#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 0.68 -1.07 1.61 3.20 -1.93 -0.56 116.97 118.91 1nkl h TYR 2 Ca 0.00 0.05 0.38 0.00 3.14 0.00 0.00 58.73 62.30 1nkl h TYR 2 Cb 0.00 -0.13 -0.16 0.00 1.54 0.00 0.00 36.73 37.98 1nkl h TYR 2 CO 0.00 -0.40 0.62 0.74 -1.64 0.00 0.00 178.16 177.48 1nkl h PHE 3 N 0.07 0.81 -0.18 -3.82 -1.00 -1.89 -1.90 116.94 109.04 1nkl h PHE 3 Ca 0.77 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 61.59 1nkl h PHE 3 Cb 1.92 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 41.27 1nkl h PHE 3 CO -0.10 -0.29 0.11 0.00 -1.61 0.00 0.00 178.31 176.41 1nkl h GLU 5 N 0.21 -1.08 -0.63 0.00 4.22 -1.53 -0.57 114.58 115.19 1nkl h GLU 5 Ca 0.06 0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.52 1nkl h GLU 5 Cb 0.03 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1nkl h GLU 5 CO -0.01 -0.72 0.15 0.77 -2.18 0.00 0.00 179.01 177.02 1nkl h SER 6 N -1.12 0.92 0.08 1.04 0.02 -1.44 0.56 113.55 113.60 1nkl h SER 6 Ca -0.09 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.69 1nkl h SER 6 Cb 0.92 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1nkl h SER 6 CO 0.06 0.89 -0.13 0.00 -1.14 0.00 0.00 176.83 176.52 1nkl h ARG 8 N -0.26 0.48 -0.29 0.00 1.12 -0.45 -0.01 114.38 114.97 1nkl h ARG 8 Ca 0.02 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1nkl h ARG 8 Cb 0.27 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.11 1nkl h ARG 8 CO -0.07 0.32 0.18 -0.22 -3.11 0.00 0.00 179.97 177.07 1nkl h LYS 9 N 0.49 0.40 0.12 0.20 3.64 -0.60 -0.03 116.57 120.79 1nkl h LYS 9 Ca 0.26 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1nkl h LYS 9 Cb 0.22 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1nkl h LYS 9 CO -0.21 0.30 -0.06 0.82 -2.27 0.00 0.00 179.45 178.03 1nkl h ILE 10 N 0.38 0.93 0.37 2.00 2.04 0.15 -0.21 117.51 123.17 1nkl h ILE 10 Ca 0.11 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1nkl h ILE 10 Cb 0.00 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1nkl h ILE 10 CO -0.02 0.04 -0.18 0.40 0.00 0.00 0.00 178.15 178.39 1nkl h ILE 11 N -0.23 0.64 -0.88 -0.67 1.08 -0.99 -1.82 117.51 114.64 1nkl h ILE 11 Ca -0.02 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.48 1nkl h ILE 11 Cb 0.18 0.64 -0.05 0.00 -3.07 0.00 0.00 36.82 34.52 1nkl h ILE 11 CO 0.03 0.00 0.58 1.56 -0.69 0.00 0.00 178.15 179.63 1nkl h GLN 12 N -0.50 1.10 0.00 2.37 1.08 -0.92 0.36 115.11 118.61 1nkl h GLN 12 Ca -0.05 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 56.99 1nkl h GLN 12 Cb 0.38 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1nkl h GLN 12 CO 0.08 0.73 -0.46 -0.22 -0.95 0.00 0.00 178.83 178.01 1nkl h LYS 13 N 1.13 0.00 -0.34 1.46 3.11 -0.91 -0.18 116.57 120.85 1nkl h LYS 13 Ca 0.34 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 58.01 1nkl h LYS 13 Cb -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.19 1nkl h LYS 13 CO -0.09 0.46 -0.46 1.25 -2.81 0.00 0.00 179.45 177.80 1nkl h LEU 14 N 0.00 0.99 -0.17 5.20 5.85 -0.21 -2.80 115.31 124.18 1nkl h LEU 14 Ca -0.00 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.25 1nkl h LEU 14 Cb 0.92 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1nkl h LEU 14 CO 