#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 -1.11 1.61 3.20 -1.92 -1.70 116.97 117.34 1nkl h TYR 2 Ca 0.00 0.01 0.43 0.00 3.14 0.00 0.00 58.73 62.31 1nkl h TYR 2 Cb 0.00 -0.09 -0.16 0.00 1.54 0.00 0.00 36.73 38.02 1nkl h TYR 2 CO 0.00 0.07 0.65 1.19 -1.64 0.00 0.00 178.16 178.43 1nkl n PHE 3 N -4.41 0.96 0.09 -3.82 3.72 -1.26 -0.93 117.46 111.80 1nkl n PHE 3 Ca 0.19 0.97 -0.12 0.00 -0.05 0.00 0.00 57.45 58.44 1nkl n PHE 3 Cb 0.82 -1.38 -0.05 0.00 -0.94 0.00 0.00 39.48 37.93 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 -0.32 0.15 -0.33 0.00 4.22 -1.25 -0.08 114.58 116.97 1nkl h GLU 5 Ca 0.03 -0.03 0.07 0.00 0.08 0.00 0.00 59.36 59.52 1nkl h GLU 5 Cb 0.36 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 1nkl h GLU 5 CO -0.12 0.24 -0.14 0.77 -2.18 0.00 0.00 179.01 177.59 1nkl h SER 6 N 0.02 -0.47 0.19 1.04 0.02 -1.06 0.12 113.55 113.41 1nkl h SER 6 Ca 0.03 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1nkl h SER 6 Cb 0.15 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1nkl h SER 6 CO -0.00 -0.17 -0.11 0.00 -1.14 0.00 0.00 176.83 175.41 1nkl h ARG 8 N -0.29 0.35 -0.05 0.00 1.12 -0.34 0.72 114.38 115.88 1nkl h ARG 8 Ca -0.02 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.83 1nkl h ARG 8 Cb 0.23 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.11 1nkl h ARG 8 CO 0.03 0.23 0.03 -0.22 -3.11 0.00 0.00 179.97 176.93 1nkl h LYS 9 N 0.36 0.08 -0.02 0.20 3.64 -0.52 -0.67 116.57 119.64 1nkl h LYS 9 Ca 0.29 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1nkl h LYS 9 Cb 0.37 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1nkl h LYS 9 CO -0.31 0.18 0.01 0.82 -2.27 0.00 0.00 179.45 177.87 1nkl h ILE 10 N -0.04 1.06 0.66 2.00 2.04 -0.16 0.45 117.51 123.52 1nkl h ILE 10 Ca 0.02 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1nkl h ILE 10 Cb 0.12 1.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1nkl h ILE 10 CO -0.00 0.05 -0.31 0.40 0.00 0.00 0.00 178.15 178.28 1nkl h ILE 11 N -0.05 0.36 -0.88 -0.67 1.08 -0.91 -2.48 117.51 113.95 1nkl h ILE 11 Ca 0.01 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1nkl h ILE 11 Cb 0.07 0.36 -0.05 0.00 -3.07 0.00 0.00 36.82 34.13 1nkl h ILE 11 CO -0.00 0.00 0.58 1.56 -0.69 0.00 0.00 178.15 179.60 1nkl h GLN 12 N -0.89 1.08 0.00 2.37 1.08 -1.00 0.01 115.11 117.76 1nkl h GLN 12 Ca -0.09 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 56.95 1nkl h GLN 12 Cb 0.68 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1nkl h GLN 12 CO 0.15 0.71 -0.46 -0.22 -0.95 0.00 0.00 178.83 178.06 1nkl h LYS 13 N 1.11 0.00 -0.20 1.46 1.63 -0.88 -0.04 116.57 119.66 1nkl h LYS 13 Ca 0.35 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.06 1nkl h LYS 13 Cb 0.01 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1nkl