#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 -1.01 1.61 3.20 -1.93 -2.28 116.97 116.56 1nkl h TYR 2 Ca 0.00 0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.10 1nkl h TYR 2 Cb 0.00 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.16 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 0.91 0.82 -3.82 0.04 -1.95 -3.01 116.94 109.93 1nkl h PHE 3 Ca 0.07 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.83 1nkl h PHE 3 Cb 0.47 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1nkl h PHE 3 CO 0.00 0.13 -0.45 0.00 -0.60 0.00 0.00 178.31 177.39 1nkl h GLU 5 N -1.18 0.23 -0.33 0.00 4.22 -1.79 0.11 114.58 115.85 1nkl h GLU 5 Ca -0.11 -0.03 0.07 0.00 0.08 0.00 0.00 59.36 59.36 1nkl h GLU 5 Cb 0.92 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.05 1nkl h GLU 5 CO 0.14 0.26 -0.37 0.77 -2.18 0.00 0.00 179.01 177.64 1nkl h SER 6 N 0.14 -1.20 -0.08 1.04 0.02 -1.49 0.14 113.55 112.13 1nkl h SER 6 Ca 0.06 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1nkl h SER 6 Cb 0.10 0.53 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 1nkl h SER 6 CO -0.01 -0.35 0.05 0.00 -1.14 0.00 0.00 176.83 175.38 1nkl h ARG 8 N 0.09 -0.19 -0.75 0.00 2.43 -0.38 0.14 114.38 115.71 1nkl h ARG 8 Ca 0.03 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1nkl h ARG 8 Cb 0.01 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1nkl h ARG 8 CO -0.01 -0.13 0.23 -0.22 -1.51 0.00 0.00 179.97 178.34 1nkl h LYS 9 N -0.20 1.17 -0.06 0.20 3.64 -0.76 0.05 116.57 120.62 1nkl h LYS 9 Ca 0.17 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1nkl h LYS 9 Cb 0.47 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1nkl h LYS 9 CO -0.47 0.99 0.03 0.82 -2.27 0.00 0.00 179.45 178.55 1nkl h ILE 10 N 1.12 1.12 -0.02 2.00 2.04 -0.09 -0.98 117.51 122.70 1nkl h ILE 10 Ca 0.24 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1nkl h ILE 10 Cb 0.31 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1nkl h ILE 10 CO -0.01 0.10 0.01 0.40 0.00 0.00 0.00 178.15 178.65 1nkl h ILE 11 N -0.04 1.06 -0.46 -0.67 1.08 -0.67 -2.85 117.51 114.97 1nkl h ILE 11 Ca 0.02 -0.19 0.08 0.00 -0.39 0.00 0.00 64.86 64.38 1nkl h ILE 11 Cb 0.14 1.15 -0.07 0.00 -3.07 0.00 0.00 36.82 34.97 1nkl h ILE 11 CO -0.00 0.05 0.07 1.56 -0.69 0.00 0.00 178.15 179.14 1nkl h GLN 12 N -0.05 0.19 0.00 2.37 1.08 -0.79 0.64 115.11 118.56 1nkl h GLN 12 Ca 0.01 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.14 1nkl h GLN 12 Cb 0.07 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1nkl h GLN 12 CO -0.00 0.13 -0.24 -0.22 -0.95 0.00 0.00 178.83 177.55 1nkl h LYS 13 N 0.20 0.00 0.69 1.46 1.63 -1.18 0.09 116.57 119.46 1nkl h LYS 13 Ca 0.23 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.99 1nkl