#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 2.74 -0.03 7.33 0.08 -0.39 -4.95 117.98 122.78 2kmk s PHE 2 Ca 0.00 -1.21 0.01 0.00 0.12 0.00 0.00 56.93 55.85 2kmk s PHE 2 Cb 0.00 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 2kmk s PHE 2 CO 0.00 -0.56 -0.02 0.34 -0.10 0.00 0.00 175.22 174.88 2kmk s ASP 3 N 0.88 4.98 0.25 1.36 2.15 -1.26 0.34 116.67 125.36 2kmk s ASP 3 Ca -0.05 -0.00 -0.01 0.00 0.43 0.00 0.00 52.55 52.91 2kmk s ASP 3 Cb -0.15 -1.29 0.31 0.00 -0.30 0.00 0.00 42.92 41.49 2kmk s ASP 3 CO -0.02 0.31 1.70 0.00 -0.17 0.00 0.00 175.17 177.00 2kmk n LYS 5 N -4.15 0.00 0.09 0.00 5.02 -1.26 -4.78 118.16 113.08 2kmk n LYS 5 Ca 0.01 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.26 2kmk n LYS 5 Cb 0.38 -1.19 -0.02 0.00 -0.02 0.00 0.00 35.03 34.18 2kmk n LYS 5 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2kmk h ILE 6 N 0.00 0.00 0.00 -0.18 1.08 -1.94 -3.37 117.51 113.10 2kmk h ILE 6 Ca 0.00 -0.12 -0.15 0.00 -0.39 0.00 0.00 64.86 64.20 2kmk h ILE 6 Cb 0.00 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.72 2kmk h ILE 6 CO 0.00 0.00 -1.68 0.00 -0.69 0.00 0.00 178.15 175.78 2kmk n GLY 8 N 1.40 1.15 3.55 0.00 0.00 -1.26 -5.14 105.19 104.90 2kmk n GLY 8 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.08 1.99 0.32 1.61 2.20 -1.26 -4.96 119.74 119.57 2kmk s LYS 9 Ca 0.00 -1.30 0.09 0.00 -0.36 0.00 0.00 55.97 54.40 2kmk s LYS 9 Cb 0.00 -2.12 -0.04 0.00 -1.51 0.00 0.00 37.83 34.16 2kmk s LYS 9 CO 0.00 0.43 0.10 -1.12 -0.36 0.00 0.00 175.35 174.40 2kmk s SER 10 N -2.81 4.64 -0.05 1.43 0.01 -1.26 -1.90 113.70 113.77 2kmk s SER 10 Ca 0.24 -0.74 -0.02 0.00 1.31 0.00 0.00 55.95 56.74 2kmk s SER 10 Cb -0.09 -0.77 0.04 0.00 0.21 0.00 0.00 66.02 65.41 2kmk s SER 10 CO 0.14 -0.21 0.09 -0.36 0.41 0.00 0.00 173.24 173.31 2kmk s PHE 11 N -2.40 -0.05 0.34 2.43 0.40 0.15 -4.95 117.98 113.90 2kmk s PHE 11 Ca 0.36 0.35 0.11 0.00 -0.60 0.00 0.00 56.93 57.14 2kmk s PHE 11 Cb -0.03 -0.29 0.59 0.00 0.51 0.00 0.00 43.02 43.80 2kmk s PHE 11 CO 0.22 -0.18 1.76 0.87 0.70 0.00 0.00 175.22 178.59 2kmk h LYS 12 N 7.88 0.06 -5.66 0.44 1.57 -1.97 -1.01 116.57 117.87 2kmk h LYS 12 Ca -0.28 -0.03 -0.68 0.00 -1.87 0.00 0.00 60.65 57.80 2kmk h LYS 12 Cb 1.12 -0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.13 2kmk h LYS 12 CO 0.29 0.47 -0.84 1.03 -0.57 0.00 0.00 179.45 179.83 2kmk s ARG 13 N -4.08 2.91 0.51 3.15 1.81 -1.26 -4.79 118.95 117.21 2kmk s ARG 13 Ca -0.03 -0.82 0.16 0.00 -1.72 0.00 0.00 55.73 53.32 2kmk s ARG 13 Cb 0.14 -2.34 1.25 0.00 -0.45 0.00 0.00 34.95 33.54 2kmk s ARG 13 CO 0.74 0.30 2.12 1.03 -0.68 0.00 0.00 175.30 178.81 2kmk h SER 14 N 6.35 0.05 -0.20 0.23 0.87 -1.96 -2.12 113.55 116.77 2kmk h SER 14 Ca -0.28 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2kmk h SER 14 Cb 1.20 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 