#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 0.63 -1.00 1.61 3.20 -1.92 -0.74 116.97 118.75 1nkl h TYR 2 Ca 0.00 0.02 0.34 0.00 3.14 0.00 0.00 58.73 62.23 1nkl h TYR 2 Cb 0.00 -0.17 -0.16 0.00 1.54 0.00 0.00 36.73 37.94 1nkl h TYR 2 CO 0.00 -0.04 0.56 0.74 -1.64 0.00 0.00 178.16 177.77 1nkl h PHE 3 N 0.29 0.90 0.28 -3.82 0.04 -1.90 -2.08 116.94 110.65 1nkl h PHE 3 Ca 0.68 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 61.47 1nkl h PHE 3 Cb 1.86 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.78 1nkl h PHE 3 CO -0.00 -0.24 -0.13 0.00 -0.60 0.00 0.00 178.31 177.34 1nkl h GLU 5 N -0.42 -0.94 -0.60 0.00 4.22 -1.57 0.05 114.58 115.31 1nkl h GLU 5 Ca -0.04 0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.39 1nkl h GLU 5 Cb 0.32 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1nkl h GLU 5 CO 0.06 -0.63 0.07 0.77 -2.18 0.00 0.00 179.01 177.10 1nkl h SER 6 N -0.98 0.94 -0.15 1.04 0.02 -1.40 0.82 113.55 113.83 1nkl h SER 6 Ca -0.07 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 60.68 1nkl h SER 6 Cb 0.82 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1nkl h SER 6 CO 0.02 0.96 0.01 0.00 -1.14 0.00 0.00 176.83 176.67 1nkl h ARG 8 N 0.06 -0.67 -0.78 0.00 2.43 -0.29 -2.02 114.38 113.12 1nkl h ARG 8 Ca 0.07 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.42 1nkl h ARG 8 Cb 0.08 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 29.69 1nkl h ARG 8 CO -0.11 -0.44 0.36 -0.22 -1.51 0.00 0.00 179.97 178.04 1nkl h LYS 9 N -0.69 0.53 0.74 0.20 3.64 -0.69 0.19 116.57 120.49 1nkl h LYS 9 Ca -0.03 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1nkl h LYS 9 Cb 0.60 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1nkl h LYS 9 CO -0.02 0.35 -0.45 0.82 -2.27 0.00 0.00 179.45 177.88 1nkl h ILE 10 N 0.55 0.09 -0.66 2.00 2.04 -0.55 -2.69 117.51 118.28 1nkl h ILE 10 Ca 0.41 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.21 1nkl h ILE 10 Cb 0.57 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1nkl h ILE 10 CO -0.35 0.00 0.17 0.40 0.00 0.00 0.00 178.15 178.37 1nkl h ILE 11 N -1.12 1.25 -0.45 -0.67 5.03 -0.97 -2.78 117.51 117.80 1nkl h ILE 11 Ca -0.10 -0.92 0.08 0.00 -0.12 0.00 0.00 64.86 63.81 1nkl h ILE 11 Cb 0.90 0.56 -0.07 0.00 -3.03 0.00 0.00 36.82 35.18 1nkl h ILE 11 CO 0.10 0.35 0.05 1.56 -0.68 0.00 0.00 178.15 179.53 1nkl h GLN 12 N 1.00 0.16 0.00 2.37 1.08 -0.39 0.32 115.11 119.65 1nkl h GLN 12 Ca 0.21 -0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.31 1nkl h GLN 12 Cb 0.34 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1nkl h GLN 12 CO -0.00 0.11 -0.45 -0.22 -0.95 0.00 0.00 178.83 177.32 1nkl h LYS 13 N 0.17 0.00 0.44 1.46 1.63 -1.50 -1.39 116.57 117.38 1nkl h LYS 13 Ca 0.23 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.00 