#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 6.77 -0.25 1.61 0.01 -1.26 -4.98 113.70 115.60 2khr s SER 2 Ca 0.00 1.89 -0.17 0.00 1.31 0.00 0.00 55.95 58.98 2khr s SER 2 Cb 0.00 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.77 2khr s SER 2 CO 0.00 -0.89 0.62 -1.38 0.41 0.00 0.00 173.24 172.01 2khr s HIS 3 N 3.91 -0.88 -0.81 2.43 0.00 -1.26 -5.09 115.29 113.60 2khr s HIS 3 Ca 0.64 1.86 -0.00 0.00 -3.00 0.00 0.00 55.06 54.56 2khr s HIS 3 Cb -0.27 0.45 0.20 0.00 -4.00 0.00 0.00 32.58 28.97 2khr s HIS 3 CO 0.22 -0.44 0.66 1.41 -1.00 0.00 0.00 174.74 175.59 2khr s MET 4 N 1.22 2.96 -0.63 -0.38 -2.45 -1.26 -5.04 119.30 113.71 2khr s MET 4 Ca -0.07 -3.19 -0.27 0.00 -1.25 0.00 0.00 55.69 50.90 2khr s MET 4 Cb -0.05 -3.78 0.03 0.00 1.25 0.00 0.00 34.83 32.27 2khr s MET 4 CO -0.13 -1.26 1.19 -1.12 1.05 0.00 0.00 175.02 174.76 2khr s SER 5 N -0.38 6.33 -0.41 1.11 0.01 -1.26 -4.97 113.70 114.13 2khr s SER 5 Ca 0.25 -0.16 -0.07 0.00 1.31 0.00 0.00 55.95 57.28 2khr s SER 5 Cb -0.09 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.70 2khr s SER 5 CO -0.12 -1.57 0.24 -0.89 0.41 0.00 0.00 173.24 171.31 2khr s THR 6 N 5.07 3.90 0.15 1.44 2.01 -1.26 -5.03 115.64 121.93 2khr s THR 6 Ca 0.38 -1.61 0.10 0.00 0.31 0.00 0.00 61.69 60.87 2khr s THR 6 Cb -0.08 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 2khr s THR 6 CO 0.21 -0.56 -0.21 0.20 -0.69 0.00 0.00 174.62 173.57 2khr s ASN 7 N 2.07 3.67 0.00 3.53 0.01 -1.26 -5.02 114.94 117.94 2khr s ASN 7 Ca 0.04 -0.71 0.00 0.00 -0.71 0.00 0.00 52.86 51.48 2khr s ASN 7 Cb -0.23 -0.40 0.00 0.00 0.41 0.00 0.00 41.25 41.03 2khr s ASN 7 CO -0.00 0.15 1.43 -0.81 -1.51 0.00 0.00 177.10 176.36 2khr n PRO 8 N 0.53 0.72 0.00 -0.60 -0.04 -1.26 -4.26 135.00 130.10 2khr n PRO 8 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2khr n PRO 8 Cb 0.54 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 1.62 0.00 -3.66 0.54 3.72 -1.26 -5.17 117.46 113.25 2khr n PHE 9 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 2khr n PHE 9 Cb 0.36 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.89 2khr n PHE 9 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2khr s ASP 10 N 1.00 -0.21 0.20 4.37 -4.77 -1.26 -5.19 116.67 110.81 2khr s ASP 10 Ca 0.00 -0.23 -0.12 0.00 -3.30 0.00 0.00 52.55 48.90 2khr s ASP 10 Cb 0.00 0.39 -0.00 0.00 -1.09 0.00 0.00 42.92 42.22 2khr s ASP 10 CO 0.00 -0.70 0.40 -0.62 0.70 0.00 0.00 175.17 174.95 2khr s ASP 11 N -2.77 -0.07 0.00 2.11 2.15 -1.26 -4.93 116.67 111.90 2khr s ASP 11 Ca 0.10 -0.84 0.27 0.00 0.43 0.00 0.00 52.55 52.52 2khr s ASP 11 Cb -0.00 0.52 0.93 0.00 -0.30 0.00 0.00 42.92 44.07 2khr s ASP 11 CO -0.02 -1.02 1.70 0.47 -0.17 0.00 0.00 175.17 176.13 2khr n ASP 12 N -0.31 0.29 -0.69 -0.34 9.92 -1.26 -3.53 116.55 120.64 2khr n ASP 12 Ca -0.05 0.01 0.02 0.00 -0.53 0.00 0.00 54.79 54.23 2khr n ASP 12 Cb 0.63 -0.12 0.08 0.00 -0.64 0.00 0.00 41.12 41.07 2khr n ASP 12 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2khr n ASN 13 N -1.41 1.75 -4.53 -2.24 3.02 -1.26 -4.76 115.26 105.84 2khr n ASN 13 Ca 0.08 -2.15 -0.42 0.00 -0.03 0.00 0.00 54.58 52.05 2khr n ASN 13 Cb 0.33 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 2khr n ASN 13 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2khr s GLY 14 N -0.33 1.33 0.75 7.41 0.00 -1.23 -4.96 107.32 110.29 2khr s GLY 14 Ca 0.11 -2.16 -0.11 0.00 0.00 0.00 0.00 44.72 42.57 2khr s GLY 14 CO 0.04 2.50 1.08 0.00 0.00 0.00 0.00 173.10 176.72 2khr s ALA 15 N 4.60 2.38 0.05 3.20 0.00 -1.26 -4.86 121.76 125.87 2khr s ALA 15 Ca 0.39 0.22 0.08 0.00 0.00 0.00 0.00 51.96 52.65 2khr s ALA 15 Cb -0.04 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2khr s ALA 15 CO -0.03 -1.61 -0.22 -0.59 0.00 0.00 0.00 175.76 173.30 2khr s PHE 16 N -2.94 1.94 0.25 0.00 -0.12 -1.26 0.09 117.98 115.95 2khr s PHE 16 Ca 0.60 -0.39 0.11 0.00 -0.05 0.00 0.00 56.93 57.21 2khr s PHE 16 Cb -0.16 -1.15 -0.05 0.00 -0.63 0.00 0.00 43.02 41.03 2khr s PHE 16 CO 0.56 0.11 -0.18 -0.06 -0.05 0.00 0.00 175.22 175.59 2khr s PHE 17 N -0.82 2.35 -0.67 3.49 0.40 0.15 -3.53 117.98 119.35 2khr s PHE 17 Ca 0.09 -0.32 -0.19 0.00 -0.60 0.00 0.00 56.93 55.91 2khr s PHE 17 Cb -0.09 -1.06 0.11 0.00 0.51 0.00 0.00 43.02 42.49 2khr s PHE 17 CO 0.02 0.65 0.81 0.08 0.70 0.00 0.00 175.22 177.48 2khr s VAL 18 N -2.26 4.81 0.17 -0.44 1.01 -0.13 -1.84 120.40 121.73 2khr s VAL 18 Ca 0.28 -1.13 0.07 0.00 0.00 0.00 0.00 61.98 61.20 2khr s VAL 18 Cb -0.06 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 2khr s VAL 18 CO 0.14 -1.22 0.00 -0.22 0.00 0.00 0.00 175.10 173.80 2khr s LEU 19 N 2.64 3.32 -0.05 3.92 2.96 0.04 -0.64 118.68 130.87 2khr s LEU 19 Ca 0.17 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2khr s LEU 19 Cb -0.19 -1.98 0.01 0.00 0.50 0.00 0.00 46.19 44.54 2khr s LEU 19 CO 0.03 0.09 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.38 2khr s VAL 20 N -1.71 0.81 0.09 1.68 1.01 0.43 0.22 120.40 122.92 2khr s VAL 20 Ca 0.27 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.03 2khr s VAL 20 Cb -0.09 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2khr s VAL 20 CO 0.19 0.28 -0.17 0.54 0.00 0.00 0.00 175.10 175.94 2khr s ASN 21 N 0.65 3.96 0.58 3.32 2.20 -1.26 0.27 114.94 124.66 2khr s ASN 21 Ca -0.11 -0.49 0.36 0.00 -0.94 0.00 0.00 52.86 51.68 2khr s ASN 21 Cb -0.14 -0.62 1.66 0.00 -2.00 0.00 0.00 41.25 40.16 2khr s ASN 21 CO 0.02 0.20 2.10 -0.78 -2.94 0.00 0.00 177.10 175.70 2khr h ASP 22 N 3.95 0.00 -0.64 3.54 3.58 -1.79 -2.34 116.42 122.71 2khr h ASP 