2kmk h SER 14 CO 0.49 0.03 0.08 -1.28 -0.53 0.00 0.00 176.83 175.62 2kmk h SER 15 N 0.05 0.27 0.02 6.23 0.87 -1.97 0.96 113.55 119.99 2kmk h SER 15 Ca 0.05 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 2kmk h SER 15 Cb 0.14 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2kmk h SER 15 CO -0.00 0.37 -0.05 0.74 -0.53 0.00 0.00 176.83 177.36 2kmk h THR 16 N 0.16 1.08 -0.06 2.23 2.02 -1.83 0.11 112.91 116.62 2kmk h THR 16 Ca 0.07 -0.34 -0.20 0.00 0.77 0.00 0.00 66.41 66.71 2kmk h THR 16 Cb 0.18 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2kmk h THR 16 CO -0.00 0.10 -0.80 0.25 0.37 0.00 0.00 175.52 175.44 2kmk h LEU 17 N 0.09 0.55 0.57 2.58 5.85 -0.66 -1.75 115.31 122.54 2kmk h LEU 17 Ca 0.02 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 2kmk h LEU 17 Cb 0.15 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2kmk h LEU 17 CO 0.01 1.15 -0.46 -1.28 -0.34 0.00 0.00 178.44 177.52 2kmk h SER 18 N 0.29 -1.21 -0.93 1.25 0.87 0.34 0.84 113.55 115.00 2kmk h SER 18 Ca -0.05 0.09 0.10 0.00 -1.23 0.00 0.00 61.79 60.70 2kmk h SER 18 Cb 1.40 0.38 -0.07 0.00 -0.44 0.00 0.00 62.40 63.67 2kmk h SER 18 CO 0.14 -0.65 0.60 0.74 -0.53 0.00 0.00 176.83 177.13 2kmk h THR 19 N -1.00 0.97 -0.33 2.23 2.02 -1.26 0.35 112.91 115.89 2kmk h THR 19 Ca -0.07 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 2kmk h THR 19 Cb 0.85 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2kmk h THR 19 CO -0.00 0.17 -0.03 -0.74 0.37 0.00 0.00 175.52 175.29 2kmk h HIS 20 N 0.95 0.66 0.00 3.16 6.17 -0.57 -0.12 115.15 125.40 2kmk h HIS 20 Ca 0.44 -0.13 -0.01 0.00 0.71 0.00 0.00 60.37 61.38 2kmk h HIS 20 Cb 0.39 -0.17 -0.00 0.00 2.52 0.00 0.00 27.41 30.15 2kmk h HIS 20 CO -0.00 0.74 -0.07 -0.07 0.71 0.00 0.00 177.93 179.24 2kmk h LEU 21 N 0.40 0.00 -1.39 0.26 3.38 0.22 0.81 115.31 118.99 2kmk h LEU 21 Ca 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2kmk h LEU 21 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2kmk h LEU 21 CO 0.02 0.07 -0.30 -0.07 0.09 0.00 0.00 178.44 178.25 2kmk h LEU 22 N 0.00 0.00 -0.94 1.67 3.38 0.99 0.92 115.31 121.32 2kmk h LEU 22 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2kmk h LEU 22 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2kmk h LEU 22 CO 0.01 0.30 -0.03 0.40 0.09 0.00 0.00 178.44 179.21 2kmk h ILE 23 N 0.00 1.24 0.00 1.22 2.04 0.24 0.93 117.51 123.18 2kmk h ILE 23 Ca -0.00 -1.01 -0.20 0.00 1.00 0.00 0.00 64.86 64.64 2kmk h ILE 23 Cb 0.54 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2kmk h ILE 23 CO 0.04 0.35 -1.05 0.45 0.00 0.00 0.00 178.15 177.94 2kmk h HIS 24 N 0.69 0.00 -0.02 1.37 3.86 -0.87 -3.19 115.15 116.99 2kmk h HIS 24 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2kmk h HIS 24 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 2kmk h HIS 24 CO 0.02 0.90 -0.11 -1.13 0.86 0.00 0.00 