#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 0.74 -1.00 1.61 3.20 -1.92 -0.43 116.97 119.17 1nkl h TYR 2 Ca 0.00 0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.12 1nkl h TYR 2 Cb 0.00 -0.22 -0.11 0.00 1.54 0.00 0.00 36.73 37.95 1nkl h TYR 2 CO 0.00 0.10 0.62 0.74 -1.64 0.00 0.00 178.16 177.98 1nkl h PHE 3 N 0.48 0.93 0.67 -3.82 0.04 -1.83 -3.00 116.94 110.40 1nkl h PHE 3 Ca 0.58 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 61.35 1nkl h PHE 3 Cb 1.33 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 39.20 1nkl h PHE 3 CO -0.00 0.14 -0.37 0.00 -0.60 0.00 0.00 178.31 177.47 1nkl h GLU 5 N -0.97 0.20 -0.42 0.00 4.22 -1.73 0.51 114.58 116.40 1nkl h GLU 5 Ca -0.09 -0.04 0.09 0.00 0.08 0.00 0.00 59.36 59.40 1nkl h GLU 5 Cb 0.77 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.89 1nkl h GLU 5 CO 0.11 0.30 -0.26 0.77 -2.18 0.00 0.00 179.01 177.75 1nkl h SER 6 N 0.06 -0.86 -0.27 1.04 0.02 -1.44 0.15 113.55 112.26 1nkl h SER 6 Ca 0.05 0.18 0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1nkl h SER 6 Cb 0.17 0.44 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1nkl h SER 6 CO -0.00 -0.27 0.12 0.00 -1.14 0.00 0.00 176.83 175.54 1nkl h ARG 8 N 0.27 -0.07 -0.66 0.00 1.12 0.01 0.41 114.38 115.46 1nkl h ARG 8 Ca 0.11 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.91 1nkl h ARG 8 Cb 0.04 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 29.99 1nkl h ARG 8 CO -0.09 -0.05 0.12 -0.22 -3.11 0.00 0.00 179.97 176.63 1nkl h LYS 9 N -0.07 1.07 0.35 0.20 3.64 -0.26 0.14 116.57 121.64 1nkl h LYS 9 Ca 0.16 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1nkl h LYS 9 Cb 0.31 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1nkl h LYS 9 CO -0.36 0.97 -0.21 0.82 -2.27 0.00 0.00 179.45 178.40 1nkl h ILE 10 N 1.01 0.57 -0.32 2.00 2.04 -0.40 -1.83 117.51 120.58 1nkl h ILE 10 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1nkl h ILE 10 Cb 0.41 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1nkl h ILE 10 CO 0.01 0.00 0.21 0.40 0.00 0.00 0.00 178.15 178.76 1nkl h ILE 11 N -0.53 1.09 -0.34 -0.67 1.08 -0.76 -2.92 117.51 114.46 1nkl h ILE 11 Ca -0.04 -0.18 0.04 0.00 -0.39 0.00 0.00 64.86 64.30 1nkl h ILE 11 Cb 0.43 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 34.78 1nkl h ILE 11 CO 0.04 0.09 0.09 1.56 -0.69 0.00 0.00 178.15 179.24 1nkl h GLN 12 N 0.42 0.21 0.00 2.37 1.08 -0.43 0.22 115.11 118.98 1nkl h GLN 12 Ca 0.12 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.23 1nkl h GLN 12 Cb -0.03 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1nkl h GLN 12 CO -0.02 0.14 -0.37 -0.22 -0.95 0.00 0.00 178.83 177.41 1nkl h LYS 13 N 0.22 0.00 0.10 1.46 1.63 -1.36 -0.22 116.57 118.40 1nkl h LYS 13 Ca 0.16 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 