#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 3.41 -0.27 7.33 0.08 -0.72 -4.93 117.98 122.88 2kmk s PHE 2 Ca 0.00 0.66 -0.01 0.00 0.12 0.00 0.00 56.93 57.70 2kmk s PHE 2 Cb 0.00 -2.50 0.04 0.00 -0.57 0.00 0.00 43.02 40.00 2kmk s PHE 2 CO 0.00 0.07 -0.05 0.16 -0.10 0.00 0.00 175.22 175.30 2kmk s ASP 3 N 0.87 4.55 0.11 1.36 1.47 -1.26 -0.22 116.67 123.54 2kmk s ASP 3 Ca 0.20 -1.14 -0.36 0.00 1.18 0.00 0.00 52.55 52.43 2kmk s ASP 3 Cb -0.14 -1.65 -0.16 0.00 -0.34 0.00 0.00 42.92 40.62 2kmk s ASP 3 CO 0.08 -0.19 1.28 0.00 0.68 0.00 0.00 175.17 177.01 2kmk n LYS 5 N 2.28 0.61 0.01 0.00 4.01 -1.26 -3.11 118.16 120.70 2kmk n LYS 5 Ca 0.17 0.15 -0.00 0.00 -0.51 0.00 0.00 58.31 58.12 2kmk n LYS 5 Cb 0.20 -1.80 -0.00 0.00 -0.51 0.00 0.00 35.03 32.92 2kmk n LYS 5 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 2kmk h ILE 6 N 0.00 0.00 0.00 -0.18 5.03 -1.98 -3.39 117.51 116.99 2kmk h ILE 6 Ca -0.07 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.62 2kmk h ILE 6 Cb 1.24 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.03 2kmk h ILE 6 CO 0.02 0.00 -1.14 0.00 -0.68 0.00 0.00 178.15 176.35 2kmk n GLY 8 N 1.23 0.54 3.45 0.00 0.00 -1.18 -5.11 105.19 104.13 2kmk n GLY 8 Ca -0.00 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 2kmk n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmk s LYS 9 N -1.69 1.62 0.10 1.61 1.02 -1.25 -4.89 119.74 116.26 2kmk s LYS 9 Ca 0.00 -1.76 0.07 0.00 0.02 0.00 0.00 55.97 54.30 2kmk s LYS 9 Cb 0.00 -1.60 -0.04 0.00 -0.52 0.00 0.00 37.83 35.67 2kmk s LYS 9 CO 0.00 0.26 -0.09 -1.12 -0.92 0.00 0.00 175.35 173.48 2kmk s SER 10 N -3.48 4.47 -0.09 2.83 0.01 -1.26 0.02 113.70 116.19 2kmk s SER 10 Ca 0.29 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2kmk s SER 10 Cb -0.03 -0.88 0.02 0.00 0.21 0.00 0.00 66.02 65.34 2kmk s SER 10 CO 0.13 0.18 -0.08 -0.36 0.41 0.00 0.00 173.24 173.53 2kmk s PHE 11 N -1.22 1.33 0.48 2.43 0.08 0.69 -4.97 117.98 116.79 2kmk s PHE 11 Ca 0.22 -0.59 0.39 0.00 0.12 0.00 0.00 56.93 57.07 2kmk s PHE 11 Cb -0.11 -1.10 2.02 0.00 -0.57 0.00 0.00 43.02 43.25 2kmk s PHE 11 CO 0.14 -0.41 2.23 0.87 -0.10 0.00 0.00 175.22 177.95 2kmk h LYS 12 N 7.81 0.00 -6.10 0.44 6.56 -1.96 -1.90 116.57 121.42 2kmk h LYS 12 Ca -0.30 0.00 -0.67 0.00 -1.06 0.00 0.00 60.65 58.62 2kmk h LYS 12 Cb 1.15 0.00 -0.31 0.00 -0.57 0.00 0.00 32.23 32.50 2kmk h LYS 12 CO 0.42 0.01 -0.88 1.03 -2.06 0.00 0.00 179.45 177.97 2kmk s ARG 13 N -4.03 2.22 0.37 3.15 1.81 -1.26 -4.77 118.95 116.44 2kmk s ARG 13 Ca -0.03 -0.86 0.05 0.00 -1.72 0.00 0.00 55.73 53.18 2kmk s ARG 13 Cb 0.12 -1.98 0.72 0.00 -0.45 0.00 0.00 34.95 33.36 2kmk s ARG 13 CO 0.47 0.42 1.99 0.77 -0.68 0.00 0.00 175.30 178.27 2kmk h SER 14 N 5.87 0.54 -0.43 0.23 0.02 -1.97 -1.96 113.55 115.84 2kmk h SER 14 Ca -0.36 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 2kmk h SER 