#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f44 n GLN 3 N 0.00 0.04 -0.10 1.96 1.13 -1.26 0.98 117.38 120.12 2f44 n GLN 3 Ca 0.00 0.39 0.08 0.00 -1.94 0.00 0.00 57.00 55.53 2f44 n GLN 3 Cb 0.00 -2.00 0.13 0.00 0.11 0.00 0.00 30.24 28.48 2f44 n GLN 3 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2f44 n LEU 4 N -1.62 2.79 -4.72 1.08 4.77 -1.26 -4.64 117.00 113.41 2f44 n LEU 4 Ca -0.00 -1.39 -0.42 0.00 -0.03 0.00 0.00 56.01 54.17 2f44 n LEU 4 Cb 0.40 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2f44 n LEU 4 CO 0.02 0.59 0.82 0.26 -1.33 0.00 0.00 177.39 177.75 2f44 s TRP 5 N -1.24 3.53 0.77 -1.77 0.52 0.28 -4.99 118.94 116.03 2f44 s TRP 5 Ca 0.26 1.47 -0.02 0.00 0.02 0.00 0.00 56.10 57.82 2f44 s TRP 5 Cb 0.16 -3.32 0.15 0.00 -1.15 0.00 0.00 33.47 29.31 2f44 s TRP 5 CO 0.22 -0.83 1.06 -1.54 0.02 0.00 0.00 176.95 175.88 2f44 s SER 6 N 0.67 4.04 0.31 2.95 1.04 -1.26 -2.01 113.70 119.43 2f44 s SER 6 Ca 0.54 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.60 2f44 s SER 6 Cb -0.28 0.16 0.50 0.00 0.10 0.00 0.00 66.02 66.50 2f44 s SER 6 CO 0.31 -2.08 1.80 0.07 0.98 0.00 0.00 173.24 174.32 2f44 h LYS 7 N -0.73 0.53 -0.25 4.02 2.10 -1.92 -2.30 116.57 118.02 2f44 h LYS 7 Ca -0.36 -0.15 -0.07 0.00 -2.00 0.00 0.00 60.65 58.08 2f44 h LYS 7 Cb 1.26 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2f44 h LYS 7 CO 0.37 0.63 -0.14 0.74 -2.00 0.00 0.00 179.45 179.05 2f44 h PHE 8 N 0.49 0.45 -0.39 0.07 0.04 -1.94 0.01 116.94 115.68 2f44 h PHE 8 Ca 0.09 -0.07 -0.15 0.00 2.80 0.00 0.00 57.97 60.64 2f44 h PHE 8 Cb 0.47 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 2f44 h PHE 8 CO 0.02 0.55 -0.35 -0.44 -0.60 0.00 0.00 178.31 177.49 2f44 h ASP 9 N 0.39 0.99 -0.54 2.17 3.32 -1.82 -0.69 116.42 120.24 2f44 h ASP 9 Ca 0.07 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 2f44 h ASP 9 Cb 0.48 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2f44 h ASP 9 CO 0.03 1.24 0.25 0.58 -1.72 0.00 0.00 179.24 179.62 2f44 h VAL 10 N 0.75 1.20 -0.09 -1.35 2.07 -0.96 0.25 116.25 118.11 2f44 h VAL 10 Ca 0.07 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.04 2f44 h VAL 10 Cb 0.94 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2f44 h VAL 10 CO 0.09 0.23 -0.09 1.23 0.02 0.00 0.00 177.57 179.05 2f44 h GLY 11 N 0.72 -0.01 1.02 2.17 0.00 -0.71 0.21 103.07 106.46 2f44 h GLY 11 Ca 0.18 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 2f44 h GLY 11 CO -0.02 -0.10 0.58 -0.55 0.00 0.00 0.00 176.54 176.45 2f44 h ASP 12 N -0.11 1.12 -0.76 0.19 3.32 -0.81 -2.04 116.42 117.35 2f44 h ASP 12 Ca 0.07 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.07 2f44 h ASP 12 Cb 0.20 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 2f44 h ASP 12 CO -0.16 0.85 0.49 -0.25 -1.72 0.00 0.00 179.24 178.46 2f44 