#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkl n TYR 2 N 0.00 0.00 -0.17 1.61 9.36 -1.26 -4.58 117.16 122.12 1nkl n TYR 2 Ca 0.00 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.38 1nkl n TYR 2 Cb 0.00 0.00 0.29 0.00 -0.63 0.00 0.00 39.34 39.00 1nkl n TYR 2 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 1nkl n PHE 3 N 0.00 0.49 0.26 2.98 3.72 -1.26 -1.61 117.46 122.03 1nkl n PHE 3 Ca 0.00 0.49 -0.16 0.00 -0.05 0.00 0.00 57.45 57.73 1nkl n PHE 3 Cb 0.00 -0.92 -0.08 0.00 -0.94 0.00 0.00 39.48 37.54 1nkl n PHE 3 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nkl h GLU 5 N -0.61 0.24 -0.35 0.00 4.57 -1.68 0.16 114.58 116.90 1nkl h GLU 5 Ca -0.06 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.17 1nkl h GLU 5 Cb 0.48 -0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 28.94 1nkl h GLU 5 CO 0.09 0.23 -0.31 0.77 -1.18 0.00 0.00 179.01 178.61 1nkl h SER 6 N 0.18 -1.01 -0.08 1.04 0.02 -1.40 0.15 113.55 112.45 1nkl h SER 6 Ca 0.06 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1nkl h SER 6 Cb 0.06 0.47 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1nkl h SER 6 CO -0.01 -0.32 0.05 0.00 -1.14 0.00 0.00 176.83 175.41 1nkl h ARG 8 N 0.07 -0.31 -0.91 0.00 2.43 -0.18 -0.60 114.38 114.88 1nkl h ARG 8 Ca 0.03 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1nkl h ARG 8 Cb 0.03 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 1nkl h ARG 8 CO -0.01 -0.21 0.60 -0.22 -1.51 0.00 0.00 179.97 178.63 1nkl h LYS 9 N -0.32 1.19 0.53 0.20 3.64 -0.58 0.31 116.57 121.54 1nkl h LYS 9 Ca 0.09 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1nkl h LYS 9 Cb 0.46 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1nkl h LYS 9 CO -0.28 0.79 -0.41 0.82 -2.27 0.00 0.00 179.45 178.09 1nkl h ILE 10 N 1.23 0.17 -0.78 2.00 2.04 -0.80 -2.48 117.51 118.89 1nkl h ILE 10 Ca 0.34 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.15 1nkl h ILE 10 Cb -0.13 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.08 1nkl h ILE 10 CO -0.08 0.00 0.30 0.40 0.00 0.00 0.00 178.15 178.78 1nkl h ILE 11 N -0.92 1.26 0.08 -0.67 1.08 -0.74 -2.52 117.51 115.08 1nkl h ILE 11 Ca -0.06 -0.83 0.01 0.00 -0.39 0.00 0.00 64.86 63.59 1nkl h ILE 11 Cb 0.78 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.85 1nkl h ILE 11 CO 0.01 0.34 -0.15 1.56 -0.69 0.00 0.00 178.15 179.22 1nkl h GLN 12 N 1.14 -0.28 0.00 2.37 1.08 -0.27 0.54 115.11 119.69 1nkl h GLN 12 Ca 0.26 0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.40 1nkl h GLN 12 Cb 0.23 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1nkl h GLN 12 CO -0.02 -0.19 -0.35 -0.22 -0.95 0.00 0.00 178.83 177.11 1nkl h LYS 13 N -0.29 0.00 0.95 1.46 1.63 -1.42 -1.57 116.57 117.33 1nkl h LYS 13 Ca 0.02 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 1nkl h LYS 13 Cb 0.31 