#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khr n SER 2 N 0.00 4.41 -2.80 1.61 7.64 -1.26 -4.93 113.62 118.29 2khr n SER 2 Ca 0.00 -2.48 -0.22 0.00 1.01 0.00 0.00 58.87 57.18 2khr n SER 2 Cb 0.00 -0.53 0.02 0.00 -1.01 0.00 0.00 64.21 62.69 2khr n SER 2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2khr n HIS 3 N 0.79 -1.63 -4.25 1.43 -0.00 -1.26 -4.97 115.22 105.34 2khr n HIS 3 Ca 0.23 0.33 -0.35 0.00 -0.00 0.00 0.00 57.72 57.93 2khr n HIS 3 Cb 0.83 -4.26 -0.09 0.00 -0.00 0.00 0.00 29.99 26.48 2khr n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2khr s MET 4 N -5.47 3.10 0.28 -0.41 0.00 -1.26 -5.11 119.30 110.43 2khr s MET 4 Ca 0.20 -0.34 -0.04 0.00 0.00 0.00 0.00 55.69 55.51 2khr s MET 4 Cb -0.09 -2.90 -0.05 0.00 0.00 0.00 0.00 34.83 31.80 2khr s MET 4 CO 0.24 0.72 0.52 -1.12 0.00 0.00 0.00 175.02 175.39 2khr s SER 5 N -0.91 6.42 -0.18 -1.18 0.01 -1.26 -5.09 113.70 111.50 2khr s SER 5 Ca 0.14 0.63 -0.07 0.00 1.31 0.00 0.00 55.95 57.96 2khr s SER 5 Cb -0.11 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 2khr s SER 5 CO 0.03 -0.18 0.06 -0.89 0.41 0.00 0.00 173.24 172.66 2khr s THR 6 N -2.07 4.73 -0.54 1.44 2.01 -1.26 -5.07 115.64 114.88 2khr s THR 6 Ca 0.43 -0.06 -0.14 0.00 0.31 0.00 0.00 61.69 62.23 2khr s THR 6 Cb -0.11 -3.13 0.13 0.00 0.01 0.00 0.00 72.50 69.41 2khr s THR 6 CO 0.30 0.46 0.47 0.20 -0.69 0.00 0.00 174.62 175.36 2khr s ASN 7 N 0.37 6.06 -0.01 3.53 -0.87 -1.26 -4.84 114.94 117.93 2khr s ASN 7 Ca 0.03 -1.90 0.21 0.00 -1.57 0.00 0.00 52.86 49.63 2khr s ASN 7 Cb -0.12 -2.14 -0.24 0.00 -0.02 0.00 0.00 41.25 38.72 2khr s ASN 7 CO 0.00 -0.78 0.77 -0.81 -2.57 0.00 0.00 177.10 173.71 2khr n PRO 8 N 5.04 0.23 -3.79 -0.60 -0.04 -1.26 -4.87 135.00 129.71 2khr n PRO 8 Ca -0.10 -0.07 -0.29 0.00 -0.04 0.00 0.00 63.50 63.00 2khr n PRO 8 Cb 0.41 -1.51 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 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 -3.18 1.78 0.33 0.54 0.08 -1.26 -5.11 117.98 111.16 2khr s PHE 9 Ca 0.02 -1.59 0.07 0.00 0.12 0.00 0.00 56.93 55.55 2khr s PHE 9 Cb 0.15 -1.58 -0.03 0.00 -0.57 0.00 0.00 43.02 40.99 2khr s PHE 9 CO 0.88 -0.79 0.26 -0.51 -0.10 0.00 0.00 175.22 174.95 2khr s ASP 10 N 1.60 1.69 -1.17 1.36 1.01 -1.26 -5.08 116.67 114.82 2khr s ASP 10 Ca 0.04 -1.74 -0.12 0.00 0.71 0.00 0.00 52.55 51.44 2khr s ASP 10 Cb -0.18 0.55 0.20 0.00 1.01 0.00 0.00 42.92 44.50 2khr s ASP 10 CO -0.16 -1.04 1.32 -1.81 0.21 0.00 0.00 175.17 173.69 2khr s ASP 11 N -3.38 7.14 0.00 0.27 1.01 -1.26 -4.67 116.67 115.77 2khr s ASP 11 Ca 0.39 -3.15 0.10 0.00 0.71 0.00 0.00 52.55 50.60 2khr s ASP 11 Cb 0.03 -2.34 0.19 0.00 1.01 0.00 0.00 42.92 41.81 2khr s ASP 11 CO 0.26 -0.61 1.06 -0.90 0.21 0.00 