#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krk s GLY 2 N 0.00 1.56 -0.29 -5.12 0.00 -1.26 -5.12 107.32 97.10 2krk s GLY 2 Ca 0.00 -1.03 -0.25 0.00 0.00 0.00 0.00 44.72 43.44 2krk s GLY 2 CO 0.00 -0.86 1.18 -2.38 0.00 0.00 0.00 173.10 171.03 2krk s HIS 3 N -2.57 -0.33 0.05 1.90 0.00 -1.26 -5.14 115.29 107.95 2krk s HIS 3 Ca 0.48 0.80 -0.31 0.00 -3.00 0.00 0.00 55.06 53.04 2krk s HIS 3 Cb -0.10 0.40 -0.06 0.00 -4.00 0.00 0.00 32.58 28.82 2krk s HIS 3 CO 0.38 -0.16 1.31 -1.01 -1.00 0.00 0.00 174.74 174.27 2krk s HIS 4 N 0.16 3.20 0.35 0.38 4.02 -1.26 -4.93 115.29 117.21 2krk s HIS 4 Ca 0.05 1.06 0.03 0.00 1.02 0.00 0.00 55.06 57.21 2krk s HIS 4 Cb -0.05 -3.57 0.66 0.00 -1.02 0.00 0.00 32.58 28.60 2krk s HIS 4 CO -0.10 -1.94 1.99 1.25 1.02 0.00 0.00 174.74 176.97 2krk h HIS 5 N 7.14 0.80 -1.20 1.40 -0.00 -2.04 -3.13 115.15 118.12 2krk h HIS 5 Ca -0.40 0.02 -0.69 0.00 -0.00 0.00 0.00 60.37 59.30 2krk h HIS 5 Cb 1.20 -0.27 -0.11 0.00 -0.00 0.00 0.00 27.41 28.23 2krk h HIS 5 CO 0.69 0.48 1.96 -1.58 -0.00 0.00 0.00 177.93 179.48 2krk s HIS 6 N -5.72 2.95 -2.63 5.26 5.04 -1.26 -4.78 115.29 114.14 2krk s HIS 6 Ca -0.10 -1.72 0.24 0.00 -1.54 0.00 0.00 55.06 51.93 2krk s HIS 6 Cb 0.18 -4.64 0.43 0.00 0.04 0.00 0.00 32.58 28.58 2krk s HIS 6 CO 0.77 -1.71 1.40 1.58 -2.34 0.00 0.00 174.74 174.43 2krk n HIS 7 N 7.73 0.27 -4.01 3.88 -0.00 -1.18 -4.90 115.22 117.01 2krk n HIS 7 Ca 0.45 -0.13 -0.13 0.00 0.46 0.00 0.00 57.72 58.37 2krk n HIS 7 Cb 0.45 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.19 2krk n HIS 7 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2krk s HIS 8 N -1.73 0.29 -0.10 1.57 0.00 -1.26 -5.03 115.29 109.03 2krk s HIS 8 Ca 0.34 -0.19 -0.07 0.00 -3.00 0.00 0.00 55.06 52.15 2krk s HIS 8 Cb 0.21 -0.19 0.03 0.00 -4.00 0.00 0.00 32.58 28.63 2krk s HIS 8 CO 0.31 -0.05 0.14 0.45 -1.00 0.00 0.00 174.74 174.59 2krk n SER 9 N 2.56 -1.88 -4.84 7.38 2.88 -1.26 -5.03 113.62 113.42 2krk n SER 9 Ca -0.16 0.92 -0.33 0.00 -1.33 0.00 0.00 58.87 57.98 2krk n SER 9 Cb 0.58 -3.74 -0.06 0.00 -0.75 0.00 0.00 64.21 60.23 2krk n SER 9 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2krk s HIS 10 N -0.42 3.38 0.32 0.66 0.00 -1.26 -5.04 115.29 112.94 2krk s HIS 10 Ca -0.16 1.28 -0.29 0.00 -3.00 0.00 0.00 55.06 52.88 2krk s HIS 10 Cb 0.01 -2.58 -0.11 0.00 -4.00 0.00 0.00 32.58 25.90 2krk s HIS 10 CO 0.43 0.08 1.57 -1.25 -1.00 0.00 0.00 174.74 174.57 2krk s PRO 11 N -2.95 4.10 1.16 -0.38 0.04 -1.26 -5.00 135.00 130.71 2krk s PRO 11 Ca 0.54 2.60 -0.14 0.00 0.04 0.00 0.00 61.00 64.05 2krk s PRO 11 Cb -0.10 -3.00 0.27 0.00 0.04 0.00 0.00 34.50 31.71 2krk s PRO 11 CO 0.17 -0.62 1.04 -0.80 0.04 0.00 0.00 177.00 176.83 2krk s ASN 12 N 0.30 1.15 0.10 6.66 -0.87 -1.26 -4.62 114.94 116.40 2krk s ASN 12 Ca 0.60 1.29 -0.34 0.00 -1.57 0.00 0.00 52.86 52.84 2krk s ASN 12 