#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 -0.38 -0.05 3.17 0.00 -1.26 -5.16 107.32 103.64 2krk s GLY 2 Ca 0.00 1.04 -0.02 0.00 0.00 0.00 0.00 44.72 45.74 2krk s GLY 2 CO 0.00 0.27 0.09 0.30 0.00 0.00 0.00 173.10 173.76 2krk s HIS 3 N -2.35 -0.05 -0.21 1.90 4.02 -1.26 -5.13 115.29 112.21 2krk s HIS 3 Ca 0.13 0.34 -0.03 0.00 1.02 0.00 0.00 55.06 56.52 2krk s HIS 3 Cb 0.03 -0.27 0.07 0.00 -1.02 0.00 0.00 32.58 31.39 2krk s HIS 3 CO -0.04 -0.17 0.06 -3.38 1.02 0.00 0.00 174.74 172.23 2krk s HIS 4 N 1.62 0.88 -0.13 1.40 -3.43 -1.26 -5.13 115.29 109.25 2krk s HIS 4 Ca -0.03 -0.84 -0.01 0.00 -0.80 0.00 0.00 55.06 53.38 2krk s HIS 4 Cb -0.12 -1.02 -0.02 0.00 -1.43 0.00 0.00 32.58 29.99 2krk s HIS 4 CO -0.04 -0.63 -0.10 -1.01 -2.00 0.00 0.00 174.74 170.96 2krk s HIS 5 N 1.91 2.88 -0.47 0.38 4.02 -1.26 -4.98 115.29 117.77 2krk s HIS 5 Ca 0.01 -0.44 0.23 0.00 1.02 0.00 0.00 55.06 55.88 2krk s HIS 5 Cb -0.17 -1.86 0.38 0.00 -1.02 0.00 0.00 32.58 29.91 2krk s HIS 5 CO -0.12 -0.08 1.59 1.25 1.02 0.00 0.00 174.74 178.40 2krk h HIS 6 N 6.49 0.00 -5.52 1.40 -0.00 -2.07 -3.46 115.15 111.99 2krk h HIS 6 Ca -0.31 0.00 -0.46 0.00 -0.00 0.00 0.00 60.37 59.61 2krk h HIS 6 Cb 1.20 0.00 0.08 0.00 -0.00 0.00 0.00 27.41 28.69 2krk h HIS 6 CO 0.52 0.00 0.12 0.72 -0.00 0.00 0.00 177.93 179.28 2krk n HIS 7 N -2.96 -2.95 -3.17 5.26 -0.00 -1.26 -5.07 115.22 105.07 2krk n HIS 7 Ca 0.04 -1.74 -0.40 0.00 -0.00 0.00 0.00 57.72 55.62 2krk n HIS 7 Cb 0.52 -0.72 -0.07 0.00 -0.00 0.00 0.00 29.99 29.72 2krk n HIS 7 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2krk s HIS 8 N -3.06 3.28 0.47 4.41 0.00 -1.26 -5.07 115.29 114.06 2krk s HIS 8 Ca 0.66 0.74 -0.10 0.00 -3.00 0.00 0.00 55.06 53.36 2krk s HIS 8 Cb -0.04 -2.78 -0.06 0.00 -4.00 0.00 0.00 32.58 25.71 2krk s HIS 8 CO 0.44 -0.29 0.83 -1.12 -1.00 0.00 0.00 174.74 173.60 2krk s SER 9 N 1.47 6.43 -0.02 7.38 0.01 -1.26 -5.11 113.70 122.60 2krk s SER 9 Ca 0.24 1.17 -0.06 0.00 1.31 0.00 0.00 55.95 58.61 2krk s SER 9 Cb -0.16 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2krk s SER 9 CO 0.09 -0.53 0.13 -1.38 0.41 0.00 0.00 173.24 171.96 2krk s HIS 10 N -2.61 -0.02 0.25 2.43 0.00 -1.26 -5.14 115.29 108.94 2krk s HIS 10 Ca 0.52 0.05 -0.31 0.00 -3.00 0.00 0.00 55.06 52.32 2krk s HIS 10 Cb -0.10 -0.02 -0.11 0.00 -4.00 0.00 0.00 32.58 28.35 2krk s HIS 10 CO 0.38 -0.20 1.61 -1.25 -1.00 0.00 0.00 174.74 174.28 2krk s PRO 11 N -0.82 4.15 0.92 -0.38 0.04 -1.26 -5.00 135.00 132.65 2krk s PRO 11 Ca -0.09 2.54 -0.12 0.00 0.04 0.00 0.00 61.00 63.37 2krk s PRO 11 Cb -0.05 -3.06 0.14 0.00 0.04 0.00 0.00 34.50 31.57 2krk s PRO 11 CO 0.01 -0.65 1.09 1.21 0.04 0.00 0.00 177.00 178.70 2krk s ASN 12 N 0.75 3.27 0.13 6.66 2.47 -1.26 -4.72 114.94 122.23 2krk s ASN 12 Ca 0.67 1.50 -0.32 0.00 0.42 0.00 0.00 52.86 55.13 2krk s ASN 12 Cb -0.47 -2.17 -0.09 0.00 -1.45 