14 Cb 1.16 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 2kmk h SER 14 CO 0.47 0.46 0.17 -1.28 -1.14 0.00 0.00 176.83 175.51 2kmk h SER 15 N 0.60 0.60 -0.16 3.07 0.87 -1.95 0.75 113.55 117.34 2kmk h SER 15 Ca 0.15 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 2kmk h SER 15 Cb 0.06 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2kmk h SER 15 CO -0.02 0.61 0.04 0.74 -0.53 0.00 0.00 176.83 177.67 2kmk h THR 16 N 0.56 1.13 -0.12 2.23 2.02 -1.82 0.15 112.91 117.06 2kmk h THR 16 Ca 0.14 -0.48 -0.18 0.00 0.77 0.00 0.00 66.41 66.66 2kmk h THR 16 Cb 0.20 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2kmk h THR 16 CO -0.01 0.17 -0.67 0.25 0.37 0.00 0.00 175.52 175.63 2kmk h LEU 17 N 0.34 0.57 0.86 2.58 5.85 -0.57 -2.01 115.31 122.94 2kmk h LEU 17 Ca 0.08 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2kmk h LEU 17 Cb 0.17 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2kmk h LEU 17 CO -0.00 1.08 -0.45 0.28 -0.34 0.00 0.00 178.44 179.01 2kmk h SER 18 N 0.35 -1.09 -0.85 1.25 0.02 0.32 1.15 113.55 114.70 2kmk h SER 18 Ca -0.02 0.05 0.16 0.00 -0.84 0.00 0.00 61.79 61.14 2kmk h SER 18 Cb 1.23 0.30 -0.06 0.00 0.14 0.00 0.00 62.40 64.01 2kmk h SER 18 CO 0.12 -0.74 0.55 0.74 -1.14 0.00 0.00 176.83 176.36 2kmk h THR 19 N -1.21 0.79 -0.14 -2.27 2.02 -1.23 0.32 112.91 111.19 2kmk h THR 19 Ca -0.12 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 2kmk h THR 19 Cb 0.94 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2kmk h THR 19 CO 0.17 0.10 -0.00 -0.74 0.37 0.00 0.00 175.52 175.41 2kmk h HIS 20 N 0.54 0.28 -0.16 3.16 6.17 -0.51 0.09 115.15 124.71 2kmk h HIS 20 Ca 0.43 -0.05 0.05 0.00 0.71 0.00 0.00 60.37 61.50 2kmk h HIS 20 Cb 0.86 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 30.71 2kmk h HIS 20 CO -0.00 0.49 0.11 -0.07 0.71 0.00 0.00 177.93 179.17 2kmk h LEU 21 N -0.01 0.00 -0.75 0.26 3.38 0.42 0.66 115.31 119.27 2kmk h LEU 21 Ca 0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2kmk h LEU 21 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2kmk h LEU 21 CO 0.01 0.00 -0.52 -0.07 0.09 0.00 0.00 178.44 177.95 2kmk h LEU 22 N 0.00 0.00 -1.37 1.67 3.38 0.31 -1.10 115.31 118.21 2kmk h LEU 22 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2kmk h LEU 22 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2kmk h LEU 22 CO -0.00 0.52 0.04 0.40 0.09 0.00 0.00 178.44 179.48 2kmk h ILE 23 N 0.00 1.17 0.14 1.22 2.04 0.23 0.66 117.51 122.97 2kmk h ILE 23 Ca -0.01 -0.63 -0.20 0.00 1.00 0.00 0.00 64.86 65.03 2kmk h ILE 23 Cb 1.06 0.90 0.02 0.00 -0.74 0.00 0.00 36.82 38.06 2kmk h ILE 23 CO 0.07 0.22 -0.85 0.45 0.00 0.00 0.00 178.15 178.03 2kmk h HIS 24 N 0.45 0.60 -0.07 1.37 3.86 -1.01 -3.24 115.15 117.11 2kmk h HIS 24 Ca 0.10 -0.42 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 2kmk h HIS 24 Cb 0.24 