0.00 175.17 175.18 2khr n ASP 12 N 4.77 2.42 -4.55 0.27 5.75 -1.26 -4.84 116.55 119.11 2khr n ASP 12 Ca 0.32 -1.76 -0.42 0.00 -0.01 0.00 0.00 54.79 52.92 2khr n ASP 12 Cb 0.42 -0.12 -0.01 0.00 -1.03 0.00 0.00 41.12 40.37 2khr n ASP 12 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2khr s ASN 13 N -0.93 6.70 0.75 -1.12 2.47 -1.26 -4.89 114.94 116.66 2khr s ASN 13 Ca 0.17 -2.06 0.00 0.00 0.42 0.00 0.00 52.86 51.39 2khr s ASN 13 Cb 0.10 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 2khr s ASN 13 CO 0.13 -1.26 0.00 0.61 -3.72 0.00 0.00 177.10 172.87 2khr n GLY 14 N 5.89 1.54 3.02 1.21 0.00 -1.26 -4.84 105.19 110.74 2khr n GLY 14 Ca 0.39 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 0.28 0.02 4.61 0.00 -1.26 -5.08 121.76 118.33 2khr s ALA 15 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2khr s ALA 15 Cb 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 2khr s ALA 15 CO 0.00 -0.19 -0.02 -0.59 0.00 0.00 0.00 175.76 174.95 2khr s PHE 16 N -2.07 0.21 0.32 0.00 -0.12 -1.26 -0.83 117.98 114.23 2khr s PHE 16 Ca -0.09 -0.38 0.10 0.00 -0.05 0.00 0.00 56.93 56.51 2khr s PHE 16 Cb -0.05 -0.15 -0.06 0.00 -0.63 0.00 0.00 43.02 42.13 2khr s PHE 16 CO -0.03 -0.13 -0.08 -0.06 -0.05 0.00 0.00 175.22 174.87 2khr s PHE 17 N -1.04 2.45 -0.63 3.49 0.40 0.79 -3.32 117.98 120.11 2khr s PHE 17 Ca -0.11 -0.41 -0.20 0.00 -0.60 0.00 0.00 56.93 55.61 2khr s PHE 17 Cb -0.07 -1.29 0.09 0.00 0.51 0.00 0.00 43.02 42.26 2khr s PHE 17 CO -0.01 0.59 0.82 0.08 0.70 0.00 0.00 175.22 177.40 2khr s VAL 18 N -2.53 4.64 -0.18 -0.44 1.01 0.37 -0.51 120.40 122.77 2khr s VAL 18 Ca 0.32 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2khr s VAL 18 Cb -0.01 -4.57 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 2khr s VAL 18 CO 0.17 -1.26 0.03 -0.22 0.00 0.00 0.00 175.10 173.82 2khr s LEU 19 N 3.16 3.56 -0.05 3.92 2.96 0.37 -1.13 118.68 131.47 2khr s LEU 19 Ca 0.16 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 2khr s LEU 19 Cb -0.21 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.59 2khr s LEU 19 CO 0.07 0.14 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.39 2khr s VAL 20 N 0.58 1.33 0.08 1.68 1.01 -0.09 -1.34 120.40 123.66 2khr s VAL 20 Ca 0.01 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2khr s VAL 20 Cb -0.13 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2khr s VAL 20 CO 0.02 0.39 0.11 0.21 0.00 0.00 0.00 175.10 175.83 2khr s ASN 21 N 0.21 5.68 0.26 3.32 2.47 -1.26 -1.79 114.94 123.83 2khr s ASN 21 Ca -0.07 0.03 0.23 0.00 0.42 0.00 0.00 52.86 53.47 2khr s ASN 21 Cb -0.13 -1.57 1.00 0.00 -1.45 0.00 0.00 41.25 39.10 2khr s ASN 21 CO 0.03 0.16 1.69 -0.90 -3.72 0.00 0.00 177.10 174.36 2khr n ASP 22 N 0.36 