#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3n n LEU 2 N 0.00 -0.61 0.32 3.17 7.94 -1.26 -0.12 117.00 126.44 2f3n n LEU 2 Ca 0.00 1.24 0.20 0.00 -1.11 0.00 0.00 56.01 56.34 2f3n n LEU 2 Cb 0.00 -0.22 1.05 0.00 0.53 0.00 0.00 43.42 44.79 2f3n n LEU 2 CO 0.00 -1.06 1.16 0.06 -1.11 0.00 0.00 177.39 176.45 2f3n h GLN 3 N 0.00 0.00 -0.02 1.96 -0.00 -1.95 -1.14 115.11 113.96 2f3n h GLN 3 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.82 2f3n h GLN 3 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.83 2f3n h GLN 3 CO -0.68 0.00 -0.09 1.28 -0.00 0.00 0.00 178.83 179.34 2f3n n LEU 4 N -3.12 1.98 -4.75 0.06 4.77 0.83 -4.11 117.00 112.65 2f3n n LEU 4 Ca -0.02 -0.66 -0.41 0.00 -0.03 0.00 0.00 56.01 54.89 2f3n n LEU 4 Cb 0.19 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2f3n n LEU 4 CO 0.19 0.34 0.88 0.26 -1.33 0.00 0.00 177.39 177.73 2f3n s TRP 5 N -2.12 3.38 0.87 -1.77 0.51 -0.43 -4.94 118.94 114.44 2f3n s TRP 5 Ca 0.31 1.52 -0.11 0.00 -2.12 0.00 0.00 56.10 55.70 2f3n s TRP 5 Cb 0.20 -3.45 0.17 0.00 -0.81 0.00 0.00 33.47 29.58 2f3n s TRP 5 CO 0.38 -1.16 1.21 -1.54 -0.51 0.00 0.00 176.95 175.32 2f3n s SER 6 N -0.42 3.61 0.46 2.95 1.04 -1.26 -1.51 113.70 118.57 2f3n s SER 6 Ca 0.49 0.11 0.19 0.00 0.48 0.00 0.00 55.95 57.21 2f3n s SER 6 Cb -0.34 -0.29 1.13 0.00 0.10 0.00 0.00 66.02 66.62 2f3n s SER 6 CO 0.43 -2.39 2.00 0.07 0.98 0.00 0.00 173.24 174.32 2f3n h LYS 7 N -1.24 0.00 0.01 4.02 2.10 -1.92 -1.37 116.57 118.17 2f3n h LYS 7 Ca -0.42 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.01 2f3n h LYS 7 Cb 1.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2f3n h LYS 7 CO 0.41 0.19 -0.95 0.74 -2.00 0.00 0.00 179.45 177.83 2f3n h PHE 8 N 0.00 0.48 -0.57 0.07 0.04 -1.92 -2.65 116.94 112.38 2f3n h PHE 8 Ca -0.00 -0.27 -0.10 0.00 2.80 0.00 0.00 57.97 60.39 2f3n h PHE 8 Cb 0.38 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 2f3n h PHE 8 CO 0.00 1.10 -0.05 -0.44 -0.60 0.00 0.00 178.31 178.32 2f3n h ASP 9 N 0.17 1.02 -0.60 2.17 3.32 -1.76 -1.00 116.42 119.74 2f3n h ASP 9 Ca -0.07 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 56.70 2f3n h ASP 9 Cb 1.59 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.83 2f3n h ASP 9 CO 0.16 1.10 0.35 0.58 -1.72 0.00 0.00 179.24 179.71 2f3n h VAL 10 N 0.93 1.04 -0.76 -1.35 2.07 -1.22 0.26 116.25 117.21 2f3n h VAL 10 Ca 0.16 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2f3n h VAL 10 Cb 0.61 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2f3n h VAL 10 CO 0.04 0.12 0.45 1.23 0.02 0.00 0.00 177.57 179.43 2f3n h GLY 11 N 0.68 1.11 1.25 2.17 0.00 -1.08 0.65 103.07 107.86 2f3n h GLY 11 Ca 0.25 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 2f3n h GLY 11 CO -0.12 0.46 0.03 -0.55 0.00 0.00 0.00 176.54 176.36 2f3n h ASP 12 N 1.04 0.87 -0.33 0.19 3.32 -0.63 -1.78 116.42 119.11 2f3n h ASP 12 Ca 0.27 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 2f3n h ASP 12 Cb -0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2f3n h ASP 12 CO -0.05 0.92 0.10 -0.25 -1.72 0.00 0.00 179.24 178.24 2f3n h TRP 13 N 0.85 0.53 -0.58 4.55 7.01 -0.27 -1.05 115.95 126.99 2f3n h TRP 13 Ca 0.16 -0.06 0.08 0.00 2.11 0.00 0.00 58.89 61.19 2f3n h TRP 13 Cb 0.46 -0.15 -0.07 0.00 -2.10 0.00 0.00 29.16 27.30 2f3n h TRP 13 CO 0.03 0.54 0.23 -0.07 -2.79 0.00 0.00 178.44 176.37 2f3n h LEU 14 N 0.38 0.25 -1.05 0.65 3.38 -0.69 0.17 115.31 118.39 2f3n h LEU 14 Ca 0.11 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2f3n h LEU 14 Cb 0.25 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2f3n h LEU 14 CO -0.00 0.15 0.54 -0.33 0.09 0.00 0.00 178.44 178.89 2f3n h GLU 15 N 0.42 1.19 0.00 1.13 5.08 -0.98 0.12 114.58 121.53 2f3n h GLU 15 Ca 0.29 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2f3n h GLU 15 Cb 0.33 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2f3n h GLU 15 CO -0.28 0.82 -0.07 0.66 -1.00 0.00 0.00 179.01 179.15 2f3n h SER 16 N 1.21 0.00 -0.58 1.42 4.64 0.34 -1.82 113.55 118.76 2f3n h SER 16 Ca 0.32 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.37 2f3n h SER 16 Cb -0.07 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.86 2f3n h SER 16 CO -0.06 0.07 0.19 2.30 -0.87 0.00 0.00 176.83 178.46 2f3n n ILE 17 N -3.49 2.77 -2.19 0.95 -5.35 -0.75 -4.95 119.36 106.36 2f3n n ILE 17 Ca -0.02 -2.30 -0.19 0.00 -0.27 0.00 0.00 62.75 59.97 2f3n n ILE 17 Cb 0.20 -0.36 -0.02 0.00 -1.74 0.00 0.00 39.64 37.71 2f3n n ILE 17 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2f3n n HIS 18 N -0.97 -0.71 -1.75 4.28 8.25 -0.68 -4.88 115.22 118.75 2f3n n HIS 18 Ca 0.41 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.90 2f3n n HIS 18 Cb 1.26 -3.58 0.17 0.00 1.12 0.00 0.00 29.99 28.96 2f3n n HIS 18 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2f3n n LEU 19 N -2.58 2.75 0.32 2.41 4.77 0.35 -4.80 117.00 120.22 2f3n n LEU 19 Ca -0.22 -3.79 0.20 0.00 -0.03 0.00 0.00 56.01 52.18 2f3n n LEU 19 Cb 0.66 -0.44 1.09 0.00 -2.33 0.00 0.00 43.42 42.39 2f3n n LEU 19 CO 0.27 1.38 1.15 1.23 -1.33 0.00 0.00 177.39 180.09 2f3n h GLY 20 N 1.14 0.00 1.98 -0.72 0.00 -1.78 -1.74 103.07 101.95 2f3n h GLY 20 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2f3n h GLY 20 CO 0.09 0.00 0.01 1.05 0.00 0.00 0.00 176.54 177.69 2f3n h GLU 21 N 0.00 0.00 -0.01 4.80 4.11 -1.91 -1.17 114.58 120.40 2f3n h GLU 21 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2f3n h GLU 21 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2f3n h GLU 21 CO 0.00 0.00 -0.31 0.72 0.07 0.00 0.00 179.01 179.49 2f3n n HIS 22 N -3.46 0.00 0.03 2.06 8.25 -0.65 -4.55 115.22 116.90 2f3n n HIS 22 Ca -0.03 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2f3n n HIS 22 Cb 0.08 -0.06 0.30 0.00 1.12 0.00 0.00 29.99 31.44 2f3n n HIS 22 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2f3n h ARG 23 N 1.96 0.44 -0.66 -0.41 0.11 -1.34 -2.01 114.38 112.46 2f3n h ARG 