#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkl h TYR 2 N 0.00 0.29 -1.05 1.61 3.20 -1.91 -1.88 116.97 117.24 1nkl h TYR 2 Ca 0.00 0.01 0.41 0.00 3.14 0.00 0.00 58.73 62.29 1nkl h TYR 2 Cb 0.00 -0.09 -0.15 0.00 1.54 0.00 0.00 36.73 38.03 1nkl h TYR 2 CO 0.00 0.06 0.61 1.19 -1.64 0.00 0.00 178.16 178.38 1nkl n PHE 3 N -4.41 0.93 -0.01 -3.82 3.72 -1.26 -0.79 117.46 111.83 1nkl n PHE 3 Ca 0.20 0.94 -0.09 0.00 -0.05 0.00 0.00 57.45 58.44 1nkl n PHE 3 Cb 0.86 -1.36 -0.04 0.00 -0.94 0.00 0.00 39.48 38.01 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 -0.07 -0.03 -0.31 0.00 4.22 -1.19 -0.21 114.58 116.99 1nkl h GLU 5 Ca 0.07 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.58 1nkl h GLU 5 Cb 0.19 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 1nkl h GLU 5 CO -0.17 0.15 -0.15 0.77 -2.18 0.00 0.00 179.01 177.44 1nkl h SER 6 N -0.21 -0.50 -0.12 1.04 0.02 -1.17 0.89 113.55 113.50 1nkl h SER 6 Ca -0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1nkl h SER 6 Cb 0.20 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1nkl h SER 6 CO 0.01 -0.18 0.08 0.00 -1.14 0.00 0.00 176.83 175.59 1nkl h ARG 8 N 0.15 0.07 -0.37 0.00 2.43 -0.17 0.30 114.38 116.79 1nkl h ARG 8 Ca 0.04 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1nkl h ARG 8 Cb 0.00 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1nkl h ARG 8 CO -0.01 0.04 0.11 -0.22 -1.51 0.00 0.00 179.97 178.39 1nkl h LYS 9 N 0.07 0.24 0.60 0.20 3.64 -0.68 0.13 116.57 120.78 1nkl h LYS 9 Ca 0.06 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1nkl h LYS 9 Cb 0.06 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1nkl h LYS 9 CO -0.09 0.16 -0.38 0.82 -2.27 0.00 0.00 179.45 177.69 1nkl h ILE 10 N 0.25 0.23 -0.31 2.00 2.04 -0.59 -2.43 117.51 118.70 1nkl h ILE 10 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 1nkl h ILE 10 Cb 0.16 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1nkl h ILE 10 CO -0.19 0.00 0.17 0.40 0.00 0.00 0.00 178.15 178.53 1nkl h ILE 11 N -0.93 1.13 -0.59 -0.67 1.08 -0.82 -2.51 117.51 114.20 1nkl h ILE 11 Ca -0.07 -0.35 0.06 0.00 -0.39 0.00 0.00 64.86 64.11 1nkl h ILE 11 Cb 0.76 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 35.26 1nkl h ILE 11 CO 0.07 0.13 0.29 1.56 -0.69 0.00 0.00 178.15 179.52 1nkl h GLN 12 N 0.38 0.53 0.00 2.37 1.08 -0.65 0.22 115.11 119.04 1nkl h GLN 12 Ca 0.11 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.18 1nkl h GLN 12 Cb 0.07 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1nkl h GLN 12 CO -0.02 0.35 -0.48 -0.22 -0.95 0.00 0.00 178.83 177.51 1nkl h LYS 13 N 0.55 0.00 -0.19 1.46 1.63 -1.37 -0.66 116.57 117.99 1nkl h LYS 13 Ca 0.27 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.03 1nkl h LYS 13 Cb 0.21 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 