22 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2khr h ASP 22 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2khr h ASP 22 CO 0.47 0.02 0.00 -0.62 -2.88 0.00 0.00 179.24 176.23 2khr n GLU 23 N -3.15 3.60 -0.64 0.28 1.02 -1.26 -4.92 120.64 115.58 2khr n GLU 23 Ca -0.01 -2.85 0.00 0.00 -0.02 0.00 0.00 57.16 54.28 2khr n GLU 23 Cb 0.24 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 2khr n GLU 23 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2khr n ASP 24 N 1.13 0.00 -0.11 1.62 -0.08 -0.88 -5.10 116.55 113.13 2khr n ASP 24 Ca 0.25 -0.34 -0.22 0.00 -1.51 0.00 0.00 54.79 52.97 2khr n ASP 24 Cb 0.85 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 44.24 2khr n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2khr n GLN 25 N 0.00 0.52 -3.72 -0.67 6.02 -1.26 -4.78 117.38 113.48 2khr n GLN 25 Ca 0.00 0.22 -0.10 0.00 -0.01 0.00 0.00 57.00 57.11 2khr n GLN 25 Cb 0.00 -1.38 -0.04 0.00 1.02 0.00 0.00 30.24 29.84 2khr n GLN 25 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2khr s HIS 26 N -2.56 -0.11 -0.13 1.08 3.76 -1.26 -4.70 115.29 111.36 2khr s HIS 26 Ca -0.33 -0.23 -0.07 0.00 -0.15 0.00 0.00 55.06 54.29 2khr s HIS 26 Cb 0.11 0.34 0.05 0.00 1.11 0.00 0.00 32.58 34.19 2khr s HIS 26 CO 0.43 -0.86 0.31 -1.12 -0.85 0.00 0.00 174.74 172.65 2khr s SER 27 N -2.86 -0.27 -0.70 1.40 0.01 0.13 -4.86 113.70 106.54 2khr s SER 27 Ca 0.08 0.67 -0.23 0.00 1.31 0.00 0.00 55.95 57.79 2khr s SER 27 Cb -0.00 0.60 0.07 0.00 0.21 0.00 0.00 66.02 66.90 2khr s SER 27 CO -0.05 -0.19 1.04 -0.76 0.41 0.00 0.00 173.24 173.70 2khr s LEU 28 N 1.51 4.22 -0.21 2.44 2.01 -1.26 -0.78 118.68 126.61 2khr s LEU 28 Ca -0.08 -1.00 -0.06 0.00 0.01 0.00 0.00 54.13 53.00 2khr s LEU 28 Cb -0.10 -2.44 -0.03 0.00 0.01 0.00 0.00 46.19 43.63 2khr s LEU 28 CO -0.10 -1.48 0.02 0.86 1.01 0.00 0.00 176.35 176.66 2khr s TRP 29 N 4.25 3.07 0.22 0.29 -0.11 -0.76 -4.89 118.94 121.00 2khr s TRP 29 Ca 0.26 -0.39 -0.30 0.00 1.22 0.00 0.00 56.10 56.88 2khr s TRP 29 Cb -0.14 -2.11 -0.09 0.00 -1.50 0.00 0.00 33.47 29.62 2khr s TRP 29 CO 0.09 -0.22 1.37 -1.25 -4.62 0.00 0.00 176.95 172.31 2khr s PRO 30 N 1.05 4.34 0.37 5.86 0.04 -1.26 0.32 135.00 145.72 2khr s PRO 30 Ca 0.03 2.16 0.28 0.00 0.04 0.00 0.00 61.00 63.50 2khr s PRO 30 Cb -0.14 -3.16 1.22 0.00 0.04 0.00 0.00 34.50 32.45 2khr s PRO 30 CO 0.02 -0.33 1.83 -0.24 0.04 0.00 0.00 177.00 178.32 2khr h VAL 31 N 3.67 0.00 0.00 -0.36 3.04 -0.67 -0.77 116.25 121.16 2khr h VAL 31 Ca -0.45 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2khr h VAL 31 Cb 1.22 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 2khr h VAL 31 CO 0.78 0.00 0.00 0.33 -1.01 0.00 0.00 177.57 177.67 2khr n PHE 32 N -2.53 0.84 -4.11 3.17 7.35 -1.26 -4.73 117.46 116.19 2khr n PHE 