#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 -1.00 1.61 3.20 -1.93 -1.92 116.97 116.93 1nkl h TYR 2 Ca 0.00 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.09 1nkl h TYR 2 Cb 0.00 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.17 1nkl h TYR 2 CO 0.00 0.00 0.62 0.74 -1.64 0.00 0.00 178.16 177.88 1nkl h PHE 3 N 0.00 0.92 0.74 -3.82 -1.00 -1.97 -3.04 116.94 108.77 1nkl h PHE 3 Ca 0.37 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 61.15 1nkl h PHE 3 Cb 1.58 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 40.86 1nkl h PHE 3 CO 0.00 0.15 -0.45 0.00 -1.61 0.00 0.00 178.31 176.40 1nkl h GLU 5 N -1.11 0.21 -0.53 0.00 4.22 -1.78 0.39 114.58 115.97 1nkl h GLU 5 Ca -0.10 -0.04 0.11 0.00 0.08 0.00 0.00 59.36 59.41 1nkl h GLU 5 Cb 0.89 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.00 1nkl h GLU 5 CO 0.10 0.30 -0.15 0.77 -2.18 0.00 0.00 179.01 177.85 1nkl h SER 6 N 0.07 -0.55 -0.00 1.04 0.02 -1.47 0.28 113.55 112.94 1nkl h SER 6 Ca 0.05 0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1nkl h SER 6 Cb 0.17 0.35 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1nkl h SER 6 CO -0.00 -0.19 0.00 0.00 -1.14 0.00 0.00 176.83 175.50 1nkl h ARG 8 N -0.04 0.19 -0.50 0.00 1.12 -0.00 -0.36 114.38 114.78 1nkl h ARG 8 Ca 0.00 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.83 1nkl h ARG 8 Cb 0.04 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 29.93 1nkl h ARG 8 CO -0.00 0.12 0.19 -0.22 -3.11 0.00 0.00 179.97 176.95 1nkl h LYS 9 N 0.19 0.76 0.31 0.20 3.64 -0.18 0.16 116.57 121.66 1nkl h LYS 9 Ca 0.26 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1nkl h LYS 9 Cb 0.37 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1nkl h LYS 9 CO -0.37 0.68 -0.47 0.82 -2.27 0.00 0.00 179.45 177.85 1nkl h ILE 10 N 0.68 0.08 -0.47 2.00 2.04 -0.54 -2.34 117.51 118.96 1nkl h ILE 10 Ca 0.17 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 1nkl h ILE 10 Cb 0.21 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1nkl h ILE 10 CO -0.01 0.00 0.22 0.40 0.00 0.00 0.00 178.15 178.76 1nkl h ILE 11 N -0.84 1.19 -0.30 -0.67 2.04 -0.88 -2.84 117.51 115.21 1nkl h ILE 11 Ca -0.02 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.32 1nkl h ILE 11 Cb 0.78 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1nkl h ILE 11 CO -0.15 0.21 0.08 1.56 0.00 0.00 0.00 178.15 179.85 1nkl h GLN 12 N 0.62 0.19 0.00 2.37 1.08 -0.51 0.29 115.11 119.16 1nkl h GLN 12 Ca 0.16 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.28 1nkl h GLN 12 Cb 0.14 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1nkl h GLN 12 CO -0.02 0.13 -0.32 -0.22 -0.95 0.00 0.00 178.83 177.45 1nkl h LYS 13 N 0.20 0.00 0.25 1.46 1.63 -1.42 -0.60 116.57 118.09 1nkl h LYS 