#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 0.00 -0.34 1.61 9.36 -1.26 -4.60 117.16 121.92 1nkl n TYR 2 Ca 0.00 0.00 0.22 0.00 3.32 0.00 0.00 57.90 61.44 1nkl n TYR 2 Cb 0.00 0.00 0.45 0.00 -0.63 0.00 0.00 39.34 39.16 1nkl n TYR 2 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1nkl h PHE 3 N 0.00 0.92 0.73 2.98 0.04 -1.87 -2.95 116.94 116.78 1nkl h PHE 3 Ca 0.00 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 1nkl h PHE 3 Cb 0.00 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 37.89 1nkl h PHE 3 CO 0.00 -0.05 -0.45 0.00 -0.60 0.00 0.00 178.31 177.21 1nkl h GLU 5 N -1.11 0.21 -0.35 0.00 4.57 -1.93 0.93 114.58 116.90 1nkl h GLU 5 Ca -0.10 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.15 1nkl h GLU 5 Cb 0.89 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 29.35 1nkl h GLU 5 CO 0.09 0.14 -0.21 0.77 -1.18 0.00 0.00 179.01 178.62 1nkl h SER 6 N 0.22 -0.70 0.20 1.04 0.02 -1.37 0.27 113.55 113.23 1nkl h SER 6 Ca 0.08 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1nkl h SER 6 Cb 0.01 0.36 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1nkl h SER 6 CO -0.05 -0.24 -0.10 0.00 -1.14 0.00 0.00 176.83 175.30 1nkl h ARG 8 N -0.30 0.52 -0.38 0.00 1.12 -0.40 0.15 114.38 115.08 1nkl h ARG 8 Ca -0.03 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.81 1nkl h ARG 8 Cb 0.23 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.06 1nkl h ARG 8 CO 0.04 0.35 0.22 -0.22 -3.11 0.00 0.00 179.97 177.25 1nkl h LYS 9 N 0.54 0.53 -0.04 0.20 1.63 -0.31 0.24 116.57 119.36 1nkl h LYS 9 Ca 0.28 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 60.04 1nkl h LYS 9 Cb 0.23 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 1nkl h LYS 9 CO -0.21 0.42 -0.09 0.82 -3.45 0.00 0.00 179.45 176.94 1nkl h ILE 10 N 0.50 0.75 -0.41 2.00 2.04 -0.48 -1.69 117.51 120.21 1nkl h ILE 10 Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 1nkl h ILE 10 Cb 0.04 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1nkl h ILE 10 CO -0.02 0.00 0.18 0.40 0.00 0.00 0.00 178.15 178.71 1nkl h ILE 11 N -0.14 1.19 -0.48 -0.67 1.08 -0.78 -2.75 117.51 114.96 1nkl h ILE 11 Ca 0.05 -0.57 0.02 0.00 -0.39 0.00 0.00 64.86 63.97 1nkl h ILE 11 Cb 0.21 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 1nkl h ILE 11 CO -0.12 0.21 0.30 1.56 -0.69 0.00 0.00 178.15 179.41 1nkl h GLN 12 N 0.53 0.58 0.00 2.37 1.08 -0.15 0.16 115.11 119.68 1nkl h GLN 12 Ca 0.14 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.24 1nkl h GLN 12 Cb 0.16 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1nkl h GLN 12 CO -0.01 0.39 -0.32 -0.22 -0.95 0.00 0.00 178.83 177.71 1nkl h LYS 13 N 0.60 0.00 0.86 1.46 1.63 -1.35 -0.17 116.57 119.60 1nkl h LYS 13 Ca 0.19 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1nkl