177.93 178.47 2kmk n SER 25 N -3.26 1.64 -3.77 2.45 3.41 0.21 -4.96 113.62 109.34 2kmk n SER 25 Ca -0.03 -1.40 -0.29 0.00 -0.26 0.00 0.00 58.87 56.89 2kmk n SER 25 Cb 0.92 0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.96 2kmk n SER 25 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kmk n ASP 26 N 0.10 -5.09 -4.39 4.04 8.00 0.32 -4.92 116.55 114.60 2kmk n ASP 26 Ca 0.15 -0.97 -0.40 0.00 0.71 0.00 0.00 54.79 54.29 2kmk n ASP 26 Cb 0.40 -2.41 -0.11 0.00 -0.02 0.00 0.00 41.12 38.97 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 -3.23 4.54 -0.60 -3.53 2.01 -0.98 -5.00 115.64 108.85 2kmk s THR 27 Ca 0.23 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.58 2kmk s THR 27 Cb -0.11 -3.46 0.23 0.00 0.01 0.00 0.00 72.50 69.17 2kmk s THR 27 CO 0.89 -0.12 0.64 0.54 -0.69 0.00 0.00 174.62 175.88 2kmk n ARG 28 N 4.98 1.98 0.00 4.92 1.74 -1.26 -4.50 116.66 124.53 2kmk n ARG 28 Ca -0.13 -4.33 0.00 0.00 -0.77 0.00 0.00 57.85 52.62 2kmk n ARG 28 Cb 0.47 -2.07 0.02 0.00 -1.02 0.00 0.00 32.46 29.85 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 1.27 0.72 -3.75 5.56 -0.04 -1.20 -4.34 135.00 133.22 2kmk n PRO 29 Ca 0.26 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.39 2kmk n PRO 29 Cb 0.42 -1.01 -0.09 0.00 -0.04 0.00 0.00 33.50 32.78 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 3.71 0.22 0.54 2.02 -0.85 -4.99 117.35 116.00 2kmk s TYR 30 Ca 0.01 -3.12 -0.30 0.00 -0.37 0.00 0.00 57.07 53.29 2kmk s TYR 30 Cb 0.00 -3.03 -0.08 0.00 -0.40 0.00 0.00 41.96 38.44 2kmk s TYR 30 CO 0.01 -0.68 1.07 -1.25 -1.57 0.00 0.00 175.55 173.13 2kmk s PRO 31 N -1.22 4.66 0.30 -1.71 0.04 -1.26 0.28 135.00 136.08 2kmk s PRO 31 Ca 0.25 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 2kmk s PRO 31 Cb -0.08 -3.25 -0.10 0.00 0.04 0.00 0.00 34.50 31.10 2kmk s PRO 31 CO -0.12 0.20 1.42 0.00 0.04 0.00 0.00 177.00 178.53 2kmk h GLN 33 N 4.22 0.00 0.00 0.00 -0.00 -1.91 -3.15 115.11 114.27 2kmk h GLN 33 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 2kmk h GLN 33 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.70 2kmk h GLN 33 CO 0.72 0.00 0.00 0.66 -0.00 0.00 0.00 178.83 180.21 2kmk n TYR 34 N -2.31 0.00 1.67 0.06 4.02 -1.26 -4.76 117.16 114.58 2kmk n TYR 34 Ca 0.05 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.06 2kmk n TYR 34 Cb 0.40 0.00 0.60 0.00 -0.02 0.00 0.00 39.34 40.32 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 1.03 2.91 3.70 0.00 0.00 -1.19 -4.97 105.19 106.67 2kmk n GLY 36 Ca 0.18 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.63 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 1.07 -3.75 1.61 5.02 -1.26 -3.32 118.16 115.54 2kmk n LYS 37 Ca 0.00 0.39 -0.36 0.00 -2.02 0.00 0.00 58.31 56.32 2kmk n LYS 37 Cb 0.00 -2.08 -0.07 0.00 -0.02 0.00 0.00 35.03 32.86 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 3.72 