13 Ca 0.14 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1nkl h LYS 13 Cb 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1nkl h LYS 13 CO -0.16 0.32 -0.12 1.25 -3.45 0.00 0.00 179.45 177.29 1nkl h LEU 14 N 0.00 -0.28 -0.36 5.20 6.46 -0.87 -2.77 115.31 122.69 1nkl h LEU 14 Ca -0.00 -0.23 0.05 0.00 -0.12 0.00 0.00 57.88 57.57 1nkl h LEU 14 Cb 0.61 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 1nkl h LEU 14 CO 0.04 0.13 0.10 -0.08 -0.62 0.00 0.00 178.44 178.01 1nkl h GLU 15 N -0.75 0.23 -0.09 1.25 4.81 -0.33 0.18 114.58 119.88 1nkl h GLU 15 Ca -0.03 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1nkl h GLU 15 Cb 0.50 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1nkl h GLU 15 CO 0.06 0.15 -0.06 0.22 -0.73 0.00 0.00 179.01 178.64 1nkl h ASP 16 N 0.23 -0.20 0.02 1.04 1.82 -1.22 -1.24 116.42 116.88 1nkl h ASP 16 Ca 0.17 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.85 1nkl h ASP 16 Cb 0.16 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.28 1nkl h ASP 16 CO -0.19 -0.09 -0.01 0.24 -1.61 0.00 0.00 179.24 177.58 1nkl h MET 17 N -0.07 -0.03 0.00 0.28 2.86 -1.07 -3.14 114.93 113.76 1nkl h MET 17 Ca 0.06 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1nkl h MET 17 Cb 0.16 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 1nkl h MET 17 CO -0.13 0.55 -0.09 -0.24 1.06 0.00 0.00 176.91 178.05 1nkl h VAL 18 N -0.62 0.96 0.00 -2.22 3.04 -0.73 -3.49 116.25 113.19 1nkl h VAL 18 Ca -0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1nkl h VAL 18 Cb 0.59 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 1nkl h VAL 18 CO 0.00 0.09 0.00 0.61 -1.01 0.00 0.00 177.57 177.26 1nkl n GLY 19 N -1.21 -1.29 0.01 3.17 0.00 -0.47 -4.40 105.19 101.01 1nkl n GLY 19 Ca -0.03 -1.59 0.16 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.46 0.88 -3.23 1.61 -0.04 -1.26 -3.96 135.00 127.53 1nkl n PRO 20 Ca 0.00 -0.01 -0.24 0.00 -0.04 0.00 0.00 63.50 63.20 1nkl n PRO 20 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 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 -1.05 1.13 -2.06 0.54 3.00 -1.26 -4.99 117.38 112.69 1nkl n GLN 21 Ca 0.22 -3.54 -0.18 0.00 -0.01 0.00 0.00 57.00 53.48 1nkl n GLN 21 Cb 0.14 -1.46 0.10 0.00 0.00 0.00 0.00 30.24 29.02 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 1.22 -0.01 -4.04 -1.09 -0.04 -1.25 -5.14 135.00 124.64 1nkl n PRO 22 Ca 0.23 -2.05 -0.10 0.00 -0.04 0.00 0.00 63.50 61.55 1nkl n PRO 22 Cb 0.51 -0.54 -0.11 0.00 -0.04 0.00 0.00 33.50 33.32 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 -4.15 0.54 0.35 3.54 4.22 -1.26 -4.98 114.94 113.19 1nkl s ASN 23 Ca 0.51 -0.66 0.15 0.00 -2.14 0.00 0.00 52.86 50.72 1nkl s ASN 23 Cb -0.03 0.10 1.15 0.00 1.28 0.00 0.00 41.25 43.76 