#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmk s PHE 2 N 0.00 2.93 -0.12 0.66 0.40 0.37 -4.94 117.98 117.28 2kmk s PHE 2 Ca 0.00 -0.56 -0.02 0.00 -0.60 0.00 0.00 56.93 55.76 2kmk s PHE 2 Cb 0.00 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 2kmk s PHE 2 CO 0.00 -0.21 -0.07 -0.51 0.70 0.00 0.00 175.22 175.13 2kmk s ASP 3 N 0.59 4.57 0.17 1.36 1.11 -1.26 0.38 116.67 123.59 2kmk s ASP 3 Ca -0.05 -0.14 -0.32 0.00 0.18 0.00 0.00 52.55 52.22 2kmk s ASP 3 Cb -0.15 -1.56 -0.10 0.00 1.07 0.00 0.00 42.92 42.18 2kmk s ASP 3 CO 0.03 0.23 1.61 0.00 1.18 0.00 0.00 175.17 178.22 2kmk n LYS 5 N 4.04 2.17 0.00 0.00 5.02 -1.26 -3.72 118.16 124.41 2kmk n LYS 5 Ca 0.14 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.35 2kmk n LYS 5 Cb 0.38 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 2kmk n LYS 5 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2kmk n ILE 6 N -1.13 0.00 0.00 -0.18 5.41 -1.26 -4.91 119.36 117.29 2kmk n ILE 6 Ca 0.53 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.28 2kmk n ILE 6 Cb 1.45 -0.87 0.00 0.00 -0.71 0.00 0.00 39.64 39.51 2kmk n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kmk n GLY 8 N 0.31 0.60 3.06 0.00 0.00 -1.24 -5.13 105.19 102.78 2kmk n GLY 8 Ca 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 2kmk n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kmk s LYS 9 N -0.79 0.44 0.24 1.61 2.20 -1.26 -4.98 119.74 117.20 2kmk s LYS 9 Ca 0.00 -0.55 0.08 0.00 -0.36 0.00 0.00 55.97 55.14 2kmk s LYS 9 Cb 0.00 0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.45 2kmk s LYS 9 CO 0.00 -0.10 0.07 -1.54 -0.36 0.00 0.00 175.35 173.42 2kmk s SER 10 N -1.56 4.96 -0.04 1.43 1.04 -1.26 0.10 113.70 118.36 2kmk s SER 10 Ca -0.13 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2kmk s SER 10 Cb -0.07 -1.09 0.03 0.00 0.10 0.00 0.00 66.02 64.98 2kmk s SER 10 CO -0.00 0.01 -0.01 -0.36 0.98 0.00 0.00 173.24 173.85 2kmk s PHE 11 N -2.13 0.46 0.14 5.02 0.08 0.16 -4.93 117.98 116.78 2kmk s PHE 11 Ca 0.31 -0.06 0.32 0.00 0.12 0.00 0.00 56.93 57.61 2kmk s PHE 11 Cb -0.08 -0.53 1.30 0.00 -0.57 0.00 0.00 43.02 43.15 2kmk s PHE 11 CO 0.22 -0.17 1.96 0.87 -0.10 0.00 0.00 175.22 178.00 2kmk h LYS 12 N 7.41 0.00 -5.51 0.44 6.56 -1.96 0.11 116.57 123.63 2kmk h LYS 12 Ca -0.37 0.00 -0.51 0.00 -1.06 0.00 0.00 60.65 58.70 2kmk h LYS 12 Cb 1.14 0.00 -0.29 0.00 -0.57 0.00 0.00 32.23 32.51 2kmk h LYS 12 CO 0.43 0.05 -0.82 1.03 -2.06 0.00 0.00 179.45 178.09 2kmk s ARG 13 N -3.70 1.26 0.43 3.15 1.81 -1.26 -4.76 118.95 115.88 2kmk s ARG 13 Ca 0.01 -0.61 0.09 0.00 -1.72 0.00 0.00 55.73 53.50 2kmk s ARG 13 Cb 0.09 -1.23 0.95 0.00 -0.45 0.00 0.00 34.95 34.31 2kmk s ARG 13 CO 0.56 0.33 2.06 1.03 -0.68 0.00 0.00 175.30 178.61 2kmk h SER 14 N 5.62 0.38 0.19 0.23 0.87 -1.96 -1.67 113.55 117.21 2kmk h SER 14 Ca -0.36 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 2kmk h SER 14 Cb 1.16 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2kmk