0.63 -1.03 -4.21 5.75 -1.26 -0.65 116.55 116.15 2khr n ASP 22 Ca -0.08 0.68 0.08 0.00 -0.01 0.00 0.00 54.79 55.46 2khr n ASP 22 Cb 0.52 -0.80 0.27 0.00 -1.03 0.00 0.00 41.12 40.07 2khr n ASP 22 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2khr n GLU 23 N -2.22 3.23 -1.30 0.11 1.02 -1.26 -4.98 120.64 115.24 2khr n GLU 23 Ca 0.02 -2.72 0.00 0.00 -0.02 0.00 0.00 57.16 54.43 2khr n GLU 23 Cb 0.19 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 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 0.00 1.06 0.03 1.62 -0.08 0.18 -5.11 116.55 114.25 2khr n ASP 24 Ca 0.21 -0.65 0.00 0.00 -1.51 0.00 0.00 54.79 52.84 2khr n ASP 24 Cb 0.83 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.29 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 0.00 -3.60 -0.67 6.02 -1.26 -4.75 117.38 113.12 2khr n GLN 25 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 2khr n GLN 25 Cb 0.00 -0.36 -0.06 0.00 1.02 0.00 0.00 30.24 30.83 2khr n GLN 25 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 2khr s HIS 26 N -2.00 -0.50 -0.14 1.08 -3.43 -1.26 -4.86 115.29 104.17 2khr s HIS 26 Ca 0.00 1.07 -0.07 0.00 -0.80 0.00 0.00 55.06 55.26 2khr s HIS 26 Cb 0.00 0.39 0.06 0.00 -1.43 0.00 0.00 32.58 31.60 2khr s HIS 26 CO 0.00 -0.34 0.32 -1.12 -2.00 0.00 0.00 174.74 171.60 2khr s SER 27 N -0.42 -0.23 -0.48 7.38 0.01 -0.45 -5.02 113.70 114.49 2khr s SER 27 Ca -0.01 0.70 -0.26 0.00 1.31 0.00 0.00 55.95 57.70 2khr s SER 27 Cb -0.03 0.68 0.03 0.00 0.21 0.00 0.00 66.02 66.91 2khr s SER 27 CO -0.00 -0.19 0.96 -0.76 0.41 0.00 0.00 173.24 173.65 2khr s LEU 28 N 1.66 3.97 -0.28 2.44 2.01 -1.26 -0.48 118.68 126.73 2khr s LEU 28 Ca -0.07 0.06 -0.07 0.00 0.01 0.00 0.00 54.13 54.06 2khr s LEU 28 Cb -0.10 -3.15 -0.00 0.00 0.01 0.00 0.00 46.19 42.94 2khr s LEU 28 CO -0.10 -1.12 0.08 0.86 1.01 0.00 0.00 176.35 177.08 2khr s TRP 29 N 3.90 3.13 0.30 0.29 -0.11 0.34 -4.88 118.94 121.90 2khr s TRP 29 Ca 0.37 -0.81 -0.29 0.00 1.22 0.00 0.00 56.10 56.59 2khr s TRP 29 Cb -0.10 -2.25 -0.10 0.00 -1.50 0.00 0.00 33.47 29.52 2khr s TRP 29 CO 0.25 -0.52 1.25 -2.14 -4.62 0.00 0.00 176.95 171.18 2khr s PRO 30 N 1.54 4.44 0.00 5.86 0.02 -1.26 -0.15 135.00 145.45 2khr s PRO 30 Ca 0.04 2.08 0.26 0.00 0.02 0.00 0.00 61.00 63.39 2khr s PRO 30 Cb -0.17 -3.12 1.48 0.00 0.02 0.00 0.00 34.50 32.71 2khr s PRO 30 CO 0.03 -0.08 1.88 1.33 -0.33 0.00 0.00 177.00 179.83 2khr n VAL 31 N 1.12 0.05 0.07 3.83 0.24 -0.01 -2.71 118.33 120.92 2khr n VAL 31 Ca 0.00 0.01 -0.02 0.00 -2.04 0.00 0.00 64.34 62.29 2khr n VAL 31 Cb 0.43 -0.61 0.22 0.00 -1.47 0.00 0.00 33.84 32.41 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 0.36 -2.86 6.34 3.57 -1.91 -3.42 116.94 119.01 2khr h PHE 32 Ca 0.00 -0.09 -0.67 0.00 3.53 0.00 0.00 57.97 60.74 2khr h PHE 32 Cb 0.05 -0.08 -0.10 0.00 2.79 0.00 0.00 35.95 38.61 2khr h PHE 32 CO 0.00 0.64 -0.52 0.00 -2.23 0.00 0.00 178.31 176.19 2khr s ALA 33 N -4.26 3.69 0.36 2.41 0.00 -1.10 -5.08 121.76 117.79 2khr s ALA 33 Ca -0.05 -0.69 -0.26 0.00 0.00 0.00 0.00 51.96 50.95 2khr s ALA 33 Cb 0.13 -1.82 -0.09 0.00 0.00 0.00 0.00 23.12 21.35 2khr s ALA 33 CO 0.78 0.61 1.12 0.34 0.00 0.00 0.00 175.76 178.61 2khr s ASP 34 N -0.97 6.79 0.19 0.00 2.15 -1.26 -4.88 116.67 118.69 2khr s ASP 34 Ca 0.14 2.26 -0.30 0.00 0.43 0.00 0.00 52.55 55.08 2khr s ASP 34 Cb -0.12 -2.61 -0.09 0.00 -0.30 0.00 0.00 42.92 39.80 2khr s ASP 34 CO 0.03 -0.48 1.35 -0.63 -0.17 0.00 0.00 175.17 175.27 2khr s ILE 35 N -1.40 3.14 0.00 4.11 1.01 -1.26 -5.03 121.20 121.76 2khr s ILE 35 Ca 0.54 0.91 0.00 0.00 0.00 0.00 0.00 60.65 62.10 2khr s ILE 35 Cb -0.29 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2khr s ILE 35 CO 0.37 0.13 0.00 -0.81 0.00 0.00 0.00 174.94 174.62 2khr n PRO 36 N 2.83 0.28 -2.91 2.79 -0.04 -1.26 -5.08 135.00 131.62 2khr n PRO 36 Ca 0.07 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.35 2khr n PRO 36 Cb 0.42 0.00 0.02 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 -2.88 4.36 -0.88 0.55 0.00 -1.26 -4.55 121.76 117.11 2khr s ALA 37 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.37 2khr s ALA 37 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.37 2khr s ALA 37 CO 0.00 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.75 2khr n GLY 38 N -2.00 -0.03 3.94 0.00 0.00 -1.26 -5.01 105.19 100.83 2khr n GLY 38 Ca 0.08 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.51 3.49 -0.15 1.61 1.48 -1.26 -4.36 118.94 117.24 2khr s TRP 39 Ca 0.00 0.20 -0.07 0.00 -1.06 0.00 0.00 56.10 55.18 2khr s TRP 39 Cb 0.00 -1.74 0.06 0.00 -1.16 0.00 0.00 33.47 30.64 2khr s TRP 39 CO 0.00 0.48 0.34 0.50 -4.06 0.00 0.00 176.95 174.21 2khr s ARG 40 N -3.19 0.28 -0.33 3.25 6.06 -0.74 -4.98 118.95 119.30 2khr s ARG 40 Ca 0.36 0.76 -0.19 0.00 -2.50 0.00 0.00 55.73 54.16 2khr s ARG 40 Cb -0.11 0.02 -0.01 0.00 0.06 0.00 0.00 34.95 34.91 2khr s ARG 40 CO 0.29 -0.20 0.58 0.08 -2.50 0.00 0.00 175.30 173.55 2khr s VAL 41 N 1.80 4.96 -0.08 7.11 1.01 -1.26 -0.91 120.40 133.02 2khr s VAL 41 Ca -0.06 0.62 0.14 0.00 0.00 0.00 0.00 61.98 62.69 2khr s VAL 41 Cb -0.10 -3.99 -0.23 0.00 0.00 0.00 0.00 36.38 32.06 2khr s VAL 41 CO -0.11 -0.19 0.54 0.52 0.00 0.00 0.00 175.10 175.87 2khr n VAL 42 N 5.43 1.51 -3.65 2.92 0.31 -0.28 -4.97 118.33 119.60 2khr n VAL 42 Ca -0.03 -0.80 -0.15 0.00 -0.01 0.00 0.00 64.34 63.36 2khr n VAL 42 Cb 0.49 -0.87 -0.08 0.00 -0.91 0.00 0.00 33.84 32.47 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 -2.61 -0.56 0.00 3.52 2.46 -1.23 -5.00 115.29 111.87 2khr s HIS 43 Ca -0.06 1.18 0.00 0.00 0.47 0.00 0.00 55.06 56.65 2khr s HIS 43 Cb 0.08 0.25 0.00 0.00 -0.13 0.00 0.00 32.58 32.78 2khr s HIS 43 CO 0.83 -0.41 0.00 0.41 -2.47 0.00 0.00 174.74 173.09 2khr n GLY 44 N 1.93 1.14 3.51 1.59 0.00 -1.26 -0.48 105.19 111.62 2khr n GLY 44 Ca -0.17 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 0.95 3.23 0.17 1.61 4.04 -1.21 -4.17 118.70 123.32 2khr s GLU 45 Ca 0.00 -0.68 0.06 0.00 0.04 0.00 0.00 54.97 54.39 2khr s GLU 45 Cb 0.00 -4.38 -0.05 0.00 0.02 0.00 0.00 34.13 29.73 2khr s GLU 45 CO 0.00 -2.00 -0.11 0.00 -1.84 0.00 0.00 175.26 171.31 2khr s ALA 46 N 4.78 1.66 -0.08 -0.84 0.00 -1.26 -4.98 121.76 121.04 2khr s ALA 46 Ca 0.31 -1.56 -0.40 0.00 0.00 0.00 0.00 51.96 50.31 2khr s ALA 46 Cb -0.10 0.02 -0.19 0.00 0.00 0.00 0.00 23.12 22.84 2khr s ALA 46 CO 0.09 -0.05 1.11 0.43 0.00 0.00 0.00 175.76 177.34 2khr n SER 47 N -0.27 0.18 -0.16 0.00 7.64 -1.26 -4.61 113.62 115.14 2khr n SER 47 Ca -0.09 1.12 -0.02 0.00 1.01 0.00 0.00 58.87 60.89 2khr n SER 47 Cb 0.61 -0.88 0.06 0.00 -1.01 0.00 0.00 64.21 62.99 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 3.20 0.13 -0.85 1.43 1.12 -1.97 0.84 114.38 118.28 2khr h ARG 48 Ca -0.48 -0.01 0.05 0.00 -1.11 0.00 0.00 59.98 58.43 2khr h ARG 48 Cb 1.37 -0.03 -0.05 0.00 -0.01 0.00 0.00 29.97 31.25 2khr h ARG 48 CO 0.68 0.09 0.56 0.00 -3.11 0.00 0.00 179.97 178.18 2khr h ALA 49 N 1.45 1.51 -0.06 2.80 0.00 -1.99 0.14 119.26 123.11 2khr h ALA 49 Ca 0.26 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 2khr h ALA 49 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2khr h ALA 49 CO -0.41 0.39 -0.72 0.00 0.00 0.00 0.00 179.25 178.51 2khr h ALA 50 N 1.52 0.66 -0.15 0.00 0.00 -1.26 0.93 119.26 120.96 2khr h ALA 50 Ca 0.35 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2khr h ALA 50 Cb 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2khr h ALA 50 CO -0.12 0.78 -0.11 0.00 0.00 0.00 0.00 179.25 179.81 2khr h LEU 52 N -0.03 0.24 -0.30 0.00 4.07 -0.96 -1.12 115.31 117.22 2khr h LEU 52 Ca 0.03 0.03 0.05 0.00 0.08 0.00 0.00 57.88 58.06 2khr h LEU 52 Cb 0.61 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.29 2khr h LEU 52 CO 0.03 0.18 0.01 -0.78 -1.08 0.00 0.00 178.44 176.80 2khr h ASP 53 N 0.37 -0.09 0.09 -0.43 3.58 -0.71 0.27 116.42 119.50 2khr h ASP 53 Ca 0.17 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2khr h ASP 53 Cb 0.10 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2khr h ASP 53 CO -0.14 -0.01 -0.09 0.22 -2.88 0.00 0.00 179.24 176.34 2khr h TYR 54 N 0.10 -0.22 -0.33 0.28 3.20 -0.47 -1.05 116.97 118.49 2khr h TYR 54 Ca 0.14 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.87 