Cb -0.48 -1.99 -0.14 0.00 -0.02 0.00 0.00 41.25 38.61 2krk s ASN 12 CO 0.53 -4.06 1.57 -0.08 -2.57 0.00 0.00 177.10 172.49 2krk h GLU 13 N -2.53 -0.80 0.00 -0.60 4.81 -1.99 -0.72 114.58 112.74 2krk h GLU 13 Ca -0.58 0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.62 2krk h GLU 13 Cb 1.34 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.89 2krk h GLU 13 CO 0.50 -0.54 -0.41 0.93 -0.73 0.00 0.00 179.01 178.77 2krk h GLU 14 N -0.83 0.00 0.03 1.92 5.08 -1.97 0.12 114.58 118.92 2krk h GLU 14 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2krk h GLU 14 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2krk h GLU 14 CO -0.18 0.41 -0.02 0.00 -1.00 0.00 0.00 179.01 178.23 2krk h ALA 15 N 1.59 -0.04 -0.07 3.43 0.00 -1.82 -0.72 119.26 121.63 2krk h ALA 15 Ca -0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2krk h ALA 15 Cb 0.83 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2krk h ALA 15 CO 0.05 -0.42 -0.65 0.07 0.00 0.00 0.00 179.25 178.30 2krk h ARG 16 N -0.25 0.27 -0.37 0.00 0.11 -1.06 -2.98 114.38 110.10 2krk h ARG 16 Ca -0.00 -0.20 -0.01 0.00 0.10 0.00 0.00 59.98 59.87 2krk h ARG 16 Cb 0.23 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.33 2krk h ARG 16 CO 0.01 0.83 0.18 1.25 0.10 0.00 0.00 179.97 182.33 2krk h LEU 17 N 0.19 0.44 -1.34 0.08 5.85 -0.72 -1.95 115.31 117.87 2krk h LEU 17 Ca -0.01 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2krk h LEU 17 Cb 1.18 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 2krk h LEU 17 CO 0.10 0.38 0.49 -0.78 -0.34 0.00 0.00 178.44 178.29 2krk h ASP 18 N 0.51 0.70 -0.15 1.25 3.58 -0.96 -0.48 116.42 120.87 2krk h ASP 18 Ca 0.13 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.61 2krk h ASP 18 Cb 0.05 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 2krk h ASP 18 CO -0.02 0.45 -0.04 0.40 -2.88 0.00 0.00 179.24 177.15 2krk h ILE 19 N 0.80 0.83 -0.62 2.25 2.04 -1.42 -0.53 117.51 120.87 2krk h ILE 19 Ca 0.32 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.16 2krk h ILE 19 Cb 0.25 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2krk h ILE 19 CO -0.11 0.00 0.31 -0.07 0.00 0.00 0.00 178.15 178.28 2krk h LEU 20 N -0.01 0.78 0.03 1.44 3.38 -1.32 -1.88 115.31 117.74 2krk h LEU 20 Ca 0.07 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2krk h LEU 20 Cb 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2krk h LEU 20 CO -0.16 0.66 -0.07 0.11 0.09 0.00 0.00 178.44 179.07 2krk h LYS 21 N 0.87 -0.13 -0.66 1.13 1.57 -0.56 0.53 116.57 119.32 2krk h LYS 21 Ca 0.22 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.05 2krk h LYS 21 Cb 0.07 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 2krk h LYS 21 CO -0.03 -0.09 0.39 0.82 -0.57 0.00 0.00 179.45 179.97 2krk h ILE 22 N -0.13 1.02 -0.03 1.86 2.04 -0.67 -1.65 117.51 119.95 2krk h ILE 22 Ca 0.02 -0.25 -0.23 0.00 