#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1f h VAL 5 N 0.00 1.32 -0.56 0.52 -1.51 -2.05 -2.55 116.25 111.43 1k1f h VAL 5 Ca 0.00 -2.02 0.07 0.00 -1.23 0.00 0.00 66.70 63.52 1k1f h VAL 5 Cb 0.00 2.22 -0.06 0.00 -2.13 0.00 0.00 31.29 31.33 1k1f h VAL 5 CO 0.00 0.62 0.25 1.23 -1.23 0.00 0.00 177.57 178.44 1k1f h GLY 6 N 0.30 0.78 1.00 5.19 0.00 -2.05 0.45 103.07 108.74 1k1f h GLY 6 Ca -0.07 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 1k1f h GLY 6 CO 0.15 0.05 -0.24 -2.75 0.00 0.00 0.00 176.54 173.75 1k1f h PHE 7 N 0.46 0.90 0.42 5.60 3.57 -1.99 -2.42 116.94 123.48 1k1f h PHE 7 Ca 0.26 -0.25 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1k1f h PHE 7 Cb 0.25 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1k1f h PHE 7 CO -0.13 1.00 -0.20 0.00 -2.23 0.00 0.00 178.31 176.74 1k1f h ALA 8 N 0.76 -0.57 -0.58 2.41 0.00 -1.05 -0.22 119.26 120.02 1k1f h ALA 8 Ca 0.07 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1k1f h ALA 8 Cb 0.81 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1k1f h ALA 8 CO 0.07 -0.80 0.34 0.93 0.00 0.00 0.00 179.25 179.79 1k1f h GLU 9 N -0.61 0.65 0.00 0.00 5.08 -0.97 0.52 114.58 119.24 1k1f h GLU 9 Ca -0.06 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1k1f h GLU 9 Cb 0.46 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1k1f h GLU 9 CO 0.10 0.43 -0.16 0.00 -1.00 0.00 0.00 179.01 178.37 1k1f h ALA 10 N 1.26 1.18 -0.00 3.43 0.00 -1.37 -0.25 119.26 123.52 1k1f h ALA 10 Ca 0.24 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1k1f h ALA 10 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1k1f h ALA 10 CO -0.11 0.20 -0.21 2.35 0.00 0.00 0.00 179.25 181.47 1k1f h TRP 11 N 0.00 0.22 -0.57 0.00 2.91 0.46 -2.95 115.95 116.01 1k1f h TRP 11 Ca -0.00 -0.12 -0.05 0.00 1.13 0.00 0.00 58.89 59.86 1k1f h TRP 11 Cb 0.48 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 29.08 1k1f h TRP 11 CO 0.00 0.92 0.17 0.87 -1.03 0.00 0.00 178.44 179.37 1k1f h LYS 12 N -0.54 0.87 -0.10 2.65 1.57 -0.58 0.49 116.57 120.93 1k1f h LYS 12 Ca -0.03 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1k1f h LYS 12 Cb 0.97 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1k1f h LYS 12 CO 0.04 0.75 -0.05 0.00 -0.57 0.00 0.00 179.45 179.62 1k1f h ALA 13 N 1.35 1.74 0.12 3.86 0.00 -1.12 -3.05 119.26 122.16 1k1f h ALA 13 Ca 0.19 -0.11 -0.34 0.00 0.00 0.00 0.00 54.91 54.65 1k1f h ALA 13 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1k1f h ALA 13 CO -0.01 0.20 -1.82 1.96 0.00 0.00 0.00 179.25 179.58 1k1f h GLN 14 N 0.14 0.25 -3.07 0.00 4.20 -1.16 -3.43 115.11 112.05 1k1f h GLN 14 Ca 0.03 -0.43 -0.62 0.00 0.06 0.00 0.00 58.65 57.69 1k1f h GLN 14 Cb 0.19 0.16 -0.41 0.00 0.30 0.00 0.00 27.48 27.71 1k1f h GLN 14 CO 0.01 1.21 -0.62 -0.06 -0.67 0.00 