#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 0.86 -0.31 1.61 9.36 -1.26 -2.28 117.16 125.14 1nkl n TYR 2 Ca 0.00 1.03 0.12 0.00 3.32 0.00 0.00 57.90 62.37 1nkl n TYR 2 Cb 0.00 -1.34 0.24 0.00 -0.63 0.00 0.00 39.34 37.61 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 -5.05 0.53 -0.22 2.98 3.72 -1.26 -1.58 117.46 116.58 1nkl n PHE 3 Ca 0.29 1.07 -0.06 0.00 -0.05 0.00 0.00 57.45 58.69 1nkl n PHE 3 Cb 0.97 -1.15 0.04 0.00 -0.94 0.00 0.00 39.48 38.40 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 0.85 -1.15 -0.57 0.00 4.22 -1.52 -0.15 114.58 116.25 1nkl h GLU 5 Ca 0.22 0.08 -0.07 0.00 0.08 0.00 0.00 59.36 59.67 1nkl h GLU 5 Cb -0.01 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1nkl h GLU 5 CO -0.04 -0.77 0.07 0.77 -2.18 0.00 0.00 179.01 176.86 1nkl h SER 6 N -1.20 0.89 -0.23 1.04 0.02 -1.49 0.13 113.55 112.71 1nkl h SER 6 Ca -0.12 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1nkl h SER 6 Cb 0.91 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 1nkl h SER 6 CO 0.20 0.91 0.02 0.00 -1.14 0.00 0.00 176.83 176.82 1nkl h ARG 8 N 0.10 -0.13 -0.73 0.00 2.43 -0.24 -1.79 114.38 114.03 1nkl h ARG 8 Ca 0.11 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 1nkl h ARG 8 Cb 0.12 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 1nkl h ARG 8 CO -0.16 -0.09 0.40 -0.22 -1.51 0.00 0.00 179.97 178.39 1nkl h LYS 9 N -0.14 0.68 -0.01 0.20 3.64 -0.65 0.13 116.57 120.43 1nkl h LYS 9 Ca 0.09 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1nkl h LYS 9 Cb 0.27 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1nkl h LYS 9 CO -0.22 0.45 0.01 0.82 -2.27 0.00 0.00 179.45 178.24 1nkl h ILE 10 N 0.70 1.04 -0.04 2.00 2.04 -0.23 -1.38 117.51 121.65 1nkl h ILE 10 Ca 0.34 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 66.08 1nkl h ILE 10 Cb 0.27 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1nkl h ILE 10 CO -0.22 0.03 0.01 0.40 0.00 0.00 0.00 178.15 178.38 1nkl h ILE 11 N -0.03 1.16 -0.54 -0.67 5.03 -1.02 -3.05 117.51 118.39 1nkl h ILE 11 Ca 0.00 -0.48 0.10 0.00 -0.12 0.00 0.00 64.86 64.37 1nkl h ILE 11 Cb 0.05 1.41 -0.09 0.00 -3.03 0.00 0.00 36.82 35.16 1nkl h ILE 11 CO -0.00 0.13 0.02 1.56 -0.68 0.00 0.00 178.15 179.18 1nkl h GLN 12 N -0.13 0.14 0.00 2.37 1.08 -0.46 0.25 115.11 118.36 1nkl h GLN 12 Ca 0.01 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1nkl h GLN 12 Cb 0.20 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1nkl h GLN 12 CO -0.00 0.09 -0.37 -0.22 -0.95 0.00 0.00 178.83 177.38 1nkl h LYS 13 N 0.14 0.00 0.09 1.46 1.63 -1.32 -0.84 116.57 117.73 1nkl h LYS 13 Ca 0.28 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1nkl h LYS 13 Cb 0.