h LYS 13 CO -0.10 0.46 -0.20 1.25 -3.45 0.00 0.00 179.45 177.41 1nkl h LEU 14 N 0.00 0.52 -0.16 5.20 6.46 -0.59 -1.96 115.31 124.78 1nkl h LEU 14 Ca -0.00 -0.48 0.05 0.00 -0.12 0.00 0.00 57.88 57.33 1nkl h LEU 14 Cb 0.91 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.63 1nkl h LEU 14 CO 0.06 0.89 -0.23 -0.08 -0.62 0.00 0.00 178.44 178.47 1nkl h GLU 15 N 0.16 -0.26 -0.40 1.25 4.81 -0.90 0.94 114.58 120.18 1nkl h GLU 15 Ca 0.03 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.39 1nkl h GLU 15 Cb 0.75 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1nkl h GLU 15 CO 0.05 -0.18 0.30 0.22 -0.73 0.00 0.00 179.01 178.67 1nkl h ASP 16 N -0.27 0.00 0.00 1.04 1.82 -1.00 -0.54 116.42 117.47 1nkl h ASP 16 Ca 0.11 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1nkl h ASP 16 Cb 0.44 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.45 1nkl h ASP 16 CO -0.31 0.00 -0.07 0.24 -1.61 0.00 0.00 179.24 177.48 1nkl h MET 17 N 0.00 0.00 -0.53 0.28 2.86 -0.34 -3.39 114.93 113.81 1nkl h MET 17 Ca 0.19 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1nkl h MET 17 Cb 0.78 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 1nkl h MET 17 CO -0.00 0.00 0.23 -0.24 1.06 0.00 0.00 176.91 177.96 1nkl h VAL 18 N -0.87 1.19 0.00 -2.22 3.04 -0.85 -3.48 116.25 113.06 1nkl h VAL 18 Ca 0.00 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 1nkl h VAL 18 Cb 0.07 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 1nkl h VAL 18 CO 0.00 0.23 0.00 0.61 -1.01 0.00 0.00 177.57 177.40 1nkl n GLY 19 N -1.13 0.46 3.55 3.17 0.00 -0.21 -4.90 105.19 106.13 1nkl n GLY 19 Ca 0.04 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.59 0.00 1.61 0.04 -1.26 -4.74 135.00 129.06 1nkl s PRO 20 Ca 0.00 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 60.92 1nkl s PRO 20 Cb 0.00 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1nkl s PRO 20 CO 0.00 -3.94 0.00 1.04 0.04 0.00 0.00 177.00 174.14 1nkl n GLN 21 N -4.92 0.00 -0.87 4.56 6.02 -1.26 -4.90 117.38 116.01 1nkl n GLN 21 Ca 0.14 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.09 1nkl n GLN 21 Cb 0.60 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.88 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 0.00 0.36 -4.11 -1.09 -0.04 -1.26 -5.14 135.00 123.72 1nkl n PRO 22 Ca 0.00 -0.48 -0.08 0.00 -0.04 0.00 0.00 63.50 62.90 1nkl n PRO 22 Cb 0.00 -0.14 -0.10 0.00 -0.04 0.00 0.00 33.50 33.22 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 -1.77 0.70 0.34 3.54 2.20 -1.26 -4.98 114.94 113.71 1nkl s ASN 23 Ca 0.12 -0.99 0.14 0.00 -0.94 0.00 0.00 52.86 51.19 1nkl s ASN 23 Cb -0.01 0.16 1.11 0.00 -2.00 0.00 0.00 41.25 40.52 1nkl s ASN 23 CO 0.08 -0.55 1.61 -0.08 -2.94 0.00 0.00 177.10 175.22 1nkl h GLU 24 N 3.12 0.10 0.34 