0.00 178.83 178.70 1k1f s PHE 15 N -2.53 3.26 0.38 2.96 0.40 0.17 -4.93 117.98 117.68 1k1f s PHE 15 Ca -0.22 -3.20 0.37 0.00 -0.60 0.00 0.00 56.93 53.28 1k1f s PHE 15 Cb 0.06 -2.56 2.02 0.00 0.51 0.00 0.00 43.02 43.05 1k1f s PHE 15 CO 0.76 -0.61 2.15 -1.35 0.70 0.00 0.00 175.22 176.87 1k1f h PRO 16 N 5.63 0.00 0.00 0.24 0.11 -1.78 -2.38 132.00 133.82 1k1f h PRO 16 Ca 0.11 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 1k1f h PRO 16 Cb 0.79 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1k1f h PRO 16 CO 0.68 0.00 -1.65 -0.25 -0.21 0.00 0.00 178.00 176.57 1k1f n ASP 17 N -2.83 0.36 -4.99 -2.05 8.00 -1.26 -5.00 116.55 108.77 1k1f n ASP 17 Ca -0.02 0.14 -0.19 0.00 0.71 0.00 0.00 54.79 55.43 1k1f n ASP 17 Cb 0.07 1.25 0.01 0.00 -0.02 0.00 0.00 41.12 42.43 1k1f n ASP 17 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1k1f s SER 18 N -4.98 5.71 -0.16 -2.24 0.01 -0.90 -5.11 113.70 106.03 1k1f s SER 18 Ca -0.05 -0.20 -0.05 0.00 1.31 0.00 0.00 55.95 56.96 1k1f s SER 18 Cb 0.11 -0.96 -0.03 0.00 0.21 0.00 0.00 66.02 65.35 1k1f s SER 18 CO 0.86 -0.72 -0.01 -1.61 0.41 0.00 0.00 173.24 172.17 1k1f s GLU 19 N -4.39 3.76 -0.11 12.44 8.01 -1.26 -4.91 118.70 132.24 1k1f s GLU 19 Ca 0.52 -0.47 -0.38 0.00 0.01 0.00 0.00 54.97 54.65 1k1f s GLU 19 Cb -0.10 -3.00 -0.15 0.00 -4.31 0.00 0.00 34.13 26.57 1k1f s GLU 19 CO 0.34 0.25 1.66 -2.30 0.01 0.00 0.00 175.26 175.22 1k1f n PRO 20 N 3.54 1.45 -1.66 0.39 -0.02 -1.26 -4.84 135.00 132.60 1k1f n PRO 20 Ca -0.17 0.53 -0.46 0.00 -2.02 0.00 0.00 63.50 61.38 1k1f n PRO 20 Cb 0.52 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1k1f n PRO 20 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1k1f n PRO 21 N 4.76 1.91 -3.84 0.52 -0.04 -1.26 -5.14 135.00 131.91 1k1f n PRO 21 Ca 0.23 0.68 -0.34 0.00 -0.04 0.00 0.00 63.50 64.03 1k1f n PRO 21 Cb 0.19 -2.34 -0.05 0.00 -0.04 0.00 0.00 33.50 31.26 1k1f n PRO 21 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1k1f s ARG 22 N -0.10 3.50 -0.15 0.54 0.52 -1.26 -5.11 118.95 116.89 1k1f s ARG 22 Ca 0.72 -0.22 -0.04 0.00 -0.52 0.00 0.00 55.73 55.67 1k1f s ARG 22 Cb -0.69 -3.08 0.05 0.00 0.52 0.00 0.00 34.95 31.75 1k1f s ARG 22 CO 0.47 0.65 0.06 -1.21 0.02 0.00 0.00 175.30 175.30 1k1f s GLU 24 N -1.92 0.28 -0.58 3.54 0.41 -1.26 -5.27 118.70 113.90 1k1f s GLU 24 Ca 0.28 -0.10 0.06 0.00 -0.41 0.00 0.00 54.97 54.80 1k1f s GLU 24 Cb -0.13 -1.64 0.31 0.00 -1.78 0.00 0.00 34.13 30.89 1k1f s GLU 24 CO 0.18 -0.57 0.87 1.28 -0.49 0.00 0.00 175.26 176.52 1k1f n LEU 25 N 5.20 3.94 -0.01 1.80 4.77 -1.26 -4.65 117.00 126.79 1k1f n LEU 25 Ca -0.07 -5.55 -0.11 0.00 -0.03 0.00 0.00 56.01 50.25 1k1f n LEU 25 Cb 0.49 -0.48 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 1k1f n LEU 25 CO 0.10 2.26 -0.53 0.08 -1.33 0.00 0.00 