#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krk n GLY 2 N 0.00 0.33 2.49 3.03 0.00 -1.26 -4.88 105.19 104.90 2krk n GLY 2 Ca 0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 2krk n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2krk n HIS 3 N -0.02 -0.12 0.45 1.61 -0.00 -1.26 -4.86 115.22 111.02 2krk n HIS 3 Ca 0.05 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.88 2krk n HIS 3 Cb 0.22 -3.09 0.45 0.00 -0.00 0.00 0.00 29.99 27.57 2krk n HIS 3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2krk n HIS 4 N -2.70 0.64 0.01 4.41 8.25 -1.26 -3.02 115.22 121.55 2krk n HIS 4 Ca -0.18 0.24 -0.18 0.00 -0.26 0.00 0.00 57.72 57.34 2krk n HIS 4 Cb 0.59 -0.89 -0.14 0.00 1.12 0.00 0.00 29.99 30.67 2krk n HIS 4 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2krk h HIS 5 N 0.00 0.39 -2.81 4.41 -0.00 -2.01 -3.48 115.15 111.66 2krk h HIS 5 Ca 0.00 -0.27 -0.11 0.00 -0.00 0.00 0.00 60.37 59.99 2krk h HIS 5 Cb 0.38 -0.02 -0.21 0.00 -0.00 0.00 0.00 27.41 27.56 2krk h HIS 5 CO 0.00 1.19 -0.19 -3.38 -0.00 0.00 0.00 177.93 175.55 2krk s HIS 6 N -2.48 -0.31 -0.19 2.45 -0.00 -1.17 -5.15 115.29 108.43 2krk s HIS 6 Ca -0.15 0.57 -0.13 0.00 -0.00 0.00 0.00 55.06 55.34 2krk s HIS 6 Cb 0.00 0.16 -0.05 0.00 -0.00 0.00 0.00 32.58 32.69 2krk s HIS 6 CO 0.79 -0.39 0.28 -3.38 -0.00 0.00 0.00 174.74 172.03 2krk s HIS 7 N -1.01 3.40 -0.08 0.38 0.00 -1.26 -4.82 115.29 111.89 2krk s HIS 7 Ca -0.11 0.50 0.00 0.00 -3.00 0.00 0.00 55.06 52.45 2krk s HIS 7 Cb -0.04 -2.37 0.07 0.00 -4.00 0.00 0.00 32.58 26.25 2krk s HIS 7 CO 0.04 0.13 1.65 -2.39 -1.00 0.00 0.00 174.74 173.17 2krk n HIS 8 N 4.00 0.43 -3.53 0.38 -0.00 -1.26 -4.79 115.22 110.45 2krk n HIS 8 Ca -0.12 -1.04 -0.17 0.00 -0.00 0.00 0.00 57.72 56.40 2krk n HIS 8 Cb 0.52 -0.51 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 2krk n HIS 8 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2krk s SER 9 N 1.16 -0.64 -1.09 4.39 0.15 -1.26 -4.60 113.70 111.82 2krk s SER 9 Ca 0.08 0.72 -0.19 0.00 0.70 0.00 0.00 55.95 57.27 2krk s SER 9 Cb 0.07 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.93 2krk s SER 9 CO 0.01 -0.57 0.77 1.41 1.20 0.00 0.00 173.24 176.06 2krk n HIS 10 N 0.97 -1.97 -3.05 3.44 -0.00 -1.26 -4.97 115.22 108.38 2krk n HIS 10 Ca -0.18 0.50 -0.40 0.00 -0.00 0.00 0.00 57.72 57.65 2krk n HIS 10 Cb 0.57 -3.40 -0.05 0.00 -0.00 0.00 0.00 29.99 27.11 2krk n HIS 10 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2krk s PRO 11 N -5.77 4.44 1.26 -0.41 0.04 -1.26 -5.07 135.00 128.22 2krk s PRO 11 Ca 0.42 0.92 -0.17 0.00 0.04 0.00 0.00 61.00 62.21 2krk s PRO 11 Cb -0.15 -3.40 0.31 0.00 0.04 0.00 0.00 34.50 31.30 2krk s PRO 11 CO 0.86 0.20 1.00 -0.80 0.04 0.00 0.00 177.00 178.30 2krk s ASN 12 N 0.30 0.26 0.18 6.66 -0.87 -1.26 -4.41 114.94 115.80 2krk s ASN 12 Ca 0.37 1.15 -0.19 0.00 -1.57 0.00 0.00 52.86 52.62 2krk s ASN 12 Cb -0.19 -1.74 