1nkl s ASN 23 CO 0.34 -0.35 1.60 -0.08 -2.04 0.00 0.00 177.10 176.56 1nkl h GLU 24 N 4.15 0.06 0.24 3.55 4.57 -1.99 -0.32 114.58 124.85 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 1.19 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1nkl h GLU 24 CO 0.48 0.04 -0.12 0.22 -1.18 0.00 0.00 179.01 178.46 1nkl h ASP 25 N 0.07 -0.28 -0.99 1.04 3.58 -1.99 -2.13 116.42 115.73 1nkl h ASP 25 Ca 0.76 -0.25 0.13 0.00 0.42 0.00 0.00 57.03 58.09 1nkl h ASP 25 Cb 1.89 0.07 -0.08 0.00 1.72 0.00 0.00 39.33 42.93 1nkl h ASP 25 CO -0.77 0.16 0.62 0.74 -2.88 0.00 0.00 179.24 177.12 1nkl h THR 26 N -0.79 0.90 -0.06 2.25 2.02 -1.53 0.25 112.91 115.94 1nkl h THR 26 Ca -0.03 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 1nkl h THR 26 Cb 0.51 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1nkl h THR 26 CO 0.05 0.17 0.03 0.58 0.37 0.00 0.00 175.52 176.73 1nkl h VAL 27 N 0.94 1.10 -0.30 3.16 2.07 -1.25 0.64 116.25 122.61 1nkl h VAL 27 Ca 0.49 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.75 1nkl h VAL 27 Cb 0.54 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1nkl h VAL 27 CO -0.26 0.08 0.13 0.74 0.02 0.00 0.00 177.57 178.28 1nkl h THR 28 N -0.01 0.96 -0.11 2.57 2.02 0.07 0.10 112.91 118.51 1nkl h THR 28 Ca 0.02 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 1nkl h THR 28 Cb 0.11 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1nkl h THR 28 CO -0.00 0.05 -0.08 0.06 0.37 0.00 0.00 175.52 175.92 1nkl h GLN 29 N 0.29 0.26 -0.53 6.66 3.07 -0.81 -0.04 115.11 124.00 1nkl h GLN 29 Ca 0.13 -0.12 0.03 0.00 0.09 0.00 0.00 58.65 58.78 1nkl h GLN 29 Cb 0.06 -0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.59 1nkl h GLN 29 CO -0.10 0.63 0.35 0.00 0.09 0.00 0.00 178.83 179.80 1nkl h ALA 30 N 0.62 1.75 0.02 0.06 0.00 -0.71 -1.31 119.26 119.69 1nkl h ALA 30 Ca 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1nkl h ALA 30 Cb 0.57 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1nkl h ALA 30 CO 0.02 0.19 -0.22 0.00 0.00 0.00 0.00 179.25 179.24 1nkl h ALA 31 N 1.69 0.00 -0.49 0.00 0.00 -0.76 0.46 119.26 120.17 1nkl h ALA 31 Ca 0.21 -0.50 0.14 0.00 0.00 0.00 0.00 54.91 54.77 1nkl h ALA 31 Cb 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1nkl h ALA 31 CO -0.06 0.08 0.37 0.66 0.00 0.00 0.00 179.25 180.30 1nkl h SER 32 N -0.67 0.00 0.73 0.00 4.64 -0.70 -0.11 113.55 117.44 1nkl h SER 32 Ca -0.03 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.08 1nkl h SER 32 Cb 1.