#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 3.16 -0.42 7.33 0.08 0.46 -4.95 117.98 123.64 2kmk s PHE 2 Ca 0.00 -0.14 -0.07 0.00 0.12 0.00 0.00 56.93 56.84 2kmk s PHE 2 Cb 0.00 -2.27 0.09 0.00 -0.57 0.00 0.00 43.02 40.27 2kmk s PHE 2 CO 0.00 -0.20 0.25 0.16 -0.10 0.00 0.00 175.22 175.32 2kmk s ASP 3 N 1.48 5.51 0.00 1.36 1.47 -1.26 0.43 116.67 125.66 2kmk s ASP 3 Ca 0.06 -1.68 0.00 0.00 1.18 0.00 0.00 52.55 52.11 2kmk s ASP 3 Cb -0.15 -1.94 0.00 0.00 -0.34 0.00 0.00 42.92 40.49 2kmk s ASP 3 CO 0.06 -0.55 0.00 0.00 0.68 0.00 0.00 175.17 175.36 2kmk n LYS 5 N 0.00 1.27 0.00 0.00 5.02 -1.26 -4.49 118.16 118.70 2kmk n LYS 5 Ca 0.00 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 53.71 2kmk n LYS 5 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 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 -1.40 0.00 0.10 -0.18 2.08 -1.26 -4.93 119.36 113.77 2kmk n ILE 6 Ca 0.16 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 63.29 2kmk n ILE 6 Cb 0.64 -0.33 -0.14 0.00 -0.75 0.00 0.00 39.64 39.05 2kmk n ILE 6 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2kmk n GLY 8 N 1.61 0.91 3.67 0.00 0.00 -1.26 -5.09 105.19 105.04 2kmk n GLY 8 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 0.17 2.36 0.05 1.61 2.20 -1.26 -4.83 119.74 120.05 2kmk s LYS 9 Ca 0.00 -1.39 0.05 0.00 -0.36 0.00 0.00 55.97 54.27 2kmk s LYS 9 Cb 0.00 -2.20 -0.04 0.00 -1.51 0.00 0.00 37.83 34.08 2kmk s LYS 9 CO 0.00 0.35 -0.09 -1.54 -0.36 0.00 0.00 175.35 173.71 2kmk s SER 10 N -3.70 4.44 -0.08 1.43 1.04 -1.26 0.05 113.70 115.61 2kmk s SER 10 Ca 0.32 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.48 2kmk s SER 10 Cb -0.06 -0.92 0.02 0.00 0.10 0.00 0.00 66.02 65.15 2kmk s SER 10 CO 0.21 0.23 -0.09 -0.36 0.98 0.00 0.00 173.24 174.21 2kmk s PHE 11 N -1.09 1.32 0.10 5.02 0.08 0.17 -4.98 117.98 118.60 2kmk s PHE 11 Ca 0.19 -0.54 0.30 0.00 0.12 0.00 0.00 56.93 57.00 2kmk s PHE 11 Cb -0.11 -1.06 1.21 0.00 -0.57 0.00 0.00 43.02 42.49 2kmk s PHE 11 CO 0.10 -0.36 1.93 0.87 -0.10 0.00 0.00 175.22 177.67 2kmk h LYS 12 N 7.52 0.00 -6.02 0.44 1.57 -1.95 0.13 116.57 118.26 2kmk h LYS 12 Ca -0.31 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.79 2kmk h LYS 12 Cb 1.16 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.22 2kmk h LYS 12 CO 0.44 0.07 -0.78 1.03 -0.57 0.00 0.00 179.45 179.63 2kmk s ARG 13 N -3.66 2.75 0.27 3.15 1.81 -1.26 -3.86 118.95 118.15 2kmk s ARG 13 Ca 0.01 -0.71 -0.01 0.00 -1.72 0.00 0.00 55.73 53.30 2kmk s ARG 13 Cb 0.09 -2.43 0.36 0.00 -0.45 0.00 0.00 34.95 32.53 2kmk s ARG 13 CO 0.57 0.49 1.75 1.03 -0.68 0.00 0.00 175.30 178.47 2kmk h SER 14 N 5.78 0.69 -0.54 0.23 0.87 -1.98 -2.03 113.55 116.57 2kmk h SER 14 Ca -0.39 -0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 59.90 2kmk h SER 14 Cb 1.17 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 2kmk h SER 14 CO 