0.12 0.00 -0.02 0.00 0.00 41.25 39.42 2krk s ASN 12 CO 0.20 -4.59 1.62 -0.08 -2.57 0.00 0.00 177.10 171.68 2krk h GLU 13 N -2.89 -0.14 -0.10 -0.60 4.81 -1.97 -0.19 114.58 113.50 2krk h GLU 13 Ca -0.54 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2krk h GLU 13 Cb 1.34 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 2krk h GLU 13 CO 0.42 -0.09 0.06 0.93 -0.73 0.00 0.00 179.01 179.59 2krk h GLU 14 N -0.14 0.12 -0.06 1.92 5.08 -1.99 -0.84 114.58 118.66 2krk h GLU 14 Ca 0.21 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2krk h GLU 14 Cb 0.48 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2krk h GLU 14 CO -0.55 0.08 0.04 0.00 -1.00 0.00 0.00 179.01 177.58 2krk h ALA 15 N 1.04 0.08 -0.19 3.43 0.00 -1.74 -1.17 119.26 120.72 2krk h ALA 15 Ca 0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2krk h ALA 15 Cb -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2krk h ALA 15 CO -0.02 -0.40 -0.14 0.07 0.00 0.00 0.00 179.25 178.76 2krk h ARG 16 N 0.03 0.31 -0.79 0.00 0.11 -1.03 -2.24 114.38 110.77 2krk h ARG 16 Ca 0.02 -0.08 -0.04 0.00 0.10 0.00 0.00 59.98 59.99 2krk h ARG 16 Cb 0.05 -0.04 -0.04 0.00 1.11 0.00 0.00 29.97 31.06 2krk h ARG 16 CO -0.00 0.46 0.35 1.25 0.10 0.00 0.00 179.97 182.13 2krk h LEU 17 N 0.29 1.06 -0.84 0.08 5.85 -0.73 -2.73 115.31 118.29 2krk h LEU 17 Ca 0.06 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.69 2krk h LEU 17 Cb 0.43 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 2krk h LEU 17 CO 0.03 0.91 0.52 0.44 -0.34 0.00 0.00 178.44 180.00 2krk h ASP 18 N 1.14 0.84 -0.54 1.25 3.32 -0.60 -1.36 116.42 120.46 2krk h ASP 18 Ca 0.27 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.35 2krk h ASP 18 Cb 0.16 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 2krk h ASP 18 CO -0.03 0.55 0.33 0.40 -1.72 0.00 0.00 179.24 178.78 2krk h ILE 19 N 0.98 1.07 -0.46 0.35 2.04 -1.35 -1.93 117.51 118.21 2krk h ILE 19 Ca 0.35 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 66.00 2krk h ILE 19 Cb 0.11 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 2krk h ILE 19 CO -0.15 0.12 0.29 -0.07 0.00 0.00 0.00 178.15 178.34 2krk h LEU 20 N 0.66 0.48 0.16 1.44 3.38 -1.21 -2.25 115.31 117.96 2krk h LEU 20 Ca 0.21 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.20 2krk h LEU 20 Cb 0.00 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2krk h LEU 20 CO -0.09 0.34 -0.40 0.11 0.09 0.00 0.00 178.44 178.50 2krk h LYS 21 N 0.58 -0.63 -0.77 1.13 1.57 -0.82 -1.99 116.57 115.63 2krk h LYS 21 Ca 0.18 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 2krk h LYS 21 Cb -0.02 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 2krk h LYS 21 CO -0.06 -0.42 0.38 0.82 -0.57 0.00 0.00 179.45 179.59 2krk h ILE 22 N -0.66 1.24 0.00 1.86 2.04 -1.27 -2.52 117.51 118.21 2krk h ILE 22 Ca 0.02 -0.68 -0.20 0.00 1.00 0.00 0.00 64.86 65.00 2krk h ILE 22 Cb 0.67 