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 1nkl h SER 32 CO 0.04 0.00 -1.39 1.56 -0.87 0.00 0.00 176.83 176.18 1nkl h GLN 33 N 0.00 0.00 -0.95 4.77 1.08 -1.24 -3.23 115.11 115.54 1nkl h GLN 33 Ca 0.23 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1nkl h GLN 33 Cb 0.97 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.36 1nkl h GLN 33 CO -0.00 0.46 0.57 -0.24 -0.95 0.00 0.00 178.83 178.67 1nkl h VAL 34 N 0.00 1.26 0.26 -0.54 3.04 0.18 0.95 116.25 121.40 1nkl h VAL 34 Ca -0.17 -0.55 -0.01 0.00 -1.01 0.00 0.00 66.70 64.95 1nkl h VAL 34 Cb 1.74 -0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1nkl h VAL 34 CO 0.07 0.27 -0.12 0.00 -1.01 0.00 0.00 177.57 176.77 1nkl h ASP 36 N -0.79 0.45 -0.16 0.00 3.58 -1.46 -3.10 116.42 114.94 1nkl h ASP 36 Ca -0.04 0.10 -0.18 0.00 0.42 0.00 0.00 57.03 57.33 1nkl h ASP 36 Cb 0.51 0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.60 1nkl h ASP 36 CO 0.06 0.19 -0.61 0.50 -2.88 0.00 0.00 179.24 176.49 1nkl h LYS 37 N 0.57 0.69 -5.52 0.28 3.64 -0.78 -3.20 116.57 112.26 1nkl h LYS 37 Ca 0.45 -0.53 -0.69 0.00 -1.27 0.00 0.00 60.65 58.60 1nkl h LYS 37 Cb 0.64 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.48 1nkl h LYS 37 CO -0.37 1.15 2.28 1.28 -2.27 0.00 0.00 179.45 181.52 1nkl n LEU 38 N -4.09 5.23 -4.85 5.20 4.77 0.08 -4.97 117.00 118.38 1nkl n LEU 38 Ca -0.07 -3.99 -0.30 0.00 -0.03 0.00 0.00 56.01 51.61 1nkl n LEU 38 Cb 0.66 -1.73 0.05 0.00 -2.33 0.00 0.00 43.42 40.07 1nkl n LEU 38 CO 0.49 0.33 0.73 -1.59 -1.33 0.00 0.00 177.39 176.02 1nkl s LYS 39 N 3.88 2.83 0.00 3.23 -2.85 -1.21 -1.59 119.74 124.03 1nkl s LYS 39 Ca 0.52 0.63 0.00 0.00 -1.00 0.00 0.00 55.97 56.12 1nkl s LYS 39 Cb 0.05 -2.00 0.00 0.00 -2.06 0.00 0.00 37.83 33.82 1nkl s LYS 39 CO 0.05 -1.09 0.00 -0.89 0.10 0.00 0.00 175.35 173.52 1nkl n ILE 40 N -3.08 0.00 1.65 3.79 5.41 -1.26 -4.33 119.36 121.54 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 0.56 0.00 0.17 0.00 -0.71 0.00 0.00 39.64 39.65 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 0.62 -0.21 1.39 -0.00 -1.23 -3.58 117.00 113.99 1nkl n LEU 41 Ca 0.00 -0.30 0.04 0.00 -0.00 0.00 0.00 56.01 55.75 1nkl n LEU 41 Cb 0.00 -0.07 0.31 0.00 -0.00 0.00 0.00 43.42 43.66 1nkl n LEU 41 CO 0.00 0.15 1.23 -0.09 -0.00 0.00 0.00 177.39 178.68 1nkl h ARG 42 N 0.71 0.84 0.14 1.96 2.43 -1.46 -2.41 114.38 116.60 1nkl h ARG 42 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1nkl h ARG 42 Cb 0.16 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1nkl h ARG 42 CO 0.00 0.56 -0.13 0.78 -1.51 0.00 0.00 179.97 179.66 1nkl h GLY 43 N 0.87 -0.28 0.94 2.80 0.00 -1.88 -0.72 103.07 104.80 1nkl h GLY 43 Ca 0.31 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 1nkl h GLY 43 CO -0.10 -0.14 0.12 -2.00 0.00 0.00 0.00 176.54 174.43 1nkl h LEU 44 N -0.30 0.29 -0.40 3.11 5.85 -1.73 -0.42 115.31 121.71 1nkl h LEU 44 Ca 0.00 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.71 1nkl h LEU 44 Cb 0.28 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 