23 Ca 0.00 -0.11 -0.07 0.00 0.10 0.00 0.00 59.98 59.91 2f3n h ARG 23 Cb 0.63 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 31.63 2f3n h ARG 23 CO 0.00 0.53 0.15 -0.44 0.10 0.00 0.00 179.97 180.31 2f3n h ASP 24 N 0.41 1.00 0.34 0.08 3.32 -1.80 0.10 116.42 119.88 2f3n h ASP 24 Ca 0.08 -0.21 -0.23 0.00 0.02 0.00 0.00 57.03 56.69 2f3n h ASP 24 Cb 0.40 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2f3n h ASP 24 CO 0.02 0.97 -0.95 -0.09 -1.72 0.00 0.00 179.24 177.47 2f3n h ARG 25 N 1.01 0.41 -0.66 3.56 2.43 -1.82 0.35 114.38 119.66 2f3n h ARG 25 Ca 0.21 -0.45 -0.07 0.00 -0.81 0.00 0.00 59.98 58.87 2f3n h ARG 25 Cb 0.37 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2f3n h ARG 25 CO 0.00 1.11 0.16 0.74 -1.51 0.00 0.00 179.97 180.47 2f3n h PHE 26 N 0.23 1.11 -0.47 2.20 -1.00 -1.24 -1.90 116.94 115.87 2f3n h PHE 26 Ca -0.08 -0.13 -0.05 0.00 2.81 0.00 0.00 57.97 60.51 2f3n h PHE 26 Cb 1.59 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 40.82 2f3n h PHE 26 CO 0.06 0.92 0.09 1.49 -1.61 0.00 0.00 178.31 179.26 2f3n h GLU 27 N 0.99 0.78 -0.43 1.51 4.81 -0.61 -1.90 114.58 119.72 2f3n h GLU 27 Ca 0.21 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2f3n h GLU 27 Cb 0.37 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2f3n h GLU 27 CO 0.00 0.78 0.29 -0.44 -0.73 0.00 0.00 179.01 178.91 2f3n h ASP 28 N 0.65 0.47 -0.19 1.04 3.32 -0.70 -0.55 116.42 120.46 2f3n h ASP 28 Ca 0.15 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2f3n h ASP 28 Cb 0.37 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2f3n h ASP 28 CO 0.01 0.34 0.00 1.41 -1.72 0.00 0.00 179.24 179.27 2f3n n HIS 29 N -4.47 0.25 -3.87 4.55 8.25 -0.74 -4.94 115.22 114.26 2f3n n HIS 29 Ca 0.04 -0.13 -0.27 0.00 -0.26 0.00 0.00 57.72 57.11 2f3n n HIS 29 Cb 0.08 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.21 2f3n n HIS 29 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2f3n n GLU 30 N 0.26 -4.77 -2.47 -0.41 1.02 -0.21 -4.92 120.64 109.12 2f3n n GLU 30 Ca 0.14 0.56 -0.42 0.00 -0.02 0.00 0.00 57.16 57.42 2f3n n GLU 30 Cb 0.29 -5.19 -0.03 0.00 -0.02 0.00 0.00 31.44 26.49 2f3n n GLU 30 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2f3n s ILE 31 N -3.54 4.30 0.40 -3.67 -1.09 -0.78 -4.93 121.20 111.90 2f3n s ILE 31 Ca 0.32 1.62 0.08 0.00 -2.23 0.00 0.00 60.65 60.43 2f3n s ILE 31 Cb -0.16 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 2f3n s ILE 31 CO 0.84 -0.03 0.23 -1.83 -1.23 0.00 0.00 174.94 172.92 2f3n s GLU 32 N 2.44 2.33 0.22 2.79 -1.05 -1.26 -4.04 118.70 120.13 2f3n s GLU 32 Ca 0.55 -1.72 -0.08 0.00 -0.15 0.00 0.00 54.97 53.57 2f3n s GLU 32 Cb -0.23 -2.11 0.34 0.00 -0.44 0.00 0.00 34.13 31.69 2f3n s GLU 32 CO 0.20 -0.11 1.73 0.78 0.95 0.00 0.00 175.26 178.81 2f3n h GLY 33 N 1.34 0.93 1.77 -3.83 0.00 -1.44 -1.05 103.07 100.78 2f3n h GLY 33 Ca -0.43 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 46.83 2f3n h GLY 33 CO 0.66 -0.07 0.09 