h LYS 13 Cb -0.02 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1nkl h LYS 13 CO -0.07 0.32 -0.41 1.25 -3.45 0.00 0.00 179.45 177.08 1nkl h LEU 14 N 0.00 -0.98 -0.38 5.20 7.12 -0.72 -2.72 115.31 122.83 1nkl h LEU 14 Ca -0.00 0.03 0.07 0.00 0.13 0.00 0.00 57.88 58.11 1nkl h LEU 14 Cb 0.64 0.25 -0.07 0.00 -0.53 0.00 0.00 40.66 40.95 1nkl h LEU 14 CO 0.04 -0.64 -0.07 -0.08 -0.13 0.00 0.00 178.44 177.56 1nkl h GLU 15 N -1.29 0.02 -0.60 1.25 4.81 -0.61 0.21 114.58 118.38 1nkl h GLU 15 Ca -0.12 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1nkl h GLU 15 Cb 0.89 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.22 1nkl h GLU 15 CO 0.19 0.02 0.33 0.22 -0.73 0.00 0.00 179.01 179.04 1nkl h ASP 16 N 0.02 0.48 0.03 1.04 1.82 -1.14 -1.21 116.42 117.46 1nkl h ASP 16 Ca 0.18 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.81 1nkl h ASP 16 Cb 0.28 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.22 1nkl h ASP 16 CO -0.37 0.32 -0.16 0.24 -1.61 0.00 0.00 179.24 177.66 1nkl h MET 17 N 0.62 0.06 0.00 0.28 2.86 -0.96 -3.31 114.93 114.47 1nkl h MET 17 Ca 0.26 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1nkl h MET 17 Cb 0.14 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1nkl h MET 17 CO -0.16 1.05 -0.10 -0.24 1.06 0.00 0.00 176.91 178.52 1nkl h VAL 18 N -0.88 1.02 -0.14 -2.22 3.04 -0.69 -3.49 116.25 112.89 1nkl h VAL 18 Ca -0.03 -0.33 0.02 0.00 -1.01 0.00 0.00 66.70 65.34 1nkl h VAL 18 Cb 1.12 1.18 -0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1nkl h VAL 18 CO 0.03 0.09 -0.02 0.61 -1.01 0.00 0.00 177.57 177.27 1nkl n GLY 19 N -1.23 -2.22 0.00 3.17 0.00 -0.46 -4.38 105.19 100.07 1nkl n GLY 19 Ca -0.03 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.98 0.67 -3.19 1.61 -0.04 -1.26 -4.16 135.00 127.65 1nkl n PRO 20 Ca 0.00 0.02 -0.24 0.00 -0.04 0.00 0.00 63.50 63.24 1nkl n PRO 20 Cb 0.03 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.92 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 -1.10 0.67 -2.87 0.54 1.13 -1.26 -5.04 117.38 109.45 1nkl n GLN 21 Ca 0.17 -3.18 -0.21 0.00 -1.94 0.00 0.00 57.00 51.84 1nkl n GLN 21 Cb 0.13 -1.25 0.09 0.00 0.11 0.00 0.00 30.24 29.32 1nkl n GLN 21 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1nkl s PRO 22 N -1.04 1.99 0.03 -1.09 0.04 -1.26 -5.15 135.00 128.53 1nkl s PRO 22 Ca 0.35 -1.49 0.00 0.00 0.04 0.00 0.00 61.00 59.90 1nkl s PRO 22 Cb 0.16 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1nkl s PRO 22 CO -0.12 -1.16 -0.04 0.54 0.04 0.00 0.00 177.00 176.26 1nkl s ASN 23 N -4.73 0.47 0.35 6.66 4.22 -1.26 -4.97 114.94 115.67 1nkl s ASN 23 Ca 0.64 -0.62 0.14 0.00 -2.14 0.00 0.00 52.86 50.89 1nkl s ASN 23 Cb -0.05 0.10 1.13 0.00 1.28 0.00 0.00 41.25 43.71 1nkl s ASN 23 CO 0.42 -0.33 1.60 -0.08 -2.04 0.00 0.00 177.10 176.67 1nkl h GLU 24 N 4.29 0.09 0.26 3.55 4.81 -1.99 -0.25 114.58 125.35 1nkl h GLU 24 Ca -0.33 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1nkl h GLU 24 Cb 1.