32 Ca 0.01 0.29 -0.35 0.00 -0.76 0.00 0.00 57.45 56.64 2khr n PHE 32 Cb 0.21 -0.97 -0.07 0.00 0.35 0.00 0.00 39.48 38.99 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 -3.22 3.60 0.22 3.13 0.00 -0.30 -5.07 121.76 120.12 2khr s ALA 33 Ca 0.07 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 2khr s ALA 33 Cb 0.11 -1.71 -0.09 0.00 0.00 0.00 0.00 23.12 21.42 2khr s ALA 33 CO 0.48 0.62 1.36 0.34 0.00 0.00 0.00 175.76 178.56 2khr s ASP 34 N -1.13 6.80 -0.22 0.00 2.15 -1.26 -4.88 116.67 118.13 2khr s ASP 34 Ca 0.16 2.51 -0.29 0.00 0.43 0.00 0.00 52.55 55.36 2khr s ASP 34 Cb -0.12 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 39.89 2khr s ASP 34 CO 0.06 -0.59 1.06 -0.63 -0.17 0.00 0.00 175.17 174.89 2khr s ILE 35 N 0.05 4.65 0.00 4.11 1.01 -1.26 -5.01 121.20 124.74 2khr s ILE 35 Ca 0.58 1.99 0.00 0.00 0.00 0.00 0.00 60.65 63.22 2khr s ILE 35 Cb -0.39 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 37.80 2khr s ILE 35 CO 0.40 -0.17 0.00 -0.81 0.00 0.00 0.00 174.94 174.36 2khr n PRO 36 N 6.32 0.00 -3.71 2.79 -0.04 -1.26 -5.06 135.00 134.05 2khr n PRO 36 Ca 0.12 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 2khr n PRO 36 Cb 0.46 -0.03 -0.06 0.00 -0.04 0.00 0.00 33.50 33.83 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 -2.82 -0.72 -1.30 0.55 0.00 -1.26 -4.89 121.76 111.33 2khr s ALA 37 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 2khr s ALA 37 Cb 0.00 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.71 2khr s ALA 37 CO 0.00 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2khr n GLY 38 N -0.09 -0.26 3.84 0.00 0.00 -1.26 -4.74 105.19 102.70 2khr n GLY 38 Ca -0.16 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.76 3.66 -0.19 1.61 1.48 -1.26 -2.60 118.94 118.88 2khr s TRP 39 Ca 0.00 0.79 0.01 0.00 -1.06 0.00 0.00 56.10 55.84 2khr s TRP 39 Cb -0.00 -2.17 0.04 0.00 -1.16 0.00 0.00 33.47 30.19 2khr s TRP 39 CO 0.00 0.65 -0.10 1.03 -4.06 0.00 0.00 176.95 174.47 2khr s ARG 40 N -0.94 1.99 -0.42 3.25 3.00 0.14 -4.97 118.95 121.00 2khr s ARG 40 Ca 0.20 -0.81 -0.26 0.00 0.00 0.00 0.00 55.73 54.86 2khr s ARG 40 Cb -0.15 -2.37 0.02 0.00 0.00 0.00 0.00 34.95 32.45 2khr s ARG 40 CO 0.09 -0.42 0.95 0.08 0.00 0.00 0.00 175.30 176.00 2khr s VAL 41 N 1.42 4.49 0.02 3.52 1.01 -1.26 -0.43 120.40 129.17 2khr s VAL 41 Ca -0.01 1.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.83 2khr s VAL 41 Cb -0.16 -4.41 -0.35 0.00 0.00 0.00 0.00 36.38 31.46 2khr s VAL 41 CO -0.08 -0.71 0.98 0.58 0.00 0.00 0.00 175.10 175.86 2khr h VAL 42 N 5.98 1.29 -2.79 2.92 2.07 -1.22 -3.48 116.25 121.01 2khr h VAL 42 Ca -0.23 -2.68 -0.05 0.00 0.82 0.00 0.00 66.70 64.56 2khr h VAL 42 Cb 1.07 3.05 -0.15 0.00 -1.52 0.00 0.00 31.29 33.75 2khr h VAL 42 CO 1.02 0.80 