1nkl h LYS 13 CO -0.20 0.48 -0.02 1.25 -3.45 0.00 0.00 179.45 177.51 1nkl h LEU 14 N 0.00 0.34 -0.32 5.20 5.85 -0.66 -1.35 115.31 124.37 1nkl h LEU 14 Ca -0.00 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 1nkl h LEU 14 Cb 0.94 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1nkl h LEU 14 CO 0.06 0.60 0.19 -0.08 -0.34 0.00 0.00 178.44 178.88 1nkl h GLU 15 N 0.08 0.43 -0.23 1.25 4.81 -0.51 0.14 114.58 120.55 1nkl h GLU 15 Ca 0.05 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1nkl h GLU 15 Cb 0.44 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1nkl h GLU 15 CO 0.01 0.32 0.07 0.22 -0.73 0.00 0.00 179.01 178.90 1nkl h ASP 16 N 0.41 0.07 0.19 1.04 1.82 -1.17 -1.63 116.42 117.15 1nkl h ASP 16 Ca 0.11 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 1nkl h ASP 16 Cb -0.00 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.03 1nkl h ASP 16 CO -0.02 0.07 -0.09 0.24 -1.61 0.00 0.00 179.24 177.83 1nkl h MET 17 N 0.17 -0.24 -0.01 0.28 2.86 -0.77 -3.20 114.93 114.02 1nkl h MET 17 Ca 0.10 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1nkl h MET 17 Cb 0.08 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1nkl h MET 17 CO -0.11 0.15 -0.10 -0.24 1.06 0.00 0.00 176.91 177.67 1nkl h VAL 18 N -0.89 1.08 0.00 -2.22 3.04 -0.83 -3.50 116.25 112.93 1nkl h VAL 18 Ca -0.03 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1nkl h VAL 18 Cb 0.51 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 1nkl h VAL 18 CO 0.04 0.11 0.00 0.61 -1.01 0.00 0.00 177.57 177.32 1nkl n GLY 19 N -1.22 -2.60 3.81 3.17 0.00 -0.61 -4.79 105.19 102.95 1nkl n GLY 19 Ca -0.03 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.80 2.70 -0.82 1.61 0.04 -1.26 -4.26 135.00 132.22 1nkl s PRO 20 Ca 0.00 0.97 -0.24 0.00 0.04 0.00 0.00 61.00 61.77 1nkl s PRO 20 Cb 0.00 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.61 1nkl s PRO 20 CO 0.00 -1.27 0.46 1.04 0.04 0.00 0.00 177.00 177.27 1nkl n GLN 21 N -3.25 -0.48 0.00 4.56 6.02 -1.26 -4.98 117.38 117.99 1nkl n GLN 21 Ca 0.08 -0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1nkl n GLN 21 Cb 0.54 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.46 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 -3.72 0.70 -4.01 -1.09 -0.04 -1.26 -5.11 135.00 120.48 1nkl n PRO 22 Ca -0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.26 1nkl n PRO 22 Cb 0.38 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.71 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 -1.06 0.36 0.34 3.54 4.22 -1.26 -4.92 114.94 116.16 1nkl s ASN 23 Ca 0.00 -0.22 0.13 0.00 -2.14 0.00 0.00 52.86 50.64 1nkl s ASN 23 Cb 0.00 0.01 1.09 0.00 1.28 0.00 0.00 41.25 43.63 1nkl s ASN 23 CO 0.00 -0.08 1.61 -0.08 -2.04 0.00 0.00 177.10 176.51 