#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 0.00 -0.86 1.61 3.20 -2.02 -2.90 116.97 115.99 1nkl h TYR 2 Ca 0.00 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.06 1nkl h TYR 2 Cb 0.00 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 38.11 1nkl h TYR 2 CO 0.00 0.00 -0.13 0.74 -1.64 0.00 0.00 178.16 177.13 1nkl h PHE 3 N 0.00 -0.30 -0.11 -3.82 0.04 -1.99 -0.29 116.94 110.48 1nkl h PHE 3 Ca 0.07 0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.91 1nkl h PHE 3 Cb 0.54 0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 1nkl h PHE 3 CO 0.00 -0.36 0.07 0.00 -0.60 0.00 0.00 178.31 177.42 1nkl h GLU 5 N 0.11 0.07 -0.30 0.00 4.22 -1.66 -0.57 114.58 116.45 1nkl h GLU 5 Ca 0.04 -0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.53 1nkl h GLU 5 Cb 0.03 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.20 1nkl h GLU 5 CO -0.01 0.23 -0.24 0.77 -2.18 0.00 0.00 179.01 177.59 1nkl h SER 6 N -0.11 -0.77 -0.21 1.04 0.02 -0.83 0.86 113.55 113.56 1nkl h SER 6 Ca 0.01 0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1nkl h SER 6 Cb 0.19 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1nkl h SER 6 CO -0.00 -0.27 0.08 0.00 -1.14 0.00 0.00 176.83 175.50 1nkl h ARG 8 N 0.18 -0.29 -0.85 0.00 2.43 -0.23 -0.80 114.38 114.80 1nkl h ARG 8 Ca 0.09 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1nkl h ARG 8 Cb 0.05 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1nkl h ARG 8 CO -0.09 -0.20 0.55 -0.22 -1.51 0.00 0.00 179.97 178.51 1nkl h LYS 9 N -0.31 1.13 0.46 0.20 3.64 -0.57 0.13 116.57 121.26 1nkl h LYS 9 Ca 0.04 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1nkl h LYS 9 Cb 0.35 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1nkl h LYS 9 CO -0.13 0.76 -0.30 0.82 -2.27 0.00 0.00 179.45 178.33 1nkl h ILE 10 N 1.16 0.38 0.00 2.00 2.04 -0.36 -0.76 117.51 121.96 1nkl h ILE 10 Ca 0.31 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.17 1nkl h ILE 10 Cb -0.11 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1nkl h ILE 10 CO -0.06 0.00 -0.00 0.40 0.00 0.00 0.00 178.15 178.48 1nkl h ILE 11 N -0.73 1.08 -0.46 -0.67 1.08 -0.97 -2.90 117.51 113.94 1nkl h ILE 11 Ca -0.05 -0.25 0.08 0.00 -0.39 0.00 0.00 64.86 64.25 1nkl h ILE 11 Cb 0.61 1.25 -0.06 0.00 -3.07 0.00 0.00 36.82 35.55 1nkl h ILE 11 CO 0.04 0.06 0.09 1.56 -0.69 0.00 0.00 178.15 179.22 1nkl h GLN 12 N -0.11 0.22 0.00 2.37 1.08 -0.61 0.17 115.11 118.23 1nkl h GLN 12 Ca -0.00 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1nkl h GLN 12 Cb 0.11 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1nkl h GLN 12 CO 0.00 0.15 -0.28 -0.22 -0.95 0.00 0.00 178.83 177.52 1nkl h LYS 13 N 0.23 0.00 0.10 1.46 1.63 -1.13 -0.68 116.57 118.18 1nkl h LYS 13 Ca 0.23 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1nkl h LYS 13 Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1nkl h LYS 13 CO -0.30 0.28 -0.05 1.25 -3.45 0.00 0.00 179.45 177.19 1nkl h LEU 14 N 0.00 -0.11 -0.61 5.20 7.12 -0.92 -3.12 115.31 122.87 1nkl h LEU 14 Ca -0.00 -0.44 0.11 0.00 0.13 0.00 0.00 57.88 57.67 1nkl h LEU 14 Cb 0.54 0.03 -0.08 0.00 -0.53 0.00 0.00 40.66 40.62 1nkl h LEU 14 CO 0.04 0.44 0.18 -0.08 -0.13 0.00 0.00 178.44 178.88 1nkl h GLU 15 N -0.73 