0.00 0.00 41.25 37.07 2krk s ASN 12 CO 0.41 -2.77 1.56 -0.08 -3.72 0.00 0.00 177.10 172.51 2krk h GLU 13 N -1.64 -0.50 0.00 0.43 4.81 -1.96 -0.63 114.58 115.09 2krk h GLU 13 Ca -0.50 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 2krk h GLU 13 Cb 1.29 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.78 2krk h GLU 13 CO 0.54 -0.34 -0.11 0.93 -0.73 0.00 0.00 179.01 179.31 2krk h GLU 14 N -0.52 0.00 0.04 1.92 4.39 -1.98 -1.03 114.58 117.41 2krk h GLU 14 Ca 0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2krk h GLU 14 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2krk h GLU 14 CO -0.45 0.11 -0.02 0.00 -1.16 0.00 0.00 179.01 177.49 2krk h ALA 15 N 1.89 -0.06 -0.11 3.43 0.00 -1.51 0.73 119.26 123.65 2krk h ALA 15 Ca -0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2krk h ALA 15 Cb 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2krk h ALA 15 CO 0.01 -0.38 -0.44 0.07 0.00 0.00 0.00 179.25 178.52 2krk h ARG 16 N -0.36 0.26 -0.89 0.00 0.11 -1.11 -2.86 114.38 109.53 2krk h ARG 16 Ca -0.01 -0.13 0.02 0.00 0.10 0.00 0.00 59.98 59.96 2krk h ARG 16 Cb 0.33 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.37 2krk h ARG 16 CO 0.01 0.66 0.59 1.25 0.10 0.00 0.00 179.97 182.57 2krk h LEU 17 N 0.22 1.00 -0.75 0.08 5.85 -1.04 -0.36 115.31 120.31 2krk h LEU 17 Ca 0.02 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2krk h LEU 17 Cb 0.87 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 2krk h LEU 17 CO 0.07 0.71 0.46 -0.78 -0.34 0.00 0.00 178.44 178.56 2krk h ASP 18 N 1.17 0.74 -0.09 1.25 3.58 -0.62 0.16 116.42 122.62 2krk h ASP 18 Ca 0.34 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.80 2krk h ASP 18 Cb -0.08 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 40.82 2krk h ASP 18 CO -0.09 0.49 0.06 0.40 -2.88 0.00 0.00 179.24 177.22 2krk h ILE 19 N 0.88 1.03 -0.96 2.25 2.04 -1.29 -1.55 117.51 119.91 2krk h ILE 19 Ca 0.32 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 66.22 2krk h ILE 19 Cb 0.09 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 2krk h ILE 19 CO -0.14 0.03 0.61 -0.07 0.00 0.00 0.00 178.15 178.58 2krk h LEU 20 N 0.11 0.88 -0.44 1.44 3.38 -0.39 -0.91 115.31 119.39 2krk h LEU 20 Ca 0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2krk h LEU 20 Cb -0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2krk h LEU 20 CO -0.01 0.49 0.25 0.11 0.09 0.00 0.00 178.44 179.38 2krk h LYS 21 N 0.96 0.60 -0.39 1.13 1.57 -0.32 0.82 116.57 120.94 2krk h LYS 21 Ca 0.46 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 59.24 2krk h LYS 21 Cb 0.45 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 2krk h LYS 21 CO -0.22 0.47 0.09 0.82 -0.57 0.00 0.00 179.45 180.04 2krk h ILE 22 N 0.57 0.82 -0.21 1.86 2.04 -0.18 -1.82 117.51 120.59 2krk h ILE 22 Ca 0.16 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 2krk h ILE 22 Cb 