0.51 0.80 -0.01 -1.28 -0.53 0.00 0.00 176.83 176.32 2kmk h SER 15 N 0.66 0.96 0.18 6.23 0.87 -1.97 0.84 113.55 121.33 2kmk h SER 15 Ca 0.12 -0.27 -0.07 0.00 -1.23 0.00 0.00 61.79 60.35 2kmk h SER 15 Cb 0.50 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2kmk h SER 15 CO 0.03 1.02 -0.26 0.74 -0.53 0.00 0.00 176.83 177.82 2kmk h THR 16 N 0.91 1.23 -0.09 2.23 2.02 -1.91 0.38 112.91 117.67 2kmk h THR 16 Ca 0.16 -1.06 -0.18 0.00 0.77 0.00 0.00 66.41 66.10 2kmk h THR 16 Cb 0.54 1.46 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2kmk h THR 16 CO 0.03 0.32 -0.71 0.25 0.37 0.00 0.00 175.52 175.78 2kmk h LEU 17 N 0.13 0.49 0.55 2.58 5.85 -0.51 -1.89 115.31 122.51 2kmk h LEU 17 Ca 0.02 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 2kmk h LEU 17 Cb 0.54 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2kmk h LEU 17 CO 0.04 1.05 -0.37 0.77 -0.34 0.00 0.00 178.44 179.59 2kmk h SER 18 N 0.29 -0.93 -0.93 1.25 4.64 0.27 1.17 113.55 119.31 2kmk h SER 18 Ca -0.03 0.06 0.13 0.00 -0.47 0.00 0.00 61.79 61.49 2kmk h SER 18 Cb 1.28 0.28 -0.09 0.00 -0.31 0.00 0.00 62.40 63.56 2kmk h SER 18 CO 0.12 -0.56 0.55 0.74 -0.87 0.00 0.00 176.83 176.81 2kmk h THR 19 N -0.88 0.83 -0.21 2.95 2.02 -1.24 0.40 112.91 116.78 2kmk h THR 19 Ca -0.06 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 2kmk h THR 19 Cb 0.73 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2kmk h THR 19 CO 0.05 0.15 0.09 -0.74 0.37 0.00 0.00 175.52 175.44 2kmk h HIS 20 N 0.82 0.31 -0.24 3.16 6.17 -0.51 0.68 115.15 125.54 2kmk h HIS 20 Ca 0.48 -0.02 0.05 0.00 0.71 0.00 0.00 60.37 61.60 2kmk h HIS 20 Cb 0.57 -0.10 -0.01 0.00 2.52 0.00 0.00 27.41 30.40 2kmk h HIS 20 CO -0.04 0.33 0.17 -0.07 0.71 0.00 0.00 177.93 179.03 2kmk h LEU 21 N 0.20 0.08 -0.88 0.26 3.38 0.40 0.78 115.31 119.53 2kmk h LEU 21 Ca 0.07 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2kmk h LEU 21 Cb 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2kmk h LEU 21 CO -0.01 0.05 -0.42 -0.07 0.09 0.00 0.00 178.44 178.09 2kmk h LEU 22 N 0.09 0.00 -1.26 1.67 3.38 0.13 -0.72 115.31 118.61 2kmk h LEU 22 Ca 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2kmk h LEU 22 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2kmk h LEU 22 CO -0.01 0.42 -0.03 0.40 0.09 0.00 0.00 178.44 179.30 2kmk h ILE 23 N 0.00 1.19 0.18 1.22 2.04 0.27 1.58 117.51 124.00 2kmk h ILE 23 Ca -0.00 -0.79 -0.31 0.00 1.00 0.00 0.00 64.86 64.76 2kmk h ILE 23 Cb 0.94 1.00 0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2kmk h ILE 23 CO 0.05 0.27 -1.42 0.45 0.00 0.00 0.00 178.15 177.50 2kmk h HIS 24 N 0.45 0.69 -0.11 1.37 3.86 -1.06 -3.27 115.15 117.08 2kmk h HIS 24 Ca 0.10 -0.50 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 2kmk h HIS 24 Cb 0.34 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.79 2kmk h HIS 24 CO 0.01 1.43 0.00 0.43 0.86 0.00 0.00 177.93 