0.32 -0.80 1.25 4.81 -0.49 0.15 114.58 119.09 1nkl h GLU 15 Ca -0.01 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1nkl h GLU 15 Cb 0.55 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 1nkl h GLU 15 CO 0.02 0.21 0.50 0.22 -0.73 0.00 0.00 179.01 179.23 1nkl h ASP 16 N 0.33 0.80 0.00 1.04 1.82 -1.25 -1.41 116.42 117.74 1nkl h ASP 16 Ca 0.32 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.95 1nkl h ASP 16 Cb 0.44 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.29 1nkl h ASP 16 CO -0.36 0.53 -0.09 0.24 -1.61 0.00 0.00 179.24 177.95 1nkl h MET 17 N 0.94 0.00 -0.36 0.28 2.86 -0.92 -3.32 114.93 114.41 1nkl h MET 17 Ca 0.34 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.95 1nkl h MET 17 Cb 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1nkl h MET 17 CO -0.15 0.56 0.12 -0.24 1.06 0.00 0.00 176.91 178.26 1nkl h VAL 18 N -1.00 1.15 -0.06 -2.22 3.04 -0.90 -3.49 116.25 112.77 1nkl h VAL 18 Ca -0.02 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1nkl h VAL 18 Cb 0.60 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 1nkl h VAL 18 CO -0.01 0.19 0.00 0.61 -1.01 0.00 0.00 177.57 177.35 1nkl n GLY 19 N -1.16 -1.49 3.78 3.17 0.00 -0.53 -4.82 105.19 104.14 1nkl n GLY 19 Ca 0.02 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 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 1.14 -0.35 1.61 0.04 -1.26 -4.52 135.00 131.66 1nkl s PRO 20 Ca 0.00 0.35 -0.09 0.00 0.04 0.00 0.00 61.00 61.30 1nkl s PRO 20 Cb 0.00 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1nkl s PRO 20 CO 0.00 -2.21 0.20 1.04 0.04 0.00 0.00 177.00 176.08 1nkl n GLN 21 N -3.78 -0.73 0.00 4.56 1.13 -1.26 -4.97 117.38 112.33 1nkl n GLN 21 Ca 0.06 -0.23 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 1nkl n GLN 21 Cb 0.59 -0.21 0.00 0.00 0.11 0.00 0.00 30.24 30.72 1nkl n GLN 21 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1nkl n PRO 22 N -1.99 0.11 -4.01 -1.09 -0.04 -1.26 -5.11 135.00 121.60 1nkl n PRO 22 Ca -0.05 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.29 1nkl n PRO 22 Cb 0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.51 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 -1.03 0.38 0.35 3.54 4.22 -1.26 -4.95 114.94 116.19 1nkl s ASN 23 Ca 0.00 -0.25 0.15 0.00 -2.14 0.00 0.00 52.86 50.62 1nkl s ASN 23 Cb 0.00 0.01 1.15 0.00 1.28 0.00 0.00 41.25 43.69 1nkl s ASN 23 CO 0.00 -0.10 1.60 -0.08 -2.04 0.00 0.00 177.10 176.48 1nkl h GLU 24 N 5.43 0.08 0.46 3.55 4.81 -1.98 -0.92 114.58 126.01 1nkl h GLU 24 Ca -0.29 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1nkl h GLU 24 Cb 1.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1nkl h GLU 24 CO 0.46 0.05 -0.22 0.22 -0.73 0.00 0.00 179.01 178.80 1nkl h ASP 25 N 0.08 -0.52 -0.91 1.04 3.58 -1.98 -0.18 116.42 117.52 1nkl h ASP 25 Ca 0.76 -0.08 0.09 0.00 0.42 0.00 0.00 57.03 58.22 1nkl h ASP 25 Cb 1.87 0.14 -0.06 0.00 1.72 0.00 0.00 39.33 43.00 1nkl h ASP 25 CO -0.75 -0.19 0.59 0.74 -2.88 0.00 0.00 179.24 176.74 1nkl h THR 26 N -0.89 1.00 -0.15 2.25 2.02 -1.66 0.16 112.91 115.64 1nkl h THR 26 Ca -0.06 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1nkl h THR 26 Cb 0.58 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1nkl h