0.03 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2krk h ILE 22 CO -0.03 0.04 -0.05 0.45 0.00 0.00 0.00 178.15 178.56 2krk h HIS 23 N 0.23 0.45 -0.01 1.37 3.86 -1.18 -3.20 115.15 116.67 2krk h HIS 23 Ca 0.19 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2krk h HIS 23 Cb 0.21 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 2krk h HIS 23 CO -0.19 0.65 0.01 0.66 0.86 0.00 0.00 177.93 179.92 2krk h SER 24 N 0.12 0.00 0.53 2.45 4.64 -0.53 -0.02 113.55 120.74 2krk h SER 24 Ca 0.05 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 2krk h SER 24 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 2krk h SER 24 CO 0.02 0.00 -0.50 0.03 -0.87 0.00 0.00 176.83 175.51 2krk h ARG 25 N 0.00 0.00 0.00 4.77 3.08 -1.33 -3.21 114.38 117.70 2krk h ARG 25 Ca 0.01 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 2krk h ARG 25 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2krk h ARG 25 CO -0.00 0.50 -1.70 1.63 -1.07 0.00 0.00 179.97 179.33 2krk n LYS 26 N -3.91 0.64 -3.44 0.04 5.02 -0.33 -4.93 118.16 111.26 2krk n LYS 26 Ca -0.01 -0.01 -0.38 0.00 -2.02 0.00 0.00 58.31 55.89 2krk n LYS 26 Cb 0.52 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 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 -3.20 4.01 -0.03 1.97 -1.94 -0.17 -5.06 119.30 114.88 2krk s MET 27 Ca -0.05 0.48 -0.30 0.00 -1.71 0.00 0.00 55.69 54.10 2krk s MET 27 Cb 0.11 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.66 2krk s MET 27 CO 0.85 0.64 1.32 1.21 -0.01 0.00 0.00 175.02 179.02 2krk s ASN 28 N -0.94 6.93 0.40 3.03 3.84 -1.26 -4.82 114.94 122.12 2krk s ASN 28 Ca 0.25 1.97 0.04 0.00 0.21 0.00 0.00 52.86 55.33 2krk s ASN 28 Cb -0.17 -2.56 -0.04 0.00 -0.55 0.00 0.00 41.25 37.93 2krk s ASN 28 CO 0.14 -0.67 0.07 -0.76 -2.79 0.00 0.00 177.10 173.09 2krk s LEU 29 N 2.42 2.20 1.04 3.21 1.43 -1.26 -0.32 118.68 127.40 2krk s LEU 29 Ca 0.60 -1.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.00 2krk s LEU 29 Cb -0.28 -0.40 0.22 0.00 0.03 0.00 0.00 46.19 45.76 2krk s LEU 29 CO 0.24 -0.76 1.21 0.28 0.23 0.00 0.00 176.35 177.55 2krk s THR 30 N -3.13 1.85 -0.17 5.49 -1.32 0.37 -4.61 115.64 114.13 2krk s THR 30 Ca 0.26 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.91 2krk s THR 30 Cb 0.05 -2.77 -0.03 0.00 -1.51 0.00 0.00 72.50 68.24 2krk s THR 30 CO 0.13 0.00 1.07 0.03 -2.21 0.00 0.00 174.62 173.64 2krk h ARG 31 N -1.95 0.00 -3.13 7.08 2.47 -2.00 -3.41 114.38 113.43 2krk h ARG 31 Ca -0.46 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 57.64 2krk h ARG 31 Cb 1.27 0.00 -0.41 0.00 -1.65 0.00 0.00 29.97 29.18 2krk h ARG 31 CO 0.41 0.27 -0.66 0.20 0.56 0.00 0.00 179.97 180.76 2krk s GLY 32 N -4.59 2.37 0.17 0.04 0.00 -1.26 -5.10 107.32 98.95 2krk s GLY 32 Ca -0.00 -3.27 0.08 0.00 0.00 0.00 0.00 44.72 41.53 2krk s GLY 32 CO 0.78 1.22 -0.16 -1.50 0.00 0.00 0.00 173.10 173.44 