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1nkl h LYS 13 CO -0.43 0.37 -0.04 1.25 -3.45 0.00 0.00 179.45 177.14 1nkl h LEU 14 N 0.00 -0.10 -0.44 5.20 6.46 -0.76 -2.79 115.31 122.88 1nkl h LEU 14 Ca -0.00 -0.47 0.08 0.00 -0.12 0.00 0.00 57.88 57.37 1nkl h LEU 14 Cb 0.65 0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.54 1nkl h LEU 14 CO 0.05 0.48 -0.02 -0.08 -0.62 0.00 0.00 178.44 178.25 1nkl h GLU 15 N -0.73 0.09 -0.29 1.25 4.81 -0.51 0.21 114.58 119.40 1nkl h GLU 15 Ca -0.01 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1nkl h GLU 15 Cb 0.57 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 1nkl h GLU 15 CO 0.02 0.06 0.05 0.22 -0.73 0.00 0.00 179.01 178.63 1nkl h ASP 16 N 0.09 -0.01 0.26 1.04 1.82 -1.25 -0.59 116.42 117.78 1nkl h ASP 16 Ca 0.22 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.90 1nkl h ASP 16 Cb 0.32 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1nkl h ASP 16 CO -0.38 0.03 -0.12 0.24 -1.61 0.00 0.00 179.24 177.39 1nkl h MET 17 N 0.15 -0.33 0.00 0.28 2.86 -0.95 -3.22 114.93 113.72 1nkl h MET 17 Ca 0.14 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1nkl h MET 17 Cb 0.15 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1nkl h MET 17 CO -0.19 0.02 -0.09 -0.24 1.06 0.00 0.00 176.91 177.47 1nkl h VAL 18 N -0.90 0.96 0.00 -2.22 3.04 -0.70 -3.50 116.25 112.93 1nkl h VAL 18 Ca -0.04 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1nkl h VAL 18 Cb 0.50 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1nkl h VAL 18 CO 0.06 0.09 0.00 0.61 -1.01 0.00 0.00 177.57 177.32 1nkl n GLY 19 N -1.21 -1.37 0.00 3.17 0.00 -0.23 -4.54 105.19 101.01 1nkl n GLY 19 Ca -0.03 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.52 1nkl n GLY 19 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nkl n PRO 20 N -1.69 0.50 -3.35 1.61 -0.04 -1.26 -3.99 135.00 126.78 1nkl n PRO 20 Ca 0.00 0.04 -0.26 0.00 -0.04 0.00 0.00 63.50 63.24 1nkl n PRO 20 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 1nkl n PRO 20 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1nkl n GLN 21 N -1.18 0.95 -1.14 0.54 3.00 -1.26 -4.89 117.38 113.41 1nkl n GLN 21 Ca 0.14 -3.56 -0.03 0.00 -0.01 0.00 0.00 57.00 53.54 1nkl n GLN 21 Cb 0.15 -1.61 0.01 0.00 0.00 0.00 0.00 30.24 28.79 1nkl n GLN 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1nkl n PRO 22 N 1.78 0.80 -4.05 -1.09 -0.04 -1.26 -5.15 135.00 125.99 1nkl n PRO 22 Ca 0.25 -0.41 -0.09 0.00 -0.04 0.00 0.00 63.50 63.21 1nkl n PRO 22 Cb 0.48 -0.05 -0.11 0.00 -0.04 0.00 0.00 33.50 33.78 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 -1.51 0.55 0.35 3.54 4.22 -1.26 -4.92 114.94 115.90 1nkl s ASN 23 Ca 0.09 -0.71 0.15 0.00 -2.14 0.00 0.00 52.86 50.24 1nkl s ASN 23 Cb -0.01 0.11 1.15 0.00 1.28 0.00 0.00 41.25 43.78 1nkl s ASN 23 CO 0.06 -0.39 1.60 -0.08 -2.04 0.00 0.00 