1nkl h LEU 44 CO -0.03 0.31 -0.09 0.00 -0.34 0.00 0.00 178.44 178.28 1nkl h LYS 46 N 0.01 1.11 0.15 0.00 1.79 -0.75 -1.22 116.57 117.66 1nkl h LYS 46 Ca 0.19 -0.26 0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1nkl h LYS 46 Cb 0.29 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1nkl h LYS 46 CO -0.41 0.98 -0.18 -0.22 -1.08 0.00 0.00 179.45 178.54 1nkl h LYS 47 N 1.06 -0.36 0.16 3.15 3.64 -0.16 0.13 116.57 124.20 1nkl h LYS 47 Ca 0.22 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1nkl h LYS 47 Cb 0.36 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1nkl h LYS 47 CO 0.00 -0.24 -0.22 0.82 -2.27 0.00 0.00 179.45 177.55 1nkl h ILE 48 N -0.37 0.52 0.00 2.00 2.04 -0.96 -1.99 117.51 118.76 1nkl h ILE 48 Ca 0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1nkl h ILE 48 Cb 0.36 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1nkl h ILE 48 CO -0.06 0.00 -0.13 0.24 0.00 0.00 0.00 178.15 178.20 1nkl h MET 49 N -0.43 0.00 -0.13 2.37 2.86 -1.06 0.10 114.93 118.64 1nkl h MET 49 Ca 0.01 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.50 1nkl h MET 49 Cb 0.43 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.10 1nkl h MET 49 CO -0.09 0.13 -0.53 -0.09 1.06 0.00 0.00 176.91 177.39 1nkl h ARG 50 N 0.00 0.58 0.05 1.72 9.65 -0.39 -2.74 114.38 123.26 1nkl h ARG 50 Ca -0.00 -0.46 -0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1nkl h ARG 50 Cb 0.50 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 1nkl h ARG 50 CO 0.02 1.08 -0.02 1.03 2.80 0.00 0.00 179.97 184.87 1nkl h SER 51 N 0.22 -0.06 -2.05 -3.80 0.87 -0.69 -3.40 113.55 104.64 1nkl h SER 51 Ca -0.03 -0.40 -0.52 0.00 -1.23 0.00 0.00 61.79 59.60 1nkl h SER 51 Cb 1.16 0.01 -0.40 0.00 -0.44 0.00 0.00 62.40 62.73 1nkl h SER 51 CO 0.11 0.38 -1.06 0.49 -0.53 0.00 0.00 176.83 176.23 1nkl n PHE 52 N -4.91 0.80 0.05 2.24 3.72 0.30 -5.02 117.46 114.64 1nkl n PHE 52 Ca -0.08 -3.80 -0.02 0.00 -0.05 0.00 0.00 57.45 53.50 1nkl n PHE 52 Cb 0.24 -0.42 -0.01 0.00 -0.94 0.00 0.00 39.48 38.34 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 3.34 -0.13 -0.71 4.37 6.46 -1.66 -2.96 115.31 124.03 1nkl h LEU 53 Ca 0.10 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1nkl h LEU 53 Cb 0.86 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.83 1nkl h LEU 53 CO 0.56 -0.08 0.00 -1.14 -0.62 0.00 0.00 178.44 177.15 1nkl n ARG 54 N -2.44 0.15 0.01 1.25 0.00 -1.26 -1.65 116.66 112.70 1nkl n ARG 54 Ca -0.02 0.44 -0.12 0.00 -0.00 0.00 0.00 57.85 58.16 1nkl n ARG 54 Cb 0.06 -1.82 -0.07 0.00 0.00 0.00 0.00 32.46 30.63 1nkl n ARG 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nkl h ARG 55 N 0.00 0.07 -0.11 -0.14 2.47 -1.94 -0.34 114.38 114.39 1nkl h ARG 55 Ca 0.00 