1nkl h LYS 13 Cb 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1nkl h LYS 13 CO -0.33 0.45 -0.21 1.25 -3.45 0.00 0.00 179.45 177.16 1nkl h LEU 14 N 0.00 -0.50 -0.14 5.20 6.46 -0.56 -2.35 115.31 123.42 1nkl h LEU 14 Ca -0.00 -0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1nkl h LEU 14 Cb 0.88 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.91 1nkl h LEU 14 CO 0.06 -0.28 -0.06 -0.08 -0.62 0.00 0.00 178.44 177.46 1nkl h GLU 15 N -0.69 -0.03 -0.77 1.25 4.81 -0.44 0.14 114.58 118.85 1nkl h GLU 15 Ca -0.06 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1nkl h GLU 15 Cb 0.50 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.82 1nkl h GLU 15 CO 0.10 -0.02 0.44 0.22 -0.73 0.00 0.00 179.01 179.01 1nkl h ASP 16 N -0.03 0.64 0.04 1.04 1.82 -1.33 -1.22 116.42 117.37 1nkl h ASP 16 Ca 0.08 0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 56.70 1nkl h ASP 16 Cb 0.15 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.08 1nkl h ASP 16 CO -0.17 0.38 -0.26 0.24 -1.61 0.00 0.00 179.24 177.82 1nkl h MET 17 N 0.76 0.08 -0.26 0.28 2.86 -0.83 -3.31 114.93 114.51 1nkl h MET 17 Ca 0.36 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1nkl h MET 17 Cb 0.29 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1nkl h MET 17 CO -0.22 1.07 0.09 -0.24 1.06 0.00 0.00 176.91 178.67 1nkl h VAL 18 N -0.83 1.11 -0.09 -2.22 3.04 -0.76 -3.49 116.25 113.02 1nkl h VAL 18 Ca -0.05 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 1nkl h VAL 18 Cb 1.18 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 1nkl h VAL 18 CO 0.03 0.14 0.00 0.61 -1.01 0.00 0.00 177.57 177.34 1nkl n GLY 19 N -1.27 -1.86 3.76 3.17 0.00 -0.46 -4.69 105.19 103.84 1nkl n GLY 19 Ca 0.01 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 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 1.47 -0.64 1.61 0.04 -1.26 -4.28 135.00 131.94 1nkl s PRO 20 Ca 0.00 0.63 -0.16 0.00 0.04 0.00 0.00 61.00 61.51 1nkl s PRO 20 Cb 0.00 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.71 1nkl s PRO 20 CO 0.00 -2.05 0.31 1.04 0.04 0.00 0.00 177.00 176.34 1nkl n GLN 21 N -3.72 -0.66 -1.65 4.56 1.13 -1.26 -4.96 117.38 110.82 1nkl n GLN 21 Ca 0.07 -0.21 -0.30 0.00 -1.94 0.00 0.00 57.00 54.62 1nkl n GLN 21 Cb 0.56 -0.88 0.21 0.00 0.11 0.00 0.00 30.24 30.25 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 -6.17 -0.11 0.07 -1.09 0.04 -1.26 -5.11 135.00 121.37 1nkl s PRO 22 Ca 0.23 -0.34 -0.01 0.00 0.04 0.00 0.00 61.00 60.92 1nkl s PRO 22 Cb -0.13 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1nkl s PRO 22 CO 0.50 -2.93 -0.02 0.54 0.04 0.00 0.00 177.00 175.13 1nkl s ASN 23 N -4.59 0.57 0.34 6.66 2.20 -1.26 -4.89 114.94 113.97 1nkl s ASN 23 Ca 0.74 -1.03 0.14 0.00 -0.94 0.00 0.00 52.86 51.77 1nkl s ASN 23 Cb -0.05 