h TRP 13 N 1.30 0.93 0.00 4.55 7.01 -0.28 -0.71 115.95 128.74 2f44 h TRP 13 Ca 0.34 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.36 2f44 h TRP 13 Cb -0.07 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 26.67 2f44 h TRP 13 CO 0.00 0.56 -0.01 -0.07 -2.79 0.00 0.00 178.44 176.13 2f44 h LEU 14 N 0.98 0.00 0.14 0.65 3.38 -0.24 -1.77 115.31 118.45 2f44 h LEU 14 Ca 0.29 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.95 2f44 h LEU 14 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2f44 h LEU 14 CO -0.08 0.01 -1.54 -0.33 0.09 0.00 0.00 178.44 176.59 2f44 h GLU 15 N 0.00 0.30 0.00 1.13 5.08 -0.96 1.12 114.58 121.25 2f44 h GLU 15 Ca -0.00 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2f44 h GLU 15 Cb 0.12 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2f44 h GLU 15 CO 0.00 1.25 0.17 0.66 -1.00 0.00 0.00 179.01 180.09 2f44 h SER 16 N -0.14 0.00 -0.19 1.42 4.64 -0.36 0.59 113.55 119.51 2f44 h SER 16 Ca -0.32 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 2f44 h SER 16 Cb 1.89 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.96 2f44 h SER 16 CO 0.11 0.00 -0.04 2.30 -0.87 0.00 0.00 176.83 178.33 2f44 n ILE 17 N -2.75 2.23 -3.62 0.95 -5.35 -0.98 -4.98 119.36 104.85 2f44 n ILE 17 Ca -0.02 -2.23 -0.24 0.00 -0.27 0.00 0.00 62.75 59.99 2f44 n ILE 17 Cb 0.22 -0.26 0.07 0.00 -1.74 0.00 0.00 39.64 37.93 2f44 n ILE 17 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2f44 n HIS 18 N -0.92 -2.74 -2.15 4.28 8.25 0.21 -4.91 115.22 117.23 2f44 n HIS 18 Ca 0.22 1.00 0.02 0.00 -0.26 0.00 0.00 57.72 58.69 2f44 n HIS 18 Cb 0.84 -4.91 0.10 0.00 1.12 0.00 0.00 29.99 27.14 2f44 n HIS 18 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2f44 n LEU 19 N -4.88 2.06 0.22 2.41 4.77 0.38 -4.88 117.00 117.09 2f44 n LEU 19 Ca -0.02 -3.08 0.18 0.00 -0.03 0.00 0.00 56.01 53.06 2f44 n LEU 19 Cb 0.57 -0.18 0.79 0.00 -2.33 0.00 0.00 43.42 42.27 2f44 n LEU 19 CO 0.66 1.04 1.15 1.23 -1.33 0.00 0.00 177.39 180.15 2f44 h GLY 20 N 1.27 0.00 1.32 -0.72 0.00 -1.73 -1.06 103.07 102.15 2f44 h GLY 20 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2f44 h GLY 20 CO 0.13 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 174.83 2f44 n GLU 21 N -3.32 0.30 -0.00 4.80 0.00 -1.26 -2.14 120.64 119.01 2f44 n GLU 21 Ca 0.02 0.09 0.05 0.00 0.00 0.00 0.00 57.16 57.33 2f44 n GLU 21 Cb 0.47 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.35 2f44 n GLU 21 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2f44 n HIS 22 N -1.16 0.00 0.02 -1.84 8.25 -0.40 -4.67 115.22 115.42 2f44 n HIS 22 Ca 0.08 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.56 2f44 n HIS 22 Cb 0.08 -0.03 0.38 0.00 1.12 0.00 0.00 29.99 31.53 2f44 n HIS 22 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2f44 h ARG 23 N 0.00 