h SER 14 CO 0.48 0.27 -0.09 0.77 -0.53 0.00 0.00 176.83 177.73 2kmk h SER 15 N 0.45 -0.21 -0.68 6.23 4.64 -1.97 0.74 113.55 122.75 2kmk h SER 15 Ca 0.14 -0.05 0.05 0.00 -0.47 0.00 0.00 61.79 61.46 2kmk h SER 15 Cb 0.03 0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 2kmk h SER 15 CO -0.03 -0.08 0.45 0.71 -0.87 0.00 0.00 176.83 177.00 2kmk h THR 16 N -0.33 1.05 -0.38 2.95 1.35 -1.83 0.14 112.91 115.87 2kmk h THR 16 Ca -0.03 -0.26 -0.15 0.00 -0.55 0.00 0.00 66.41 65.43 2kmk h THR 16 Cb 0.26 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 66.91 2kmk h THR 16 CO 0.04 0.14 -0.35 0.25 -0.25 0.00 0.00 175.52 175.35 2kmk h LEU 17 N 0.75 0.96 -0.33 3.87 5.85 -0.69 -1.50 115.31 124.22 2kmk h LEU 17 Ca 0.28 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.61 2kmk h LEU 17 Cb 0.17 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 2kmk h LEU 17 CO -0.09 1.22 -0.10 -1.28 -0.34 0.00 0.00 178.44 177.86 2kmk h SER 18 N 0.72 -0.35 -0.52 1.25 0.87 0.32 0.85 113.55 116.68 2kmk h SER 18 Ca 0.06 0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 2kmk h SER 18 Cb 0.94 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 2kmk h SER 18 CO 0.09 -0.13 0.06 0.74 -0.53 0.00 0.00 176.83 177.06 2kmk h THR 19 N -0.02 1.25 -0.75 2.23 2.02 -1.17 -0.43 112.91 116.04 2kmk h THR 19 Ca 0.16 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 2kmk h THR 19 Cb 0.27 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 2kmk h THR 19 CO -0.35 0.37 0.43 -0.74 0.37 0.00 0.00 175.52 175.60 2kmk h HIS 20 N 0.88 1.01 -0.45 3.16 6.17 -0.02 0.62 115.15 126.51 2kmk h HIS 20 Ca 0.17 -0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.21 2kmk h HIS 20 Cb 0.44 -0.33 -0.02 0.00 2.52 0.00 0.00 27.41 30.02 2kmk h HIS 20 CO 0.03 0.70 0.15 -0.07 0.71 0.00 0.00 177.93 179.45 2kmk h LEU 21 N 1.03 0.60 -1.45 0.26 3.38 0.13 0.23 115.31 119.50 2kmk h LEU 21 Ca 0.27 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2kmk h LEU 21 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2kmk h LEU 21 CO -0.05 0.57 -0.27 -0.07 0.09 0.00 0.00 178.44 178.71 2kmk h LEU 22 N 0.65 0.01 -1.00 1.67 3.38 0.68 0.25 115.31 120.94 2kmk h LEU 22 Ca 0.15 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.14 2kmk h LEU 22 Cb 0.18 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 2kmk h LEU 22 CO -0.01 0.28 0.66 0.40 0.09 0.00 0.00 178.44 179.86 2kmk h ILE 23 N 0.00 1.25 0.34 1.22 2.04 0.15 1.07 117.51 123.58 2kmk h ILE 23 Ca -0.00 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 2kmk h ILE 23 Cb 0.49 -0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2kmk h ILE 23 CO 0.04 0.25 -0.16 0.45 0.00 0.00 0.00 178.15 178.72 2kmk h HIS 24 N 1.35 -0.42 0.00 1.37 3.86 -0.79 -3.19 115.15 117.33 2kmk h HIS 24 Ca 0.37 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2kmk h HIS 24 Cb -0.14 0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2kmk h HIS 24 CO -0.00 -0.26 0.00 0.43 0.86 0.00 0.00 177.93 