0.20 1.12 0.00 -2.00 0.00 0.00 41.25 40.52 1nkl s ASN 23 CO 0.54 -0.60 1.60 -0.08 -2.94 0.00 0.00 177.10 175.63 1nkl h GLU 24 N 3.09 0.10 0.24 3.55 4.57 -1.99 0.14 114.58 124.28 1nkl h GLU 24 Ca -0.34 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.82 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 0.65 0.06 -0.11 0.22 -1.18 0.00 0.00 179.01 178.65 1nkl h ASP 25 N 0.10 -0.27 -0.54 1.04 3.58 -1.98 -1.78 116.42 116.56 1nkl h ASP 25 Ca 0.75 -0.24 0.02 0.00 0.42 0.00 0.00 57.03 57.99 1nkl h ASP 25 Cb 1.83 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.92 1nkl h ASP 25 CO -0.75 0.13 0.36 0.74 -2.88 0.00 0.00 179.24 176.85 1nkl h THR 26 N -0.73 1.09 -0.23 2.25 2.02 -1.45 0.23 112.91 116.08 1nkl h THR 26 Ca -0.03 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1nkl h THR 26 Cb 0.49 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1nkl h THR 26 CO 0.05 0.12 -0.03 0.58 0.37 0.00 0.00 175.52 176.62 1nkl h VAL 27 N 0.66 1.27 -0.35 3.16 2.07 -1.14 0.14 116.25 122.07 1nkl h VAL 27 Ca 0.21 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.80 1nkl h VAL 27 Cb 0.03 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1nkl h VAL 27 CO -0.05 0.30 0.09 0.74 0.02 0.00 0.00 177.57 178.67 1nkl h THR 28 N 0.18 0.85 0.36 2.57 2.02 0.26 0.17 112.91 119.32 1nkl h THR 28 Ca 0.06 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1nkl h THR 28 Cb 0.47 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1nkl h THR 28 CO 0.02 0.04 -0.17 0.06 0.37 0.00 0.00 175.52 175.83 1nkl h GLN 29 N 0.22 -0.47 -0.77 6.66 3.07 -0.93 -0.53 115.11 122.36 1nkl h GLN 29 Ca 0.17 0.03 0.13 0.00 0.09 0.00 0.00 58.65 59.07 1nkl h GLN 29 Cb 0.17 0.11 -0.05 0.00 0.08 0.00 0.00 27.48 27.78 1nkl h GLN 29 CO -0.20 -0.15 0.51 0.00 0.09 0.00 0.00 178.83 179.08 1nkl h ALA 30 N -0.55 1.99 0.03 0.06 0.00 -0.81 -0.02 119.26 119.96 1nkl h ALA 30 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1nkl h ALA 30 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1nkl h ALA 30 CO 0.08 -0.19 -0.31 0.00 0.00 0.00 0.00 179.25 178.84 1nkl h ALA 31 N 1.63 0.01 -0.20 0.00 0.00 -0.73 0.44 119.26 120.41 1nkl h ALA 31 Ca 0.38 -0.61 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1nkl h ALA 31 Cb 0.73 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1nkl h ALA 31 CO -0.14 0.16 0.16 0.66 0.00 0.00 0.00 179.25 180.09 1nkl h SER 32 N -0.85 0.00 0.70 0.00 4.64 -0.47 -0.25 113.55 117.32 1nkl h SER 32 Ca -0.06 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.04 1nkl h SER 32 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 1nkl h SER 32 CO 0.02 0.00 -1.43 1.56 -0.87 0.00 0.00 176.83 176.10 1nkl h GLN 33 N 0.00 0.00 -0.51 4.77 7.50 -1.10 -3.19 115.11 122.58 1nkl h GLN 33 Ca 0.10 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.29 