#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 2.14 -1.24 3.17 0.00 -1.26 -4.93 107.32 105.20 2krk s GLY 2 Ca 0.00 0.84 -0.19 0.00 0.00 0.00 0.00 44.72 45.37 2krk s GLY 2 CO 0.00 2.24 1.87 1.42 0.00 0.00 0.00 173.10 178.63 2krk n HIS 3 N 4.58 3.70 1.39 1.90 -0.00 -1.26 -4.66 115.22 120.86 2krk n HIS 3 Ca 0.11 -2.32 0.13 0.00 -0.00 0.00 0.00 57.72 55.64 2krk n HIS 3 Cb 0.45 -2.55 0.47 0.00 -0.00 0.00 0.00 29.99 28.35 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 10.07 0.07 -2.02 4.41 -0.00 -1.26 -4.78 115.22 121.71 2krk n HIS 4 Ca 0.48 -0.03 -0.27 0.00 -0.00 0.00 0.00 57.72 57.90 2krk n HIS 4 Cb 0.45 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.37 2krk n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2krk s HIS 5 N -1.93 1.87 -1.33 4.41 0.09 -1.26 -4.86 115.29 112.28 2krk s HIS 5 Ca 0.36 0.66 -0.17 0.00 -0.00 0.00 0.00 55.06 55.91 2krk s HIS 5 Cb 0.20 -3.93 0.06 0.00 -0.00 0.00 0.00 32.58 28.90 2krk s HIS 5 CO 0.31 -1.18 1.85 -2.39 -0.00 0.00 0.00 174.74 173.33 2krk n HIS 6 N 14.89 4.37 -3.01 1.40 -0.00 -1.26 -4.97 115.22 126.64 2krk n HIS 6 Ca 0.44 -2.84 -0.31 0.00 -0.00 0.00 0.00 57.72 55.01 2krk n HIS 6 Cb 0.47 -2.62 -0.05 0.00 -0.00 0.00 0.00 29.99 27.79 2krk n HIS 6 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2krk s HIS 7 N 4.13 3.42 -0.42 -1.40 0.00 -1.26 -5.06 115.29 114.70 2krk s HIS 7 Ca 0.53 1.14 -0.17 0.00 -3.00 0.00 0.00 55.06 53.56 2krk s HIS 7 Cb 0.06 -2.49 0.02 0.00 -4.00 0.00 0.00 32.58 26.17 2krk s HIS 7 CO 0.04 0.00 0.39 -1.01 -1.00 0.00 0.00 174.74 173.17 2krk s HIS 8 N -2.16 3.19 0.37 0.38 0.09 -1.26 -4.97 115.29 110.94 2krk s HIS 8 Ca 0.53 -0.46 0.09 0.00 -0.00 0.00 0.00 55.06 55.21 2krk s HIS 8 Cb -0.10 -2.81 0.72 0.00 -0.00 0.00 0.00 32.58 30.38 2krk s HIS 8 CO 0.24 -0.67 1.88 1.03 -0.00 0.00 0.00 174.74 177.21 2krk h SER 9 N 8.70 0.23 -5.63 1.40 0.87 -1.96 -3.48 113.55 113.68 2krk h SER 9 Ca -0.27 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.14 2krk h SER 9 Cb 1.11 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2krk h SER 9 CO 0.78 0.43 -0.43 1.57 -0.53 0.00 0.00 176.83 178.65 2krk n HIS 10 N -4.23 -3.01 -2.58 2.24 -0.00 -1.26 -4.97 115.22 101.41 2krk n HIS 10 Ca -0.01 1.19 -0.34 0.00 0.46 0.00 0.00 57.72 59.02 2krk n HIS 10 Cb 0.30 -3.71 -0.04 0.00 -0.12 0.00 0.00 29.99 26.43 2krk n HIS 10 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2krk s PRO 11 N -3.07 3.86 0.93 1.57 0.04 -1.26 -4.98 135.00 132.09 2krk s PRO 11 Ca 0.12 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 2krk s PRO 11 Cb -0.03 -2.11 0.15 0.00 0.04 0.00 0.00 34.50 32.55 2krk s PRO 11 CO 0.79 -0.38 1.09 -0.80 0.04 0.00 0.00 177.00 177.74 2krk s ASN 12 N -2.00 3.16 0.15 6.66 -0.87 -1.26 -4.67 114.94 116.12 2krk s ASN 12 Ca 0.67 1.51 -0.19 0.00 -1.57 0.00 0.00 52.86 53.27 2krk s ASN 12 Cb -0.15 -2.18 0.05 0.00 -0.02 0.00 0.00 41.25 38.95 2krk s ASN 12 CO 0.19 -2.84 1.66 -0.08 -2.57 0.00 0.00 177.10 173.46 2krk h GLU 13 N -1.69 -0.09 -0.28 -0.60 4.81 -1.95 -0.88 114.58 113.89 2krk h GLU 13 Ca -0.50 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.79 2krk h GLU 13 Cb 1.29 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 2krk h GLU 13 CO 0.54 -0.06 -0.08 1.49 -0.73 0.00 0.00 179.01 180.16 2krk h GLU 14 N -0.10 -0.01 0.04 1.92 4.57 -1.97 -0.16 114.58 118.87 2krk h GLU 14 Ca 0.16 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2krk h GLU 14 Cb 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2krk h GLU 14 CO -0.37 -0.01 -0.02 0.00 -1.18 0.00 0.00 179.01 177.43 2krk h ALA 15 N 1.27 -0.06 -0.06 2.92 0.00 -1.74 -1.10 119.26 120.49 2krk h ALA 15 Ca 0.14 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2krk h ALA 15 Cb 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2krk h ALA 15 CO -0.30 -0.49 -0.59 0.07 0.00 0.00 0.00 179.25 177.94 2krk h ARG 16 N -0.14 0.20 -0.22 0.00 0.11 -1.15 -2.77 114.38 110.40 2krk h ARG 16 Ca -0.01 -0.13 -0.05 0.00 0.10 0.00 0.00 59.98 59.89 2krk h ARG 16 Cb 0.12 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 2krk h ARG 16 CO 0.01 0.73 -0.07 1.25 0.10 0.00 0.00 179.97 181.99 2krk h LEU 17 N 0.15 0.32 -0.57 0.08 5.85 -0.86 -2.44 115.31 117.84 2krk h LEU 17 Ca -0.00 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.75 2krk h LEU 17 Cb 1.08 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 2krk h LEU 17 CO 0.09 0.44 0.16 -0.78 -0.34 0.00 0.00 178.44 178.01 2krk h ASP 18 N 0.33 0.11 -0.30 1.25 1.82 -0.90 -0.46 116.42 118.27 2krk h ASP 18 Ca 0.07 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.79 2krk h ASP 18 Cb 0.34 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 2krk h ASP 18 CO 0.02 0.07 0.17 0.40 -1.61 0.00 0.00 179.24 178.29 2krk h ILE 19 N 0.32 1.12 -0.68 2.25 2.04 -1.46 -2.55 117.51 118.55 2krk h ILE 19 Ca 0.29 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.89 2krk h ILE 19 Cb 0.38 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 2krk h ILE 19 CO -0.33 0.12 0.39 -0.07 0.00 0.00 0.00 178.15 178.26 2krk h LEU 20 N 0.37 0.59 -0.15 1.44 3.38 -1.08 -2.26 115.31 117.60 2krk h LEU 20 Ca 0.11 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2krk h LEU 20 Cb 0.05 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2krk h LEU 20 CO -0.02 0.38 -0.07 0.11 0.09 0.00 0.00 178.44 178.94 2krk h LYS 21 N 0.72 -0.05 -0.01 1.13 1.57 -0.87 0.57 116.57 119.63 2krk h LYS 21 Ca 0.30 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.09 2krk h LYS 21 Cb 0.16 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2krk h LYS 21 CO -0.17 -0.03 -0.04 0.82 -0.57 0.00 0.00 179.45 179.45 2krk h ILE 22 N -0.05 0.88 -0.01 1.86 2.04 -1.05 -1.01 117.51 120.16 2krk h ILE 22 Ca 0.08 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.77 