THR 26 CO 0.10 0.17 0.06 0.58 0.37 0.00 0.00 175.52 176.80 1nkl h VAL 27 N 0.95 1.16 -0.00 3.16 2.07 -1.15 0.14 116.25 122.58 1nkl h VAL 27 Ca 0.41 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1nkl h VAL 27 Cb 0.34 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1nkl h VAL 27 CO -0.17 0.15 -0.16 0.74 0.02 0.00 0.00 177.57 178.15 1nkl h THR 28 N 0.08 0.61 0.09 2.57 2.02 0.11 0.10 112.91 118.50 1nkl h THR 28 Ca 0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1nkl h THR 28 Cb 0.18 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1nkl h THR 28 CO -0.00 0.00 -0.04 0.06 0.37 0.00 0.00 175.52 175.90 1nkl h GLN 29 N -0.26 -0.12 -0.27 6.66 3.07 -0.87 -0.90 115.11 122.42 1nkl h GLN 29 Ca 0.05 0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.76 1nkl h GLN 29 Cb 0.33 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.90 1nkl h GLN 29 CO -0.16 0.29 0.00 0.00 0.09 0.00 0.00 178.83 179.06 1nkl h ALA 30 N 0.27 1.50 0.04 0.06 0.00 -0.67 -0.66 119.26 119.80 1nkl h ALA 30 Ca -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1nkl h ALA 30 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1nkl h ALA 30 CO 0.02 0.36 -0.26 0.00 0.00 0.00 0.00 179.25 179.37 1nkl h ALA 31 N 1.62 -0.01 -0.36 0.00 0.00 -0.82 0.45 119.26 120.14 1nkl h ALA 31 Ca 0.09 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.52 1nkl h ALA 31 Cb 0.26 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1nkl h ALA 31 CO 0.01 0.13 0.26 0.66 0.00 0.00 0.00 179.25 180.30 1nkl h SER 32 N -0.84 0.03 1.00 0.00 4.64 -1.02 -0.05 113.55 117.31 1nkl h SER 32 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1nkl h SER 32 Cb 1.18 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1nkl h SER 32 CO 0.03 0.02 -0.84 1.56 -0.87 0.00 0.00 176.83 176.73 1nkl h GLN 33 N 0.03 0.00 -0.97 4.77 1.08 -1.16 -3.12 115.11 115.74 1nkl h GLN 33 Ca 0.17 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.40 1nkl h GLN 33 Cb 0.64 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.02 1nkl h GLN 33 CO -0.01 0.00 0.64 -0.24 -0.95 0.00 0.00 178.83 178.27 1nkl h VAL 34 N 0.00 1.19 -0.01 -0.54 3.04 0.19 0.47 116.25 120.59 1nkl h VAL 34 Ca 0.00 -0.43 -0.00 0.00 -1.01 0.00 0.00 66.70 65.26 1nkl h VAL 34 Cb 0.92 -0.17 -0.00 0.00 -2.01 0.00 0.00 31.29 30.03 1nkl h VAL 34 CO 0.00 0.23 -0.00 0.00 -1.01 0.00 0.00 177.57 176.78 1nkl h ASP 36 N -0.40 0.12 -0.04 0.00 3.58 -1.33 -2.82 116.42 115.54 1nkl h ASP 36 Ca 0.00 0.11 -0.22 0.00 0.42 0.00 0.00 57.03 57.34 1nkl h ASP 36 Cb 0.43 0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.60 1nkl h ASP 36 CO 0.00 0.06 -0.79 0.50 -2.88 0.00 0.00 179.24 176.13 1nkl h LYS 37 N 0.34 0.70 -5.84 0.28 3.64 -0.84 -3.37 116.57 111.48 1nkl h LYS 37 Ca 0.35 -0.58 -0.41 0.00 -1.27 0.00 0.00 60.65 58.74 1nkl h LYS 37 Cb 0.51 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.39 1nkl h LYS 37 CO -0.39 1.19 1.05 -0.51 -2.27 0.00 0.00 179.45 178.52 1nkl s LEU 38 N -8.28 3.29 0.63 5.20 1.43 0.35 -4.96 118.68 116.33 1nkl s LEU 38 Ca -0.09 -1.03 -0.12 0.00 -1.03 0.00 0.00 54.13 51.86 1nkl s LEU 38 Cb 0.09 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 1nkl s LEU 38 CO 0.89 -2.30 1.04 -1.59 0.23 0.00 0.00 176.35 174.62 1nkl s LYS 39 N 