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1nkl h GLU 24 CO 0.46 0.06 -0.13 0.22 -0.73 0.00 0.00 179.01 178.89 1nkl h ASP 25 N 0.09 -0.30 -0.86 1.04 3.58 -1.99 -1.90 116.42 116.09 1nkl h ASP 25 Ca 0.75 -0.16 0.13 0.00 0.42 0.00 0.00 57.03 58.17 1nkl h ASP 25 Cb 1.84 0.08 -0.06 0.00 1.72 0.00 0.00 39.33 42.90 1nkl h ASP 25 CO -0.75 0.01 0.56 0.74 -2.88 0.00 0.00 179.24 176.91 1nkl h THR 26 N -0.62 0.86 -0.20 2.25 2.02 -1.50 0.24 112.91 115.96 1nkl h THR 26 Ca -0.04 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1nkl h THR 26 Cb 0.44 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1nkl h THR 26 CO 0.06 0.12 0.09 0.58 0.37 0.00 0.00 175.52 176.74 1nkl h VAL 27 N 0.68 1.15 0.10 3.16 2.07 -1.19 0.75 116.25 122.98 1nkl h VAL 27 Ca 0.42 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1nkl h VAL 27 Cb 0.66 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1nkl h VAL 27 CO -0.18 0.15 -0.05 0.74 0.02 0.00 0.00 177.57 178.25 1nkl h THR 28 N 0.18 0.97 -0.44 2.57 2.02 0.15 0.32 112.91 118.68 1nkl h THR 28 Ca 0.07 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 66.83 1nkl h THR 28 Cb 0.16 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1nkl h THR 28 CO -0.01 0.07 -0.28 0.06 0.37 0.00 0.00 175.52 175.73 1nkl h GLN 29 N -0.26 0.98 -1.00 6.66 3.07 -0.74 -2.11 115.11 121.70 1nkl h GLN 29 Ca -0.01 -0.46 0.06 0.00 0.09 0.00 0.00 58.65 58.33 1nkl h GLN 29 Cb 0.22 -0.01 -0.06 0.00 0.08 0.00 0.00 27.48 27.70 1nkl h GLN 29 CO 0.02 1.13 0.65 0.00 0.09 0.00 0.00 178.83 180.72 1nkl h ALA 30 N 0.83 1.37 -0.22 0.06 0.00 -0.76 -1.64 119.26 118.90 1nkl h ALA 30 Ca 0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1nkl h ALA 30 Cb 0.87 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1nkl h ALA 30 CO 0.08 0.47 0.13 0.00 0.00 0.00 0.00 179.25 179.93 1nkl h ALA 31 N 1.44 0.27 -0.78 0.00 0.00 -0.59 0.63 119.26 120.22 1nkl h ALA 31 Ca 0.42 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.53 1nkl h ALA 31 Cb 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1nkl h ALA 31 CO -0.16 -0.27 0.55 0.66 0.00 0.00 0.00 179.25 180.02 1nkl h SER 32 N 0.26 0.15 0.61 0.00 4.64 -0.62 -1.14 113.55 117.46 1nkl h SER 32 Ca 0.09 0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 61.16 1nkl h SER 32 Cb -0.00 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 1nkl h SER 32 CO -0.04 0.07 -1.54 1.56 -0.87 0.00 0.00 176.83 176.00 1nkl h GLN 33 N 0.15 0.00 -0.66 4.77 1.08 -1.23 -3.15 115.11 116.08 1nkl h GLN 33 Ca 0.38 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.57 