2krk h ILE 22 Cb 0.18 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2krk h ILE 22 CO -0.18 0.00 -0.77 0.45 0.00 0.00 0.00 178.15 177.64 2krk h HIS 23 N -0.08 0.18 -0.12 1.37 3.86 -1.37 -3.15 115.15 115.85 2krk h HIS 23 Ca 0.02 -0.09 -0.13 0.00 -1.16 0.00 0.00 60.37 59.01 2krk h HIS 23 Cb 0.10 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 2krk h HIS 23 CO -0.12 0.85 -0.50 0.66 0.86 0.00 0.00 177.93 179.68 2krk h SER 24 N 0.08 0.36 0.00 2.45 4.64 -0.75 -2.28 113.55 118.05 2krk h SER 24 Ca -0.02 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2krk h SER 24 Cb 1.36 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2krk h SER 24 CO 0.11 0.80 0.00 0.54 -0.87 0.00 0.00 176.83 177.41 2krk n ARG 25 N -3.96 0.45 0.00 4.77 1.74 -0.40 -1.25 116.66 118.02 2krk n ARG 25 Ca -0.02 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.13 2krk n ARG 25 Cb 0.55 -1.28 0.06 0.00 -1.02 0.00 0.00 32.46 30.77 2krk n ARG 25 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2krk n LYS 26 N -0.78 0.98 -4.24 5.56 4.76 -0.86 -5.00 118.16 118.58 2krk n LYS 26 Ca 0.06 -1.33 -0.17 0.00 -2.87 0.00 0.00 58.31 54.00 2krk n LYS 26 Cb 0.03 -1.27 -0.13 0.00 -1.84 0.00 0.00 35.03 31.82 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 -1.19 0.73 -0.39 1.97 -1.94 -0.38 -5.11 119.30 112.99 2krk s MET 27 Ca 0.16 -0.66 -0.29 0.00 -1.71 0.00 0.00 55.69 53.20 2krk s MET 27 Cb 0.12 -0.67 0.01 0.00 2.01 0.00 0.00 34.83 36.29 2krk s MET 27 CO 0.18 0.16 1.45 -0.80 -0.01 0.00 0.00 175.02 176.00 2krk s ASN 28 N -1.08 6.31 0.68 3.03 0.01 -1.26 -4.93 114.94 117.70 2krk s ASN 28 Ca -0.02 0.92 0.02 0.00 -0.71 0.00 0.00 52.86 53.07 2krk s ASN 28 Cb -0.07 -2.54 0.12 0.00 0.41 0.00 0.00 41.25 39.17 2krk s ASN 28 CO 0.01 -1.43 0.94 -0.76 -1.51 0.00 0.00 177.10 174.34 2krk s LEU 29 N 5.50 3.01 0.29 0.60 1.43 -1.26 -0.02 118.68 128.22 2krk s LEU 29 Ca 0.63 -0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 52.99 2krk s LEU 29 Cb -0.15 -1.83 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 2krk s LEU 29 CO 0.32 -1.74 0.81 0.28 0.23 0.00 0.00 176.35 176.25 2krk s THR 30 N -3.01 4.48 -1.04 5.49 -1.32 -0.84 -4.60 115.64 114.79 2krk s THR 30 Ca 0.65 1.39 0.16 0.00 -1.21 0.00 0.00 61.69 62.68 2krk s THR 30 Cb -0.05 -3.83 0.15 0.00 -1.51 0.00 0.00 72.50 67.26 2krk s THR 30 CO 0.43 0.07 1.51 0.54 -2.21 0.00 0.00 174.62 174.96 2krk n ARG 31 N 0.35 0.02 -0.54 7.08 1.74 -1.26 -2.16 116.66 121.89 2krk n ARG 31 Ca 0.01 0.22 0.04 0.00 -0.77 0.00 0.00 57.85 57.34 2krk n ARG 31 Cb 0.51 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.68 2krk n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2krk n GLY 32 N 0.15 4.49 3.75 -0.13 0.00 -1.26 -5.05 105.19 107.14 2krk n GLY 32 Ca 0.04 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.01 3.89 -0.29 -0.61 2.07 -0.92 -5.04 