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.68 2kmk h HIS 24 CO 0.01 1.32 0.00 0.43 0.86 0.00 0.00 177.93 180.55 2kmk n SER 25 N -4.10 0.97 -4.02 2.45 7.64 -0.47 -4.92 113.62 111.17 2kmk n SER 25 Ca -0.14 -1.50 -0.36 0.00 1.01 0.00 0.00 58.87 57.88 2kmk n SER 25 Cb 0.83 -0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.98 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 -0.18 -2.27 0.06 6.43 8.00 0.23 -4.84 116.55 123.97 2kmk n ASP 26 Ca 0.17 -1.07 -0.13 0.00 0.71 0.00 0.00 54.79 54.48 2kmk n ASP 26 Cb 0.23 -1.29 -0.09 0.00 -0.02 0.00 0.00 41.12 39.96 2kmk n ASP 26 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2kmk h THR 27 N -1.53 1.05 -6.72 -3.53 2.02 -1.89 -3.47 112.91 98.83 2kmk h THR 27 Ca -0.57 -0.91 -0.54 0.00 0.77 0.00 0.00 66.41 65.16 2kmk h THR 27 Cb 1.15 1.60 0.01 0.00 -1.74 0.00 0.00 68.15 69.17 2kmk h THR 27 CO 0.46 0.21 -0.99 0.54 0.37 0.00 0.00 175.52 176.11 2kmk n ARG 28 N -4.97 -0.61 0.00 6.66 3.00 -1.26 -4.77 116.66 114.70 2kmk n ARG 28 Ca -0.09 0.25 0.00 0.00 -0.01 0.00 0.00 57.85 58.01 2kmk n ARG 28 Cb 0.25 -2.94 0.00 0.00 0.00 0.00 0.00 32.46 29.76 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 -4.57 0.62 -3.78 5.56 -0.04 -1.20 -4.43 135.00 127.16 2kmk n PRO 29 Ca -0.12 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.04 2kmk n PRO 29 Cb 0.58 -1.30 -0.13 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.02 2.38 0.14 0.54 2.02 -0.79 -5.01 117.35 115.61 2kmk s TYR 30 Ca 0.00 -2.69 -0.28 0.00 -0.37 0.00 0.00 57.07 53.74 2kmk s TYR 30 Cb 0.00 -2.16 -0.07 0.00 -0.40 0.00 0.00 41.96 39.33 2kmk s TYR 30 CO 0.00 -0.76 0.87 -1.25 -1.57 0.00 0.00 175.55 172.85 2kmk s PRO 31 N 0.05 4.66 0.20 -1.71 0.04 -1.26 0.05 135.00 137.03 2kmk s PRO 31 Ca 0.18 1.31 -0.32 0.00 0.04 0.00 0.00 61.00 62.22 2kmk s PRO 31 Cb -0.22 -3.33 -0.12 0.00 0.04 0.00 0.00 34.50 30.87 2kmk s PRO 31 CO -0.02 0.38 1.72 0.00 0.04 0.00 0.00 177.00 179.11 2kmk n GLN 33 N 4.08 0.08 0.00 0.00 7.27 -1.26 -3.03 117.38 124.51 2kmk n GLN 33 Ca 0.16 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.44 2kmk n GLN 33 Cb 0.36 -1.62 0.00 0.00 2.41 0.00 0.00 30.24 31.38 2kmk n GLN 33 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2kmk n TYR 34 N -1.77 0.00 1.13 3.69 4.02 -1.26 -4.82 117.16 118.15 2kmk n TYR 34 Ca 0.04 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.06 2kmk n TYR 34 Cb 0.26 0.00 0.35 0.00 -0.02 0.00 0.00 39.34 39.93 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 1.42 1.19 3.47 0.00 0.00 -1.17 -4.99 105.19 105.10 2kmk n GLY 36 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 0.58 -5.08 1.61 5.02 -1.26 -3.73 118.16 113.30 2kmk n LYS 37 Ca 0.00 0.22 -0.32 0.00 -2.02 0.00 0.00 58.31 56.19 2kmk n LYS 37 Cb 0.00 -1.63 -0.15 0.00 -0.02 0.00 0.00 35.03 33.22 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 -1.86 2.76 0.48 1.97 0.52 -1.26 