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1nkl h ARG 55 Cb 0.26 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 1nkl h ARG 55 CO 0.00 0.17 0.04 0.82 0.56 0.00 0.00 179.97 181.57 1nkl h ILE 56 N -0.05 1.05 -0.02 2.04 1.08 -1.24 0.29 117.51 120.66 1nkl h ILE 56 Ca 0.02 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 1nkl h ILE 56 Cb 0.13 0.92 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1nkl h ILE 56 CO -0.00 0.06 -0.03 -1.28 -0.69 0.00 0.00 178.15 176.20 1nkl h SER 57 N 0.15 0.06 -0.57 1.72 0.87 -1.55 -1.94 113.55 112.30 1nkl h SER 57 Ca 0.04 -0.53 0.12 0.00 -1.23 0.00 0.00 61.79 60.19 1nkl h SER 57 Cb 0.03 -0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 61.87 1nkl h SER 57 CO -0.00 0.58 -0.08 -0.25 -0.53 0.00 0.00 176.83 176.54 1nkl h TRP 58 N -0.45 -0.19 -0.34 2.24 7.01 0.13 0.22 115.95 124.56 1nkl h TRP 58 Ca 0.00 0.05 0.08 0.00 2.11 0.00 0.00 58.89 61.13 1nkl h TRP 58 Cb 0.56 0.17 -0.08 0.00 -2.10 0.00 0.00 29.16 27.72 1nkl h TRP 58 CO 0.11 -0.21 -0.19 -0.44 -2.79 0.00 0.00 178.44 174.92 1nkl h ASP 59 N 0.04 -0.64 0.40 2.65 3.45 -0.97 0.72 116.42 122.08 1nkl h ASP 59 Ca 0.28 0.14 -0.02 0.00 0.43 0.00 0.00 57.03 57.86 1nkl h ASP 59 Cb 0.44 0.34 0.00 0.00 -0.56 0.00 0.00 39.33 39.55 1nkl h ASP 59 CO -0.54 -0.22 -0.19 0.40 -1.57 0.00 0.00 179.24 177.11 1nkl h ILE 60 N -0.14 0.61 -0.20 0.35 1.08 -0.46 -1.79 117.51 116.97 1nkl h ILE 60 Ca 0.17 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 1nkl h ILE 60 Cb 0.41 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 1nkl h ILE 60 CO -0.43 0.02 0.08 -0.07 -0.69 0.00 0.00 178.15 177.06 1nkl h LEU 61 N -0.59 0.24 -0.61 1.44 3.38 -0.27 0.12 115.31 119.02 1nkl h LEU 61 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1nkl h LEU 61 Cb 0.44 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1nkl h LEU 61 CO 0.09 0.22 0.00 0.35 0.09 0.00 0.00 178.44 179.19 1nkl n THR 62 N -4.46 0.18 -4.31 0.22 -2.24 0.22 -4.90 114.28 98.98 1nkl n THR 62 Ca -0.00 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.33 1nkl n THR 62 Cb 0.11 -0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.47 -0.18 3.82 3.38 0.00 0.40 -4.93 105.19 108.16 1nkl n GLY 63 Ca 0.03 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -7.27 4.16 0.70 1.61 2.20 -0.67 -5.04 119.74 115.42 1nkl s LYS 64 Ca 0.14 0.71 -0.12 0.00 -0.36 0.00 0.00 55.97 56.33 1nkl s LYS 64 Cb -0.08 -3.05 0.02 0.00 -1.51 0.00 0.00 37.83 33.21 1nkl s LYS 64 CO 0.99 0.52 1.08 0.15 -0.36 0.00 0.00 175.35 177.73 1nkl s LYS 65 N -1.61 2.73 0.09 4.03 3.01 -1.26 -4.71 119.74 122.01 1nkl s LYS 65 Ca 0.36 1.15 -0.27 0.00 -1.01 0.00 0.00 55.97 56.20 1nkl s LYS 65 Cb -0.17 -1.96 -0.16 0.00 -1.01 0.00 0.00 37.83 34.53 1nkl s LYS 65 CO 0.20 -1.27 1.69 -1.00 0.51 0.00 0.00 175.35 175.47 1nkl h PRO 66 N -0.54 -0.36 -0.92 -1.68 0.13 -1.96 0.95 132.00 127.62 1nkl h PRO 66 Ca -0.45 0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.80 1nkl h PRO 66 Cb 1.23 0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.36 1nkl h PRO 66 CO 0.54 -0.24 0.57 0.37 -0.23 0.00 0.00 178.00 179.01 1nkl h GLN 67 N -0.38 0.93 0.12 0.86 -0.00 -1.94 -0.83 115.11 113.88 1nkl h GLN 67 Ca -0.03 -0.06 -0.28 0.00 -0.00 0.00 0.00 58.65 58.28 1nkl h GLN 67 Cb 0.30 -0.21 0.02 0.00 0.00 0.00 0.00 27.48 27.59 1nkl h GLN 67 CO 0.04 0.61 -1.22 0.00 0.00 0.00 0.00 178.83 178.26 1nkl h ALA 68 N 1.48 0.07 -0.31 3.38 0.00 -1.83 -2.20 119.26 119.85 1nkl h ALA 68 Ca 0.44 -0.81 0.06 0.00 0.00 0.00 0.00 54.91 54.60 1nkl h ALA 68 Cb 0.34 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1nkl h ALA 68 CO -0.23 0.79 -0.07 0.82 0.00 0.00 0.00 179.25 180.57 1nkl h ILE 69 N 0.19 0.70 -0.61 0.00 2.04 -0.18 0.22 117.51 119.87 1nkl h ILE 69 Ca -0.16 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1nkl h ILE 69 Cb 1.91 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 1nkl h ILE 69 CO 0.22 0.00 0.34 0.00 0.00 0.00 0.00 178.15 178.71 1nkl h VAL 71 N 0.82 1.33 -0.13 0.00 2.07 -0.76 0.55 116.25 120.13 1nkl h VAL 71 Ca 0.21 -1.78 0.05 0.00 0.82 0.00 0.00 66.70 66.00 1nkl h VAL 71 Cb 0.03 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 1nkl h VAL 71 CO -0.04 0.55 -0.38 -0.78 0.02 0.00 0.00 177.57 176.94 1nkl h ASP 72 N 0.36 -1.17 -0.22 0.57 3.58 -0.34 -1.04 116.42 118.15 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 1.04 0.49 0.00 0.00 1.72 0.00 0.00 39.33 42.58 1nkl h ASP 72 CO 0.09 -0.40 0.00 2.30 -2.88 0.00 0.00 179.24 178.36 1nkl n ILE 73 N -5.43 0.29 -2.82 2.25 -5.35 -0.73 -4.99 119.36 102.58 1nkl n ILE 73 Ca -0.04 -0.42 -0.05 0.00 -0.27 0.00 0.00 62.75 61.97 1nkl n ILE 73 Cb 0.35 0.44 0.01 0.00 -1.74 0.00 0.00 39.64 38.70 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 0.52 -2.85 0.00 6.28 0.00 -0.39 -5.00 118.16 116.72 1nkl n LYS 74 Ca 0.16 2.39 0.00 0.00 0.00 0.00 0.00 58.31 60.86 1nkl n LYS 74 Cb 0.37 -5.32 0.00 0.00 0.00 0.00 0.00 35.03 30.08 1nkl n LYS 74 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1nkl n ILE 75 N 0.22 0.00 -3.95 3.15 5.41 0.18 -4.99 119.36 119.38 1nkl n ILE 75 Ca 0.05 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.56 1nkl n ILE 75 Cb 0.25 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.14 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 -1.48 -1.59 0.00 0.00 0.00 -1.26 -4.28 118.16 109.55 1nkl n LYS 77 Ca -0.01 0.69 0.14 0.00 0.00 0.00 0.00 58.31 59.13 1nkl n LYS 77 Cb 0.64 -5.04 0.53 0.00 0.00 0.00 0.00 35.03 31.16 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79