2krk s ILE 33 N -0.53 1.70 -0.33 0.90 2.07 -1.26 -4.69 121.20 119.05 2krk s ILE 33 Ca 0.21 -1.97 -0.00 0.00 -1.41 0.00 0.00 60.65 57.48 2krk s ILE 33 Cb -0.16 -1.85 0.13 0.00 0.13 0.00 0.00 42.46 40.71 2krk s ILE 33 CO -0.07 -0.42 0.24 0.21 -1.91 0.00 0.00 174.94 172.99 2krk s ASN 34 N -2.83 2.51 0.41 4.50 3.84 -1.26 -5.01 114.94 117.11 2krk s ASN 34 Ca 0.16 -1.67 0.12 0.00 0.21 0.00 0.00 52.86 51.68 2krk s ASN 34 Cb -0.04 -0.05 0.88 0.00 -0.55 0.00 0.00 41.25 41.50 2krk s ASN 34 CO 0.06 -0.34 1.95 -0.07 -2.79 0.00 0.00 177.10 175.91 2krk h LEU 35 N 7.49 0.11 -0.70 3.21 3.38 -1.99 -2.76 115.31 124.05 2krk h LEU 35 Ca -0.02 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2krk h LEU 35 Cb 1.01 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 2krk h LEU 35 CO 0.29 0.29 0.29 -0.09 0.09 0.00 0.00 178.44 179.31 2krk h ARG 36 N 0.11 1.05 -0.89 1.13 1.12 -1.95 -0.22 114.38 114.73 2krk h ARG 36 Ca 0.02 -0.19 -0.01 0.00 -1.11 0.00 0.00 59.98 58.70 2krk h ARG 36 Cb 0.36 -0.17 -0.04 0.00 -0.01 0.00 0.00 29.97 30.10 2krk h ARG 36 CO 0.02 0.86 0.51 -0.22 -3.11 0.00 0.00 179.97 178.04 2krk h LYS 37 N 1.00 1.22 -0.68 0.20 3.11 -1.93 -2.05 116.57 117.43 2krk h LYS 37 Ca 0.23 -0.13 -0.02 0.00 -2.81 0.00 0.00 60.65 57.93 2krk h LYS 37 Cb 0.20 -0.25 -0.03 0.00 -1.00 0.00 0.00 32.23 31.15 2krk h LYS 37 CO -0.02 0.87 0.36 0.82 -2.81 0.00 0.00 179.45 178.68 2krk h ILE 38 N 1.23 1.22 -0.95 2.00 1.08 -1.29 -2.61 117.51 118.19 2krk h ILE 38 Ca 0.32 -0.56 0.06 0.00 -0.39 0.00 0.00 64.86 64.28 2krk h ILE 38 Cb -0.01 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 34.01 2krk h ILE 38 CO -0.06 0.24 0.62 0.00 -0.69 0.00 0.00 178.15 178.26 2krk h ALA 39 N 1.18 1.45 0.00 1.87 0.00 -0.49 -1.32 119.26 121.95 2krk h ALA 39 Ca 0.24 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2krk h ALA 39 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2krk h ALA 39 CO -0.04 0.41 -0.17 0.93 0.00 0.00 0.00 179.25 180.39 2krk h GLU 40 N 1.11 0.00 0.00 0.00 5.08 -1.01 -1.89 114.58 117.87 2krk h GLU 40 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 2krk h GLU 40 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2krk h GLU 40 CO -0.15 0.17 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 2krk n LEU 41 N -4.19 0.00 -4.24 1.33 4.77 -0.50 -4.51 117.00 109.65 2krk n LEU 41 Ca -0.02 0.18 -0.43 0.00 -0.03 0.00 0.00 56.01 55.71 2krk n LEU 41 Cb 0.24 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 2krk n LEU 41 CO 0.35 -0.02 0.19 -0.04 -1.33 0.00 0.00 177.39 176.54 2krk s MET 42 N -2.36 3.00 0.00 3.23 -1.94 -0.71 -4.96 119.30 115.56 2krk s MET 42 Ca 0.31 -2.22 -0.02 0.00 -1.71 0.00 0.00 55.69 52.05 2krk s MET 42 Cb 0.18 -4.12 -0.11 0.00 2.01 0.00 0.00 34.83 32.79 2krk s MET 42 CO 0.38 -1.24 2.19 -0.35 -0.01 0.00 0.00 175.02 175.98 2krk n PRO 43 N 4.23 1.13 0.00 2.03 -0.04 -1.26 -4.74 135.00 