1nkl h LYS 13 Cb 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1nkl h LYS 13 CO -0.18 0.37 -0.05 1.25 -3.45 0.00 0.00 179.45 177.38 1nkl h LEU 14 N 0.00 -0.12 -0.26 5.20 5.85 -1.00 -2.48 115.31 122.50 1nkl h LEU 14 Ca -0.00 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.50 1nkl h LEU 14 Cb 0.73 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1nkl h LEU 14 CO 0.05 0.19 0.06 -0.08 -0.34 0.00 0.00 178.44 178.32 1nkl h GLU 15 N -0.43 0.15 -0.23 1.25 4.81 -0.44 0.13 114.58 119.83 1nkl h GLU 15 Ca -0.01 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.26 1nkl h GLU 15 Cb 0.36 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1nkl h GLU 15 CO 0.02 0.10 -0.12 0.22 -0.73 0.00 0.00 179.01 178.50 1nkl h ASP 16 N 0.16 -0.41 0.01 1.04 1.82 -1.12 -0.97 116.42 116.94 1nkl h ASP 16 Ca 0.12 0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.85 1nkl h ASP 16 Cb 0.12 0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.35 1nkl h ASP 16 CO -0.15 -0.16 -0.01 0.24 -1.61 0.00 0.00 179.24 177.55 1nkl h MET 17 N -0.10 -0.01 -0.13 0.28 2.86 -0.94 -3.24 114.93 113.65 1nkl h MET 17 Ca 0.13 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1nkl h MET 17 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1nkl h MET 17 CO -0.29 0.77 -0.03 -0.24 1.06 0.00 0.00 176.91 178.18 1nkl h VAL 18 N -0.84 1.10 -0.10 -2.22 3.04 -0.82 -3.49 116.25 112.92 1nkl h VAL 18 Ca -0.00 -0.41 0.01 0.00 -1.01 0.00 0.00 66.70 65.29 1nkl h VAL 18 Cb 0.79 1.04 -0.00 0.00 -2.01 0.00 0.00 31.29 31.11 1nkl h VAL 18 CO 0.00 0.13 -0.01 0.61 -1.01 0.00 0.00 177.57 177.30 1nkl n GLY 19 N -1.21 -2.12 3.80 3.17 0.00 -0.37 -4.70 105.19 103.75 1nkl n GLY 19 Ca -0.01 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.33 2.52 -0.93 1.61 0.04 -1.26 -4.20 135.00 132.45 1nkl s PRO 20 Ca 0.00 0.97 -0.25 0.00 0.04 0.00 0.00 61.00 61.76 1nkl s PRO 20 Cb 0.00 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.63 1nkl s PRO 20 CO 0.00 -1.40 0.48 1.04 0.04 0.00 0.00 177.00 177.16 1nkl n GLN 21 N -3.33 -0.43 0.00 4.56 6.02 -1.26 -4.98 117.38 117.95 1nkl n GLN 21 Ca 0.08 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1nkl n GLN 21 Cb 0.54 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 30.14 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 -4.06 -0.01 -4.02 -1.09 -0.04 -1.26 -5.11 135.00 119.42 1nkl n PRO 22 Ca -0.09 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.26 1nkl n PRO 22 Cb 0.43 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.77 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 -1.14 0.50 0.35 3.54 4.22 -1.26 -4.97 114.94 116.18 1nkl s ASN 23 Ca 0.00 -0.48 0.15 0.00 -2.14 0.00 0.00 52.86 50.39 1nkl s ASN 23 Cb 0.00 0.06 1.14 0.00 1.28 0.00 0.00 41.25 