2khr h TYR 54 Cb 0.18 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 2khr h TYR 54 CO -0.21 -0.14 -0.37 -0.39 -1.64 0.00 0.00 178.16 175.41 2khr h VAL 55 N -0.20 1.29 -0.31 1.81 -1.51 -1.01 -2.73 116.25 113.60 2khr h VAL 55 Ca 0.00 -1.55 -0.17 0.00 -1.23 0.00 0.00 66.70 63.76 2khr h VAL 55 Cb 0.19 1.51 -0.00 0.00 -2.13 0.00 0.00 31.29 30.85 2khr h VAL 55 CO -0.02 0.51 -0.47 -0.33 -1.23 0.00 0.00 177.57 176.03 2khr h GLU 56 N 0.61 0.82 0.00 5.19 4.39 -0.89 0.20 114.58 124.90 2khr h GLU 56 Ca 0.05 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2khr h GLU 56 Cb 0.96 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2khr h GLU 56 CO 0.09 1.11 0.00 0.87 -1.16 0.00 0.00 179.01 179.92 2khr h LYS 57 N 0.65 0.00 0.03 2.33 1.57 -1.21 -3.27 116.57 116.67 2khr h LYS 57 Ca 0.04 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.46 2khr h LYS 57 Cb 1.05 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 2khr h LYS 57 CO 0.10 0.00 -1.98 0.09 -0.57 0.00 0.00 179.45 177.09 2khr n ASN 58 N -2.87 1.98 -3.66 0.86 3.02 -1.01 -4.95 115.26 108.62 2khr n ASN 58 Ca 0.02 0.24 -0.09 0.00 -0.03 0.00 0.00 54.58 54.72 2khr n ASN 58 Cb 0.35 -0.81 -0.10 0.00 -0.61 0.00 0.00 39.78 38.61 2khr n ASN 58 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 2khr s TRP 59 N -2.48 -0.75 -0.19 3.10 -2.14 0.68 -5.03 118.94 112.12 2khr s TRP 59 Ca -0.30 1.45 -0.09 0.00 2.66 0.00 0.00 56.10 59.81 2khr s TRP 59 Cb 0.09 0.26 -0.08 0.00 -3.10 0.00 0.00 33.47 30.63 2khr s TRP 59 CO 0.62 -0.46 -0.25 0.25 -2.66 0.00 0.00 176.95 174.45 2khr n THR 60 N 5.36 1.06 -4.38 0.66 -2.24 -1.25 -4.24 114.28 109.24 2khr n THR 60 Ca -0.09 -0.27 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 2khr n THR 60 Cb 0.50 -1.75 -0.12 0.00 -2.10 0.00 0.00 70.33 66.85 2khr n THR 60 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2khr s ASP 61 N -6.71 3.47 -0.35 3.42 2.15 -1.26 -5.03 116.67 112.35 2khr s ASP 61 Ca -0.27 -0.73 0.01 0.00 0.43 0.00 0.00 52.55 51.99 2khr s ASP 61 Cb 0.10 -0.30 0.36 0.00 -0.30 0.00 0.00 42.92 42.78 2khr s ASP 61 CO 0.34 0.17 1.80 0.18 -0.17 0.00 0.00 175.17 177.48 2khr n LEU 62 N 0.75 6.08 -4.68 -1.34 4.77 -1.26 -4.93 117.00 116.40 2khr n LEU 62 Ca -0.16 -3.20 -0.46 0.00 -0.03 0.00 0.00 56.01 52.15 2khr n LEU 62 Cb 0.54 -0.87 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 2khr n LEU 62 CO 0.25 1.07 1.52 -1.14 -1.33 0.00 0.00 177.39 177.76 2khr n ARG 63 N -0.30 2.41 -0.99 3.23 0.00 -1.26 -4.72 116.66 115.03 2khr n ARG 63 Ca 0.39 0.88 -0.43 0.00 -0.00 0.00 0.00 57.85 58.69 2khr n ARG 63 Cb 0.94 -2.76 -0.08 0.00 0.00 0.00 0.00 32.46 30.56 2khr n ARG 63 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2khr n PRO 64 N 6.76 