h LYS 13 Cb 0.31 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.94 1nkl h LYS 13 CO -0.32 0.24 -0.33 1.25 -3.45 0.00 0.00 179.45 176.84 1nkl h LEU 14 N 0.00 -0.79 -0.45 5.20 7.12 -0.78 -3.14 115.31 122.47 1nkl h LEU 14 Ca -0.00 0.03 0.09 0.00 0.13 0.00 0.00 57.88 58.12 1nkl h LEU 14 Cb 0.47 0.20 -0.07 0.00 -0.53 0.00 0.00 40.66 40.73 1nkl h LEU 14 CO 0.03 -0.44 -0.01 -0.08 -0.13 0.00 0.00 178.44 177.82 1nkl h GLU 15 N -1.18 0.10 -0.47 1.25 4.81 -0.71 0.11 114.58 118.49 1nkl h GLU 15 Ca -0.10 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1nkl h GLU 15 Cb 0.71 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 1nkl h GLU 15 CO 0.16 0.07 0.15 0.22 -0.73 0.00 0.00 179.01 178.88 1nkl h ASP 16 N 0.10 0.14 0.02 1.04 1.82 -1.13 -0.87 116.42 117.55 1nkl h ASP 16 Ca 0.23 0.06 -0.05 0.00 -0.39 0.00 0.00 57.03 56.87 1nkl h ASP 16 Cb 0.33 0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.39 1nkl h ASP 16 CO -0.38 0.11 -0.25 0.24 -1.61 0.00 0.00 179.24 177.35 1nkl h MET 17 N 0.32 0.04 -0.14 0.28 2.86 -1.22 -3.28 114.93 113.79 1nkl h MET 17 Ca 0.22 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1nkl h MET 17 Cb 0.24 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1nkl h MET 17 CO -0.24 1.04 -0.02 -0.24 1.06 0.00 0.00 176.91 178.51 1nkl h VAL 18 N -0.90 1.11 -0.09 -2.22 3.04 -0.89 -3.49 116.25 112.81 1nkl h VAL 18 Ca -0.06 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1nkl h VAL 18 Cb 1.13 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1nkl h VAL 18 CO 0.00 0.14 0.00 0.61 -1.01 0.00 0.00 177.57 177.31 1nkl n GLY 19 N -1.20 -2.02 3.76 3.17 0.00 -0.33 -4.71 105.19 103.85 1nkl n GLY 19 Ca -0.01 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 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 1.74 -0.83 1.61 0.04 -1.26 -4.30 135.00 132.00 1nkl s PRO 20 Ca 0.00 0.81 -0.22 0.00 0.04 0.00 0.00 61.00 61.63 1nkl s PRO 20 Cb 0.00 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.71 1nkl s PRO 20 CO 0.00 -1.90 0.42 1.04 0.04 0.00 0.00 177.00 176.60 1nkl n GLN 21 N -3.65 -0.51 0.00 4.56 6.02 -1.26 -4.97 117.38 117.56 1nkl n GLN 21 Ca 0.07 -0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1nkl n GLN 21 Cb 0.55 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.42 1nkl n GLN 21 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1nkl n PRO 22 N -3.70 0.16 -4.08 -1.09 -0.04 -1.26 -5.11 135.00 119.87 1nkl n PRO 22 Ca -0.08 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.28 1nkl n PRO 22 Cb 0.38 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.74 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 -1.05 0.65 0.35 3.54 2.20 -1.26 -5.00 114.94 114.37 1nkl s ASN 23 Ca 0.00 -0.83 0.15 0.00 -0.94 0.00 0.00 52.86 