178.96 2kmk n SER 25 N -4.83 0.00 -3.85 2.45 7.64 0.73 -4.85 113.62 110.90 2kmk n SER 25 Ca -0.06 0.24 -0.35 0.00 1.01 0.00 0.00 58.87 59.71 2kmk n SER 25 Cb 0.18 -0.28 0.02 0.00 -1.01 0.00 0.00 64.21 63.11 2kmk n SER 25 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kmk n ASP 26 N -1.28 -4.82 -4.48 6.43 8.00 0.37 -4.89 116.55 115.88 2kmk n ASP 26 Ca 0.02 -1.08 -0.42 0.00 0.71 0.00 0.00 54.79 54.01 2kmk n ASP 26 Cb 0.03 -2.27 -0.10 0.00 -0.02 0.00 0.00 41.12 38.76 2kmk n ASP 26 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2kmk s THR 27 N -3.34 5.24 -0.62 -3.53 2.01 -1.14 -5.00 115.64 109.24 2kmk s THR 27 Ca 0.34 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 61.89 2kmk s THR 27 Cb -0.16 -3.90 0.18 0.00 0.01 0.00 0.00 72.50 68.62 2kmk s THR 27 CO 0.92 -0.26 0.47 0.54 -0.69 0.00 0.00 174.62 175.60 2kmk n ARG 28 N 5.22 1.45 0.00 4.92 3.00 -1.26 -4.44 116.66 125.55 2kmk n ARG 28 Ca -0.11 -4.15 0.01 0.00 -0.01 0.00 0.00 57.85 53.60 2kmk n ARG 28 Cb 0.48 -2.11 0.08 0.00 0.00 0.00 0.00 32.46 30.91 2kmk n ARG 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2kmk n PRO 29 N 2.09 0.93 -3.86 5.56 -0.04 -1.19 -4.44 135.00 134.04 2kmk n PRO 29 Ca 0.23 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.38 2kmk n PRO 29 Cb 0.39 -1.05 -0.12 0.00 -0.04 0.00 0.00 33.50 32.69 2kmk n PRO 29 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2kmk s TYR 30 N -2.00 3.45 0.24 0.54 2.02 -0.86 -5.00 117.35 115.75 2kmk s TYR 30 Ca 0.04 -3.17 -0.23 0.00 -0.37 0.00 0.00 57.07 53.33 2kmk s TYR 30 Cb 0.02 -2.88 -0.09 0.00 -0.40 0.00 0.00 41.96 38.62 2kmk s TYR 30 CO 0.03 -0.67 0.81 -1.25 -1.57 0.00 0.00 175.55 172.90 2kmk s PRO 31 N -0.87 4.46 0.56 -1.71 0.04 -1.26 0.24 135.00 136.47 2kmk s PRO 31 Ca 0.21 1.10 -0.19 0.00 0.04 0.00 0.00 61.00 62.16 2kmk s PRO 31 Cb -0.14 -2.98 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 2kmk s PRO 31 CO -0.09 0.42 1.18 0.00 0.04 0.00 0.00 177.00 178.55 2kmk h GLN 33 N 1.09 0.00 0.00 0.00 3.07 -1.93 -3.31 115.11 114.03 2kmk h GLN 33 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.24 2kmk h GLN 33 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 2kmk h GLN 33 CO 0.56 0.22 -0.02 0.66 0.09 0.00 0.00 178.83 180.34 2kmk n TYR 34 N -2.91 0.00 0.15 0.06 4.02 -1.26 -4.75 117.16 112.48 2kmk n TYR 34 Ca -0.04 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.91 2kmk n TYR 34 Cb 0.71 -0.01 0.06 0.00 -0.02 0.00 0.00 39.34 40.08 2kmk n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kmk n GLY 36 N 1.20 0.41 3.30 0.00 0.00 -1.25 -5.01 105.19 103.84 2kmk n GLY 36 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2kmk n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kmk n LYS 37 N -1.73 0.01 -4.12 1.61 5.02 -1.26 -3.93 118.16 113.76 2kmk n LYS 37 Ca 0.00 0.03 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 2kmk n LYS 37 Cb 0.00 -1.51 -0.13 0.00 -0.02 0.00 0.00 35.03 33.36 2kmk n LYS 37 