177.39 177.98 1k1f h ARG 26 N 3.35 0.06 -5.86 3.23 -0.00 -2.01 -3.47 114.38 109.67 1k1f h ARG 26 Ca 0.15 -0.10 -0.60 0.00 -0.00 0.00 0.00 59.98 59.43 1k1f h ARG 26 Cb 0.59 0.04 -0.14 0.00 -0.00 0.00 0.00 29.97 30.46 1k1f h ARG 26 CO 0.80 0.67 -0.68 -1.54 -0.00 0.00 0.00 179.97 179.22 1k1f s SER 27 N -6.32 3.59 0.17 0.08 1.04 -1.26 -5.02 113.70 105.98 1k1f s SER 27 Ca -0.07 -1.20 -0.13 0.00 0.48 0.00 0.00 55.95 55.02 1k1f s SER 27 Cb 0.08 -0.32 0.07 0.00 0.10 0.00 0.00 66.02 65.94 1k1f s SER 27 CO 0.82 -0.23 1.76 0.58 0.98 0.00 0.00 173.24 177.15 1k1f h VAL 28 N 2.05 1.20 -0.84 5.02 2.07 -1.99 -1.68 116.25 122.08 1k1f h VAL 28 Ca -0.42 -0.54 0.17 0.00 0.82 0.00 0.00 66.70 66.74 1k1f h VAL 28 Cb 1.25 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1k1f h VAL 28 CO 0.70 0.22 0.55 1.23 0.02 0.00 0.00 177.57 180.30 1k1f h GLY 29 N 0.75 0.87 0.53 2.17 0.00 -1.99 0.15 103.07 105.55 1k1f h GLY 29 Ca 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1k1f h GLY 29 CO -0.03 0.04 -0.04 -0.55 0.00 0.00 0.00 176.54 175.96 1k1f h ASP 30 N 0.46 -0.10 0.11 0.19 3.32 -1.67 -2.22 116.42 116.52 1k1f h ASP 30 Ca 0.43 -0.40 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1k1f h ASP 30 Cb 0.95 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1k1f h ASP 30 CO -0.16 0.37 -0.13 0.40 -1.72 0.00 0.00 179.24 178.00 1k1f h ILE 31 N -0.59 0.71 -0.46 0.35 2.04 -0.57 -1.60 117.51 117.40 1k1f h ILE 31 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1k1f h ILE 31 Cb 0.49 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1k1f h ILE 31 CO 0.02 0.00 0.30 -0.33 0.00 0.00 0.00 178.15 178.14 1k1f h GLU 32 N -0.27 0.48 -0.24 2.37 5.08 -0.80 -0.83 114.58 120.38 1k1f h GLU 32 Ca 0.01 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1k1f h GLU 32 Cb 0.27 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1k1f h GLU 32 CO -0.04 0.32 -0.44 0.37 -1.00 0.00 0.00 179.01 178.21 1k1f h GLN 33 N 0.49 0.58 -0.17 2.33 4.15 -0.88 -0.12 115.11 121.49 1k1f h GLN 33 Ca 0.19 -0.31 -0.11 0.00 0.77 0.00 0.00 58.65 59.18 1k1f h GLN 33 Cb 0.13 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1k1f h GLN 33 CO -0.05 0.91 -0.39 0.93 -1.93 0.00 0.00 178.83 178.30 1k1f h GLU 34 N 0.47 0.37 -0.23 1.69 4.39 -0.49 -1.49 114.58 119.30 1k1f h GLU 34 Ca 0.03 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.46 1k1f h GLU 34 Cb 0.96 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1k1f h GLU 34 CO 0.09 0.71 -0.21 1.25 -1.16 0.00 0.00 179.01 179.69 1k1f h LEU 35 N 0.31 0.59 -0.72 1.33 5.85 -0.93 -0.13 115.31 121.61 1k1f h LEU 35 Ca 0.03 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 1k1f h LEU 35 Cb 0.83 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1k1f h LEU 35 CO 0.07 0.94 0.38 -0.33 -0.34 0.00 0.00 178.44 179.15 