51.24 1nkl s ASN 23 Cb 0.00 0.13 1.13 0.00 -2.00 0.00 0.00 41.25 40.51 1nkl s ASN 23 CO 0.00 -0.44 1.61 -0.08 -2.94 0.00 0.00 177.10 175.24 1nkl h GLU 24 N 3.63 0.10 0.31 3.55 4.57 -1.99 -0.37 114.58 124.39 1nkl h GLU 24 Ca -0.34 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 1nkl h GLU 24 Cb 1.17 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1nkl h GLU 24 CO 0.56 0.07 -0.15 0.22 -1.18 0.00 0.00 179.01 178.53 1nkl h ASP 25 N 0.11 -0.36 -0.81 1.04 3.58 -1.99 -2.84 116.42 115.16 1nkl h ASP 25 Ca 0.76 -0.12 0.08 0.00 0.42 0.00 0.00 57.03 58.16 1nkl h ASP 25 Cb 1.84 0.09 -0.05 0.00 1.72 0.00 0.00 39.33 42.93 1nkl h ASP 25 CO -0.74 0.11 0.53 0.74 -2.88 0.00 0.00 179.24 177.00 1nkl h THR 26 N -1.02 1.01 -0.35 2.25 2.02 -1.73 0.16 112.91 115.25 1nkl h THR 26 Ca -0.04 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 1nkl h THR 26 Cb 0.46 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1nkl h THR 26 CO 0.07 0.15 0.06 0.58 0.37 0.00 0.00 175.52 176.75 1nkl h VAL 27 N 0.84 1.24 0.37 3.16 2.07 -1.22 0.67 116.25 123.37 1nkl h VAL 27 Ca 0.36 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1nkl h VAL 27 Cb 0.31 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1nkl h VAL 27 CO -0.13 0.28 -0.23 0.74 0.02 0.00 0.00 177.57 178.24 1nkl h THR 28 N 0.41 0.51 -0.30 2.57 2.02 -0.53 -1.80 112.91 115.79 1nkl h THR 28 Ca 0.11 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.16 1nkl h THR 28 Cb 0.36 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1nkl h THR 28 CO 0.01 0.00 -0.34 0.06 0.37 0.00 0.00 175.52 175.62 1nkl h GLN 29 N -0.58 0.67 -0.85 6.66 3.07 -0.89 -2.30 115.11 120.88 1nkl h GLN 29 Ca -0.04 -0.31 0.11 0.00 0.09 0.00 0.00 58.65 58.49 1nkl h GLN 29 Cb 0.48 -0.01 -0.08 0.00 0.08 0.00 0.00 27.48 27.96 1nkl h GLN 29 CO 0.04 0.91 0.48 0.00 0.09 0.00 0.00 178.83 180.35 1nkl h ALA 30 N 1.06 1.22 -0.09 0.06 0.00 -0.80 -2.84 119.26 117.87 1nkl h ALA 30 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1nkl h ALA 30 Cb 0.85 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1nkl h ALA 30 CO 0.07 0.08 -0.02 0.00 0.00 0.00 0.00 179.25 179.39 1nkl h ALA 31 N 1.48 0.12 -0.39 0.00 0.00 -0.76 0.62 119.26 120.33 1nkl h ALA 31 Ca 0.42 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1nkl h ALA 31 Cb 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1nkl h ALA 31 CO -0.27 -0.16 0.27 0.66 0.00 0.00 0.00 179.25 179.76 1nkl h SER 32 N -0.15 0.11 0.89 0.00 4.64 -1.33 -1.65 113.55 116.05 1nkl h SER 32 Ca 0.02 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 1nkl h SER 32 Cb 0.41 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1nkl h SER 32 CO 0.01 0.07 -1.18 1.56 -0.87 0.00 0.00 176.83 176.42 1nkl h GLN 33 N 0.12 0.00 -0.81 4.77 