0.48 0.70 -0.41 0.11 -1.57 -2.17 114.38 111.53 2f44 h ARG 23 Ca 0.00 -0.07 -0.03 0.00 0.10 0.00 0.00 59.98 59.98 2f44 h ARG 23 Cb 0.30 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.29 2f44 h ARG 23 CO 0.00 0.43 -0.37 0.22 0.10 0.00 0.00 179.97 180.34 2f44 h ASP 24 N 0.48 -0.91 -0.59 0.08 -0.00 -1.83 -0.39 116.42 113.27 2f44 h ASP 24 Ca 0.12 0.04 0.04 0.00 -0.00 0.00 0.00 57.03 57.23 2f44 h ASP 24 Cb 0.14 0.25 -0.05 0.00 -0.00 0.00 0.00 39.33 39.68 2f44 h ASP 24 CO -0.01 -0.61 0.33 -0.09 -0.00 0.00 0.00 179.24 178.86 2f44 h ARG 25 N -0.99 0.62 -0.15 0.28 9.65 -1.86 0.58 114.38 122.51 2f44 h ARG 25 Ca -0.09 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.74 2f44 h ARG 25 Cb 0.78 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 2f44 h ARG 25 CO 0.13 0.41 0.03 0.74 2.80 0.00 0.00 179.97 184.08 2f44 h PHE 26 N 0.64 0.20 0.00 2.20 -1.00 -1.28 -1.35 116.94 116.35 2f44 h PHE 26 Ca 0.25 -0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.87 2f44 h PHE 26 Cb 0.11 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 2f44 h PHE 26 CO -0.08 0.19 -0.82 0.93 -1.61 0.00 0.00 178.31 176.92 2f44 h GLU 27 N 0.20 0.00 -0.12 1.51 5.08 0.39 0.18 114.58 121.83 2f44 h GLU 27 Ca 0.05 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 2f44 h GLU 27 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2f44 h GLU 27 CO -0.00 0.72 -0.62 0.22 -1.00 0.00 0.00 179.01 178.32 2f44 h ASP 28 N 0.00 0.47 -0.10 1.42 3.58 -0.09 -2.33 116.42 119.37 2f44 h ASP 28 Ca -0.03 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2f44 h ASP 28 Cb 1.60 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.51 2f44 h ASP 28 CO 0.09 0.98 0.00 1.41 -2.88 0.00 0.00 179.24 178.84 2f44 n HIS 29 N -3.90 0.13 -3.98 0.28 8.25 -0.59 -4.91 115.22 110.51 2f44 n HIS 29 Ca -0.03 -0.06 -0.26 0.00 -0.26 0.00 0.00 57.72 57.11 2f44 n HIS 29 Cb 0.64 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.72 2f44 n HIS 29 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2f44 n GLU 30 N -0.21 -3.13 -2.46 -0.41 1.02 -0.88 -4.90 120.64 109.66 2f44 n GLU 30 Ca 0.12 0.38 -0.42 0.00 -0.02 0.00 0.00 57.16 57.22 2f44 n GLU 30 Cb 0.17 -4.46 -0.03 0.00 -0.02 0.00 0.00 31.44 27.10 2f44 n GLU 30 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2f44 s ILE 31 N -3.99 4.27 0.31 -3.67 -1.09 0.03 -4.93 121.20 112.13 2f44 s ILE 31 Ca 0.00 1.59 0.08 0.00 -2.23 0.00 0.00 60.65 60.09 2f44 s ILE 31 Cb -0.00 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 2f44 s ILE 31 CO 0.90 -0.01 0.13 -1.61 -1.23 0.00 0.00 174.94 173.12 2f44 s GLU 32 N 2.33 2.46 0.31 2.79 2.02 -1.26 -3.96 118.70 123.37 2f44 s GLU 32 Ca 0.56 -1.44 0.07 0.00 0.02 0.00 0.00 54.97 54.18 2f44 s GLU 32 Cb -0.24 -2.25 0.82 0.00 0.10 0.00 0.00 34.13 32.56 2f44 s GLU 32 CO 0.21 0.19 1.71 0.78 0.02 0.00 0.00 175.26 178.17 2f44 h GLY 33 N 1.58 1.73 2.00 -1.39 0.00 -1.56 0.97 103.07 106.40 2f44 h GLY 33 Ca -0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 2f44 h GLY 33 CO 0.62 -0.27 -0.09 0.00 0.00 0.00 0.00 176.54 176.80 2f44 h ALA 34 N 1.73 1.39 0.01 3.60 0.00 -1.78 -2.78 119.26 121.43 2f44 h ALA 34 Ca 0.61 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 55.23 2f44 h ALA 34 Cb 1.