#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1f n ASP 3 N 0.00 0.00 0.00 4.52 8.00 -1.26 -4.95 116.55 122.86 1k1f n ASP 3 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1k1f n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1k1f n ASP 3 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1k1f n PRO 4 N 0.00 1.52 0.00 -0.24 -0.02 -1.26 -3.30 135.00 131.70 1k1f n PRO 4 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1k1f n PRO 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1k1f n PRO 4 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1k1f n VAL 5 N 0.00 0.00 -0.25 -1.45 0.24 -1.26 0.72 118.33 116.33 1k1f n VAL 5 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 1k1f n VAL 5 Cb 0.00 0.00 0.39 0.00 -1.47 0.00 0.00 33.84 32.76 1k1f n VAL 5 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1k1f h GLY 6 N 0.00 1.13 0.83 7.63 0.00 -1.98 -2.15 103.07 108.53 1k1f h GLY 6 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1k1f h GLY 6 CO 0.00 0.10 -0.29 -2.75 0.00 0.00 0.00 176.54 173.60 1k1f h PHE 7 N 0.68 -0.75 -0.21 5.60 3.57 2.46 -3.00 116.94 125.29 1k1f h PHE 7 Ca 0.43 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.94 1k1f h PHE 7 Cb 0.69 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 1k1f h PHE 7 CO -0.00 -0.42 0.02 0.00 -2.23 0.00 0.00 178.31 175.68 1k1f h ALA 8 N -0.71 0.20 0.00 2.41 0.00 -1.56 0.86 119.26 120.47 1k1f h ALA 8 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k1f h ALA 8 Cb 0.67 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1k1f h ALA 8 CO 0.14 -0.41 0.11 0.93 0.00 0.00 0.00 179.25 180.01 1k1f h GLU 9 N 0.10 0.00 0.07 0.00 5.08 -1.45 1.34 114.58 119.71 1k1f h GLU 9 Ca 0.10 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.12 1k1f h GLU 9 Cb 0.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1k1f h GLU 9 CO -0.15 0.00 -1.90 0.00 -1.00 0.00 0.00 179.01 175.96 1k1f n ALA 10 N -1.72 1.16 0.35 3.43 0.00 0.12 -3.14 120.51 120.71 1k1f n ALA 10 Ca -0.01 -0.69 -0.14 0.00 0.00 0.00 0.00 53.44 52.59 1k1f n ALA 10 Cb 0.14 -0.72 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 1k1f n ALA 10 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1k1f h TRP 11 N 0.04 -0.85 -0.88 0.00 2.91 0.31 0.25 115.95 117.73 1k1f h TRP 11 Ca -0.38 -0.02 0.08 0.00 1.13 0.00 0.00 58.89 59.71 1k1f h TRP 11 Cb 2.03 0.28 -0.06 0.00 -0.51 0.00 0.00 29.16 30.90 1k1f h TRP 11 CO 0.04 -0.52 0.57 0.87 -1.03 0.00 0.00 178.44 178.37 1k1f h LYS 12 N -1.23 0.89 0.53 2.65 1.79 0.11 0.44 116.57 121.75 1k1f h LYS 12 Ca -0.09 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.30 1k1f h LYS 12 Cb 0.71 -0.20 0.01 0.00 -1.58 0.00 0.00 32.23 31.17 1k1f h LYS 12 CO 0.15 0.59 -0.26 0.00 -1.08 0.00 0.00 179.45 178.86 1k1f h ALA 13 N 1.54 -0.72 -0.55 3.86 0.00 -1.51 -3.32 119.26 118.57 1k1f h ALA 13 Ca 0.39 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1k1f h ALA 13 Cb 