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2krk h ILE 22 CO -0.21 0.29 -0.98 0.45 0.00 0.00 0.00 178.15 177.70 2krk h HIS 23 N 1.09 0.00 -0.02 1.37 3.86 -1.36 -3.31 115.15 116.78 2krk h HIS 23 Ca 0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 2krk h HIS 23 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 2krk h HIS 23 CO 0.01 0.89 -0.09 -1.13 0.86 0.00 0.00 177.93 178.47 2krk n SER 24 N -3.28 2.48 -0.23 2.45 3.41 -0.76 -4.59 113.62 113.11 2krk n SER 24 Ca -0.01 -1.78 0.28 0.00 -0.26 0.00 0.00 58.87 57.10 2krk n SER 24 Cb 0.91 0.08 0.69 0.00 -0.26 0.00 0.00 64.21 65.63 2krk n SER 24 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2krk h ARG 25 N 3.75 0.08 -0.00 4.33 0.11 -1.54 -1.11 114.38 120.00 2krk h ARG 25 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2krk h ARG 25 Cb 0.85 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.91 2krk h ARG 25 CO 0.00 0.05 -0.47 1.63 0.10 0.00 0.00 179.97 181.28 2krk n LYS 26 N -4.31 0.44 -3.26 0.08 5.02 -1.26 -4.93 118.16 109.93 2krk n LYS 26 Ca 0.21 -0.29 -0.32 0.00 -2.02 0.00 0.00 58.31 55.88 2krk n LYS 26 Cb 0.98 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.44 2krk n LYS 26 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2krk s MET 27 N -2.76 3.92 -0.91 1.97 -1.94 -0.42 -4.96 119.30 114.20 2krk s MET 27 Ca 0.16 0.50 -0.22 0.00 -1.71 0.00 0.00 55.69 54.42 2krk s MET 27 Cb 0.18 -2.55 -0.14 0.00 2.01 0.00 0.00 34.83 34.34 2krk s MET 27 CO 0.64 0.24 1.92 0.09 -0.01 0.00 0.00 175.02 177.90 2krk n ASN 28 N -0.21 2.71 -4.75 3.03 3.02 -1.26 -4.93 115.26 112.87 2krk n ASN 28 Ca 0.02 -2.68 -0.41 0.00 -0.03 0.00 0.00 54.58 51.48 2krk n ASN 28 Cb 0.53 -1.33 -0.04 0.00 -0.61 0.00 0.00 39.78 38.33 2krk n ASN 28 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2krk s LEU 29 N 4.71 4.50 0.30 3.41 1.43 -1.26 0.73 118.68 132.50 2krk s LEU 29 Ca 0.62 2.24 -0.30 0.00 -1.03 0.00 0.00 54.13 55.66 2krk s LEU 29 Cb 0.09 -3.62 -0.11 0.00 0.03 0.00 0.00 46.19 42.58 2krk s LEU 29 CO 0.13 -0.26 1.59 0.28 0.23 0.00 0.00 176.35 178.32 2krk s THR 30 N -0.56 2.06 0.21 5.49 -1.32 -0.04 -4.86 115.64 116.61 2krk s THR 30 Ca 0.49 0.05 -0.30 0.00 -1.21 0.00 0.00 61.69 60.71 2krk s THR 30 Cb -0.32 -3.03 -0.10 0.00 -1.51 0.00 0.00 72.50 67.54 2krk s THR 30 CO 0.39 0.01 1.44 -0.13 -2.21 0.00 0.00 174.62 174.11 2krk s ARG 31 N -0.55 4.28 0.00 7.08 0.52 -1.26 -2.33 118.95 126.69 2krk s ARG 31 Ca 0.63 2.25 0.00 0.00 -0.52 0.00 0.00 55.73 58.09 2krk s ARG 31 Cb -0.48 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 31.85 2krk s ARG 31 CO 0.48 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.79 2krk n GLY 32 N 2.64 0.46 3.70 -3.53 0.00 -1.26 -5.03 105.19 102.17 2krk n GLY 32 Ca 0.08 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2krk n GLY 32 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2krk s ILE 33 N -2.00 3.77 -0.76 -0.61 2.07 -0.99 -4.98 