#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 -0.35 1.61 9.36 -1.26 -4.73 117.16 121.79 1nkl n TYR 2 Ca 0.00 0.00 0.31 0.00 3.32 0.00 0.00 57.90 61.53 1nkl n TYR 2 Cb 0.00 0.00 0.57 0.00 -0.63 0.00 0.00 39.34 39.28 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 0.80 -0.21 2.98 -1.00 -1.88 -1.35 116.94 116.28 1nkl h PHE 3 Ca 0.00 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1nkl h PHE 3 Cb 0.00 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.36 1nkl h PHE 3 CO 0.00 -0.34 0.13 0.00 -1.61 0.00 0.00 178.31 176.49 1nkl h GLU 5 N 0.26 -0.59 0.09 0.00 4.22 -1.62 -0.59 114.58 116.36 1nkl h GLU 5 Ca 0.07 0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.56 1nkl h GLU 5 Cb -0.00 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1nkl h GLU 5 CO -0.02 -0.39 -0.11 0.77 -2.18 0.00 0.00 179.01 177.08 1nkl h SER 6 N -0.61 -0.29 -0.40 1.04 0.02 -1.36 0.41 113.55 112.36 1nkl h SER 6 Ca 0.00 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1nkl h SER 6 Cb 0.59 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1nkl h SER 6 CO -0.12 -0.17 0.20 0.00 -1.14 0.00 0.00 176.83 175.61 1nkl h ARG 8 N 0.41 0.03 -0.68 0.00 2.43 -0.68 -0.72 114.38 115.17 1nkl h ARG 8 Ca 0.17 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1nkl h ARG 8 Cb 0.06 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 1nkl h ARG 8 CO -0.11 0.02 0.42 -0.22 -1.51 0.00 0.00 179.97 178.57 1nkl h LYS 9 N 0.03 0.78 0.43 0.20 3.64 -0.45 0.13 116.57 121.33 1nkl h LYS 9 Ca 0.02 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1nkl h LYS 9 Cb 0.01 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1nkl h LYS 9 CO -0.02 0.51 -0.33 0.82 -2.27 0.00 0.00 179.45 178.17 1nkl h ILE 10 N 0.80 0.33 -0.39 2.00 2.04 -0.34 -1.87 117.51 120.08 1nkl h ILE 10 Ca 0.28 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.14 1nkl h ILE 10 Cb 0.07 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1nkl h ILE 10 CO -0.13 0.00 0.22 0.40 0.00 0.00 0.00 178.15 178.64 1nkl h ILE 11 N -0.75 1.15 -0.43 -0.67 1.08 -0.95 -2.48 117.51 114.46 1nkl h ILE 11 Ca -0.04 -0.38 0.06 0.00 -0.39 0.00 0.00 64.86 64.10 1nkl h ILE 11 Cb 0.64 0.69 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 1nkl h ILE 11 CO 0.00 0.15 0.14 1.56 -0.69 0.00 0.00 178.15 179.31 1nkl h GLN 12 N 0.51 0.29 0.00 2.37 1.08 -0.39 0.35 115.11 119.31 1nkl h GLN 12 Ca 0.14 -0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 57.21 1nkl h GLN 12 Cb 0.05 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1nkl h GLN 12 CO -0.02 0.19 -0.52 -0.22 -0.95 0.00 0.00 178.83 177.31 1nkl h LYS 13 N 0.29 0.00 -0.13 1.46 1.63 -1.37 -1.87 116.57 116.58 1nkl h LYS 13 Ca 0.20 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 1nkl h LYS 13 Cb 0.21 