1.00 0.00 0.00 64.86 65.39 2krk h ILE 22 Cb 0.15 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2krk h ILE 22 CO -0.04 0.13 -0.92 0.45 0.00 0.00 0.00 178.15 177.77 2krk h HIS 23 N 0.74 0.74 -0.20 1.37 3.86 -1.26 -3.27 115.15 117.13 2krk h HIS 23 Ca 0.29 -0.39 -0.11 0.00 -1.16 0.00 0.00 60.37 59.00 2krk h HIS 23 Cb 0.12 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 2krk h HIS 23 CO -0.06 1.20 -0.34 0.66 0.86 0.00 0.00 177.93 180.25 2krk h SER 24 N 0.30 0.44 0.32 2.45 4.64 -0.68 -1.96 113.55 119.06 2krk h SER 24 Ca -0.08 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2krk h SER 24 Cb 1.55 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2krk h SER 24 CO 0.17 0.75 0.00 0.03 -0.87 0.00 0.00 176.83 176.91 2krk h ARG 25 N 0.36 0.00 -0.00 4.77 3.08 -1.35 -1.84 114.38 119.39 2krk h ARG 25 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2krk h ARG 25 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2krk h ARG 25 CO 0.06 0.00 -0.15 1.63 -1.07 0.00 0.00 179.97 180.44 2krk n LYS 26 N -2.38 0.55 -4.25 0.04 4.76 -0.74 -4.92 118.16 111.22 2krk n LYS 26 Ca -0.00 -0.20 -0.14 0.00 -2.87 0.00 0.00 58.31 55.10 2krk n LYS 26 Cb 0.12 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.71 2krk n LYS 26 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2krk s MET 27 N -2.59 1.20 0.23 1.97 -1.94 -0.69 -5.14 119.30 112.33 2krk s MET 27 Ca 0.25 -1.61 -0.29 0.00 -1.71 0.00 0.00 55.69 52.33 2krk s MET 27 Cb 0.20 -0.12 -0.09 0.00 2.01 0.00 0.00 34.83 36.83 2krk s MET 27 CO 0.51 -0.24 0.91 1.21 -0.01 0.00 0.00 175.02 177.39 2krk s ASN 28 N -3.20 7.59 0.33 3.03 3.84 -1.26 -4.96 114.94 120.31 2krk s ASN 28 Ca 0.31 1.89 0.08 0.00 0.21 0.00 0.00 52.86 55.35 2krk s ASN 28 Cb 0.07 -2.59 -0.06 0.00 -0.55 0.00 0.00 41.25 38.12 2krk s ASN 28 CO 0.08 0.17 -0.07 -0.76 -2.79 0.00 0.00 177.10 173.73 2krk s LEU 29 N -1.18 2.66 1.01 3.21 1.43 -1.26 0.02 118.68 124.58 2krk s LEU 29 Ca 0.40 -1.22 -0.17 0.00 -1.03 0.00 0.00 54.13 52.11 2krk s LEU 29 Cb -0.25 -0.88 0.23 0.00 0.03 0.00 0.00 46.19 45.32 2krk s LEU 29 CO 0.31 -0.27 1.33 0.28 0.23 0.00 0.00 176.35 178.23 2krk s THR 30 N -2.74 1.96 -0.41 5.49 -1.32 -0.55 -4.71 115.64 113.37 2krk s THR 30 Ca 0.32 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.57 2krk s THR 30 Cb 0.04 -2.96 0.02 0.00 -1.51 0.00 0.00 72.50 68.08 2krk s THR 30 CO 0.15 0.00 0.77 -0.13 -2.21 0.00 0.00 174.62 173.20 2krk s ARG 31 N -5.92 3.57 0.00 7.08 1.81 -1.26 -4.20 118.95 120.04 2krk s ARG 31 Ca 0.76 0.08 0.00 0.00 -1.72 0.00 0.00 55.73 54.85 2krk s ARG 31 Cb -0.03 -3.87 0.00 0.00 -0.45 0.00 0.00 34.95 30.60 2krk s ARG 31 CO 0.54 -0.97 0.00 0.41 -0.68 0.00 0.00 175.30 174.60 2krk n GLY 32 N 4.77 0.51 3.73 -3.53 0.00 -1.26 -5.05 105.19 104.37 2krk n GLY 32 Ca 0.02 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.96 4.98 -0.63 -0.61 