43.74 1nkl s ASN 23 CO 0.00 -0.23 1.59 -0.08 -2.04 0.00 0.00 177.10 176.34 1nkl h GLU 24 N 4.72 0.06 0.15 3.55 4.57 -1.99 -1.10 114.58 124.54 1nkl h GLU 24 Ca -0.33 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.84 1nkl h GLU 24 Cb 1.21 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1nkl h GLU 24 CO 0.42 0.04 -0.07 0.22 -1.18 0.00 0.00 179.01 178.43 1nkl h ASP 25 N 0.06 -0.18 -0.97 1.04 3.58 -1.99 -2.56 116.42 115.42 1nkl h ASP 25 Ca 0.76 -0.37 0.07 0.00 0.42 0.00 0.00 57.03 57.91 1nkl h ASP 25 Cb 1.88 0.05 -0.06 0.00 1.72 0.00 0.00 39.33 42.91 1nkl h ASP 25 CO -0.77 0.37 0.63 0.74 -2.88 0.00 0.00 179.24 177.33 1nkl h THR 26 N -0.83 1.07 -0.11 2.25 2.02 -1.67 0.15 112.91 115.79 1nkl h THR 26 Ca -0.02 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1nkl h THR 26 Cb 0.53 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1nkl h THR 26 CO 0.03 0.20 0.04 0.58 0.37 0.00 0.00 175.52 176.75 1nkl h VAL 27 N 1.11 1.17 -0.15 3.16 2.07 -1.38 0.10 116.25 122.34 1nkl h VAL 27 Ca 0.42 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1nkl h VAL 27 Cb 0.19 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1nkl h VAL 27 CO -0.16 0.15 -0.11 0.74 0.02 0.00 0.00 177.57 178.21 1nkl h THR 28 N 0.00 0.68 0.03 2.57 2.02 -0.39 0.74 112.91 118.57 1nkl h THR 28 Ca 0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1nkl h THR 28 Cb 0.20 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1nkl h THR 28 CO -0.00 0.00 -0.02 0.06 0.37 0.00 0.00 175.52 175.93 1nkl h GLN 29 N -0.12 -0.04 0.00 6.66 3.07 -0.86 -2.07 115.11 121.74 1nkl h GLN 29 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.82 1nkl h GLN 29 Cb 0.25 0.01 -0.00 0.00 0.08 0.00 0.00 27.48 27.82 1nkl h GLN 29 CO -0.22 0.40 -0.08 0.00 0.09 0.00 0.00 178.83 179.02 1nkl h ALA 30 N 0.45 1.80 0.02 0.06 0.00 -0.68 -1.76 119.26 119.15 1nkl h ALA 30 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1nkl h ALA 30 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1nkl h ALA 30 CO 0.01 0.10 -0.12 0.00 0.00 0.00 0.00 179.25 179.24 1nkl h ALA 31 N 1.92 -0.01 -0.25 0.00 0.00 -0.86 0.47 119.26 120.53 1nkl h ALA 31 Ca -0.00 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.44 1nkl h ALA 31 Cb 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1nkl h ALA 31 CO 0.01 0.04 0.17 0.66 0.00 0.00 0.00 179.25 180.14 1nkl h SER 32 N -0.87 0.12 0.86 0.00 4.64 -1.09 -0.82 113.55 116.39 1nkl h SER 32 Ca -0.02 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1nkl h SER 32 Cb 1.06 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1nkl h SER 32 CO 0.02 0.08 -0.94 0.00 -0.87 0.00 0.00 176.83 175.12 1nkl n GLN 33 N -4.49 0.49 -0.26 4.77 1.13 -0.69 -3.12 117.38 115.21 1nkl n GLN 33 Ca 0.02 0.09 -0.01 0.00 -1.94 0.00 0.00 57.00 