3.82 0.47 1.97 0.52 -1.26 0.44 118.95 128.63 2kmk s ARG 38 Ca 1.00 -0.07 0.05 0.00 -0.52 0.00 0.00 55.73 56.19 2kmk s ARG 38 Cb -1.09 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 31.06 2kmk s ARG 38 CO 0.66 0.55 0.17 -0.06 0.02 0.00 0.00 175.30 176.64 2kmk s PHE 39 N -0.42 2.15 -0.04 -0.53 0.40 0.14 -4.93 117.98 114.76 2kmk s PHE 39 Ca 0.14 -0.76 0.14 0.00 -0.60 0.00 0.00 56.93 55.85 2kmk s PHE 39 Cb -0.12 -1.83 -0.22 0.00 0.51 0.00 0.00 43.02 41.35 2kmk s PHE 39 CO 0.03 0.06 0.32 -2.39 0.70 0.00 0.00 175.22 173.94 2kmk n HIS 40 N -1.35 0.00 -3.90 0.36 1.44 -1.26 -2.01 115.22 108.50 2kmk n HIS 40 Ca -0.07 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.29 2kmk n HIS 40 Cb 0.65 -0.31 -0.14 0.00 0.12 0.00 0.00 29.99 30.31 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 -2.96 2.48 0.14 -1.40 -0.21 -1.26 -4.79 119.66 111.66 2kmk s GLN 41 Ca -0.05 -1.23 -0.17 0.00 0.02 0.00 0.00 55.36 53.93 2kmk s GLN 41 Cb 0.09 -3.18 0.06 0.00 1.00 0.00 0.00 33.01 30.98 2kmk s GLN 41 CO 0.59 -0.60 1.11 1.17 -2.12 0.00 0.00 175.29 175.44 2kmk n LYS 42 N 4.64 -0.24 -0.13 2.91 4.81 -1.26 0.18 118.16 129.07 2kmk n LYS 42 Ca -0.13 1.09 0.14 0.00 -0.87 0.00 0.00 58.31 58.54 2kmk n LYS 42 Cb 0.44 -1.61 0.51 0.00 0.02 0.00 0.00 35.03 34.39 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 0.36 -0.08 3.14 0.02 -1.99 0.27 113.55 115.27 2kmk h SER 43 Ca 0.18 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.98 2kmk h SER 43 Cb 0.36 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 2kmk h SER 43 CO -0.69 0.20 -0.54 -2.24 -1.14 0.00 0.00 176.83 172.41 2kmk h ASP 44 N 0.39 0.74 -0.13 3.07 3.04 0.15 -1.83 116.42 121.85 2kmk h ASP 44 Ca 0.33 -0.40 -0.03 0.00 -3.24 0.00 0.00 57.03 53.69 2kmk h ASP 44 Cb 0.75 -0.21 -0.00 0.00 -1.04 0.00 0.00 39.33 38.82 2kmk h ASP 44 CO -0.10 1.14 -0.04 -0.03 -2.04 0.00 0.00 179.24 178.17 2kmk h MET 45 N 0.52 0.27 -0.94 4.15 4.05 -0.04 -1.74 114.93 121.18 2kmk h MET 45 Ca 0.01 -0.11 0.20 0.00 -0.28 0.00 0.00 59.70 59.52 2kmk h MET 45 Cb 1.11 -0.01 -0.11 0.00 -0.80 0.00 0.00 31.60 31.78 2kmk h MET 45 CO 0.11 0.57 0.52 0.87 0.23 0.00 0.00 176.91 179.21 2kmk h LYS 46 N -0.05 0.60 -0.48 0.39 1.57 -0.48 2.80 116.57 120.92 2kmk h LYS 46 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2kmk h LYS 46 Cb 0.48 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2kmk h LYS 46 CO 0.02 0.39 0.27 0.87 -0.57 0.00 0.00 179.45 180.43 2kmk h LYS 47 N 0.61 0.66 0.15 3.15 1.57 -0.95 0.21 116.57 121.97 2kmk h LYS 47 Ca 0.56 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.27 2kmk h LYS 47 Cb 0.94 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2kmk h LYS 47 CO -0.43 0.48 -0.07 1.25 -0.57 0.00 0.00 179.45 180.11 2kmk h HIS 48 N 0.67 -0.19 -1.65 -1.35 2.76 0.55 -2.26 115.15 113.68 2kmk h HIS 48 Ca 0.17 -0.00 0.51 0.00 -2.20 0.00 0.00 60.37 58.85 