121.20 117.30 2krk s ILE 33 Ca 0.42 1.83 -0.00 0.00 -1.41 0.00 0.00 60.65 61.49 2krk s ILE 33 Cb 0.36 -4.17 0.05 0.00 0.13 0.00 0.00 42.46 38.83 2krk s ILE 33 CO 0.04 0.41 -0.03 0.21 -1.91 0.00 0.00 174.94 173.66 2krk s ASN 34 N -0.83 4.77 0.16 4.50 3.84 -1.26 -4.99 114.94 121.13 2krk s ASN 34 Ca 0.44 -1.30 0.05 0.00 0.21 0.00 0.00 52.86 52.26 2krk s ASN 34 Cb -0.28 -1.67 -0.03 0.00 -0.55 0.00 0.00 41.25 38.73 2krk s ASN 34 CO 0.35 -0.24 1.37 -0.07 -2.79 0.00 0.00 177.10 175.72 2krk h LEU 35 N 7.94 0.13 -0.70 3.21 3.38 -2.00 -3.29 115.31 123.98 2krk h LEU 35 Ca -0.21 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 2krk h LEU 35 Cb 1.06 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2krk h LEU 35 CO 0.51 0.96 -0.28 -0.09 0.09 0.00 0.00 178.44 179.63 2krk h ARG 36 N 0.05 0.70 -0.96 1.13 2.43 -1.96 -0.69 114.38 115.08 2krk h ARG 36 Ca -0.03 -0.30 0.10 0.00 -0.81 0.00 0.00 59.98 58.94 2krk h ARG 36 Cb 1.55 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 31.00 2krk h ARG 36 CO 0.13 0.90 0.59 -0.22 -1.51 0.00 0.00 179.97 179.86 2krk h LYS 37 N 0.60 0.95 -0.23 0.20 3.11 -2.00 0.57 116.57 119.77 2krk h LYS 37 Ca 0.08 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.84 2krk h LYS 37 Cb 0.78 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 2krk h LYS 37 CO 0.06 0.63 0.06 0.82 -2.81 0.00 0.00 179.45 178.21 2krk h ILE 38 N 0.98 1.21 -0.49 2.00 1.08 -1.47 -2.58 117.51 118.24 2krk h ILE 38 Ca 0.46 -0.67 0.10 0.00 -0.39 0.00 0.00 64.86 64.36 2krk h ILE 38 Cb 0.39 1.22 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 2krk h ILE 38 CO -0.24 0.21 0.34 0.00 -0.69 0.00 0.00 178.15 177.77 2krk h ALA 39 N 0.87 2.18 -0.17 1.87 0.00 0.07 0.21 119.26 124.30 2krk h ALA 39 Ca 0.07 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2krk h ALA 39 Cb 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2krk h ALA 39 CO 0.00 -0.30 -0.59 0.93 0.00 0.00 0.00 179.25 179.29 2krk h GLU 40 N 0.21 0.55 0.00 0.00 5.08 -0.79 -3.08 114.58 116.55 2krk h GLU 40 Ca 0.23 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2krk h GLU 40 Cb 0.63 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2krk h GLU 40 CO -0.04 0.98 0.00 -0.07 -1.00 0.00 0.00 179.01 178.88 2krk h LEU 41 N 0.42 0.00 -8.69 1.33 3.38 -0.45 -3.42 115.31 107.88 2krk h LEU 41 Ca -0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 2krk h LEU 41 Cb 1.14 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 2krk h LEU 41 CO 0.11 0.00 0.16 -0.04 0.09 0.00 0.00 178.44 178.76 2krk s MET 42 N -3.40 3.49 0.00 1.13 -1.94 0.49 -4.96 119.30 114.11 2krk s MET 42 Ca 0.05 -0.13 0.00 0.00 -1.71 0.00 0.00 55.69 53.90 2krk s MET 42 Cb 0.07 -3.88 0.00 0.00 2.01 0.00 0.00 34.83 33.03 2krk s MET 42 CO 0.61 -0.89 0.00 -0.35 -0.01 0.00 0.00 175.02 174.38 2krk n PRO 43 N 6.21 -0.04 -1.48 2.03 -0.04 -1.26 -4.77 135.00 135.65 