55.16 1nkl n GLN 33 Cb 0.23 -1.75 0.12 0.00 0.11 0.00 0.00 30.24 28.94 1nkl n GLN 33 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 1nkl h VAL 34 N 0.00 0.99 -0.03 5.09 3.04 0.14 0.36 116.25 125.85 1nkl h VAL 34 Ca 0.00 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.41 1nkl h VAL 34 Cb 0.90 0.13 -0.00 0.00 -2.01 0.00 0.00 31.29 30.31 1nkl h VAL 34 CO 0.00 0.14 -0.02 0.00 -1.01 0.00 0.00 177.57 176.69 1nkl h ASP 36 N -0.33 0.45 -0.01 0.00 3.58 -1.34 -2.76 116.42 116.02 1nkl h ASP 36 Ca 0.01 0.10 -0.22 0.00 0.42 0.00 0.00 57.03 57.34 1nkl h ASP 36 Cb 0.45 0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.54 1nkl h ASP 36 CO 0.00 0.18 -0.79 0.50 -2.88 0.00 0.00 179.24 176.26 1nkl h LYS 37 N 0.57 0.67 -6.09 0.28 3.64 -0.79 -3.40 116.57 111.44 1nkl h LYS 37 Ca 0.45 -0.56 -0.50 0.00 -1.27 0.00 0.00 60.65 58.77 1nkl h LYS 37 Cb 0.65 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.54 1nkl h LYS 37 CO -0.38 1.18 1.24 -0.51 -2.27 0.00 0.00 179.45 178.71 1nkl s LEU 38 N -8.24 3.25 0.62 5.20 1.43 -0.18 -4.97 118.68 115.79 1nkl s LEU 38 Ca -0.09 -0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 1nkl s LEU 38 Cb 0.09 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 1nkl s LEU 38 CO 0.89 -2.21 1.03 -1.59 0.23 0.00 0.00 176.35 174.71 1nkl s LYS 39 N 6.58 3.42 0.00 1.70 -2.85 -1.26 -1.29 119.74 126.04 1nkl s LYS 39 Ca 0.57 0.90 0.00 0.00 -1.00 0.00 0.00 55.97 56.44 1nkl s LYS 39 Cb -0.11 -2.06 0.00 0.00 -2.06 0.00 0.00 37.83 33.61 1nkl s LYS 39 CO 0.17 -0.71 0.00 -0.89 0.10 0.00 0.00 175.35 174.02 1nkl n ILE 40 N -2.58 0.00 1.64 3.79 2.08 -1.26 -4.40 119.36 118.62 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 0.54 0.00 0.17 0.00 -0.75 0.00 0.00 39.64 39.60 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 0.64 -0.31 1.39 -0.00 -1.22 -3.64 117.00 113.86 1nkl n LEU 41 Ca 0.00 -0.31 0.02 0.00 -0.00 0.00 0.00 56.01 55.72 1nkl n LEU 41 Cb 0.00 -0.07 0.21 0.00 -0.00 0.00 0.00 43.42 43.56 1nkl n LEU 41 CO 0.00 0.15 1.26 -0.09 -0.00 0.00 0.00 177.39 178.71 1nkl h ARG 42 N 0.74 1.08 0.16 1.96 2.43 -1.32 -2.71 114.38 116.72 1nkl h ARG 42 Ca 0.00 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1nkl h ARG 42 Cb 0.17 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1nkl h ARG 42 CO 0.00 0.72 -0.08 0.78 -1.51 0.00 0.00 179.97 179.88 1nkl h GLY 43 N 1.12 -0.22 0.82 2.80 0.00 -1.88 0.85 103.07 106.56 1nkl h GLY 43 Ca 0.36 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 1nkl h GLY 43 CO -0.11 -0.08 -0.33 -2.00 0.00 0.00 0.00 176.54 174.02 1nkl h LEU 44 N -0.24 -0.78 -0.14 3.11 7.12 -1.81 -1.93 115.31 120.64 1nkl h LEU 44 Ca -0.02 -0.01 0.05 0.00 0.13 0.00 0.00 57.88 58.03 1nkl h LEU 44 Cb 0.19 0.20 -0.06 0.00 -0.53 0.00 0.00 40.66 40.46 1nkl h LEU 44 