3.55 4.57 -1.99 -0.49 114.58 123.78 1nkl h GLU 24 Ca -0.34 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.81 1nkl h GLU 24 Cb 1.15 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1nkl h GLU 24 CO 0.65 0.07 -0.16 0.22 -1.18 0.00 0.00 179.01 178.60 1nkl h ASP 25 N 0.10 -0.39 -0.64 1.04 3.58 -1.98 -2.47 116.42 115.66 1nkl h ASP 25 Ca 0.74 -0.13 0.06 0.00 0.42 0.00 0.00 57.03 58.12 1nkl h ASP 25 Cb 1.80 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 42.92 1nkl h ASP 25 CO -0.75 0.07 0.42 0.74 -2.88 0.00 0.00 179.24 176.84 1nkl h THR 26 N -1.01 1.01 -0.29 2.25 2.02 -1.69 0.20 112.91 115.41 1nkl h THR 26 Ca -0.05 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.83 1nkl h THR 26 Cb 0.49 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1nkl h THR 26 CO 0.08 0.12 -0.14 0.58 0.37 0.00 0.00 175.52 176.53 1nkl h VAL 27 N 0.65 1.29 -0.19 3.16 2.07 -1.22 -0.63 116.25 121.38 1nkl h VAL 27 Ca 0.27 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1nkl h VAL 27 Cb 0.25 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1nkl h VAL 27 CO -0.08 0.39 0.12 0.74 0.02 0.00 0.00 177.57 178.76 1nkl h THR 28 N 0.36 1.04 -0.10 2.57 2.02 -0.25 0.79 112.91 119.34 1nkl h THR 28 Ca 0.07 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1nkl h THR 28 Cb 0.65 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1nkl h THR 28 CO 0.04 0.05 -0.05 0.06 0.37 0.00 0.00 175.52 175.98 1nkl h GLN 29 N 0.25 0.21 -0.71 6.66 3.07 -0.82 -1.92 115.11 121.84 1nkl h GLN 29 Ca 0.07 -0.09 0.12 0.00 0.09 0.00 0.00 58.65 58.84 1nkl h GLN 29 Cb -0.02 -0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.49 1nkl h GLN 29 CO -0.02 0.57 0.47 0.00 0.09 0.00 0.00 178.83 179.95 1nkl h ALA 30 N 0.63 2.02 -0.10 0.06 0.00 -1.01 0.46 119.26 121.32 1nkl h ALA 30 Ca 0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1nkl h ALA 30 Cb 0.51 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nkl h ALA 30 CO 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 179.25 179.05 1nkl h ALA 31 N 1.65 0.14 -0.58 0.00 0.00 -0.66 0.55 119.26 120.37 1nkl h ALA 31 Ca 0.34 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.19 1nkl h ALA 31 Cb 0.69 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1nkl h ALA 31 CO -0.11 -0.14 0.41 0.66 0.00 0.00 0.00 179.25 180.06 1nkl h SER 32 N -0.11 0.12 1.10 0.00 4.64 -0.12 0.28 113.55 119.46 1nkl h SER 32 Ca 0.03 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1nkl h SER 32 Cb 0.40 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1nkl h SER 32 CO 0.01 0.06 -0.86 1.56 -0.87 0.00 0.00 176.83 176.73 1nkl h GLN 33 N 0.13 0.00 -0.88 4.77 7.50 -1.15 -3.14 115.11 122.34 1nkl h GLN 33 Ca 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.41 1nkl h GLN 33 Cb 0.93 