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 1nkl h LYS 13 CO -0.22 0.52 0.02 1.25 -3.45 0.00 0.00 179.45 177.57 1nkl h LEU 14 N 0.00 0.21 0.00 5.20 7.12 -0.59 -1.24 115.31 126.01 1nkl h LEU 14 Ca -0.01 -0.27 0.03 0.00 0.13 0.00 0.00 57.88 57.76 1nkl h LEU 14 Cb 1.00 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 41.04 1nkl h LEU 14 CO 0.07 0.43 -0.18 -0.08 -0.13 0.00 0.00 178.44 178.55 1nkl h GLU 15 N -0.01 -0.28 -0.21 1.25 4.81 -0.36 0.16 114.58 119.95 1nkl h GLU 15 Ca 0.04 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1nkl h GLU 15 Cb 0.31 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 1nkl h GLU 15 CO 0.00 -0.18 -0.19 0.22 -0.73 0.00 0.00 179.01 178.13 1nkl h ASP 16 N -0.29 -0.61 0.11 1.04 1.82 -1.36 -1.40 116.42 115.73 1nkl h ASP 16 Ca 0.05 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.81 1nkl h ASP 16 Cb 0.36 0.30 0.00 0.00 0.68 0.00 0.00 39.33 40.67 1nkl h ASP 16 CO -0.17 -0.24 -0.05 0.24 -1.61 0.00 0.00 179.24 177.42 1nkl h MET 17 N -0.21 -0.14 -0.33 0.28 2.86 -0.79 -3.17 114.93 113.43 1nkl h MET 17 Ca 0.12 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1nkl h MET 17 Cb 0.39 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1nkl h MET 17 CO -0.33 0.30 0.11 -0.24 1.06 0.00 0.00 176.91 177.82 1nkl h VAL 18 N -0.63 1.14 -0.19 -2.22 3.04 -0.73 -3.49 116.25 113.17 1nkl h VAL 18 Ca -0.01 -0.46 0.01 0.00 -1.01 0.00 0.00 66.70 65.23 1nkl h VAL 18 Cb 0.50 0.77 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1nkl h VAL 18 CO 0.02 0.17 -0.01 0.61 -1.01 0.00 0.00 177.57 177.35 1nkl n GLY 19 N -1.20 -2.09 0.03 3.17 0.00 -0.53 -4.36 105.19 100.21 1nkl n GLY 19 Ca 0.02 -1.43 0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.53 1.04 -3.18 1.61 -0.04 -1.26 -4.18 135.00 128.46 1nkl n PRO 20 Ca 0.00 -0.06 -0.22 0.00 -0.04 0.00 0.00 63.50 63.18 1nkl n PRO 20 Cb 0.02 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.07 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 -0.79 1.27 -2.46 0.54 1.13 -1.26 -5.12 117.38 110.69 1nkl n GLN 21 Ca 0.17 -3.60 -0.25 0.00 -1.94 0.00 0.00 57.00 51.38 1nkl n GLN 21 Cb 0.09 -1.64 0.14 0.00 0.11 0.00 0.00 30.24 28.94 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 -2.12 1.32 0.14 -1.09 0.04 -1.26 -5.10 135.00 126.93 1nkl s PRO 22 Ca 0.39 -1.04 -0.16 0.00 0.04 0.00 0.00 61.00 60.24 1nkl s PRO 22 Cb 0.26 -2.21 0.03 0.00 0.04 0.00 0.00 34.50 32.62 1nkl s PRO 22 CO -0.09 -1.76 0.42 0.54 0.04 0.00 0.00 177.00 176.15 1nkl s ASN 23 N -4.82 -0.21 0.34 6.66 2.20 -1.26 -5.01 114.94 112.85 1nkl s ASN 23 Ca 0.69 -0.40 0.14 0.00 -0.94 0.00 0.00 52.86 52.35 1nkl s ASN 23 Cb -0.04 0.49 1.12 0.00 -2.00 0.00 0.00 41.25 40.82 1nkl s ASN 23 CO 0.47 -0.90 1.60 -0.08 -2.94 0.00 0.00 177.10 175.25 1nkl h GLU 