#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 0.36 -1.06 1.61 3.20 -1.92 -0.33 116.97 118.83 1nkl h TYR 2 Ca 0.00 0.01 0.31 0.00 3.14 0.00 0.00 58.73 62.19 1nkl h TYR 2 Cb 0.00 -0.10 -0.13 0.00 1.54 0.00 0.00 36.73 38.04 1nkl h TYR 2 CO 0.00 0.02 0.64 0.74 -1.64 0.00 0.00 178.16 177.93 1nkl h PHE 3 N 0.21 0.82 0.66 -3.82 0.04 -1.91 -2.07 116.94 110.88 1nkl h PHE 3 Ca 0.58 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 61.35 1nkl h PHE 3 Cb 1.84 -0.22 0.01 0.00 2.20 0.00 0.00 35.95 39.77 1nkl h PHE 3 CO -0.00 -0.08 -0.32 0.00 -0.60 0.00 0.00 178.31 177.31 1nkl h GLU 5 N -0.89 0.15 -0.32 0.00 4.22 -1.67 -0.03 114.58 116.04 1nkl h GLU 5 Ca -0.09 -0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.41 1nkl h GLU 5 Cb 0.68 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 1nkl h GLU 5 CO 0.15 0.16 -0.32 0.77 -2.18 0.00 0.00 179.01 177.59 1nkl h SER 6 N 0.10 -1.04 -0.25 1.04 0.02 -1.29 0.63 113.55 112.76 1nkl h SER 6 Ca 0.04 0.18 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1nkl h SER 6 Cb 0.05 0.48 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1nkl h SER 6 CO -0.01 -0.33 0.13 0.00 -1.14 0.00 0.00 176.83 175.49 1nkl h ARG 8 N 0.27 -0.18 -0.38 0.00 2.43 -0.05 0.31 114.38 116.78 1nkl h ARG 8 Ca 0.10 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1nkl h ARG 8 Cb 0.03 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1nkl h ARG 8 CO -0.07 -0.12 0.24 -0.22 -1.51 0.00 0.00 179.97 178.30 1nkl h LYS 9 N -0.18 0.50 0.19 0.20 3.64 -0.71 0.07 116.57 120.28 1nkl h LYS 9 Ca 0.07 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1nkl h LYS 9 Cb 0.28 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1nkl h LYS 9 CO -0.18 0.35 -0.13 0.82 -2.27 0.00 0.00 179.45 178.04 1nkl h ILE 10 N 0.51 0.73 -0.00 2.00 2.04 -0.41 -1.15 117.51 121.22 1nkl h ILE 10 Ca 0.14 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 1nkl h ILE 10 Cb -0.04 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1nkl h ILE 10 CO -0.03 0.00 0.00 0.40 0.00 0.00 0.00 178.15 178.52 1nkl h ILE 11 N -0.32 1.05 -0.35 -0.67 1.08 -0.90 -2.69 117.51 114.71 1nkl h ILE 11 Ca -0.02 -0.14 0.05 0.00 -0.39 0.00 0.00 64.86 64.37 1nkl h ILE 11 Cb 0.27 1.14 -0.05 0.00 -3.07 0.00 0.00 36.82 35.11 1nkl h ILE 11 CO 0.01 0.04 0.06 1.56 -0.69 0.00 0.00 178.15 179.12 1nkl h GLN 12 N -0.06 0.17 0.00 2.37 1.08 -0.71 0.76 115.11 118.72 1nkl h GLN 12 Ca 0.00 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.11 1nkl h GLN 12 Cb 0.06 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1nkl h GLN 12 CO -0.00 0.11 -0.37 -0.22 -0.95 0.00 0.00 178.83 177.40 1nkl h LYS 13 N 0.17 0.00 0.02 1.46 1.63 -1.24 -0.63 116.57 117.98 1nkl h LYS 13 Ca 0.17 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1nkl