0.10 -1.00 0.02 0.00 0.00 177.57 178.52 2khr s HIS 43 N -2.59 -0.47 0.00 1.57 3.76 -1.09 -5.02 115.29 111.46 2khr s HIS 43 Ca -0.10 0.47 0.00 0.00 -0.15 0.00 0.00 55.06 55.28 2khr s HIS 43 Cb 0.04 0.41 0.00 0.00 1.11 0.00 0.00 32.58 34.14 2khr s HIS 43 CO 0.94 -0.71 0.00 0.41 -0.85 0.00 0.00 174.74 174.53 2khr n GLY 44 N 0.18 0.47 3.55 -2.22 0.00 -1.26 -0.95 105.19 104.96 2khr n GLY 44 Ca -0.18 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 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 3.18 0.36 1.61 4.04 -1.23 -3.16 118.70 123.50 2khr s GLU 45 Ca 0.00 -0.31 0.08 0.00 0.04 0.00 0.00 54.97 54.78 2khr s GLU 45 Cb 0.00 -4.44 -0.04 0.00 0.02 0.00 0.00 34.13 29.67 2khr s GLU 45 CO 0.00 -2.26 0.16 0.00 -1.84 0.00 0.00 175.26 171.33 2khr s ALA 46 N 6.08 3.55 -0.01 -0.84 0.00 -1.25 -5.01 121.76 124.28 2khr s ALA 46 Ca 0.41 -1.89 -0.38 0.00 0.00 0.00 0.00 51.96 50.10 2khr s ALA 46 Cb -0.07 -0.67 -0.18 0.00 0.00 0.00 0.00 23.12 22.20 2khr s ALA 46 CO 0.11 -0.02 1.33 0.43 0.00 0.00 0.00 175.76 177.60 2khr n SER 47 N -1.19 1.28 -0.04 0.00 7.64 -1.26 -4.75 113.62 115.30 2khr n SER 47 Ca -0.02 1.13 -0.08 0.00 1.01 0.00 0.00 58.87 60.90 2khr n SER 47 Cb 0.62 -1.10 -0.02 0.00 -1.01 0.00 0.00 64.21 62.70 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 4.49 -0.20 -0.49 1.43 9.65 -1.97 0.48 114.38 127.77 2khr h ARG 48 Ca -0.48 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.44 2khr h ARG 48 Cb 1.36 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.95 2khr h ARG 48 CO 0.78 -0.13 0.29 0.00 2.80 0.00 0.00 179.97 183.70 2khr h ALA 49 N 0.88 0.63 -0.91 2.80 0.00 -1.99 -1.25 119.26 119.42 2khr h ALA 49 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2khr h ALA 49 Cb 0.40 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2khr h ALA 49 CO -0.34 -0.02 0.53 0.00 0.00 0.00 0.00 179.25 179.42 2khr h ALA 50 N 1.22 1.16 0.03 0.00 0.00 -1.74 0.22 119.26 120.16 2khr h ALA 50 Ca 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2khr h ALA 50 Cb 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2khr h ALA 50 CO -0.10 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.77 2khr h LEU 52 N -0.17 0.25 -0.78 0.00 4.07 -0.99 -1.10 115.31 116.58 2khr h LEU 52 Ca -0.00 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.04 2khr h LEU 52 Cb 0.15 -0.05 -0.07 0.00 1.08 0.00 0.00 40.66 41.77 2khr h LEU 52 CO 0.01 0.18 0.44 -0.78 -1.08 0.00 0.00 178.44 177.21 2khr h ASP 53 N 0.31 0.63 0.15 -0.43 3.58 -0.41 0.20 116.42 120.45 2khr h ASP 53 Ca 0.10 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 2khr h ASP 53 Cb -0.01 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.96 2khr h ASP 53 CO -0.04 0.38 -0.07 0.22 -2.88 0.00 0.00 179.24 176.84 2khr h TYR 54 N 0.76 -0.18 -0.13 