0.06 1.29 -0.04 -0.08 -0.34 0.00 0.00 178.44 179.33 1nkl h GLU 15 N 0.72 -0.00 -1.01 1.25 4.81 -0.66 0.09 114.58 119.78 1nkl h GLU 15 Ca 0.04 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.50 1nkl h GLU 15 Cb 1.06 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.33 1nkl h GLU 15 CO 0.11 -0.00 0.61 0.22 -0.73 0.00 0.00 179.01 179.22 1nkl h ASP 16 N -0.00 0.67 0.00 1.04 1.82 -1.05 -0.27 116.42 118.63 1nkl h ASP 16 Ca 0.08 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1nkl h ASP 16 Cb 0.12 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.14 1nkl h ASP 16 CO -0.18 0.16 -0.07 0.24 -1.61 0.00 0.00 179.24 177.79 1nkl h MET 17 N 0.61 0.00 -0.75 0.28 2.86 -0.98 -3.37 114.93 113.58 1nkl h MET 17 Ca 0.61 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.23 1nkl h MET 17 Cb 1.15 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.78 1nkl h MET 17 CO -0.41 0.00 0.37 -0.24 1.06 0.00 0.00 176.91 177.70 1nkl h VAL 18 N -0.95 1.23 0.00 -2.22 3.04 -1.03 -3.49 116.25 112.84 1nkl h VAL 18 Ca 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 1nkl h VAL 18 Cb 0.07 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 29.61 1nkl h VAL 18 CO 0.00 0.27 0.00 0.61 -1.01 0.00 0.00 177.57 177.44 1nkl n GLY 19 N -1.10 0.50 3.68 3.17 0.00 -0.12 -4.89 105.19 106.44 1nkl n GLY 19 Ca 0.07 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.16 0.00 1.61 0.04 -1.26 -4.71 135.00 130.51 1nkl s PRO 20 Ca 0.00 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.17 1nkl s PRO 20 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1nkl s PRO 20 CO 0.00 -3.05 0.00 1.04 0.04 0.00 0.00 177.00 175.03 1nkl n GLN 21 N -4.33 0.00 -2.00 4.56 3.00 -1.26 -4.90 117.38 112.46 1nkl n GLN 21 Ca 0.10 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.89 1nkl n GLN 21 Cb 0.59 0.00 0.12 0.00 0.00 0.00 0.00 30.24 30.94 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 0.00 -0.27 -4.12 -1.09 -0.04 -1.26 -5.13 135.00 123.08 1nkl n PRO 22 Ca 0.00 -2.04 -0.08 0.00 -0.04 0.00 0.00 63.50 61.34 1nkl n PRO 22 Cb 0.00 -0.69 -0.10 0.00 -0.04 0.00 0.00 33.50 32.67 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 -4.45 0.69 0.34 3.54 2.20 -1.26 -4.96 114.94 111.05 1nkl s ASN 23 Ca 0.55 -1.01 0.14 0.00 -0.94 0.00 0.00 52.86 51.61 1nkl s ASN 23 Cb -0.03 0.17 1.12 0.00 -2.00 0.00 0.00 41.25 40.51 1nkl s ASN 23 CO 0.37 -0.56 1.60 -0.08 -2.94 0.00 0.00 177.10 175.50 1nkl h GLU 24 N 3.09 0.10 0.43 3.55 4.57 -1.99 -0.13 114.58 124.20 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 0.66 0.06 -0.21 0.22 -1.18 0.00 0.00 179.01 178.56 1nkl h ASP 25 N 0.10 -0.49 -0.74 1.04 3.58 -1.98 -1.98 116.42 115.95 1nkl h ASP 25 Ca 0.75 -0.09 0.06 0.00 0.42 0.00 0.00 57.03 58.16 1nkl h ASP 25 Cb 1.82 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 42.95 1nkl h ASP 25 CO -0.75 -0.08 0.48 0.74 -2.88 0.00 0.00 179.24 176.76 1nkl h THR 26 N -1.02 1.05 -0.15 2.25 2.02 -1.61 0.22 112.91 115.66 1nkl h THR 26 Ca -0.06 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1nkl h THR 26 Cb 0.55 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1nkl h THR 26 CO 0.10 0.15 0.00 0.58 0.37 0.00 0.00 175.52 176.72 1nkl h VAL 