121.20 117.70 2krk s ILE 33 Ca 0.00 1.20 -0.19 0.00 -1.41 0.00 0.00 60.65 60.24 2krk s ILE 33 Cb 0.00 -3.77 0.12 0.00 0.13 0.00 0.00 42.46 38.94 2krk s ILE 33 CO 0.00 0.03 0.93 0.21 -1.91 0.00 0.00 174.94 174.20 2krk s ASN 34 N 1.53 6.40 0.53 4.50 2.47 -1.26 -4.87 114.94 124.25 2krk s ASN 34 Ca 0.62 -1.69 0.33 0.00 0.42 0.00 0.00 52.86 52.54 2krk s ASN 34 Cb -0.31 -2.35 1.34 0.00 -1.45 0.00 0.00 41.25 38.47 2krk s ASN 34 CO 0.27 -1.12 1.97 -0.07 -3.72 0.00 0.00 177.10 174.43 2krk h LEU 35 N 10.22 0.00 -0.15 3.21 3.38 -2.00 -3.10 115.31 126.87 2krk h LEU 35 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2krk h LEU 35 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2krk h LEU 35 CO 1.09 0.00 0.07 -0.09 0.09 0.00 0.00 178.44 179.59 2krk h ARG 36 N 0.00 0.22 -0.99 1.13 2.43 -1.98 0.04 114.38 115.24 2krk h ARG 36 Ca 0.00 -0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.26 2krk h ARG 36 Cb 0.51 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.94 2krk h ARG 36 CO 0.00 0.29 0.62 -0.22 -1.51 0.00 0.00 179.97 179.15 2krk h LYS 37 N 0.10 0.91 -0.27 0.20 3.11 -1.97 0.14 116.57 118.80 2krk h LYS 37 Ca 0.05 -0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 2krk h LYS 37 Cb 0.14 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 2krk h LYS 37 CO -0.01 0.60 -0.06 0.82 -2.81 0.00 0.00 179.45 178.00 2krk h ILE 38 N 0.94 1.28 -0.53 2.00 1.08 -1.57 -3.03 117.51 117.68 2krk h ILE 38 Ca 0.50 -1.06 -0.02 0.00 -0.39 0.00 0.00 64.86 63.88 2krk h ILE 38 Cb 0.55 1.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 2krk h ILE 38 CO -0.26 0.34 0.23 0.00 -0.69 0.00 0.00 178.15 177.76 2krk h ALA 39 N 0.78 1.41 0.00 1.87 0.00 0.47 -1.62 119.26 122.18 2krk h ALA 39 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2krk h ALA 39 Cb 0.52 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2krk h ALA 39 CO 0.03 0.45 0.00 0.93 0.00 0.00 0.00 179.25 180.66 2krk h GLU 40 N 0.75 0.00 0.00 0.00 5.08 -0.75 -2.26 114.58 117.39 2krk h GLU 40 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2krk h GLU 40 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2krk h GLU 40 CO -0.02 0.00 -0.04 1.28 -1.00 0.00 0.00 179.01 179.23 2krk n LEU 41 N -2.78 0.04 -4.28 1.33 4.77 -0.61 -4.60 117.00 110.87 2krk n LEU 41 Ca 0.01 0.46 -0.45 0.00 -0.03 0.00 0.00 56.01 56.01 2krk n LEU 41 Cb 0.30 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 2krk n LEU 41 CO 0.25 0.01 0.31 -0.04 -1.33 0.00 0.00 177.39 176.59 2krk s MET 42 N -3.00 3.30 0.00 3.23 -1.94 -0.85 -5.00 119.30 115.04 2krk s MET 42 Ca 0.14 -2.36 0.00 0.00 -1.71 0.00 0.00 55.69 51.75 2krk s MET 42 Cb 0.19 -4.27 0.00 0.00 2.01 0.00 0.00 34.83 32.76 2krk s MET 42 CO 0.54 -1.27 0.25 -0.35 -0.01 0.00 0.00 175.02 174.18 2krk n PRO 43 N 4.06 0.00 -1.52 2.03 -0.04 -1.26 -4.20 135.00 134.07 2krk n PRO 43 Ca 0.09 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.27 