2krk n PRO 43 Ca -0.01 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.04 2krk n PRO 43 Cb 0.48 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.90 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 0.00 2.58 3.83 0.55 0.00 -1.26 -4.91 105.19 105.98 2krk n GLY 44 Ca 0.00 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 5.74 3.43 0.77 4.61 0.00 -1.26 -4.36 121.76 130.69 2krk s ALA 45 Ca 0.58 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.49 2krk s ALA 45 Cb 0.11 -2.74 0.05 0.00 0.00 0.00 0.00 23.12 20.54 2krk s ALA 45 CO 0.09 0.36 1.11 -1.54 0.00 0.00 0.00 175.76 175.77 2krk s SER 46 N -1.82 4.84 0.21 0.00 1.04 -1.26 -4.60 113.70 112.10 2krk s SER 46 Ca 0.45 1.16 -0.11 0.00 0.48 0.00 0.00 55.95 57.93 2krk s SER 46 Cb -0.15 -1.89 0.29 0.00 0.10 0.00 0.00 66.02 64.37 2krk s SER 46 CO 0.20 -1.73 1.68 1.23 0.98 0.00 0.00 173.24 175.59 2krk h GLY 47 N -0.93 0.67 0.79 7.32 0.00 -1.99 0.31 103.07 109.24 2krk h GLY 47 Ca -0.46 0.05 0.05 0.00 0.00 0.00 0.00 47.33 46.97 2krk h GLY 47 CO 0.62 -0.17 0.51 0.00 0.00 0.00 0.00 176.54 177.50 2krk h ALA 48 N 1.53 1.10 -0.25 3.60 0.00 -1.98 0.46 119.26 123.72 2krk h ALA 48 Ca 0.31 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 2krk h ALA 48 Cb 0.50 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2krk h ALA 48 CO -0.48 0.28 -0.26 0.93 0.00 0.00 0.00 179.25 179.73 2krk h GLU 49 N 0.96 0.62 -0.94 0.00 5.08 -1.56 0.91 114.58 119.64 2krk h GLU 49 Ca 0.34 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2krk h GLU 49 Cb 0.10 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2krk h GLU 49 CO -0.15 0.93 0.56 0.28 -1.00 0.00 0.00 179.01 179.63 2krk h VAL 50 N 0.33 1.26 -0.80 3.13 2.07 -0.77 -0.55 116.25 120.93 2krk h VAL 50 Ca 0.04 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 2krk h VAL 50 Cb 0.82 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2krk h VAL 50 CO 0.06 0.28 0.40 0.50 0.02 0.00 0.00 177.57 178.83 2krk h LYS 51 N 1.30 1.14 -0.49 1.57 3.64 -0.78 -2.50 116.57 120.46 2krk h LYS 51 Ca 0.34 -0.16 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 2krk h LYS 51 Cb -0.04 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.53 2krk h LYS 51 CO -0.06 0.87 0.24 0.78 -2.27 0.00 0.00 179.45 179.01 2krk h GLY 52 N 1.12 0.68 0.74 5.01 0.00 0.31 0.54 103.07 111.47 2krk h GLY 52 Ca 0.28 -0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.47 2krk h GLY 52 CO -0.04 0.10 0.05 -2.08 0.00 0.00 0.00 176.54 174.57 2krk h VAL 53 N 0.47 0.90 -0.76 4.60 2.07 -0.97 0.18 116.25 122.74 2krk h VAL 53 Ca 0.22 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.70 2krk h VAL 53 Cb 0.13 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2krk h VAL 53 CO -0.16 0.03 0.49 0.00 0.02 0.00 0.00 177.57 177.95 2krk h THR 55 N 0.99 1.25 -0.91 0.00 2.02 -0.51 -2.18 112.91 113.58 2krk h THR 55 Ca 0.29 