h LYS 13 Cb 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1nkl h LYS 13 CO -0.23 0.37 -0.01 1.25 -3.45 0.00 0.00 179.45 177.38 1nkl h LEU 14 N 0.00 -0.03 -0.06 5.20 6.46 -0.82 -1.16 115.31 124.90 1nkl h LEU 14 Ca -0.00 -0.34 0.03 0.00 -0.12 0.00 0.00 57.88 57.45 1nkl h LEU 14 Cb 0.73 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.63 1nkl h LEU 14 CO 0.05 0.33 -0.13 -0.08 -0.62 0.00 0.00 178.44 177.98 1nkl h GLU 15 N -0.38 -0.19 -0.34 1.25 4.81 -0.78 0.14 114.58 119.10 1nkl h GLU 15 Ca -0.00 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1nkl h GLU 15 Cb 0.36 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 1nkl h GLU 15 CO 0.01 -0.13 -0.03 0.22 -0.73 0.00 0.00 179.01 178.35 1nkl h ASP 16 N -0.20 -0.19 0.18 1.04 1.82 -1.16 -1.69 116.42 116.22 1nkl h ASP 16 Ca 0.07 0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 1nkl h ASP 16 Cb 0.29 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.46 1nkl h ASP 16 CO -0.18 -0.06 -0.09 0.24 -1.61 0.00 0.00 179.24 177.55 1nkl h MET 17 N 0.07 -0.24 -0.23 0.28 2.86 -0.61 -3.17 114.93 113.88 1nkl h MET 17 Ca 0.16 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1nkl h MET 17 Cb 0.23 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1nkl h MET 17 CO -0.30 0.17 0.04 -0.24 1.06 0.00 0.00 176.91 177.64 1nkl h VAL 18 N -0.77 1.12 -0.05 -2.22 3.04 -0.79 -3.49 116.25 113.09 1nkl h VAL 18 Ca -0.03 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1nkl h VAL 18 Cb 0.51 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1nkl h VAL 18 CO 0.04 0.16 0.00 0.61 -1.01 0.00 0.00 177.57 177.37 1nkl n GLY 19 N -1.19 -1.87 3.78 3.17 0.00 -0.64 -4.80 105.19 103.65 1nkl n GLY 19 Ca 0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 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 1.71 -0.57 1.61 0.04 -1.26 -4.39 135.00 132.14 1nkl s PRO 20 Ca 0.00 0.60 -0.16 0.00 0.04 0.00 0.00 61.00 61.49 1nkl s PRO 20 Cb 0.00 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.68 1nkl s PRO 20 CO 0.00 -1.87 0.30 1.04 0.04 0.00 0.00 177.00 176.51 1nkl n GLN 21 N -3.60 -0.67 -0.66 4.56 1.13 -1.26 -4.96 117.38 111.91 1nkl n GLN 21 Ca 0.07 -0.25 -0.12 0.00 -1.94 0.00 0.00 57.00 54.77 1nkl n GLN 21 Cb 0.57 -0.66 0.08 0.00 0.11 0.00 0.00 30.24 30.34 1nkl n GLN 21 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1nkl n PRO 22 N -2.85 -0.81 -4.06 -1.09 -0.04 -1.26 -5.11 135.00 119.77 1nkl n PRO 22 Ca -0.06 -0.77 -0.10 0.00 -0.04 0.00 0.00 63.50 62.53 1nkl n PRO 22 Cb 0.26 -0.56 -0.11 0.00 -0.04 0.00 0.00 33.50 33.06 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 -2.84 0.62 0.35 3.54 4.22 -1.26 -4.94 114.94 114.62 1nkl s ASN 23 Ca 0.29 -0.74 0.16 0.00 -2.14 0.00 0.00 52.86 50.42 