#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otf s ILE 3 N 0.00 1.49 -0.05 0.52 1.01 -1.26 -2.16 121.20 120.75 1otf s ILE 3 Ca 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 59.93 1otf s ILE 3 Cb 0.00 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.20 1otf s ILE 3 CO 0.00 0.43 -0.24 0.00 0.00 0.00 0.00 174.94 175.13 1otf s ALA 4 N -0.23 2.04 -0.19 9.38 0.00 -0.76 -4.96 121.76 127.05 1otf s ALA 4 Ca 0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 1otf s ALA 4 Cb -0.09 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.40 1otf s ALA 4 CO 0.01 0.39 -0.14 -1.14 0.00 0.00 0.00 175.76 174.87 1otf s GLN 5 N -0.13 3.15 -0.19 0.00 0.74 -1.26 -1.27 119.66 120.69 1otf s GLN 5 Ca -0.04 -0.75 -0.05 0.00 0.05 0.00 0.00 55.36 54.57 1otf s GLN 5 Cb -0.13 -2.72 -0.03 0.00 1.10 0.00 0.00 33.01 31.24 1otf s GLN 5 CO 0.03 -0.17 0.00 -0.51 -0.55 0.00 0.00 175.29 174.09 1otf s LEU 6 N 1.28 3.30 -0.40 3.68 1.43 0.29 -4.98 118.68 123.28 1otf s LEU 6 Ca 0.04 -0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 52.88 1otf s LEU 6 Cb -0.14 -1.83 0.07 0.00 0.03 0.00 0.00 46.19 44.32 1otf s LEU 6 CO -0.08 0.09 0.22 -0.31 0.23 0.00 0.00 176.35 176.50 1otf s TYR 7 N 0.87 3.32 0.12 0.29 2.02 -1.26 0.89 117.35 123.60 1otf s TYR 7 Ca 0.01 -1.46 0.07 0.00 -0.37 0.00 0.00 57.07 55.32 1otf s TYR 7 Cb -0.14 -2.77 -0.04 0.00 -0.40 0.00 0.00 41.96 38.62 1otf s TYR 7 CO 0.02 -0.80 -0.17 0.96 -1.57 0.00 0.00 175.55 173.99 1otf s ILE 8 N 1.43 1.52 0.22 2.71 -4.36 -0.98 -5.00 121.20 116.74 1otf s ILE 8 Ca 0.02 -1.67 -0.21 0.00 -0.26 0.00 0.00 60.65 58.53 1otf s ILE 8 Cb -0.22 -1.55 -0.08 0.00 1.25 0.00 0.00 42.46 41.85 1otf s ILE 8 CO 0.03 -0.27 0.75 -0.63 0.24 0.00 0.00 174.94 175.05 1otf s ILE 9 N -1.75 4.51 0.49 8.37 1.01 -1.26 -1.55 121.20 131.03 1otf s ILE 9 Ca 0.08 1.38 -0.12 0.00 0.00 0.00 0.00 60.65 61.99 1otf s ILE 9 Cb -0.07 -3.90 -0.11 0.00 0.01 0.00 0.00 42.46 38.39 1otf s ILE 9 CO 0.04 0.24 -0.27 -0.62 0.00 0.00 0.00 174.94 174.33 1otf n GLU 10 N 0.82 0.00 0.00 2.79 1.02 0.87 -4.53 120.64 121.60 1otf n GLU 10 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1otf n GLU 10 Cb 0.51 -0.71 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 1otf n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1otf n GLY 11 N 2.04 0.79 3.86 0.62 0.00 -1.26 -4.90 105.19 106.35 1otf n GLY 11 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1otf n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1otf s ARG 12 N -0.43 3.87 1.11 1.61 3.00 -1.26 -5.08 118.95 121.77 1otf s ARG 12 Ca 0.00 0.35 -0.15 0.00 0.00 0.00 0.00 55.73 55.93 1otf s ARG 12 Cb 0.00 -2.76 0.25 0.00 0.00 0.00 0.00 34.95 32.43 1otf s ARG 12 CO 0.00 0.38 1.08 0.95 0.00 0.00 0.00 175.30 177.71 1otf s THR 13 N -1.67 1.84 0.19 0.02 -4.23 -1.26 -4.88 115.64 105.66 1otf s THR 13 Ca 0.43 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.89 1otf s THR 13 Cb -0.13 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 1otf s THR 13 CO 0.20 0.00 1.56 0.44 -0.54 0.00 0.00 174.62 176.28 1otf h ASP 14 N -2.31 0.78 -0.22 3.99 3.32 -1.99 -2.70 116.42 117.29 1otf h ASP 14 Ca -0.53 