24 N 2.35 0.09 0.33 3.55 4.57 -2.00 0.08 114.58 123.55 1nkl h GLU 24 Ca -0.33 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.83 1nkl h GLU 24 Cb 1.25 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1nkl h GLU 24 CO 0.45 0.06 -0.16 0.22 -1.18 0.00 0.00 179.01 178.40 1nkl h ASP 25 N 0.09 -0.37 -0.87 1.04 3.58 -1.99 -2.77 116.42 115.13 1nkl h ASP 25 Ca 0.75 -0.17 0.12 0.00 0.42 0.00 0.00 57.03 58.15 1nkl h ASP 25 Cb 1.82 0.10 -0.07 0.00 1.72 0.00 0.00 39.33 42.91 1nkl h ASP 25 CO -0.75 0.06 0.56 0.74 -2.88 0.00 0.00 179.24 176.97 1nkl h THR 26 N -0.92 0.89 -0.13 2.25 2.02 -1.46 0.25 112.91 115.82 1nkl h THR 26 Ca -0.05 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 1nkl h THR 26 Cb 0.52 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1nkl h THR 26 CO 0.07 0.14 -0.11 0.58 0.37 0.00 0.00 175.52 176.57 1nkl h VAL 27 N 0.75 1.34 -0.14 3.16 2.07 -1.18 -0.33 116.25 121.93 1nkl h VAL 27 Ca 0.42 -1.22 0.04 0.00 0.82 0.00 0.00 66.70 66.75 1nkl h VAL 27 Cb 0.58 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 1nkl h VAL 27 CO -0.18 0.36 -0.11 0.74 0.02 0.00 0.00 177.57 178.39 1nkl h THR 28 N -0.06 0.68 -0.12 2.57 2.02 -0.53 0.38 112.91 117.84 1nkl h THR 28 Ca 0.02 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 1nkl h THR 28 Cb 0.61 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1nkl h THR 28 CO 0.03 0.00 -0.07 0.06 0.37 0.00 0.00 175.52 175.90 1nkl h GLN 29 N -0.12 0.26 -0.54 6.66 3.07 -0.69 -0.94 115.11 122.81 1nkl h GLN 29 Ca 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 1nkl h GLN 29 Cb 0.25 -0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.78 1nkl h GLN 29 CO -0.21 0.62 0.29 0.00 0.09 0.00 0.00 178.83 179.62 1nkl h ALA 30 N 0.63 1.50 0.05 0.06 0.00 -0.85 -1.16 119.26 119.49 1nkl h ALA 30 Ca 0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1nkl h ALA 30 Cb 0.55 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1nkl h ALA 30 CO 0.02 0.42 -0.31 0.00 0.00 0.00 0.00 179.25 179.38 1nkl h ALA 31 N 1.57 -0.02 -0.32 0.00 0.00 -0.93 0.46 119.26 120.03 1nkl h ALA 31 Ca 0.19 -0.59 0.09 0.00 0.00 0.00 0.00 54.91 54.61 1nkl h ALA 31 Cb 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1nkl h ALA 31 CO -0.03 0.15 0.35 0.66 0.00 0.00 0.00 179.25 180.38 1nkl h SER 32 N -0.79 0.00 0.34 0.00 4.64 -1.01 -0.24 113.55 116.49 1nkl h SER 32 Ca -0.06 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.94 1nkl h SER 32 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1nkl h SER 32 CO 0.04 0.00 -1.74 1.56 -0.87 0.00 0.00 176.83 175.82 1nkl h GLN 33 N 0.00 0.20 -0.95 4.77 1.08 -1.19 -3.24 115.11 115.77 1nkl h GLN 33 Ca 0.15 -0.34 0.04 0.00 -1.45 0.00 0.00 58.65 57.06 1nkl h GLN 33 Cb 0.86 0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 28.36 1nkl h GLN 33 CO -0.00 1.00 0.62 -0.24 -0.95 0.00 0.00 178.83 179.26 1nkl h VAL 34 N 0.05 1.15 0.29 -0.54 3.04 0.17 0.75 116.25 121.16 1nkl h VAL 34 Ca -0.32 -0.41 -0.01 0.00 -1.01 0.00 0.00 66.70 64.95 1nkl h VAL 34 Cb 2.02 -0.