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.95 1nkl h LYS 13 CO -0.08 0.35 -0.46 1.25 -3.45 0.00 0.00 179.45 177.06 1nkl h LEU 14 N 0.00 -1.09 -0.61 5.20 7.12 -0.85 -2.21 115.31 122.88 1nkl h LEU 14 Ca -0.00 0.04 0.04 0.00 0.13 0.00 0.00 57.88 58.09 1nkl h LEU 14 Cb 0.69 0.28 -0.05 0.00 -0.53 0.00 0.00 40.66 41.06 1nkl h LEU 14 CO 0.05 -0.78 0.35 -0.08 -0.13 0.00 0.00 178.44 177.85 1nkl h GLU 15 N -1.28 0.65 -0.37 1.25 4.81 -0.77 0.33 114.58 119.20 1nkl h GLU 15 Ca -0.13 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1nkl h GLU 15 Cb 0.98 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.15 1nkl h GLU 15 CO 0.22 0.43 -0.01 0.22 -0.73 0.00 0.00 179.01 179.14 1nkl h ASP 16 N 0.67 -0.16 0.02 1.04 1.82 -1.37 -0.60 116.42 117.84 1nkl h ASP 16 Ca 0.26 0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.95 1nkl h ASP 16 Cb 0.11 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.28 1nkl h ASP 16 CO -0.15 -0.05 -0.16 0.24 -1.61 0.00 0.00 179.24 177.52 1nkl h MET 17 N 0.09 0.06 -0.30 0.28 2.86 -0.65 -3.28 114.93 114.00 1nkl h MET 17 Ca 0.18 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1nkl h MET 17 Cb 0.26 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1nkl h MET 17 CO -0.31 1.02 0.10 -0.24 1.06 0.00 0.00 176.91 178.54 1nkl h VAL 18 N -0.85 1.13 -0.11 -2.22 3.04 -1.04 -3.49 116.25 112.72 1nkl h VAL 18 Ca -0.03 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1nkl h VAL 18 Cb 1.10 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1nkl h VAL 18 CO 0.03 0.16 0.00 0.61 -1.01 0.00 0.00 177.57 177.36 1nkl n GLY 19 N -1.21 -1.97 3.78 3.17 0.00 -0.23 -4.75 105.19 103.97 1nkl n GLY 19 Ca 0.01 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 1nkl n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nkl s PRO 20 N 0.00 1.97 -0.93 1.61 0.04 -1.26 -4.25 135.00 132.18 1nkl s PRO 20 Ca 0.00 0.73 -0.24 0.00 0.04 0.00 0.00 61.00 61.53 1nkl s PRO 20 Cb 0.00 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.67 1nkl s PRO 20 CO 0.00 -1.72 0.45 1.04 0.04 0.00 0.00 177.00 176.82 1nkl n GLN 21 N -3.51 -0.46 -0.47 4.56 6.02 -1.26 -4.98 117.38 117.27 1nkl n GLN 21 Ca 0.07 -0.08 -0.08 0.00 -0.01 0.00 0.00 57.00 56.90 1nkl n GLN 21 Cb 0.56 -1.67 0.05 0.00 1.02 0.00 0.00 30.24 30.20 1nkl n GLN 21 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1nkl n PRO 22 N -4.00 -0.46 -4.06 -1.09 -0.04 -1.26 -5.12 135.00 118.97 1nkl n PRO 22 Ca -0.10 -0.52 -0.10 0.00 -0.04 0.00 0.00 63.50 62.75 1nkl n PRO 22 Cb 0.43 -0.36 -0.11 0.00 -0.04 0.00 0.00 33.50 33.42 1nkl n PRO 22 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1nkl s ASN 23 N -2.25 0.59 0.34 3.54 2.20 -1.26 -4.97 114.94 113.13 1nkl s ASN 23 Ca 0.19 -0.73 0.14 0.00 -0.94 0.00 0.00 52.86 51.52 1nkl s ASN 23 Cb -0.01 0.11 1.11 0.00 -2.00 0.00 0.00 41.25 40.47 1nkl s ASN 23 CO 