1nkl h GLU 24 N 5.54 0.10 0.84 3.55 4.81 -1.99 -1.32 114.58 126.11 1nkl h GLU 24 Ca -0.29 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 1nkl h GLU 24 Cb 1.20 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.57 1nkl h GLU 24 CO 0.47 0.07 -0.40 0.22 -0.73 0.00 0.00 179.01 178.63 1nkl h ASP 25 N 0.10 -0.96 -0.39 1.04 3.58 -1.99 -1.63 116.42 116.18 1nkl h ASP 25 Ca 0.74 0.03 0.00 0.00 0.42 0.00 0.00 57.03 58.22 1nkl h ASP 25 Cb 1.78 0.25 -0.02 0.00 1.72 0.00 0.00 39.33 43.06 1nkl h ASP 25 CO -0.75 -0.64 0.25 0.74 -2.88 0.00 0.00 179.24 175.96 1nkl h THR 26 N -1.21 1.11 -0.04 2.25 2.02 -1.71 0.10 112.91 115.42 1nkl h THR 26 Ca -0.12 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1nkl h THR 26 Cb 0.87 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1nkl h THR 26 CO 0.19 0.10 0.01 0.58 0.37 0.00 0.00 175.52 176.77 1nkl h VAL 27 N 0.53 1.20 0.03 3.16 2.07 -1.28 0.32 116.25 122.28 1nkl h VAL 27 Ca 0.14 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1nkl h VAL 27 Cb -0.05 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1nkl h VAL 27 CO -0.03 0.16 -0.08 0.74 0.02 0.00 0.00 177.57 178.39 1nkl h THR 28 N -0.16 0.81 -0.01 2.57 2.02 0.08 -0.34 112.91 117.88 1nkl h THR 28 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1nkl h THR 28 Cb 0.26 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1nkl h THR 28 CO 0.00 0.00 -0.00 0.06 0.37 0.00 0.00 175.52 175.95 1nkl h GLN 29 N -0.15 0.01 -0.55 6.66 3.07 -0.95 -2.26 115.11 120.94 1nkl h GLN 29 Ca 0.02 -0.01 0.03 0.00 0.09 0.00 0.00 58.65 58.79 1nkl h GLN 29 Cb 0.17 -0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.70 1nkl h GLN 29 CO -0.06 0.44 0.37 0.00 0.09 0.00 0.00 178.83 179.67 1nkl h ALA 30 N 0.57 1.73 -0.11 0.06 0.00 -0.84 -0.43 119.26 120.24 1nkl h ALA 30 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1nkl h ALA 30 Cb 0.44 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1nkl h ALA 30 CO 0.00 0.21 0.01 0.00 0.00 0.00 0.00 179.25 179.46 1nkl h ALA 31 N 1.68 0.14 -0.64 0.00 0.00 -1.03 0.47 119.26 119.88 1nkl h ALA 31 Ca 0.22 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.13 1nkl h ALA 31 Cb 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1nkl h ALA 31 CO -0.06 -0.18 0.45 0.66 0.00 0.00 0.00 179.25 180.12 1nkl h SER 32 N -0.07 0.09 0.66 0.00 4.64 -0.47 -0.32 113.55 118.09 1nkl h SER 32 Ca 0.03 0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.12 1nkl h SER 32 Cb 0.33 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 1nkl h SER 32 CO 0.00 0.05 -1.48 1.56 -0.87 0.00 0.00 176.83 176.09 1nkl h GLN 33 N 0.10 0.00 -0.93 4.77 7.50 -1.25 -3.20 115.11 122.10 1nkl h GLN 33 Ca 0.31 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.46 1nkl h GLN 33 Cb 1.09 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.57 1nkl h GLN 33 CO -0.03 0.49 0.59 -0.24 -1.50 0.00 0.00 178.83 178.14 1nkl h VAL 34 N 0.00 1.25 0.28 -0.54 3.04 0.17 0.83 116.25 121.28 1nkl h VAL 34 Ca -0.20 -0.49 -0.01 0.00 -1.01 0.00 0.00 66.70 64.99 1nkl h VAL 34 Cb 1.83 -0.