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 1nkl h VAL 34 CO 0.12 0.22 -0.14 0.00 -1.01 0.00 0.00 177.57 176.75 1nkl h ASP 36 N -0.83 0.45 -0.04 0.00 3.58 -1.41 -3.03 116.42 115.14 1nkl h ASP 36 Ca -0.04 0.09 -0.22 0.00 0.42 0.00 0.00 57.03 57.29 1nkl h ASP 36 Cb 0.52 0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.60 1nkl h ASP 36 CO 0.07 0.19 -0.78 0.50 -2.88 0.00 0.00 179.24 176.34 1nkl h LYS 37 N 0.57 0.69 -6.02 0.28 3.64 -0.84 -3.38 116.57 111.50 1nkl h LYS 37 Ca 0.44 -0.57 -0.47 0.00 -1.27 0.00 0.00 60.65 58.77 1nkl h LYS 37 Cb 0.62 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.51 1nkl h LYS 37 CO -0.37 1.19 1.16 -0.51 -2.27 0.00 0.00 179.45 178.65 1nkl s LEU 38 N -8.29 3.26 0.63 5.20 1.43 0.14 -4.97 118.68 116.08 1nkl s LEU 38 Ca -0.09 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1nkl s LEU 38 Cb 0.09 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 1nkl s LEU 38 CO 0.89 -2.22 1.04 -1.59 0.23 0.00 0.00 176.35 174.69 1nkl s LYS 39 N 6.46 3.39 0.00 1.70 -2.85 -1.26 -1.50 119.74 125.68 1nkl s LYS 39 Ca 0.58 0.88 0.00 0.00 -1.00 0.00 0.00 55.97 56.42 1nkl s LYS 39 Cb -0.09 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.63 1nkl s LYS 39 CO 0.10 -0.74 0.00 -0.89 0.10 0.00 0.00 175.35 173.93 1nkl n ILE 40 N -2.70 0.00 1.64 3.79 2.08 -1.26 -4.38 119.36 118.52 1nkl n ILE 40 Ca 0.07 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.41 1nkl n ILE 40 Cb 0.54 0.00 0.15 0.00 -0.75 0.00 0.00 39.64 39.58 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 0.64 -0.25 1.39 -0.00 -1.23 -3.83 117.00 113.72 1nkl n LEU 41 Ca 0.00 -0.31 -0.03 0.00 -0.00 0.00 0.00 56.01 55.67 1nkl n LEU 41 Cb 0.00 -0.07 0.08 0.00 -0.00 0.00 0.00 43.42 43.43 1nkl n LEU 41 CO 0.00 0.15 1.14 -0.09 -0.00 0.00 0.00 177.39 178.59 1nkl h ARG 42 N 0.73 0.81 -0.29 1.96 2.43 -1.42 -2.58 114.38 116.02 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 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1nkl h ARG 42 CO 0.00 0.54 0.17 0.78 -1.51 0.00 0.00 179.97 179.95 1nkl h GLY 43 N 0.83 0.41 0.83 2.80 0.00 -1.87 0.06 103.07 106.14 1nkl h GLY 43 Ca 0.29 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 1nkl h GLY 43 CO -0.12 0.17 -0.01 -2.00 0.00 0.00 0.00 176.54 174.58 1nkl h LEU 44 N 0.36 -0.01 0.46 3.11 7.12 -1.76 -0.70 115.31 123.90 1nkl h LEU 44 Ca 0.10 -0.17 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 1nkl h LEU 44 Cb 0.01 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.12 1nkl h LEU 44 CO -0.02 0.16 -0.43 0.00 -0.13 0.00 0.00 178.44 178.02 1nkl h LYS 46 N -0.90 0.88 -0.98 0.00 1.57 -0.87 0.61 116.57 116.88 1nkl h LYS 46 Ca -0.05 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1nkl h LYS 46 Cb 0.79 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 1nkl h LYS 46 CO -0.05 0.58 0.65 -0.22 -0.57 0.00 0.00 179.45 179.85 1nkl h LYS 47 N 0.91 1.29 0.66 3.15 3.11 -0.91 0.57 116.57 125.34 1nkl h LYS 47 Ca 0.46 -0.08 -0.03 0.00 -2.81 0.00 0.00 60.65 58.19 1nkl h LYS 47 Cb 0.50 -0.29 0.01 0.00 -1.00 0.00 0.00 32.23 31.45 1nkl h LYS 47 CO -0.22 0.85 -0.32 0.82 -2.81 0.00 0.00 179.45 177.77 1nkl h ILE 48 N 1.33 0.35 -0.86 2.00 2.04 -0.21 -3.23 117.51 118.93 1nkl h ILE 48 Ca 0.36 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 66.22 1nkl h ILE 48 Cb -0.15 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.23 1nkl h ILE 48 CO -0.08 0.00 0.56 0.24 0.00 0.00 0.00 178.15 178.88 1nkl h MET 49 N -0.91 1.04 -0.77 2.37 2.86 -0.78 0.13 114.93 118.88 1nkl h MET 49 Ca -0.09 -0.06 0.18 0.00 -2.06 0.00 0.00 59.70 57.67 1nkl h MET 49 Cb 0.69 -0.24 -0.12 0.00 0.06 0.00 0.00 31.60 31.99 1nkl h MET 49 CO 0.15 0.69 0.13 -0.09 1.06 0.00 0.00 176.91 178.85 1nkl h ARG 50 N 1.08 0.19 0.00 1.72 1.12 -0.91 -1.22 114.38 116.35 1nkl h ARG 50 Ca 0.34 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.20 1nkl h ARG 50 Cb 0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 29.93 1nkl h ARG 50 CO -0.10 0.12 -1.35 0.45 -3.11 0.00 0.00 179.97 175.99 1nkl n SER 51 N -5.24 0.85 -2.60 -3.80 2.88 -0.56 -4.71 113.62 100.44 1nkl n SER 51 Ca 0.15 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 1nkl n SER 51 Cb 0.51 1.43 0.05 0.00 -0.75 0.00 0.00 64.21 65.45 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 -1.78 0.86 0.44 0.66 3.72 0.34 -4.99 117.46 116.72 1nkl n PHE 52 Ca -0.00 -1.85 -0.17 0.00 -0.05 0.00 0.00 57.45 55.38 1nkl n PHE 52 Cb 0.38 -0.11 -0.08 0.00 -0.94 0.00 0.00 39.48 38.72 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 2.24 -0.96 -0.96 4.37 6.46 -1.42 -2.19 115.31 122.85 1nkl h LEU 53 Ca -0.18 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 1nkl h LEU 53 Cb 1.37 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 41.55 1nkl h LEU 53 CO 0.14 -0.65 0.00 -0.09 -0.62 0.00 0.00 178.44 177.22 1nkl h ARG 54 N -1.22 0.00 -0.07 1.25 1.12 -1.94 -0.98 114.38 112.54 1nkl h ARG 54 Ca -0.12 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.74 1nkl h ARG 54 Cb 0.87 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.83 1nkl h ARG 54 CO 0.19 0.00 0.00 0.00 -3.11 0.00 0.00 179.97 177.06 1nkl h ARG 55 N 0.00 0.12 -0.34 0.20 2.47 -1.83 -1.76 114.38 113.24 1nkl h ARG 55 Ca 0.00 -0.04 0.10 0.00 -1.26 0.00 0.00 59.98 58.78 1nkl h ARG 55 Cb 0.33 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 