177.10 176.25 1nkl h GLU 24 N 3.99 0.08 0.16 3.55 4.57 -1.99 -0.57 114.58 124.37 1nkl h GLU 24 Ca -0.34 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.83 1nkl h GLU 24 Cb 1.18 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1nkl h GLU 24 CO 0.51 0.05 -0.08 0.22 -1.18 0.00 0.00 179.01 178.54 1nkl h ASP 25 N 0.08 -0.18 -0.81 1.04 3.58 -1.99 -2.31 116.42 115.84 1nkl h ASP 25 Ca 0.76 -0.36 0.05 0.00 0.42 0.00 0.00 57.03 57.91 1nkl h ASP 25 Cb 1.87 0.05 -0.05 0.00 1.72 0.00 0.00 39.33 42.92 1nkl h ASP 25 CO -0.75 0.33 0.53 0.74 -2.88 0.00 0.00 179.24 177.21 1nkl h THR 26 N -0.76 1.07 -0.40 2.25 2.02 -1.59 0.21 112.91 115.72 1nkl h THR 26 Ca -0.02 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1nkl h THR 26 Cb 0.52 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1nkl h THR 26 CO 0.04 0.17 0.20 0.58 0.37 0.00 0.00 175.52 176.88 1nkl h VAL 27 N 0.92 1.16 0.13 3.16 2.07 -1.21 0.12 116.25 122.59 1nkl h VAL 27 Ca 0.34 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1nkl h VAL 27 Cb 0.17 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1nkl h VAL 27 CO -0.11 0.17 -0.06 0.74 0.02 0.00 0.00 177.57 178.33 1nkl h THR 28 N 0.51 0.91 -0.41 2.57 2.02 -0.13 0.75 112.91 119.13 1nkl h THR 28 Ca 0.14 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 1nkl h THR 28 Cb 0.09 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1nkl h THR 28 CO -0.02 0.03 -0.29 0.06 0.37 0.00 0.00 175.52 175.68 1nkl h GLN 29 N -0.24 0.92 -0.96 6.66 3.07 -0.70 -0.51 115.11 123.35 1nkl h GLN 29 Ca -0.02 -0.44 0.04 0.00 0.09 0.00 0.00 58.65 58.32 1nkl h GLN 29 Cb 0.19 -0.01 -0.06 0.00 0.08 0.00 0.00 27.48 27.68 1nkl h GLN 29 CO 0.03 1.10 0.63 0.00 0.09 0.00 0.00 178.83 180.67 1nkl h ALA 30 N 0.80 1.40 -0.18 0.06 0.00 -0.73 -1.71 119.26 118.89 1nkl h ALA 30 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1nkl h ALA 30 Cb 0.87 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1nkl h ALA 30 CO 0.08 0.50 0.09 0.00 0.00 0.00 0.00 179.25 179.92 1nkl h ALA 31 N 1.45 0.24 -0.99 0.00 0.00 -0.51 0.48 119.26 119.93 1nkl h ALA 31 Ca 0.39 -0.08 0.28 0.00 0.00 0.00 0.00 54.91 55.49 1nkl h ALA 31 Cb 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1nkl h ALA 31 CO -0.12 -0.20 0.70 0.66 0.00 0.00 0.00 179.25 180.29 1nkl h SER 32 N 0.17 0.10 0.68 0.00 4.64 -0.19 0.90 113.55 119.85 1nkl h SER 32 Ca 0.06 0.02 -0.23 0.00 -0.47 0.00 0.00 61.79 61.16 1nkl h SER 32 Cb 0.13 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.17 1nkl h SER 32 CO -0.01 0.03 -1.46 1.56 -0.87 0.00 0.00 176.83 176.08 1nkl h GLN 33 N 0.10 0.00 -0.59 4.77 1.08 -1.01 -3.15 115.11 116.30 1nkl h GLN 33 Ca 0.49 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.68 1nkl h GLN 33 Cb 1.77 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.17 