#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 6.31 -0.26 1.61 0.01 -1.26 -4.99 113.70 115.12 2khr s SER 2 Ca 0.00 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 56.97 2khr s SER 2 Cb 0.00 -2.29 0.13 0.00 0.21 0.00 0.00 66.02 64.07 2khr s SER 2 CO 0.00 -0.66 0.33 -2.28 0.41 0.00 0.00 173.24 171.04 2khr s HIS 3 N 2.59 -0.65 -0.72 2.43 5.65 -1.26 -5.10 115.29 118.23 2khr s HIS 3 Ca 0.20 0.26 -0.27 0.00 0.25 0.00 0.00 55.06 55.51 2khr s HIS 3 Cb -0.15 -0.25 0.03 0.00 -1.18 0.00 0.00 32.58 31.03 2khr s HIS 3 CO 0.16 -0.83 1.26 -1.64 -0.65 0.00 0.00 174.74 173.04 2khr s MET 4 N 2.44 3.21 0.31 2.88 1.00 -1.26 -4.84 119.30 123.05 2khr s MET 4 Ca 0.10 -0.24 0.03 0.00 0.00 0.00 0.00 55.69 55.59 2khr s MET 4 Cb -0.14 -4.17 0.52 0.00 0.00 0.00 0.00 34.83 31.04 2khr s MET 4 CO -0.24 -2.10 1.81 0.77 0.00 0.00 0.00 175.02 175.26 2khr h SER 5 N 9.97 0.49 -1.45 3.03 0.02 -2.03 -3.37 113.55 120.22 2khr h SER 5 Ca -0.28 -0.12 -0.55 0.00 -0.84 0.00 0.00 61.79 60.00 2khr h SER 5 Cb 1.05 -0.13 -0.09 0.00 0.14 0.00 0.00 62.40 63.37 2khr h SER 5 CO 1.27 0.63 1.31 -0.89 -1.14 0.00 0.00 176.83 178.01 2khr s THR 6 N -4.78 3.80 -0.07 -2.27 2.01 -1.26 -4.97 115.64 108.10 2khr s THR 6 Ca -0.07 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 2khr s THR 6 Cb 0.15 -4.89 -0.05 0.00 0.01 0.00 0.00 72.50 67.72 2khr s THR 6 CO 0.78 -1.79 1.51 0.20 -0.69 0.00 0.00 174.62 174.62 2khr s ASN 7 N 5.03 6.77 -0.02 3.53 0.01 -1.26 -4.88 114.94 124.12 2khr s ASN 7 Ca 0.46 2.08 0.00 0.00 -0.71 0.00 0.00 52.86 54.69 2khr s ASN 7 Cb -0.03 -2.54 0.03 0.00 0.41 0.00 0.00 41.25 39.12 2khr s ASN 7 CO -0.01 -0.85 0.89 -0.81 -1.51 0.00 0.00 177.10 174.81 2khr n PRO 8 N 6.64 1.08 -3.60 -0.60 -0.04 -1.26 -4.75 135.00 132.47 2khr n PRO 8 Ca 0.16 -0.12 -0.40 0.00 -0.04 0.00 0.00 63.50 63.09 2khr n PRO 8 Cb 0.43 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.60 2khr n PRO 8 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2khr s PHE 9 N -0.41 3.30 -0.20 0.54 0.08 -1.26 -5.05 117.98 114.97 2khr s PHE 9 Ca 0.02 -1.31 -0.02 0.00 0.12 0.00 0.00 56.93 55.75 2khr s PHE 9 Cb 0.02 -2.76 0.00 0.00 -0.57 0.00 0.00 43.02 39.72 2khr s PHE 9 CO 0.00 -0.78 -0.11 -0.51 -0.10 0.00 0.00 175.22 173.73 2khr s ASP 10 N 1.92 3.77 0.51 1.36 1.01 -1.26 -5.12 116.67 118.86 2khr s ASP 10 Ca 0.02 -0.51 0.09 0.00 0.71 0.00 0.00 52.55 52.86 2khr s ASP 10 Cb -0.22 -1.62 0.05 0.00 1.01 0.00 0.00 42.92 42.15 2khr s ASP 10 CO 0.04 -0.01 0.67 1.51 0.21 0.00 0.00 175.17 177.59 2khr s ASP 11 N 1.38 5.27 -0.10 0.27 -4.77 -1.26 -5.05 116.67 112.40 2khr s ASP 11 Ca 0.05 -0.72 0.13 0.00 -3.30 0.00 0.00 52.55 48.72 2khr s ASP 11 Cb -0.14 -0.07 0.26 0.00 -1.09 0.00 0.00 42.92 41.88 2khr s ASP 11 CO -0.07 -1.09 1.13 0.47 0.70 0.00 0.00 175.17 176.30 2khr n ASP 12 