2.07 -1.26 -5.02 121.20 117.77 2krk s ILE 33 Ca 0.00 1.37 -0.02 0.00 -1.41 0.00 0.00 60.65 60.59 2krk s ILE 33 Cb 0.00 -4.00 0.16 0.00 0.13 0.00 0.00 42.46 38.75 2krk s ILE 33 CO 0.00 0.32 0.44 0.21 -1.91 0.00 0.00 174.94 174.00 2krk s ASN 34 N 0.39 5.16 0.45 4.50 2.47 -1.26 -4.92 114.94 121.73 2krk s ASN 34 Ca 0.35 -2.91 0.18 0.00 0.42 0.00 0.00 52.86 50.89 2krk s ASN 34 Cb -0.18 -1.84 1.06 0.00 -1.45 0.00 0.00 41.25 38.84 2krk s ASN 34 CO 0.18 -0.35 1.97 -0.07 -3.72 0.00 0.00 177.10 175.11 2krk h LEU 35 N 6.92 0.00 -0.60 3.21 3.38 -1.99 -2.91 115.31 123.33 2krk h LEU 35 Ca -0.01 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2krk h LEU 35 Cb 0.94 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 2krk h LEU 35 CO 0.71 0.22 0.32 -0.09 0.09 0.00 0.00 178.44 179.69 2krk h ARG 36 N 0.00 0.59 -0.73 1.13 2.43 -1.94 -0.77 114.38 115.08 2krk h ARG 36 Ca -0.00 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2krk h ARG 36 Cb 0.43 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 2krk h ARG 36 CO 0.03 0.39 0.48 -0.22 -1.51 0.00 0.00 179.97 179.14 2krk h LYS 37 N 0.60 0.95 -0.30 0.20 3.11 -1.94 -1.61 116.57 117.57 2krk h LYS 37 Ca 0.27 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 58.02 2krk h LYS 37 Cb 0.16 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.17 2krk h LYS 37 CO -0.17 0.63 0.08 0.82 -2.81 0.00 0.00 179.45 178.00 2krk h ILE 38 N 0.97 1.21 -0.40 2.00 1.08 -1.27 -3.01 117.51 118.10 2krk h ILE 38 Ca 0.27 -0.69 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 2krk h ILE 38 Cb -0.09 1.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.73 2krk h ILE 38 CO -0.06 0.23 0.14 0.00 -0.69 0.00 0.00 178.15 177.77 2krk h ALA 39 N 0.92 1.51 -0.11 1.87 0.00 -0.69 -2.26 119.26 120.49 2krk h ALA 39 Ca 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2krk h ALA 39 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2krk h ALA 39 CO -0.00 0.38 -0.08 0.93 0.00 0.00 0.00 179.25 180.48 2krk h GLU 40 N 0.57 0.16 -0.09 0.00 5.08 -1.18 -1.90 114.58 117.21 2krk h GLU 40 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2krk h GLU 40 Cb 0.14 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2krk h GLU 40 CO -0.01 0.25 0.00 1.28 -1.00 0.00 0.00 179.01 179.52 2krk n LEU 41 N -4.36 0.62 -4.05 1.33 4.77 -0.85 -4.53 117.00 109.93 2krk n LEU 41 Ca -0.01 -0.29 -0.34 0.00 -0.03 0.00 0.00 56.01 55.34 2krk n LEU 41 Cb 0.20 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 2krk n LEU 41 CO 0.36 0.14 0.13 -0.04 -1.33 0.00 0.00 177.39 176.66 2krk s MET 42 N -1.88 2.79 0.00 3.23 -1.94 -0.71 -5.00 119.30 115.79 2krk s MET 42 Ca 0.17 -3.02 0.00 0.00 -1.71 0.00 0.00 55.69 51.13 2krk s MET 42 Cb 0.09 -3.73 0.00 0.00 2.01 0.00 0.00 34.83 33.20 2krk s MET 42 CO 0.13 -1.23 0.44 -2.30 -0.01 0.00 0.00 175.02 172.05 2krk n PRO 43 N 2.66 0.00 -2.13 2.03 -0.02 -1.26 -4.15 135.00 132.13 2krk n PRO 43 Ca 0.16 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.23 2krk n PRO 43 Cb 0.36 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 2krk n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2krk n GLY 44 N -0.20 5.37 2.98 -1.23 0.00 -1.26 -4.92 105.19 105.93 2krk n GLY 44 Ca 0.00 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.68 1.78 0.41 4.61 0.00 -1.26 -5.09 121.76 120.53 2krk s ALA 45 Ca 0.51 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2krk s ALA 45 Cb 0.18 -1.09 0.03 0.00 0.00 0.00 0.00 23.12 22.24 2krk s ALA 45 CO -0.10 -0.53 0.25 0.43 0.00 0.00 0.00 175.76 175.82 2krk n SER 46 N 4.79 0.38 -0.07 0.00 7.64 -1.26 -4.84 113.62 120.26 2krk n SER 46 Ca -0.15 -1.31 0.08 0.00 1.01 0.00 0.00 58.87 58.49 2krk n SER 46 Cb 0.49 -0.15 0.44 0.00 -1.01 0.00 0.00 64.21 63.98 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 -0.12 0.65 0.83 0.23 0.00 -1.98 -1.33 103.07 101.36 2krk h GLY 47 Ca -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 2krk h GLY 47 CO 0.09 0.17 0.04 0.00 0.00 0.00 0.00 176.54 176.84 2krk h ALA 48 N 1.70 0.21 0.00 3.60 0.00 -1.99 0.67 119.26 123.45 2krk h ALA 48 Ca 0.24 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 2krk h ALA 48 Cb 0.26 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2krk h ALA 48 CO -0.07 -0.15 -0.95 1.05 0.00 0.00 0.00 179.25 179.14 2krk h GLU 49 N 0.06 0.00 -0.63 0.00 9.09 -1.91 -1.80 114.58 119.40 2krk h GLU 49 Ca 0.05 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.41 2krk h GLU 49 Cb 0.27 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.34 2krk h GLU 49 CO 0.00 0.95 0.21 0.28 0.05 0.00 0.00 179.01 180.50 2krk h VAL 50 N 0.00 1.24 -0.45 -1.06 2.07 -1.20 -0.56 116.25 116.30 2krk h VAL 50 Ca -0.01 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2krk h VAL 50 Cb 1.72 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2krk h VAL 50 CO 0.12 0.31 0.18 0.50 0.02 0.00 0.00 177.57 178.71 2krk h LYS 51 N 0.90 0.63 0.16 1.57 3.64 -0.82 -1.49 116.57 121.16 2krk h LYS 51 Ca 0.20 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2krk h LYS 51 Cb 0.27 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2krk h LYS 51 CO -0.01 0.52 -0.18 0.78 -2.27 0.00 0.00 179.45 178.30 2krk h GLY 52 N 0.78 -0.36 0.45 5.01 0.00 -0.54 -0.69 103.07 107.72 2krk h GLY 52 Ca 0.16 0.20 0.10 0.00 0.00 0.00 0.00 47.33 47.79 2krk h GLY 52 CO -0.02 -0.17 0.41 -2.08 0.00 0.00 0.00 176.54 174.69 2krk h VAL 53 N -0.37 0.85 -0.95 4.60 2.07 -0.85 0.19 116.25 121.79 2krk h VAL 53 Ca 0.01 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.36 2krk h VAL 53 Cb 0.36 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 2krk h VAL 53 CO -0.06 0.12 0.61 0.00 0.02 0.00 0.00 177.57 178.26 2krk h THR 55 N 1.11 1.46 -0.98 0.00 2.02 0.11 -3.08 112.91 113.54 2krk h THR 