180.67 2kmk n SER 25 N -3.59 2.17 -3.96 2.45 7.64 -0.33 -4.95 113.62 113.05 2kmk n SER 25 Ca -0.14 -1.74 -0.30 0.00 1.01 0.00 0.00 58.87 57.70 2kmk n SER 25 Cb 1.06 -0.06 0.01 0.00 -1.01 0.00 0.00 64.21 64.21 2kmk n SER 25 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2kmk n ASP 26 N 0.67 -2.51 0.09 6.43 5.68 0.54 -4.82 116.55 122.63 2kmk n ASP 26 Ca 0.17 -0.82 -0.12 0.00 -0.50 0.00 0.00 54.79 53.52 2kmk n ASP 26 Cb 0.44 -0.99 -0.08 0.00 -1.14 0.00 0.00 41.12 39.36 2kmk n ASP 26 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2kmk h THR 27 N -0.51 0.78 -6.78 2.12 2.02 -1.91 -3.48 112.91 105.16 2kmk h THR 27 Ca -0.45 -0.93 -0.51 0.00 0.77 0.00 0.00 66.41 65.30 2kmk h THR 27 Cb 0.88 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2kmk h THR 27 CO 0.33 0.18 -1.07 0.54 0.37 0.00 0.00 175.52 175.87 2kmk n ARG 28 N -5.00 -1.24 -0.50 6.66 1.74 -1.26 -4.83 116.66 112.23 2kmk n ARG 28 Ca -0.08 0.60 -0.06 0.00 -0.77 0.00 0.00 57.85 57.54 2kmk n ARG 28 Cb 0.26 -2.38 0.12 0.00 -1.02 0.00 0.00 32.46 29.44 2kmk n ARG 28 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2kmk n PRO 29 N -3.20 2.03 -3.68 5.56 -0.04 -1.17 -4.49 135.00 130.01 2kmk n PRO 29 Ca -0.27 -1.40 -0.27 0.00 -0.04 0.00 0.00 63.50 61.52 2kmk n PRO 29 Cb 0.66 -1.66 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 2kmk n PRO 29 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2kmk n TYR 30 N -0.05 2.85 -2.21 0.54 4.01 -0.90 -4.99 117.16 116.41 2kmk n TYR 30 Ca 0.22 -4.15 -0.42 0.00 -0.16 0.00 0.00 57.90 53.39 2kmk n TYR 30 Cb 0.91 -0.52 -0.03 0.00 -0.31 0.00 0.00 39.34 39.39 2kmk n TYR 30 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2kmk s PRO 31 N -1.64 4.29 0.23 -0.72 0.04 -1.26 -1.37 135.00 134.56 2kmk s PRO 31 Ca 0.31 1.99 -0.31 0.00 0.04 0.00 0.00 61.00 63.03 2kmk s PRO 31 Cb 0.03 -3.53 -0.14 0.00 0.04 0.00 0.00 34.50 30.90 2kmk s PRO 31 CO -0.12 -0.56 1.32 0.00 0.04 0.00 0.00 177.00 177.67 2kmk n GLN 33 N 1.81 0.09 0.00 0.00 0.00 -1.26 -3.29 117.38 114.73 2kmk n GLN 33 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 57.00 57.18 2kmk n GLN 33 Cb 0.30 -1.59 0.00 0.00 0.00 0.00 0.00 30.24 28.95 2kmk n GLN 33 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2kmk n TYR 34 N -1.73 0.00 0.17 2.61 4.01 -1.26 -4.80 117.16 116.15 2kmk n TYR 34 Ca 0.06 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.92 2kmk n TYR 34 Cb 0.37 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.47 2kmk n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kmk n GLY 36 N 1.15 0.53 3.41 0.00 0.00 -1.21 -5.01 105.19 104.06 2kmk n GLY 36 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.93 -1.14 -3.97 1.61 5.02 -1.26 -4.18 118.16 112.31 2kmk n LYS 37 Ca 0.00 -0.30 -0.31 0.00 -2.02 0.00 0.00 58.31 55.68 2kmk n LYS 37 Cb 0.00 -1.92 -0.15 0.00 -0.02 0.00 0.00 35.03 32.93 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 -3.83 1.68 0.64 1.97 1.81 -1.26 0.57 118.95 120.52 2kmk s ARG 38 Ca 0.60 -1.23 -0.03 0.00 -1.72 0.00 0.00 55.73 53.35 2kmk s ARG 38 Cb -0.19 -2.72 0.05 0.00 -0.45 0.00 0.00 34.95 31.65 2kmk s ARG 38 CO 0.65 -0.68 0.91 -0.06 -0.68 0.00 0.00 175.30 175.44 2kmk s PHE 39 N 1.26 2.78 -0.35 -0.53 0.40 -0.47 -4.85 117.98 116.22 2kmk s PHE 39 Ca -0.03 0.18 0.06 0.00 -0.60 0.00 0.00 56.93 56.54 2kmk s PHE 39 Cb -0.19 -2.99 0.46 0.00 0.51 0.00 0.00 43.02 40.81 2kmk s PHE 39 CO -0.08 -1.20 1.31 -2.39 0.70 0.00 0.00 175.22 173.57 2kmk n HIS 40 N -2.66 2.83 0.00 0.36 1.44 -1.26 -2.12 115.22 113.82 2kmk n HIS 40 Ca 0.09 -2.36 0.00 0.00 -2.01 0.00 0.00 57.72 53.44 2kmk n HIS 40 Cb 0.60 -0.50 0.00 0.00 0.12 0.00 0.00 29.99 30.22 2kmk n HIS 40 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2kmk n GLN 41 N -0.73 0.00 -0.12 -1.40 6.02 -1.26 -4.97 117.38 114.92 2kmk n GLN 41 Ca 0.47 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.42 2kmk n GLN 41 Cb 0.92 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.15 2kmk n GLN 41 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2kmk n LYS 42 N 0.00 -0.13 -0.34 -1.09 4.81 -1.26 0.80 118.16 120.96 2kmk n LYS 42 Ca 0.00 0.76 0.11 0.00 -0.87 0.00 0.00 58.31 58.32 2kmk n LYS 42 Cb 0.00 -1.13 0.32 0.00 0.02 0.00 0.00 35.03 34.23 2kmk n LYS 42 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2kmk h SER 43 N 0.00 0.79 -0.56 3.14 0.02 -1.97 0.69 113.55 115.65 2kmk h SER 43 Ca 0.05 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 2kmk h SER 43 Cb 0.12 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2kmk h SER 43 CO -0.27 0.35 0.12 -0.78 -1.14 0.00 0.00 176.83 175.12 2kmk h ASP 44 N 0.81 0.86 -0.41 3.07 3.58 -0.01 0.13 116.42 124.46 2kmk h ASP 44 Ca 0.52 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 2kmk h ASP 44 Cb 0.75 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 2kmk h ASP 44 CO -0.30 0.88 0.16 -0.03 -2.88 0.00 0.00 179.24 177.07 2kmk h MET 45 N 0.80 0.61 -0.87 0.28 4.05 0.15 -1.36 114.93 118.61 2kmk h MET 45 Ca 0.17 -0.11 0.16 0.00 -0.28 0.00 0.00 59.70 59.64 2kmk h MET 45 Cb 0.36 -0.10 -0.10 0.00 -0.80 0.00 0.00 31.60 30.96 2kmk h MET 45 CO 0.00 0.58 0.44 0.87 0.23 0.00 0.00 176.91 179.03 2kmk h LYS 46 N 0.51 0.57 -0.13 0.39 1.57 0.10 3.17 116.57 122.75 2kmk h LYS 46 Ca 0.14 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2kmk h LYS 46 Cb 0.20 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2kmk h LYS 46 CO -0.01 0.38 0.09 0.87 -0.57 0.00 0.00 179.45 180.21 2kmk h LYS 47 N 0.59 0.13 0.22 3.15 1.57 0.24 0.62 116.57 123.09 2kmk h LYS 47 Ca 0.49 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.25 2kmk h LYS 47 Cb 0.74 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2kmk h LYS 47 CO -0.39 0.09 -0.10 1.25 -0.57 0.00 0.00 179.45 179.72 2kmk h HIS 48 N 0.13 -0.27 -1.54 -1.35 2.76 