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2krk h THR 55 Cb -0.07 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 2krk h THR 55 CO -0.08 0.25 0.57 -0.33 0.37 0.00 0.00 175.52 176.31 2krk h GLU 56 N 0.05 1.22 -0.41 6.66 4.39 -0.50 0.78 114.58 126.76 2krk h GLU 56 Ca 0.05 -0.09 0.05 0.00 0.34 0.00 0.00 59.36 59.71 2krk h GLU 56 Cb 0.38 -0.26 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 2krk h GLU 56 CO 0.01 0.83 0.13 0.00 -1.16 0.00 0.00 179.01 178.82 2krk h ALA 57 N 1.39 0.48 -0.34 3.43 0.00 -0.97 0.48 119.26 123.73 2krk h ALA 57 Ca 0.33 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 2krk h ALA 57 Cb -0.09 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2krk h ALA 57 CO -0.07 -0.26 0.08 0.78 0.00 0.00 0.00 179.25 179.79 2krk h GLY 58 N 0.29 0.53 1.00 0.00 0.00 -0.72 -2.53 103.07 101.65 2krk h GLY 58 Ca 0.19 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 2krk h GLY 58 CO -0.21 0.26 0.25 -0.33 0.00 0.00 0.00 176.54 176.51 2krk h MET 59 N 0.49 0.93 -0.21 4.80 2.07 0.41 0.35 114.93 123.77 2krk h MET 59 Ca 0.12 -0.17 -0.03 0.00 -2.07 0.00 0.00 59.70 57.55 2krk h MET 59 Cb 0.19 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 29.76 2krk h MET 59 CO -0.00 0.79 -0.01 1.88 1.07 0.00 0.00 176.91 180.64 2krk h TYR 60 N 0.87 0.30 0.16 -0.22 0.05 -0.58 -0.77 116.97 116.78 2krk h TYR 60 Ca 0.21 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.96 2krk h TYR 60 Cb 0.20 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.85 2krk h TYR 60 CO 0.01 0.32 -0.08 0.00 -1.05 0.00 0.00 178.16 177.37 2krk h ALA 61 N 1.71 -0.21 -0.82 3.88 0.00 -1.05 -3.31 119.26 119.45 2krk h ALA 61 Ca 0.07 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2krk h ALA 61 Cb 0.22 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2krk h ALA 61 CO 0.01 -0.33 0.54 -0.07 0.00 0.00 0.00 179.25 179.40 2krk h LEU 62 N -0.78 0.94 -2.57 0.00 3.38 -0.72 0.96 115.31 116.51 2krk h LEU 62 Ca -0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2krk h LEU 62 Cb 0.53 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2krk h LEU 62 CO 0.04 0.67 -0.01 0.08 0.09 0.00 0.00 178.44 179.31 2krk h ARG 63 N 1.11 0.00 -0.46 1.13 0.11 -1.28 0.24 114.38 115.22 2krk h ARG 63 Ca 0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.38 2krk h ARG 63 Cb -0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.97 2krk h ARG 63 CO -0.07 0.01 0.00 0.39 0.10 0.00 0.00 179.97 180.40 2krk n GLU 64 N -3.64 3.22 -1.75 0.08 1.02 -0.78 -4.96 120.64 113.84 2krk n GLU 64 Ca -0.03 -2.59 -0.20 0.00 -0.02 0.00 0.00 57.16 54.32 2krk n GLU 64 Cb 0.09 -1.66 -0.07 0.00 -0.02 0.00 0.00 31.44 29.78 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 0.55 -1.42 -1.86 3.49 5.12 0.07 -4.97 116.66 117.65 2krk n ARG 65 Ca 0.20 1.14 -0.34 0.00 -1.93 0.00 0.00 57.85 56.93 2krk n ARG 65 Cb 0.73 -5.54 