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.42 1nkl h GLN 33 CO -0.03 0.00 0.48 -0.24 -1.50 0.00 0.00 178.83 177.54 1nkl h VAL 34 N 0.00 1.25 -0.08 -0.54 3.04 0.23 0.33 116.25 120.48 1nkl h VAL 34 Ca 0.00 -0.63 -0.02 0.00 -1.01 0.00 0.00 66.70 65.04 1nkl h VAL 34 Cb 0.98 0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.33 1nkl h VAL 34 CO 0.00 0.29 -0.04 0.00 -1.01 0.00 0.00 177.57 176.80 1nkl h ASP 36 N -0.21 0.16 -0.12 0.00 1.82 -1.25 -3.21 116.42 113.62 1nkl h ASP 36 Ca 0.02 0.11 -0.13 0.00 -0.39 0.00 0.00 57.03 56.64 1nkl h ASP 36 Cb 0.50 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1nkl h ASP 36 CO 0.01 0.07 -0.42 0.50 -1.61 0.00 0.00 179.24 177.79 1nkl h LYS 37 N 0.37 0.49 -5.65 0.28 3.64 -0.24 -3.22 116.57 112.24 1nkl h LYS 37 Ca 0.36 -0.37 -0.69 0.00 -1.27 0.00 0.00 60.65 58.68 1nkl h LYS 37 Cb 0.53 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.33 1nkl h LYS 37 CO -0.39 1.00 2.11 1.28 -2.27 0.00 0.00 179.45 181.18 1nkl n LEU 38 N -4.29 5.03 -4.85 5.20 4.77 0.48 -4.98 117.00 118.36 1nkl n LEU 38 Ca -0.08 -4.01 -0.30 0.00 -0.03 0.00 0.00 56.01 51.60 1nkl n LEU 38 Cb 0.55 -1.73 0.07 0.00 -2.33 0.00 0.00 43.42 39.98 1nkl n LEU 38 CO 0.45 0.26 0.73 -1.59 -1.33 0.00 0.00 177.39 175.91 1nkl s LYS 39 N 3.81 2.49 0.00 3.23 0.00 -1.22 -1.64 119.74 126.42 1nkl s LYS 39 Ca 0.52 0.54 0.00 0.00 0.00 0.00 0.00 55.97 57.03 1nkl s LYS 39 Cb 0.03 -1.97 0.00 0.00 0.00 0.00 0.00 37.83 35.89 1nkl s LYS 39 CO 0.06 -1.31 0.00 -0.89 0.00 0.00 0.00 175.35 173.22 1nkl n ILE 40 N -3.20 0.00 1.63 3.79 5.41 -1.26 -4.36 119.36 121.36 1nkl n ILE 40 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.85 1nkl n ILE 40 Cb 0.57 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.63 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 0.65 -0.32 1.39 7.94 -1.23 -3.89 117.00 121.54 1nkl n LEU 41 Ca 0.00 -0.32 0.02 0.00 -1.11 0.00 0.00 56.01 54.60 1nkl n LEU 41 Cb 0.00 -0.07 0.19 0.00 0.53 0.00 0.00 43.42 44.07 1nkl n LEU 41 CO 0.00 0.16 1.26 -0.09 -1.11 0.00 0.00 177.39 177.61 1nkl h ARG 42 N 0.74 1.11 0.23 1.96 2.43 -1.51 -0.42 114.38 118.92 1nkl h ARG 42 Ca 0.00 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1nkl h ARG 42 Cb 0.17 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1nkl h ARG 42 CO 0.00 0.74 -0.11 0.78 -1.51 0.00 0.00 179.97 179.87 1nkl h GLY 43 N 1.15 -0.32 0.81 2.80 0.00 -1.88 -0.96 103.07 104.66 1nkl h GLY 43 Ca 0.37 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 1nkl h GLY 43 CO -0.12 -0.12 0.02 -2.00 0.00 0.00 0.00 176.54 174.33 1nkl h LEU 44 N -0.35 0.13 -0.30 3.11 6.46 -1.68 -0.90 115.31 121.78 1nkl h LEU 44 Ca -0.03 -0.22 0.06 0.00 -0.12 0.00 0.00 57.88 57.57 1nkl h LEU 44 Cb 0.27 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.08 1nkl h LEU 44 CO 