0.64 -2.34 115.15 113.19 2kmk h HIS 48 Ca 0.05 -0.01 0.45 0.00 -2.20 0.00 0.00 60.37 58.67 2kmk h HIS 48 Cb 0.05 0.09 -0.07 0.00 1.55 0.00 0.00 27.41 29.03 2kmk h HIS 48 CO -0.00 -0.17 1.09 1.79 -1.30 0.00 0.00 177.93 179.34 2kmk h THR 49 N -0.56 0.21 -0.12 6.26 1.35 0.85 1.78 112.91 122.67 2kmk h THR 49 Ca -0.03 -0.01 -0.15 0.00 -0.55 0.00 0.00 66.41 65.67 2kmk h THR 49 Cb 0.22 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 66.81 2kmk h THR 49 CO 0.05 0.01 -0.57 -0.26 -0.25 0.00 0.00 175.52 174.50 2kmk h PHE 50 N 0.03 0.45 -0.42 4.73 -1.00 0.35 -1.90 116.94 119.17 2kmk h PHE 50 Ca 0.76 -0.16 -0.08 0.00 2.81 0.00 0.00 57.97 61.29 2kmk h PHE 50 Cb 2.92 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 42.38 2kmk h PHE 50 CO -0.00 0.84 -0.08 -0.84 -1.61 0.00 0.00 178.31 176.62 2kmk h ILE 51 N 0.27 1.25 -0.08 -0.55 3.07 0.33 0.30 117.51 122.09 2kmk h ILE 51 Ca 0.00 -1.10 -0.11 0.00 1.55 0.00 0.00 64.86 65.20 2kmk h ILE 51 Cb 1.07 1.02 -0.01 0.00 -0.27 0.00 0.00 36.82 38.63 2kmk h ILE 51 CO 0.09 0.37 -0.45 0.45 -1.05 0.00 0.00 178.15 177.57 2kmk h HIS 52 N 0.67 0.23 0.00 0.16 3.86 -1.15 -2.77 115.15 116.16 2kmk h HIS 52 Ca 0.12 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2kmk h HIS 52 Cb 0.53 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.95 2kmk h HIS 52 CO 0.03 0.61 -0.20 1.79 0.86 0.00 0.00 177.93 181.02 2kmk h THR 53 N 0.16 0.00 0.00 2.45 1.35 -0.86 -3.46 112.91 112.54 2kmk h THR 53 Ca 0.01 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 2kmk h THR 53 Cb 0.86 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2kmk h THR 53 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 2kmk n GLY 54 N 1.21 0.53 3.64 5.82 0.00 0.46 -4.99 105.19 111.87 2kmk n GLY 54 Ca 0.04 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.23 4.05 -0.62 1.61 2.02 0.76 -4.95 118.70 120.35 2kmk s GLU 55 Ca 0.00 1.35 0.05 0.00 0.02 0.00 0.00 54.97 56.39 2kmk s GLU 55 Cb 0.00 -3.81 0.18 0.00 0.10 0.00 0.00 34.13 30.60 2kmk s GLU 55 CO 0.00 -0.94 0.49 1.63 0.02 0.00 0.00 175.26 176.46 2kmk n LYS 56 N 6.99 1.47 0.02 1.61 4.76 -1.26 -4.55 118.16 127.20 2kmk n LYS 56 Ca 0.14 -4.14 0.05 0.00 -2.87 0.00 0.00 58.31 51.48 2kmk n LYS 56 Cb 0.46 -2.09 0.21 0.00 -1.84 0.00 0.00 35.03 31.77 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 2.01 0.02 -3.73 1.97 -0.04 -1.25 -4.23 135.00 129.75 2kmk n PRO 57 Ca 0.24 0.40 -0.37 0.00 -0.04 0.00 0.00 63.50 63.73 2kmk n PRO 57 Cb 0.40 -1.56 -0.10 0.00 -0.04 0.00 0.00 33.50 32.19 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 -3.06 3.50 -0.18 0.54 3.76 -0.80 -5.00 115.29 114.04 2kmk s HIS 58 Ca 0.03 -2.51 -0.12 0.00 -0.15 0.00 0.00 55.06 52.31 2kmk s HIS 58 Cb 0.05 -3.24 -0.05 0.00 1.11 0.00 0.00 32.58 30.46 2kmk s HIS 58 CO 0.16 -0.92 0.22 0.15 -0.85 0.00 0.00 174.74 173.50 2kmk s LYS 59 N 0.62 4.22 -0.11 1.40 1.02 -1.26 0.68 119.74 