1nkl s ASN 23 Cb -0.01 0.11 1.18 0.00 1.28 0.00 0.00 41.25 43.81 1nkl s ASN 23 CO 0.21 -0.39 1.59 -0.08 -2.04 0.00 0.00 177.10 176.38 1nkl h GLU 24 N 3.88 0.03 0.21 3.55 4.57 -1.99 -0.50 114.58 124.34 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 1.18 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1nkl h GLU 24 CO 0.52 0.02 -0.10 0.22 -1.18 0.00 0.00 179.01 178.49 1nkl h ASP 25 N 0.03 -0.24 -0.92 1.04 3.58 -1.99 -2.50 116.42 115.42 1nkl h ASP 25 Ca 0.78 -0.26 0.11 0.00 0.42 0.00 0.00 57.03 58.07 1nkl h ASP 25 Cb 1.94 0.06 -0.07 0.00 1.72 0.00 0.00 39.33 42.98 1nkl h ASP 25 CO -0.79 0.28 0.59 0.74 -2.88 0.00 0.00 179.24 177.18 1nkl h THR 26 N -0.92 0.94 -0.05 2.25 2.02 -1.64 0.21 112.91 115.72 1nkl h THR 26 Ca -0.03 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1nkl h THR 26 Cb 0.49 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1nkl h THR 26 CO 0.05 0.16 0.02 0.58 0.37 0.00 0.00 175.52 176.70 1nkl h VAL 27 N 0.89 1.12 -0.21 3.16 2.07 -1.22 0.11 116.25 122.17 1nkl h VAL 27 Ca 0.44 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1nkl h VAL 27 Cb 0.46 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1nkl h VAL 27 CO -0.20 0.10 0.07 0.74 0.02 0.00 0.00 177.57 178.31 1nkl h THR 28 N -0.07 0.95 -0.18 2.57 2.02 -0.23 0.83 112.91 118.81 1nkl h THR 28 Ca 0.02 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 1nkl h THR 28 Cb 0.15 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1nkl h THR 28 CO -0.00 0.03 -0.13 0.06 0.37 0.00 0.00 175.52 175.85 1nkl h GLN 29 N 0.18 0.41 -0.12 6.66 3.07 -0.89 -0.64 115.11 123.78 1nkl h GLN 29 Ca 0.09 -0.19 -0.00 0.00 0.09 0.00 0.00 58.65 58.63 1nkl h GLN 29 Cb 0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.61 1nkl h GLN 29 CO -0.09 0.74 0.06 0.00 0.09 0.00 0.00 178.83 179.62 1nkl h ALA 30 N 0.66 1.88 0.03 0.06 0.00 -0.62 -1.15 119.26 120.12 1nkl h ALA 30 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1nkl h ALA 30 Cb 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1nkl h ALA 30 CO 0.03 0.10 -0.24 0.00 0.00 0.00 0.00 179.25 179.15 1nkl h ALA 31 N 1.90 -0.00 -0.42 0.00 0.00 -0.75 0.48 119.26 120.46 1nkl h ALA 31 Ca 0.04 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.48 1nkl h ALA 31 Cb 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1nkl h ALA 31 CO -0.01 0.12 0.30 0.66 0.00 0.00 0.00 179.25 180.32 1nkl h SER 32 N -0.87 0.09 0.72 0.00 4.64 -0.85 -0.01 113.55 117.27 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 1.15 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1nkl h SER 32 CO 0.02 0.05 -1.09 0.00 -0.87 0.00 0.00 176.83 174.95 1nkl n GLN 33 N -4.44 0.50 -0.30 4.77 1.13 -0.46 -3.18 117.38 115.40 1nkl n GLN 33 Ca 0.07 0.05 -0.01 0.00 -1.94 0.00 