136.36 2krk n PRO 43 Ca 0.04 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 2krk n PRO 43 Cb 0.42 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 2.17 0.12 2.03 0.55 0.00 -1.26 -5.15 105.19 103.64 2krk n GLY 44 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2krk n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2krk n ALA 45 N -0.54 -2.00 -1.90 4.61 0.00 -1.26 -4.98 120.51 114.44 2krk n ALA 45 Ca 0.00 0.50 -0.29 0.00 0.00 0.00 0.00 53.44 53.65 2krk n ALA 45 Cb 0.00 -1.50 0.09 0.00 0.00 0.00 0.00 19.45 18.04 2krk n ALA 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2krk s SER 46 N -1.41 4.46 0.55 0.00 1.04 -1.26 -4.79 113.70 112.29 2krk s SER 46 Ca 0.00 0.76 0.26 0.00 0.48 0.00 0.00 55.95 57.44 2krk s SER 46 Cb 0.00 -1.24 1.47 0.00 0.10 0.00 0.00 66.02 66.35 2krk s SER 46 CO 0.00 -1.93 2.02 1.23 0.98 0.00 0.00 173.24 175.54 2krk h GLY 47 N -1.07 0.00 1.17 7.32 0.00 -1.98 -0.25 103.07 108.26 2krk h GLY 47 Ca -0.46 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.64 2krk h GLY 47 CO 0.65 0.00 -0.82 0.00 0.00 0.00 0.00 176.54 176.37 2krk h ALA 48 N 1.73 0.27 0.00 3.60 0.00 -2.01 -3.22 119.26 119.63 2krk h ALA 48 Ca 0.18 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 2krk h ALA 48 Cb 0.81 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2krk h ALA 48 CO -0.00 0.67 -0.43 0.93 0.00 0.00 0.00 179.25 180.42 2krk h GLU 49 N 0.50 0.00 -0.87 0.00 5.08 -1.46 -2.30 114.58 115.52 2krk h GLU 49 Ca -0.07 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2krk h GLU 49 Cb 1.46 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.66 2krk h GLU 49 CO 0.17 0.43 0.57 0.28 -1.00 0.00 0.00 179.01 179.46 2krk h VAL 50 N 0.00 1.12 -0.89 3.13 2.07 -1.14 -0.65 116.25 119.89 2krk h VAL 50 Ca -0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2krk h VAL 50 Cb 0.81 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2krk h VAL 50 CO 0.06 0.19 0.57 0.50 0.02 0.00 0.00 177.57 178.91 2krk h LYS 51 N 1.06 1.19 -0.40 1.57 3.11 -1.43 -2.52 116.57 119.15 2krk h LYS 51 Ca 0.36 -0.08 0.04 0.00 -2.81 0.00 0.00 60.65 58.15 2krk h LYS 51 Cb 0.08 -0.26 -0.04 0.00 -1.00 0.00 0.00 32.23 31.01 2krk h LYS 51 CO -0.11 0.80 0.18 0.78 -2.81 0.00 0.00 179.45 178.29 2krk h GLY 52 N 1.22 0.54 0.69 5.01 0.00 -0.99 -0.08 103.07 109.45 2krk h GLY 52 Ca 0.32 -0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.59 2krk h GLY 52 CO -0.07 0.08 0.34 -2.08 0.00 0.00 0.00 176.54 174.82 2krk h VAL 53 N 0.37 0.97 -0.37 4.60 2.07 -1.15 -0.94 116.25 121.80 2krk h VAL 53 Ca 0.17 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 2krk h VAL 53 Cb 0.10 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2krk h VAL 53 CO -0.14 0.12 0.07 0.00 0.02 0.00 0.00 177.57 177.64 2krk h THR 55 N 0.53 1.00 -0.54 0.00 2.02 -0.10 -3.23 112.91 112.59 2krk h THR 55 Ca 0.12 -0.84 -0.10 0.00 0.77 0.00 0.00 