126.31 2kmk s LYS 59 Ca 0.12 -0.06 -0.29 0.00 0.02 0.00 0.00 55.97 55.76 2kmk s LYS 59 Cb -0.22 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 2kmk s LYS 59 CO -0.04 0.24 1.42 0.00 -0.92 0.00 0.00 175.35 176.05 2kmk n GLN 61 N 6.67 1.70 -0.08 0.00 6.02 -1.26 -3.22 117.38 127.21 2kmk n GLN 61 Ca 0.15 -1.09 -0.07 0.00 -0.01 0.00 0.00 57.00 55.98 2kmk n GLN 61 Cb 0.44 -1.25 -0.02 0.00 1.02 0.00 0.00 30.24 30.43 2kmk n GLN 61 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2kmk n VAL 62 N 0.38 1.45 0.06 5.09 0.31 -1.26 -4.83 118.33 119.53 2kmk n VAL 62 Ca 0.11 0.18 0.03 0.00 -0.01 0.00 0.00 64.34 64.64 2kmk n VAL 62 Cb 0.26 -2.37 -0.04 0.00 -0.91 0.00 0.00 33.84 30.78 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 1.94 1.32 3.92 0.00 0.00 -1.20 -5.12 105.19 106.06 2kmk n GLY 64 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 2.77 0.10 1.61 2.20 -1.26 -4.85 119.74 120.32 2kmk s LYS 65 Ca 0.00 -0.12 0.06 0.00 -0.36 0.00 0.00 55.97 55.56 2kmk s LYS 65 Cb 0.00 -2.28 -0.03 0.00 -1.51 0.00 0.00 37.83 34.01 2kmk s LYS 65 CO 0.00 -0.78 -0.16 0.00 -0.36 0.00 0.00 175.35 174.05 2kmk s ALA 66 N -3.01 1.49 0.02 3.13 0.00 -1.26 -0.17 121.76 121.95 2kmk s ALA 66 Ca 0.55 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 51.36 2kmk s ALA 66 Cb -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2kmk s ALA 66 CO 0.44 0.20 -0.11 -0.06 0.00 0.00 0.00 175.76 176.23 2kmk s PHE 67 N -1.57 0.94 0.05 0.00 0.08 0.21 -4.95 117.98 112.74 2kmk s PHE 67 Ca 0.05 -0.29 -0.15 0.00 0.12 0.00 0.00 56.93 56.65 2kmk s PHE 67 Cb -0.08 -0.57 -0.31 0.00 -0.57 0.00 0.00 43.02 41.48 2kmk s PHE 67 CO 0.03 -0.01 1.07 1.03 -0.10 0.00 0.00 175.22 177.25 2kmk h SER 68 N 5.26 0.88 -3.26 1.36 0.87 -1.84 -2.13 113.55 114.69 2kmk h SER 68 Ca -0.34 -0.85 -0.68 0.00 -1.23 0.00 0.00 61.79 58.69 2kmk h SER 68 Cb 1.18 -0.28 -0.14 0.00 -0.44 0.00 0.00 62.40 62.72 2kmk h SER 68 CO 0.46 1.65 -0.61 -1.10 -0.53 0.00 0.00 176.83 176.70 2kmk s GLN 69 N -2.87 3.01 0.22 2.24 -0.21 -1.26 -4.74 119.66 116.05 2kmk s GLN 69 Ca -0.09 -0.40 -0.08 0.00 0.02 0.00 0.00 55.36 54.80 2kmk s GLN 69 Cb 0.05 -2.82 0.17 0.00 1.00 0.00 0.00 33.01 31.42 2kmk s GLN 69 CO 0.94 0.70 1.81 0.66 -2.12 0.00 0.00 175.29 177.28 2kmk h SER 70 N 5.02 1.08 -0.92 5.90 4.64 -1.97 -1.77 113.55 125.54 2kmk h SER 70 Ca -0.51 -0.13 0.21 0.00 -0.47 0.00 0.00 61.79 60.89 2kmk h SER 70 Cb 1.19 -0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 62.94 2kmk h SER 70 CO 0.55 0.91 0.61 0.28 -0.87 0.00 0.00 176.83 178.31 2kmk h SER 71 N 1.18 0.41 0.77 4.97 0.02 -1.98 1.59 113.55 120.52 2kmk h SER 71 Ca 0.29 0.05 -0.25 0.00 -0.84 0.00 0.00 61.79 61.03 2kmk h SER 71 Cb 0.11 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2kmk h SER 71 CO -0.04 0.16 -1.17 0.78 -1.14 0.00 0.00 176.83 175.42 2kmk h ASN 72 N 0.41 0.23 0.26 3.07 4.21 -1.75 -2.08 115.58 119.92 