1nkl h GLN 33 Cb 0.42 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.91 1nkl h GLN 33 CO -0.00 0.42 0.25 -0.24 -1.50 0.00 0.00 178.83 177.76 1nkl h VAL 34 N 0.00 0.95 0.16 -0.54 3.04 0.17 0.92 116.25 120.95 1nkl h VAL 34 Ca -0.19 -0.17 -0.01 0.00 -1.01 0.00 0.00 66.70 65.33 1nkl h VAL 34 Cb 1.74 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1nkl h VAL 34 CO 0.06 0.09 -0.08 0.00 -1.01 0.00 0.00 177.57 176.64 1nkl h ASP 36 N -0.63 0.46 -0.08 0.00 3.58 -1.36 -3.14 116.42 115.25 1nkl h ASP 36 Ca -0.02 0.09 -0.11 0.00 0.42 0.00 0.00 57.03 57.41 1nkl h ASP 36 Cb 0.47 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1nkl h ASP 36 CO 0.04 0.20 -0.37 0.50 -2.88 0.00 0.00 179.24 176.72 1nkl h LYS 37 N 0.58 0.39 -6.08 0.28 3.64 -0.78 -3.38 116.57 111.21 1nkl h LYS 37 Ca 0.44 -0.32 -0.50 0.00 -1.27 0.00 0.00 60.65 59.00 1nkl h LYS 37 Cb 0.61 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 1nkl h LYS 37 CO -0.36 0.95 1.21 -0.51 -2.27 0.00 0.00 179.45 178.48 1nkl s LEU 38 N -8.67 3.25 0.75 5.20 1.02 -0.84 -4.98 118.68 114.42 1nkl s LEU 38 Ca -0.14 -0.09 -0.11 0.00 0.02 0.00 0.00 54.13 53.81 1nkl s LEU 38 Cb 0.04 -2.54 0.04 0.00 0.02 0.00 0.00 46.19 43.75 1nkl s LEU 38 CO 0.79 -2.20 1.10 -1.59 0.02 0.00 0.00 176.35 174.47 1nkl s LYS 39 N 6.53 2.48 0.00 1.70 0.00 -1.26 -1.55 119.74 127.64 1nkl s LYS 39 Ca 0.56 0.52 0.00 0.00 0.00 0.00 0.00 55.97 57.06 1nkl s LYS 39 Cb -0.10 -1.97 0.00 0.00 0.00 0.00 0.00 37.83 35.76 1nkl s LYS 39 CO 0.15 -1.32 0.00 -0.89 0.00 0.00 0.00 175.35 173.30 1nkl n ILE 40 N -3.21 0.00 1.62 3.79 2.08 -1.26 -4.29 119.36 118.09 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 0.57 0.00 0.15 0.00 -0.75 0.00 0.00 39.64 39.61 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 0.67 0.06 1.39 -0.00 -1.24 -3.98 117.00 113.90 1nkl n LEU 41 Ca 0.00 -0.32 -0.12 0.00 -0.00 0.00 0.00 56.01 55.57 1nkl n LEU 41 Cb 0.00 -0.08 -0.06 0.00 -0.00 0.00 0.00 43.42 43.29 1nkl n LEU 41 CO 0.00 0.16 0.82 -0.09 -0.00 0.00 0.00 177.39 178.28 1nkl h ARG 42 N 0.76 -0.14 -0.56 1.96 2.43 -1.46 -2.97 114.38 114.41 1nkl h ARG 42 Ca 0.00 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1nkl h ARG 42 Cb 0.17 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.68 1nkl h ARG 42 CO 0.00 -0.09 0.16 0.78 -1.51 0.00 0.00 179.97 179.31 1nkl h GLY 43 N -0.14 0.73 0.88 2.80 0.00 -1.87 0.58 103.07 106.04 1nkl h GLY 43 Ca 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1nkl h GLY 43 CO -0.06 -0.05 -0.18 -2.00 0.00 0.00 0.00 176.54 174.25 1nkl h LEU 44 N 0.31 -0.43 -0.13 3.11 7.12 -1.83 -1.74 115.31 121.73 1nkl h LEU 44 Ca 0.28 -0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.28 1nkl h LEU 44 Cb 0.37 0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 40.56 1nkl h