55 Ca 0.41 -1.89 0.06 0.00 0.77 0.00 0.00 66.41 65.76 2krk h THR 55 Cb 0.16 2.54 -0.06 0.00 -1.74 0.00 0.00 68.15 69.04 2krk h THR 55 CO -0.17 0.54 0.64 -0.33 0.37 0.00 0.00 175.52 176.56 2krk h GLU 56 N -0.25 1.13 -0.54 6.66 4.39 -0.52 -0.21 114.58 125.23 2krk h GLU 56 Ca -0.04 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.67 2krk h GLU 56 Cb 1.07 -0.25 -0.06 0.00 -0.10 0.00 0.00 28.75 29.40 2krk h GLU 56 CO 0.07 0.74 0.19 0.00 -1.16 0.00 0.00 179.01 178.86 2krk h ALA 57 N 1.46 0.67 -0.87 3.43 0.00 -1.18 -0.51 119.26 122.27 2krk h ALA 57 Ca 0.42 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 2krk h ALA 57 Cb 0.14 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2krk h ALA 57 CO -0.16 -0.21 0.47 0.78 0.00 0.00 0.00 179.25 180.13 2krk h GLY 58 N 0.37 1.29 0.72 0.00 0.00 -1.09 -1.31 103.07 103.05 2krk h GLY 58 Ca 0.27 -0.59 0.06 0.00 0.00 0.00 0.00 47.33 47.07 2krk h GLY 58 CO -0.28 0.56 0.46 -0.33 0.00 0.00 0.00 176.54 176.96 2krk h MET 59 N 1.21 0.82 -0.33 4.80 2.07 0.00 0.30 114.93 123.81 2krk h MET 59 Ca 0.30 -0.05 -0.12 0.00 -2.07 0.00 0.00 59.70 57.76 2krk h MET 59 Cb 0.03 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 29.57 2krk h MET 59 CO -0.05 0.54 -0.28 1.88 1.07 0.00 0.00 176.91 180.08 2krk h TYR 60 N 0.85 0.92 -0.86 -0.22 0.05 -0.72 -0.98 116.97 116.01 2krk h TYR 60 Ca 0.34 -0.26 0.04 0.00 0.05 0.00 0.00 58.73 58.90 2krk h TYR 60 Cb 0.16 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 37.65 2krk h TYR 60 CO -0.05 1.03 0.54 0.00 -1.05 0.00 0.00 178.16 178.63 2krk h ALA 61 N 0.74 1.14 0.10 3.88 0.00 -0.93 -0.83 119.26 123.37 2krk h ALA 61 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2krk h ALA 61 Cb 0.85 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2krk h ALA 61 CO 0.07 0.35 -0.05 -0.07 0.00 0.00 0.00 179.25 179.56 2krk h LEU 62 N 1.04 -0.12 -0.86 0.00 3.38 -0.71 0.66 115.31 118.70 2krk h LEU 62 Ca 0.35 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2krk h LEU 62 Cb 0.06 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2krk h LEU 62 CO -0.13 0.14 0.47 0.08 0.09 0.00 0.00 178.44 179.09 2krk h ARG 63 N -0.37 1.20 -0.64 1.13 0.11 -1.06 -2.63 114.38 112.12 2krk h ARG 63 Ca -0.01 -0.14 0.00 0.00 0.10 0.00 0.00 59.98 59.93 2krk h ARG 63 Cb 0.31 -0.24 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2krk h ARG 63 CO 0.02 0.88 0.00 0.39 0.10 0.00 0.00 179.97 181.37 2krk n GLU 64 N -4.36 3.62 -1.75 0.08 1.02 -0.33 -4.93 120.64 113.98 2krk n GLU 64 Ca 0.09 -2.52 -0.19 0.00 -0.02 0.00 0.00 57.16 54.52 2krk n GLU 64 Cb 0.10 -1.90 -0.06 0.00 -0.02 0.00 0.00 31.44 29.55 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 0.84 -1.34 -2.59 3.49 5.12 -0.18 -4.94 116.66 117.05 2krk n ARG 65 Ca 0.23 1.09 -0.43 0.00 -1.93 0.00 0.00 57.85 56.80 2krk n ARG 65 Cb 0.86 -5.44 -0.02 0.00 -1.16 0.00 0.00 32.46 26.70 