1.08 -1.27 -3.16 115.11 115.85 1nkl h GLN 33 Ca 0.18 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 1nkl h GLN 33 Cb 0.57 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.96 1nkl h GLN 33 CO -0.02 0.20 0.45 -0.24 -0.95 0.00 0.00 178.83 178.26 1nkl h VAL 34 N 0.00 1.24 0.10 -0.54 3.04 0.12 0.14 116.25 120.35 1nkl h VAL 34 Ca -0.09 -0.58 -0.00 0.00 -1.01 0.00 0.00 66.70 65.01 1nkl h VAL 34 Cb 1.36 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1nkl h VAL 34 CO 0.03 0.26 -0.05 0.00 -1.01 0.00 0.00 177.57 176.81 1nkl h ASP 36 N -0.57 0.48 -0.15 0.00 3.58 -1.38 -3.15 116.42 115.23 1nkl h ASP 36 Ca -0.01 0.09 -0.17 0.00 0.42 0.00 0.00 57.03 57.36 1nkl h ASP 36 Cb 0.47 0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.55 1nkl h ASP 36 CO 0.02 0.20 -0.59 0.50 -2.88 0.00 0.00 179.24 176.49 1nkl h LYS 37 N 0.59 0.67 -5.55 0.28 3.64 -0.60 -3.21 116.57 112.38 1nkl h LYS 37 Ca 0.45 -0.51 -0.64 0.00 -1.27 0.00 0.00 60.65 58.67 1nkl h LYS 37 Cb 0.64 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.49 1nkl h LYS 37 CO -0.37 1.13 2.19 1.28 -2.27 0.00 0.00 179.45 181.42 1nkl n LEU 38 N -4.11 4.94 -4.85 5.20 4.77 0.44 -4.96 117.00 118.43 1nkl n LEU 38 Ca -0.07 -3.84 -0.31 0.00 -0.03 0.00 0.00 56.01 51.76 1nkl n LEU 38 Cb 0.64 -1.72 0.03 0.00 -2.33 0.00 0.00 43.42 40.04 1nkl n LEU 38 CO 0.49 0.02 0.72 -1.59 -1.33 0.00 0.00 177.39 175.70 1nkl s LYS 39 N 4.39 3.27 0.00 3.23 -2.85 -1.22 -1.31 119.74 125.25 1nkl s LYS 39 Ca 0.55 0.81 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 0.07 -0.82 0.00 -0.89 0.10 0.00 0.00 175.35 173.81 1nkl n ILE 40 N -2.92 0.00 1.66 3.79 2.08 -1.26 -4.39 119.36 118.32 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 0.17 0.00 -0.75 0.00 0.00 39.64 39.60 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 0.60 -0.36 1.39 7.94 -1.18 -3.52 117.00 121.87 1nkl n LEU 41 Ca 0.00 -0.29 -0.00 0.00 -1.11 0.00 0.00 56.01 54.61 1nkl n LEU 41 Cb 0.00 -0.07 0.13 0.00 0.53 0.00 0.00 43.42 44.02 1nkl n LEU 41 CO 0.00 0.14 1.26 -0.09 -1.11 0.00 0.00 177.39 177.59 1nkl h ARG 42 N 0.69 1.17 0.39 1.96 2.43 -1.33 -0.10 114.38 119.59 1nkl h ARG 42 Ca 0.00 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1nkl h ARG 42 Cb 0.16 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1nkl h ARG 42 CO 0.00 0.77 -0.19 0.78 -1.51 0.00 0.00 179.97 179.82 1nkl h GLY 43 N 1.21 -0.55 0.87 2.80 0.00 -1.88 0.10 103.07 105.61 1nkl h GLY 43 Ca 0.38 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.90 1nkl h GLY 43 CO -0.13 -0.20 -0.18 -2.00 0.00 0.00 0.00 176.54 174.03 1nkl h LEU 44 N -0.55 -0.43 -0.42 3.11 7.12 -1.70 -1.16 115.31 121.28 1nkl h LEU 44 Ca -0.05 -0.06 0.07 0.00 0.13 0.00 0.00 57.88 57.96 1nkl h LEU 44 Cb 0.42 0.11 -0.06 0.00 -0.53 0.00 0.00 40.66 40.59 1nkl h LEU 44 CO 0.09 -0.20 0.03 0.00 -0.13 0.00 0.00 178.44 178.23 1nkl h LYS 46 N 0.14 1.15 -0.20 0.00 1.79 -0.59 -0.07 116.57 118.80 1nkl h LYS 46 Ca 0.21 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1nkl h LYS 46 Cb 0.28 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1nkl h LYS 46 CO -0.32 0.76 0.11 -0.22 -1.08 0.00 0.00 179.45 178.70 1nkl h LYS 47 N 1.18 0.27 -0.64 3.15 3.64 -0.15 -0.03 116.57 124.00 1nkl h LYS 47 Ca 0.35 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.79 1nkl h LYS 47 Cb -0.06 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.63 1nkl h LYS 47 CO -0.09 0.26 0.26 0.82 -2.27 0.00 0.00 179.45 178.43 1nkl h ILE 48 N 0.21 0.79 -0.05 2.00 1.08 0.14 0.74 117.51 122.42 1nkl h ILE 48 Ca 0.07 -0.16 -0.09 0.00 -0.39 0.00 0.00 64.86 64.29 1nkl h ILE 48 Cb 0.07 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.11 1nkl h ILE 48 CO -0.01 0.08 -0.33 0.24 -0.69 0.00 0.00 178.15 177.44 1nkl h MET 49 N 0.46 0.32 -0.97 2.37 2.86 -0.89 0.29 114.93 119.36 1nkl h MET 49 Ca 0.32 -0.27 0.16 0.00 -2.06 0.00 0.00 59.70 57.85 1nkl h MET 49 Cb 0.38 0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.01 1nkl h MET 49 CO -0.30 0.93 0.61 -0.09 1.06 0.00 0.00 176.91 179.12 1nkl h ARG 50 N -0.21 0.77 0.22 1.72 9.65 -0.66 0.13 114.38 126.01 1nkl h ARG 50 Ca -0.03 -0.05 -0.33 0.00 -1.10 0.00 0.00 59.98 58.48 1nkl h ARG 50 Cb 1.00 -0.17 0.03 0.00 -1.39 0.00 0.00 29.97 29.43 1nkl h ARG 50 CO 0.07 0.51 -1.46 1.03 2.80 0.00 0.00 179.97 182.92 1nkl h SER 51 N 0.79 0.73 -0.16 -3.80 0.87 -0.78 -3.44 113.55 107.77 1nkl h SER 51 Ca 0.51 -0.81 -0.19 0.00 -1.23 0.00 0.00 61.79 60.07 1nkl h SER 51 Cb 0.75 -0.24 -0.26 0.00 -0.44 0.00 0.00 62.40 62.21 1nkl h SER 51 CO -0.29 1.64 -0.65 0.49 -0.53 0.00 0.00 176.83 177.49 1nkl n PHE 52 N -3.66 -0.46 0.38 2.24 3.72 0.10 -5.01 117.46 114.77 1nkl n PHE 52 Ca -0.16 -1.63 -0.18 0.00 -0.05 0.00 0.00 57.45 55.43 1nkl n PHE 52 Cb 1.09 0.65 -0.09 0.00 -0.94 0.00 0.00 39.48 40.18 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 1.47 -1.03 -1.22 4.37 6.46 -0.87 -0.79 115.31 123.71 1nkl h LEU 53 Ca -0.33 0.06 0.25 0.00 -0.12 0.00 0.00 57.88 57.74 1nkl h LEU 53 Cb 1.35 0.30 -0.11 0.00 -0.73 0.00 0.00 40.66 41.48 1nkl h LEU 53 CO -0.04 -0.65 0.64 -0.09 -0.62 0.00 0.00 178.44 177.68 1nkl h ARG 54 N -1.03 0.47 -0.21 1.25 9.65 -1.95 -0.04 114.38 122.51 1nkl h ARG 54 Ca -0.09 -0.03 -0.12 0.00 -1.10 0.00 0.00 59.98 58.64 1nkl h ARG 54 Cb 0.83 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.30 1nkl h ARG 54 CO 0.10 0.31 -0.34 0.00 2.80 0.00 0.00 179.97 182.84 1nkl h ARG 55 N 0.48 0.60 -0.54 0.20 3.08 -1.69 -2.93 114.38 113.58 1nkl h ARG 55 Ca 0.61 -0.36 0.13 0.00 0.07 0.00 0.00 59.98 60.43 