0.00 0.00 0.00 0.00 176.54 177.22 2f3n h ALA 34 N 1.48 1.65 0.00 3.60 0.00 -1.71 -2.05 119.26 122.22 2f3n h ALA 34 Ca 0.35 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 2f3n h ALA 34 Cb 0.49 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2f3n h ALA 34 CO -0.37 -0.14 -0.60 0.45 0.00 0.00 0.00 179.25 178.60 2f3n h HIS 35 N 0.00 0.00 -0.43 0.00 3.86 -1.56 -3.39 115.15 113.63 2f3n h HIS 35 Ca 0.04 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.34 2f3n h HIS 35 Cb 0.23 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.60 2f3n h HIS 35 CO 0.00 0.60 -0.22 -0.07 0.86 0.00 0.00 177.93 179.10 2f3n h LEU 36 N 0.00 -0.75 -2.13 2.43 3.38 -1.37 -2.19 115.31 114.69 2f3n h LEU 36 Ca -0.01 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2f3n h LEU 36 Cb 1.31 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 2f3n h LEU 36 CO 0.08 -0.25 -0.02 -0.65 0.09 0.00 0.00 178.44 177.69 2f3n h PRO 37 N -0.14 0.00 0.00 1.13 0.11 -1.78 -2.68 132.00 128.64 2f3n h PRO 37 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2f3n h PRO 37 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2f3n h PRO 37 CO -0.51 0.02 -0.50 0.00 -0.21 0.00 0.00 178.00 176.80 2f3n n ALA 38 N -2.45 3.45 -1.77 -0.75 0.00 -0.84 -4.92 120.51 113.23 2f3n n ALA 38 Ca -0.03 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 2f3n n ALA 38 Cb 0.11 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 2f3n n ALA 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2f3n s LEU 39 N -3.10 4.33 0.50 0.00 1.43 -1.01 -5.00 118.68 115.83 2f3n s LEU 39 Ca 0.11 2.99 0.09 0.00 -1.03 0.00 0.00 54.13 56.29 2f3n s LEU 39 Cb 0.17 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.79 2f3n s LEU 39 CO 0.70 -0.90 0.67 0.42 0.23 0.00 0.00 176.35 177.46 2f3n s THR 40 N -0.44 2.53 0.22 5.49 -4.23 -1.26 -4.92 115.64 113.03 2f3n s THR 40 Ca 0.59 -1.03 -0.08 0.00 -1.18 0.00 0.00 61.69 59.99 2f3n s THR 40 Cb -0.47 -2.56 0.16 0.00 1.34 0.00 0.00 72.50 70.97 2f3n s THR 40 CO 0.54 0.00 1.75 0.50 -0.54 0.00 0.00 174.62 176.87 2f3n h LYS 41 N 0.43 0.44 -0.73 3.99 3.64 -1.99 -0.16 116.57 122.18 2f3n h LYS 41 Ca -0.35 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 2f3n h LYS 41 Cb 1.28 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 2f3n h LYS 41 CO 0.44 0.29 0.35 0.93 -2.27 0.00 0.00 179.45 179.19 2f3n h GLU 42 N 0.45 1.05 -0.43 1.90 3.07 -1.99 -0.94 114.58 117.68 2f3n h GLU 42 Ca 0.33 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.36 59.02 2f3n h GLU 42 Cb 0.41 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 2f3n h GLU 42 CO -0.31 0.81 0.17 -0.44 -1.40 0.00 0.00 179.01 177.83 2f3n h ASP 43 N 1.04 0.60 -0.88 1.42 3.32 -1.56 -1.59 116.42 118.76 2f3n h ASP 43 Ca 0.25 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2f3n h ASP 43 Cb 0.11 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 2f3n h ASP 43 CO -0.03 0.60 0.49 -0.26 -1.72 0.00 0.00 179.24 178.32 2f3n h PHE 44 