 0.00 -1.65 0.04 0.00 -1.16 0.00 0.00 33.47 30.71 2khr s TRP 39 CO 0.00 0.52 -0.07 1.03 -4.06 0.00 0.00 176.95 174.38 2khr s ARG 40 N -3.12 1.62 -0.49 3.25 3.00 0.24 -4.98 118.95 118.47 2khr s ARG 40 Ca 0.34 -0.67 -0.20 0.00 0.00 0.00 0.00 55.73 55.20 2khr s ARG 40 Cb -0.11 -2.20 0.04 0.00 0.00 0.00 0.00 34.95 32.68 2khr s ARG 40 CO 0.27 -0.46 0.65 0.08 0.00 0.00 0.00 175.30 175.85 2khr s VAL 41 N 1.54 4.83 0.01 3.52 1.01 -1.26 -0.29 120.40 129.76 2khr s VAL 41 Ca -0.01 -0.25 0.11 0.00 0.00 0.00 0.00 61.98 61.83 2khr s VAL 41 Cb -0.16 -4.28 -0.19 0.00 0.00 0.00 0.00 36.38 31.76 2khr s VAL 41 CO -0.08 -0.75 1.03 0.58 0.00 0.00 0.00 175.10 175.88 2khr h VAL 42 N 5.87 1.21 -3.13 2.92 2.07 -1.49 -3.47 116.25 120.23 2khr h VAL 42 Ca -0.27 -2.92 -0.14 0.00 0.82 0.00 0.00 66.70 64.18 2khr h VAL 42 Cb 1.09 2.58 -0.23 0.00 -1.52 0.00 0.00 31.29 33.21 2khr h VAL 42 CO 0.94 0.69 -0.38 -2.28 0.02 0.00 0.00 177.57 176.57 2khr s HIS 43 N -2.71 -0.21 0.00 1.57 2.46 -1.25 -5.00 115.29 110.14 2khr s HIS 43 Ca -0.01 0.47 0.00 0.00 0.47 0.00 0.00 55.06 55.99 2khr s HIS 43 Cb 0.09 0.08 0.00 0.00 -0.13 0.00 0.00 32.58 32.62 2khr s HIS 43 CO 0.81 -0.23 0.00 0.41 -2.47 0.00 0.00 174.74 173.26 2khr n GLY 44 N 2.26 0.09 3.54 1.59 0.00 -1.26 -1.06 105.19 110.35 2khr n GLY 44 Ca -0.17 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 2khr n GLY 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2khr s GLU 45 N 0.80 3.25 0.17 1.61 4.04 -1.21 -4.48 118.70 122.89 2khr s GLU 45 Ca 0.00 -0.44 -0.07 0.00 0.04 0.00 0.00 54.97 54.50 2khr s GLU 45 Cb 0.00 -4.37 -0.02 0.00 0.02 0.00 0.00 34.13 29.76 2khr s GLU 45 CO 0.00 -2.13 0.26 0.00 -1.84 0.00 0.00 175.26 171.55 2khr s ALA 46 N 5.47 0.21 -0.06 -0.84 0.00 -1.26 -4.94 121.76 120.33 2khr s ALA 46 Ca 0.36 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 51.04 2khr s ALA 46 Cb -0.07 0.93 -0.11 0.00 0.00 0.00 0.00 23.12 23.86 2khr s ALA 46 CO 0.11 -0.64 0.67 0.43 0.00 0.00 0.00 175.76 176.33 2khr n SER 47 N -0.22 0.15 -0.25 0.00 7.64 -1.26 -4.63 113.62 115.05 2khr n SER 47 Ca -0.06 0.66 -0.04 0.00 1.01 0.00 0.00 58.87 60.44 2khr n SER 47 Cb 0.63 -0.52 0.11 0.00 -1.01 0.00 0.00 64.21 63.43 2khr n SER 47 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2khr h ARG 48 N 1.95 1.11 -0.49 1.43 1.12 -1.99 -0.78 114.38 116.73 2khr h ARG 48 Ca -0.28 -0.19 -0.09 0.00 -1.11 0.00 0.00 59.98 58.31 2khr h ARG 48 Cb 0.80 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.56 2khr h ARG 48 CO 0.41 0.89 -0.06 0.00 -3.11 0.00 0.00 179.97 178.10 2khr h ALA 49 N 1.25 0.97 -0.54 2.80 0.00 -1.99 -0.13 119.26 121.62 2khr h ALA 49 Ca 0.25 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2khr h ALA 49 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2khr h ALA 49 CO -0.02 0.62 -0.08 0.00 0.00 0.00 0.00 179.25 179.76 2khr h ALA 50 N 1.14 0.83 -0.65 0.00 0.00 -1.68 -0.86 119.26 118.04 2khr h ALA 50 Ca 0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2khr h ALA 50 Cb 0.56 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2khr h ALA 50 CO 0.03 0.66 0.30 0.00 0.00 0.00 0.00 