N -2.05 1.48 0.00 2.11 9.92 -1.26 -5.08 116.55 121.68 2khr n ASP 12 Ca 0.12 -2.85 0.00 0.00 -0.53 0.00 0.00 54.79 51.52 2khr n ASP 12 Cb 0.61 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 2khr n ASP 12 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2khr n ASN 13 N -0.80 0.00 -4.40 -2.24 2.04 -1.26 -5.09 115.26 103.51 2khr n ASN 13 Ca 0.11 0.00 -0.45 0.00 -0.44 0.00 0.00 54.58 53.81 2khr n ASN 13 Cb 0.72 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.94 2khr n ASN 13 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 2khr s GLY 14 N 0.00 2.01 0.21 4.83 0.00 -1.26 -4.74 107.32 108.37 2khr s GLY 14 Ca 0.00 -2.68 -0.30 0.00 0.00 0.00 0.00 44.72 41.74 2khr s GLY 14 CO 0.00 1.74 1.19 0.00 0.00 0.00 0.00 173.10 176.02 2khr s ALA 15 N 2.23 3.44 -0.01 3.20 0.00 -1.26 -4.83 121.76 124.53 2khr s ALA 15 Ca 0.23 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 53.11 2khr s ALA 15 Cb -0.12 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 2khr s ALA 15 CO -0.04 -0.35 0.20 -0.59 0.00 0.00 0.00 175.76 174.98 2khr s PHE 16 N -0.31 3.55 0.21 0.00 -0.12 -1.26 0.80 117.98 120.86 2khr s PHE 16 Ca 0.51 0.40 0.11 0.00 -0.05 0.00 0.00 56.93 57.90 2khr s PHE 16 Cb -0.33 -1.86 -0.05 0.00 -0.63 0.00 0.00 43.02 40.15 2khr s PHE 16 CO 0.38 0.64 -0.22 -0.06 -0.05 0.00 0.00 175.22 175.91 2khr s PHE 17 N -1.32 2.23 -0.73 3.49 0.40 0.58 -3.77 117.98 118.87 2khr s PHE 17 Ca 0.27 -0.37 -0.22 0.00 -0.60 0.00 0.00 56.93 56.01 2khr s PHE 17 Cb -0.13 -1.07 0.07 0.00 0.51 0.00 0.00 43.02 42.41 2khr s PHE 17 CO 0.18 0.54 1.05 0.08 0.70 0.00 0.00 175.22 177.76 2khr s VAL 18 N -1.95 4.30 -0.17 -0.44 1.01 -0.23 -1.09 120.40 121.82 2khr s VAL 18 Ca 0.23 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 2khr s VAL 18 Cb -0.07 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.53 2khr s VAL 18 CO 0.11 -1.53 0.02 -0.22 0.00 0.00 0.00 175.10 173.47 2khr s LEU 19 N 4.09 3.57 -0.11 3.92 2.96 0.24 -0.91 118.68 132.43 2khr s LEU 19 Ca 0.26 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.14 2khr s LEU 19 Cb -0.13 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2khr s LEU 19 CO 0.07 0.17 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.54 2khr s VAL 20 N 0.37 3.91 0.30 1.68 1.01 0.42 -1.09 120.40 127.00 2khr s VAL 20 Ca -0.00 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.67 2khr s VAL 20 Cb -0.13 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 2khr s VAL 20 CO 0.01 0.55 0.30 0.21 0.00 0.00 0.00 175.10 176.17 2khr s ASN 21 N -0.25 5.60 0.18 3.32 3.84 -1.26 -2.11 114.94 124.26 2khr s ASN 21 Ca 0.04 -0.29 -0.13 0.00 0.21 0.00 0.00 52.86 52.69 2khr s ASN 21 Cb -0.13 -1.27 0.15 0.00 -0.55 0.00 0.00 41.25 39.46 2khr s ASN 21 CO 0.02 -0.22 1.77 -0.78 -2.79 0.00 0.00 177.10 175.10 2khr h ASP 