0.32 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1k1f h ALA 13 CO -0.16 -0.72 -0.09 0.37 0.00 0.00 0.00 179.25 178.65 1k1f h GLN 14 N -1.09 1.03 -4.56 0.00 4.15 -0.33 -3.43 115.11 110.89 1k1f h GLN 14 Ca -0.07 -0.38 -0.54 0.00 0.77 0.00 0.00 58.65 58.43 1k1f h GLN 14 Cb 0.61 -0.07 -0.34 0.00 0.21 0.00 0.00 27.48 27.89 1k1f h GLN 14 CO 0.12 1.07 -0.82 -0.06 -1.93 0.00 0.00 178.83 177.21 1k1f s PHE 15 N -4.87 1.62 -0.26 3.99 0.40 0.15 -5.05 117.98 113.97 1k1f s PHE 15 Ca -0.12 -0.68 0.03 0.00 -0.60 0.00 0.00 56.93 55.56 1k1f s PHE 15 Cb 0.13 -1.20 -0.18 0.00 0.51 0.00 0.00 43.02 42.28 1k1f s PHE 15 CO 0.86 -0.37 -0.21 -0.35 0.70 0.00 0.00 175.22 175.85 1k1f n PRO 16 N 4.11 0.65 0.00 0.24 -0.04 -1.25 -3.77 135.00 134.94 1k1f n PRO 16 Ca -0.20 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1k1f n PRO 16 Cb 0.51 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1k1f n PRO 16 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1k1f n ASP 17 N -3.22 0.00 -4.08 3.54 8.00 -1.26 -4.55 116.55 114.97 1k1f n ASP 17 Ca -0.45 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 54.82 1k1f n ASP 17 Cb 1.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.95 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 -1.71 1.64 -0.09 -2.24 0.01 -1.26 -5.10 113.70 104.96 1k1f s SER 18 Ca 0.00 -0.26 -0.14 0.00 1.31 0.00 0.00 55.95 56.86 1k1f s SER 18 Cb 0.00 -0.33 -0.05 0.00 0.21 0.00 0.00 66.02 65.85 1k1f s SER 18 CO 0.00 0.14 0.34 -1.61 0.41 0.00 0.00 173.24 172.51 1k1f s GLU 19 N -0.08 4.02 0.88 12.44 0.41 -1.26 -4.68 118.70 130.43 1k1f s GLU 19 Ca 0.01 0.22 -0.12 0.00 -0.41 0.00 0.00 54.97 54.67 1k1f s GLU 19 Cb -0.08 -3.32 0.10 0.00 -1.78 0.00 0.00 34.13 29.05 1k1f s GLU 19 CO 0.00 0.48 0.99 -2.30 -0.49 0.00 0.00 175.26 173.94 1k1f n PRO 20 N 2.70 -0.21 -2.63 0.39 -0.02 -1.26 -4.96 135.00 129.01 1k1f n PRO 20 Ca -0.13 0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 60.93 1k1f n PRO 20 Cb 0.52 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1k1f n PRO 20 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1k1f s PRO 21 N -4.20 4.46 -0.10 0.52 0.02 -1.26 -5.20 135.00 129.23 1k1f s PRO 21 Ca 0.67 1.49 -0.13 0.00 0.02 0.00 0.00 61.00 63.04 1k1f s PRO 21 Cb -0.25 -3.50 -0.05 0.00 0.02 0.00 0.00 34.50 30.72 1k1f s PRO 21 CO 0.58 -0.25 0.31 1.03 -0.33 0.00 0.00 177.00 178.34 1k1f s ARG 22 N 1.63 4.01 -0.18 5.54 0.52 -1.26 -5.11 118.95 124.10 1k1f s ARG 22 Ca 0.52 0.16 -0.04 0.00 -0.52 0.00 0.00 55.73 55.85 1k1f s ARG 22 Cb -0.21 -3.32 0.06 0.00 0.52 0.00 0.00 34.95 31.99 1k1f s ARG 22 CO 0.23 0.47 0.07 -1.21 0.02 0.00 0.00 175.30 174.88 1k1f s GLU 24 N -0.25 0.25 -0.54 3.54 0.41 -1.26 -5.24 118.70 115.61 1k1f s GLU 24 Ca 0.19 -0.18 0.06 0.00 -0.41 0.00 0.00 54.97 54.63 1k1f s GLU 24 Cb -0.14 -1.90 0.23 0.00 -1.78 0.00 0.00 34.13 30.55 1k1f s GLU 24 CO 0.07 -0.66 0.60 1.28 -0.49 0.00 0.00 175.26 176.07 1k1f n LEU 