N 0.55 1.21 -0.58 4.55 0.04 -0.59 0.30 116.94 122.42 2f3n h PHE 44 Ca 0.14 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.85 2f3n h PHE 44 Cb 0.20 -0.39 -0.03 0.00 2.20 0.00 0.00 35.95 37.94 2f3n h PHE 44 CO 0.00 0.83 0.22 0.28 -0.60 0.00 0.00 178.31 179.04 2f3n h VAL 45 N 1.23 1.23 -0.07 -0.55 2.07 -1.02 0.24 116.25 119.39 2f3n h VAL 45 Ca 0.31 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 2f3n h VAL 45 Cb 0.02 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2f3n h VAL 45 CO -0.05 0.28 -0.02 -0.08 0.02 0.00 0.00 177.57 177.72 2f3n h GLU 46 N 0.80 0.09 -0.04 1.57 4.81 -0.59 0.20 114.58 121.42 2f3n h GLU 46 Ca 0.19 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2f3n h GLU 46 Cb 0.22 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2f3n h GLU 46 CO -0.01 0.13 0.00 1.28 -0.73 0.00 0.00 179.01 179.67 2f3n n LEU 47 N -4.45 0.53 0.00 1.64 4.77 0.03 -4.88 117.00 114.63 2f3n n LEU 47 Ca -0.02 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2f3n n LEU 47 Cb 0.14 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2f3n n LEU 47 CO 0.35 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2f3n n GLY 48 N 0.96 0.69 3.47 -0.72 0.00 0.69 -4.68 105.19 105.60 2f3n n GLY 48 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 2f3n n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f3n s VAL 49 N -2.13 4.93 -0.70 1.61 1.01 0.72 -4.75 120.40 121.10 2f3n s VAL 49 Ca 0.00 -2.46 0.24 0.00 0.00 0.00 0.00 61.98 59.76 2f3n s VAL 49 Cb 0.00 -4.92 0.06 0.00 0.00 0.00 0.00 36.38 31.52 2f3n s VAL 49 CO 0.00 -1.64 1.37 0.35 0.00 0.00 0.00 175.10 175.18 2f3n n THR 50 N 4.85 0.32 -3.11 3.92 -2.24 -1.26 -4.06 114.28 112.69 2f3n n THR 50 Ca 0.36 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.51 2f3n n THR 50 Cb 0.44 -0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.49 2f3n n THR 50 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2f3n s ARG 51 N -3.14 4.34 0.25 -0.78 0.52 -1.26 -4.96 118.95 113.92 2f3n s ARG 51 Ca 0.07 0.72 -0.03 0.00 -0.52 0.00 0.00 55.73 55.98 2f3n s ARG 51 Cb 0.14 -3.49 0.46 0.00 0.52 0.00 0.00 34.95 32.57 2f3n s ARG 51 CO 0.71 -0.04 1.80 0.28 0.02 0.00 0.00 175.30 178.06 2f3n h VAL 52 N 4.91 0.85 -0.31 3.52 2.07 -2.00 -1.55 116.25 123.74 2f3n h VAL 52 Ca -0.37 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2f3n h VAL 52 Cb 1.17 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2f3n h VAL 52 CO 0.77 0.14 0.08 1.23 0.02 0.00 0.00 177.57 179.81 2f3n h GLY 53 N 0.75 0.48 0.75 2.17 0.00 -1.99 0.31 103.07 105.53 2f3n h GLY 53 Ca 0.43 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 2f3n h GLY 53 CO -0.29 0.22 -0.06 0.45 0.00 0.00 0.00 176.54 176.86 2f3n h HIS 54 N 0.44 0.35 -0.83 5.60 3.86 -1.70 -1.05 115.15 121.83 2f3n h HIS 54 Ca 0.11 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2f3n h HIS 54 Cb 0.16 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.51 2f3n h HIS 54 CO 0.01 0.61 0.50 