22 N 1.26 0.29 -0.22 -4.21 3.58 -2.00 -2.57 116.42 112.55 2khr h ASP 22 Ca -0.47 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 56.94 2khr h ASP 22 Cb 1.25 -0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.25 2khr h ASP 22 CO 0.59 0.20 -0.10 -0.62 -2.88 0.00 0.00 179.24 176.42 2khr n GLU 23 N -4.94 2.00 -4.22 0.28 1.02 -1.26 -4.95 120.64 108.57 2khr n GLU 23 Ca 0.05 -3.01 -0.26 0.00 -0.02 0.00 0.00 57.16 53.92 2khr n GLU 23 Cb 0.16 -1.75 -0.08 0.00 -0.02 0.00 0.00 31.44 29.76 2khr n GLU 23 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2khr s ASP 24 N -2.53 4.72 -0.17 1.62 2.15 -0.97 -4.81 116.67 116.69 2khr s ASP 24 Ca 0.41 -0.44 -0.25 0.00 0.43 0.00 0.00 52.55 52.70 2khr s ASP 24 Cb 0.36 -0.98 -0.22 0.00 -0.30 0.00 0.00 42.92 41.78 2khr s ASP 24 CO 0.02 0.07 0.51 0.06 -0.17 0.00 0.00 175.17 175.66 2khr h GLN 25 N 2.56 0.00 -1.65 4.34 -0.00 -1.86 -3.41 115.11 115.09 2khr h GLN 25 Ca -0.47 0.00 0.09 0.00 -0.00 0.00 0.00 58.65 58.27 2khr h GLN 25 Cb 1.21 0.00 -0.24 0.00 -0.00 0.00 0.00 27.48 28.45 2khr h GLN 25 CO 0.58 0.95 0.22 -3.38 -0.00 0.00 0.00 178.83 177.20 2khr s HIS 26 N -2.26 -0.79 -0.29 0.06 -3.43 -1.26 -4.64 115.29 102.68 2khr s HIS 26 Ca -0.22 1.54 0.02 0.00 -0.80 0.00 0.00 55.06 55.60 2khr s HIS 26 Cb 0.01 0.48 0.08 0.00 -1.43 0.00 0.00 32.58 31.71 2khr s HIS 26 CO 0.62 -0.39 -0.00 -1.12 -2.00 0.00 0.00 174.74 171.85 2khr s SER 27 N 1.68 4.34 -0.79 7.38 0.01 -0.25 -5.04 113.70 121.03 2khr s SER 27 Ca -0.08 -1.66 -0.26 0.00 1.31 0.00 0.00 55.95 55.26 2khr s SER 27 Cb -0.05 -1.37 0.04 0.00 0.21 0.00 0.00 66.02 64.85 2khr s SER 27 CO -0.17 -0.31 1.28 -0.76 0.41 0.00 0.00 173.24 173.69 2khr s LEU 28 N 1.18 3.40 -0.19 2.44 2.01 -1.26 -0.59 118.68 125.67 2khr s LEU 28 Ca 0.02 -0.73 -0.05 0.00 0.01 0.00 0.00 54.13 53.38 2khr s LEU 28 Cb -0.19 -2.54 -0.03 0.00 0.01 0.00 0.00 46.19 43.44 2khr s LEU 28 CO -0.09 -1.72 0.01 0.86 1.01 0.00 0.00 176.35 176.41 2khr s TRP 29 N 5.35 3.08 0.16 0.29 -0.11 -0.25 -4.80 118.94 122.66 2khr s TRP 29 Ca 0.36 -0.32 -0.31 0.00 1.22 0.00 0.00 56.10 57.05 2khr s TRP 29 Cb -0.07 -2.06 -0.09 0.00 -1.50 0.00 0.00 33.47 29.75 2khr s TRP 29 CO 0.09 -0.13 1.39 -2.14 -4.62 0.00 0.00 176.95 171.55 2khr s PRO 30 N 0.78 4.32 0.00 5.86 0.02 -1.26 -0.31 135.00 144.42 2khr s PRO 30 Ca 0.01 2.13 0.23 0.00 0.02 0.00 0.00 61.00 63.38 2khr s PRO 30 Cb -0.14 -3.20 1.21 0.00 0.02 0.00 0.00 34.50 32.38 2khr s PRO 30 CO 0.02 -0.40 1.75 1.33 -0.33 0.00 0.00 177.00 179.37 2khr n VAL 31 N 3.36 0.22 0.23 3.83 0.24 0.24 -1.78 118.33 124.66 2khr n VAL 31 Ca 0.10 0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.58 2khr n VAL 31 Cb 0.42 -0.68 0.37 0.00 -1.47 0.00 0.00 33.84 32.47 2khr n VAL 31 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2khr h PHE 32 N 0.00 0.00 -2.07 6.34 3.57 -1.85 -3.45 116.94 119.48 2khr h PHE 32 Ca 0.00 0.00 -0.45 0.00 3.53 0.00 0.00 57.97 61.05 2khr h PHE 32 Cb 0.