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 -3.92 4.03 0.18 5.56 0.52 0.21 -4.91 118.95 120.62 2krk s ARG 66 Ca 0.00 1.09 -0.08 0.00 -0.52 0.00 0.00 55.73 56.22 2krk s ARG 66 Cb 0.00 -3.77 0.06 0.00 0.52 0.00 0.00 34.95 31.76 2krk s ARG 66 CO 0.00 -0.96 1.56 0.28 0.02 0.00 0.00 175.30 176.20 2krk h VAL 67 N 5.79 1.27 -3.56 3.52 2.07 -1.92 -3.41 116.25 120.02 2krk h VAL 67 Ca -0.22 -1.43 -0.65 0.00 0.82 0.00 0.00 66.70 65.23 2krk h VAL 67 Cb 1.07 1.23 -0.22 0.00 -1.52 0.00 0.00 31.29 31.84 2krk h VAL 67 CO 1.04 0.48 -0.63 -1.38 0.02 0.00 0.00 177.57 177.10 2krk s HIS 68 N -4.56 3.08 0.21 1.57 0.00 -1.26 -4.43 115.29 109.89 2krk s HIS 68 Ca -0.10 -0.43 -0.30 0.00 -3.00 0.00 0.00 55.06 51.23 2krk s HIS 68 Cb 0.12 -2.19 -0.09 0.00 -4.00 0.00 0.00 32.58 26.43 2krk s HIS 68 CO 0.86 -0.31 1.33 0.08 -1.00 0.00 0.00 174.74 175.71 2krk s VAL 69 N 1.38 3.10 0.51 -5.38 1.01 0.10 -4.64 120.40 116.50 2krk s VAL 69 Ca 0.05 0.91 0.07 0.00 0.00 0.00 0.00 61.98 63.01 2krk s VAL 69 Cb -0.15 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.69 2krk s VAL 69 CO 0.03 0.14 0.52 0.42 0.00 0.00 0.00 175.10 176.20 2krk s THR 70 N 0.10 2.12 0.41 3.92 -4.23 -1.26 -1.48 115.64 115.22 2krk s THR 70 Ca 0.57 -1.29 0.08 0.00 -1.18 0.00 0.00 61.69 59.88 2krk s THR 70 Cb -0.37 -2.41 0.28 0.00 1.34 0.00 0.00 72.50 71.34 2krk s THR 70 CO 0.39 0.00 2.03 -0.61 -0.54 0.00 0.00 174.62 175.89 2krk h GLN 71 N 0.65 0.54 -0.50 3.99 5.75 -1.96 -2.95 115.11 120.63 2krk h GLN 71 Ca -0.36 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.04 2krk h GLN 71 Cb 1.29 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.70 2krk h GLN 71 CO 0.52 0.36 0.06 0.93 -2.65 0.00 0.00 178.83 178.05 2krk h GLU 72 N 0.55 0.84 -0.57 1.69 5.08 -1.99 -2.77 114.58 117.41 2krk h GLU 72 Ca 0.20 -0.24 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2krk h GLU 72 Cb 0.12 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 2krk h GLU 72 CO -0.05 0.85 0.27 -0.44 -1.00 0.00 0.00 179.01 178.63 2krk h ASP 73 N 0.72 0.35 0.31 1.42 5.19 -1.86 -0.44 116.42 122.10 2krk h ASP 73 Ca 0.15 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.59 2krk h ASP 73 Cb 0.42 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.92 2krk h ASP 73 CO 0.01 0.23 -0.15 -0.26 -3.12 0.00 0.00 179.24 175.96 2krk h PHE 74 N 0.50 -0.38 -0.14 4.55 0.04 -1.59 -1.93 116.94 117.98 2krk h PHE 74 Ca 0.27 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.96 2krk h PHE 74 Cb 0.23 0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 2krk h PHE 74 CO -0.12 -0.11 -0.24 1.05 -0.60 0.00 0.00 178.31 178.30 2krk h GLU 75 N -0.63 0.26 -0.47 1.51 4.11 -1.37 -0.96 114.58 117.03 2krk h GLU 75 Ca -0.04 -0.08 -0.08 0.00 0.07 0.00 0.00 59.36 59.23 2krk h GLU 75 Cb 0.45 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2krk h GLU 75 CO 0.07 0.49 -0.03 