0.14 -0.39 1.61 -0.08 -2.94 0.00 0.00 177.10 175.43 1nkl h GLU 24 N 3.93 0.10 0.06 3.55 4.81 -1.99 -0.08 114.58 124.96 1nkl h GLU 24 Ca -0.34 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1nkl h GLU 24 Cb 1.18 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1nkl h GLU 24 CO 0.52 0.07 -0.03 0.22 -0.73 0.00 0.00 179.01 179.06 1nkl h ASP 25 N 0.11 -0.07 -0.81 1.04 3.58 -1.99 -2.04 116.42 116.24 1nkl h ASP 25 Ca 0.74 -0.51 0.08 0.00 0.42 0.00 0.00 57.03 57.76 1nkl h ASP 25 Cb 1.80 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 42.81 1nkl h ASP 25 CO -0.74 0.51 0.53 0.74 -2.88 0.00 0.00 179.24 177.40 1nkl h THR 26 N -0.67 1.01 -0.21 2.25 2.02 -1.66 0.24 112.91 115.88 1nkl h THR 26 Ca -0.01 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1nkl h THR 26 Cb 0.57 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1nkl h THR 26 CO 0.01 0.15 0.08 0.58 0.37 0.00 0.00 175.52 176.72 1nkl h VAL 27 N 0.85 1.17 -0.03 3.16 2.07 -1.08 0.51 116.25 122.90 1nkl h VAL 27 Ca 0.36 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1nkl h VAL 27 Cb 0.30 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1nkl h VAL 27 CO -0.13 0.17 0.02 0.74 0.02 0.00 0.00 177.57 178.38 1nkl h THR 28 N 0.18 1.01 -0.15 2.57 2.02 0.09 0.59 112.91 119.23 1nkl h THR 28 Ca 0.07 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 1nkl h THR 28 Cb 0.19 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1nkl h THR 28 CO -0.01 0.01 -0.09 0.06 0.37 0.00 0.00 175.52 175.87 1nkl h GLN 29 N 0.04 0.32 -0.89 6.66 3.07 -0.78 -1.55 115.11 121.99 1nkl h GLN 29 Ca 0.01 -0.15 0.11 0.00 0.09 0.00 0.00 58.65 58.71 1nkl h GLN 29 Cb -0.01 -0.01 -0.07 0.00 0.08 0.00 0.00 27.48 27.48 1nkl h GLN 29 CO -0.00 0.66 0.57 0.00 0.09 0.00 0.00 178.83 180.15 1nkl h ALA 30 N 0.65 1.69 -0.15 0.06 0.00 -0.83 -0.03 119.26 120.66 1nkl h ALA 30 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1nkl h ALA 30 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1nkl h ALA 30 CO 0.02 0.11 0.05 0.00 0.00 0.00 0.00 179.25 179.43 1nkl h ALA 31 N 1.57 0.20 -0.83 0.00 0.00 -0.70 0.51 119.26 120.00 1nkl h ALA 31 Ca 0.42 -0.12 0.23 0.00 0.00 0.00 0.00 54.91 55.43 1nkl h ALA 31 Cb 0.50 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1nkl h ALA 31 CO -0.19 -0.19 0.59 0.66 0.00 0.00 0.00 179.25 180.12 1nkl h SER 32 N 0.07 0.12 0.69 0.00 4.64 0.04 -0.07 113.55 119.03 1nkl h SER 32 Ca 0.05 0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.17 1nkl h SER 32 Cb 0.22 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.26 1nkl h SER 32 CO -0.00 0.05 -1.44 1.56 -0.87 0.00 0.00 176.83 176.12 1nkl h GLN 33 N 0.12 0.00 -0.83 4.77 7.50 -1.10 -3.20 115.11 122.36 1nkl h GLN 33 Ca 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.55 1nkl h GLN 33 Cb 1.44 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.93 