0.17 118.95 121.72 2kmk s ARG 38 Ca 0.66 -0.81 0.03 0.00 -0.52 0.00 0.00 55.73 55.09 2kmk s ARG 38 Cb -0.51 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 2kmk s ARG 38 CO 0.56 0.38 0.03 -0.06 0.02 0.00 0.00 175.30 176.24 2kmk s PHE 39 N -0.14 2.09 -0.72 -0.53 0.40 0.11 -4.96 117.98 114.23 2kmk s PHE 39 Ca -0.03 -0.85 0.08 0.00 -0.60 0.00 0.00 56.93 55.53 2kmk s PHE 39 Cb -0.14 -1.69 0.20 0.00 0.51 0.00 0.00 43.02 41.90 2kmk s PHE 39 CO 0.04 0.26 1.12 -2.39 0.70 0.00 0.00 175.22 174.95 2kmk n HIS 40 N -1.20 0.29 -3.56 0.36 1.44 -1.26 -1.89 115.22 109.40 2kmk n HIS 40 Ca -0.13 -0.43 -0.21 0.00 -2.01 0.00 0.00 57.72 54.94 2kmk n HIS 40 Cb 0.67 -0.03 -0.15 0.00 0.12 0.00 0.00 29.99 30.60 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 -0.95 0.12 0.00 -1.40 -0.21 -1.26 -4.82 119.66 111.14 2kmk s GLN 41 Ca 0.16 0.16 0.00 0.00 0.02 0.00 0.00 55.36 55.69 2kmk s GLN 41 Cb 0.08 -1.28 0.00 0.00 1.00 0.00 0.00 33.01 32.81 2kmk s GLN 41 CO 0.11 -0.61 0.26 1.17 -2.12 0.00 0.00 175.29 174.10 2kmk n LYS 42 N 5.31 0.00 -0.54 2.91 4.81 -1.26 0.19 118.16 129.57 2kmk n LYS 42 Ca -0.06 0.26 0.41 0.00 -0.87 0.00 0.00 58.31 58.05 2kmk n LYS 42 Cb 0.49 -0.53 0.65 0.00 0.02 0.00 0.00 35.03 35.66 2kmk n LYS 42 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2kmk n SER 43 N -0.73 0.03 0.03 3.14 3.41 -1.26 0.25 113.62 118.49 2kmk n SER 43 Ca 0.00 0.87 -0.19 0.00 -0.26 0.00 0.00 58.87 59.28 2kmk n SER 43 Cb 0.00 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.42 2kmk n SER 43 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2kmk h ASP 44 N 0.00 0.84 -0.25 4.04 5.19 0.16 -1.30 116.42 125.10 2kmk h ASP 44 Ca 0.76 -0.73 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 2kmk h ASP 44 Cb 2.93 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 42.18 2kmk h ASP 44 CO -0.08 1.46 0.04 -0.03 -3.12 0.00 0.00 179.24 177.51 2kmk h MET 45 N 0.31 0.42 -0.98 3.56 1.85 0.44 -0.89 114.93 119.65 2kmk h MET 45 Ca -0.11 -0.12 0.22 0.00 -0.61 0.00 0.00 59.70 59.09 2kmk h MET 45 Cb 1.58 -0.05 -0.09 0.00 0.43 0.00 0.00 31.60 33.47 2kmk h MET 45 CO 0.18 0.55 0.63 0.87 -0.40 0.00 0.00 176.91 178.74 2kmk h LYS 46 N 0.23 0.49 -0.17 0.39 1.79 -0.92 3.67 116.57 122.05 2kmk h LYS 46 Ca 0.08 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.48 2kmk h LYS 46 Cb 0.34 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2kmk h LYS 46 CO 0.01 0.32 -0.07 0.87 -1.08 0.00 0.00 179.45 179.50 2kmk h LYS 47 N 0.50 0.25 0.10 3.15 1.57 0.02 0.47 116.57 122.63 2kmk h LYS 47 Ca 0.55 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2kmk h LYS 47 Cb 1.22 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2kmk h LYS 47 CO -0.28 0.34 -0.05 1.25 -0.57 0.00 0.00 179.45 180.14 2kmk h HIS 48 N 0.24 -0.13 -1.72 -1.35 2.76 0.75 -2.15 115.15 113.56 2kmk h HIS 48 Ca 0.05 -0.00 0.53 0.00 -2.20 0.00 0.00 