2kmk h HIS 48 Cb 0.01 0.06 -0.11 0.00 1.55 0.00 0.00 27.41 28.92 2kmk h HIS 48 CO 0.00 -0.12 1.13 1.79 -1.30 0.00 0.00 177.93 179.44 2kmk h THR 49 N -0.29 0.04 -0.18 6.26 1.35 0.58 1.92 112.91 122.58 2kmk h THR 49 Ca -0.02 -0.01 -0.15 0.00 -0.55 0.00 0.00 66.41 65.68 2kmk h THR 49 Cb 0.16 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.59 2kmk h THR 49 CO 0.03 0.00 -0.53 -0.26 -0.25 0.00 0.00 175.52 174.52 2kmk h PHE 50 N 0.02 0.65 0.00 4.73 -1.00 -0.40 -1.04 116.94 119.90 2kmk h PHE 50 Ca 0.89 -0.23 -0.03 0.00 2.81 0.00 0.00 57.97 61.41 2kmk h PHE 50 Cb 3.22 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 42.65 2kmk h PHE 50 CO -0.00 0.94 -0.16 -0.84 -1.61 0.00 0.00 178.31 176.64 2kmk h ILE 51 N 0.41 1.03 0.00 -0.55 3.07 0.36 0.52 117.51 122.36 2kmk h ILE 51 Ca 0.01 -0.56 -0.21 0.00 1.55 0.00 0.00 64.86 65.66 2kmk h ILE 51 Cb 1.06 1.31 -0.03 0.00 -0.27 0.00 0.00 36.82 38.89 2kmk h ILE 51 CO 0.10 0.16 -1.01 0.45 -1.05 0.00 0.00 178.15 176.79 2kmk h HIS 52 N 0.00 0.00 -0.11 0.16 3.86 -1.06 -3.30 115.15 114.70 2kmk h HIS 52 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kmk h HIS 52 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2kmk h HIS 52 CO 0.00 0.94 0.00 0.25 0.86 0.00 0.00 177.93 179.98 2kmk n THR 53 N -3.31 0.13 -3.38 2.45 -2.24 -0.44 -4.94 114.28 102.55 2kmk n THR 53 Ca -0.01 -0.35 -0.17 0.00 -2.27 0.00 0.00 64.05 61.25 2kmk n THR 53 Cb 0.93 0.55 0.07 0.00 -2.10 0.00 0.00 70.33 69.78 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 1.19 -0.83 3.35 3.38 0.00 0.04 -4.97 105.19 107.35 2kmk n GLY 54 Ca 0.17 0.39 -0.33 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.94 3.37 -0.40 1.61 2.02 -0.43 -5.02 118.70 114.90 2kmk s GLU 55 Ca 0.28 -0.68 0.09 0.00 0.02 0.00 0.00 54.97 54.67 2kmk s GLU 55 Cb -0.05 -2.67 0.27 0.00 0.10 0.00 0.00 34.13 31.79 2kmk s GLU 55 CO 0.75 0.16 0.64 1.63 0.02 0.00 0.00 175.26 178.46 2kmk n LYS 56 N 3.69 0.79 0.06 1.61 5.02 -1.26 -4.20 118.16 123.87 2kmk n LYS 56 Ca -0.18 -3.02 0.04 0.00 -2.02 0.00 0.00 58.31 53.13 2kmk n LYS 56 Cb 0.52 -1.35 0.20 0.00 -0.02 0.00 0.00 35.03 34.39 2kmk n LYS 56 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2kmk n PRO 57 N 1.13 0.05 -3.37 1.97 -0.04 -1.25 -3.97 135.00 129.53 2kmk n PRO 57 Ca 0.20 0.54 -0.46 0.00 -0.04 0.00 0.00 63.50 63.74 2kmk n PRO 57 Cb 0.58 -1.68 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 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 -3.17 3.71 -0.18 0.54 3.76 -0.71 -5.00 115.29 114.24 2kmk s HIS 58 Ca -0.01 -2.03 -0.18 0.00 -0.15 0.00 0.00 55.06 52.69 2kmk s HIS 58 Cb 0.02 -3.76 -0.04 0.00 1.11 0.00 0.00 32.58 29.92 2kmk s HIS 58 CO 0.07 -0.98 0.50 0.15 -0.85 0.00 0.00 174.74 173.63 2kmk s LYS 59 N 0.21 4.23 0.00 1.40 1.02 -1.25 0.37 119.74 125.72 2kmk s LYS 59 Ca 0.17 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.56 