27 N 0.81 1.25 -0.51 3.16 2.07 -1.14 -0.78 116.25 121.11 1nkl h VAL 27 Ca 0.31 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 67.04 1nkl h VAL 27 Cb 0.20 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1nkl h VAL 27 CO -0.10 0.24 0.28 0.74 0.02 0.00 0.00 177.57 178.76 1nkl h THR 28 N 0.01 1.01 -0.06 2.57 2.02 0.11 0.23 112.91 118.80 1nkl h THR 28 Ca 0.04 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1nkl h THR 28 Cb 0.36 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1nkl h THR 28 CO 0.01 0.10 -0.04 0.06 0.37 0.00 0.00 175.52 176.02 1nkl h GLN 29 N 0.56 0.14 -0.33 6.66 3.07 -0.85 0.14 115.11 124.50 1nkl h GLN 29 Ca 0.22 -0.07 0.04 0.00 0.09 0.00 0.00 58.65 58.93 1nkl h GLN 29 Cb 0.07 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.62 1nkl h GLN 29 CO -0.12 0.54 0.22 0.00 0.09 0.00 0.00 178.83 179.56 1nkl h ALA 30 N 0.60 1.94 0.04 0.06 0.00 -0.89 -1.71 119.26 119.30 1nkl h ALA 30 Ca 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1nkl h ALA 30 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nkl h ALA 30 CO 0.01 0.01 -0.28 0.00 0.00 0.00 0.00 179.25 178.99 1nkl h ALA 31 N 1.82 -0.01 -0.48 0.00 0.00 -0.48 0.46 119.26 120.57 1nkl h ALA 31 Ca 0.14 -0.59 0.13 0.00 0.00 0.00 0.00 54.91 54.59 1nkl h ALA 31 Cb 0.19 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1nkl h ALA 31 CO -0.03 0.14 0.34 0.66 0.00 0.00 0.00 179.25 180.36 1nkl h SER 32 N -0.84 0.08 1.08 0.00 4.64 -0.75 0.99 113.55 118.75 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 0.04 -0.84 1.56 -0.87 0.00 0.00 176.83 176.75 1nkl h GLN 33 N 0.08 0.00 -0.51 4.77 1.08 -1.35 -3.17 115.11 116.02 1nkl h GLN 33 Ca 0.23 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.42 1nkl h GLN 33 Cb 0.80 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.21 1nkl h GLN 33 CO -0.02 0.00 0.29 -0.24 -0.95 0.00 0.00 178.83 177.91 1nkl h VAL 34 N 0.00 1.17 -0.06 -0.54 3.04 0.26 0.17 116.25 120.28 1nkl h VAL 34 Ca 0.00 -0.42 -0.02 0.00 -1.01 0.00 0.00 66.70 65.26 1nkl h VAL 34 Cb 0.96 0.52 -0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1nkl h VAL 34 CO 0.00 0.18 -0.03 0.00 -1.01 0.00 0.00 177.57 176.70 1nkl h ASP 36 N -0.26 -0.23 0.02 0.00 1.82 -1.35 -2.82 116.42 113.60 1nkl h ASP 36 Ca 0.01 0.12 -0.19 0.00 -0.39 0.00 0.00 57.03 56.58 1nkl h ASP 36 Cb 0.48 0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.71 1nkl h ASP 36 CO 0.01 -0.08 -0.69 0.50 -1.61 0.00 0.00 179.24 177.37 1nkl h LYS 37 N 0.10 0.62 -5.91 0.28 3.64 -0.71 -3.36 116.57 111.24 1nkl h LYS 37 Ca 0.24 -0.47 -0.42 0.00 -1.27 0.00 0.00 60.65 58.73 1nkl h LYS 37 Cb 0.36 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.21 1nkl h LYS 37 CO -0.41 1.09 1.06 -0.51 -2.27 0.00 0.00 179.45 178.41 1nkl s LEU 38 N -8.27 3.26 0.66 5.20 1.43 -0.11 -4.99 118.68 115.88 1nkl s LEU 38 Ca -0.08 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 1nkl s LEU 38 Cb 0.10 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 1nkl s LEU 38 CO 0.87 -2.32 1.05 -1.59 0.23 0.00 0.00 176.35 174.59 1nkl s LYS 39 N 6.45 3.22 0.00 1.70 -2.85 -1.26 -1.98 119.74 125.03 1nkl s LYS 39 Ca 0.61 0.79 0.00 0.00 -1.00 0.00 0.00 55.97 56.37 1nkl s LYS 