1nkl h ARG 55 CO 0.00 0.37 0.29 0.82 0.56 0.00 0.00 179.97 182.01 1nkl h ILE 56 N -0.15 0.61 0.56 2.04 5.03 -0.58 0.66 117.51 125.68 1nkl h ILE 56 Ca 0.02 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.73 1nkl h ILE 56 Cb 0.31 0.78 0.01 0.00 -3.03 0.00 0.00 36.82 34.89 1nkl h ILE 56 CO 0.00 0.00 -0.27 -1.28 -0.68 0.00 0.00 178.15 175.93 1nkl h SER 57 N 0.00 -0.63 -0.82 1.72 0.87 -1.23 -2.77 113.55 110.69 1nkl h SER 57 Ca 0.16 0.02 0.19 0.00 -1.23 0.00 0.00 61.79 60.93 1nkl h SER 57 Cb 0.74 0.16 -0.15 0.00 -0.44 0.00 0.00 62.40 62.71 1nkl h SER 57 CO -0.00 -0.25 -0.06 -0.25 -0.53 0.00 0.00 176.83 175.73 1nkl h TRP 58 N -1.15 -0.18 0.02 2.24 7.01 -0.52 0.51 115.95 123.88 1nkl h TRP 58 Ca -0.08 0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.00 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 0.01 -0.31 -0.48 -0.44 -2.79 0.00 0.00 178.44 174.43 1nkl h ASP 59 N 0.05 -1.47 -0.19 2.65 3.32 -0.88 0.67 116.42 120.57 1nkl h ASP 59 Ca 0.44 0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.65 1nkl h ASP 59 Cb 0.77 0.55 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 1nkl h ASP 59 CO -0.77 -0.47 0.11 0.40 -1.72 0.00 0.00 179.24 176.78 1nkl h ILE 60 N -0.62 1.10 -0.96 0.35 5.03 -1.13 -0.48 117.51 120.81 1nkl h ILE 60 Ca 0.01 -0.28 0.07 0.00 -0.12 0.00 0.00 64.86 64.53 1nkl h ILE 60 Cb 0.65 0.94 -0.06 0.00 -3.03 0.00 0.00 36.82 35.32 1nkl h ILE 60 CO -0.31 0.10 0.62 -0.07 -0.68 0.00 0.00 178.15 177.82 1nkl h LEU 61 N 0.21 0.98 -3.03 1.44 3.38 -0.66 0.83 115.31 118.47 1nkl h LEU 61 Ca 0.07 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.79 1nkl h LEU 61 Cb 0.07 -0.20 -0.15 0.00 0.09 0.00 0.00 40.66 40.46 1nkl h LEU 61 CO -0.01 0.62 0.32 0.35 0.09 0.00 0.00 178.44 179.82 1nkl n THR 62 N -4.50 2.14 -4.19 0.22 -2.24 0.20 -4.92 114.28 101.00 1nkl n THR 62 Ca 0.15 -1.02 -0.30 0.00 -2.27 0.00 0.00 64.05 60.61 1nkl n THR 62 Cb 0.20 -0.68 -0.09 0.00 -2.10 0.00 0.00 70.33 67.66 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 -0.33 -0.14 3.82 3.38 0.00 0.28 -4.90 105.19 107.30 1nkl n GLY 63 Ca 0.31 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 46.11 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 -7.00 4.16 0.69 1.61 2.47 -0.20 -5.02 119.74 116.45 1nkl s LYS 64 Ca 0.10 0.71 -0.12 0.00 -1.56 0.00 0.00 55.97 55.10 1nkl s LYS 64 Cb -0.06 -3.04 0.01 0.00 -1.46 0.00 0.00 37.83 33.28 1nkl s LYS 64 CO 0.92 0.52 1.08 0.15 0.16 0.00 0.00 175.35 178.18 1nkl s LYS 65 N -1.63 2.77 0.08 4.03 -0.14 -1.26 -4.73 119.74 118.86 1nkl s LYS 65 Ca 0.36 1.15 -0.22 0.00 -1.36 0.00 0.00 55.97 55.91 1nkl s LYS 65 Cb -0.17 -1.96 -0.12 0.00 -1.68 0.00 0.00 37.83 33.89 1nkl s LYS 65 CO 0.20 -1.24 1.64 -1.00 -0.76 0.00 0.00 175.35 174.18 1nkl h