1nkl h GLN 33 CO -0.05 0.40 0.47 -0.24 -1.50 0.00 0.00 178.83 177.91 1nkl h VAL 34 N 0.00 1.24 0.23 -0.54 3.04 0.19 0.15 116.25 120.56 1nkl h VAL 34 Ca -0.19 -0.57 -0.01 0.00 -1.01 0.00 0.00 66.70 64.92 1nkl h VAL 34 Cb 1.73 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1nkl h VAL 34 CO 0.06 0.26 -0.11 0.00 -1.01 0.00 0.00 177.57 176.77 1nkl h ASP 36 N -0.75 0.49 -0.10 0.00 3.58 -1.47 -3.13 116.42 115.04 1nkl h ASP 36 Ca -0.03 0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.38 1nkl h ASP 36 Cb 0.50 0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.58 1nkl h ASP 36 CO 0.05 0.20 -0.45 0.50 -2.88 0.00 0.00 179.24 176.66 1nkl h LYS 37 N 0.59 0.49 -5.50 0.28 3.64 -0.62 -3.23 116.57 112.22 1nkl h LYS 37 Ca 0.46 -0.39 -0.69 0.00 -1.27 0.00 0.00 60.65 58.76 1nkl h LYS 37 Cb 0.66 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.47 1nkl h LYS 37 CO -0.37 1.02 2.24 1.28 -2.27 0.00 0.00 179.45 181.35 1nkl n LEU 38 N -4.27 5.22 -4.85 5.20 4.77 0.18 -4.98 117.00 118.27 1nkl n LEU 38 Ca -0.08 -4.01 -0.30 0.00 -0.03 0.00 0.00 56.01 51.59 1nkl n LEU 38 Cb 0.57 -1.72 0.05 0.00 -2.33 0.00 0.00 43.42 39.99 1nkl n LEU 38 CO 0.45 0.34 0.73 -1.59 -1.33 0.00 0.00 177.39 175.98 1nkl s LYS 39 N 3.81 2.91 0.00 3.23 0.00 -1.22 -1.59 119.74 126.87 1nkl s LYS 39 Ca 0.52 0.68 0.00 0.00 0.00 0.00 0.00 55.97 57.17 1nkl s LYS 39 Cb 0.05 -2.01 0.00 0.00 0.00 0.00 0.00 37.83 35.87 1nkl s LYS 39 CO 0.05 -1.04 0.00 -0.89 0.00 0.00 0.00 175.35 173.47 1nkl n ILE 40 N -3.05 0.00 1.65 3.79 2.08 -1.26 -4.38 119.36 118.19 1nkl n ILE 40 Ca 0.07 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.42 1nkl n ILE 40 Cb 0.55 0.00 0.19 0.00 -0.75 0.00 0.00 39.64 39.63 1nkl n ILE 40 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 1nkl n LEU 41 N 0.00 0.62 -0.18 1.39 7.94 -1.18 -3.58 117.00 122.00 1nkl n LEU 41 Ca 0.00 -0.30 -0.05 0.00 -1.11 0.00 0.00 56.01 54.55 1nkl n LEU 41 Cb 0.00 -0.07 0.04 0.00 0.53 0.00 0.00 43.42 43.92 1nkl n LEU 41 CO 0.00 0.15 1.08 -0.09 -1.11 0.00 0.00 177.39 177.42 1nkl h ARG 42 N 0.72 0.65 0.72 1.96 2.43 -1.41 -1.69 114.38 117.76 1nkl h ARG 42 Ca 0.00 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1nkl h ARG 42 Cb 0.16 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1nkl h ARG 42 CO 0.00 0.43 -0.35 0.78 -1.51 0.00 0.00 179.97 179.32 1nkl h GLY 43 N 0.67 -1.01 0.99 2.80 0.00 -1.89 -0.80 103.07 103.82 1nkl h GLY 43 Ca 0.22 0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.92 1nkl h GLY 43 CO -0.09 -0.37 0.28 -2.00 0.00 0.00 0.00 176.54 174.36 1nkl h LEU 44 N -1.01 0.56 0.17 3.11 5.85 -1.79 -0.90 115.31 121.31 1nkl h LEU 44 Ca -0.10 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1nkl h LEU 44 Cb 0.75 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1nkl h LEU 44 CO 0.16 0.46 -0.49 0.00 -0.34 0.00 