0.05 0.32 -0.39 0.00 -0.62 0.00 0.00 178.44 177.80 1nkl h LYS 46 N -0.36 1.10 -0.87 0.00 1.57 -0.94 -0.64 116.57 116.42 1nkl h LYS 46 Ca 0.12 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1nkl h LYS 46 Cb 0.58 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1nkl h LYS 46 CO -0.50 0.76 0.45 -0.22 -0.57 0.00 0.00 179.45 179.37 1nkl h LYS 47 N 1.12 1.23 0.42 3.15 3.11 -0.21 -0.03 116.57 125.36 1nkl h LYS 47 Ca 0.29 -0.16 -0.01 0.00 -2.81 0.00 0.00 60.65 57.96 1nkl h LYS 47 Cb -0.07 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 30.92 1nkl h LYS 47 CO -0.06 0.92 -0.31 0.82 -2.81 0.00 0.00 179.45 178.01 1nkl h ILE 48 N 1.22 0.36 -0.68 2.00 1.08 0.28 -2.56 117.51 119.22 1nkl h ILE 48 Ca 0.30 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.80 1nkl h ILE 48 Cb 0.07 0.36 -0.04 0.00 -3.07 0.00 0.00 36.82 34.14 1nkl h ILE 48 CO -0.04 0.00 0.43 0.24 -0.69 0.00 0.00 178.15 178.08 1nkl h MET 49 N -0.72 0.82 -0.87 2.37 2.86 -0.93 0.30 114.93 118.75 1nkl h MET 49 Ca -0.04 -0.05 0.14 0.00 -2.06 0.00 0.00 59.70 57.69 1nkl h MET 49 Cb 0.62 -0.18 -0.07 0.00 0.06 0.00 0.00 31.60 32.02 1nkl h MET 49 CO 0.01 0.54 0.56 -0.09 1.06 0.00 0.00 176.91 178.99 1nkl h ARG 50 N 0.84 0.66 0.00 1.72 9.65 -0.89 0.19 114.38 126.55 1nkl h ARG 50 Ca 0.27 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 1nkl h ARG 50 Cb 0.00 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.43 1nkl h ARG 50 CO -0.10 0.44 -1.14 0.45 2.80 0.00 0.00 179.97 182.42 1nkl n SER 51 N -4.55 0.62 -2.52 -3.80 2.88 -0.36 -4.68 113.62 101.22 1nkl n SER 51 Ca 0.17 0.07 -0.02 0.00 -1.33 0.00 0.00 58.87 57.76 1nkl n SER 51 Cb 0.45 0.79 0.09 0.00 -0.75 0.00 0.00 64.21 64.79 1nkl n SER 51 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1nkl n PHE 52 N -2.31 -1.08 0.23 0.66 3.72 0.92 -5.03 117.46 114.57 1nkl n PHE 52 Ca 0.00 -1.67 -0.10 0.00 -0.05 0.00 0.00 57.45 55.64 1nkl n PHE 52 Cb 0.50 1.02 -0.05 0.00 -0.94 0.00 0.00 39.48 40.01 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 1.27 -0.61 -1.91 4.37 6.46 -0.81 0.93 115.31 125.00 1nkl h LEU 53 Ca -0.38 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.38 1nkl h LEU 53 Cb 1.32 0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 41.42 1nkl h LEU 53 CO -0.11 -0.39 -0.12 -0.09 -0.62 0.00 0.00 178.44 177.11 1nkl h ARG 54 N -0.63 0.00 -0.22 1.25 1.12 -1.97 -1.33 114.38 112.61 1nkl h ARG 54 Ca -0.06 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.79 1nkl h ARG 54 Cb 0.50 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.45 1nkl h ARG 54 CO 0.07 0.12 0.07 0.00 -3.11 0.00 0.00 179.97 177.12 1nkl h ARG 55 N 0.00 0.34 0.00 0.20 3.08 -1.81 -0.97 114.38 115.22 1nkl h ARG 55 Ca -0.00 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1nkl h ARG 55 Cb 0.33 