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2kmk s ARG 38 N -2.60 3.47 0.33 1.97 1.81 -1.26 0.74 118.95 123.41 2kmk s ARG 38 Ca 0.55 -0.60 0.09 0.00 -1.72 0.00 0.00 55.73 54.05 2kmk s ARG 38 Cb -0.28 -2.96 -0.05 0.00 -0.45 0.00 0.00 34.95 31.21 2kmk s ARG 38 CO 0.69 -0.04 0.07 -0.06 -0.68 0.00 0.00 175.30 175.27 2kmk s PHE 39 N 1.09 2.63 -1.41 -0.53 0.08 0.14 -4.93 117.98 115.05 2kmk s PHE 39 Ca 0.01 -0.40 0.18 0.00 0.12 0.00 0.00 56.93 56.85 2kmk s PHE 39 Cb -0.15 -1.54 -0.07 0.00 -0.57 0.00 0.00 43.02 40.69 2kmk s PHE 39 CO -0.00 0.43 0.88 -2.39 -0.10 0.00 0.00 175.22 174.04 2kmk n HIS 40 N -1.04 0.00 -3.82 0.36 1.44 -1.26 -2.02 115.22 108.88 2kmk n HIS 40 Ca -0.04 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.43 2kmk n HIS 40 Cb 0.62 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.55 2kmk n HIS 40 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2kmk s GLN 41 N -2.34 0.94 0.13 -1.40 -0.21 -1.26 -4.83 119.66 110.68 2kmk s GLN 41 Ca 0.12 -0.04 -0.27 0.00 0.02 0.00 0.00 55.36 55.19 2kmk s GLN 41 Cb 0.15 -1.23 -0.07 0.00 1.00 0.00 0.00 33.01 32.86 2kmk s GLN 41 CO 0.57 -0.30 1.47 -0.22 -2.12 0.00 0.00 175.29 174.69 2kmk h LYS 42 N 8.27 -0.09 -0.64 2.91 3.64 -1.95 0.29 116.57 129.00 2kmk h LYS 42 Ca -0.23 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.34 2kmk h LYS 42 Cb 1.13 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 2kmk h LYS 42 CO 0.31 -0.06 0.46 0.66 -2.27 0.00 0.00 179.45 178.55 2kmk h SER 43 N -0.10 0.01 0.07 4.20 4.64 -1.97 0.51 113.55 120.91 2kmk h SER 43 Ca 0.12 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.16 2kmk h SER 43 Cb 0.40 -0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2kmk h SER 43 CO -0.73 0.01 -1.12 0.44 -0.87 0.00 0.00 176.83 174.55 2kmk h ASP 44 N 0.01 0.88 -0.31 4.97 3.32 -0.91 -0.79 116.42 123.59 2kmk h ASP 44 Ca 0.30 -0.75 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 2kmk h ASP 44 Cb 1.20 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 2kmk h ASP 44 CO -0.01 1.55 0.19 -0.03 -1.72 0.00 0.00 179.24 179.23 2kmk h MET 45 N 0.34 0.43 -0.92 3.56 1.85 0.40 0.12 114.93 120.71 2kmk h MET 45 Ca -0.15 -0.04 0.14 0.00 -0.61 0.00 0.00 59.70 59.04 2kmk h MET 45 Cb 1.78 -0.09 -0.07 0.00 0.43 0.00 0.00 31.60 33.65 2kmk h MET 45 CO 0.22 0.32 0.59 -0.22 -0.40 0.00 0.00 176.91 177.42 2kmk h LYS 46 N 0.41 0.76 -0.16 0.39 3.64 0.01 1.31 116.57 122.93 2kmk h LYS 46 Ca 0.11 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2kmk h LYS 46 Cb 0.01 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2kmk h LYS 46 CO -0.02 0.50 -0.25 0.87 -2.27 0.00 0.00 179.45 178.28 2kmk h LYS 47 N 0.78 0.29 0.77 1.90 1.57 0.45 0.06 116.57 122.39 2kmk h LYS 47 Ca 0.46 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 59.11 2kmk h LYS 47 Cb 0.65 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.95 2kmk h LYS 47 CO -0.22 0.52 -0.37 1.25 -0.57 0.00 0.00 179.45 180.06 2kmk h HIS 48 N 0.26 -0.96 -1.09 -1.35 2.76 0.38 -2.32 115.15 112.83 2kmk h HIS 48 Ca 0.04 -0.02 0.30 0.00 -2.20 0.00 0.00 60.37 58.49 2kmk h HIS 48 Cb 0.58 0.32 -0.10 0.00 1.55 0.00 0.00 27.41 29.75 2kmk h HIS 48 CO 0.01 -0.60 0.69 1.79 -1.30 0.00 0.00 177.93 178.53 2kmk h THR 49 N -1.27 0.44 -0.07 6.26 1.35 0.77 0.64 112.91 121.02 2kmk h THR 49 Ca -0.11 -0.12 -0.11 0.00 -0.55 0.00 0.00 66.41 65.53 2kmk h THR 49 Cb 0.79 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 2kmk h THR 49 CO 0.17 0.06 -0.44 -0.26 -0.25 0.00 0.00 175.52 174.80 2kmk h PHE 50 N 0.34 0.20 -0.17 4.73 -1.00 -0.72 -1.23 116.94 119.09 2kmk h PHE 50 Ca 0.65 -0.06 -0.06 0.00 2.81 0.00 0.00 57.97 61.31 2kmk h PHE 50 Cb 1.70 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 41.20 2kmk h PHE 50 CO -0.00 0.59 -0.17 -0.84 -1.61 0.00 0.00 178.31 176.27 2kmk h ILE 51 N 0.14 1.21 0.03 -0.55 3.07 0.84 0.54 117.51 122.79 2kmk h ILE 51 Ca 0.01 -0.93 -0.22 0.00 1.55 0.00 0.00 64.86 65.26 2kmk h ILE 51 Cb 0.84 1.27 -0.01 0.00 -0.27 0.00 0.00 36.82 38.66 2kmk h ILE 51 CO 0.07 0.29 -0.98 0.45 -1.05 0.00 0.00 178.15 176.93 2kmk h HIS 52 N 0.26 0.40 0.00 0.16 3.86 -1.03 -2.98 115.15 115.82 2kmk h HIS 52 Ca 0.05 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 2kmk h HIS 52 Cb 0.46 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2kmk h HIS 52 CO 0.01 1.09 0.00 1.79 0.86 0.00 0.00 177.93 181.68 2kmk h THR 53 N 0.13 0.00 -4.48 2.45 1.35 -0.86 -3.47 112.91 108.03 2kmk h THR 53 Ca -0.07 -0.66 -0.02 0.00 -0.55 0.00 0.00 66.41 65.12 2kmk h THR 53 Cb 1.64 1.65 0.01 0.00 -1.73 0.00 0.00 68.15 69.72 2kmk h THR 53 CO 0.16 0.00 -0.05 0.61 -0.25 0.00 0.00 175.52 175.98 2kmk n GLY 54 N 1.19 -0.83 3.18 5.82 0.00 0.14 -5.02 105.19 109.68 2kmk n GLY 54 Ca 0.05 0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 2kmk n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kmk s GLU 55 N -3.09 2.90 -0.51 1.61 2.02 0.14 -5.00 118.70 116.78 2kmk s GLU 55 Ca 0.03 -0.82 0.05 0.00 0.02 0.00 0.00 54.97 54.24 2kmk s GLU 55 Cb -0.00 -2.25 0.18 0.00 0.10 0.00 0.00 34.13 32.16 2kmk s GLU 55 CO 0.46 0.11 0.41 1.63 0.02 0.00 0.00 175.26 177.89 2kmk n LYS 56 N 3.72 0.79 0.00 1.61 4.76 -1.26 -4.54 118.16 123.23 2kmk n LYS 56 Ca -0.20 -3.62 0.07 0.00 -2.87 0.00 0.00 58.31 51.70 2kmk n LYS 56 Cb 0.52 -1.85 0.43 0.00 -1.84 0.00 0.00 35.03 32.30 2kmk n LYS 56 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2kmk n PRO 57 N 2.41 0.49 -3.73 1.97 -0.04 -1.24 -4.31 135.00 130.56 2kmk n PRO 57 Ca 0.26 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.36 2kmk n PRO 57 Cb 0.44 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 2kmk n PRO 57 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2kmk s HIS 58 N -2.00 3.40 -0.10 0.54 3.76 -0.70 -4.99 115.29 115.20 2kmk s HIS 58 Ca 0.22 -2.76 -0.15 0.00 -0.15 0.00 0.00 55.06 52.21 2kmk s HIS 58 Cb 0.10 -3.18 -0.05 0.00 1.11 0.00 0.00 32.58 30.56 2kmk s HIS 58 CO 0.17 -0.83 0.36 0.15 -0.85 0.00 0.00 174.74 173.74 2kmk s LYS 59 N -0.16 4.13 -0.29 1.40 1.02 -1.26 0.11 119.74 124.70 2kmk s LYS 59 Ca 0.17 0.26 -0.29 0.00 0.02 0.00 0.00 55.97 56.14 2kmk s LYS 59 Cb -0.20 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 33.77 2kmk s LYS 59 CO -0.03 0.38 1.05 0.00 -0.92 0.00 0.00 175.35 175.82 2kmk n GLN 61 N 6.63 1.48 -0.04 0.00 1.13 -1.26 -2.94 117.38 122.39 2kmk n GLN 61 Ca 0.12 -0.59 -0.04 0.00 -1.94 0.00 0.00 57.00 54.55 2kmk n GLN 61 Cb 0.47 -1.26 -0.01 0.00 0.11 0.00 0.00 30.24 29.54 2kmk n GLN 61 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2kmk n VAL 62 N 0.00 0.64 0.64 5.09 0.31 -1.26 -4.80 118.33 118.95 2kmk n VAL 62 Ca 0.05 0.35 0.07 0.00 -0.01 0.00 0.00 64.34 64.80 2kmk n VAL 62 Cb 0.22 -1.87 -0.04 0.00 -0.91 0.00 0.00 33.84 31.23 2kmk n VAL 62 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kmk n GLY 64 N 1.21 1.19 3.87 0.00 0.00 -1.15 -5.11 105.19 105.20 2kmk n GLY 64 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2kmk n GLY 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kmk s LYS 65 N -0.44 1.88 0.03 1.61 2.20 -1.26 -4.80 119.74 118.96 2kmk s LYS 65 Ca 0.00 0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.84 2kmk s LYS 65 Cb 0.00 -1.93 -0.02 0.00 -1.51 0.00 0.00 37.83 34.37 2kmk s LYS 65 CO 0.00 -1.67 -0.05 0.00 -0.36 0.00 0.00 175.35 173.27 2kmk s ALA 66 N -3.46 0.32 0.07 3.13 0.00 -1.26 -0.21 121.76 120.35 2kmk s ALA 66 Ca 0.62 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.92 2kmk s ALA 66 Cb -0.12 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 2kmk s ALA 66 CO 0.51 -0.12 -0.10 -0.06 0.00 0.00 0.00 175.76 175.98 2kmk s PHE 67 N -1.59 0.99 0.09 0.00 0.40 0.29 -4.95 117.98 113.21 2kmk s PHE 67 Ca -0.12 -0.56 0.08 0.00 -0.60 0.00 0.00 56.93 55.73 2kmk s PHE 67 Cb -0.09 -0.56 -0.21 0.00 0.51 0.00 0.00 43.02 42.68 2kmk s PHE 67 CO -0.01 -0.01 1.18 0.66 0.70 0.00 0.00 175.22 177.74 2kmk h SER 68 N 4.03 0.00 -3.95 1.36 4.64 -1.85 -1.86 113.55 115.92 2kmk h SER 68 Ca -0.38 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.26 2kmk h SER 68 Cb 1.19 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.06 2kmk h SER 68 CO 0.46 0.99 -0.82 -1.10 -0.87 0.00 0.00 176.83 175.49 2kmk s GLN 69 N -2.70 1.87 0.12 4.77 -0.21 -1.26 -4.80 119.66 117.45 2kmk s GLN 69 Ca 0.00 -1.10 -0.15 0.00 0.02 0.00 0.00 55.36 54.13 2kmk s GLN 69 Cb 0.10 -2.10 -0.03 0.00 1.00 0.00 0.00 33.01 31.98 2kmk s GLN 69 CO 0.82 0.51 1.57 0.77 -2.12 0.00 0.00 175.29 176.84 2kmk h SER 70 N 4.28 0.63 -0.89 5.90 0.02 -1.98 -1.60 113.55 119.92 2kmk h SER 70 Ca -0.48 -0.30 0.20 0.00 -0.84 0.00 0.00 61.79 60.37 2kmk h SER 70 Cb 1.16 -0.17 -0.12 0.00 0.14 0.00 0.00 62.40 63.41 2kmk h SER 70 CO 0.45 0.77 0.42 -1.28 -1.14 0.00 0.00 176.83 176.05 2kmk h SER 71 N 0.48 0.40 0.26 3.07 0.87 -1.97 1.89 113.55 118.54 2kmk h SER 71 Ca 0.11 0.14 -0.15 0.00 -1.23 0.00 0.00 61.79 60.66 2kmk h SER 71 Cb 0.44 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2kmk h SER 71 CO 0.02 0.06 -0.57 