1nkl h ARG 55 Cb 1.37 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.43 1nkl h ARG 55 CO -0.37 0.97 0.38 0.82 -1.07 0.00 0.00 179.97 180.70 1nkl h ILE 56 N 0.28 0.80 0.14 2.04 5.03 0.34 -0.60 117.51 125.53 1nkl h ILE 56 Ca 0.02 -0.05 -0.01 0.00 -0.12 0.00 0.00 64.86 64.70 1nkl h ILE 56 Cb 0.93 0.63 0.00 0.00 -3.03 0.00 0.00 36.82 35.35 1nkl h ILE 56 CO 0.08 0.03 -0.07 -1.28 -0.68 0.00 0.00 178.15 176.23 1nkl h SER 57 N 0.15 -0.16 -0.56 1.72 0.87 -1.17 -1.54 113.55 112.87 1nkl h SER 57 Ca 0.26 -0.33 0.11 0.00 -1.23 0.00 0.00 61.79 60.60 1nkl h SER 57 Cb 0.81 0.04 -0.10 0.00 -0.44 0.00 0.00 62.40 62.71 1nkl h SER 57 CO -0.04 0.27 -0.11 -0.25 -0.53 0.00 0.00 176.83 176.17 1nkl h TRP 58 N -0.62 -0.24 -0.26 2.24 7.01 -1.25 0.11 115.95 122.93 1nkl h TRP 58 Ca -0.02 0.05 0.06 0.00 2.11 0.00 0.00 58.89 61.09 1nkl h TRP 58 Cb 0.47 0.19 -0.07 0.00 -2.10 0.00 0.00 29.16 27.66 1nkl h TRP 58 CO 0.06 -0.22 -0.23 -0.44 -2.79 0.00 0.00 178.44 174.81 1nkl h ASP 59 N 0.02 -0.76 0.14 2.65 3.32 -0.94 0.27 116.42 121.13 1nkl h ASP 59 Ca 0.27 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.45 1nkl h ASP 59 Cb 0.42 0.36 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1nkl h ASP 59 CO -0.55 -0.27 -0.07 0.40 -1.72 0.00 0.00 179.24 177.03 1nkl h ILE 60 N -0.23 0.90 -0.77 0.35 5.03 -0.64 -2.47 117.51 119.67 1nkl h ILE 60 Ca 0.14 -0.15 0.07 0.00 -0.12 0.00 0.00 64.86 64.81 1nkl h ILE 60 Cb 0.45 0.99 -0.05 0.00 -3.03 0.00 0.00 36.82 35.18 1nkl h ILE 60 CO -0.39 0.04 0.51 -0.07 -0.68 0.00 0.00 178.15 177.55 1nkl h LEU 61 N -0.26 0.70 -0.39 1.44 3.38 -0.71 0.12 115.31 119.59 1nkl h LEU 61 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nkl h LEU 61 Cb 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1nkl h LEU 61 CO 0.03 0.44 0.00 0.35 0.09 0.00 0.00 178.44 179.35 1nkl n THR 62 N -4.49 0.00 -4.34 0.22 -2.24 0.06 -4.88 114.28 98.62 1nkl n THR 62 Ca 0.12 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.57 1nkl n THR 62 Cb 0.25 -0.20 -0.09 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.29 -0.18 3.83 3.38 0.00 0.41 -4.93 105.19 107.99 1nkl n GLY 63 Ca 0.00 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -7.31 4.14 0.70 1.61 2.20 -0.93 -5.02 119.74 115.13 1nkl s LYS 64 Ca 0.16 0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 56.34 1nkl s LYS 64 Cb -0.09 -2.97 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1nkl s LYS 64 CO 1.00 0.48 1.08 0.15 -0.36 0.00 0.00 175.35 177.70 1nkl s LYS 65 N -1.80 2.72 0.04 4.03 -0.14 -1.26 -4.78 119.74 118.56 1nkl s LYS 65 Ca 0.38 1.17 -0.32 0.00 -1.36 0.00 0.00 55.97 55.84 1nkl s LYS 65 Cb -0.17 -1.95 -0.18 0.00 -1.68 0.00 0.00 37.83 33.85 1nkl s LYS 65 CO 0.20 -1.28 1.41 -1.00 -0.76 0.00 0.00 175.35 