0.00 57.00 55.16 1nkl n GLN 33 Cb 0.43 -1.72 0.16 0.00 0.11 0.00 0.00 30.24 29.22 1nkl n GLN 33 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 1nkl h VAL 34 N 0.00 1.23 -0.02 5.09 3.04 0.19 0.68 116.25 126.47 1nkl h VAL 34 Ca 0.00 -0.47 -0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1nkl h VAL 34 Cb 0.90 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.15 1nkl h VAL 34 CO 0.00 0.24 -0.01 0.00 -1.01 0.00 0.00 177.57 176.79 1nkl h ASP 36 N -0.36 0.06 -0.12 0.00 3.58 -1.37 -2.99 116.42 115.22 1nkl h ASP 36 Ca 0.00 0.11 -0.22 0.00 0.42 0.00 0.00 57.03 57.35 1nkl h ASP 36 Cb 0.42 0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.61 1nkl h ASP 36 CO 0.00 0.03 -0.75 0.50 -2.88 0.00 0.00 179.24 176.15 1nkl h LYS 37 N 0.29 0.76 -5.67 0.28 3.64 -0.77 -3.24 116.57 111.86 1nkl h LYS 37 Ca 0.33 -0.61 -0.62 0.00 -1.27 0.00 0.00 60.65 58.48 1nkl h LYS 37 Cb 0.48 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 1nkl h LYS 37 CO -0.39 1.22 2.08 1.28 -2.27 0.00 0.00 179.45 181.36 1nkl n LEU 38 N -3.93 4.73 -4.84 5.20 4.77 -0.14 -4.96 117.00 117.82 1nkl n LEU 38 Ca -0.07 -3.80 -0.31 0.00 -0.03 0.00 0.00 56.01 51.80 1nkl n LEU 38 Cb 0.73 -1.74 0.02 0.00 -2.33 0.00 0.00 43.42 40.10 1nkl n LEU 38 CO 0.52 -0.13 0.71 -1.59 -1.33 0.00 0.00 177.39 175.58 1nkl s LYS 39 N 4.55 3.37 0.00 3.23 -2.85 -1.23 -1.56 119.74 125.25 1nkl s LYS 39 Ca 0.56 0.89 0.00 0.00 -1.00 0.00 0.00 55.97 56.42 1nkl s LYS 39 Cb 0.04 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.76 1nkl s LYS 39 CO 0.08 -0.75 0.00 -0.89 0.10 0.00 0.00 175.35 173.89 1nkl n ILE 40 N -2.69 0.00 1.66 3.79 5.41 -1.26 -4.46 119.36 121.81 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 0.18 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 0.61 -0.30 1.39 7.94 -1.11 -3.57 117.00 121.96 1nkl n LEU 41 Ca 0.00 -0.29 0.02 0.00 -1.11 0.00 0.00 56.01 54.63 1nkl n LEU 41 Cb 0.00 -0.07 0.21 0.00 0.53 0.00 0.00 43.42 44.09 1nkl n LEU 41 CO 0.00 0.15 1.26 -0.09 -1.11 0.00 0.00 177.39 177.59 1nkl h ARG 42 N 0.70 1.07 0.54 1.96 9.65 -1.36 -1.11 114.38 125.83 1nkl h ARG 42 Ca 0.00 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.79 1nkl h ARG 42 Cb 0.16 -0.24 0.01 0.00 -1.39 0.00 0.00 29.97 28.50 1nkl h ARG 42 CO 0.00 0.71 -0.26 0.78 2.80 0.00 0.00 179.97 184.00 1nkl h GLY 43 N 1.11 -0.76 0.98 2.80 0.00 -1.89 -0.91 103.07 104.40 1nkl h GLY 43 Ca 0.36 0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.97 1nkl h GLY 43 CO -0.11 -0.28 -0.03 -2.00 0.00 0.00 0.00 176.54 174.12 1nkl h LEU 44 N -0.79 -0.07 -0.26 3.11 7.12 -1.69 -1.21 115.31 121.53 1nkl h LEU 44 Ca -0.07 -0.02 0.05 0.00 0.13 0.00 0.00 57.88 57.97 1nkl h LEU 44 Cb 0.58 0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.68 