39 Cb -0.06 -2.03 0.00 0.00 -2.06 0.00 0.00 37.83 33.67 1nkl s LYS 39 CO 0.03 -0.85 0.00 -0.89 0.10 0.00 0.00 175.35 173.74 1nkl n ILE 40 N -2.94 0.00 1.15 3.79 5.41 -1.26 -4.40 119.36 121.10 1nkl n ILE 40 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.83 1nkl n ILE 40 Cb 0.54 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 39.53 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 1.22 -0.07 1.39 7.94 -1.24 -3.92 117.00 122.32 1nkl n LEU 41 Ca 0.00 -0.61 -0.08 0.00 -1.11 0.00 0.00 56.01 54.21 1nkl n LEU 41 Cb 0.00 -0.31 -0.01 0.00 0.53 0.00 0.00 43.42 43.63 1nkl n LEU 41 CO 0.00 0.24 0.94 -0.09 -1.11 0.00 0.00 177.39 177.37 1nkl h ARG 42 N 0.68 0.24 0.72 1.96 9.65 -1.60 -2.83 114.38 123.21 1nkl h ARG 42 Ca 0.00 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 1nkl h ARG 42 Cb 0.46 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1nkl h ARG 42 CO 0.04 0.16 -0.44 0.78 2.80 0.00 0.00 179.97 183.31 1nkl h GLY 43 N 0.25 -1.20 0.97 2.80 0.00 -1.88 -1.74 103.07 102.27 1nkl h GLY 43 Ca 0.12 0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.94 1nkl h GLY 43 CO -0.10 -0.41 0.16 -2.00 0.00 0.00 0.00 176.54 174.19 1nkl h LEU 44 N -1.09 0.32 0.13 3.11 5.85 -1.87 -2.00 115.31 119.76 1nkl h LEU 44 Ca -0.09 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.59 1nkl h LEU 44 Cb 0.88 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 1nkl h LEU 44 CO 0.09 0.28 -0.51 0.00 -0.34 0.00 0.00 178.44 177.97 1nkl h LYS 46 N -0.74 1.19 -0.11 0.00 1.79 -1.21 -1.07 116.57 116.42 1nkl h LYS 46 Ca -0.00 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1nkl h LYS 46 Cb 0.75 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 1nkl h LYS 46 CO -0.28 0.80 0.07 -0.22 -1.08 0.00 0.00 179.45 178.74 1nkl h LYS 47 N 1.22 0.15 0.36 3.15 1.63 -0.90 -1.02 116.57 121.17 1nkl h LYS 47 Ca 0.33 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.11 1nkl h LYS 47 Cb -0.12 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 1nkl h LYS 47 CO -0.07 0.12 -0.42 0.82 -3.45 0.00 0.00 179.45 176.45 1nkl h ILE 48 N 0.14 0.15 -0.02 2.00 2.04 -0.51 -2.80 117.51 118.52 1nkl h ILE 48 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1nkl h ILE 48 Cb -0.00 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1nkl h ILE 48 CO -0.01 0.00 0.03 0.24 0.00 0.00 0.00 178.15 178.41 1nkl h MET 49 N -0.82 0.00 0.16 2.37 2.86 -1.00 0.21 114.93 118.72 1nkl h MET 49 Ca -0.03 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1nkl h MET 49 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 1nkl h MET 49 CO -0.10 0.00 -0.08 -0.09 1.06 0.00 0.00 176.91 177.70 1nkl h ARG 50 N 0.00 -0.21 0.00 1.72 9.65 -0.91 -1.12 114.38 123.52 1nkl h ARG 50 Ca 0.01 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1nkl h ARG 50 Cb 0.06 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1nkl h ARG 50 CO -0.00 -0.03 -0.38 0.45 2.80 0.00 0.00 179.97 182.81 1nkl n SER 51 N -5.12 0.74 -2.30 -3.80 2.88 -0.49 -4.27 113.62 101.25 1nkl n SER 51 Ca -0.09 0.29 -0.07 0.00 -1.33 0.00 0.00 58.87 57.67 1nkl n SER 51 Cb 0.16 -0.21 0.05 0.00 -0.75 0.00 0.00 64.21 63.46 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 -2.16 1.58 