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1nkl h VAL 34 CO 0.07 0.25 -0.13 0.00 -1.01 0.00 0.00 177.57 176.75 1nkl h ASP 36 N -0.81 0.65 0.00 0.00 3.58 -1.38 -3.03 116.42 115.44 1nkl h ASP 36 Ca -0.04 0.09 -0.21 0.00 0.42 0.00 0.00 57.03 57.29 1nkl h ASP 36 Cb 0.51 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.54 1nkl h ASP 36 CO 0.06 0.27 -0.78 0.50 -2.88 0.00 0.00 179.24 176.42 1nkl h LYS 37 N 0.71 0.65 -6.25 0.28 3.64 -0.82 -3.42 116.57 111.36 1nkl h LYS 37 Ca 0.50 -0.54 -0.54 0.00 -1.27 0.00 0.00 60.65 58.80 1nkl h LYS 37 Cb 0.71 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.59 1nkl h LYS 37 CO -0.36 1.16 1.20 -0.51 -2.27 0.00 0.00 179.45 178.67 1nkl s LEU 38 N -8.24 3.37 0.77 5.20 1.43 -0.32 -4.99 118.68 115.91 1nkl s LEU 38 Ca -0.09 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 1nkl s LEU 38 Cb 0.09 -2.94 0.06 0.00 0.03 0.00 0.00 46.19 43.43 1nkl s LEU 38 CO 0.88 -1.92 1.12 -1.59 0.23 0.00 0.00 176.35 175.07 1nkl s LYS 39 N 6.01 2.29 0.00 1.70 -2.85 -1.26 -2.30 119.74 123.33 1nkl s LYS 39 Ca 0.60 0.42 0.00 0.00 -1.00 0.00 0.00 55.97 55.99 1nkl s LYS 39 Cb -0.13 -1.96 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 1nkl s LYS 39 CO 0.24 -1.43 0.00 -0.89 0.10 0.00 0.00 175.35 173.38 1nkl n ILE 40 N -3.26 0.00 0.92 3.79 5.41 -1.26 -4.23 119.36 120.73 1nkl n ILE 40 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.84 1nkl n ILE 40 Cb 0.58 0.00 0.07 0.00 -0.71 0.00 0.00 39.64 39.58 1nkl n ILE 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1nkl n LEU 41 N 0.00 1.52 0.00 1.39 -0.00 -1.26 -4.33 117.00 114.33 1nkl n LEU 41 Ca 0.00 -0.77 -0.10 0.00 -0.00 0.00 0.00 56.01 55.14 1nkl n LEU 41 Cb 0.00 -0.41 -0.05 0.00 -0.00 0.00 0.00 43.42 42.96 1nkl n LEU 41 CO 0.00 0.28 0.86 -0.09 -0.00 0.00 0.00 177.39 178.43 1nkl h ARG 42 N 0.72 0.01 -0.90 1.96 2.43 -1.63 -2.81 114.38 114.16 1nkl h ARG 42 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1nkl h ARG 42 Cb 0.60 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 1nkl h ARG 42 CO 0.06 0.01 0.53 0.78 -1.51 0.00 0.00 179.97 179.84 1nkl h GLY 43 N 0.01 1.31 0.87 2.80 0.00 -1.87 -2.65 103.07 103.54 1nkl h GLY 43 Ca 0.04 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1nkl h GLY 43 CO -0.09 0.54 0.03 -2.00 0.00 0.00 0.00 176.54 175.02 1nkl h LEU 44 N 1.24 0.45 -0.56 3.11 6.46 -1.84 -2.39 115.31 121.78 1nkl h LEU 44 Ca 0.32 -0.28 0.06 0.00 -0.12 0.00 0.00 57.88 57.86 1nkl h LEU 44 Cb -0.03 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 