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.17 1otf h ASP 14 Cb 1.32 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1otf h ASP 14 CO 0.49 1.07 0.10 -0.08 -1.72 0.00 0.00 179.24 179.09 1otf h GLU 15 N 0.61 0.32 -0.77 3.56 4.81 -2.00 -1.92 114.58 119.20 1otf h GLU 15 Ca 0.06 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1otf h GLU 15 Cb 0.90 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.19 1otf h GLU 15 CO 0.08 0.34 0.49 1.96 -0.73 0.00 0.00 179.01 181.16 1otf h GLN 16 N 0.22 1.03 -0.97 1.92 4.20 -1.90 -2.18 115.11 117.42 1otf h GLN 16 Ca 0.07 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1otf h GLN 16 Cb 0.14 -0.22 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 1otf h GLN 16 CO -0.01 0.70 0.64 0.87 -0.67 0.00 0.00 178.83 180.36 1otf h LYS 17 N 1.05 1.28 -0.69 1.46 1.57 -1.42 -1.69 116.57 118.14 1otf h LYS 17 Ca 0.28 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1otf h LYS 17 Cb -0.08 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 31.91 1otf h LYS 17 CO -0.06 0.85 0.13 1.49 -0.57 0.00 0.00 179.45 181.30 1otf h GLU 18 N 1.32 1.12 -0.39 3.15 4.81 -1.07 -1.02 114.58 122.51 1otf h GLU 18 Ca 0.36 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1otf h GLU 18 Cb -0.15 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.08 1otf h GLU 18 CO -0.08 1.01 0.04 1.15 -0.73 0.00 0.00 179.01 180.40 1otf h THR 19 N 1.05 1.25 -0.47 0.32 2.02 -1.37 -1.96 112.91 113.76 1otf h THR 19 Ca 0.21 -0.90 0.04 0.00 0.77 0.00 0.00 66.41 66.53 1otf h THR 19 Cb 0.42 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1otf h THR 19 CO 0.01 0.31 0.22 0.25 0.37 0.00 0.00 175.52 176.68 1otf h LEU 20 N 0.49 0.31 -0.49 2.58 5.85 -1.23 0.72 115.31 123.54 1otf h LEU 20 Ca 0.12 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1otf h LEU 20 Cb 0.40 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1otf h LEU 20 CO 0.01 0.22 0.17 0.40 -0.34 0.00 0.00 178.44 178.90 1otf h ILE 21 N 0.44 1.22 0.48 4.05 2.04 -0.99 -1.02 117.51 123.72 1otf h ILE 21 Ca 0.21 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1otf h ILE 21 Cb 0.14 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1otf h ILE 21 CO -0.16 0.26 -0.23 -0.09 0.00 0.00 0.00 178.15 177.94 1otf h ARG 22 N 0.65 -0.62 -0.23 2.37 2.43 -0.80 -1.20 114.38 116.99 1otf h ARG 22 Ca 0.16 0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.24 1otf h ARG 22 Cb 0.24 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1otf h ARG 22 CO -0.01 -0.41 -0.41 1.96 -1.51 0.00 0.00 179.97 179.60 1otf h GLN 23 N -0.64 0.53 -0.20 0.20 4.20 -0.87 0.01 115.11 118.34 1otf h GLN 23 Ca -0.07 -0.27 -0.13 0.00 0.06 0.00 0.00 58.65 58.24 1otf h GLN 23 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1otf h GLN 23 CO 0.11 0.85 -0.40 0.28 -0.67 0.00 0.00 178.83 178.99 1otf h VAL 24 N 0.44 1.33 -0.75 -0.54 2.07 -1.17 -1.87 116.25 115.76 1otf h VAL 24 Ca 0.04 -1.64 0.03 0.00 0.82 0.00 0.00 66.70 65.95 1otf h VAL 24 Cb 0.90 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.49 1otf h VAL 24 CO 0.08 0.51 0.47 0.28 0.02 0.00 0.00 177.57 178.93 1otf h SER 25 N 0.30 0.78 -0.51 0.57 0.02 -0.73 -1.88 113.55 