1k1f h GLU 36 N 0.26 1.02 -0.22 1.25 4.39 -0.96 -0.66 114.58 119.66 1k1f h GLU 36 Ca 0.04 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 1k1f h GLU 36 Cb 0.76 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1k1f h GLU 36 CO 0.05 0.78 -0.20 -0.09 -1.16 0.00 0.00 179.01 178.39 1k1f h ARG 37 N 1.00 0.39 -0.12 2.33 2.43 -1.16 -0.92 114.38 118.33 1k1f h ARG 37 Ca 0.25 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1k1f h ARG 37 Cb 0.07 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1k1f h ARG 37 CO -0.04 0.58 -0.08 0.00 -1.51 0.00 0.00 179.97 178.92 1k1f h ALA 38 N 1.43 0.18 -0.68 2.80 0.00 -0.52 -1.80 119.26 120.67 1k1f h ALA 38 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1k1f h ALA 38 Cb 0.56 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1k1f h ALA 38 CO 0.04 -0.01 0.36 0.87 0.00 0.00 0.00 179.25 180.51 1k1f h LYS 39 N -0.09 0.94 -0.50 0.00 1.57 -0.96 -1.80 116.57 115.72 1k1f h LYS 39 Ca 0.02 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1k1f h LYS 39 Cb 0.57 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1k1f h LYS 39 CO 0.02 0.69 -0.17 0.00 -0.57 0.00 0.00 179.45 179.43 1k1f h ALA 40 N 1.46 0.76 0.00 3.86 0.00 -1.11 -2.37 119.26 121.86 1k1f h ALA 40 Ca 0.24 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1k1f h ALA 40 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1k1f h ALA 40 CO -0.04 0.67 -0.29 0.77 0.00 0.00 0.00 179.25 180.36 1k1f h SER 41 N 0.86 0.00 0.28 0.00 0.02 -0.84 -2.77 113.55 111.11 1k1f h SER 41 Ca 0.12 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.83 1k1f h SER 41 Cb 0.73 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.28 1k1f h SER 41 CO 0.06 0.29 -1.02 0.40 -1.14 0.00 0.00 176.83 175.42 1k1f h ILE 42 N 0.00 1.38 -0.37 3.27 2.04 -1.07 -0.34 117.51 122.42 1k1f h ILE 42 Ca -0.00 -2.47 -0.10 0.00 1.00 0.00 0.00 64.86 63.28 1k1f h ILE 42 Cb 0.71 2.49 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 1k1f h ILE 42 CO 0.04 0.74 -0.19 0.03 0.00 0.00 0.00 178.15 178.77 1k1f h ARG 43 N 0.25 0.70 -0.12 2.37 3.08 -1.32 -0.35 114.38 118.99 1k1f h ARG 43 Ca -0.11 -0.26 -0.15 0.00 0.07 0.00 0.00 59.98 59.54 1k1f h ARG 43 Cb 1.67 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 31.69 1k1f h ARG 43 CO 0.18 0.84 -0.51 0.00 -1.07 0.00 0.00 179.97 179.41 1k1f h ARG 44 N 0.62 0.55 -0.65 0.04 3.08 -1.52 -2.53 114.38 113.97 1k1f h ARG 44 Ca 0.09 -0.44 -0.06 0.00 0.07 0.00 0.00 59.98 59.65 1k1f h ARG 44 Cb 0.67 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 1k1f h ARG 44 CO 0.05 1.06 0.18 -0.07 -1.07 0.00 0.00 179.97 180.12 1k1f h LEU 45 N 0.17 0.95 -0.64 3.04 4.07 -0.93 -0.99 115.31 120.97 1k1f h LEU 45 Ca -0.03 -0.18 -0.05 0.00 0.08 0.00 0.00 57.88 57.70 1k1f h LEU 45 Cb 1.15 