1nkl h GLN 33 Cb 1.28 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.68 1nkl h GLN 33 CO -0.06 0.54 0.36 -0.24 -0.95 0.00 0.00 178.83 178.49 1nkl h VAL 34 N 0.00 1.21 0.37 -0.54 3.04 0.15 0.20 116.25 120.67 1nkl h VAL 34 Ca -0.22 -0.51 -0.02 0.00 -1.01 0.00 0.00 66.70 64.94 1nkl h VAL 34 Cb 1.92 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 1nkl h VAL 34 CO 0.08 0.22 -0.18 0.00 -1.01 0.00 0.00 177.57 176.69 1nkl h ASP 36 N -0.94 0.52 -0.13 0.00 3.58 -1.45 -3.08 116.42 114.92 1nkl h ASP 36 Ca -0.05 0.09 -0.15 0.00 0.42 0.00 0.00 57.03 57.35 1nkl h ASP 36 Cb 0.53 0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.60 1nkl h ASP 36 CO 0.08 0.21 -0.49 0.50 -2.88 0.00 0.00 179.24 176.66 1nkl h LYS 37 N 0.61 0.56 -5.54 0.28 3.64 -0.60 -3.15 116.57 112.37 1nkl h LYS 37 Ca 0.47 -0.43 -0.69 0.00 -1.27 0.00 0.00 60.65 58.73 1nkl h LYS 37 Cb 0.67 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.49 1nkl h LYS 37 CO -0.37 1.05 2.28 1.28 -2.27 0.00 0.00 179.45 181.42 1nkl n LEU 38 N -4.22 5.21 -4.85 5.20 4.77 -0.07 -4.96 117.00 118.08 1nkl n LEU 38 Ca -0.07 -3.98 -0.31 0.00 -0.03 0.00 0.00 56.01 51.61 1nkl n LEU 38 Cb 0.59 -1.73 0.03 0.00 -2.33 0.00 0.00 43.42 39.98 1nkl n LEU 38 CO 0.46 0.31 0.72 -1.59 -1.33 0.00 0.00 177.39 175.96 1nkl s LYS 39 N 3.91 3.32 0.00 3.23 -2.85 -1.19 -1.46 119.74 124.70 1nkl s LYS 39 Ca 0.52 0.83 0.00 0.00 -1.00 0.00 0.00 55.97 56.33 1nkl s LYS 39 Cb 0.05 -2.04 0.00 0.00 -2.06 0.00 0.00 37.83 33.78 1nkl s LYS 39 CO 0.05 -0.79 0.00 -0.89 0.10 0.00 0.00 175.35 173.82 1nkl n ILE 40 N -2.91 0.00 1.67 3.79 5.41 -1.26 -4.40 119.36 121.66 1nkl n ILE 40 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.86 1nkl n ILE 40 Cb 0.54 0.00 0.19 0.00 -0.71 0.00 0.00 39.64 39.66 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 0.60 -0.32 1.39 7.94 -1.17 -3.66 117.00 121.78 1nkl n LEU 41 Ca 0.00 -0.29 -0.02 0.00 -1.11 0.00 0.00 56.01 54.59 1nkl n LEU 41 Cb 0.00 -0.06 0.10 0.00 0.53 0.00 0.00 43.42 43.99 1nkl n LEU 41 CO 0.00 0.14 1.23 -0.09 -1.11 0.00 0.00 177.39 177.56 1nkl h ARG 42 N 0.70 1.09 0.95 1.96 2.43 -1.36 -2.33 114.38 117.81 1nkl h ARG 42 Ca 0.00 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1nkl h ARG 42 Cb 0.16 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1nkl h ARG 42 CO 0.00 0.72 -0.46 0.78 -1.51 0.00 0.00 179.97 179.50 1nkl h GLY 43 N 1.12 -1.33 0.92 2.80 0.00 -1.89 -2.12 103.07 102.58 1nkl h GLY 43 Ca 0.34 0.49 0.02 0.00 0.00 0.00 0.00 47.33 48.18 1nkl h GLY 43 CO -0.10 -0.48 0.43 -2.00 0.00 0.00 0.00 176.54 174.39 1nkl h LEU 44 N -1.32 0.72 -0.05 3.11 5.85 -1.82 -2.05 115.31 119.75 1nkl h LEU 44 Ca -0.13 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1nkl h LEU 44 Cb 0.98 