60.37 58.75 2kmk h HIS 48 Cb 0.28 0.04 -0.10 0.00 1.55 0.00 0.00 27.41 29.18 2kmk h HIS 48 CO 0.00 -0.08 1.20 1.79 -1.30 0.00 0.00 177.93 179.54 2kmk h THR 49 N -0.30 0.04 -0.10 6.26 1.35 0.21 3.61 112.91 123.97 2kmk h THR 49 Ca -0.01 -0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.72 2kmk h THR 49 Cb 0.10 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.54 2kmk h THR 49 CO 0.02 0.00 -0.50 -0.26 -0.25 0.00 0.00 175.52 174.53 2kmk h PHE 50 N 0.01 0.32 0.00 4.73 -1.00 0.06 -1.17 116.94 119.90 2kmk h PHE 50 Ca 0.90 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 61.58 2kmk h PHE 50 Cb 3.34 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 42.84 2kmk h PHE 50 CO -0.00 0.71 0.00 -0.84 -1.61 0.00 0.00 178.31 176.57 2kmk h ILE 51 N 0.21 0.00 0.01 -0.55 3.07 0.75 -1.43 117.51 119.56 2kmk h ILE 51 Ca 0.01 -0.37 -0.30 0.00 1.55 0.00 0.00 64.86 65.74 2kmk h ILE 51 Cb 0.96 1.23 -0.05 0.00 -0.27 0.00 0.00 36.82 38.69 2kmk h ILE 51 CO 0.08 0.00 -1.77 1.41 -1.05 0.00 0.00 178.15 176.82 2kmk n HIS 52 N -2.57 0.95 0.90 0.16 8.25 -0.75 -4.18 115.22 117.98 2kmk n HIS 52 Ca 0.02 0.33 0.13 0.00 -0.26 0.00 0.00 57.72 57.94 2kmk n HIS 52 Cb 0.28 -1.17 0.38 0.00 1.12 0.00 0.00 29.99 30.60 2kmk n HIS 52 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2kmk n THR 53 N -3.05 0.11 -0.84 1.59 -2.24 -0.52 -4.92 114.28 104.41 2kmk n THR 53 Ca -0.19 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2kmk n THR 53 Cb 1.06 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 2kmk n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kmk n GLY 54 N 1.46 0.53 3.72 3.38 0.00 -0.62 -5.00 105.19 108.65 2kmk n GLY 54 Ca 0.06 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.88 4.45 -0.39 1.61 2.02 -0.71 -4.96 118.70 119.84 2kmk s GLU 55 Ca 0.00 1.75 0.09 0.00 0.02 0.00 0.00 54.97 56.83 2kmk s GLU 55 Cb 0.00 -3.34 0.28 0.00 0.10 0.00 0.00 34.13 31.16 2kmk s GLU 55 CO 0.00 -0.22 0.58 1.63 0.02 0.00 0.00 175.26 177.27 2kmk n LYS 56 N 3.78 0.83 0.00 1.61 4.76 -1.26 -4.31 118.16 123.57 2kmk n LYS 56 Ca 0.08 -3.30 0.02 0.00 -2.87 0.00 0.00 58.31 52.24 2kmk n LYS 56 Cb 0.47 -1.36 0.09 0.00 -1.84 0.00 0.00 35.03 32.38 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 1.10 0.03 -3.51 1.97 -0.04 -1.23 -4.20 135.00 129.13 2kmk n PRO 57 Ca 0.22 0.34 -0.42 0.00 -0.04 0.00 0.00 63.50 63.60 2kmk n PRO 57 Cb 0.56 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.77 3.54 -0.22 0.54 3.76 -0.79 -4.98 115.29 114.37 2kmk s HIS 58 Ca 0.03 -2.16 -0.16 0.00 -0.15 0.00 0.00 55.06 52.62 2kmk s HIS 58 Cb 0.03 -3.54 -0.04 0.00 1.11 0.00 0.00 32.58 30.14 2kmk s HIS 58 CO 0.06 -0.94 0.41 0.15 -0.85 0.00 0.00 174.74 173.57 2kmk s LYS 59 N 0.46 4.13 -0.26 1.40 1.02 -1.26 -0.18 119.74 125.05 2kmk s LYS 59 Ca 0.14 0.19 -0.25 0.00 0.02 0.00 0.00 55.97 56.06 2kmk s LYS 59 Cb -0.18 -3.57 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 2kmk s LYS 59 CO -0.04 -0.12 0.88 0.00 -0.92 0.00 0.00 175.35 175.15 2kmk h GLN 61 N 7.77 0.00 0.32 0.00 1.08 -1.96 -0.58 115.11 121.74 2kmk h GLN 61 Ca -0.22 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.96 2kmk h GLN 61 Cb 1.