LEU 44 CO -0.32 -0.21 -0.20 0.00 -0.13 0.00 0.00 178.44 177.58 1nkl h LYS 46 N -0.25 1.03 -0.20 0.00 1.79 -0.70 0.21 116.57 118.45 1nkl h LYS 46 Ca 0.10 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1nkl h LYS 46 Cb 0.40 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1nkl h LYS 46 CO -0.28 0.68 -0.00 -0.22 -1.08 0.00 0.00 179.45 178.55 1nkl h LYS 47 N 1.07 0.36 -0.21 3.15 3.11 -0.85 -1.37 116.57 121.83 1nkl h LYS 47 Ca 0.41 -0.12 0.05 0.00 -2.81 0.00 0.00 60.65 58.18 1nkl h LYS 47 Cb 0.21 -0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.35 1nkl h LYS 47 CO -0.16 0.56 -0.14 0.82 -2.81 0.00 0.00 179.45 177.73 1nkl h ILE 48 N 0.12 0.60 -0.26 2.00 1.08 0.24 -0.71 117.51 120.58 1nkl h ILE 48 Ca 0.06 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.47 1nkl h ILE 48 Cb 0.40 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 1nkl h ILE 48 CO 0.01 0.00 -0.07 0.24 -0.69 0.00 0.00 178.15 177.64 1nkl h MET 49 N -0.13 0.50 -0.71 2.37 2.86 -0.96 0.18 114.93 119.04 1nkl h MET 49 Ca 0.12 -0.19 0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1nkl h MET 49 Cb 0.31 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 1nkl h MET 49 CO -0.29 0.72 0.47 -0.09 1.06 0.00 0.00 176.91 178.78 1nkl h ARG 50 N 0.24 0.72 -0.01 1.72 9.65 -0.96 0.85 114.38 126.59 1nkl h ARG 50 Ca 0.06 -0.04 -0.20 0.00 -1.10 0.00 0.00 59.98 58.70 1nkl h ARG 50 Cb 0.54 -0.16 0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1nkl h ARG 50 CO 0.03 0.48 -0.78 1.03 2.80 0.00 0.00 179.97 183.52 1nkl h SER 51 N 0.74 0.70 -0.29 -3.80 0.87 -0.81 -3.42 113.55 107.53 1nkl h SER 51 Ca 0.30 -0.75 -0.22 0.00 -1.23 0.00 0.00 61.79 59.90 1nkl h SER 51 Cb 0.24 -0.21 -0.35 0.00 -0.44 0.00 0.00 62.40 61.64 1nkl h SER 51 CO -0.10 1.35 -0.95 0.49 -0.53 0.00 0.00 176.83 177.10 1nkl n PHE 52 N -4.07 0.52 0.37 2.24 3.72 0.62 -5.00 117.46 115.86 1nkl n PHE 52 Ca -0.10 -1.81 -0.18 0.00 -0.05 0.00 0.00 57.45 55.30 1nkl n PHE 52 Cb 0.76 0.09 -0.09 0.00 -0.94 0.00 0.00 39.48 39.30 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 2.06 -1.04 -2.24 4.37 5.85 -1.00 -1.23 115.31 122.09 1nkl h LEU 53 Ca -0.21 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.61 1nkl h LEU 53 Cb 1.36 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 1nkl h LEU 53 CO 0.10 -0.64 0.18 -0.09 -0.34 0.00 0.00 178.44 177.65 1nkl h ARG 54 N -1.02 0.00 0.18 1.25 2.43 -1.94 0.24 114.38 115.52 1nkl h ARG 54 Ca -0.08 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1nkl h ARG 54 Cb 0.