1nkl h LEU 44 CO 0.12 -0.03 -0.06 0.00 -0.13 0.00 0.00 178.44 178.35 1nkl h LYS 46 N 0.01 0.93 0.21 0.00 1.57 -0.62 -0.11 116.57 118.55 1nkl h LYS 46 Ca 0.13 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1nkl h LYS 46 Cb 0.19 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1nkl h LYS 46 CO -0.27 0.61 -0.24 -0.22 -0.57 0.00 0.00 179.45 178.77 1nkl h LYS 47 N 0.96 -0.48 -0.05 3.15 1.63 -0.48 -0.94 116.57 120.36 1nkl h LYS 47 Ca 0.44 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 60.31 1nkl h LYS 47 Cb 0.41 0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 32.11 1nkl h LYS 47 CO -0.20 -0.32 -0.19 0.82 -3.45 0.00 0.00 179.45 176.11 1nkl h ILE 48 N -0.50 0.54 -0.54 2.00 2.04 -0.61 -0.32 117.51 120.13 1nkl h ILE 48 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1nkl h ILE 48 Cb 0.47 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1nkl h ILE 48 CO -0.08 0.00 0.30 0.24 0.00 0.00 0.00 178.15 178.62 1nkl h MET 49 N -0.28 0.74 -0.07 2.37 2.86 -0.97 -0.54 114.93 119.04 1nkl h MET 49 Ca 0.07 -0.07 -0.18 0.00 -2.06 0.00 0.00 59.70 57.47 1nkl h MET 49 Cb 0.38 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 31.89 1nkl h MET 49 CO -0.21 0.54 -0.64 -0.09 1.06 0.00 0.00 176.91 177.57 1nkl h ARG 50 N 0.75 0.56 0.03 1.72 2.43 -0.80 -2.81 114.38 116.26 1nkl h ARG 50 Ca 0.19 -0.51 0.01 0.00 -0.81 0.00 0.00 59.98 58.86 1nkl h ARG 50 Cb 0.01 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1nkl h ARG 50 CO -0.03 1.13 -0.05 1.03 -1.51 0.00 0.00 179.97 180.54 1nkl h SER 51 N 0.17 -0.14 -1.90 -3.80 0.87 -0.39 -3.35 113.55 105.00 1nkl h SER 51 Ca -0.06 0.02 -0.47 0.00 -1.23 0.00 0.00 61.79 60.04 1nkl h SER 51 Cb 1.30 0.05 -0.40 0.00 -0.44 0.00 0.00 62.40 62.91 1nkl h SER 51 CO 0.13 -0.08 -1.16 0.49 -0.53 0.00 0.00 176.83 175.68 1nkl n PHE 52 N -5.16 0.56 0.39 2.24 3.72 -0.27 -5.00 117.46 113.93 1nkl n PHE 52 Ca -0.07 -3.71 -0.17 0.00 -0.05 0.00 0.00 57.45 53.45 1nkl n PHE 52 Cb 0.09 -0.42 -0.08 0.00 -0.94 0.00 0.00 39.48 38.13 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 3.00 -1.05 -2.31 4.37 6.46 -1.65 -1.90 115.31 122.24 1nkl h LEU 53 Ca 0.08 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 1nkl h LEU 53 Cb 0.96 0.30 -0.00 0.00 -0.73 0.00 0.00 40.66 41.19 1nkl h LEU 53 CO 0.52 -0.66 -0.04 -0.09 -0.62 0.00 0.00 178.44 177.56 1nkl h ARG 54 N -1.06 0.00 -0.19 1.25 9.65 -1.95 -0.70 114.38 121.38 1nkl h ARG 54 Ca -0.10 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.76 1nkl h ARG 54 Cb 0.84 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.41 1nkl h ARG 54 CO 0.11 0.04 0.01 0.00 2.80 0.00 0.00 179.97 182.93 1nkl h ARG 55 N 0.00 0.32 0.00 0.20 2.47 -1.80 -2.18 114.38 113.39 1nkl h ARG 55 Ca -0.00 -0.10 