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 2kmk h GLN 61 CO 0.91 0.00 -0.15 0.28 -0.95 0.00 0.00 178.83 178.91 2kmk h VAL 62 N 0.00 0.56 -0.01 -0.54 2.07 -1.95 -3.36 116.25 113.01 2kmk h VAL 62 Ca 0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2kmk h VAL 62 Cb 0.60 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2kmk h VAL 62 CO 0.00 0.12 -0.00 0.00 0.02 0.00 0.00 177.57 177.70 2kmk n GLY 64 N 0.54 0.27 3.96 0.00 0.00 -0.23 -5.05 105.19 104.67 2kmk n GLY 64 Ca 0.05 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.41 2.80 0.02 1.61 2.20 -1.18 -4.88 119.74 115.90 2kmk s LYS 65 Ca 0.02 -1.27 0.00 0.00 -0.36 0.00 0.00 55.97 54.36 2kmk s LYS 65 Cb -0.01 -2.66 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 2kmk s LYS 65 CO 0.03 -0.16 -0.04 0.00 -0.36 0.00 0.00 175.35 174.82 2kmk s ALA 66 N -2.34 0.21 0.07 3.13 0.00 -1.26 -0.29 121.76 121.28 2kmk s ALA 66 Ca 0.50 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.92 2kmk s ALA 66 Cb -0.08 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 2kmk s ALA 66 CO 0.31 -0.12 -0.10 -0.06 0.00 0.00 0.00 175.76 175.79 2kmk s PHE 67 N -1.33 0.96 0.00 0.00 0.08 0.74 -4.98 117.98 113.45 2kmk s PHE 67 Ca -0.13 -0.53 0.12 0.00 0.12 0.00 0.00 56.93 56.50 2kmk s PHE 67 Cb -0.09 -0.54 0.01 0.00 -0.57 0.00 0.00 43.02 41.82 2kmk s PHE 67 CO -0.01 -0.02 1.41 0.66 -0.10 0.00 0.00 175.22 177.16 2kmk h SER 68 N 4.16 0.00 -4.28 1.36 4.64 -1.87 -2.09 113.55 115.47 2kmk h SER 68 Ca -0.38 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.25 2kmk h SER 68 Cb 1.19 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.02 2kmk h SER 68 CO 0.44 0.70 -0.82 -1.10 -0.87 0.00 0.00 176.83 175.18 2kmk s GLN 69 N -2.93 2.32 0.12 4.77 -0.21 -1.26 -4.76 119.66 117.71 2kmk s GLN 69 Ca 0.02 -0.80 -0.17 0.00 0.02 0.00 0.00 55.36 54.43 2kmk s GLN 69 Cb 0.09 -2.23 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 2kmk s GLN 69 CO 0.77 0.59 1.63 1.03 -2.12 0.00 0.00 175.29 177.20 2kmk h SER 70 N 5.38 0.52 -1.01 5.90 0.87 -1.97 -1.58 113.55 121.66 2kmk h SER 70 Ca -0.45 -0.21 0.25 0.00 -1.23 0.00 0.00 61.79 60.15 2kmk h SER 70 Cb 1.14 -0.14 -0.09 0.00 -0.44 0.00 0.00 62.40 62.88 2kmk h SER 70 CO 0.49 0.59 0.66 -1.28 -0.53 0.00 0.00 176.83 176.76 2kmk h SER 71 N 0.42 0.43 0.65 6.23 0.87 -1.98 1.90 113.55 122.07 2kmk h SER 71 Ca 0.11 0.07 -0.17 0.00 -1.23 0.00 0.00 61.79 60.57 2kmk h SER 71 Cb 0.27 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2kmk h SER 71 CO -0.00 0.11 -0.77 0.78 -0.53 0.00 0.00 176.83 176.41 2kmk h ASN 72 N 0.39 0.11 0.17 6.23 4.21 -1.76 -1.61 115.58 123.32 2kmk h ASN 72 Ca 0.56 -0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.98 2kmk h ASN 72 Cb 1.44 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.61 2kmk h ASN 72 CO -0.26 0.84 -0.08 0.25 -1.29 0.00 0.00 177.43 176.89 2kmk h LEU 73 N 0.06 -0.19 -0.70 1.61 5.85 0.32 0.91 115.31 123.17 2kmk h LEU 73 Ca -0.02 -0.34 0.14 0.00 0.84 0.00 0.00 57.88 58.49 2kmk h LEU 73 Cb 1.36 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 42.30 2kmk h LEU 73 CO 0.11 0.36 -0.23 0.40 -0.34 0.00 0.00 178.44 178.74 2kmk h ILE 74 N -0.86 0.24 -0.36 4.05 2.04 0.18 1.21 117.51 124.01 2kmk h ILE 74 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 2kmk h ILE 74 Cb 0.52 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2kmk h ILE 74 CO 0.04 0.00 0.17 0.74 0.00 0.00 0.00 178.15 179.10 2kmk h THR 75 N -0.04 1.17 -0.64 -0.27 2.02 -1.27 0.43 112.91 114.30 2kmk h THR 75 Ca 0.32 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 2kmk h THR 75 Cb 0.54 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 2kmk h THR 75 CO -0.74 0.18 0.39 -0.74 0.37 0.00 0.00 175.52 174.97 2kmk h HIS 76 N 0.44 0.84 -0.11 3.16 -0.00 0.20 -0.72 115.15 118.96 2kmk h HIS 76 Ca 0.12 -0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.38 2kmk h HIS 76 Cb 0.12 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 2kmk h HIS 76 CO -0.01 0.57 -0.43 1.03 -0.00 0.00 0.00 177.93 179.08 2kmk h SER 77 N 0.86 0.26 -0.04 3.26 0.87 0.16 -1.46 113.55 117.46 2kmk h SER 77 Ca 0.23 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2kmk h SER 77 Cb -0.03 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2kmk h SER 77 CO -0.04 0.67 -0.05 0.03 -0.53 0.00 0.00 176.83 176.91 2kmk h ARG 78 N 0.20 0.23 -0.40 2.24 3.08 0.88 0.25 114.38 120.86 2kmk h ARG 78 Ca 0.02 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 2kmk h ARG 78 Cb 0.85 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2kmk h ARG 78 CO 0.07 0.30 0.01 0.87 -1.07 0.00 0.00 179.97 180.15 2kmk h LYS 79 N 0.23 0.71 -0.21 0.04 6.56 -0.10 1.14 116.57 124.94 2kmk h LYS 79 Ca 0.05 -0.22 -0.08 0.00 -1.06 0.00 0.00 60.65 59.35 2kmk h LYS 79 Cb 0.24 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 2kmk h LYS 79 CO 0.01 0.79 -0.20 0.45 -2.06 0.00 0.00 179.45 178.44 2kmk h HIS 80 N 0.54 0.41 -0.54 -1.35 3.86 -0.75 -2.89 115.15 114.42 2kmk h HIS 80 Ca 0.12 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2kmk h HIS 80 Cb 0.46 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2kmk h HIS 80 CO 0.04 0.56 0.00 0.25 0.86 0.00 0.00 177.93 179.63 2kmk n THR 81 N -4.18 2.12 0.00 2.45 -2.24 0.73 -5.11 114.28 108.05 2kmk n THR 81 Ca -0.00 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.41 2kmk n THR 81 Cb 0.35 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 2kmk n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11