0.78 -0.53 0.00 0.00 176.83 176.59 2kmk h ASN 72 N 0.47 0.37 0.19 6.23 4.21 -1.88 0.15 115.58 125.31 2kmk h ASN 72 Ca 0.54 -0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.84 2kmk h ASN 72 Cb 0.96 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.06 2kmk h ASN 72 CO -0.48 0.86 -0.09 0.25 -1.29 0.00 0.00 177.43 176.68 2kmk h LEU 73 N 0.25 -0.22 -0.05 1.61 5.85 0.18 0.67 115.31 123.60 2kmk h LEU 73 Ca -0.00 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.59 2kmk h LEU 73 Cb 1.08 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 2kmk h LEU 73 CO 0.09 0.05 -0.34 0.40 -0.34 0.00 0.00 178.44 178.31 2kmk h ILE 74 N -0.49 0.27 -0.86 4.05 2.04 0.26 1.32 117.51 124.11 2kmk h ILE 74 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2kmk h ILE 74 Cb 0.37 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 2kmk h ILE 74 CO 0.04 0.00 0.57 0.74 0.00 0.00 0.00 178.15 179.50 2kmk h THR 75 N -0.46 1.20 -0.40 -0.27 2.02 -0.91 0.72 112.91 114.80 2kmk h THR 75 Ca 0.07 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 2kmk h THR 75 Cb 0.57 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2kmk h THR 75 CO -0.31 0.21 0.21 -0.74 0.37 0.00 0.00 175.52 175.26 2kmk h HIS 76 N 1.14 0.57 -0.14 3.16 -0.00 0.42 -0.95 115.15 119.35 2kmk h HIS 76 Ca 0.32 -0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.57 2kmk h HIS 76 Cb -0.10 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 2kmk h HIS 76 CO -0.01 0.46 -0.35 1.03 -0.00 0.00 0.00 177.93 179.06 2kmk h SER 77 N 0.52 0.30 -0.82 3.26 0.87 0.24 -2.06 113.55 115.85 2kmk h SER 77 Ca 0.14 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2kmk h SER 77 Cb 0.09 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 2kmk h SER 77 CO -0.02 0.63 0.48 0.03 -0.53 0.00 0.00 176.83 177.43 2kmk h ARG 78 N 0.25 1.13 -0.43 2.24 3.08 0.12 0.14 114.38 120.92 2kmk h ARG 78 Ca 0.03 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2kmk h ARG 78 Cb 0.74 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2kmk h ARG 78 CO 0.06 0.81 0.19 -0.22 -1.07 0.00 0.00 179.97 179.73 2kmk h LYS 79 N 1.15 0.63 0.20 0.04 1.63 -0.50 0.44 116.57 120.16 2kmk h LYS 79 Ca 0.30 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 2kmk h LYS 79 Cb -0.02 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 2kmk h LYS 79 CO -0.05 0.56 -0.19 0.45 -3.45 0.00 0.00 179.45 176.77 2kmk h HIS 80 N 0.55 -0.49 -0.25 1.91 3.86 -0.90 -2.65 115.15 117.19 2kmk h HIS 80 Ca 0.14 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 2kmk h HIS 80 Cb 0.16 0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 2kmk h HIS 80 CO -0.00 -0.28 0.12 1.79 0.86 0.00 0.00 177.93 180.41 2kmk h THR 81 N -0.41 0.99 0.00 2.45 1.35 -0.45 -3.52 112.91 113.32 2kmk h THR 81 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2kmk h THR 81 Cb 0.38 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2kmk h THR 81 CO -0.04 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.89