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 1nkl h LEU 44 CO 0.21 0.51 -0.47 0.00 -0.34 0.00 0.00 178.44 178.35 1nkl h LYS 46 N -0.59 0.97 -0.62 0.00 6.56 -0.99 -0.73 116.57 121.18 1nkl h LYS 46 Ca 0.04 -0.06 -0.07 0.00 -1.06 0.00 0.00 60.65 59.51 1nkl h LYS 46 Cb 0.67 -0.22 -0.02 0.00 -0.57 0.00 0.00 32.23 32.09 1nkl h LYS 46 CO -0.37 0.64 0.12 -0.22 -2.06 0.00 0.00 179.45 177.57 1nkl h LYS 47 N 1.00 1.01 -0.43 3.15 3.64 -0.63 -0.54 116.57 123.77 1nkl h LYS 47 Ca 0.45 -0.26 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1nkl h LYS 47 Cb 0.38 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1nkl h LYS 47 CO -0.21 0.93 0.21 0.82 -2.27 0.00 0.00 179.45 178.94 1nkl h ILE 48 N 0.92 0.98 -0.14 2.00 2.04 -0.18 -0.84 117.51 122.29 1nkl h ILE 48 Ca 0.19 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1nkl h ILE 48 Cb 0.40 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1nkl h ILE 48 CO 0.01 0.08 0.08 0.24 0.00 0.00 0.00 178.15 178.56 1nkl h MET 49 N 0.43 0.19 -0.70 2.37 2.86 -0.81 0.21 114.93 119.49 1nkl h MET 49 Ca 0.18 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.91 1nkl h MET 49 Cb 0.08 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 31.63 1nkl h MET 49 CO -0.13 0.19 0.30 -0.09 1.06 0.00 0.00 176.91 178.25 1nkl h ARG 50 N 0.14 0.48 -0.09 1.72 9.65 -0.81 0.12 114.38 125.59 1nkl h ARG 50 Ca 0.05 -0.03 -0.20 0.00 -1.10 0.00 0.00 59.98 58.70 1nkl h ARG 50 Cb 0.05 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 1nkl h ARG 50 CO -0.01 0.32 -0.77 1.03 2.80 0.00 0.00 179.97 183.34 1nkl h SER 51 N 0.50 0.63 -0.30 -3.80 0.87 -0.77 -3.41 113.55 107.26 1nkl h SER 51 Ca 0.36 -0.42 -0.22 0.00 -1.23 0.00 0.00 61.79 60.28 1nkl h SER 51 Cb 0.46 -0.19 -0.36 0.00 -0.44 0.00 0.00 62.40 61.88 1nkl h SER 51 CO -0.33 1.19 -0.97 0.49 -0.53 0.00 0.00 176.83 176.68 1nkl n PHE 52 N -3.85 0.61 0.39 2.24 3.72 0.71 -5.00 117.46 116.27 1nkl n PHE 52 Ca -0.06 -1.83 -0.19 0.00 -0.05 0.00 0.00 57.45 55.33 1nkl n PHE 52 Cb 0.74 0.04 -0.09 0.00 -0.94 0.00 0.00 39.48 39.23 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 2.12 -1.05 -2.04 4.37 5.85 -0.93 0.50 115.31 124.12 1nkl h LEU 53 Ca -0.20 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.61 1nkl h LEU 53 Cb 1.36 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 1nkl h LEU 53 CO 0.11 -0.66 0.09 -0.09 -0.34 0.00 0.00 178.44 177.54 1nkl h ARG 54 N -1.06 0.00 -0.19 1.25 9.65 -1.95 0.18 114.38 122.27 1nkl h ARG 54 Ca -0.09 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.75 1nkl h ARG 54 Cb 0.85 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.42 1nkl h ARG 54 CO 0.10 0.00 -0.02 0.00 2.80 0.00 0.00 179.97 182.86 1nkl h ARG 55 N 0.00 0.34 -0.11 0.20 2.47 -1.70 -2.30 114.38 113.28 1nkl h ARG 55 Ca 