25 N 5.21 2.01 -1.16 1.80 4.77 -1.26 -4.56 117.00 123.80 1k1f n LEU 25 Ca -0.08 -5.05 0.12 0.00 -0.03 0.00 0.00 56.01 50.97 1k1f n LEU 25 Cb 0.48 -0.10 0.24 0.00 -2.33 0.00 0.00 43.42 41.72 1k1f n LEU 25 CO 0.11 2.01 0.72 0.54 -1.33 0.00 0.00 177.39 179.44 1k1f n ARG 26 N 1.35 2.51 -3.74 3.23 1.74 -1.26 -4.99 116.66 115.51 1k1f n ARG 26 Ca 0.26 -2.29 0.00 0.00 -0.77 0.00 0.00 57.85 55.05 1k1f n ARG 26 Cb 0.45 -1.52 -0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1k1f n ARG 26 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1k1f s SER 27 N -1.42 -0.06 0.41 0.55 1.04 -1.26 -5.01 113.70 107.95 1k1f s SER 27 Ca 0.40 -0.25 0.08 0.00 0.48 0.00 0.00 55.95 56.67 1k1f s SER 27 Cb 0.23 0.25 0.88 0.00 0.10 0.00 0.00 66.02 67.48 1k1f s SER 27 CO 0.32 -0.47 2.04 0.58 0.98 0.00 0.00 173.24 176.69 1k1f h VAL 28 N 2.00 1.06 -0.35 5.02 2.07 -2.00 -2.72 116.25 121.32 1k1f h VAL 28 Ca -0.28 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 66.91 1k1f h VAL 28 Cb 1.21 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1k1f h VAL 28 CO 0.29 0.10 -0.35 1.23 0.02 0.00 0.00 177.57 178.86 1k1f h GLY 29 N 0.54 0.94 1.48 2.17 0.00 -1.99 -1.44 103.07 104.77 1k1f h GLY 29 Ca 0.19 -0.96 -0.03 0.00 0.00 0.00 0.00 47.33 46.52 1k1f h GLY 29 CO -0.05 0.87 0.14 -0.55 0.00 0.00 0.00 176.54 176.95 1k1f h ASP 30 N 0.66 0.61 -0.12 0.19 3.32 -1.78 0.00 116.42 119.30 1k1f h ASP 30 Ca 0.06 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1k1f h ASP 30 Cb 0.94 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1k1f h ASP 30 CO 0.09 0.59 -0.22 0.40 -1.72 0.00 0.00 179.24 178.38 1k1f h ILE 31 N 0.66 1.38 -0.71 0.35 2.04 -1.39 -2.05 117.51 117.79 1k1f h ILE 31 Ca 0.15 -1.47 -0.02 0.00 1.00 0.00 0.00 64.86 64.52 1k1f h ILE 31 Cb 0.20 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1k1f h ILE 31 CO -0.01 0.43 0.37 -0.33 0.00 0.00 0.00 178.15 178.61 1k1f h GLU 32 N -0.06 1.00 0.13 2.37 5.08 -0.99 0.16 114.58 122.27 1k1f h GLU 32 Ca 0.01 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1k1f h GLU 32 Cb 0.80 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1k1f h GLU 32 CO 0.05 0.76 -0.06 1.96 -1.00 0.00 0.00 179.01 180.72 1k1f h GLN 33 N 0.98 -0.17 -0.91 2.33 4.20 -1.01 0.35 115.11 120.88 1k1f h GLN 33 Ca 0.25 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.98 1k1f h GLN 33 Cb 0.07 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1k1f h GLN 33 CO -0.04 -0.04 0.60 0.93 -0.67 0.00 0.00 178.83 179.61 1k1f h GLU 34 N -0.25 1.20 -0.28 1.46 4.39 -1.21 0.36 114.58 120.24 1k1f h GLU 34 Ca -0.02 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1k1f h GLU 34 Cb 0.20 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1k1f h GLU 34 CO 0.03 0.79 0.12 1.25 -1.16 0.00 0.00 179.01 180.04 1k1f h LEU 35 N 1.23 0.39 -0.51 1.33 5.85 -0.26 0.45 115.31 123.79 1k1f h LEU 35 Ca 0.33 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1k1f