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1nkl h ARG 55 Cb 0.10 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1nkl h ARG 55 CO 0.00 0.51 -0.01 0.82 0.56 0.00 0.00 179.97 181.86 1nkl h ILE 56 N 0.09 0.73 0.56 2.04 1.08 -0.38 0.70 117.51 122.33 1nkl h ILE 56 Ca 0.05 -0.04 -0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1nkl h ILE 56 Cb 0.36 1.02 0.01 0.00 -3.07 0.00 0.00 36.82 35.14 1nkl h ILE 56 CO 0.01 0.01 -0.27 -1.28 -0.69 0.00 0.00 178.15 175.93 1nkl h SER 57 N 0.00 -0.63 -0.75 1.72 0.87 -1.30 -2.49 113.55 110.97 1nkl h SER 57 Ca -0.00 0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.75 1nkl h SER 57 Cb 0.02 0.16 -0.13 0.00 -0.44 0.00 0.00 62.40 62.01 1nkl h SER 57 CO 0.00 -0.26 -0.05 -0.25 -0.53 0.00 0.00 176.83 175.74 1nkl h TRP 58 N -1.13 -0.15 0.09 2.24 7.01 -0.78 0.87 115.95 124.10 1nkl h TRP 58 Ca -0.08 0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1nkl h TRP 58 Cb 0.57 0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.77 1nkl h TRP 58 CO 0.01 -0.26 -0.52 -0.44 -2.79 0.00 0.00 178.44 174.44 1nkl h ASP 59 N 0.07 -1.57 -0.35 2.65 3.32 -0.87 -0.14 116.42 119.52 1nkl h ASP 59 Ca 0.39 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.61 1nkl h ASP 59 Cb 0.67 0.58 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1nkl h ASP 59 CO -0.69 -0.54 0.19 0.40 -1.72 0.00 0.00 179.24 176.89 1nkl h ILE 60 N -0.72 1.14 -0.41 0.35 5.03 -0.96 -2.20 117.51 119.75 1nkl h ILE 60 Ca -0.00 -0.37 -0.01 0.00 -0.12 0.00 0.00 64.86 64.37 1nkl h ILE 60 Cb 0.73 0.74 -0.02 0.00 -3.03 0.00 0.00 36.82 35.24 1nkl h ILE 60 CO -0.30 0.14 0.23 -0.07 -0.68 0.00 0.00 178.15 177.48 1nkl h LEU 61 N 0.45 0.48 -0.47 1.44 3.38 -0.51 0.12 115.31 120.20 1nkl h LEU 61 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1nkl h LEU 61 Cb 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1nkl h LEU 61 CO -0.02 0.39 0.00 0.35 0.09 0.00 0.00 178.44 179.25 1nkl n THR 62 N -4.44 0.17 -4.36 0.22 -2.24 -0.09 -4.91 114.28 98.63 1nkl n THR 62 Ca 0.03 -0.17 -0.33 0.00 -2.27 0.00 0.00 64.05 61.31 1nkl n THR 62 Cb 0.09 0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 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 0.71 -0.18 3.82 3.38 0.00 0.43 -4.90 105.19 108.45 1nkl n GLY 63 Ca 0.05 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 4.14 0.70 1.61 2.20 -0.83 -5.01 119.74 115.21 1nkl s LYS 64 Ca 0.18 0.70 -0.12 0.00 -0.36 0.00 0.00 55.97 56.36 1nkl s LYS 64 Cb -0.10 -2.99 0.02 0.00 -1.51 0.00 0.00 37.83 33.24 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 -1.75 2.70 0.06 4.03 -0.14 -1.26 -4.77 119.74 118.61 1nkl s LYS 65 Ca 0.38 1.18 -0.22 0.00 -1.36 0.00 0.00 55.97 55.95 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 -1.30 1.56 -1.00 -0.76 0.00 0.00 175.35 174.04 1nkl h PRO 66 N -0.52 0.16 -0.31 -1.68 0.13 -1.95 -1.31 132.00 126.53 1nkl h PRO 66 Ca -0.45 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1nkl h PRO 66 Cb 1.23 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1nkl h PRO 66 CO 0.54 0.32 0.21 0.37 -0.23 0.00 0.00 178.00 179.21 1nkl h GLN 67 N -0.04 0.33 0.12 0.86 5.75 -1.93 -0.85 115.11 119.36 1nkl h GLN 67 Ca 0.03 -0.02 -0.23 0.00 -0.15 0.00 0.00 58.65 58.28 1nkl h GLN 67 Cb 0.23 -0.07 0.02 0.00 1.07 0.00 0.00 27.48 28.73 1nkl h GLN 67 CO -0.00 0.22 -0.96 0.00 -2.65 0.00 0.00 178.83 175.43 1nkl h ALA 68 N 1.82 -0.05 -0.15 3.38 0.00 -1.89 -3.26 119.26 119.11 1nkl h ALA 68 Ca 0.12 -0.71 0.05 0.00 0.00 0.00 0.00 54.91 54.37 1nkl h ALA 68 Cb 0.08 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1nkl h ALA 68 CO -0.03 0.49 -0.19 0.82 0.00 0.00 0.00 179.25 180.34 1nkl h ILE 69 N -0.09 0.51 -0.80 0.00 2.04 -0.01 0.19 117.51 119.35 1nkl h ILE 69 Ca -0.16 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1nkl h ILE 69 Cb 1.71 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 1nkl h ILE 69 CO 0.18 0.00 0.47 0.00 0.00 0.00 0.00 178.15 178.80 1nkl h VAL 71 N 1.11 1.29 -0.38 0.00 2.07 -1.49 -0.04 116.25 118.82 1nkl h VAL 71 Ca 0.29 -0.90 0.07 0.00 0.82 0.00 0.00 66.70 66.98 1nkl h VAL 71 Cb -0.02 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1nkl h VAL 71 CO -0.05 0.24 0.02 -0.78 0.02 0.00 0.00 177.57 177.02 1nkl h ASP 72 N -0.25 -0.12 -0.02 0.57 1.82 -0.57 -1.68 116.42 116.17 1nkl h ASP 72 Ca 0.01 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1nkl h ASP 72 Cb 0.39 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.54 1nkl h ASP 72 CO 0.00 -0.02 0.00 2.30 -1.61 0.00 0.00 179.24 179.91 1nkl n ILE 73 N -5.17 0.01 -2.23 2.25 -5.35 -0.66 -4.99 119.36 103.23 1nkl n ILE 73 Ca 0.02 -0.23 -0.04 0.00 -0.27 0.00 0.00 62.75 62.22 1nkl n ILE 73 Cb 0.19 0.40 0.01 0.00 -1.74 0.00 0.00 39.64 38.50 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 0.08 -1.33 0.00 6.28 4.81 -0.63 -5.04 118.16 122.33 1nkl n LYS 74 Ca 0.19 1.41 0.00 0.00 -0.87 0.00 0.00 58.31 59.04 1nkl n LYS 74 Cb 0.33 -3.77 0.00 0.00 0.02 0.00 0.00 35.03 31.61 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 -0.36 0.00 0.00 3.15 5.41 -0.06 -5.03 119.36 122.48 1nkl n ILE 75 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1nkl n ILE 75 Cb 0.24 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.17 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 -0.38 0.68 0.00 0.00 3.00 -1.26 -0.33 118.16 119.86 1nkl n LYS 77 Ca 0.00 -1.56 0.14 0.00 -0.00 0.00 0.00 58.31 56.90 1nkl n LYS 77 Cb 0.00 -1.20 0.61 0.00 0.00 0.00 0.00 35.03 34.43 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79