2krk n PRO 43 Cb 0.44 -0.70 -0.06 0.00 -0.04 0.00 0.00 33.50 33.14 2krk n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2krk n GLY 44 N 0.66 4.33 3.92 0.55 0.00 -1.26 -4.96 105.19 108.44 2krk n GLY 44 Ca 0.00 -1.81 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 2krk n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2krk s ALA 45 N -1.02 3.68 0.00 4.61 0.00 -1.26 -5.00 121.76 122.77 2krk s ALA 45 Ca 0.60 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2krk s ALA 45 Cb 0.32 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 21.25 2krk s ALA 45 CO -0.16 0.18 0.00 0.43 0.00 0.00 0.00 175.76 176.22 2krk n SER 46 N -1.17 0.00 -0.09 0.00 7.64 -1.26 -4.27 113.62 114.46 2krk n SER 46 Ca -0.03 -0.34 -0.06 0.00 1.01 0.00 0.00 58.87 59.45 2krk n SER 46 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2krk n SER 46 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2krk h GLY 47 N 0.00 0.25 0.98 0.23 0.00 -1.95 -0.91 103.07 101.67 2krk h GLY 47 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2krk h GLY 47 CO 0.00 -0.12 0.27 0.00 0.00 0.00 0.00 176.54 176.69 2krk h ALA 48 N 1.33 0.72 -0.04 3.60 0.00 -1.97 -0.68 119.26 122.22 2krk h ALA 48 Ca 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2krk h ALA 48 Cb 0.24 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2krk h ALA 48 CO -0.34 0.28 0.01 0.93 0.00 0.00 0.00 179.25 180.13 2krk h GLU 49 N 0.75 0.06 -0.65 0.00 3.07 -1.86 -1.68 114.58 114.28 2krk h GLU 49 Ca 0.19 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.96 2krk h GLU 49 Cb 0.12 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 2krk h GLU 49 CO -0.02 0.24 0.08 0.28 -1.40 0.00 0.00 179.01 178.18 2krk h VAL 50 N -0.12 1.26 -0.81 3.13 2.07 -1.13 -1.79 116.25 118.86 2krk h VAL 50 Ca 0.01 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.53 2krk h VAL 50 Cb 0.20 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 2krk h VAL 50 CO -0.00 0.39 0.50 0.50 0.02 0.00 0.00 177.57 178.98 2krk h LYS 51 N 1.00 0.92 -0.25 1.57 3.11 -1.04 0.28 116.57 122.16 2krk h LYS 51 Ca 0.19 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 57.98 2krk h LYS 51 Cb 0.46 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 2krk h LYS 51 CO 0.02 0.61 0.15 0.78 -2.81 0.00 0.00 179.45 178.20 2krk h GLY 52 N 0.95 0.36 0.98 5.01 0.00 -0.86 -1.14 103.07 108.37 2krk h GLY 52 Ca 0.34 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.53 2krk h GLY 52 CO -0.14 0.15 0.42 -2.08 0.00 0.00 0.00 176.54 174.88 2krk h VAL 53 N 0.31 1.14 -0.69 4.60 2.07 -0.89 0.64 116.25 123.44 2krk h VAL 53 Ca 0.09 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2krk h VAL 53 Cb 0.02 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 2krk h VAL 53 CO -0.02 0.15 0.34 0.00 0.02 0.00 0.00 177.57 178.07 2krk h THR 55 N 0.98 1.14 -0.05 0.00 2.02 -0.73 -3.28 112.91 112.99 2krk h THR 55 Ca 0.24 