h LEU 35 Cb -0.14 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1k1f h LEU 35 CO -0.07 0.44 0.26 -0.08 -0.34 0.00 0.00 178.44 178.64 1k1f h GLU 36 N 0.31 0.49 -0.45 1.25 4.81 0.77 -1.06 114.58 120.69 1k1f h GLU 36 Ca 0.09 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1k1f h GLU 36 Cb 0.17 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1k1f h GLU 36 CO -0.01 0.32 0.28 0.00 -0.73 0.00 0.00 179.01 178.88 1k1f h ARG 37 N 0.50 0.56 0.67 1.92 3.08 0.08 -2.10 114.38 119.10 1k1f h ARG 37 Ca 0.22 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1k1f h ARG 37 Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1k1f h ARG 37 CO -0.16 0.37 -0.45 0.00 -1.07 0.00 0.00 179.97 178.66 1k1f h ALA 38 N 1.19 -1.22 -0.76 0.04 0.00 -0.31 -1.28 119.26 116.91 1k1f h ALA 38 Ca 0.17 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 55.04 1k1f h ALA 38 Cb -0.03 0.59 -0.13 0.00 0.00 0.00 0.00 17.79 18.22 1k1f h ALA 38 CO -0.06 -1.19 0.05 0.87 0.00 0.00 0.00 179.25 178.92 1k1f h LYS 39 N -1.06 0.13 -0.51 0.00 1.79 -1.17 0.17 116.57 115.91 1k1f h LYS 39 Ca -0.09 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1k1f h LYS 39 Cb 0.86 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.45 1k1f h LYS 39 CO 0.07 0.08 0.29 0.00 -1.08 0.00 0.00 179.45 178.81 1k1f h ALA 40 N 1.70 0.65 -0.34 3.86 0.00 -1.18 -1.29 119.26 122.66 1k1f h ALA 40 Ca 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.19 1k1f h ALA 40 Cb 0.76 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1k1f h ALA 40 CO -0.64 -0.03 -0.35 0.77 0.00 0.00 0.00 179.25 179.00 1k1f h SER 41 N 0.57 0.90 -0.77 0.00 0.02 0.11 -2.31 113.55 112.08 1k1f h SER 41 Ca 0.21 -0.47 0.09 0.00 -0.84 0.00 0.00 61.79 60.78 1k1f h SER 41 Cb 0.06 -0.25 -0.07 0.00 0.14 0.00 0.00 62.40 62.28 1k1f h SER 41 CO -0.11 1.18 0.41 0.40 -1.14 0.00 0.00 176.83 177.57 1k1f h ILE 42 N 0.63 0.88 -0.36 3.27 2.04 -0.39 0.72 117.51 124.30 1k1f h ILE 42 Ca 0.05 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1k1f h ILE 42 Cb 0.93 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1k1f h ILE 42 CO 0.09 0.13 0.13 -0.09 0.00 0.00 0.00 178.15 178.41 1k1f h ARG 43 N 0.70 0.54 -0.28 2.37 2.43 -1.06 -1.41 114.38 117.67 1k1f h ARG 43 Ca 0.37 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1k1f h ARG 43 Cb 0.36 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1k1f h ARG 43 CO -0.26 0.54 0.02 -0.09 -1.51 0.00 0.00 179.97 178.67 1k1f h ARG 44 N 0.43 0.49 0.16 0.20 9.65 -0.99 -2.90 114.38 121.42 1k1f h ARG 44 Ca 0.12 -0.15 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1k1f h ARG 44 Cb 0.21 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 1k1f h ARG 44 CO -0.01 0.63 -0.26 -0.07 2.80 0.00 0.00 179.97 183.06 1k1f h LEU 45 N 0.29 -0.72 -1.49 3.80 -0.00 -0.75 -0.93 115.31 115.51 1k1f h LEU 45 Ca 0.08 0.08 0.10 0.00 -0.00 0.00 0.00 57.88 58.14 1k1f h LEU 45 Cb 0.39 