6.23 3.38 0.00 1.70 0.00 -1.26 -1.48 119.74 128.30 1nkl s LYS 39 Ca 0.61 0.89 0.00 0.00 0.00 0.00 0.00 55.97 57.48 1nkl s LYS 39 Cb -0.04 -2.05 0.00 0.00 0.00 0.00 0.00 37.83 35.74 1nkl s LYS 39 CO -0.03 -0.75 0.00 -0.89 0.00 0.00 0.00 175.35 173.68 1nkl n ILE 40 N -2.67 0.00 1.65 3.79 2.08 -1.26 -4.44 119.36 118.51 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 0.19 0.00 -0.75 0.00 0.00 39.64 39.62 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 0.63 -0.30 1.39 -0.00 -1.19 -3.32 117.00 114.20 1nkl n LEU 41 Ca 0.00 -0.30 -0.02 0.00 -0.00 0.00 0.00 56.01 55.70 1nkl n LEU 41 Cb 0.00 -0.07 0.11 0.00 -0.00 0.00 0.00 43.42 43.46 1nkl n LEU 41 CO 0.00 0.15 1.20 -0.09 -0.00 0.00 0.00 177.39 178.65 1nkl h ARG 42 N 0.73 1.00 -0.26 1.96 2.43 -1.37 -2.24 114.38 116.63 1nkl h ARG 42 Ca 0.00 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1nkl h ARG 42 Cb 0.16 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1nkl h ARG 42 CO 0.00 0.66 0.11 0.78 -1.51 0.00 0.00 179.97 180.01 1nkl h GLY 43 N 1.03 0.37 0.00 2.80 0.00 -1.87 0.69 103.07 106.09 1nkl h GLY 43 Ca 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1nkl h GLY 43 CO -0.12 0.15 -0.07 -2.00 0.00 0.00 0.00 176.54 174.51 1nkl h LEU 44 N 0.35 0.00 -0.37 3.11 5.85 -1.70 -3.33 115.31 119.23 1nkl h LEU 44 Ca 0.09 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1nkl h LEU 44 Cb 0.06 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.00 1nkl h LEU 44 CO -0.01 0.47 -0.39 0.00 -0.34 0.00 0.00 178.44 178.17 1nkl h LYS 46 N -0.32 0.96 -0.24 0.00 1.79 -1.07 -0.08 116.57 117.61 1nkl h LYS 46 Ca 0.14 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.48 1nkl h LYS 46 Cb 0.57 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1nkl h LYS 46 CO -0.54 0.64 -0.13 -0.22 -1.08 0.00 0.00 179.45 178.12 1nkl h LYS 47 N 0.99 0.51 -0.48 3.15 3.64 -1.35 -2.27 116.57 120.75 1nkl h LYS 47 Ca 0.49 -0.23 0.06 0.00 -1.27 0.00 0.00 60.65 59.70 1nkl h LYS 47 Cb 0.48 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 1nkl h LYS 47 CO -0.26 0.79 0.19 0.82 -2.27 0.00 0.00 179.45 178.72 1nkl h ILE 48 N 0.22 0.87 -0.15 2.00 2.04 -0.10 -0.61 117.51 121.77 1nkl h ILE 48 Ca 0.05 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1nkl h ILE 48 Cb 0.64 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1nkl h ILE 48 CO 0.04 0.07 0.07 0.24 0.00 0.00 0.00 178.15 178.57 1nkl h MET 49 N 0.38 0.15 -0.78 2.37 2.86 -0.96 0.04 114.93 118.99 1nkl h MET 49 Ca 0.23 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1nkl h MET 49 Cb 0.21 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 1nkl h MET 49 CO -0.22 0.10 0.52 -0.09 1.06 0.00 0.00 176.91 178.28 1nkl h ARG 50 N 0.15 1.02 0.05 1.72 1.12 -1.07 -1.38 114.38 115.99 1nkl h ARG 50 Ca 0.06 -0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1nkl h ARG 50 Cb 0.02 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 29.75 1nkl h ARG 50 CO -0.05 0.67 -0.03 1.03 -3.11 0.00 0.00 179.97 178.49 1nkl h SER 51 N 1.05 -0.06 -1.40 -3.80 0.87 -0.39 -3.38 113.55 106.44 1nkl h SER 51 Ca 0.29 -0.16 -0.44 0.00 -1.23 0.00 0.00 61.79 60.25 1nkl h SER 51 Cb -0.11 0.02 -0.40 0.00 -0.44 0.00 0.00 62.40 61.46 1nkl h SER 51 CO -0.07 0.12 -1.09 0.49 -0.53 