CO 0.04 -0.45 -0.27 0.00 -0.13 0.00 0.00 178.44 177.63 1nkl h LYS 46 N -0.34 1.02 -0.16 0.00 1.57 -0.80 0.35 116.57 118.21 1nkl h LYS 46 Ca 0.10 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1nkl h LYS 46 Cb 0.49 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1nkl h LYS 46 CO -0.33 0.67 0.09 -0.22 -0.57 0.00 0.00 179.45 179.10 1nkl h LYS 47 N 1.05 0.22 0.14 3.15 1.63 -0.64 0.49 116.57 122.61 1nkl h LYS 47 Ca 0.37 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 60.16 1nkl h LYS 47 Cb 0.12 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 1nkl h LYS 47 CO -0.12 0.21 -0.34 0.82 -3.45 0.00 0.00 179.45 176.57 1nkl h ILE 48 N 0.17 0.28 0.17 2.00 1.08 0.14 -0.98 117.51 120.37 1nkl h ILE 48 Ca 0.06 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.52 1nkl h ILE 48 Cb 0.05 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 34.08 1nkl h ILE 48 CO -0.01 0.00 -0.09 0.24 -0.69 0.00 0.00 178.15 177.60 1nkl h MET 49 N -0.58 -0.23 -0.48 2.37 2.86 -0.96 0.15 114.93 118.05 1nkl h MET 49 Ca 0.02 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.76 1nkl h MET 49 Cb 0.61 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1nkl h MET 49 CO -0.19 -0.15 0.33 -0.09 1.06 0.00 0.00 176.91 177.86 1nkl h ARG 50 N -0.24 0.33 0.10 1.72 1.12 -0.66 0.17 114.38 116.92 1nkl h ARG 50 Ca -0.02 -0.02 -0.28 0.00 -1.11 0.00 0.00 59.98 58.55 1nkl h ARG 50 Cb 0.19 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.07 1nkl h ARG 50 CO 0.03 0.22 -1.40 1.03 -3.11 0.00 0.00 179.97 176.74 1nkl h SER 51 N 0.34 0.32 -0.33 -3.80 0.87 -0.71 -3.42 113.55 106.82 1nkl h SER 51 Ca 0.22 -0.41 -0.22 0.00 -1.23 0.00 0.00 61.79 60.14 1nkl h SER 51 Cb 0.42 -0.11 -0.37 0.00 -0.44 0.00 0.00 62.40 61.91 1nkl h SER 51 CO -0.05 1.34 -1.00 0.49 -0.53 0.00 0.00 176.83 177.07 1nkl n PHE 52 N -3.43 0.73 0.37 2.24 3.72 0.49 -5.01 117.46 116.58 1nkl n PHE 52 Ca -0.12 -1.89 -0.18 0.00 -0.05 0.00 0.00 57.45 55.20 1nkl n PHE 52 Cb 1.03 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 39.47 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 2.22 -1.07 -1.82 4.37 5.85 -0.86 -0.30 115.31 123.70 1nkl h LEU 53 Ca -0.19 0.06 0.15 0.00 0.84 0.00 0.00 57.88 58.74 1nkl h LEU 53 Cb 1.34 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.65 1nkl h LEU 53 CO 0.12 -0.65 0.43 -0.09 -0.34 0.00 0.00 178.44 177.92 1nkl h ARG 54 N -1.03 0.17 -0.10 1.25 9.65 -1.95 -0.32 114.38 122.04 1nkl h ARG 54 Ca -0.08 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.75 1nkl h ARG 54 Cb 0.84 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1nkl h ARG 54 CO 0.08 0.11 -0.06 0.00 2.80 0.00 0.00 179.97 182.90 1nkl h ARG 55 N 0.18 0.23 -0.27 0.20 2.47 -1.64 -2.11 114.38 113.43 1nkl h ARG 55 Ca 0.30 -0.11 0.07 0.00 -1.26 0.00 0.00 