0.06 -0.12 0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1nkl h ARG 55 Cb 0.23 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1nkl h ARG 55 CO -0.00 0.57 0.09 0.82 0.56 0.00 0.00 179.97 182.02 1nkl h ILE 56 N 0.08 0.77 0.57 2.04 1.08 0.11 0.13 117.51 122.28 1nkl h ILE 56 Ca 0.05 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 1nkl h ILE 56 Cb 0.43 0.93 0.01 0.00 -3.07 0.00 0.00 36.82 35.12 1nkl h ILE 56 CO 0.01 0.00 -0.27 -1.28 -0.69 0.00 0.00 178.15 175.92 1nkl h SER 57 N 0.00 -0.65 -0.70 1.72 0.87 -1.16 -2.41 113.55 111.22 1nkl h SER 57 Ca 0.05 -0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.76 1nkl h SER 57 Cb 0.24 0.17 -0.13 0.00 -0.44 0.00 0.00 62.40 62.24 1nkl h SER 57 CO -0.00 -0.24 -0.08 -0.25 -0.53 0.00 0.00 176.83 175.72 1nkl h TRP 58 N -1.17 -0.21 -0.00 2.24 7.01 -0.82 0.31 115.95 123.30 1nkl h TRP 58 Ca -0.08 0.06 0.03 0.00 2.11 0.00 0.00 58.89 61.01 1nkl h TRP 58 Cb 0.61 0.20 -0.06 0.00 -2.10 0.00 0.00 29.16 27.81 1nkl h TRP 58 CO 0.00 -0.26 -0.43 -0.44 -2.79 0.00 0.00 178.44 174.52 1nkl h ASP 59 N 0.05 -1.31 -0.20 2.65 3.32 -0.72 0.42 116.42 120.64 1nkl h ASP 59 Ca 0.36 0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.56 1nkl h ASP 59 Cb 0.59 0.51 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1nkl h ASP 59 CO -0.67 -0.46 0.11 0.40 -1.72 0.00 0.00 179.24 176.90 1nkl h ILE 60 N -0.58 1.10 -0.44 0.35 5.03 -0.97 -2.19 117.51 119.80 1nkl h ILE 60 Ca 0.04 -0.25 -0.01 0.00 -0.12 0.00 0.00 64.86 64.52 1nkl h ILE 60 Cb 0.66 0.91 -0.02 0.00 -3.03 0.00 0.00 36.82 35.34 1nkl h ILE 60 CO -0.32 0.09 0.24 -0.07 -0.68 0.00 0.00 178.15 177.41 1nkl h LEU 61 N 0.22 0.53 -0.15 1.44 3.38 -0.56 0.92 115.31 121.10 1nkl h LEU 61 Ca 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1nkl h LEU 61 Cb 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1nkl h LEU 61 CO -0.01 0.43 0.00 0.35 0.09 0.00 0.00 178.44 179.30 1nkl n THR 62 N -4.42 0.05 -4.35 0.22 -2.24 0.11 -4.91 114.28 98.74 1nkl n THR 62 Ca 0.03 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 1nkl n THR 62 Cb 0.10 -0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.61 -0.17 3.82 3.38 0.00 0.32 -4.91 105.19 108.24 1nkl n GLY 63 Ca 0.04 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 4.15 0.71 1.61 2.20 -0.83 -5.02 119.74 115.22 1nkl s LYS 64 Ca 0.15 0.70 -0.12 0.00 -0.36 0.00 0.00 55.97 56.34 1nkl s LYS 64 Cb -0.09 -3.00 0.02 0.00 -1.51 0.00 0.00 37.83 33.25 1nkl s LYS 64 CO 1.00 0.49 1.08 0.15 -0.36 0.00 0.00 175.35 177.72 1nkl s LYS 65 N -1.73 2.66 0.07 4.03 -0.14 -1.26 -4.79 119.74 118.58 1nkl s LYS 65 Ca 0.37 1.18 -0.22 0.00 -1.36 0.00 0.00 55.97 55.94 1nkl s LYS 65 Cb -0.17 -1.95 -0.13 0.00 -1.68 0.00 0.00 37.83 33.90 1nkl s LYS 65 CO 0.20 -1.33 1.60 -1.00 -0.76 