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 1k1f h LEU 45 CO 0.11 0.90 -0.25 -0.08 -1.08 0.00 0.00 178.44 178.03 1k1f h GLU 46 N 0.97 0.00 0.06 1.13 4.57 -1.10 -0.52 114.58 119.68 1k1f h GLU 46 Ca 0.21 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.11 1k1f h GLU 46 Cb 0.31 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1k1f h GLU 46 CO -0.00 0.25 -1.13 0.37 -1.18 0.00 0.00 179.01 177.31 1k1f h GLN 47 N 0.00 0.67 -0.32 1.92 5.75 -1.00 -2.20 115.11 119.93 1k1f h GLN 47 Ca -0.00 -0.79 -0.12 0.00 -0.15 0.00 0.00 58.65 57.58 1k1f h GLN 47 Cb 0.95 0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 1k1f h GLN 47 CO 0.03 1.35 -0.26 0.93 -2.65 0.00 0.00 178.83 178.24 1k1f h GLU 48 N 0.33 0.74 -0.55 1.69 5.08 -1.05 -1.79 114.58 119.03 1k1f h GLU 48 Ca -0.16 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 57.74 1k1f h GLU 48 Cb 1.80 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.03 1k1f h GLU 48 CO 0.22 0.99 -0.03 0.28 -1.00 0.00 0.00 179.01 179.47 1k1f h VAL 49 N 0.51 1.26 -0.13 3.13 2.07 -1.17 -1.38 116.25 120.53 1k1f h VAL 49 Ca 0.06 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 1k1f h VAL 49 Cb 0.82 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1k1f h VAL 49 CO 0.07 0.41 -0.18 0.78 0.02 0.00 0.00 177.57 178.67 1k1f h ASN 50 N 0.89 0.21 0.08 0.57 -0.26 -1.33 -0.95 115.58 114.79 1k1f h ASN 50 Ca 0.16 -0.05 -0.22 0.00 -0.56 0.00 0.00 56.30 55.63 1k1f h ASN 50 Cb 0.56 -0.05 0.01 0.00 -1.06 0.00 0.00 38.32 37.77 1k1f h ASN 50 CO 0.03 0.41 -0.84 1.56 -1.06 0.00 0.00 177.43 177.53 1k1f h GLN 51 N 0.20 0.60 -0.26 0.81 4.20 -0.91 -2.26 115.11 117.50 1k1f h GLN 51 Ca 0.04 -0.54 -0.11 0.00 0.06 0.00 0.00 58.65 58.10 1k1f h GLN 51 Cb 0.44 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1k1f h GLN 51 CO 0.03 1.16 -0.30 0.93 -0.67 0.00 0.00 178.83 179.97 1k1f h GLU 52 N 0.39 0.53 -0.33 1.46 4.39 -0.84 -1.37 114.58 118.81 1k1f h GLU 52 Ca -0.06 -0.23 -0.07 0.00 0.34 0.00 0.00 59.36 59.34 1k1f h GLU 52 Cb 1.45 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.08 1k1f h GLU 52 CO 0.16 0.78 -0.05 0.00 -1.16 0.00 0.00 179.01 178.74 1k1f h ARG 53 N 0.46 0.62 -0.24 2.33 3.08 -1.19 -3.03 114.38 116.41 1k1f h ARG 53 Ca 0.06 -0.22 0.05 0.00 0.07 0.00 0.00 59.98 59.93 1k1f h ARG 53 Cb 0.76 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.72 1k1f h ARG 53 CO 0.06 0.78 -0.05 0.35 -1.07 0.00 0.00 179.97 180.03 1k1f h PHE 54 N 0.40 -0.11 0.00 3.04 3.57 -1.20 -0.78 116.94 121.86 1k1f h PHE 54 Ca 0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1k1f h PHE 54 Cb 0.53 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1k1f h PHE 54 CO 0.05 -0.10 0.00 0.54 -2.23 0.00 0.00 178.31 176.57 1k1f n ARG 55 N -5.21 0.00 0.00 1.11 1.74 -0.54 -1.49 116.66 112.27 1k1f n ARG 55 