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.90 2khr h PHE 32 CO 0.00 0.07 -0.35 0.00 -2.23 0.00 0.00 178.31 175.80 2khr s ALA 33 N -3.40 4.06 -0.08 2.41 0.00 -0.74 -5.05 121.76 118.97 2khr s ALA 33 Ca 0.04 -1.31 -0.30 0.00 0.00 0.00 0.00 51.96 50.39 2khr s ALA 33 Cb 0.07 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 2khr s ALA 33 CO 0.63 0.06 1.47 0.34 0.00 0.00 0.00 175.76 178.26 2khr s ASP 34 N -4.09 6.80 -0.22 0.00 2.15 -1.26 -4.96 116.67 115.08 2khr s ASP 34 Ca 0.41 2.03 -0.26 0.00 0.43 0.00 0.00 52.55 55.16 2khr s ASP 34 Cb -0.09 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2khr s ASP 34 CO 0.31 -0.83 0.88 -0.63 -0.17 0.00 0.00 175.17 174.73 2khr s ILE 35 N 3.51 4.81 0.00 4.11 1.01 -1.26 -5.06 121.20 128.32 2khr s ILE 35 Ca 0.65 1.69 0.00 0.00 0.00 0.00 0.00 60.65 62.99 2khr s ILE 35 Cb -0.29 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.01 2khr s ILE 35 CO 0.24 -0.08 0.00 -0.81 0.00 0.00 0.00 174.94 174.29 2khr n PRO 36 N 5.92 2.20 -4.28 2.79 -0.04 -1.26 -5.09 135.00 135.23 2khr n PRO 36 Ca 0.07 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.27 2khr n PRO 36 Cb 0.47 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.85 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 -3.55 3.03 0.00 0.55 0.00 -1.26 -4.77 121.76 115.77 2khr s ALA 37 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2khr s ALA 37 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2khr s ALA 37 CO 0.00 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.59 2khr n GLY 38 N -0.21 1.70 3.45 0.00 0.00 -1.26 -5.10 105.19 103.77 2khr n GLY 38 Ca -0.09 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 2.16 -0.11 1.61 1.48 -1.26 -4.23 118.94 116.58 2khr s TRP 39 Ca 0.00 -0.42 -0.05 0.00 -1.06 0.00 0.00 56.10 54.57 2khr s TRP 39 Cb 0.00 -1.00 0.05 0.00 -1.16 0.00 0.00 33.47 31.37 2khr s TRP 39 CO 0.00 0.60 0.23 1.03 -4.06 0.00 0.00 176.95 174.76 2khr s ARG 40 N -3.56 0.15 -0.17 3.25 1.81 -0.90 -4.98 118.95 114.55 2khr s ARG 40 Ca 0.29 0.61 -0.21 0.00 -1.72 0.00 0.00 55.73 54.69 2khr s ARG 40 Cb -0.03 -0.11 -0.03 0.00 -0.45 0.00 0.00 34.95 34.33 2khr s ARG 40 CO 0.13 -0.23 0.64 0.08 -0.68 0.00 0.00 175.30 175.25 2khr s VAL 41 N 1.85 5.02 -0.15 3.52 1.01 -1.26 -0.44 120.40 129.95 2khr s VAL 41 Ca -0.04 1.24 0.03 0.00 0.00 0.00 0.00 61.98 63.22 2khr s VAL 41 Cb -0.11 -3.96 -0.23 0.00 0.00 0.00 0.00 36.38 32.07 2khr s VAL 41 CO -0.08 0.14 0.22 0.52 0.00 0.00 0.00 175.10 175.90 2khr n VAL 42 N 4.51 1.61 -3.83 2.92 0.31 -0.09 -4.99 118.33 118.78 2khr n VAL 42 Ca -0.01 -0.69 -0.12 0.00 -0.01 0.00 0.00 64.34 63.50 2khr n VAL 42 Cb 0.50 -1.31 -0.11 0.00 -0.91 0.00 0.00 33.84 32.01 2khr n VAL 42 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2khr s HIS 43 N -2.55 -0.11 0.00 3.52 2.46 -1.25 -5.03 115.29 112.33 2khr s HIS 43 Ca -0.20 0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.58 2khr s HIS 43 Cb 0.07 0.03 0.00 0.00 -0.13 0.00 0.00 32.58 32.55 2khr s HIS 43 CO 0.75 -0.19 0.00 0.41 -2.47 0.00 0.00 174.74 173.23 2khr n GLY 44 N 2.27 -0.45 3.52 1.59 0.00 -1.26 -1.07 105.19 109.79 2khr n GLY 44 Ca -0.17 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 0.00 3.19 0.16 1.61 4.04 -1.25 -4.34 118.70 122.12 2khr s GLU 45 Ca 0.00 -0.48 -0.06 0.00 0.04 0.00 0.00 54.97 54.47 2khr s GLU 45 Cb 0.00 -4.26 -0.02 0.00 0.02 0.00 0.00 34.13 29.87 2khr s GLU 45 CO 0.00 -2.05 0.20 0.00 -1.84 0.00 0.00 175.26 171.57 2khr s ALA 46 N 5.15 0.42 -0.05 -0.84 0.00 -1.26 -5.04 121.76 120.13 2khr s ALA 46 Ca 0.32 -1.18 -0.24 0.00 0.00 0.00 0.00 51.96 50.86 2khr s ALA 46 Cb -0.10 0.93 -0.11 0.00 0.00 0.00 0.00 23.12 23.84 2khr s ALA 46 CO 0.12 -0.60 0.66 0.43 0.00 0.00 0.00 175.76 176.38 2khr n SER 47 N -0.19 0.12 -0.10 0.00 7.64 -1.26 -4.63 113.62 115.20 2khr n SER 47 Ca -0.05 0.66 -0.06 0.00 1.01 0.00 0.00 58.87 60.43 2khr n SER 47 Cb 0.63 -0.52 0.02 0.00 -1.01 0.00 0.00 64.21 63.33 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 1.92 0.21 -0.84 1.43 9.65 -1.99 -0.77 114.38 123.99 2khr h ARG 48 Ca -0.28 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.61 2khr h ARG 48 Cb 0.81 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.29 2khr h ARG 48 CO 0.40 0.14 0.54 0.00 2.80 0.00 0.00 179.97 183.85 2khr h ALA 49 N 1.26 1.10 -0.45 2.80 0.00 -1.99 -0.94 119.26 121.04 2khr h ALA 49 Ca 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2khr h ALA 49 Cb 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2khr h ALA 49 CO -0.21 0.37 0.11 0.00 0.00 0.00 0.00 179.25 179.53 2khr h ALA 50 N 1.35 0.59 0.11 0.00 0.00 -1.69 0.13 119.26 119.74 2khr h ALA 50 Ca 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2khr h ALA 50 Cb -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2khr h ALA 50 CO -0.11 0.28 -0.05 0.00 0.00 0.00 0.00 179.25 179.36 2khr h LEU 52 N -0.25 0.24 -0.22 0.00 -0.00 -1.13 -1.30 115.31 112.64 2khr h LEU 52 Ca -0.01 0.03 0.01 0.00 -0.00 0.00 0.00 57.88 57.90 2khr h LEU 52 Cb 0.21 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 2khr h LEU 52 CO 0.02 0.18 0.14 -0.78 -0.00 0.00 0.00 178.44 178.00 2khr h ASP 53 N 0.36 0.22 0.06 -0.43 3.58 -0.81 -0.86 116.42 118.55 2khr h ASP 53 Ca 0.17 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.63 2khr h ASP 53 Cb 0.10 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 2khr h ASP 53 CO -0.14 0.16 -0.10 0.22 -2.88 0.00 0.00 179.24 176.51 2khr h TYR 54 N 0.28 -0.26 -0.38 0.28 3.20 -0.61 -0.33 116.97 119.15 2khr h TYR 54 Ca 0.09 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.83 2khr h TYR 54 Cb -0.01 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2khr h TYR 54 CO -0.07 -0.16 -0.29 -0.39 -1.64 0.00 0.00 178.16 175.61 2khr h VAL 55 N -0.20 1.28 0.00 1.81 -1.51 -1.12 -1.17 116.25 115.33 2khr h VAL 55 Ca 0.02 -1.44 -0.13 0.00 -1.23 0.00 0.00 66.70 63.92 2khr h VAL 55 Cb 0.22 1.29 -0.02 0.00 -2.13 0.00 0.00 31.29 30.65 2khr h VAL 55 CO -0.06 0.48 -0.64 -0.33 -1.23 0.00 0.00 177.57 175.79 2khr h GLU 56 N 0.69 0.00 -0.15 5.19 5.08 -1.04 0.25 114.58 124.60 2khr h GLU 56 Ca 0.08 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.22 2khr h GLU 56 Cb 0.83 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.09 2khr h GLU 56 CO 0.07 0.64 -0.78 0.87 -1.00 0.00 0.00 179.01 178.81 2khr h LYS 57 N 0.00 0.77 -0.19 2.33 1.57 -0.84 -3.16 116.57 117.06 2khr h LYS 57 Ca -0.01 -0.63 -0.15 0.00 -1.87 0.00 0.00 60.65 58.00 2khr h LYS 57 Cb 1.13 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 2khr h LYS 57 CO 0.08 1.24 -0.52 -0.91 -0.57 0.00 0.00 179.45 178.77 2khr h ASN 58 N 0.53 0.57 -4.90 0.86 -0.26 -1.12 -3.49 115.58 107.78 2khr h ASN 58 Ca -0.05 -0.29 0.00 0.00 -0.56 0.00 0.00 56.30 55.40 2khr h ASN 58 Cb 1.40 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 38.50 2khr h ASN 58 CO 0.16 0.99 -0.59 1.87 -1.06 0.00 0.00 177.43 178.80 2khr n TRP 59 N -3.97 -3.15 -2.21 1.19 -0.00 0.88 -4.85 117.44 105.32 2khr n TRP 59 Ca -0.03 1.32 -0.31 0.00 -0.00 0.00 0.00 57.50 58.48 2khr n TRP 59 Cb 0.58 -3.69 -0.04 0.00 -0.00 0.00 0.00 31.31 28.15 2khr n TRP 59 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 2khr s THR 60 N -2.00 3.61 -0.27 5.87 2.01 -1.24 -4.93 115.64 118.69 2khr s THR 60 Ca 0.13 -0.53 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 2khr s THR 60 Cb -0.04 -4.37 0.02 0.00 0.01 0.00 0.00 72.50 68.13 2khr s THR 60 CO 0.66 -1.27 -0.00 -0.62 -0.69 0.00 0.00 174.62 172.70 2khr s ASP 61 N 6.99 4.66 0.00 3.53 2.15 -1.26 -4.71 116.67 128.02 2khr s ASP 61 Ca 0.62 -0.82 0.15 0.00 0.43 0.00 0.00 52.55 52.94 2khr s ASP 61 Cb -0.04 -1.75 0.38 0.00 -0.30 0.00 0.00 42.92 41.20 2khr s ASP 61 CO -0.03 -0.16 1.30 0.18 -0.17 0.00 0.00 175.17 176.29 2khr n LEU 62 N 4.75 3.13 -2.82 -1.34 7.99 -1.26 -5.02 117.00 122.42 2khr n LEU 62 Ca -0.16 -1.85 -0.05 0.00 -0.01 0.00 0.00 56.01 53.95 2khr n LEU 62 Cb 0.47 -0.27 0.01 0.00 -0.11 0.00 0.00 43.42 43.52 2khr n LEU 62 CO 0.29 0.76 -0.25 -1.14 -1.51 0.00 0.00 177.39 175.53 2khr n ARG 63 N 0.90 -2.86 -2.09 3.23 3.00 -1.26 -4.92 116.66 112.66 2khr n ARG 63 Ca 0.15 2.39 -0.42 0.00 -0.00 0.00 0.00 57.85 59.97 2khr n ARG 63 Cb 0.48 -5.26 -0.03 0.00 0.00 0.00 0.00 32.46 27.65 2khr n ARG 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2khr