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2f44 h ALA 34 CO -0.51 0.11 -0.91 0.45 0.00 0.00 0.00 179.25 178.38 2f44 h HIS 35 N 0.00 0.39 -0.85 0.00 3.86 -1.19 -3.37 115.15 113.98 2f44 h HIS 35 Ca -0.00 -0.22 0.15 0.00 -1.16 0.00 0.00 60.37 59.14 2f44 h HIS 35 Cb 0.22 -0.04 -0.15 0.00 1.06 0.00 0.00 27.41 28.50 2f44 h HIS 35 CO 0.00 1.04 -0.29 -0.07 0.86 0.00 0.00 177.93 179.47 2f44 h LEU 36 N 0.14 -1.07 -2.48 2.43 3.38 -1.44 -0.52 115.31 115.74 2f44 h LEU 36 Ca -0.06 0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2f44 h LEU 36 Cb 1.55 0.61 -0.00 0.00 0.09 0.00 0.00 40.66 42.91 2f44 h LEU 36 CO 0.15 -0.29 -0.01 -0.65 0.09 0.00 0.00 178.44 177.72 2f44 h PRO 37 N -0.04 0.00 -0.00 1.13 0.11 -1.77 -2.77 132.00 128.66 2f44 h PRO 37 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 2f44 h PRO 37 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 2f44 h PRO 37 CO -0.88 0.01 -0.72 0.00 -0.21 0.00 0.00 178.00 176.20 2f44 n ALA 38 N -2.29 4.11 -1.70 -0.75 0.00 -0.23 -4.96 120.51 114.69 2f44 n ALA 38 Ca -0.03 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 2f44 n ALA 38 Cb 0.10 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 2f44 n ALA 38 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2f44 n LEU 39 N -1.14 3.60 -4.85 0.00 4.77 -1.04 -4.99 117.00 113.36 2f44 n LEU 39 Ca 0.06 1.19 -0.22 0.00 -0.03 0.00 0.00 56.01 57.01 2f44 n LEU 39 Cb 0.36 -1.49 -0.04 0.00 -2.33 0.00 0.00 43.42 39.92 2f44 n LEU 39 CO 0.37 -0.37 -0.03 0.42 -1.33 0.00 0.00 177.39 176.44 2f44 s THR 40 N -0.71 2.63 0.37 -5.08 -4.23 -1.26 -4.96 115.64 102.41 2f44 s THR 40 Ca 0.60 -1.41 0.07 0.00 -1.18 0.00 0.00 61.69 59.76 2f44 s THR 40 Cb -0.58 -3.01 0.30 0.00 1.34 0.00 0.00 72.50 70.56 2f44 s THR 40 CO 0.58 -0.01 1.95 0.50 -0.54 0.00 0.00 174.62 177.10 2f44 h LYS 41 N 1.12 0.68 -0.23 3.99 3.64 -1.99 0.48 116.57 124.26 2f44 h LYS 41 Ca -0.42 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.79 2f44 h LYS 41 Cb 1.26 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2f44 h LYS 41 CO 0.60 0.45 -0.40 0.93 -2.27 0.00 0.00 179.45 178.76 2f44 h GLU 42 N 0.70 0.53 -0.37 1.90 3.07 -1.99 -1.90 114.58 116.53 2f44 h GLU 42 Ca 0.32 -0.27 -0.14 0.00 -0.50 0.00 0.00 59.36 58.78 2f44 h GLU 42 Cb 0.34 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2f44 h GLU 42 CO -0.11 0.84 -0.31 -0.44 -1.40 0.00 0.00 179.01 177.59 2f44 h ASP 43 