0.00 178.44 178.23 1nkl h LYS 46 N -0.74 1.07 0.28 0.00 1.79 -0.84 -0.71 116.57 117.42 1nkl h LYS 46 Ca -0.01 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1nkl h LYS 46 Cb 0.73 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 1nkl h LYS 46 CO -0.23 0.71 -0.25 -0.22 -1.08 0.00 0.00 179.45 178.38 1nkl h LYS 47 N 1.11 -0.53 -0.40 3.15 3.11 -0.84 -0.98 116.57 121.18 1nkl h LYS 47 Ca 0.37 0.04 0.07 0.00 -2.81 0.00 0.00 60.65 58.31 1nkl h LYS 47 Cb 0.06 0.12 -0.06 0.00 -1.00 0.00 0.00 32.23 31.36 1nkl h LYS 47 CO -0.12 -0.35 0.06 0.82 -2.81 0.00 0.00 179.45 177.05 1nkl h ILE 48 N -0.55 0.76 0.14 2.00 2.04 0.01 0.65 117.51 122.56 1nkl h ILE 48 Ca -0.01 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1nkl h ILE 48 Cb 0.50 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1nkl h ILE 48 CO -0.04 0.03 -0.11 0.24 0.00 0.00 0.00 178.15 178.28 1nkl h MET 49 N 0.18 -0.25 -0.56 2.37 2.86 -1.05 0.42 114.93 118.91 1nkl h MET 49 Ca 0.20 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1nkl h MET 49 Cb 0.25 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1nkl h MET 49 CO -0.28 -0.16 0.19 -0.09 1.06 0.00 0.00 176.91 177.63 1nkl h ARG 50 N -0.26 0.83 -0.16 1.72 1.12 -0.72 -0.79 114.38 116.13 1nkl h ARG 50 Ca -0.01 -0.14 -0.05 0.00 -1.11 0.00 0.00 59.98 58.68 1nkl h ARG 50 Cb 0.23 -0.14 -0.00 0.00 -0.01 0.00 0.00 29.97 30.05 1nkl h ARG 50 CO -0.01 0.70 -0.08 1.03 -3.11 0.00 0.00 179.97 178.50 1nkl h SER 51 N 0.81 0.35 -1.80 -3.80 0.87 -0.47 -3.39 113.55 106.12 1nkl h SER 51 Ca 0.19 -0.42 -0.46 0.00 -1.23 0.00 0.00 61.79 59.87 1nkl h SER 51 Cb 0.21 -0.10 -0.40 0.00 -0.44 0.00 0.00 62.40 61.67 1nkl h SER 51 CO -0.01 0.69 -1.16 0.49 -0.53 0.00 0.00 176.83 176.31 1nkl n PHE 52 N -4.62 0.65 0.31 2.24 3.72 0.10 -5.01 117.46 114.85 1nkl n PHE 52 Ca -0.06 -3.61 -0.14 0.00 -0.05 0.00 0.00 57.45 53.60 1nkl n PHE 52 Cb 0.31 -0.41 -0.07 0.00 -0.94 0.00 0.00 39.48 38.37 1nkl n PHE 52 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1nkl h LEU 53 N 2.99 -0.85 -2.09 4.37 7.12 -1.32 -2.46 115.31 123.07 1nkl h LEU 53 Ca 0.06 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 1nkl h LEU 53 Cb 0.99 0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 41.36 1nkl h LEU 53 CO 0.52 -0.53 -0.00 -0.09 -0.13 0.00 0.00 178.44 178.21 1nkl h ARG 54 N -0.85 0.00 -0.01 1.25 2.43 -1.95 -0.66 114.38 114.58 1nkl h ARG 54 Ca -0.08 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1nkl h ARG 54 Cb 0.68 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1nkl h ARG 54 CO 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.55 1nkl h ARG 55 N 0.00 0.01 0.00 0.20 2.47 -1.86 -1.98 114.38 113.23 1nkl h ARG 55 Ca -0.00 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1nkl h ARG 55 Cb 0.30 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1nkl h ARG 55 CO 0.00 0.14 -0.03 0.82 0.56 0.00 0.00 179.97 181.46 1nkl h ILE 56 N -0.12 0.93 0.44 2.04 1.08 -0.77 0.35 117.51 121.47 1nkl h ILE 56 Ca 0.00 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.33 1nkl h ILE 56 Cb 0.13 1.