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1nkl h ARG 55 CO 0.02 0.44 -0.03 0.82 -1.07 0.00 0.00 179.97 180.15 1nkl h ILE 56 N 0.18 0.85 0.37 2.04 1.08 0.34 0.40 117.51 122.77 1nkl h ILE 56 Ca 0.07 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 1nkl h ILE 56 Cb 0.24 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 1nkl h ILE 56 CO -0.00 0.02 -0.18 -1.28 -0.69 0.00 0.00 178.15 176.02 1nkl h SER 57 N 0.00 -0.42 -0.71 1.72 0.87 -1.15 -2.03 113.55 111.83 1nkl h SER 57 Ca -0.00 -0.14 0.14 0.00 -1.23 0.00 0.00 61.79 60.56 1nkl h SER 57 Cb 0.05 0.11 -0.13 0.00 -0.44 0.00 0.00 62.40 61.98 1nkl h SER 57 CO 0.00 -0.02 -0.16 -0.25 -0.53 0.00 0.00 176.83 175.87 1nkl h TRP 58 N -0.92 -0.35 0.14 2.24 7.01 -0.52 0.16 115.95 123.72 1nkl h TRP 58 Ca -0.05 0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.02 1nkl h TRP 58 Cb 0.54 0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 27.82 1nkl h TRP 58 CO 0.03 -0.30 -0.51 -0.44 -2.79 0.00 0.00 178.44 174.42 1nkl h ASP 59 N 0.01 -1.54 -0.70 2.65 3.32 -0.88 -0.09 116.42 119.20 1nkl h ASP 59 Ca 0.35 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.54 1nkl h ASP 59 Cb 0.53 0.56 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1nkl h ASP 59 CO -0.72 -0.55 0.39 0.40 -1.72 0.00 0.00 179.24 177.04 1nkl h ILE 60 N -0.75 1.21 -0.97 0.35 5.03 -0.88 -1.64 117.51 119.86 1nkl h ILE 60 Ca -0.01 -0.52 0.00 0.00 -0.12 0.00 0.00 64.86 64.21 1nkl h ILE 60 Cb 0.74 0.28 -0.05 0.00 -3.03 0.00 0.00 36.82 34.77 1nkl h ILE 60 CO -0.26 0.23 0.61 -0.07 -0.68 0.00 0.00 178.15 177.98 1nkl h LEU 61 N 0.96 1.14 0.00 1.44 3.38 -0.34 0.85 115.31 122.74 1nkl h LEU 61 Ca 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1nkl h LEU 61 Cb 0.02 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1nkl h LEU 61 CO -0.04 0.86 0.00 0.35 0.09 0.00 0.00 178.44 179.70 1nkl n THR 62 N -4.36 0.00 -4.33 0.22 -2.24 -0.08 -4.89 114.28 98.60 1nkl n THR 62 Ca 0.11 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.57 1nkl n THR 62 Cb 0.04 -0.04 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 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 0.51 -0.18 3.82 3.38 0.00 0.29 -4.90 105.19 108.11 1nkl n GLY 63 Ca 0.01 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 4.18 0.70 1.61 2.20 -0.62 -5.00 119.74 115.51 1nkl s LYS 64 Ca 0.15 0.74 -0.12 0.00 -0.36 0.00 0.00 55.97 56.38 1nkl s LYS 64 Cb -0.09 -3.01 0.02 0.00 -1.51 0.00 0.00 37.83 33.24 1nkl s LYS 64 CO 1.00 0.50 1.08 0.15 -0.36 0.00 0.00 175.35 177.71 1nkl s LYS 65 N -1.69 2.70 0.03 4.03 -0.14 -1.26 -4.75 119.74 118.66 1nkl s LYS 65 Ca 0.37 1.16 -0.28 0.00 -1.36 0.00 0.00 55.97 55.87 1nkl s LYS 65 Cb -0.17 -1.95 -0.17 0.00 -1.68 0.00 0.00 37.83 33.86 1nkl s LYS 65 CO 0.20 -1.30 1.36 -1.00 -0.76 0.00 