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1k1f n ARG 55 Cb 0.14 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1k1f n ARG 55 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1k1f n ILE 57 N 0.90 0.00 -0.22 0.55 5.41 -0.30 -0.21 119.36 125.50 1k1f n ILE 57 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.69 1k1f n ILE 57 Cb 0.00 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 38.97 1k1f n ILE 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 1k1f h TYR 58 N 0.00 0.81 -0.22 1.39 3.20 -1.52 -1.78 116.97 118.84 1k1f h TYR 58 Ca 0.00 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1k1f h TYR 58 Cb 0.00 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 1k1f h TYR 58 CO 0.00 0.53 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.83 1k1f h LEU 59 N 0.85 0.51 -1.94 2.82 3.38 -0.85 -0.96 115.31 119.13 1k1f h LEU 59 Ca 0.23 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1k1f h LEU 59 Cb -0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1k1f h LEU 59 CO -0.05 0.83 -0.09 -0.61 0.09 0.00 0.00 178.44 178.62 1k1f h GLN 60 N 0.19 0.00 -0.21 1.13 5.75 -1.77 0.21 115.11 120.42 1k1f h GLN 60 Ca 0.05 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.44 1k1f h GLN 60 Cb 0.66 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.21 1k1f h GLN 60 CO 0.04 0.09 -0.29 1.15 -2.65 0.00 0.00 178.83 177.16 1k1f h THR 61 N 0.00 1.33 -0.29 2.39 2.02 -1.07 -2.23 112.91 115.06 1k1f h THR 61 Ca -0.00 -1.49 -0.08 0.00 0.77 0.00 0.00 66.41 65.61 1k1f h THR 61 Cb 0.17 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1k1f h THR 61 CO 0.01 0.46 -0.12 -0.07 0.37 0.00 0.00 175.52 176.17 1k1f h LEU 62 N 0.25 0.61 0.15 2.58 3.38 -0.07 -3.14 115.31 119.06 1k1f h LEU 62 Ca 0.02 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.61 1k1f h LEU 62 Cb 0.87 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1k1f h LEU 62 CO 0.07 0.87 -0.43 0.25 0.09 0.00 0.00 178.44 179.29 1k1f h LEU 63 N 0.34 -1.25 -0.78 1.67 6.46 -0.64 -3.04 115.31 118.08 1k1f h LEU 63 Ca 0.07 0.14 0.08 0.00 -0.12 0.00 0.00 57.88 58.04 1k1f h LEU 63 Cb 0.63 0.46 -0.10 0.00 -0.73 0.00 0.00 40.66 40.93 1k1f h LEU 63 CO 0.04 -0.50 -0.43 0.00 -0.62 0.00 0.00 178.44 176.93 1k1f n ALA 64 N -2.83 -0.42 -0.85 1.25 0.00 -0.84 -0.57 120.51 116.25 1k1f n ALA 64 Ca -0.08 0.68 -0.15 0.00 0.00 0.00 0.00 53.44 53.90 1k1f n ALA 64 Cb 0.38 -0.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.58 1k1f n ALA 64 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1k1f n LYS 65 N -5.00 1.92 -0.11 0.00 5.02 -1.15 -5.12 118.16 113.72 1k1f n LYS 65 Ca 0.03 -1.06 0.00 0.00 -2.02 0.00 0.00 58.31 55.26 1k1f n LYS 65 Cb 0.22 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 1k1f n LYS 65 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97