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 1nkl h ILE 56 CO -0.00 0.03 -0.21 -1.28 -0.69 0.00 0.00 178.15 176.00 1nkl h SER 57 N 0.00 -0.50 -0.81 1.72 0.87 -1.34 -2.55 113.55 110.94 1nkl h SER 57 Ca -0.00 -0.09 0.18 0.00 -1.23 0.00 0.00 61.79 60.65 1nkl h SER 57 Cb 0.07 0.13 -0.15 0.00 -0.44 0.00 0.00 62.40 62.01 1nkl h SER 57 CO 0.00 -0.10 -0.08 -0.25 -0.53 0.00 0.00 176.83 175.88 1nkl h TRP 58 N -1.02 -0.21 -0.01 2.24 7.01 -0.72 -0.46 115.95 122.78 1nkl h TRP 58 Ca -0.06 0.06 0.03 0.00 2.11 0.00 0.00 58.89 61.03 1nkl h TRP 58 Cb 0.56 0.22 -0.06 0.00 -2.10 0.00 0.00 29.16 27.78 1nkl h TRP 58 CO 0.02 -0.31 -0.50 -0.44 -2.79 0.00 0.00 178.44 174.42 1nkl h ASP 59 N 0.05 -1.53 -0.02 2.65 3.32 -0.88 0.37 116.42 120.36 1nkl h ASP 59 Ca 0.42 0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.65 1nkl h ASP 59 Cb 0.73 0.59 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 1nkl h ASP 59 CO -0.77 -0.50 0.01 0.40 -1.72 0.00 0.00 179.24 176.66 1nkl h ILE 60 N -0.64 1.07 -0.55 0.35 1.08 -0.91 -2.59 117.51 115.32 1nkl h ILE 60 Ca 0.03 -0.21 0.04 0.00 -0.39 0.00 0.00 64.86 64.32 1nkl h ILE 60 Cb 0.70 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.60 1nkl h ILE 60 CO -0.35 0.06 0.37 -0.07 -0.69 0.00 0.00 178.15 177.46 1nkl h LEU 61 N -0.05 0.52 -0.64 1.44 3.38 -0.83 0.13 115.31 119.25 1nkl h LEU 61 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nkl h LEU 61 Cb 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1nkl h LEU 61 CO -0.00 0.35 0.00 0.35 0.09 0.00 0.00 178.44 179.23 1nkl n THR 62 N -4.47 0.21 -4.33 0.22 -2.24 0.09 -4.93 114.28 98.84 1nkl n THR 62 Ca 0.07 -0.23 -0.32 0.00 -2.27 0.00 0.00 64.05 61.29 1nkl n THR 62 Cb 0.17 0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.41 1nkl n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nkl n GLY 63 N 0.83 -0.17 3.82 3.38 0.00 0.45 -4.92 105.19 108.57 1nkl n GLY 63 Ca 0.08 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1nkl n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nkl s LYS 64 N -7.31 4.18 0.70 1.61 2.20 -0.98 -5.01 119.74 115.12 1nkl s LYS 64 Ca 0.13 0.73 -0.12 0.00 -0.36 0.00 0.00 55.97 56.35 1nkl s LYS 64 Cb -0.08 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 33.22 1nkl s LYS 64 CO 1.00 0.51 1.08 0.15 -0.36 0.00 0.00 175.35 177.73 1nkl s LYS 65 N -1.63 2.69 0.12 4.03 -0.14 -1.26 -4.72 119.74 118.83 1nkl s LYS 65 Ca 0.36 1.18 -0.20 0.00 -1.36 0.00 0.00 55.97 55.95 1nkl s LYS 65 Cb -0.18 -1.95 -0.06 0.00 -1.68 0.00 0.00 37.83 33.97 1nkl s LYS 65 CO 0.20 -1.31 1.75 -1.00 -0.76 0.00 0.00 175.35 174.23 1nkl h PRO 66 N -0.54 