0.00 175.35 173.85 1nkl h PRO 66 N -0.55 -0.61 0.00 -1.68 0.13 -1.94 0.01 132.00 127.35 1nkl h PRO 66 Ca -0.45 0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1nkl h PRO 66 Cb 1.23 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 1nkl h PRO 66 CO 0.54 -0.32 -0.02 0.37 -0.23 0.00 0.00 178.00 178.34 1nkl h GLN 67 N -0.85 0.00 0.05 0.86 4.15 -1.94 -0.79 115.11 116.59 1nkl h GLN 67 Ca -0.07 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 1nkl h GLN 67 Cb 0.58 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.28 1nkl h GLN 67 CO 0.11 0.02 -0.40 0.00 -1.93 0.00 0.00 178.83 176.63 1nkl h ALA 68 N 1.98 -0.02 -0.52 3.38 0.00 -1.88 -3.17 119.26 119.03 1nkl h ALA 68 Ca -0.00 -0.56 0.10 0.00 0.00 0.00 0.00 54.91 54.45 1nkl h ALA 68 Cb 0.07 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 1nkl h ALA 68 CO 0.00 0.18 -0.02 0.82 0.00 0.00 0.00 179.25 180.23 1nkl h ILE 69 N -0.57 0.57 -0.72 0.00 2.04 0.37 0.13 117.51 119.32 1nkl h ILE 69 Ca -0.06 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1nkl h ILE 69 Cb 1.25 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1nkl h ILE 69 CO 0.08 0.02 0.48 0.00 0.00 0.00 0.00 178.15 178.72 1nkl h VAL 71 N 0.98 1.31 -0.30 0.00 2.07 -1.29 0.46 116.25 119.48 1nkl h VAL 71 Ca 0.26 -1.54 0.07 0.00 0.82 0.00 0.00 66.70 66.31 1nkl h VAL 71 Cb -0.11 1.73 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 1nkl h VAL 71 CO -0.06 0.48 -0.32 -0.78 0.02 0.00 0.00 177.57 176.92 1nkl h ASP 72 N 0.36 -1.03 -0.05 0.57 1.82 -0.55 -1.78 116.42 115.76 1nkl h ASP 72 Ca 0.02 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1nkl h ASP 72 Cb 0.93 0.47 0.00 0.00 0.68 0.00 0.00 39.33 41.41 1nkl h ASP 72 CO 0.08 -0.33 0.00 2.30 -1.61 0.00 0.00 179.24 179.68 1nkl n ILE 73 N -5.41 0.04 -1.96 2.25 -5.35 -0.67 -5.01 119.36 103.26 1nkl n ILE 73 Ca -0.00 -0.31 -0.01 0.00 -0.27 0.00 0.00 62.75 62.16 1nkl n ILE 73 Cb 0.33 0.61 0.00 0.00 -1.74 0.00 0.00 39.64 38.84 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 0.37 -1.10 0.00 6.28 4.81 -0.67 -5.06 118.16 122.79 1nkl n LYS 74 Ca 0.18 1.23 0.00 0.00 -0.87 0.00 0.00 58.31 58.85 1nkl n LYS 74 Cb 0.39 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.65 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 -0.04 0.00 0.00 3.15 2.08 0.15 -4.99 119.36 119.70 1nkl n ILE 75 Ca 0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1nkl n ILE 75 Cb 0.07 -0.05 0.00 0.00 -0.75 0.00 0.00 39.64 38.91 1nkl n ILE 75 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nkl n LYS 77 N -0.03 0.57 0.00 0.00 0.00 -1.26 -0.10 118.16 117.33 1nkl n LYS 77 Ca 0.00 -1.89 0.12 0.00 0.00 0.00 0.00 58.31 56.54 1nkl n LYS 77 Cb 0.00 -1.38 0.69 0.00 0.00 0.00 0.00 35.03 34.35 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79