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.20 2krk h THR 55 Cb 0.08 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2krk h THR 55 CO -0.03 0.27 -0.15 -0.33 0.37 0.00 0.00 175.52 175.65 2krk h GLU 56 N -0.70 0.07 -0.46 6.66 4.39 -0.81 -2.47 114.58 121.26 2krk h GLU 56 Ca -0.01 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.75 2krk h GLU 56 Cb 0.55 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.12 2krk h GLU 56 CO 0.02 0.23 0.08 0.00 -1.16 0.00 0.00 179.01 178.18 2krk h ALA 57 N 1.78 0.49 -0.13 3.43 0.00 -0.93 0.52 119.26 124.43 2krk h ALA 57 Ca 0.01 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2krk h ALA 57 Cb 0.32 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2krk h ALA 57 CO 0.02 -0.33 -0.41 0.78 0.00 0.00 0.00 179.25 179.32 2krk h GLY 58 N 0.20 0.32 1.93 0.00 0.00 -1.55 -2.75 103.07 101.22 2krk h GLY 58 Ca 0.23 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 2krk h GLY 58 CO -0.31 0.28 -0.48 -0.33 0.00 0.00 0.00 176.54 175.69 2krk h MET 59 N 0.25 0.08 -0.10 4.80 2.07 -0.72 -1.34 114.93 119.96 2krk h MET 59 Ca 0.02 -0.04 -0.03 0.00 -2.07 0.00 0.00 59.70 57.58 2krk h MET 59 Cb 0.83 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.56 2krk h MET 59 CO 0.07 0.54 -0.06 1.88 1.07 0.00 0.00 176.91 180.41 2krk h TYR 60 N 0.06 0.26 0.29 -0.22 0.05 0.11 -1.36 116.97 116.16 2krk h TYR 60 Ca 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.72 2krk h TYR 60 Cb 0.88 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.53 2krk h TYR 60 CO 0.01 0.59 -0.41 0.00 -1.05 0.00 0.00 178.16 177.29 2krk h ALA 61 N 0.63 -0.83 -0.97 3.88 0.00 -1.37 -1.50 119.26 119.10 2krk h ALA 61 Ca 0.02 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2krk h ALA 61 Cb 0.52 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 2krk h ALA 61 CO 0.02 -1.01 0.64 -0.07 0.00 0.00 0.00 179.25 178.82 2krk h LEU 62 N -0.76 1.06 -1.17 0.00 3.38 -1.31 0.48 115.31 116.99 2krk h LEU 62 Ca -0.01 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2krk h LEU 62 Cb 0.71 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2krk h LEU 62 CO -0.13 0.72 -0.41 0.08 0.09 0.00 0.00 178.44 178.79 2krk h ARG 63 N 1.23 0.02 -0.36 1.13 0.11 -1.09 -1.42 114.38 113.99 2krk h ARG 63 Ca 0.39 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.46 2krk h ARG 63 Cb 0.00 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2krk h ARG 63 CO -0.12 0.42 0.00 0.39 0.10 0.00 0.00 179.97 180.76 2krk n GLU 64 N -4.05 1.99 -1.39 0.08 1.02 -0.58 -4.92 120.64 112.79 2krk n GLU 64 Ca -0.02 -1.52 -0.13 0.00 -0.02 0.00 0.00 57.16 55.47 2krk n GLU 64 Cb 0.44 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.43 2krk n GLU 64 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2krk n ARG 65 N 0.73 -1.05 -2.34 3.49 5.12 -0.26 -4.98 116.66 117.38 2krk n ARG 65 Ca 0.16 0.96 -0.42 0.00 -1.93 0.00 0.00 57.85 56.62 2krk n ARG 65 