0.00 -0.08 -0.14 -0.02 -1.26 -4.85 135.00 135.41 2khr n PRO 64 Ca 0.21 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.60 2khr n PRO 64 Cb 0.33 -1.02 -0.10 0.00 -0.02 0.00 0.00 33.50 32.69 2khr n PRO 64 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2khr n LYS 65 N 4.10 1.15 -3.38 -0.52 3.00 -1.26 -4.84 118.16 116.41 2khr n LYS 65 Ca 0.31 0.04 -0.44 0.00 -0.00 0.00 0.00 58.31 58.21 2khr n LYS 65 Cb -0.03 -1.37 -0.07 0.00 0.00 0.00 0.00 35.03 33.55 2khr n LYS 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2khr s SER 66 N -5.20 6.15 -1.22 3.14 0.15 -1.26 -5.00 113.70 110.46 2khr s SER 66 Ca -0.15 -1.33 -0.18 0.00 0.70 0.00 0.00 55.95 54.99 2khr s SER 66 Cb 0.05 -2.19 0.09 0.00 -1.71 0.00 0.00 66.02 62.26 2khr s SER 66 CO 0.52 -0.66 1.61 -0.22 1.20 0.00 0.00 173.24 175.70 2khr s LEU 67 N 1.67 4.03 -0.18 3.45 2.96 -1.26 -4.88 118.68 124.47 2khr s LEU 67 Ca 0.04 -2.34 -0.00 0.00 -0.22 0.00 0.00 54.13 51.60 2khr s LEU 67 Cb -0.24 -2.54 0.05 0.00 0.50 0.00 0.00 46.19 43.95 2khr s LEU 67 CO 0.07 -1.16 -0.05 0.00 -1.32 0.00 0.00 176.35 173.89 2khr s ARG 68 N 3.87 1.41 -1.19 1.98 1.70 -1.26 -5.06 118.95 120.39 2khr s ARG 68 Ca 0.50 -0.57 -0.20 0.00 -0.47 0.00 0.00 55.73 54.99 2khr s ARG 68 Cb 0.02 -2.09 0.07 0.00 -0.57 0.00 0.00 34.95 32.38 2khr s ARG 68 CO 0.03 -0.47 1.62 0.34 -1.08 0.00 0.00 175.30 175.74 2khr s ASP 69 N 1.62 6.73 -0.36 -2.89 2.15 -1.26 -4.78 116.67 117.87 2khr s ASP 69 Ca -0.00 -2.12 0.04 0.00 0.43 0.00 0.00 52.55 50.90 2khr s ASP 69 Cb -0.16 -2.57 0.16 0.00 -0.30 0.00 0.00 42.92 40.06 2khr s ASP 69 CO -0.08 -1.27 0.45 0.00 -0.17 0.00 0.00 175.17 174.11 2khr s ALA 70 N 4.36 -1.13 -0.56 3.66 0.00 -1.26 -5.11 121.76 121.73 2khr s ALA 70 Ca 0.50 -0.39 -0.23 0.00 0.00 0.00 0.00 51.96 51.84 2khr s ALA 70 Cb 0.02 -2.24 0.05 0.00 0.00 0.00 0.00 23.12 20.95 2khr s ALA 70 CO 0.01 -2.07 0.89 1.41 0.00 0.00 0.00 175.76 176.00 2khr s MET 71 N 1.79 3.26 -0.63 0.00 0.00 -1.26 -4.99 119.30 117.47 2khr s MET 71 Ca 0.15 -0.47 -0.16 0.00 0.00 0.00 0.00 55.69 55.21 2khr s MET 71 Cb -0.12 -4.09 0.15 0.00 0.00 0.00 0.00 34.83 30.77 2khr s MET 71 CO -0.10 -1.50 0.62 0.08 0.00 0.00 0.00 175.02 174.12 2khr s VAL 72 N 3.75 5.22 0.35 10.11 1.01 -1.26 -5.04 120.40 134.53 2khr s VAL 72 Ca 0.26 -1.64 0.01 0.00 0.00 0.00 0.00 61.98 60.61 2khr s VAL 72 Cb -0.14 -4.41 0.07 0.00 0.00 0.00 0.00 36.38 31.89 2khr s VAL 72 CO 0.16 -0.98 0.48 -0.62 0.00 0.00 0.00 175.10 174.14 2khr n GLU 73 N 5.19 0.36 0.00 2.72 1.02 -1.26 -5.35 120.64 123.32 2khr n GLU 73 Ca -0.05 -1.38 0.13 0.00 -0.02 0.00 0.00 57.16 55.84 2khr n GLU 73 Cb 0.42 -0.29 0.38 0.00 -0.02 0.00 0.00 31.44 31.94 2khr n GLU 73 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84