2kmk h ASN 72 Ca 0.48 -0.26 -0.19 0.00 1.21 0.00 0.00 56.30 57.55 2kmk h ASN 72 Cb 1.21 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 38.33 2kmk h ASN 72 CO -0.19 1.20 -0.75 0.25 -1.29 0.00 0.00 177.43 176.65 2kmk h LEU 73 N 0.04 0.50 0.37 1.61 5.85 -0.12 0.35 115.31 123.90 2kmk h LEU 73 Ca -0.09 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 2kmk h LEU 73 Cb 1.89 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.77 2kmk h LEU 73 CO 0.17 1.08 -0.21 0.40 -0.34 0.00 0.00 178.44 179.54 2kmk h ILE 74 N 0.28 0.56 0.67 4.05 2.04 0.22 1.56 117.51 126.89 2kmk h ILE 74 Ca -0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2kmk h ILE 74 Cb 1.33 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2kmk h ILE 74 CO 0.13 0.00 -0.41 0.74 0.00 0.00 0.00 178.15 178.61 2kmk h THR 75 N -0.55 0.00 -0.98 -0.27 2.02 -1.31 1.00 112.91 112.81 2kmk h THR 75 Ca -0.04 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.43 2kmk h THR 75 Cb 0.44 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.71 2kmk h THR 75 CO 0.05 0.00 0.52 -0.74 0.37 0.00 0.00 175.52 175.73 2kmk h HIS 76 N -1.02 0.86 -0.08 3.16 -0.00 -0.80 4.25 115.15 121.52 2kmk h HIS 76 Ca -0.09 0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 60.21 2kmk h HIS 76 Cb 0.81 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 2kmk h HIS 76 CO -0.07 -0.14 -0.45 0.66 -0.00 0.00 0.00 177.93 177.94 2kmk h SER 77 N 0.36 0.21 -0.90 3.26 4.64 0.32 -2.45 113.55 118.99 2kmk h SER 77 Ca 0.69 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.90 2kmk h SER 77 Cb 1.50 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.49 2kmk h SER 77 CO -0.59 0.63 0.50 0.03 -0.87 0.00 0.00 176.83 176.54 2kmk h ARG 78 N 0.16 1.24 -0.46 4.77 3.08 1.63 0.41 114.38 125.22 2kmk h ARG 78 Ca 0.01 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 59.94 2kmk h ARG 78 Cb 0.86 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 2kmk h ARG 78 CO 0.07 0.90 0.28 0.87 -1.07 0.00 0.00 179.97 181.02 2kmk h LYS 79 N 1.25 0.55 -0.69 0.04 1.57 -0.47 2.14 116.57 120.96 2kmk h LYS 79 Ca 0.32 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.07 2kmk h LYS 79 Cb 0.01 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 2kmk h LYS 79 CO -0.05 0.36 0.46 0.45 -0.57 0.00 0.00 179.45 180.09 2kmk h HIS 80 N 0.56 0.87 -0.40 -1.35 3.86 -0.93 -0.76 115.15 117.01 2kmk h HIS 80 Ca 0.18 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.34 2kmk h HIS 80 Cb -0.01 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.13 2kmk h HIS 80 CO -0.06 0.55 0.08 0.25 0.86 0.00 0.00 177.93 179.61 2kmk n THR 81 N -4.60 1.79 -0.46 2.45 -2.24 0.13 -5.11 114.28 106.24 2kmk n THR 81 Ca 0.06 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 2kmk n THR 81 Cb 0.02 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 2kmk n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11