0.04 0.00 -1.16 0.00 0.00 32.46 26.53 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 -3.97 2.88 -0.01 5.56 0.52 0.26 -4.96 118.95 119.23 2krk s ARG 66 Ca 0.00 1.50 0.15 0.00 -0.52 0.00 0.00 55.73 56.86 2krk s ARG 66 Cb 0.00 -1.95 -0.20 0.00 0.52 0.00 0.00 34.95 33.32 2krk s ARG 66 CO 0.00 -1.21 0.48 0.28 0.02 0.00 0.00 175.30 174.87 2krk n VAL 67 N -2.14 0.00 -4.43 3.52 0.31 -1.26 -4.51 118.33 109.82 2krk n VAL 67 Ca 0.11 -0.25 -0.28 0.00 -0.01 0.00 0.00 64.34 63.91 2krk n VAL 67 Cb 0.51 0.58 -0.13 0.00 -0.91 0.00 0.00 33.84 33.89 2krk n VAL 67 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2krk s HIS 68 N -2.72 2.21 -0.10 3.52 3.76 -1.26 -4.45 115.29 116.25 2krk s HIS 68 Ca 0.00 -0.39 -0.02 0.00 -0.15 0.00 0.00 55.06 54.50 2krk s HIS 68 Cb 0.10 -1.21 -0.03 0.00 1.11 0.00 0.00 32.58 32.55 2krk s HIS 68 CO 0.62 0.29 0.01 0.08 -0.85 0.00 0.00 174.74 174.89 2krk s VAL 69 N -1.05 4.38 0.21 -0.90 1.01 0.97 -4.86 120.40 120.17 2krk s VAL 69 Ca 0.12 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.91 2krk s VAL 69 Cb -0.10 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2krk s VAL 69 CO 0.05 0.59 0.36 0.42 0.00 0.00 0.00 175.10 176.53 2krk s THR 70 N -0.78 5.25 0.44 3.92 -4.23 -1.26 -1.98 115.64 117.00 2krk s THR 70 Ca 0.12 -0.69 0.10 0.00 -1.18 0.00 0.00 61.69 60.03 2krk s THR 70 Cb -0.12 -3.79 0.26 0.00 1.34 0.00 0.00 72.50 70.19 2krk s THR 70 CO 0.02 -0.24 2.08 -0.61 -0.54 0.00 0.00 174.62 175.33 2krk h GLN 71 N 1.63 0.38 -0.92 3.99 4.15 -1.96 -2.32 115.11 120.06 2krk h GLN 71 Ca -0.50 -0.03 0.08 0.00 0.77 0.00 0.00 58.65 58.98 2krk h GLN 71 Cb 1.21 -0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.75 2krk h GLN 71 CO 0.65 0.26 0.58 0.93 -1.93 0.00 0.00 178.83 179.32 2krk h GLU 72 N 0.39 0.98 -0.37 1.69 3.07 -1.99 -1.92 114.58 116.42 2krk h GLU 72 Ca 0.10 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2krk h GLU 72 Cb -0.03 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.64 2krk h GLU 72 CO -0.02 0.65 0.24 -0.44 -1.40 0.00 0.00 179.01 178.04 2krk h ASP 73 N 1.01 0.44 0.45 1.42 3.32 -1.77 -0.94 116.42 120.35 2krk h ASP 73 Ca 0.42 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.43 2krk h ASP 73 Cb 0.25 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2krk h ASP 73 CO -0.20 0.33 -0.26 -0.26 -1.72 0.00 0.00 179.24 177.13 2krk h PHE 74 N 0.50 -0.68 -0.15 4.55 0.04 -1.40 0.38 116.94 120.17 2krk h PHE 74 Ca 0.14 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 2krk h PHE 74 Cb -0.04 0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 2krk h PHE 74 CO -0.05 -0.41 -0.15 1.05 -0.60 0.00 0.00 178.31 178.16 2krk h GLU 75 N -0.67 0.25 -0.41 1.51 4.11 -1.32 0.81 114.58 118.86 2krk h GLU 75 Ca -0.05 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.25 2krk h GLU 75 Cb 0.54 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2krk