N 0.44 0.91 -0.57 1.42 3.32 -1.44 -1.98 116.42 118.53 2f44 h ASP 43 Ca 0.04 -0.45 0.01 0.00 0.02 0.00 0.00 57.03 56.65 2f44 h ASP 43 Cb 0.89 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2f44 h ASP 43 CO 0.08 1.17 0.36 -0.26 -1.72 0.00 0.00 179.24 178.87 2f44 h PHE 44 N 0.66 0.69 -0.93 4.55 0.04 -0.83 0.39 116.94 121.50 2f44 h PHE 44 Ca 0.06 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2f44 h PHE 44 Cb 0.89 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.77 2f44 h PHE 44 CO 0.06 0.42 0.56 0.28 -0.60 0.00 0.00 178.31 179.03 2f44 h VAL 45 N 0.73 1.26 -0.29 -0.55 2.07 -1.25 0.23 116.25 118.45 2f44 h VAL 45 Ca 0.22 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 2f44 h VAL 45 Cb -0.05 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.66 2f44 h VAL 45 CO -0.07 0.27 -0.20 -0.08 0.02 0.00 0.00 177.57 177.51 2f44 h GLU 46 N 1.29 0.53 0.00 1.57 4.81 -0.51 -2.08 114.58 120.19 2f44 h GLU 46 Ca 0.33 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2f44 h GLU 46 Cb -0.05 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2f44 h GLU 46 CO -0.06 0.70 0.00 1.28 -0.73 0.00 0.00 179.01 180.20 2f44 n LEU 47 N -4.15 0.00 0.00 1.64 4.77 0.13 -4.87 117.00 114.52 2f44 n LEU 47 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2f44 n LEU 47 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2f44 n LEU 47 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2f44 n GLY 48 N 0.85 0.66 3.35 -0.72 0.00 -0.67 -4.65 105.19 104.00 2f44 n GLY 48 Ca 0.17 -0.12 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 2f44 n GLY 48 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2f44 n VAL 49 N -2.65 4.55 0.64 1.61 0.31 0.69 -4.77 118.33 118.71 2f44 n VAL 49 Ca 0.00 -5.30 0.12 0.00 -0.01 0.00 0.00 64.34 59.15 2f44 n VAL 49 Cb 0.00 -2.55 0.17 0.00 -0.91 0.00 0.00 33.84 30.55 2f44 n VAL 49 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2f44 n THR 50 N 2.94 0.27 -3.05 2.52 -2.24 -1.26 -4.01 114.28 109.45 2f44 n THR 50 Ca 0.26 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 2f44 n THR 50 Cb 0.39 -0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 2f44 n THR 50 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2f44 s ARG 51 N -3.14 3.95 0.27 -0.78 0.52 -1.26 -4.93 118.95 113.57 2f44 s ARG 51 Ca 0.07 0.44 -0.00 0.00 -0.52 0.00 0.00 55.73 55.71 2f44 s ARG 51 Cb 0.14 -3.72 0.55 0.00 0.52 0.00 0.00 34.95 32.44 2f44 s ARG 51 CO 0.73 -0.59 1.77 0.28 0.02 0.00 0.00 175.30 177.51 2f44 h VAL 52 N 5.54 0.74 -0.93 3.52 2.07 -2.00 -0.04 116.25 125.15 2f44 h VAL 52 Ca -0.26 -0.22 0.13 0.00 0.82 0.00 0.00 66.70 67.17 2f44 h VAL 52 Cb 1.11 0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.83 2f44 h VAL 52 CO 0.83 0.12 0.55 1.23 0.02 0.00 0.00 177.57 180.31 2f44 h GLY 53 N 0.65 1.52 1.15 2.17 