2kmk s LYS 59 Cb -0.12 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 2kmk s LYS 59 CO -0.08 -0.06 0.00 0.00 -0.92 0.00 0.00 175.35 174.29 2kmk n GLN 61 N 0.00 0.00 -0.01 0.00 1.13 -1.26 -4.94 117.38 112.30 2kmk n GLN 61 Ca 0.00 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.84 2kmk n GLN 61 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.21 2kmk n GLN 61 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2kmk h VAL 62 N 0.00 0.87 0.00 5.09 2.07 -1.93 -3.40 116.25 118.95 2kmk h VAL 62 Ca 0.00 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.17 2kmk h VAL 62 Cb 0.00 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2kmk h VAL 62 CO 0.00 0.72 0.00 0.00 0.02 0.00 0.00 177.57 178.31 2kmk n GLY 64 N 0.52 0.65 3.92 0.00 0.00 -1.26 -5.07 105.19 103.95 2kmk n GLY 64 Ca 0.00 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.40 3.32 0.08 1.61 2.20 -1.26 -4.91 119.74 117.38 2kmk s LYS 65 Ca 0.00 -0.73 0.04 0.00 -0.36 0.00 0.00 55.97 54.92 2kmk s LYS 65 Cb 0.00 -2.86 -0.03 0.00 -1.51 0.00 0.00 37.83 33.43 2kmk s LYS 65 CO 0.00 0.47 -0.12 0.00 -0.36 0.00 0.00 175.35 175.34 2kmk s ALA 66 N -1.87 1.11 -0.01 3.13 0.00 -1.26 0.08 121.76 122.95 2kmk s ALA 66 Ca 0.34 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2kmk s ALA 66 Cb -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 2kmk s ALA 66 CO 0.28 0.07 -0.07 -0.06 0.00 0.00 0.00 175.76 175.98 2kmk s PHE 67 N -1.75 0.62 0.28 0.00 0.40 0.16 -4.92 117.98 112.77 2kmk s PHE 67 Ca 0.00 -0.12 0.20 0.00 -0.60 0.00 0.00 56.93 56.42 2kmk s PHE 67 Cb -0.07 -0.42 0.94 0.00 0.51 0.00 0.00 43.02 43.97 2kmk s PHE 67 CO 0.01 -0.03 1.86 0.66 0.70 0.00 0.00 175.22 178.43 2kmk h SER 68 N 6.10 0.00 -3.49 1.36 4.64 -1.83 -1.89 113.55 118.44 2kmk h SER 68 Ca -0.30 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.36 2kmk h SER 68 Cb 1.18 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.10 2kmk h SER 68 CO 0.50 0.28 -0.79 -1.10 -0.87 0.00 0.00 176.83 174.85 2kmk s GLN 69 N -3.92 1.79 -0.07 4.77 -0.21 -1.26 -4.68 119.66 116.08 2kmk s GLN 69 Ca -0.01 -1.26 -0.25 0.00 0.02 0.00 0.00 55.36 53.86 2kmk s GLN 69 Cb 0.12 -2.08 -0.27 0.00 1.00 0.00 0.00 33.01 31.79 2kmk s GLN 69 CO 0.66 0.46 0.91 0.77 -2.12 0.00 0.00 175.29 175.97 2kmk h SER 70 N 3.47 0.24 -0.99 5.90 0.02 -1.95 -1.09 113.55 119.15 2kmk h SER 70 Ca -0.49 -0.90 0.38 0.00 -0.84 0.00 0.00 61.79 59.95 2kmk h SER 70 Cb 1.18 -0.08 -0.18 0.00 0.14 0.00 0.00 62.40 63.47 2kmk h SER 70 CO 0.48 1.11 0.42 -1.54 -1.14 0.00 0.00 176.83 176.17 2kmk n SER 71 N -4.41 0.25 0.08 3.07 3.41 -1.26 0.37 113.62 115.13 2kmk n SER 71 Ca -0.11 1.65 -0.10 0.00 -0.26 0.00 0.00 58.87 60.04 2kmk n SER 71 Cb 0.60 -0.76 -0.12 0.00 -0.26 0.00 0.00 64.21 63.67 2kmk n SER 71 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2kmk h ASN 72 N 0.00 0.17 -0.18 4.04 4.21 -1.97 -2.40 115.58 119.45 2kmk h ASN 72 Ca 0.79 -0.18 -0.20 0.00 1.21 0.00 0.00 56.30 57.92 2kmk h ASN 72 Cb 2.01 -0.06 0.01 0.00 -1.12 0.00 0.00 38.32 39.16 2kmk h ASN 72 CO -0.80 1.13 -0.65 0.25 -1.29 0.00 0.00 177.43 176.07 2kmk h LEU 73 N 0.03 0.89 0.22 1.61 5.85 0.82 -0.20 115.31 124.53 2kmk h LEU 73 Ca -0.06 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.05 2kmk h LEU 73 Cb 1.83 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.60 2kmk h LEU 73 CO 0.16 1.34 -0.11 0.40 -0.34 0.00 0.00 178.44 179.89 2kmk h ILE 74 N 0.50 0.78 -0.27 4.05 2.04 0.26 0.44 117.51 125.30 2kmk h ILE 74 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2kmk h ILE 74 Cb 1.28 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2kmk h ILE 74 CO 0.14 0.00 0.17 0.74 0.00 0.00 0.00 178.15 179.20 2kmk h THR 75 N -0.30 1.08 -1.00 -0.27 2.02 -1.43 0.55 112.91 113.56 2kmk h THR 75 Ca -0.03 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 67.06 2kmk h THR 75 Cb 0.23 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.29 2kmk h THR 75 CO 0.05 0.08 0.65 -0.74 0.37 0.00 0.00 175.52 175.92 2kmk h HIS 76 N 0.35 1.19 -0.12 3.16 -0.00 -0.74 0.89 115.15 119.88 2kmk h HIS 76 Ca 0.10 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.35 2kmk h HIS 76 Cb -0.02 -0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 26.99 2kmk h HIS 76 CO -0.05 0.60 -0.57 0.66 -0.00 0.00 0.00 177.93 178.56 2kmk h SER 77 N 1.15 0.43 -0.43 3.26 4.64 0.73 -2.32 113.55 121.02 2kmk h SER 77 Ca 0.44 -0.24 0.06 0.00 -0.47 0.00 0.00 61.79 61.59 2kmk h SER 77 Cb 0.22 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2kmk h SER 77 CO -0.19 0.91 0.29 0.03 -0.87 0.00 0.00 176.83 177.01 2kmk h ARG 78 N 0.29 0.32 -0.07 4.77 3.08 0.25 0.18 114.38 123.19 2kmk h ARG 78 Ca 0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 2kmk h ARG 78 Cb 1.09 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 2kmk h ARG 78 CO 0.10 0.21 -0.06 0.87 -1.07 0.00 0.00 179.97 180.02 2kmk h LYS 79 N 0.33 0.17 0.41 0.04 1.57 -0.69 0.42 116.57 118.81 2kmk h LYS 79 Ca 0.19 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2kmk h LYS 79 Cb 0.33 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2kmk h LYS 79 CO -0.04 0.58 -0.27 0.45 -0.57 0.00 0.00 179.45 179.59 2kmk h HIS 80 N -0.24 -0.71 0.09 -1.35 3.86 -0.83 -2.93 115.15 113.03 2kmk h HIS 80 Ca 0.01 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2kmk h HIS 80 Cb 0.54 0.26 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 2kmk h HIS 80 CO 0.08 -0.41 -0.17 1.15 0.86 0.00 0.00 177.93 179.44 2kmk h THR 81 N -0.66 0.61 0.00 2.45 2.02 -0.73 -3.52 112.91 113.09 2kmk h THR 81 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2kmk h THR 81 Cb 0.55 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2kmk h THR 81 CO 0.03 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.53