PRO 66 N -0.48 0.15 -0.36 -1.68 0.13 -1.95 -0.11 132.00 127.69 1nkl h PRO 66 Ca -0.45 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1nkl h PRO 66 Cb 1.23 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1nkl h PRO 66 CO 0.55 0.23 0.20 0.37 -0.23 0.00 0.00 178.00 179.12 1nkl h GLN 67 N 0.03 0.49 0.15 0.86 5.75 -1.93 -1.88 115.11 118.58 1nkl h GLN 67 Ca 0.03 -0.04 -0.30 0.00 -0.15 0.00 0.00 58.65 58.19 1nkl h GLN 67 Cb 0.13 -0.10 0.03 0.00 1.07 0.00 0.00 27.48 28.61 1nkl h GLN 67 CO -0.00 0.36 -1.29 0.00 -2.65 0.00 0.00 178.83 175.24 1nkl h ALA 68 N 1.73 -0.00 0.02 3.38 0.00 -1.81 -3.18 119.26 119.39 1nkl h ALA 68 Ca 0.13 -0.82 0.03 0.00 0.00 0.00 0.00 54.91 54.25 1nkl h ALA 68 Cb 0.01 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1nkl h ALA 68 CO -0.02 0.76 -0.25 0.82 0.00 0.00 0.00 179.25 180.56 1nkl h ILE 69 N 0.20 0.43 -0.91 0.00 2.04 -0.27 -0.40 117.51 118.60 1nkl h ILE 69 Ca -0.19 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.71 1nkl h ILE 69 Cb 1.98 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 1nkl h ILE 69 CO 0.24 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.99 1nkl h VAL 71 N 1.14 1.27 0.44 0.00 2.07 -1.41 -0.08 116.25 119.68 1nkl h VAL 71 Ca 0.37 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1nkl h VAL 71 Cb 0.03 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1nkl h VAL 71 CO -0.11 0.37 -0.21 -0.78 0.02 0.00 0.00 177.57 176.86 1nkl h ASP 72 N 0.58 -0.51 0.14 0.57 1.82 -0.53 -2.67 116.42 115.83 1nkl h ASP 72 Ca 0.11 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 1nkl h ASP 72 Cb 0.55 0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.69 1nkl h ASP 72 CO 0.03 -0.36 0.00 2.30 -1.61 0.00 0.00 179.24 179.60 1nkl n ILE 73 N -5.35 0.01 -2.72 2.25 -5.35 -0.70 -4.94 119.36 102.57 1nkl n ILE 73 Ca -0.11 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.31 1nkl n ILE 73 Cb 0.25 -0.53 0.01 0.00 -1.74 0.00 0.00 39.64 37.63 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 -1.07 -2.45 0.00 6.28 4.81 -0.63 -5.03 118.16 120.07 1nkl n LYS 74 Ca 0.20 2.15 0.00 0.00 -0.87 0.00 0.00 58.31 59.79 1nkl n LYS 74 Cb 0.14 -5.30 0.00 0.00 0.02 0.00 0.00 35.03 29.89 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 -0.09 0.00 -0.04 3.15 5.41 -0.14 -4.99 119.36 122.66 1nkl n ILE 75 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.83 1nkl n ILE 75 Cb 0.33 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.25 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 -3.73 0.00 0.00 0.00 0.00 -1.26 -4.08 118.16 109.08 1nkl n LYS 77 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 58.31 58.38 1nkl n LYS 77 Cb 0.05 0.00 0.48 0.00 0.00 0.00 0.00 35.03 35.56 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79