66.41 66.36 2krk h THR 55 Cb 0.23 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 2krk h THR 55 CO -0.00 0.19 -0.06 -0.33 0.37 0.00 0.00 175.52 175.69 2krk h GLU 56 N -0.62 0.98 -1.00 6.66 4.39 -1.14 -2.90 114.58 120.95 2krk h GLU 56 Ca -0.02 -0.33 0.19 0.00 0.34 0.00 0.00 59.36 59.54 2krk h GLU 56 Cb 0.47 -0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 28.94 2krk h GLU 56 CO 0.03 1.00 0.61 0.00 -1.16 0.00 0.00 179.01 179.50 2krk h ALA 57 N 1.03 1.72 -0.36 3.43 0.00 -1.29 0.74 119.26 124.53 2krk h ALA 57 Ca 0.15 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 2krk h ALA 57 Cb 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2krk h ALA 57 CO 0.04 -0.09 -0.25 0.78 0.00 0.00 0.00 179.25 179.73 2krk h GLY 58 N 0.74 0.79 1.01 0.00 0.00 -1.52 -3.01 103.07 101.08 2krk h GLY 58 Ca 0.57 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2krk h GLY 58 CO -0.36 0.63 0.46 -0.33 0.00 0.00 0.00 176.54 176.94 2krk h MET 59 N 0.64 0.98 -0.19 4.80 2.07 -0.80 0.08 114.93 122.51 2krk h MET 59 Ca 0.08 -0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 2krk h MET 59 Cb 0.75 -0.21 -0.01 0.00 -1.87 0.00 0.00 31.60 30.26 2krk h MET 59 CO 0.06 0.67 0.12 1.88 1.07 0.00 0.00 176.91 180.71 2krk h TYR 60 N 0.99 0.24 -0.07 -0.22 0.05 -1.37 -2.41 116.97 114.18 2krk h TYR 60 Ca 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.05 2krk h TYR 60 Cb -0.07 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 37.59 2krk h TYR 60 CO -0.02 0.16 0.03 0.00 -1.05 0.00 0.00 178.16 177.28 2krk h ALA 61 N 1.06 0.08 -0.33 3.88 0.00 -1.35 -2.98 119.26 119.62 2krk h ALA 61 Ca 0.07 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2krk h ALA 61 Cb -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2krk h ALA 61 CO -0.01 -0.34 0.09 -0.07 0.00 0.00 0.00 179.25 178.92 2krk h LEU 62 N -0.05 0.07 -1.82 0.00 3.38 -0.94 0.57 115.31 116.53 2krk h LEU 62 Ca 0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2krk h LEU 62 Cb 0.16 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2krk h LEU 62 CO -0.00 0.08 -0.12 0.08 0.09 0.00 0.00 178.44 178.57 2krk h ARG 63 N 0.22 0.00 -0.65 1.13 0.11 -1.47 -0.58 114.38 113.14 2krk h ARG 63 Ca 0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 2krk h ARG 63 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 2krk h ARG 63 CO -0.18 0.12 0.00 0.39 0.10 0.00 0.00 179.97 180.40 2krk n GLU 64 N -4.26 2.94 -0.95 0.08 1.02 -0.62 -4.89 120.64 113.95 2krk n GLU 64 Ca -0.03 -1.82 0.00 0.00 -0.02 0.00 0.00 57.16 55.29 2krk n GLU 64 Cb 0.19 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 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 0.53 -1.37 -3.09 3.49 3.00 -0.23 -4.95 116.66 114.04 2krk n ARG 65 Ca 0.16 0.34 -0.41 0.00 -0.01 0.00 0.00 57.85 57.93 2krk n ARG 65 Cb 0.68 -4.49 -0.06 0.00 0.00 0.00 0.00 32.46 28.59 2krk n ARG 65 