1nkl h GLN 33 CO -0.06 0.50 0.34 -0.24 -0.95 0.00 0.00 178.83 178.41 1nkl h VAL 34 N 0.00 1.19 -0.05 -0.54 3.04 0.24 1.00 116.25 121.12 1nkl h VAL 34 Ca -0.20 -0.45 -0.02 0.00 -1.01 0.00 0.00 66.70 65.02 1nkl h VAL 34 Cb 1.82 0.41 -0.00 0.00 -2.01 0.00 0.00 31.29 31.51 1nkl h VAL 34 CO 0.08 0.20 -0.04 0.00 -1.01 0.00 0.00 177.57 176.79 1nkl h ASP 36 N -0.31 -0.01 -0.12 0.00 3.58 -1.43 -3.15 116.42 114.98 1nkl h ASP 36 Ca 0.01 0.11 -0.21 0.00 0.42 0.00 0.00 57.03 57.36 1nkl h ASP 36 Cb 0.53 0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.74 1nkl h ASP 36 CO 0.01 0.01 -0.73 0.50 -2.88 0.00 0.00 179.24 176.14 1nkl h LYS 37 N 0.25 0.76 -5.45 0.28 3.64 -0.75 -3.23 116.57 112.06 1nkl h LYS 37 Ca 0.30 -0.59 -0.69 0.00 -1.27 0.00 0.00 60.65 58.40 1nkl h LYS 37 Cb 0.45 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.29 1nkl h LYS 37 CO -0.39 1.21 2.24 1.28 -2.27 0.00 0.00 179.45 181.51 1nkl n LEU 38 N -3.93 5.26 -4.85 5.20 4.77 0.53 -4.97 117.00 119.00 1nkl n LEU 38 Ca -0.06 -4.02 -0.30 0.00 -0.03 0.00 0.00 56.01 51.59 1nkl n LEU 38 Cb 0.72 -1.72 0.06 0.00 -2.33 0.00 0.00 43.42 40.15 1nkl n LEU 38 CO 0.52 0.36 0.74 -1.59 -1.33 0.00 0.00 177.39 176.09 1nkl s LYS 39 N 3.74 2.68 0.00 3.23 0.00 -1.22 -1.90 119.74 126.26 1nkl s LYS 39 Ca 0.52 0.56 0.00 0.00 0.00 0.00 0.00 55.97 57.05 1nkl s LYS 39 Cb 0.05 -1.99 0.00 0.00 0.00 0.00 0.00 37.83 35.88 1nkl s LYS 39 CO 0.05 -1.18 0.00 -0.89 0.00 0.00 0.00 175.35 173.33 1nkl n ILE 40 N -3.12 0.00 1.50 3.79 5.41 -1.26 -4.37 119.36 121.31 1nkl n ILE 40 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.84 1nkl n ILE 40 Cb 0.56 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 39.55 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 0.79 -0.32 1.39 7.94 -1.23 -4.14 117.00 121.42 1nkl n LEU 41 Ca 0.00 -0.39 -0.01 0.00 -1.11 0.00 0.00 56.01 54.50 1nkl n LEU 41 Cb 0.00 -0.13 0.12 0.00 0.53 0.00 0.00 43.42 43.93 1nkl n LEU 41 CO 0.00 0.18 1.22 -0.09 -1.11 0.00 0.00 177.39 177.59 1nkl h ARG 42 N 0.72 1.04 0.82 1.96 2.43 -1.58 -1.72 114.38 118.04 1nkl h ARG 42 Ca 0.00 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 1nkl h ARG 42 Cb 0.23 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1nkl h ARG 42 CO 0.01 0.69 -0.39 0.78 -1.51 0.00 0.00 179.97 179.55 1nkl h GLY 43 N 1.08 -1.14 0.98 2.80 0.00 -1.88 -1.85 103.07 103.04 1nkl h GLY 43 Ca 0.35 0.42 0.00 0.00 0.00 0.00 0.00 47.33 48.11 1nkl h GLY 43 CO -0.13 -0.42 0.09 -2.00 0.00 0.00 0.00 176.54 174.08 1nkl h LEU 44 N -1.13 0.14 -0.23 3.11 5.85 -1.79 -1.42 115.31 119.84 1nkl h LEU 44 Ca -0.11 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1nkl h LEU 44 Cb 0.85 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 1nkl h LEU 44 CO 0.18 0.11 -0.37 0.00 -0.34 0.00 0.00 178.44 178.02 1nkl h LYS 46 N -0.38 1.10 -0.36 0.00 1.57 -0.99 -1.35 116.57 116.16 1nkl h LYS 46 Ca 0.11 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1nkl h LYS 46 Cb 0.57 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1nkl h LYS 46 CO -0.44 0.73 0.21 -0.22 -0.57 0.00 0.00 179.45 179.15 1nkl h LYS 47 N 1.13 0.49 0.26 3.15 3.11 -0.16 -0.27 116.57 124.28 1nkl h LYS 47 Ca 0.35 -0.05 0.01 0.00 -2.81 0.00 0.00 60.65 58.15 1nkl h LYS 47 Cb 0.01 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.11 1nkl h LYS 47 CO -0.10 0.38 -0.40 0.82 -2.81 0.00 0.00 179.45 177.33 1nkl h ILE 48 N 0.46 0.18 0.28 2.00 1.08 0.18 -1.29 117.51 120.41 1nkl h ILE 48 Ca 0.13 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.58 1nkl h ILE 48 Cb 0.03 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 33.96 1nkl h ILE 48 CO -0.02 0.00 -0.14 0.24 -0.69 0.00 0.00 178.15 177.54 1nkl h MET 49 N -0.73 -0.37 -0.95 2.37 2.86 -1.24 0.12 114.93 116.99 1nkl h MET 49 Ca -0.01 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1nkl h MET 49 Cb 0.70 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.38 1nkl h MET 49 CO -0.15 -0.23 0.62 -0.09 1.06 0.00 0.00 176.91 178.11 1nkl h ARG 50 N -0.40 1.14 0.00 1.72 1.12 -0.96 0.12 114.38 117.12 1nkl h ARG 50 Ca -0.04 -0.07 -0.19 0.00 -1.11 0.00 0.00 59.98 58.57 1nkl h ARG 50 Cb 0.30 -0.26 -0.03 0.00 -0.01 0.00 0.00 29.97 29.98 1nkl h ARG 50 CO 0.06 0.75 -0.91 1.03 -3.11 0.00 0.00 179.97 177.80 1nkl h SER 51 N 1.17 0.00 -0.28 -3.80 0.87 -0.98 -3.40 113.55 107.14 1nkl h SER 51 Ca 0.39 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.73 1nkl h SER 51 Cb 0.05 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 61.68 1nkl h SER 51 CO -0.14 0.91 -0.87 0.49 -0.53 0.00 0.00 176.83 176.69 1nkl n PHE 52 N -3.42 0.27 0.38 2.24 3.72 0.39 -5.02 117.46 116.03 1nkl n PHE 52 Ca -0.00 -1.87 -0.19 0.00 -0.05 0.00 0.00 57.45 55.35 1nkl n PHE 52 Cb 0.87 0.26 -0.09 0.00 -0.94 0.00 0.00 39.48 39.58 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 2.00 -1.09 -2.49 4.37 5.85 -0.93 -1.14 115.31 121.89 1nkl h LEU 53 Ca -0.24 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1nkl h LEU 53 Cb 1.33 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 42.68 1nkl h LEU 53 CO 0.06 -0.66 -0.02 -0.09 -0.34 0.00 0.00 178.44 177.39 1nkl h ARG 54 N -1.06 0.00 0.20 1.25 2.43 -1.95 -0.07 114.38 115.18 1nkl h ARG 54 Ca -0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1nkl h ARG 54 Cb 0.