0.28 3.20 -0.28 -0.63 116.97 119.98 2khr h TYR 54 Ca 0.37 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 62.08 2khr h TYR 54 Cb 0.31 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2khr h TYR 54 CO -0.07 -0.04 -0.59 -0.39 -1.64 0.00 0.00 178.16 175.43 2khr h VAL 55 N -0.28 1.35 -0.06 1.81 -1.51 -0.78 -2.88 116.25 113.89 2khr h VAL 55 Ca -0.02 -1.89 -0.15 0.00 -1.23 0.00 0.00 66.70 63.41 2khr h VAL 55 Cb 0.22 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2khr h VAL 55 CO 0.03 0.57 -0.62 -0.33 -1.23 0.00 0.00 177.57 176.00 2khr h GLU 56 N 0.31 0.22 0.00 5.19 5.08 -0.58 -0.31 114.58 124.50 2khr h GLU 56 Ca -0.00 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2khr h GLU 56 Cb 1.12 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 2khr h GLU 56 CO 0.10 0.77 -0.11 0.87 -1.00 0.00 0.00 179.01 179.64 2khr h LYS 57 N 0.16 0.00 -0.58 2.33 1.57 -1.01 -0.59 116.57 118.45 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 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2khr h LYS 57 CO 0.09 0.11 0.00 0.09 -0.57 0.00 0.00 179.45 179.17 2khr n ASN 58 N -4.13 2.83 -2.10 0.86 5.03 -0.68 -4.89 115.26 112.17 2khr n ASN 58 Ca -0.03 -2.24 -0.19 0.00 0.87 0.00 0.00 54.58 53.00 2khr n ASN 58 Cb 0.19 -0.43 -0.01 0.00 -1.02 0.00 0.00 39.78 38.51 2khr n ASN 58 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 2khr n TRP 59 N 0.52 -0.83 -3.12 3.10 8.01 -0.23 -4.93 117.44 119.96 2khr n TRP 59 Ca 0.14 0.00 -0.45 0.00 -1.31 0.00 0.00 57.50 55.88 2khr n TRP 59 Cb 0.54 -3.65 -0.03 0.00 -2.01 0.00 0.00 31.31 26.15 2khr n TRP 59 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 2khr s THR 60 N -2.92 5.00 -1.45 -0.99 2.01 -0.21 -4.45 115.64 112.62 2khr s THR 60 Ca 0.00 -1.52 -0.08 0.00 0.31 0.00 0.00 61.69 60.40 2khr s THR 60 Cb 0.00 -4.56 0.05 0.00 0.01 0.00 0.00 72.50 68.00 2khr s THR 60 CO 0.00 -1.20 0.85 -0.67 -0.69 0.00 0.00 174.62 172.91 2khr n ASP 61 N 5.79 -3.24 -4.73 3.53 2.03 -1.26 -4.34 116.55 114.33 2khr n ASP 61 Ca 0.05 -0.81 -0.42 0.00 0.52 0.00 0.00 54.79 54.13 2khr n ASP 61 Cb 0.45 -3.87 -0.03 0.00 -0.72 0.00 0.00 41.12 36.96 2khr n ASP 61 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2khr s LEU 62 N -7.06 4.37 -0.22 -2.67 2.34 -1.26 -4.97 118.68 109.21 2khr s LEU 62 Ca 0.40 2.68 0.02 0.00 0.06 0.00 0.00 54.13 57.29 2khr s LEU 62 Cb -0.20 -3.61 0.04 0.00 -0.56 0.00 0.00 46.19 41.86 2khr s LEU 62 CO 0.83 -0.79 -0.14 -0.13 -1.06 0.00 0.00 176.35 175.06 2khr s ARG 63 N 0.34 2.44 -1.01 1.48 1.81 -1.26 -5.05 118.95 117.70 2khr s ARG 63 Ca 0.65 -1.08 -0.24 0.00 -1.72 0.00 0.00 55.73 53.34 2khr s ARG 63 Cb -0.44 -2.69 -0.09 0.00 -0.45 0.00 0.00 34.95 31.29 2khr s ARG 63 CO 0.38 -0.43 2.00 -1.25 -0.68 0.00 0.00 175.30 175.32 2khr s PRO 64 N 1.22 