179.25 180.24 2khr h LEU 52 N 0.90 0.04 -0.04 0.00 3.38 -0.58 0.65 115.31 119.66 2khr h LEU 52 Ca 0.22 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.28 2khr h LEU 52 Cb 0.15 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2khr h LEU 52 CO -0.02 0.06 -0.16 -0.78 0.09 0.00 0.00 178.44 177.62 2khr h ASP 53 N 0.23 -0.48 -0.09 -0.43 3.58 -0.79 -0.64 116.42 117.80 2khr h ASP 53 Ca 0.19 0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.73 2khr h ASP 53 Cb 0.21 0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2khr h ASP 53 CO -0.23 -0.22 -0.02 0.22 -2.88 0.00 0.00 179.24 176.11 2khr h TYR 54 N -0.24 -0.05 -0.37 0.28 3.20 -0.81 -1.08 116.97 117.90 2khr h TYR 54 Ca 0.07 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.84 2khr h TYR 54 Cb 0.34 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2khr h TYR 54 CO -0.24 -0.04 -0.20 -0.39 -1.64 0.00 0.00 178.16 175.66 2khr h VAL 55 N -0.00 1.27 -0.24 1.81 -1.51 -0.68 -0.61 116.25 116.28 2khr h VAL 55 Ca 0.04 -1.27 -0.20 0.00 -1.23 0.00 0.00 66.70 64.05 2khr h VAL 55 Cb 0.06 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 2khr h VAL 55 CO -0.09 0.42 -0.62 -0.33 -1.23 0.00 0.00 177.57 175.72 2khr h GLU 56 N 0.62 0.82 0.00 5.19 4.39 -0.94 -2.91 114.58 121.75 2khr h GLU 56 Ca 0.09 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2khr h GLU 56 Cb 0.67 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2khr h GLU 56 CO 0.05 1.19 0.00 0.87 -1.16 0.00 0.00 179.01 179.96 2khr h LYS 57 N 0.61 0.00 -0.64 2.33 1.57 -1.06 -3.06 116.57 116.32 2khr h LYS 57 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2khr h LYS 57 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2khr h LYS 57 CO 0.13 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.10 2khr n ASN 58 N -2.34 4.14 0.31 0.86 5.03 -0.25 -4.37 115.26 118.64 2khr n ASN 58 Ca 0.05 -2.40 0.20 0.00 0.87 0.00 0.00 54.58 53.30 2khr n ASN 58 Cb 0.40 -0.54 1.00 0.00 -1.02 0.00 0.00 39.78 39.63 2khr n ASN 58 CO 0.00 0.00 0.00 4.11 -1.83 0.00 0.00 177.26 179.54 2khr h TRP 59 N 3.46 0.00 -2.91 3.10 0.09 -1.43 -3.42 115.95 114.84 2khr h TRP 59 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.89 58.45 2khr h TRP 59 Cb 1.29 0.00 0.02 0.00 0.08 0.00 0.00 29.16 30.55 2khr h TRP 59 CO 0.67 0.01 0.81 0.99 0.09 0.00 0.00 178.44 181.01 2khr s THR 60 N -4.02 3.34 -1.15 0.12 2.01 -1.26 -4.89 115.64 109.79 2khr s THR 60 Ca -0.03 0.88 -0.22 0.00 0.31 0.00 0.00 61.69 62.62 2khr s THR 60 Cb 0.12 -3.56 -0.06 0.00 0.01 0.00 0.00 72.50 69.01 2khr s THR 60 CO 0.47 0.03 1.90 1.51 -0.69 0.00 0.00 174.62 177.85 2khr s ASP 61 N 1.56 5.30 -0.33 3.53 -4.77 -1.26 -4.87 116.67 115.82 2khr s ASP 61 Ca 0.66 -1.60 -0.03 0.00 -3.30 0.00 0.00 52.55 48.28 2khr s ASP 61 Cb -0.36 -2.58 0.06 0.00 -1.09 0.00 0.00 42.92 38.95 2khr s ASP 61 CO 0.29 -2.76 0.07 -0.22 0.70 0.00 0.00 175.17 173.25 2khr s LEU 62 N 9.92 4.29 -0.35 2.11 1.98 -1.26 -5.07 118.68 130.29 2khr s LEU 62 Ca 0.66 -1.39 -0.28 0.00 -2.89 0.00 0.00 54.13 50.23 2khr s LEU 62 Cb -0.01 -1.78 0.02 0.00 0.66 0.00 0.00 46.19 45.08 2khr s LEU 62 CO 0.10 -0.34 1.04 0.00 -1.89 0.00 0.00 176.35 175.27 2khr s ARG 63 N 1.27 3.96 0.33 1.98 1.70 -1.26 -5.03 118.95 121.91 2khr s ARG 63 Ca -0.02 0.88 -0.21 0.00 -0.47 0.00 0.00 55.73 55.91 2khr s ARG 63 Cb -0.20 -3.78 -0.10 0.00 -0.57 0.00 0.00 34.95 30.30 2khr s ARG 63 CO -0.01 -0.98 0.86 -1.25 -1.08 0.00 0.00 175.30 172.85 2khr s PRO 64 N 3.71 4.31 -0.62 3.89 0.04 -1.26 -4.97 135.00 140.11 2khr s PRO 64 Ca 0.44 1.