0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 41.27 1k1f h LEU 45 CO 0.01 -0.35 0.46 -0.33 -0.00 0.00 0.00 178.44 178.23 1k1f h GLU 46 N -0.48 0.55 -0.33 1.13 4.39 -1.30 0.27 114.58 118.80 1k1f h GLU 46 Ca 0.02 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 1k1f h GLU 46 Cb 0.49 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1k1f h GLU 46 CO -0.12 0.37 -0.24 0.37 -1.16 0.00 0.00 179.01 178.23 1k1f h GLN 47 N 0.57 0.66 -0.05 2.33 4.15 -1.19 -1.69 115.11 119.88 1k1f h GLN 47 Ca 0.32 -0.26 -0.13 0.00 0.77 0.00 0.00 58.65 59.35 1k1f h GLN 47 Cb 0.51 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.17 1k1f h GLN 47 CO -0.11 0.84 -0.49 0.93 -1.93 0.00 0.00 178.83 178.07 1k1f h GLU 48 N 0.57 0.42 0.17 1.69 5.08 0.69 -2.59 114.58 120.61 1k1f h GLU 48 Ca 0.08 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1k1f h GLU 48 Cb 0.71 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1k1f h GLU 48 CO 0.05 1.04 -0.08 0.28 -1.00 0.00 0.00 179.01 179.30 1k1f h VAL 49 N -0.05 0.85 -0.69 3.13 2.07 -0.62 -1.88 116.25 119.06 1k1f h VAL 49 Ca -0.05 -0.08 0.15 0.00 0.82 0.00 0.00 66.70 67.55 1k1f h VAL 49 Cb 1.17 0.90 -0.11 0.00 -1.52 0.00 0.00 31.29 31.73 1k1f h VAL 49 CO 0.10 0.02 0.06 0.78 0.02 0.00 0.00 177.57 178.54 1k1f h ASN 50 N -0.26 -0.21 -0.71 0.57 -0.26 -1.36 0.47 115.58 113.82 1k1f h ASN 50 Ca -0.02 0.16 -0.04 0.00 -0.56 0.00 0.00 56.30 55.84 1k1f h ASN 50 Cb 0.20 0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.70 1k1f h ASN 50 CO 0.04 -0.11 0.31 1.56 -1.06 0.00 0.00 177.43 178.16 1k1f h GLN 51 N 0.16 1.06 -0.45 0.81 4.20 -1.25 0.33 115.11 119.97 1k1f h GLN 51 Ca 0.38 -0.17 -0.15 0.00 0.06 0.00 0.00 58.65 58.77 1k1f h GLN 51 Cb 0.64 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1k1f h GLN 51 CO -0.56 0.85 -0.29 0.93 -0.67 0.00 0.00 178.83 179.09 1k1f h GLU 52 N 1.04 0.98 -0.42 1.46 4.39 -0.07 -0.95 114.58 121.02 1k1f h GLU 52 Ca 0.25 -0.46 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 1k1f h GLU 52 Cb 0.17 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1k1f h GLU 52 CO -0.02 1.13 0.04 0.00 -1.16 0.00 0.00 179.01 179.00 1k1f h ARG 53 N 0.83 0.66 0.02 2.33 3.08 0.25 -2.84 114.38 118.71 1k1f h ARG 53 Ca 0.09 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1k1f h ARG 53 Cb 0.88 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1k1f h ARG 53 CO 0.08 0.65 -0.01 0.35 -1.07 0.00 0.00 179.97 179.97 1k1f h PHE 54 N 0.63 -0.02 0.00 3.04 3.57 -0.61 -2.19 116.94 121.36 1k1f h PHE 54 Ca 0.13 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1k1f h PHE 54 Cb 0.34 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1k1f h PHE 54 CO 0.02 0.32 0.00 2.89 -2.23 0.00 0.00 178.31 179.30 1k1f n ARG 55 N -4.94 0.23 0.00 1.11 1.85 -0.39 -1.72 116.66 112.80 1k1f n ARG 55 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1k1f n ARG 55 Cb 0.19 -1.38 0.00 0.00 -1.05 0.00 0.00 32.46 30.21 1k1f n ARG 