39.72 1nkl h LEU 44 CO -0.06 0.62 0.27 0.00 -0.62 0.00 0.00 178.44 178.65 1nkl h LYS 46 N 0.50 0.28 -0.02 0.00 6.56 -1.08 -0.64 116.57 122.17 1nkl h LYS 46 Ca 0.26 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.83 1nkl h LYS 46 Cb 0.22 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 31.81 1nkl h LYS 46 CO -0.21 0.18 0.01 -0.22 -2.06 0.00 0.00 179.45 177.16 1nkl h LYS 47 N 0.28 0.03 -0.54 3.15 3.64 -0.83 -1.52 116.57 120.79 1nkl h LYS 47 Ca 0.35 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.81 1nkl h LYS 47 Cb 0.54 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.29 1nkl h LYS 47 CO -0.43 0.10 0.15 0.82 -2.27 0.00 0.00 179.45 177.82 1nkl h ILE 48 N -0.04 0.75 0.47 2.00 1.08 0.04 0.14 117.51 121.95 1nkl h ILE 48 Ca 0.01 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.35 1nkl h ILE 48 Cb 0.07 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1nkl h ILE 48 CO -0.00 0.06 -0.23 0.24 -0.69 0.00 0.00 178.15 177.53 1nkl h MET 49 N 0.30 -0.61 -0.65 2.37 2.86 -1.14 0.42 114.93 118.48 1nkl h MET 49 Ca 0.27 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 58.00 1nkl h MET 49 Cb 0.34 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1nkl h MET 49 CO -0.31 -0.30 0.43 -0.09 1.06 0.00 0.00 176.91 177.70 1nkl h ARG 50 N -0.97 0.67 0.05 1.72 1.12 -0.86 0.13 114.38 116.24 1nkl h ARG 50 Ca -0.06 -0.04 -0.24 0.00 -1.11 0.00 0.00 59.98 58.52 1nkl h ARG 50 Cb 0.59 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.38 1nkl h ARG 50 CO 0.11 0.45 -1.14 1.03 -3.11 0.00 0.00 179.97 177.30 1nkl h SER 51 N 0.69 0.16 -0.29 -3.80 0.87 -0.74 -3.41 113.55 107.04 1nkl h SER 51 Ca 0.28 -0.18 -0.22 0.00 -1.23 0.00 0.00 61.79 60.44 1nkl h SER 51 Cb 0.21 -0.05 -0.35 0.00 -0.44 0.00 0.00 62.40 61.77 1nkl h SER 51 CO -0.08 1.14 -0.93 0.49 -0.53 0.00 0.00 176.83 176.92 1nkl n PHE 52 N -3.40 0.48 0.37 2.24 3.72 0.13 -5.00 117.46 116.00 1nkl n PHE 52 Ca -0.04 -1.82 -0.18 0.00 -0.05 0.00 0.00 57.45 55.35 1nkl n PHE 52 Cb 0.98 0.12 -0.09 0.00 -0.94 0.00 0.00 39.48 39.55 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 2.06 -1.04 -1.46 4.37 5.85 -0.92 -1.02 115.31 123.14 1nkl h LEU 53 Ca -0.22 0.06 0.25 0.00 0.84 0.00 0.00 57.88 58.82 1nkl h LEU 53 Cb 1.35 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 42.61 1nkl h LEU 53 CO 0.09 -0.64 0.66 -0.09 -0.34 0.00 0.00 178.44 178.13 1nkl h ARG 54 N -1.01 0.35 -0.05 1.25 9.65 -1.95 -0.44 114.38 122.19 1nkl h ARG 54 Ca -0.08 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.76 1nkl h ARG 54 Cb 0.82 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.32 1nkl h ARG 54 CO 0.08 0.23 -0.04 0.00 2.80 0.00 0.00 179.97 183.04 1nkl h ARG 55 N 0.36 0.11 -0.25 0.20 2.47 -1.64 -3.13 114.38 112.51 1nkl h ARG 55 Ca 0.55 -0.06 0.07 0.00 -1.26 0.00 0.00 59.98 59.29 1nkl h ARG 55 Cb 1.47 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.79 1nkl h ARG 55 CO -0.23 0.56 0.20 0.82 0.56 0.00 0.00 179.97 181.88 1nkl h ILE 56 N -0.33 0.72 0.42 2.04 1.08 -0.02 0.41 117.51 121.82 1nkl h ILE 56 Ca 0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 1nkl h ILE 56 Cb 0.54 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1nkl h ILE 56 CO 0.01 0.00 -0.20 -1.28 -0.69 0.00 0.00 178.15 175.99 1nkl h SER 57 N 0.00 -0.48 -0.82 1.72 0.87 -1.50 -2.57 113.55 110.77 1nkl h SER 57 Ca 0.12 -0.10 0.19 0.00 -1.23 0.00 0.00 61.79 60.76 1nkl h SER 57 Cb 0.53 0.12 -0.15 0.00 -0.44 0.00 0.00 62.40 62.46 1nkl h SER 57 CO -0.00 -0.07 -0.07 -0.25 -0.53 0.00 0.00 176.83 175.91 1nkl h TRP 58 N -0.99 -0.20 0.09 2.24 7.01 -1.18 -0.57 115.95 122.36 1nkl h TRP 58 Ca -0.06 0.07 0.01 0.00 2.11 0.00 0.00 58.89 61.02 1nkl h TRP 58 Cb 0.55 0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 27.79 1nkl h TRP 58 CO 0.02 -0.32 -0.50 -0.44 -2.79 0.00 0.00 178.44 174.42 1nkl h ASP 59 N 0.05 -1.51 -0.30 2.65 3.45 -0.91 0.31 116.42 120.16 1nkl h ASP 59 Ca 0.44 0.16 -0.01 0.00 0.43 0.00 0.00 57.03 58.05 1nkl h ASP 59 Cb 0.76 0.56 -0.01 0.00 -0.56 0.00 0.00 39.33 40.08 1nkl h ASP 59 CO -0.78 -0.52 0.16 0.40 -1.57 0.00 0.00 179.24 176.93 1nkl h ILE 60 N -0.70 1.14 -0.94 0.35 1.08 -0.94 -1.86 117.51 115.64 1nkl h ILE 60 Ca -0.00 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1nkl h ILE 60 Cb 0.71 0.83 -0.05 0.00 -3.07 0.00 0.00 36.82 35.24 1nkl h ILE 60 CO -0.28 0.14 0.59 -0.07 -0.69 0.00 0.00 178.15 177.84 1nkl h LEU 61 N 0.36 1.11 -0.32 1.44 3.38 -0.90 0.72 115.31 121.10 1nkl h LEU 61 Ca 0.10 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1nkl h LEU 61 Cb 0.08 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1nkl h LEU 61 CO -0.02 0.83 0.00 0.35 0.09 0.00 0.00 178.44 179.69 1nkl n THR 62 N -4.37 0.00 -4.33 0.22 -2.24 0.08 -4.88 114.28 98.76 1nkl n THR 62 Ca 0.11 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.56 1nkl n THR 62 Cb 0.04 -0.17 -0.09 0.00 -2.10 0.00 0.00 70.33 68.01 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 0.32 -0.18 3.82 3.38 0.00 0.24 -4.90 105.19 107.88 1nkl n GLY 63 Ca 0.00 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -7.30 4.21 0.69 1.61 2.47 -0.70 -4.99 119.74 115.73 1nkl s LYS 64 Ca 0.15 0.77 -0.12 0.00 -1.56 0.00 0.00 55.97 55.20 1nkl s LYS 64 Cb -0.08 -3.05 0.01 0.00 -1.46 0.00 0.00 37.83 33.25 1nkl s LYS 64 CO 1.00 0.52 1.08 0.15 0.16 0.00 0.00 175.35 178.25 1nkl s LYS 65 N -1.59 2.76 0.09 4.03 -0.14 -1.26 -4.78 119.74 118.85 1nkl s LYS 65 Ca 0.36 1.16 -0.22 0.00 -1.36 0.00 0.00 55.97 55.92 1nkl s LYS 65 Cb -0.18 -1.96 -0.12 0.00 -1.68 0.00 0.00 37.83 33.89 1nkl s LYS 65 CO 0.21 -1.25 1.66 -1.00 -0.76 0.00 0.00 175.35 174.20 1nkl h PRO 66 N -0.49 0.16 -0.95 -1.68 0.13 -1.94 0.11 132.00 127.35 1nkl h PRO 66 Ca -0.45 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.75 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 0.55 0.22 0.61 0.37 -0.23 0.00 0.00 178.00 179.52 1nkl h GLN 67 N 0.06 0.97 0.07 0.86 5.75 -1.92 -1.68 115.11 119.22 1nkl h GLN 67 Ca 0.04 -0.06 -0.24 0.00 -0.15 0.00 0.00 58.65 58.24 1nkl h GLN 67 Cb 0.11 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.44 1nkl h GLN 67 CO -0.01 0.64 -1.09 0.00 -2.65 0.00 0.00 178.83 175.73 1nkl h ALA 68 N 1.52 0.26 0.51 3.38 0.00 -1.69 -2.83 119.26 120.42 1nkl h ALA 68 Ca 0.44 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1nkl h ALA 68 Cb 0.36 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1nkl h ALA 68 CO -0.20 0.99 -0.49 0.82 0.00 0.00 0.00 179.25 180.37 1nkl h ILE 69 N 0.09 0.04 -0.98 0.00 2.04 0.04 0.19 117.51 118.93 1nkl h ILE 69 Ca -0.09 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.96 1nkl h ILE 69 Cb 1.79 0.04 -0.09 0.00 -0.74 0.00 0.00 36.82 37.82 1nkl h ILE 69 CO 0.17 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.94 1nkl h VAL 71 N 0.66 1.15 -0.26 0.00 2.07 -1.18 0.36 116.25 119.06 1nkl h VAL 71 Ca 0.54 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1nkl h VAL 71 Cb 0.97 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1nkl h VAL 71 CO -0.31 0.21 0.06 -0.78 0.02 0.00 0.00 177.57 176.76 1nkl h ASP 72 N -0.48 0.02 -0.02 0.57 1.82 0.45 -0.15 116.42 118.63 1nkl h ASP 72 Ca -0.01 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1nkl h ASP 72 Cb 0.41 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.47 1nkl h ASP 72 CO 0.02 0.05 0.00 2.30 -1.61 0.00 0.00 179.24 179.99 1nkl n ILE 73 N -5.08 0.03 -2.73 2.25 -5.35 -0.36 -4.97 119.36 103.14 1nkl n ILE 73 Ca -0.01 -0.09 -0.06 0.00 -0.27 0.00 0.00 62.75 62.32 1nkl n ILE 73 Cb 0.11 -0.15 0.01 0.00 -1.74 0.00 0.00 39.64 37.86 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 -0.57 -2.37 0.00 6.28 4.81 -0.07 -5.01 118.16 121.24 1nkl n LYS 74 Ca 0.19 2.10 0.00 0.00 -0.87 0.00 0.00 58.31 59.73 1nkl n LYS 74 Cb 0.17 -5.33 0.00 0.00 0.02 0.00 0.00 35.03 29.89 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 -0.17 0.00 0.00 3.15 2.08 0.12 -5.02 119.36 119.52 1nkl n ILE 75 Ca 0.09 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.40 1nkl n ILE 75 Cb 0.36 -0.12 0.00 0.00 -0.75 0.00 0.00 39.64 39.13 1nkl n ILE 75 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nkl s LYS 77 N 0.26 0.32 0.00 0.00 2.36 -1.26 -0.32 119.74 121.09 1nkl s LYS 77 Ca 0.00 -0.28 0.02 0.00 -2.55 0.00 0.00 55.97 53.16 1nkl s LYS 77 Cb 0.00 -0.01 0.11 0.00 -1.05 0.00 0.00 37.83 36.88 1nkl s LYS 77 CO 0.00 -0.41 0.60 0.39 1.55 0.00 0.00 175.35 177.48