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1nkl h ARG 54 CO 0.08 0.00 -0.08 0.00 -1.51 0.00 0.00 179.97 178.46 1nkl h ARG 55 N 0.00 -0.23 -0.34 0.20 2.47 -1.65 -0.98 114.38 113.86 1nkl h ARG 55 Ca 0.08 0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.87 1nkl h ARG 55 Cb 0.44 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.79 1nkl h ARG 55 CO -0.00 0.08 0.23 0.82 0.56 0.00 0.00 179.97 181.65 1nkl h ILE 56 N -0.54 0.93 -0.06 2.04 5.03 -0.46 -1.62 117.51 122.83 1nkl h ILE 56 Ca -0.02 -0.07 -0.02 0.00 -0.12 0.00 0.00 64.86 64.63 1nkl h ILE 56 Cb 0.41 0.72 -0.00 0.00 -3.03 0.00 0.00 36.82 34.92 1nkl h ILE 56 CO 0.04 0.04 -0.03 -1.28 -0.68 0.00 0.00 178.15 176.23 1nkl h SER 57 N 0.20 0.13 -0.55 1.72 0.87 -0.87 -1.19 113.55 113.86 1nkl h SER 57 Ca 0.15 -0.43 0.11 0.00 -1.23 0.00 0.00 61.79 60.39 1nkl h SER 57 Cb 0.35 -0.04 -0.11 0.00 -0.44 0.00 0.00 62.40 62.16 1nkl h SER 57 CO -0.02 0.53 -0.18 -0.25 -0.53 0.00 0.00 176.83 176.38 1nkl h TRP 58 N -0.27 -0.41 -0.19 2.24 7.01 -0.26 0.14 115.95 124.22 1nkl h TRP 58 Ca 0.01 0.05 0.05 0.00 2.11 0.00 0.00 58.89 61.12 1nkl h TRP 58 Cb 0.49 0.27 -0.07 0.00 -2.10 0.00 0.00 29.16 27.75 1nkl h TRP 58 CO 0.07 -0.27 -0.26 -0.44 -2.79 0.00 0.00 178.44 174.75 1nkl h ASP 59 N -0.04 -0.83 -0.36 2.65 3.32 -1.18 -0.49 116.42 119.49 1nkl h ASP 59 Ca 0.26 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 1nkl h ASP 59 Cb 0.44 0.37 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 1nkl h ASP 59 CO -0.59 -0.30 0.22 0.40 -1.72 0.00 0.00 179.24 177.24 1nkl h ILE 60 N -0.30 1.12 -0.83 0.35 1.08 0.07 0.14 117.51 119.14 1nkl h ILE 60 Ca 0.12 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1nkl h ILE 60 Cb 0.48 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 1nkl h ILE 60 CO -0.36 0.12 0.50 -0.07 -0.69 0.00 0.00 178.15 177.65 1nkl h LEU 61 N 0.47 1.00 -1.15 1.44 3.38 -0.63 -0.18 115.31 119.63 1nkl h LEU 61 Ca 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1nkl h LEU 61 Cb 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1nkl h LEU 61 CO -0.02 0.77 0.00 0.35 0.09 0.00 0.00 178.44 179.62 1nkl n THR 62 N -4.37 0.45 -3.80 0.22 -2.24 -0.20 -4.95 114.28 99.39 1nkl n THR 62 Ca 0.09 -0.40 -0.24 0.00 -2.27 0.00 0.00 64.05 61.23 1nkl n THR 62 Cb 0.07 0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.36 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 0.89 -0.13 3.82 3.38 0.00 -0.08 -4.92 105.19 108.14 1nkl n GLY 63 Ca 0.10 0.12 -0.37 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 -6.06 4.19 0.69 1.61 2.20 0.31 -4.98 119.74 117.71 1nkl s LYS 64 Ca 0.12 0.75 -0.13 0.00 -0.36 0.00 0.00 55.97 56.35 1nkl s LYS 64 Cb -0.07 -3.06 0.01 0.00 -1.51 0.00 0.00 37.83 33.20 1nkl s LYS 64 CO 0.73 0.52 1.08 0.15 -0.36 0.00 0.00 175.35 177.48 1nkl s LYS 65 N -1.58 2.75 0.11 4.03 3.01 -1.26 -4.66 119.74 122.15 1nkl s LYS 65 Ca 0.36 1.17 -0.21 0.00 -1.01 0.00 0.00 55.97 56.28 1nkl s LYS 65 Cb -0.18 -1.96 -0.09 0.00 -1.01 0.00 0.00 37.83 34.59 1nkl s LYS 65 CO 0.20 -1.26 1.76 -1.00 0.51 0.00 0.00 175.35 175.57 