59.98 58.99 1nkl h ARG 55 Cb 0.94 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.25 1nkl h ARG 55 CO -0.05 0.60 0.20 0.82 0.56 0.00 0.00 179.97 182.09 1nkl h ILE 56 N -0.15 0.88 0.31 2.04 1.08 0.56 0.10 117.51 122.33 1nkl h ILE 56 Ca 0.02 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.47 1nkl h ILE 56 Cb 0.54 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 1nkl h ILE 56 CO 0.02 0.00 -0.15 -1.28 -0.69 0.00 0.00 178.15 176.05 1nkl h SER 57 N 0.03 -0.36 -0.75 1.72 0.87 -1.18 -2.35 113.55 111.53 1nkl h SER 57 Ca 0.13 -0.18 0.16 0.00 -1.23 0.00 0.00 61.79 60.67 1nkl h SER 57 Cb 0.48 0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 62.40 1nkl h SER 57 CO -0.01 0.05 -0.07 -0.25 -0.53 0.00 0.00 176.83 176.03 1nkl h TRP 58 N -0.84 -0.19 -0.14 2.24 7.01 -0.58 0.45 115.95 123.89 1nkl h TRP 58 Ca -0.04 0.06 0.05 0.00 2.11 0.00 0.00 58.89 61.06 1nkl h TRP 58 Cb 0.52 0.20 -0.06 0.00 -2.10 0.00 0.00 29.16 27.72 1nkl h TRP 58 CO 0.03 -0.28 -0.35 -0.44 -2.79 0.00 0.00 178.44 174.62 1nkl h ASP 59 N 0.06 -1.08 -0.20 2.65 3.45 -0.76 0.64 116.42 121.17 1nkl h ASP 59 Ca 0.39 0.15 -0.00 0.00 0.43 0.00 0.00 57.03 58.00 1nkl h ASP 59 Cb 0.66 0.46 -0.01 0.00 -0.56 0.00 0.00 39.33 39.88 1nkl h ASP 59 CO -0.71 -0.38 0.11 0.40 -1.57 0.00 0.00 179.24 177.10 1nkl h ILE 60 N -0.42 1.11 -0.51 0.35 1.08 -0.73 -2.10 117.51 116.30 1nkl h ILE 60 Ca 0.09 -0.30 0.02 0.00 -0.39 0.00 0.00 64.86 64.28 1nkl h ILE 60 Cb 0.57 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 35.24 1nkl h ILE 60 CO -0.37 0.11 0.34 -0.07 -0.69 0.00 0.00 178.15 177.46 1nkl h LEU 61 N 0.22 0.55 -0.72 1.44 3.38 -0.50 0.15 115.31 119.82 1nkl h LEU 61 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1nkl h LEU 61 Cb 0.08 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1nkl h LEU 61 CO -0.01 0.39 0.00 0.35 0.09 0.00 0.00 178.44 179.26 1nkl n THR 62 N -4.47 0.14 -4.35 0.22 -2.24 0.18 -4.89 114.28 98.87 1nkl n THR 62 Ca 0.05 -0.09 -0.33 0.00 -2.27 0.00 0.00 64.05 61.41 1nkl n THR 62 Cb 0.09 -0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 67.99 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 0.30 -0.18 3.82 3.38 0.00 0.54 -4.91 105.19 108.14 1nkl n GLY 63 Ca 0.02 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -7.34 4.13 0.70 1.61 2.20 -0.79 -5.04 119.74 115.22 1nkl s LYS 64 Ca 0.16 0.68 -0.12 0.00 -0.36 0.00 0.00 55.97 56.32 1nkl s LYS 64 Cb -0.09 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 33.21 1nkl s LYS 64 CO 1.00 0.52 1.08 0.15 -0.36 0.00 0.00 175.35 177.74 1nkl s LYS 65 N -1.64 2.70 0.04 4.03 3.01 -1.26 -4.74 119.74 121.88 1nkl s LYS 65 Ca 0.36 1.16 -0.25 0.00 -1.01 0.00 0.00 55.97 56.23 1nkl s LYS 65 Cb -0.17 -1.95 -0.17 0.00 -1.01 0.00 0.00 37.83 34.52 1nkl s LYS 65 CO 0.20 -1.30 1.48 -1.00 0.51 0.00 0.00 175.35 175.24 1nkl h PRO 66 N -0.56 -0.13 -0.78 -1.68 0.13 -1.96 0.96 132.00 127.98 1nkl h PRO 66 Ca -0.45 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 64.81 1nkl h PRO 66 Cb 1.23 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 1nkl h PRO 66 CO 0.54 0.11 0.51 0.37 -0.23 0.00 0.00 178.00 179.30 1nkl h GLN 67 N -0.36 0.60 0.13 0.86 -0.00 -1.93 -1.94 115.11 112.47 1nkl h GLN 67 Ca -0.01 -0.04 -0.26 0.00 -0.00 0.00 0.00 58.65 58.34 1nkl h GLN 67 Cb 0.30 -0.14 0.03 0.00 0.00 0.00 0.00 27.48 27.67 1nkl h GLN 67 CO 0.02 0.40 -1.10 0.00 0.00 0.00 0.00 178.83 178.15 1nkl h ALA 68 N 1.62 -0.04 -0.39 3.38 0.00 -1.78 -2.98 119.26 119.07 1nkl h ALA 68 Ca 0.37 -0.74 0.08 0.00 0.00 0.00 0.00 54.91 54.62 1nkl h ALA 68 Cb 0.59 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1nkl h ALA 68 CO -0.14 0.58 -0.08 0.82 0.00 0.00 0.00 179.25 180.43 1nkl h ILE 69 N 0.08 0.63 -0.84 0.00 2.04 -0.29 0.20 117.51 119.32 1nkl h ILE 69 Ca -0.17 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1nkl h ILE 69 Cb 1.81 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 1nkl h ILE 69 CO 0.21 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.82 1nkl h VAL 71 N 1.17 1.28 0.04 0.00 2.07 -1.23 0.29 116.25 119.87 1nkl h VAL 71 Ca 0.29 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 66.08 1nkl h VAL 71 Cb 0.03 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1nkl h VAL 71 CO -0.05 0.57 -0.47 -0.78 0.02 0.00 0.00 177.57 176.87 1nkl h ASP 72 N 0.65 -1.41 -0.04 0.57 3.58 -0.30 -2.30 116.42 117.16 1nkl h ASP 72 Ca 0.01 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1nkl h ASP 72 Cb 1.17 0.54 0.00 0.00 1.72 0.00 0.00 39.33 42.76 1nkl h ASP 72 CO 0.12 -0.50 0.00 2.30 -2.88 0.00 0.00 179.24 178.28 1nkl n ILE 73 N -5.47 0.03 -2.97 2.25 -5.35 -0.90 -4.97 119.36 101.98 1nkl n ILE 73 Ca -0.07 -0.24 -0.07 0.00 -0.27 0.00 0.00 62.75 62.10 1nkl n ILE 73 Cb 0.39 0.37 0.01 0.00 -1.74 0.00 0.00 39.64 38.67 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 0.07 -2.00 -0.00 6.28 4.81 -0.87 -5.00 118.16 121.45 1nkl n LYS 74 Ca 0.19 1.86 0.00 0.00 -0.87 0.00 0.00 58.31 59.50 1nkl n LYS 74 Cb 0.32 -5.47 -0.01 0.00 0.02 0.00 0.00 35.03 29.90 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 -0.83 0.00 0.08 3.15 5.41 0.92 -4.74 119.36 123.35 1nkl n ILE 75 Ca 0.06 -0.12 -0.03 0.00 1.00 0.00 0.00 62.75 63.66 1nkl n ILE 75 Cb 0.49 0.60 -0.06 0.00 -0.71 0.00 0.00 39.64 39.95 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 -3.22 -2.51 0.00 0.00 3.00 -1.26 -0.08 118.16 114.09 1nkl n LYS 77 Ca -0.02 2.16 0.00 0.00 -0.00 0.00 0.00 58.31 60.45 1nkl n LYS 77 Cb 0.86 -5.18 0.00 0.00 0.00 0.00 0.00 35.03 30.71 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79