Cb 0.38 -5.07 -0.03 0.00 -1.16 0.00 0.00 32.46 26.58 2krk n ARG 65 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2krk s ARG 66 N -3.08 4.43 0.05 5.56 0.52 0.15 -4.94 118.95 121.64 2krk s ARG 66 Ca 0.00 1.89 0.00 0.00 -0.52 0.00 0.00 55.73 57.11 2krk s ARG 66 Cb 0.00 -3.27 -0.26 0.00 0.52 0.00 0.00 34.95 31.94 2krk s ARG 66 CO 0.00 -0.22 1.03 0.28 0.02 0.00 0.00 175.30 176.40 2krk h VAL 67 N 4.09 1.36 -3.38 3.52 2.07 -1.94 -3.36 116.25 118.61 2krk h VAL 67 Ca -0.43 -3.02 -0.65 0.00 0.82 0.00 0.00 66.70 63.42 2krk h VAL 67 Cb 1.21 2.81 -0.26 0.00 -1.52 0.00 0.00 31.29 33.54 2krk h VAL 67 CO 0.79 0.85 -0.71 -1.00 0.02 0.00 0.00 177.57 177.52 2krk s HIS 68 N -2.65 2.96 -0.15 1.57 3.76 -1.26 -4.63 115.29 114.89 2krk s HIS 68 Ca -0.05 -0.68 -0.29 0.00 -0.15 0.00 0.00 55.06 53.89 2krk s HIS 68 Cb 0.08 -2.04 -0.03 0.00 1.11 0.00 0.00 32.58 31.70 2krk s HIS 68 CO 0.85 -0.35 1.41 0.08 -0.85 0.00 0.00 174.74 175.89 2krk s VAL 69 N 1.03 4.01 0.61 -0.90 1.01 0.22 -4.81 120.40 121.56 2krk s VAL 69 Ca 0.01 1.21 0.03 0.00 0.00 0.00 0.00 61.98 63.22 2krk s VAL 69 Cb -0.15 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.48 2krk s VAL 69 CO 0.00 -0.16 0.84 0.42 0.00 0.00 0.00 175.10 176.20 2krk s THR 70 N 3.91 2.41 0.48 3.92 -4.23 -1.26 -0.86 115.64 120.00 2krk s THR 70 Ca 0.62 -0.73 0.21 0.00 -1.18 0.00 0.00 61.69 60.61 2krk s THR 70 Cb -0.25 -2.68 0.26 0.00 1.34 0.00 0.00 72.50 71.17 2krk s THR 70 CO 0.21 0.00 2.09 -0.61 -0.54 0.00 0.00 174.62 175.77 2krk h GLN 71 N -0.08 0.00 -0.20 3.99 4.15 -1.95 -2.72 115.11 118.30 2krk h GLN 71 Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.05 2krk h GLN 71 Cb 1.28 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.96 2krk h GLN 71 CO 0.45 0.10 0.13 0.93 -1.93 0.00 0.00 178.83 178.51 2krk h GLU 72 N 0.00 0.27 -1.00 1.69 5.08 -2.00 -2.79 114.58 115.84 2krk h GLU 72 Ca -0.00 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2krk h GLU 72 Cb 0.21 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 2krk h GLU 72 CO 0.01 0.20 0.65 -0.44 -1.00 0.00 0.00 179.01 178.43 2krk h ASP 73 N 0.26 1.06 0.41 1.42 3.32 -1.81 0.66 116.42 121.75 2krk h ASP 73 Ca 0.07 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2krk h ASP 73 Cb -0.01 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.32 2krk h ASP 73 CO -0.01 0.70 -0.20 -0.26 -1.72 0.00 0.00 179.24 177.74 2krk h PHE 74 N 1.21 -0.52 -0.04 4.55 -1.00 -1.54 -0.22 116.94 119.38 2krk h PHE 74 Ca 0.42 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 61.11 2krk h PHE 74 Cb 0.10 0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 2krk h PHE 74 CO -0.00 -0.27 -0.31 1.05 -1.61 0.00 0.00 178.31 177.17 2krk h GLU 75 N -0.65 0.08 -0.43 1.51 4.11 -1.24 0.77 114.58 118.74 2krk h GLU 75 Ca -0.06 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.30 2krk h GLU 75 Cb 0.48 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2krk