1nkl h PRO 66 N -0.46 0.18 0.00 -1.68 0.13 -1.95 -1.27 132.00 126.95 1nkl h PRO 66 Ca -0.45 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1nkl h PRO 66 Cb 1.23 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1nkl h PRO 66 CO 0.54 0.12 -0.03 0.37 -0.23 0.00 0.00 178.00 178.77 1nkl h GLN 67 N 0.18 0.00 0.02 0.86 4.15 -1.93 -0.37 115.11 118.02 1nkl h GLN 67 Ca 0.05 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.26 1nkl h GLN 67 Cb -0.02 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1nkl h GLN 67 CO -0.02 0.03 -1.01 0.00 -1.93 0.00 0.00 178.83 175.91 1nkl h ALA 68 N 1.97 0.36 0.37 3.38 0.00 -1.64 -3.19 119.26 120.49 1nkl h ALA 68 Ca -0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 1nkl h ALA 68 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1nkl h ALA 68 CO 0.00 1.15 -0.31 0.82 0.00 0.00 0.00 179.25 180.91 1nkl h ILE 69 N 0.02 0.36 -0.90 0.00 2.04 -0.20 -1.87 117.51 116.97 1nkl h ILE 69 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1nkl h ILE 69 Cb 1.74 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 38.13 1nkl h ILE 69 CO 0.14 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.88 1nkl h VAL 71 N 1.07 1.28 -0.31 0.00 2.07 -1.53 0.15 116.25 118.97 1nkl h VAL 71 Ca 0.37 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 67.08 1nkl h VAL 71 Cb 0.11 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1nkl h VAL 71 CO -0.13 0.24 0.05 -0.78 0.02 0.00 0.00 177.57 176.97 1nkl h ASP 72 N -0.20 -0.02 0.07 0.57 1.82 -0.42 -1.78 116.42 116.46 1nkl h ASP 72 Ca 0.02 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1nkl h ASP 72 Cb 0.38 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.47 1nkl h ASP 72 CO 0.01 0.02 -0.03 2.30 -1.61 0.00 0.00 179.24 179.93 1nkl n ILE 73 N -5.11 0.00 -2.25 2.25 -5.35 -0.33 -4.96 119.36 103.60 1nkl n ILE 73 Ca 0.00 -0.12 -0.02 0.00 -0.27 0.00 0.00 62.75 62.34 1nkl n ILE 73 Cb 0.14 0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 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 -0.49 -1.00 0.00 6.28 4.81 -0.67 -5.03 118.16 122.05 1nkl n LYS 74 Ca 0.20 1.21 0.00 0.00 -0.87 0.00 0.00 58.31 58.84 1nkl n LYS 74 Cb 0.25 -3.71 0.00 0.00 0.02 0.00 0.00 35.03 31.59 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 -0.84 0.00 0.00 3.15 5.41 0.49 -5.01 119.36 122.56 1nkl n ILE 75 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1nkl n ILE 75 Cb 0.36 0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.30 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 -0.19 0.72 0.00 0.00 4.81 -1.26 -0.08 118.16 122.15 1nkl n LYS 77 Ca 0.00 -2.32 0.14 0.00 -0.87 0.00 0.00 58.31 55.26 1nkl n LYS 77 Cb 0.00 -1.39 0.50 0.00 0.02 0.00 0.00 35.03 34.16 1nkl n LYS 77 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96