2.33 0.00 3.54 0.04 -1.26 -4.65 135.00 136.22 2khr s PRO 64 Ca -0.03 -0.57 0.24 0.00 0.04 0.00 0.00 61.00 60.69 2khr s PRO 64 Cb -0.17 -5.10 0.34 0.00 0.04 0.00 0.00 34.50 29.61 2khr s PRO 64 CO -0.08 -3.88 1.30 0.36 0.04 0.00 0.00 177.00 174.74 2khr n LYS 65 N 8.58 0.91 -3.51 4.56 2.85 -1.26 -4.94 118.16 125.35 2khr n LYS 65 Ca 0.43 -0.67 -0.10 0.00 -1.05 0.00 0.00 58.31 56.92 2khr n LYS 65 Cb 0.46 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.33 2khr n LYS 65 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2khr s SER 66 N -2.55 -0.41 -0.11 -5.58 0.15 -1.26 -5.07 113.70 98.87 2khr s SER 66 Ca 0.20 0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.96 2khr s SER 66 Cb 0.18 0.41 -0.06 0.00 -1.71 0.00 0.00 66.02 64.84 2khr s SER 66 CO 0.57 -0.62 -0.11 -0.11 1.20 0.00 0.00 173.24 174.17 2khr n LEU 67 N -0.01 2.16 -3.84 3.45 -0.00 -1.26 -4.91 117.00 112.58 2khr n LEU 67 Ca -0.11 0.02 -0.30 0.00 -0.00 0.00 0.00 56.01 55.62 2khr n LEU 67 Cb 0.61 -0.36 -0.14 0.00 -0.00 0.00 0.00 43.42 43.53 2khr n LEU 67 CO 0.13 0.51 -0.27 -0.60 -0.00 0.00 0.00 177.39 177.15 2khr s ARG 68 N -2.21 1.34 0.04 1.96 3.52 -1.26 -5.10 118.95 117.24 2khr s ARG 68 Ca -0.15 -1.88 0.03 0.00 -0.13 0.00 0.00 55.73 53.61 2khr s ARG 68 Cb 0.05 -2.67 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 2khr s ARG 68 CO 0.23 -1.05 -0.00 0.34 -0.81 0.00 0.00 175.30 174.00 2khr s ASP 69 N 0.66 5.05 -0.93 -2.12 2.15 -1.26 -5.05 116.67 115.17 2khr s ASP 69 Ca 0.14 -0.09 -0.24 0.00 0.43 0.00 0.00 52.55 52.78 2khr s ASP 69 Cb -0.22 -1.26 0.04 0.00 -0.30 0.00 0.00 42.92 41.18 2khr s ASP 69 CO -0.08 0.23 1.43 0.00 -0.17 0.00 0.00 175.17 176.58 2khr s ALA 70 N -1.19 2.67 -0.95 3.66 0.00 -1.26 -4.84 121.76 119.85 2khr s ALA 70 Ca 0.22 -1.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.22 2khr s ALA 70 Cb -0.12 -4.45 0.31 0.00 0.00 0.00 0.00 23.12 18.86 2khr s ALA 70 CO 0.14 -3.59 1.46 -1.33 0.00 0.00 0.00 175.76 172.44 2khr n MET 71 N 9.03 4.46 0.00 0.00 2.81 -1.26 -4.75 117.12 127.41 2khr n MET 71 Ca 0.25 -4.65 0.12 0.00 -1.81 0.00 0.00 57.70 51.61 2khr n MET 71 Cb 0.50 -2.43 0.18 0.00 -0.71 0.00 0.00 33.22 30.76 2khr n MET 71 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 2khr n VAL 72 N 0.56 0.00 -1.49 2.03 3.14 -1.26 -4.94 118.33 116.37 2khr n VAL 72 Ca 0.35 -0.10 -0.13 0.00 -2.96 0.00 0.00 64.34 61.50 2khr n VAL 72 Cb 0.32 0.64 -0.05 0.00 -1.06 0.00 0.00 33.84 33.69 2khr n VAL 72 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2khr n GLU 73 N -0.87 -0.91 -0.55 1.45 -0.58 -1.26 -5.35 120.64 112.58 2khr n GLU 73 Ca 0.09 0.91 0.00 0.00 -0.42 0.00 0.00 57.16 57.73 2khr n GLU 73 Cb 0.37 -4.97 0.00 0.00 -0.57 0.00 0.00 31.44 26.27 2khr n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18