0.00 -1.99 -0.51 103.07 106.06 2f44 h GLY 53 Ca 0.47 -0.35 -0.16 0.00 0.00 0.00 0.00 47.33 47.28 2f44 h GLY 53 CO -0.36 0.08 -0.41 0.45 0.00 0.00 0.00 176.54 176.30 2f44 h HIS 54 N 0.84 1.12 -0.65 5.60 3.86 -1.43 -1.02 115.15 123.47 2f44 h HIS 54 Ca 0.48 -0.35 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2f44 h HIS 54 Cb 0.55 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 2f44 h HIS 54 CO -0.04 1.18 0.42 0.00 0.86 0.00 0.00 177.93 180.35 2f44 h ARG 55 N 0.75 0.80 -0.22 2.45 3.08 -0.75 -1.20 114.38 119.29 2f44 h ARG 55 Ca 0.05 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 2f44 h ARG 55 Cb 1.01 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2f44 h ARG 55 CO 0.10 0.53 -0.03 0.93 -1.07 0.00 0.00 179.97 180.43 2f44 h GLU 56 N 0.83 0.33 -0.31 0.04 4.39 -0.85 0.37 114.58 119.38 2f44 h GLU 56 Ca 0.25 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.82 2f44 h GLU 56 Cb -0.02 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 2f44 h GLU 56 CO -0.09 0.39 -0.10 -0.91 -1.16 0.00 0.00 179.01 177.14 2f44 h ASN 57 N 0.32 0.50 0.15 1.42 2.35 -0.01 -0.38 115.58 119.94 2f44 h ASN 57 Ca 0.07 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 2f44 h ASN 57 Cb 0.27 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2f44 h ASN 57 CO 0.01 0.64 -0.07 0.40 -1.65 0.00 0.00 177.43 176.76 2f44 h ILE 58 N 0.49 0.80 -0.74 2.81 2.04 -0.58 -1.02 117.51 121.31 2f44 h ILE 58 Ca 0.09 -1.17 0.16 0.00 1.00 0.00 0.00 64.86 64.94 2f44 h ILE 58 Cb 0.47 1.37 -0.11 0.00 -0.74 0.00 0.00 36.82 37.81 2f44 h ILE 58 CO 0.03 0.22 0.20 -0.33 0.00 0.00 0.00 178.15 178.26 2f44 h GLU 59 N -0.90 0.28 0.27 2.37 5.08 -0.90 0.28 114.58 121.06 2f44 h GLU 59 Ca -0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2f44 h GLU 59 Cb 0.51 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2f44 h GLU 59 CO 0.03 0.19 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.01 2f44 h ARG 60 N 0.29 -0.34 -0.67 2.33 2.43 -1.11 -3.15 114.38 114.16 2f44 h ARG 60 Ca 0.42 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.73 2f44 h ARG 60 Cb 0.71 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 30.25 2f44 h ARG 60 CO -0.50 -0.05 0.25 0.00 -1.51 0.00 0.00 179.97 178.16 2f44 h ALA 61 N 0.01 0.89 0.00 2.80 0.00 -0.58 1.54 119.26 123.91 2f44 h ALA 61 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2f44 h ALA 61 Cb 0.45 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2f44 h ALA 61 CO 0.06 -0.20 0.03 -0.11 0.00 0.00 0.00 179.25 179.03 2f44 n LEU 62 N -5.00 0.00 0.00 0.00 7.94 0.04 -5.09 117.00 114.88 2f44 n LEU 62 Ca 0.11 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.28 2f44 n LEU 62 Cb 0.33 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 44.01 2f44 n LEU 62 CO 0.20 -0.27 0.00 0.54 -1.11 0.00 0.00 177.39 176.75