s PRO 64 N -2.07 4.28 -0.34 -0.14 0.04 -1.26 -4.98 135.00 130.53 2khr s PRO 64 Ca 0.12 2.18 0.05 0.00 0.04 0.00 0.00 61.00 63.40 2khr s PRO 64 Cb -0.03 -3.21 0.19 0.00 0.04 0.00 0.00 34.50 31.49 2khr s PRO 64 CO 0.75 -0.49 0.65 0.21 0.04 0.00 0.00 177.00 178.16 2khr s LYS 65 N 1.02 0.63 -0.67 4.56 2.47 -1.26 -5.09 119.74 121.40 2khr s LYS 65 Ca 0.66 0.19 -0.26 0.00 -1.56 0.00 0.00 55.97 55.00 2khr s LYS 65 Cb -0.39 0.17 -0.08 0.00 -1.46 0.00 0.00 37.83 36.07 2khr s LYS 65 CO 0.31 -1.03 2.26 -1.12 0.16 0.00 0.00 175.35 175.93 2khr s SER 66 N 2.42 4.48 0.00 1.43 0.01 -1.26 -3.16 113.70 117.62 2khr s SER 66 Ca 0.13 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2khr s SER 66 Cb -0.07 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2khr s SER 66 CO -0.18 -3.12 0.00 -0.11 0.41 0.00 0.00 173.24 170.24 2khr n LEU 67 N 16.07 0.00 -0.72 2.44 -0.00 -1.26 -4.90 117.00 128.63 2khr n LEU 67 Ca 0.38 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.43 2khr n LEU 67 Cb 0.50 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 44.06 2khr n LEU 67 CO 0.64 0.00 0.59 0.54 -0.00 0.00 0.00 177.39 179.16 2khr n ARG 68 N -0.21 1.99 -1.76 1.96 5.12 -1.19 -4.89 116.66 117.68 2khr n ARG 68 Ca 0.00 -1.19 -0.42 0.00 -1.93 0.00 0.00 57.85 54.31 2khr n ARG 68 Cb 0.00 -1.41 -0.03 0.00 -1.16 0.00 0.00 32.46 29.87 2khr n ARG 68 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2khr s ASP 69 N -0.81 6.18 -0.84 0.55 2.15 -1.26 -4.89 116.67 117.74 2khr s ASP 69 Ca 0.22 2.23 -0.25 0.00 0.43 0.00 0.00 52.55 55.18 2khr s ASP 69 Cb 0.13 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 40.21 2khr s ASP 69 CO 0.12 -1.33 1.73 0.00 -0.17 0.00 0.00 175.17 175.52 2khr s ALA 70 N 5.61 2.15 -0.83 3.66 0.00 -1.26 -4.92 121.76 126.18 2khr s ALA 70 Ca 0.87 -1.47 -0.22 0.00 0.00 0.00 0.00 51.96 51.14 2khr s ALA 70 Cb -0.36 -4.46 0.08 0.00 0.00 0.00 0.00 23.12 18.39 2khr s ALA 70 CO 0.36 -4.15 1.14 0.00 0.00 0.00 0.00 175.76 173.11 2khr s MET 71 N 6.39 3.37 0.16 0.00 0.23 -1.26 -5.00 119.30 123.19 2khr s MET 71 Ca 0.59 -1.16 0.07 0.00 -1.03 0.00 0.00 55.69 54.16 2khr s MET 71 Cb -0.07 -4.66 -0.04 0.00 -1.53 0.00 0.00 34.83 28.53 2khr s MET 71 CO 0.04 -1.90 0.02 0.14 -2.03 0.00 0.00 175.02 171.29 2khr s VAL 72 N 3.89 3.88 -0.13 5.16 -7.23 -1.26 -5.06 120.40 119.64 2khr s VAL 72 Ca 0.31 -1.32 -0.19 0.00 -1.81 0.00 0.00 61.98 58.97 2khr s VAL 72 Cb -0.09 -2.94 -0.17 0.00 0.56 0.00 0.00 36.38 33.74 2khr s VAL 72 CO 0.00 -0.08 0.48 -0.33 -0.31 0.00 0.00 175.10 174.86 2khr h GLU 73 N 2.74 0.00 0.00 4.82 4.39 -2.06 -3.57 114.58 120.90 2khr h GLU 73 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2khr h GLU 73 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2khr h GLU 73 CO 0.59 0.66 0.00 -3.47 -1.16 0.00 0.00 179.01 175.63