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2krk s ARG 66 N -1.46 3.92 0.18 5.56 0.52 0.09 -4.95 118.95 122.82 2krk s ARG 66 Ca 0.00 0.36 -0.06 0.00 -0.52 0.00 0.00 55.73 55.50 2krk s ARG 66 Cb 0.00 -3.72 0.07 0.00 0.52 0.00 0.00 34.95 31.82 2krk s ARG 66 CO 0.00 -0.58 1.51 0.28 0.02 0.00 0.00 175.30 176.54 2krk h VAL 67 N 5.54 1.29 -3.43 3.52 2.07 -1.92 -3.32 116.25 120.01 2krk h VAL 67 Ca -0.26 -1.63 -0.59 0.00 0.82 0.00 0.00 66.70 65.03 2krk h VAL 67 Cb 1.11 1.55 -0.10 0.00 -1.52 0.00 0.00 31.29 32.34 2krk h VAL 67 CO 0.81 0.53 -0.00 -1.38 0.02 0.00 0.00 177.57 177.54 2krk s HIS 68 N -4.23 3.40 0.30 1.57 0.00 -1.26 -4.63 115.29 110.43 2krk s HIS 68 Ca -0.09 0.85 -0.28 0.00 -3.00 0.00 0.00 55.06 52.55 2krk s HIS 68 Cb 0.11 -2.70 -0.09 0.00 -4.00 0.00 0.00 32.58 25.90 2krk s HIS 68 CO 0.85 -0.08 0.98 0.08 -1.00 0.00 0.00 174.74 175.57 2krk s VAL 69 N 1.54 4.00 0.46 -5.38 1.01 0.56 -4.67 120.40 117.92 2krk s VAL 69 Ca 0.26 1.80 0.06 0.00 0.00 0.00 0.00 61.98 64.11 2krk s VAL 69 Cb -0.16 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 2krk s VAL 69 CO 0.10 0.27 0.24 0.42 0.00 0.00 0.00 175.10 176.14 2krk s THR 70 N -1.42 2.03 0.36 3.92 -4.23 -1.26 -0.48 115.64 114.57 2krk s THR 70 Ca 0.47 -1.64 0.06 0.00 -1.18 0.00 0.00 61.69 59.40 2krk s THR 70 Cb -0.23 -2.67 0.29 0.00 1.34 0.00 0.00 72.50 71.23 2krk s THR 70 CO 0.29 0.00 1.97 -0.61 -0.54 0.00 0.00 174.62 175.73 2krk h GLN 71 N 1.19 0.73 -0.64 3.99 5.75 -1.98 -2.61 115.11 121.53 2krk h GLN 71 Ca -0.41 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 57.98 2krk h GLN 71 Cb 1.27 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.63 2krk h GLN 71 CO 0.66 0.48 0.16 0.93 -2.65 0.00 0.00 178.83 178.41 2krk h GLU 72 N 0.75 1.03 -0.49 1.69 5.08 -1.97 -2.79 114.58 117.88 2krk h GLU 72 Ca 0.30 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2krk h GLU 72 Cb 0.23 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2krk h GLU 72 CO -0.10 0.93 0.21 -0.44 -1.00 0.00 0.00 179.01 178.61 2krk h ASP 73 N 0.95 0.67 0.22 1.42 3.32 -1.81 -1.67 116.42 119.53 2krk h ASP 73 Ca 0.20 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2krk h ASP 73 Cb 0.35 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2krk h ASP 73 CO 0.00 0.65 -0.11 -0.26 -1.72 0.00 0.00 179.24 177.80 2krk h PHE 74 N 0.66 -0.28 -0.42 4.55 0.04 -1.41 0.12 116.94 120.20 2krk h PHE 74 Ca 0.17 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.87 2krk h PHE 74 Cb 0.18 0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 2krk h PHE 74 CO 0.00 -0.14 0.01 1.05 -0.60 0.00 0.00 178.31 178.63 2krk h GLU 75 N -0.35 0.67 -0.26 1.51 4.11 -1.49 -0.16 114.58 118.62 2krk h GLU 75 Ca -0.03 -0.16 -0.07 0.00 0.07 0.00 0.00 59.36 59.17 2krk h GLU 75 Cb 0.27 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2krk h GLU 75 CO 0.05 0.68 -0.15 0.52 0.07 0.00 0.00 179.01 180.19 