h GLU 75 CO 0.06 0.40 -0.00 0.52 0.07 0.00 0.00 179.01 180.06 2krk h MET 76 N 0.23 0.72 -0.76 1.06 2.86 -1.04 -3.10 114.93 114.89 2krk h MET 76 Ca 0.05 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 2krk h MET 76 Cb 0.40 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 2krk h MET 76 CO 0.02 0.81 0.37 0.00 1.06 0.00 0.00 176.91 179.17 2krk h ALA 77 N 0.89 1.21 -0.28 6.32 0.00 0.14 -2.84 119.26 124.70 2krk h ALA 77 Ca 0.12 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2krk h ALA 77 Cb 0.48 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2krk h ALA 77 CO 0.02 0.60 -0.08 0.28 0.00 0.00 0.00 179.25 180.08 2krk h VAL 78 N 1.08 0.70 -0.69 0.00 2.07 -0.82 0.18 116.25 118.78 2krk h VAL 78 Ca 0.26 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 2krk h VAL 78 Cb 0.11 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2krk h VAL 78 CO -0.03 0.00 0.39 0.00 0.02 0.00 0.00 177.57 177.95 2krk h ALA 79 N 1.27 0.89 0.02 1.67 0.00 -1.46 -0.68 119.26 120.97 2krk h ALA 79 Ca 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2krk h ALA 79 Cb 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2krk h ALA 79 CO -0.30 0.39 -0.01 -0.22 0.00 0.00 0.00 179.25 179.11 2krk h LYS 80 N 0.95 -0.03 -0.32 0.00 3.64 -1.22 0.33 116.57 119.92 2krk h LYS 80 Ca 0.25 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2krk h LYS 80 Cb 0.02 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2krk h LYS 80 CO -0.04 0.57 0.16 0.28 -2.27 0.00 0.00 179.45 178.15 2krk h VAL 81 N -0.67 1.16 -0.01 2.00 2.07 -0.67 -2.21 116.25 117.92 2krk h VAL 81 Ca -0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2krk h VAL 81 Cb 0.62 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2krk h VAL 81 CO 0.01 0.16 0.00 0.23 0.02 0.00 0.00 177.57 177.99 2krk n MET 82 N -4.76 1.07 -2.04 1.57 2.81 -0.27 -4.89 117.12 110.63 2krk n MET 82 Ca -0.01 -0.11 -0.20 0.00 -1.81 0.00 0.00 57.70 55.56 2krk n MET 82 Cb 0.11 -1.41 -0.04 0.00 -0.71 0.00 0.00 33.22 31.17 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 -0.78 -1.60 -3.00 0.03 6.02 -0.64 -4.91 117.38 112.50 2krk n GLN 83 Ca 0.19 1.08 -0.43 0.00 -0.01 0.00 0.00 57.00 57.83 2krk n GLN 83 Cb 0.12 -5.61 -0.05 0.00 1.02 0.00 0.00 30.24 25.71 2krk n GLN 83 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2krk s LYS 84 N -4.45 3.28 0.56 -1.09 2.36 0.11 -4.99 119.74 115.53 2krk s LYS 84 Ca 0.00 -0.41 0.07 0.00 -2.55 0.00 0.00 55.97 53.08 2krk s LYS 84 Cb 0.00 -4.02 0.07 0.00 -1.05 0.00 0.00 37.83 32.82 2krk s LYS 84 CO 0.00 -1.25 0.60 0.34 1.55 0.00 0.00 175.35 176.58 2krk s ASP 85 N 2.50 4.84 0.00 1.43 2.15 -1.26 -4.71 116.67 121.62 2krk s ASP 85 Ca 0.25 -1.08 0.18 0.00 0.43 0.00 0.00 52.55 52.34 2krk s ASP 85 Cb -0.14 0.41 1.10 0.00 -0.30 0.00 0.00 42.92 43.98 2krk s ASP 85 CO 0.18 -1.24 1.50 -0.24 -0.17 0.00 0.00 175.17 175.19