173.92 1nkl h PRO 66 N -0.52 -0.97 0.00 -1.68 0.13 -1.95 0.12 132.00 127.13 1nkl h PRO 66 Ca -0.45 0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1nkl h PRO 66 Cb 1.23 0.22 -0.00 0.00 0.13 0.00 0.00 31.00 32.58 1nkl h PRO 66 CO 0.54 -0.63 -0.06 0.37 -0.23 0.00 0.00 178.00 178.00 1nkl h GLN 67 N -1.14 0.00 0.15 0.86 4.15 -1.94 -1.30 115.11 115.90 1nkl h GLN 67 Ca -0.10 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.03 1nkl h GLN 67 Cb 0.79 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.51 1nkl h GLN 67 CO 0.17 0.06 -1.20 0.00 -1.93 0.00 0.00 178.83 175.92 1nkl h ALA 68 N 1.94 -0.06 -0.55 3.38 0.00 -1.91 -2.89 119.26 119.17 1nkl h ALA 68 Ca -0.00 -0.77 0.11 0.00 0.00 0.00 0.00 54.91 54.25 1nkl h ALA 68 Cb 0.10 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 1nkl h ALA 68 CO 0.01 0.62 -0.02 0.82 0.00 0.00 0.00 179.25 180.68 1nkl h ILE 69 N 0.12 0.54 -0.63 0.00 2.04 0.07 0.19 117.51 119.85 1nkl h ILE 69 Ca -0.19 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1nkl h ILE 69 Cb 1.91 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1nkl h ILE 69 CO 0.23 0.02 0.36 0.00 0.00 0.00 0.00 178.15 178.76 1nkl h VAL 71 N 0.86 1.33 -0.31 0.00 2.07 -1.01 0.50 116.25 119.69 1nkl h VAL 71 Ca 0.22 -1.74 0.07 0.00 0.82 0.00 0.00 66.70 66.07 1nkl h VAL 71 Cb 0.02 1.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 1nkl h VAL 71 CO -0.04 0.53 -0.37 -0.78 0.02 0.00 0.00 177.57 176.94 1nkl h ASP 72 N 0.35 -1.19 -0.09 0.57 3.58 -0.46 -0.87 116.42 118.31 1nkl h ASP 72 Ca 0.01 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1nkl h ASP 72 Cb 1.01 0.53 0.00 0.00 1.72 0.00 0.00 39.33 42.58 1nkl h ASP 72 CO 0.09 -0.36 0.00 2.30 -2.88 0.00 0.00 179.24 178.39 1nkl n ILE 73 N -5.42 0.10 -2.13 2.25 -5.35 -1.06 -4.99 119.36 102.76 1nkl n ILE 73 Ca -0.01 -0.33 -0.03 0.00 -0.27 0.00 0.00 62.75 62.11 1nkl n ILE 73 Cb 0.34 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 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 0.39 -1.04 0.00 6.28 4.81 -0.33 -5.02 118.16 123.26 1nkl n LYS 74 Ca 0.18 1.21 0.00 0.00 -0.87 0.00 0.00 58.31 58.83 1nkl n LYS 74 Cb 0.38 -3.43 0.00 0.00 0.02 0.00 0.00 35.03 32.00 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 -0.53 0.00 -3.96 3.15 5.41 0.16 -5.00 119.36 118.60 1nkl n ILE 75 Ca 0.05 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.55 1nkl n ILE 75 Cb 0.25 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.13 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 -1.45 -1.58 0.00 0.00 0.00 -1.26 -4.23 118.16 109.65 1nkl n LYS 77 Ca -0.01 0.73 0.14 0.00 0.00 0.00 0.00 58.31 59.17 1nkl n LYS 77 Cb 0.64 -5.09 0.49 0.00 0.00 0.00 0.00 35.03 31.07 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79