0.00 0.86 0.00 0.00 177.93 179.91 2f3n h ARG 55 N -0.02 1.12 -0.35 2.45 3.08 -0.98 0.05 114.38 119.73 2f3n h ARG 55 Ca 0.03 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 2f3n h ARG 55 Cb 0.52 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2f3n h ARG 55 CO 0.02 0.79 -0.18 0.93 -1.07 0.00 0.00 179.97 180.46 2f3n h GLU 56 N 1.14 0.65 -0.06 0.04 4.39 -0.82 -1.73 114.58 118.19 2f3n h GLU 56 Ca 0.30 -0.23 -0.13 0.00 0.34 0.00 0.00 59.36 59.64 2f3n h GLU 56 Cb -0.05 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2f3n h GLU 56 CO -0.06 0.79 -0.55 -0.91 -1.16 0.00 0.00 179.01 177.13 2f3n h ASN 57 N 0.58 0.19 -0.07 1.42 2.35 -0.32 0.16 115.58 119.90 2f3n h ASN 57 Ca 0.09 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2f3n h ASN 57 Cb 0.63 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 2f3n h ASN 57 CO 0.04 0.70 0.02 0.40 -1.65 0.00 0.00 177.43 176.95 2f3n h ILE 58 N 0.13 1.18 -0.33 2.81 2.04 -0.67 0.07 117.51 122.74 2f3n h ILE 58 Ca -0.00 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.32 2f3n h ILE 58 Cb 1.01 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 2f3n h ILE 58 CO 0.08 0.15 0.20 -0.08 0.00 0.00 0.00 178.15 178.50 2f3n h GLU 59 N -0.09 0.39 -0.88 2.37 4.57 -1.19 -0.58 114.58 119.18 2f3n h GLU 59 Ca 0.02 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2f3n h GLU 59 Cb 0.23 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.68 2f3n h GLU 59 CO -0.00 0.26 0.58 -0.09 -1.18 0.00 0.00 179.01 178.58 2f3n h ARG 60 N 0.41 1.12 -0.02 1.92 2.43 -0.81 -0.67 114.38 118.75 2f3n h ARG 60 Ca 0.13 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 2f3n h ARG 60 Cb -0.01 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.28 2f3n h ARG 60 CO -0.06 0.74 -0.52 0.00 -1.51 0.00 0.00 179.97 178.62 2f3n h ALA 61 N 1.47 1.10 -0.26 2.80 0.00 -0.40 -1.75 119.26 122.21 2f3n h ALA 61 Ca 0.33 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2f3n h ALA 61 Cb -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2f3n h ALA 61 CO -0.08 0.66 -0.42 -0.07 0.00 0.00 0.00 179.25 179.34 2f3n h LEU 62 N 0.04 0.81 -0.56 0.00 3.38 -0.25 -2.77 115.31 115.97 2f3n h LEU 62 Ca -0.00 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 2f3n h LEU 62 Cb 0.94 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2f3n h LEU 62 CO 0.07 1.18 0.20 0.03 0.09 0.00 0.00 178.44 180.01 2f3n h ARG 63 N 0.47 0.86 0.00 1.13 3.08 -1.06 -1.82 114.38 117.04 2f3n h ARG 63 Ca 0.02 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2f3n h ARG 63 Cb 1.01 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.93 2f3n h ARG 63 CO 0.10 0.76 0.00 1.96 -1.07 0.00 0.00 179.97 181.72 2f3n h GLN 64 N 0.78 0.00 -0.01 0.04 4.20 -1.26 -3.52 115.11 115.35 2f3n h GLN 64 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2f3n h GLN 64 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2f3n h GLN 64 CO -0.01 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.43