55 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1k1f n ILE 57 N 1.67 0.00 0.47 8.89 2.08 -0.83 -0.11 119.36 131.54 1k1f n ILE 57 Ca 0.00 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 63.13 1k1f n ILE 57 Cb 0.12 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 38.92 1k1f n ILE 57 CO 0.00 0.00 0.00 0.22 0.56 0.00 0.00 176.55 177.33 1k1f h TYR 58 N 0.00 -1.12 -0.97 1.39 3.20 -1.62 -2.16 116.97 115.69 1k1f h TYR 58 Ca 0.00 -0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.03 1k1f h TYR 58 Cb 0.00 0.37 -0.11 0.00 1.54 0.00 0.00 36.73 38.54 1k1f h TYR 58 CO 0.00 -0.69 0.57 -0.07 -1.64 0.00 0.00 178.16 176.32 1k1f h LEU 59 N -1.20 0.71 -1.12 2.82 3.38 -0.78 0.31 115.31 119.43 1k1f h LEU 59 Ca -0.12 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1k1f h LEU 59 Cb 0.92 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1k1f h LEU 59 CO 0.19 0.24 -0.39 -0.61 0.09 0.00 0.00 178.44 177.96 1k1f h GLN 60 N 0.71 0.08 0.04 1.13 5.75 -1.76 -0.11 115.11 120.96 1k1f h GLN 60 Ca 0.56 -0.04 -0.19 0.00 -0.15 0.00 0.00 58.65 58.84 1k1f h GLN 60 Cb 0.88 -0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.44 1k1f h GLN 60 CO -0.39 0.47 -0.77 1.15 -2.65 0.00 0.00 178.83 176.64 1k1f h THR 61 N 0.07 1.41 0.64 2.39 2.02 -0.38 -2.76 112.91 116.30 1k1f h THR 61 Ca 0.01 -2.23 -0.02 0.00 0.77 0.00 0.00 66.41 64.93 1k1f h THR 61 Cb 0.73 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.84 1k1f h THR 61 CO 0.05 0.65 -0.48 -0.07 0.37 0.00 0.00 175.52 176.05 1k1f h LEU 62 N -0.06 -1.26 0.00 2.58 3.38 -0.81 -3.20 115.31 115.94 1k1f h LEU 62 Ca -0.11 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1k1f h LEU 62 Cb 1.49 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.63 1k1f h LEU 62 CO 0.15 -0.69 0.00 -0.11 0.09 0.00 0.00 178.44 177.88 1k1f n LEU 63 N -5.58 0.00 0.20 1.67 7.94 -0.07 -1.32 117.00 119.83 1k1f n LEU 63 Ca -0.13 0.75 0.00 0.00 -1.11 0.00 0.00 56.01 55.52 1k1f n LEU 63 Cb 0.47 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 44.17 1k1f n LEU 63 CO 0.31 -0.25 0.69 0.00 -1.11 0.00 0.00 177.39 177.03 1k1f n ALA 64 N -1.92 0.00 0.40 1.96 0.00 -1.04 -0.99 120.51 118.92 1k1f n ALA 64 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1k1f n ALA 64 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1k1f n ALA 64 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1k1f n LYS 65 N -1.77 1.31 -0.65 0.00 2.85 -0.44 -4.56 118.16 114.89 1k1f n LYS 65 Ca 0.00 -0.06 0.05 0.00 -1.05 0.00 0.00 58.31 57.25 1k1f n LYS 65 Cb 0.69 -1.29 0.11 0.00 -0.65 0.00 0.00 35.03 33.89 1k1f n LYS 65 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1k1f n GLU 66 N -1.66 0.84 0.00 -1.58 4.71 -0.17 -5.15 120.64 117.64 1k1f n GLU 66 Ca 0.00 -2.38 0.00 0.00 -0.01 0.00 0.00 57.16 54.77 1k1f n GLU 66 Cb 0.31 -1.00 0.00 0.00 -1.01 0.00 0.00 31.44 29.74 1k1f n GLU 66 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85