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.27 2khr s PRO 64 Cb -0.11 -2.58 -0.06 0.00 0.04 0.00 0.00 34.50 31.79 2khr s PRO 64 CO 0.18 0.20 2.14 0.15 0.04 0.00 0.00 177.00 179.71 2khr s LYS 65 N -2.52 2.30 -1.19 4.56 1.02 -1.26 -4.87 119.74 117.78 2khr s LYS 65 Ca 0.53 0.80 -0.19 0.00 0.02 0.00 0.00 55.97 57.12 2khr s LYS 65 Cb -0.14 -4.58 0.07 0.00 -0.52 0.00 0.00 37.83 32.66 2khr s LYS 65 CO 0.19 -3.21 1.60 -1.12 -0.92 0.00 0.00 175.35 171.89 2khr s SER 66 N 9.98 6.75 -0.86 2.83 0.01 -1.26 -4.89 113.70 126.25 2khr s SER 66 Ca 0.82 -2.17 -0.11 0.00 1.31 0.00 0.00 55.95 55.80 2khr s SER 66 Cb -0.14 -2.55 0.22 0.00 0.21 0.00 0.00 66.02 63.76 2khr s SER 66 CO 0.19 -1.24 0.80 -0.22 0.41 0.00 0.00 173.24 173.18 2khr s LEU 67 N 4.18 6.45 -0.30 2.44 0.20 -1.26 -4.96 118.68 125.43 2khr s LEU 67 Ca 0.50 -2.94 -0.00 0.00 0.69 0.00 0.00 54.13 52.37 2khr s LEU 67 Cb 0.02 -2.15 0.14 0.00 -0.43 0.00 0.00 46.19 43.76 2khr s LEU 67 CO 0.01 -0.47 0.29 -0.60 -0.29 0.00 0.00 176.35 175.29 2khr s ARG 68 N -0.22 0.34 -0.39 1.98 3.52 -1.26 -5.11 118.95 117.81 2khr s ARG 68 Ca 0.21 -0.22 -0.20 0.00 -0.13 0.00 0.00 55.73 55.39 2khr s ARG 68 Cb -0.11 -0.69 0.01 0.00 -1.56 0.00 0.00 34.95 32.60 2khr s ARG 68 CO -0.08 -1.04 0.59 0.34 -0.81 0.00 0.00 175.30 174.29 2khr s ASP 69 N 2.28 6.34 0.01 -2.12 2.15 -1.26 -4.90 116.67 119.17 2khr s ASP 69 Ca 0.10 -0.15 -0.03 0.00 0.43 0.00 0.00 52.55 52.89 2khr s ASP 69 Cb -0.14 -2.30 -0.01 0.00 -0.30 0.00 0.00 42.92 40.17 2khr s ASP 69 CO -0.31 -0.63 -0.06 0.00 -0.17 0.00 0.00 175.17 173.99 2khr n ALA 70 N 6.01 2.29 -3.06 3.66 0.00 -1.26 -5.08 120.51 123.06 2khr n ALA 70 Ca -0.03 -0.18 -0.17 0.00 0.00 0.00 0.00 53.44 53.06 2khr n ALA 70 Cb 0.48 0.12 0.02 0.00 0.00 0.00 0.00 19.45 20.07 2khr n ALA 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2khr n MET 71 N -3.31 -2.22 -4.19 0.00 2.81 -1.26 -5.04 117.12 103.91 2khr n MET 71 Ca -0.03 1.90 -0.13 0.00 -1.81 0.00 0.00 57.70 57.62 2khr n MET 71 Cb 0.10 -4.60 -0.10 0.00 -0.71 0.00 0.00 33.22 27.91 2khr n MET 71 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2khr s VAL 72 N -2.29 0.94 -0.19 2.03 -7.23 -1.26 -5.00 120.40 107.40 2khr s VAL 72 Ca 0.28 -1.80 -0.05 0.00 -1.81 0.00 0.00 61.98 58.61 2khr s VAL 72 Cb -0.06 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.35 2khr s VAL 72 CO 0.80 -0.67 0.17 1.21 -0.31 0.00 0.00 175.10 176.30 2khr n GLU 73 N 0.25 -1.41 0.00 4.82 2.13 -1.26 -5.33 120.64 119.84 2khr n GLU 73 Ca -0.14 1.44 0.00 0.00 0.66 0.00 0.00 57.16 59.12 2khr n GLU 73 Cb 0.59 -3.40 0.00 0.00 0.27 0.00 0.00 31.44 28.90 2khr n GLU 73 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32