0.14 -0.91 -1.68 0.13 -1.95 0.97 132.00 128.16 1nkl h PRO 66 Ca -0.45 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.78 1nkl h PRO 66 Cb 1.23 -0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1nkl h PRO 66 CO 0.54 0.09 0.59 0.37 -0.23 0.00 0.00 178.00 179.36 1nkl h GLN 67 N 0.15 0.86 0.12 0.86 5.75 -1.92 -1.26 115.11 119.67 1nkl h GLN 67 Ca 0.07 -0.05 -0.28 0.00 -0.15 0.00 0.00 58.65 58.24 1nkl h GLN 67 Cb 0.04 -0.19 0.01 0.00 1.07 0.00 0.00 27.48 28.41 1nkl h GLN 67 CO -0.08 0.57 -1.22 0.00 -2.65 0.00 0.00 178.83 175.46 1nkl h ALA 68 N 1.55 0.09 0.03 3.38 0.00 -1.58 -2.79 119.26 119.95 1nkl h ALA 68 Ca 0.43 -0.82 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1nkl h ALA 68 Cb 0.44 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1nkl h ALA 68 CO -0.19 0.83 -0.29 0.82 0.00 0.00 0.00 179.25 180.42 1nkl h ILE 69 N 0.16 0.36 -0.87 0.00 2.04 -0.17 -0.05 117.51 118.99 1nkl h ILE 69 Ca -0.15 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.76 1nkl h ILE 69 Cb 1.91 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 1nkl h ILE 69 CO 0.21 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.93 1nkl h VAL 71 N 1.00 1.16 -0.31 0.00 2.07 -1.17 0.17 116.25 119.17 1nkl h VAL 71 Ca 0.37 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 67.16 1nkl h VAL 71 Cb 0.17 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1nkl h VAL 71 CO -0.13 0.19 0.05 -0.78 0.02 0.00 0.00 177.57 176.92 1nkl h ASP 72 N -0.43 -0.02 0.02 0.57 1.82 -0.24 0.01 116.42 118.15 1nkl h ASP 72 Ca -0.01 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1nkl h ASP 72 Cb 0.38 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.47 1nkl h ASP 72 CO 0.01 0.02 -0.00 2.30 -1.61 0.00 0.00 179.24 179.97 1nkl n ILE 73 N -5.11 0.00 -2.80 2.25 -5.35 -0.43 -4.95 119.36 102.97 1nkl n ILE 73 Ca 0.00 -0.05 -0.04 0.00 -0.27 0.00 0.00 62.75 62.39 1nkl n ILE 73 Cb 0.14 -0.30 0.01 0.00 -1.74 0.00 0.00 39.64 37.75 1nkl n ILE 73 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1nkl n LYS 74 N -0.78 -1.78 0.00 6.28 4.81 -0.01 -5.01 118.16 121.67 1nkl n LYS 74 Ca 0.23 1.75 0.00 0.00 -0.87 0.00 0.00 58.31 59.42 1nkl n LYS 74 Cb 0.16 -5.34 0.00 0.00 0.02 0.00 0.00 35.03 29.87 1nkl n LYS 74 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1nkl n ILE 75 N -0.87 0.00 0.00 3.15 5.41 0.55 -5.03 119.36 122.57 1nkl n ILE 75 Ca 0.07 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1nkl n ILE 75 Cb 0.45 0.27 0.00 0.00 -0.71 0.00 0.00 39.64 39.65 1nkl n ILE 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nkl n LYS 77 N 0.00 0.34 0.00 0.00 3.00 -1.26 -0.69 118.16 119.55 1nkl n LYS 77 Ca 0.00 -1.07 0.00 0.00 -0.00 0.00 0.00 58.31 57.24 1nkl n LYS 77 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 35.03 34.40 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79