0.00 0.00 176.83 175.76 1nkl n PHE 52 N -5.04 1.48 0.40 2.24 3.72 -0.07 -4.98 117.46 115.21 1nkl n PHE 52 Ca -0.08 -3.16 -0.19 0.00 -0.05 0.00 0.00 57.45 53.97 1nkl n PHE 52 Cb 0.13 -0.35 -0.09 0.00 -0.94 0.00 0.00 39.48 38.23 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 2.93 -1.10 -1.98 4.37 7.12 -1.44 -1.40 115.31 123.82 1nkl h LEU 53 Ca 0.02 0.06 0.16 0.00 0.13 0.00 0.00 57.88 58.25 1nkl h LEU 53 Cb 1.05 0.32 -0.02 0.00 -0.53 0.00 0.00 40.66 41.47 1nkl h LEU 53 CO 0.58 -0.68 0.39 -0.09 -0.13 0.00 0.00 178.44 178.51 1nkl h ARG 54 N -1.09 0.02 -0.04 1.25 2.43 -1.94 0.05 114.38 115.07 1nkl h ARG 54 Ca -0.09 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1nkl h ARG 54 Cb 0.88 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1nkl h ARG 54 CO 0.10 0.02 -0.01 0.00 -1.51 0.00 0.00 179.97 178.56 1nkl h ARG 55 N 0.02 0.08 -0.28 0.20 2.47 -1.70 -2.05 114.38 113.13 1nkl h ARG 55 Ca 0.26 -0.03 0.08 0.00 -1.26 0.00 0.00 59.98 59.03 1nkl h ARG 55 Cb 1.02 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.32 1nkl h ARG 55 CO -0.01 0.45 0.22 0.82 0.56 0.00 0.00 179.97 182.02 1nkl h ILE 56 N -0.30 0.71 0.46 2.04 5.03 -0.19 0.14 117.51 125.40 1nkl h ILE 56 Ca 0.01 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.73 1nkl h ILE 56 Cb 0.43 0.84 0.00 0.00 -3.03 0.00 0.00 36.82 35.06 1nkl h ILE 56 CO 0.00 0.00 -0.22 -1.28 -0.68 0.00 0.00 178.15 175.97 1nkl h SER 57 N 0.00 -0.53 -0.72 1.72 0.87 -1.19 -2.69 113.55 111.02 1nkl h SER 57 Ca 0.13 -0.07 0.16 0.00 -1.23 0.00 0.00 61.79 60.77 1nkl h SER 57 Cb 0.58 0.14 -0.13 0.00 -0.44 0.00 0.00 62.40 62.54 1nkl h SER 57 CO -0.00 -0.12 -0.09 -0.25 -0.53 0.00 0.00 176.83 175.84 1nkl h TRP 58 N -1.04 -0.21 0.08 2.24 7.01 -0.58 -0.06 115.95 123.38 1nkl h TRP 58 Ca -0.06 0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.01 1nkl h TRP 58 Cb 0.57 0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 27.79 1nkl h TRP 58 CO 0.02 -0.27 -0.52 -0.44 -2.79 0.00 0.00 178.44 174.44 1nkl h ASP 59 N 0.05 -1.57 0.22 2.65 3.32 -0.74 0.43 116.42 120.77 1nkl h ASP 59 Ca 0.37 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.58 1nkl h ASP 59 Cb 0.62 0.59 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1nkl h ASP 59 CO -0.69 -0.54 -0.11 0.40 -1.72 0.00 0.00 179.24 176.58 1nkl h ILE 60 N -0.72 0.81 -0.74 0.35 5.03 -1.11 -1.33 117.51 119.82 1nkl h ILE 60 Ca 0.01 -0.16 0.01 0.00 -0.12 0.00 0.00 64.86 64.60 1nkl h ILE 60 Cb 0.74 0.91 -0.04 0.00 -3.03 0.00 0.00 36.82 35.40 1nkl h ILE 60 CO -0.31 0.04 0.49 -0.07 -0.68 0.00 0.00 178.15 177.61 1nkl h LEU 61 N -0.37 0.83 -0.37 1.44 3.38 -0.80 0.92 115.31 120.33 1nkl h LEU 61 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1nkl h LEU 61 Cb 0.29 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1nkl h LEU 61 CO 0.05 0.59 0.00 0.35 0.09 0.00 0.00 178.44 179.52 1nkl n THR 62 N -4.43 0.06 -4.32 0.22 -2.24 0.12 -4.90 114.28 98.78 1nkl n THR 62 Ca 0.08 -0.05 -0.32 0.00 -2.27 0.00 0.00 64.05 61.49 1nkl n THR 62 Cb 0.05 -0.11 -0.09 0.00 -2.10 0.00 0.00 70.33 68.08 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 0.41 -0.17 3.82 3.38 0.00 0.32 -4.92 105.19 108.03 1nkl n GLY 63 Ca 0.01 0.16 -0.36 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 -7.30 4.16 0.70 1.61 2.20 -0.50 -5.01 119.74 115.60 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 -2.98 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1nkl s LYS 64 CO 0.99 0.48 1.08 0.15 -0.36 0.00 0.00 175.35 177.70 1nkl s LYS 65 N -1.76 2.71 0.04 4.03 3.01 -1.26 -4.78 119.74 121.73 1nkl s LYS 65 Ca 0.38 1.18 -0.29 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 -1.29 1.43 -1.00 0.51 0.00 0.00 175.35 175.20 1nkl h PRO 66 N -0.51 -0.68 0.00 -1.68 0.13 -1.95 0.69 132.00 128.01 1nkl h PRO 66 Ca -0.45 0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 1nkl h PRO 66 Cb 1.23 0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 1nkl h PRO 66 CO 0.54 -0.39 -0.05 0.37 -0.23 0.00 0.00 178.00 178.24 1nkl h GLN 67 N -0.86 0.00 0.10 0.86 4.15 -1.93 -1.37 115.11 116.06 1nkl h GLN 67 Ca -0.07 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.08 1nkl h GLN 67 Cb 0.60 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.30 1nkl h GLN 67 CO 0.12 0.05 -1.17 0.00 -1.93 0.00 0.00 178.83 175.90 1nkl h ALA 68 N 1.95 0.15 0.06 3.38 0.00 -1.83 -2.91 119.26 120.07 1nkl h ALA 68 Ca -0.00 -0.83 0.02 0.00 0.00 0.00 0.00 54.91 54.11 1nkl h ALA 68 Cb 0.10 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1nkl h ALA 68 CO 0.01 0.89 -0.21 0.82 0.00 0.00 0.00 179.25 180.76 1nkl h ILE 69 N 0.13 0.52 -0.95 0.00 2.04 0.19 -0.03 117.51 119.41 1nkl h ILE 69 Ca -0.13 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.89 1nkl h ILE 69 Cb 1.87 0.52 -0.08 0.00 -0.74 0.00 0.00 36.82 38.38 1nkl h ILE 69 CO 0.20 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.95 1nkl h VAL 71 N 0.74 1.15 -0.33 0.00 2.07 -1.18 0.31 116.25 119.01 1nkl h VAL 71 Ca 0.50 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 67.15 1nkl h VAL 71 Cb 0.79 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 1nkl h VAL 71 CO -0.27 0.23 -0.02 -0.78 0.02 0.00 0.00 177.57 176.75 1nkl h ASP 72 N -0.55 -0.17 -0.21 0.57 1.82 0.11 0.03 116.42 118.01 1nkl h ASP 72 Ca -0.01 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1nkl h ASP 72 Cb 0.46 0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1nkl h ASP 72 CO 0.02 -0.05 0.00 2.30 -1.61 0.00 0.00 179.24 179.90 1nkl n ILE 73 N -5.20 0.28 -2.80 2.25 -5.35 -0.44 -4.98 119.36 103.13 1nkl n ILE 73 Ca 0.01 -0.35 -0.04 0.00 -0.27 0.00 0.00 62.75 62.10 1nkl n ILE 73 Cb 0.18 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 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 0.28 -2.96 0.00 6.28 4.81 -0.00 -5.01 118.16 121.56 1nkl n LYS 74 Ca 0.14 2.47 0.00 0.00 -0.87 0.00 0.00 58.31 60.04 1nkl n LYS 74 Cb 0.29 -5.42 0.00 0.00 0.02 0.00 0.00 35.03 29.91 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 0.26 0.00 -2.06 3.15 2.08 0.11 -5.02 119.36 117.88 1nkl n ILE 75 Ca 0.05 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.34 1nkl n ILE 75 Cb 0.22 0.27 0.00 0.00 -0.75 0.00 0.00 39.64 39.38 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 2.50 3.27 0.00 0.00 2.36 -1.26 -4.98 119.74 121.64 1nkl s LYS 77 Ca 0.00 -3.15 0.00 0.00 -2.55 0.00 0.00 55.97 50.27 1nkl s LYS 77 Cb 0.00 -4.00 0.00 0.00 -1.05 0.00 0.00 37.83 32.78 1nkl s LYS 77 CO 0.00 -1.25 0.33 0.39 1.55 0.00 0.00 175.35 176.37