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1nkl h ARG 54 CO 0.08 0.02 -0.10 0.00 -1.51 0.00 0.00 179.97 178.47 1nkl h ARG 55 N 0.00 -0.26 -0.19 0.20 2.47 -1.66 -1.09 114.38 113.85 1nkl h ARG 55 Ca -0.00 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.79 1nkl h ARG 55 Cb 0.09 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1nkl h ARG 55 CO 0.00 0.05 0.14 0.82 0.56 0.00 0.00 179.97 181.54 1nkl h ILE 56 N -0.59 0.82 0.51 2.04 1.08 0.05 0.11 117.51 121.52 1nkl h ILE 56 Ca -0.03 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 1nkl h ILE 56 Cb 0.43 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 1nkl h ILE 56 CO 0.05 0.00 -0.24 -1.28 -0.69 0.00 0.00 178.15 175.98 1nkl h SER 57 N 0.00 -0.58 -0.83 1.72 0.87 -1.10 -2.20 113.55 111.44 1nkl h SER 57 Ca 0.09 -0.04 0.18 0.00 -1.23 0.00 0.00 61.79 60.80 1nkl h SER 57 Cb 0.38 0.15 -0.15 0.00 -0.44 0.00 0.00 62.40 62.33 1nkl h SER 57 CO -0.00 -0.17 -0.09 -0.25 -0.53 0.00 0.00 176.83 175.79 1nkl h TRP 58 N -1.10 -0.23 0.12 2.24 7.01 -0.15 0.11 115.95 123.95 1nkl h TRP 58 Ca -0.07 0.07 0.01 0.00 2.11 0.00 0.00 58.89 61.01 1nkl h TRP 58 Cb 0.58 0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 27.83 1nkl h TRP 58 CO 0.01 -0.32 -0.52 -0.44 -2.79 0.00 0.00 178.44 174.37 1nkl h ASP 59 N 0.04 -1.57 -0.40 2.65 3.45 -0.81 0.78 116.42 120.56 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 0.75 0.58 -0.02 0.00 -0.56 0.00 0.00 39.33 40.08 1nkl h ASP 59 CO -0.79 -0.55 0.21 0.40 -1.57 0.00 0.00 179.24 176.94 1nkl h ILE 60 N -0.74 1.16 -0.40 0.35 1.08 -0.63 -1.39 117.51 116.94 1nkl h ILE 60 Ca -0.01 -0.42 -0.01 0.00 -0.39 0.00 0.00 64.86 64.03 1nkl h ILE 60 Cb 0.75 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 1nkl h ILE 60 CO -0.28 0.17 0.21 -0.07 -0.69 0.00 0.00 178.15 177.48 1nkl h LEU 61 N 0.52 0.48 -1.56 1.44 3.38 -0.74 0.91 115.31 119.74 1nkl h LEU 61 Ca 0.14 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1nkl h LEU 61 Cb 0.07 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1nkl h LEU 61 CO -0.02 0.40 0.00 0.35 0.09 0.00 0.00 178.44 179.26 1nkl n THR 62 N -4.43 0.75 -4.30 0.22 -2.24 0.25 -4.92 114.28 99.61 1nkl n THR 62 Ca 0.03 -0.44 -0.32 0.00 -2.27 0.00 0.00 64.05 61.05 1nkl n THR 62 Cb 0.10 -0.20 -0.09 0.00 -2.10 0.00 0.00 70.33 68.04 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 0.48 -0.17 3.82 3.38 0.00 0.31 -4.91 105.19 108.10 1nkl n GLY 63 Ca 0.09 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 -7.21 4.16 0.69 1.61 2.20 -0.53 -5.01 119.74 115.66 1nkl s LYS 64 Ca 0.15 0.72 -0.13 0.00 -0.36 0.00 0.00 55.97 56.36 1nkl s LYS 64 Cb -0.09 -3.01 0.01 0.00 -1.51 0.00 0.00 37.83 33.24 1nkl s LYS 64 CO 0.97 0.50 1.08 0.15 -0.36 0.00 0.00 175.35 177.69 1nkl s LYS 65 N -1.70 2.75 0.04 4.03 3.01 -1.26 -4.75 119.74 121.85 1nkl s LYS 65 Ca 0.37 1.17 -0.24 0.00 -1.01 0.00 0.00 55.97 56.26 1nkl s LYS 65 Cb -0.17 -1.96 -0.17 0.00 -1.01 0.00 0.00 37.83 34.52 1nkl s LYS 65 CO 0.20 -1.26 1.52 -1.00 0.51 0.00 0.00 175.35 175.32 1nkl h PRO 66 N -0.48 -0.02 -0.25 -1.68 0.13 -1.95 0.68 132.00 128.43 1nkl h PRO 66 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1nkl h PRO 66 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1nkl h PRO 66 CO 0.54 0.20 0.10 0.37 -0.23 0.00 0.00 178.00 178.99 1nkl h GLN 67 N -0.24 0.35 0.09 0.86 4.15 -1.93 -1.68 115.11 116.70 1nkl h GLN 67 Ca -0.00 -0.04 -0.26 0.00 0.77 0.00 0.00 58.65 59.13 1nkl h GLN 67 Cb 0.23 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1nkl h GLN 67 CO 0.00 0.29 -1.13 0.00 -1.93 0.00 0.00 178.83 176.06 1nkl h ALA 68 N 1.77 0.20 -0.15 3.38 0.00 -1.81 -2.84 119.26 119.81 1nkl h ALA 68 Ca 0.09 -0.82 0.04 0.00 0.00 0.00 0.00 54.91 54.22 1nkl h ALA 68 Cb 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1nkl h ALA 68 CO -0.01 0.92 -0.10 0.82 0.00 0.00 0.00 179.25 180.88 1nkl h ILE 69 N 0.12 0.70 -0.88 0.00 2.04 -0.19 -0.44 117.51 118.86 1nkl h ILE 69 Ca -0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.80 1nkl h ILE 69 Cb 1.83 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 1nkl h ILE 69 CO 0.19 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.91 1nkl h VAL 71 N 1.03 1.00 -0.31 0.00 2.07 -1.16 0.24 116.25 119.12 1nkl h VAL 71 Ca 0.37 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1nkl h VAL 71 Cb 0.14 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1nkl h VAL 71 CO -0.13 0.11 0.06 -0.78 0.02 0.00 0.00 177.57 176.86 1nkl h ASP 72 N -0.38 0.00 -0.04 0.57 1.82 -0.39 -1.22 116.42 116.78 1nkl h ASP 72 Ca -0.02 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1nkl h ASP 72 Cb 0.31 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1nkl h ASP 72 CO 0.03 0.04 0.00 2.30 -1.61 0.00 0.00 179.24 179.99 1nkl n ILE 73 N -5.09 0.05 -2.26 2.25 -5.35 -0.30 -4.95 119.36 103.70 1nkl n ILE 73 Ca 0.00 -0.16 -0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1nkl n ILE 73 Cb 0.14 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 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 -0.29 -0.67 0.00 6.28 4.81 -0.46 -5.01 118.16 122.82 1nkl n LYS 74 Ca 0.19 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.58 1nkl n LYS 74 Cb 0.22 -3.57 0.00 0.00 0.02 0.00 0.00 35.03 31.70 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 -1.43 0.00 -0.62 3.15 5.41 0.73 -5.03 119.36 121.57 1nkl n ILE 75 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1nkl n ILE 75 Cb 0.50 0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.44 1nkl n ILE 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nkl s LYS 77 N 1.04 4.01 0.00 0.00 2.36 -1.26 -4.74 119.74 121.15 1nkl s LYS 77 Ca 0.00 -2.44 0.00 0.00 -2.55 0.00 0.00 55.97 50.98 1nkl s LYS 77 Cb 0.00 -5.05 0.00 0.00 -1.05 0.00 0.00 37.83 31.73 1nkl s LYS 77 CO 0.00 -1.78 0.04 0.39 1.55 0.00 0.00 175.35 175.55