0.00 0.66 3.01 0.64 -4.93 117.46 116.25 1nkl n PHE 52 Ca 0.04 -1.98 0.00 0.00 1.01 0.00 0.00 57.45 56.52 1nkl n PHE 52 Cb 0.43 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1nkl n PHE 52 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1nkl n LEU 53 N -0.57 0.01 0.27 4.37 -0.00 -0.43 -0.91 117.00 119.75 1nkl n LEU 53 Ca 0.20 0.95 0.18 0.00 -0.00 0.00 0.00 56.01 57.34 1nkl n LEU 53 Cb 0.88 -0.47 0.81 0.00 -0.00 0.00 0.00 43.42 44.64 1nkl n LEU 53 CO 0.17 -0.47 1.03 -0.09 -0.00 0.00 0.00 177.39 178.02 1nkl h ARG 54 N 0.00 0.00 0.46 1.96 2.43 -1.93 -2.53 114.38 114.77 1nkl h ARG 54 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1nkl h ARG 54 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1nkl h ARG 54 CO 0.00 0.00 -0.22 0.00 -1.51 0.00 0.00 179.97 178.24 1nkl h ARG 55 N 0.00 -0.60 0.00 0.20 3.08 -1.86 -0.12 114.38 115.08 1nkl h ARG 55 Ca 0.00 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1nkl h ARG 55 Cb 0.34 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1nkl h ARG 55 CO 0.00 -0.32 -0.03 0.82 -1.07 0.00 0.00 179.97 179.37 1nkl h ILE 56 N -0.79 0.60 0.45 2.04 1.08 -0.60 -0.02 117.51 120.27 1nkl h ILE 56 Ca -0.06 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1nkl h ILE 56 Cb 0.55 1.08 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1nkl h ILE 56 CO 0.10 0.03 -0.22 -1.28 -0.69 0.00 0.00 178.15 176.10 1nkl h SER 57 N 0.00 -0.51 -0.72 1.72 0.87 -1.23 -2.03 113.55 111.64 1nkl h SER 57 Ca -0.00 -0.09 0.16 0.00 -1.23 0.00 0.00 61.79 60.63 1nkl h SER 57 Cb 0.07 0.13 -0.13 0.00 -0.44 0.00 0.00 62.40 62.03 1nkl h SER 57 CO 0.00 -0.11 -0.06 -0.25 -0.53 0.00 0.00 176.83 175.88 1nkl h TRP 58 N -1.01 -0.17 0.01 2.24 7.01 -0.34 0.21 115.95 123.91 1nkl h TRP 58 Ca -0.06 0.06 0.03 0.00 2.11 0.00 0.00 58.89 61.02 1nkl h TRP 58 Cb 0.57 0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 27.76 1nkl h TRP 58 CO 0.02 -0.26 -0.46 -0.44 -2.79 0.00 0.00 178.44 174.51 1nkl h ASP 59 N 0.06 -1.39 -0.43 2.65 3.45 -0.95 0.46 116.42 120.28 1nkl h ASP 59 Ca 0.38 0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.99 1nkl h ASP 59 Cb 0.63 0.54 -0.02 0.00 -0.56 0.00 0.00 39.33 39.92 1nkl h ASP 59 CO -0.68 -0.49 0.23 0.40 -1.57 0.00 0.00 179.24 177.14 1nkl h ILE 60 N -0.62 1.16 -0.72 0.35 5.03 -0.67 -1.77 117.51 120.27 1nkl h ILE 60 Ca 0.03 -0.40 -0.01 0.00 -0.12 0.00 0.00 64.86 64.37 1nkl h ILE 60 Cb 0.68 0.64 -0.04 0.00 -3.03 0.00 0.00 36.82 35.08 1nkl h ILE 60 CO -0.32 0.16 0.42 -0.07 -0.68 0.00 0.00 178.15 177.66 1nkl h LEU 61 N 0.55 0.86 -0.07 1.44 3.38 -0.24 0.15 115.31 121.39 1nkl h LEU 61 Ca 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1nkl h LEU 61 Cb 0.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1nkl h LEU 61 CO -0.02 0.67 0.00 0.35 0.09 0.00 0.00 178.44 179.53 1nkl n THR 62 N -4.38 0.00 -4.29 0.22 -2.24 0.12 -4.89 114.28 98.83 1nkl n THR 62 Ca 0.07 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.53 1nkl n THR 62 Cb 0.08 -0.05 -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 0.43 -0.16 3.82 3.38 0.00 0.52 -4.89 105.19 108.30 1nkl n GLY 63 Ca 0.00 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -7.19 4.19 0.71 1.61 2.20 -0.67 -5.01 119.74 115.57 1nkl s LYS 64 Ca 0.14 0.75 -0.12 0.00 -0.36 0.00 0.00 55.97 56.38 1nkl s LYS 64 Cb -0.08 -3.02 0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1nkl s LYS 64 CO 0.97 0.50 1.08 0.15 -0.36 0.00 0.00 175.35 177.69 1nkl s LYS 65 N -1.66 2.69 0.05 4.03 3.01 -1.26 -4.77 119.74 121.83 1nkl s LYS 65 Ca 0.37 1.16 -0.23 0.00 -1.01 0.00 0.00 55.97 56.26 1nkl s LYS 65 Cb -0.18 -1.95 -0.15 0.00 -1.01 0.00 0.00 37.83 34.55 1nkl s LYS 65 CO 0.20 -1.31 1.53 -1.00 0.51 0.00 0.00 175.35 175.29 1nkl h PRO 66 N -0.58 0.12 0.00 -1.68 0.13 -1.95 0.91 132.00 128.95 1nkl h PRO 66 Ca -0.45 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1nkl h PRO 66 Cb 1.23 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1nkl h PRO 66 CO 0.54 0.32 -0.03 0.37 -0.23 0.00 0.00 178.00 178.97 1nkl h GLN 67 N -0.10 0.00 0.00 0.86 5.75 -1.94 -0.68 115.11 119.00 1nkl h GLN 67 Ca 0.02 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1nkl h GLN 67 Cb 0.25 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.80 1nkl h GLN 67 CO 0.00 0.03 -0.00 0.00 -2.65 0.00 0.00 178.83 176.21 1nkl h ALA 68 N 1.97 -0.00 -0.58 3.38 0.00 -1.79 -3.27 119.26 118.97 1nkl h ALA 68 Ca -0.00 -0.46 0.12 0.00 0.00 0.00 0.00 54.91 54.57 1nkl h ALA 68 Cb 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 1nkl h ALA 68 CO 0.00 -0.04 -0.06 0.82 0.00 0.00 0.00 179.25 179.98 1nkl h ILE 69 N -0.92 0.48 -0.85 0.00 2.04 0.00 0.18 117.51 118.44 1nkl h ILE 69 Ca -0.00 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1nkl h ILE 69 Cb 0.92 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1nkl h ILE 69 CO 0.00 0.01 0.50 0.00 0.00 0.00 0.00 178.15 178.66 1nkl h VAL 71 N 1.17 1.34 -0.46 0.00 2.07 -1.22 0.36 116.25 119.51 1nkl h VAL 71 Ca 0.30 -1.61 0.09 0.00 0.82 0.00 0.00 66.70 66.31 1nkl h VAL 71 Cb -0.03 1.91 -0.10 0.00 -1.52 0.00 0.00 31.29 31.56 1nkl h VAL 71 CO -0.05 0.49 -0.21 -0.78 0.02 0.00 0.00 177.57 177.04 1nkl h ASP 72 N 0.23 -0.73 -0.00 0.57 3.58 -0.38 -1.40 116.42 118.28 1nkl h ASP 72 Ca 0.01 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1nkl h ASP 72 Cb 0.96 0.40 0.00 0.00 1.72 0.00 0.00 39.33 42.41 1nkl h ASP 72 CO 0.08 -0.24 -0.01 2.30 -2.88 0.00 0.00 179.24 178.49 1nkl n ILE 73 N -5.40 0.00 -2.33 2.25 -5.35 -0.68 -5.00 119.36 102.85 1nkl n ILE 73 Ca 0.03 -0.27 -0.04 0.00 -0.27 0.00 0.00 62.75 62.21 1nkl n ILE 73 Cb 0.31 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 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 0.26 -1.25 0.00 6.28 4.81 -0.53 -5.04 118.16 122.69 1nkl n LYS 74 Ca 0.18 1.37 0.00 0.00 -0.87 0.00 0.00 58.31 58.99 1nkl n LYS 74 Cb 0.38 -3.98 0.00 0.00 0.02 0.00 0.00 35.03 31.45 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 -0.65 0.00 0.00 3.15 5.41 0.12 -4.98 119.36 122.41 1nkl n ILE 75 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1nkl n ILE 75 Cb 0.33 0.09 0.00 0.00 -0.71 0.00 0.00 39.64 39.35 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 -0.42 1.08 0.00 0.00 3.00 -1.26 -0.04 118.16 120.52 1nkl n LYS 77 Ca 0.00 -2.62 0.14 0.00 -0.00 0.00 0.00 58.31 55.83 1nkl n LYS 77 Cb 0.00 -1.01 0.45 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