0.52 0.07 0.00 0.00 179.01 180.13 2krk h MET 76 N 0.23 0.80 -0.65 1.06 2.86 -1.09 -1.22 114.93 116.92 2krk h MET 76 Ca 0.04 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 2krk h MET 76 Cb 0.55 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 2krk h MET 76 CO 0.04 0.83 0.29 0.00 1.06 0.00 0.00 176.91 179.12 2krk h ALA 77 N 1.22 0.85 -0.38 6.32 0.00 -0.48 -0.92 119.26 125.86 2krk h ALA 77 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2krk h ALA 77 Cb 0.49 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2krk h ALA 77 CO 0.02 0.43 0.19 0.28 0.00 0.00 0.00 179.25 180.18 2krk h VAL 78 N 0.91 0.98 0.00 0.00 2.07 -0.92 0.78 116.25 120.06 2krk h VAL 78 Ca 0.22 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2krk h VAL 78 Cb 0.16 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2krk h VAL 78 CO -0.02 0.07 -0.04 0.00 0.02 0.00 0.00 177.57 177.59 2krk h ALA 79 N 1.20 1.21 0.07 1.67 0.00 -0.92 0.77 119.26 123.27 2krk h ALA 79 Ca 0.16 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2krk h ALA 79 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2krk h ALA 79 CO -0.11 0.05 -0.89 -0.22 0.00 0.00 0.00 179.25 178.08 2krk h LYS 80 N 0.00 0.15 0.07 0.00 1.63 -0.17 -2.79 116.57 115.46 2krk h LYS 80 Ca -0.00 -0.26 -0.00 0.00 -0.85 0.00 0.00 60.65 59.54 2krk h LYS 80 Cb 0.18 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2krk h LYS 80 CO 0.01 1.12 -0.03 0.28 -3.45 0.00 0.00 179.45 177.38 2krk h VAL 81 N -0.62 0.87 0.00 2.00 2.07 -0.70 -3.35 116.25 116.51 2krk h VAL 81 Ca -0.20 -1.46 -0.07 0.00 0.82 0.00 0.00 66.70 65.79 2krk h VAL 81 Cb 1.46 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 2krk h VAL 81 CO 0.02 0.27 -0.47 0.24 0.02 0.00 0.00 177.57 177.65 2krk h MET 82 N -0.95 0.00 -0.04 1.57 2.86 -1.07 -3.47 114.93 113.82 2krk h MET 82 Ca -0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2krk h MET 82 Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2krk h MET 82 CO 0.02 0.28 -0.02 1.04 1.06 0.00 0.00 176.91 179.29 2krk n GLN 83 N -3.11 -1.87 -2.17 1.72 6.02 -1.05 -4.88 117.38 112.04 2krk n GLN 83 Ca 0.01 0.51 -0.42 0.00 -0.01 0.00 0.00 57.00 57.09 2krk n GLN 83 Cb 0.66 -4.92 -0.00 0.00 1.02 0.00 0.00 30.24 27.00 2krk n GLN 83 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2krk n LYS 84 N 0.65 3.02 0.15 -1.09 5.02 -1.26 -4.55 118.16 120.10 2krk n LYS 84 Ca -0.01 -2.95 0.01 0.00 -2.02 0.00 0.00 58.31 53.34 2krk n LYS 84 Cb 0.48 -3.40 0.21 0.00 -0.02 0.00 0.00 35.03 32.30 2krk n LYS 84 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2krk h ASP 85 N 6.84 0.00 0.00 4.39 3.58 -1.89 -3.47 116.42 125.87 2krk h ASP 85 Ca 0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.96 2krk h ASP 85 Cb 0.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2krk h ASP 85 CO 1.66 0.55 0.00 -1.20 -2.88 0.00 0.00 179.24 177.37