h GLU 75 CO 0.09 0.39 0.06 0.52 0.07 0.00 0.00 179.01 180.14 2krk h MET 76 N 0.07 0.66 -0.32 1.06 2.86 -0.77 -1.05 114.93 117.45 2krk h MET 76 Ca 0.01 -0.14 -0.13 0.00 -2.06 0.00 0.00 59.70 57.38 2krk h MET 76 Cb 0.59 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2krk h MET 76 CO 0.04 0.64 -0.34 0.00 1.06 0.00 0.00 176.91 178.31 2krk h ALA 77 N 1.43 0.80 -0.10 6.32 0.00 0.26 -1.86 119.26 126.10 2krk h ALA 77 Ca 0.14 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2krk h ALA 77 Cb 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2krk h ALA 77 CO 0.00 0.65 -0.04 0.28 0.00 0.00 0.00 179.25 180.14 2krk h VAL 78 N 0.59 0.87 -0.73 0.00 2.07 -0.41 0.12 116.25 118.77 2krk h VAL 78 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2krk h VAL 78 Cb 0.86 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 2krk h VAL 78 CO 0.08 0.00 0.48 0.00 0.02 0.00 0.00 177.57 178.14 2krk h ALA 79 N 1.09 1.57 -0.00 1.67 0.00 -1.16 0.25 119.26 122.67 2krk h ALA 79 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2krk h ALA 79 Cb 0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2krk h ALA 79 CO -0.12 0.36 0.00 -0.22 0.00 0.00 0.00 179.25 179.28 2krk h LYS 80 N 0.89 0.01 0.00 0.00 1.63 -0.72 -1.07 116.57 117.31 2krk h LYS 80 Ca 0.29 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.08 2krk h LYS 80 Cb 0.03 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2krk h LYS 80 CO -0.08 0.32 -0.00 0.28 -3.45 0.00 0.00 179.45 176.52 2krk h VAL 81 N -0.30 1.75 0.00 2.00 2.07 -0.58 -3.30 116.25 117.88 2krk h VAL 81 Ca 0.00 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2krk h VAL 81 Cb 0.31 3.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 2krk h VAL 81 CO 0.00 0.58 0.00 0.24 0.02 0.00 0.00 177.57 178.41 2krk h MET 82 N -0.96 0.00 -2.38 1.57 2.86 -0.66 -3.47 114.93 111.88 2krk h MET 82 Ca -0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.32 2krk h MET 82 Cb 0.95 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 2krk h MET 82 CO 0.00 0.00 -0.42 1.04 1.06 0.00 0.00 176.91 178.59 2krk n GLN 83 N -3.03 -1.47 -3.54 1.72 6.02 -0.41 -4.98 117.38 111.70 2krk n GLN 83 Ca 0.01 0.77 -0.14 0.00 -0.01 0.00 0.00 57.00 57.64 2krk n GLN 83 Cb 0.35 -5.17 -0.05 0.00 1.02 0.00 0.00 30.24 26.39 2krk n GLN 83 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2krk s LYS 84 N -4.85 1.09 -0.32 -1.09 -2.85 -1.23 -5.05 119.74 105.44 2krk s LYS 84 Ca 0.02 -0.27 0.04 0.00 -1.00 0.00 0.00 55.97 54.76 2krk s LYS 84 Cb -0.01 0.50 0.09 0.00 -2.06 0.00 0.00 37.83 36.35 2krk s LYS 84 CO 0.02 -0.41 0.01 0.34 0.10 0.00 0.00 175.35 175.42 2krk s ASP 85 N -2.11 4.69 0.00 0.03 2.15 -1.26 -4.60 116.67 115.57 2krk s ASP 85 Ca -0.04 -1.99 0.00 0.00 0.43 0.00 0.00 52.55 50.95 2krk s ASP 85 Cb -0.00 -1.61 0.00 0.00 -0.30 0.00 0.00 42.92 41.01 2krk s ASP 85 CO -0.04 -0.34 0.00 -1.54 -0.17 0.00 0.00 175.17 173.09