2krk h MET 76 N 0.64 0.44 -0.23 1.06 2.86 -1.18 -2.40 114.93 116.12 2krk h MET 76 Ca 0.13 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2krk h MET 76 Cb 0.39 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2krk h MET 76 CO 0.01 0.59 0.03 0.00 1.06 0.00 0.00 176.91 178.60 2krk h ALA 77 N 1.44 0.30 -0.35 6.32 0.00 0.32 -2.62 119.26 124.67 2krk h ALA 77 Ca 0.07 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2krk h ALA 77 Cb 0.50 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2krk h ALA 77 CO 0.03 -0.02 -0.02 0.28 0.00 0.00 0.00 179.25 179.52 2krk h VAL 78 N 0.17 0.72 -0.10 0.00 2.07 -0.92 0.13 116.25 118.34 2krk h VAL 78 Ca 0.07 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.59 2krk h VAL 78 Cb 0.33 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2krk h VAL 78 CO 0.01 0.01 0.07 0.00 0.02 0.00 0.00 177.57 177.68 2krk h ALA 79 N 1.31 2.03 0.10 1.67 0.00 -1.41 -0.65 119.26 122.31 2krk h ALA 79 Ca 0.17 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 2krk h ALA 79 Cb 0.24 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2krk h ALA 79 CO -0.30 -0.13 -0.89 -0.22 0.00 0.00 0.00 179.25 177.72 2krk h LYS 80 N 0.00 0.22 0.13 0.00 3.64 -0.81 0.09 116.57 119.84 2krk h LYS 80 Ca 0.05 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 2krk h LYS 80 Cb 0.20 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2krk h LYS 80 CO -0.00 1.18 -0.06 0.28 -2.27 0.00 0.00 179.45 178.58 2krk h VAL 81 N -0.49 0.99 0.00 2.00 2.07 -0.55 -2.88 116.25 117.39 2krk h VAL 81 Ca -0.18 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2krk h VAL 81 Cb 1.56 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2krk h VAL 81 CO 0.08 0.11 0.00 0.23 0.02 0.00 0.00 177.57 178.01 2krk n MET 82 N -5.06 0.02 -3.23 1.57 2.81 -0.27 -4.96 117.12 107.99 2krk n MET 82 Ca -0.09 0.05 -0.06 0.00 -1.81 0.00 0.00 57.70 55.80 2krk n MET 82 Cb 0.18 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 2krk n MET 82 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2krk n GLN 83 N -1.56 -1.38 -2.37 0.03 6.02 -0.83 -4.85 117.38 112.44 2krk n GLN 83 Ca 0.06 1.32 -0.37 0.00 -0.01 0.00 0.00 57.00 58.01 2krk n GLN 83 Cb 0.32 -4.98 -0.03 0.00 1.02 0.00 0.00 30.24 26.58 2krk n GLN 83 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2krk s LYS 84 N -3.47 3.37 -0.03 -1.09 -0.14 -0.04 -4.62 119.74 113.71 2krk s LYS 84 Ca 0.01 -1.57 0.13 0.00 -1.36 0.00 0.00 55.97 53.18 2krk s LYS 84 Cb -0.00 -5.40 -0.22 0.00 -1.68 0.00 0.00 37.83 30.53 2krk s LYS 84 CO 0.78 -2.92 0.67 -0.40 -0.76 0.00 0.00 175.35 172.73 2krk n ASP 85 N 10.81 0.85 0.00 2.83 5.75 -1.26 -5.04 116.55 130.48 2krk n ASP 85 Ca 0.46 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 55.64 2krk n ASP 85 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 2krk n ASP 85 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85