0.00 0.00 175.35 174.06 1nkl h PRO 66 N -0.58 0.12 -0.94 -1.68 0.13 -1.95 0.77 132.00 127.88 1nkl h PRO 66 Ca -0.45 -0.02 0.11 0.00 -0.87 0.00 0.00 66.00 64.77 1nkl h PRO 66 Cb 1.23 -0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1nkl h PRO 66 CO 0.54 0.25 0.58 0.37 -0.23 0.00 0.00 178.00 179.50 1nkl h GLN 67 N -0.03 0.89 0.04 0.86 -0.00 -1.93 -1.22 115.11 113.73 1nkl h GLN 67 Ca 0.03 -0.05 -0.22 0.00 -0.00 0.00 0.00 58.65 58.40 1nkl h GLN 67 Cb 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.44 1nkl h GLN 67 CO -0.00 0.59 -1.02 0.00 0.00 0.00 0.00 178.83 178.40 1nkl h ALA 68 N 1.51 0.34 0.31 3.38 0.00 -1.74 -1.84 119.26 121.22 1nkl h ALA 68 Ca 0.46 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1nkl h ALA 68 Cb 0.45 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1nkl h ALA 68 CO -0.26 1.01 -0.18 0.82 0.00 0.00 0.00 179.25 180.64 1nkl h ILE 69 N 0.07 0.62 -0.92 0.00 2.04 -0.32 -0.77 117.51 118.23 1nkl h ILE 69 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1nkl h ILE 69 Cb 1.72 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 1nkl h ILE 69 CO 0.16 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.84 1nkl h VAL 71 N 1.27 1.27 0.86 0.00 2.07 -1.23 0.15 116.25 120.64 1nkl h VAL 71 Ca 0.33 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 1nkl h VAL 71 Cb -0.02 1.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1nkl h VAL 71 CO -0.06 0.45 -0.41 -0.78 0.02 0.00 0.00 177.57 176.79 1nkl h ASP 72 N 0.74 -0.97 0.00 0.57 1.82 -0.77 -3.04 116.42 114.77 1nkl h ASP 72 Ca 0.10 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1nkl h ASP 72 Cb 0.74 0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.01 1nkl h ASP 72 CO 0.06 -0.66 0.00 2.30 -1.61 0.00 0.00 179.24 179.33 1nkl n ILE 73 N -5.31 0.00 -2.63 2.25 -5.35 -0.73 -4.90 119.36 102.68 1nkl n ILE 73 Ca -0.14 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.29 1nkl n ILE 73 Cb 0.45 -0.47 0.01 0.00 -1.74 0.00 0.00 39.64 37.89 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 -0.93 -2.46 0.00 6.28 4.81 -0.90 -5.05 118.16 119.90 1nkl n LYS 74 Ca 0.19 2.15 0.00 0.00 -0.87 0.00 0.00 58.31 59.78 1nkl n LYS 74 Cb 0.09 -5.04 0.00 0.00 0.02 0.00 0.00 35.03 30.10 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 0.03 0.00 0.00 3.15 5.41 0.49 -5.01 119.36 123.42 1nkl n ILE 75 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.82 1nkl n ILE 75 Cb 0.25 0.09 0.00 0.00 -0.71 0.00 0.00 39.64 39.27 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 0.00 0.90 0.00 0.00 3.00 -1.26 -4.12 118.16 116.68 1nkl n LYS 77 Ca 0.00 -2.66 0.14 0.00 -0.00 0.00 0.00 58.31 55.79 1nkl n LYS 77 Cb 0.00 -1.37 0.82 0.00 0.00 0.00 0.00 35.03 34.47 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79