112.10 1otf h SER 25 Ca 0.01 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1otf h SER 25 Cb 1.01 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1otf h SER 25 CO 0.09 0.54 0.28 -0.08 -1.14 0.00 0.00 176.83 176.52 1otf h GLU 26 N 0.92 0.71 -0.75 3.45 4.81 -1.00 -0.81 114.58 121.92 1otf h GLU 26 Ca 0.30 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1otf h GLU 26 Cb 0.01 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1otf h GLU 26 CO -0.11 0.56 0.50 0.00 -0.73 0.00 0.00 179.01 179.23 1otf h ALA 27 N 1.11 1.57 -0.11 2.92 0.00 -1.05 -1.75 119.26 121.96 1otf h ALA 27 Ca 0.18 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1otf h ALA 27 Cb 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1otf h ALA 27 CO -0.03 0.35 -0.28 0.52 0.00 0.00 0.00 179.25 179.81 1otf h MET 28 N 0.91 0.38 -0.33 0.00 2.86 -0.55 -1.50 114.93 116.69 1otf h MET 28 Ca 0.30 -0.27 0.06 0.00 -2.06 0.00 0.00 59.70 57.74 1otf h MET 28 Cb 0.07 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.72 1otf h MET 28 CO -0.09 0.88 -0.04 0.00 1.06 0.00 0.00 176.91 178.71 1otf h ALA 29 N 0.51 0.26 -0.14 6.32 0.00 -0.88 0.13 119.26 125.44 1otf h ALA 29 Ca -0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1otf h ALA 29 Cb 0.89 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1otf h ALA 29 CO 0.06 -0.44 0.00 -0.91 0.00 0.00 0.00 179.25 177.97 1otf h ASN 30 N 0.04 0.25 0.48 0.00 2.35 -1.36 0.75 115.58 118.09 1otf h ASN 30 Ca 0.16 -0.30 -0.13 0.00 -0.55 0.00 0.00 56.30 55.48 1otf h ASN 30 Cb 0.24 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1otf h ASN 30 CO -0.31 0.49 -0.58 0.28 -1.65 0.00 0.00 177.43 175.66 1otf h SER 31 N -0.00 0.12 0.17 5.81 0.02 -1.15 -3.26 113.55 115.25 1otf h SER 31 Ca 0.04 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1otf h SER 31 Cb 0.36 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1otf h SER 31 CO 0.01 0.67 -0.70 0.18 -1.14 0.00 0.00 176.83 175.85 1otf n LEU 32 N -3.87 1.00 -2.70 5.07 4.77 0.02 -4.95 117.00 116.34 1otf n LEU 32 Ca -0.02 -0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 55.46 1otf n LEU 32 Cb 0.59 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.65 1otf n LEU 32 CO 0.43 0.22 0.11 -0.67 -1.33 0.00 0.00 177.39 176.16 1otf n ASP 33 N -1.21 -3.19 -4.27 -1.43 -0.08 -0.86 -5.02 116.55 100.49 1otf n ASP 33 Ca 0.06 -0.42 -0.30 0.00 -1.51 0.00 0.00 54.79 52.63 1otf n ASP 33 Cb 0.35 -3.74 -0.16 0.00 2.34 0.00 0.00 41.12 39.91 1otf n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1otf s ALA 34 N -3.24 2.00 0.11 -1.67 0.00 0.20 -5.04 121.76 114.12 1otf s ALA 34 Ca 0.16 -1.02 -0.36 0.00 0.00 0.00 0.00 51.96 50.74 1otf s ALA 34 Cb -0.07 -0.53 -0.16 0.00 0.00 0.00 0.00 23.12 22.36 1otf s ALA 34 CO 0.52 0.47 1.35 -2.30 0.00 0.00 0.00 175.76 175.79 1otf n PRO 35 N 2.58 1.30 -0.19 0.00 -0.02 -1.26 -4.47 135.00 132.93 1otf n PRO 35 Ca -0.16 0.47 0.02 0.00 -2.02 0.00 0.00 63.50 61.81 1otf n PRO 35 Cb 0.52 -2.10 0.29 0.00 -0.02 0.00 0.00 33.50 32.18 1otf n PRO 35 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1otf h LEU 36 N 4.55 0.78 -2.24 2.45 5.85 -1.94 -0.96 115.31 123.80 1otf h LEU 36 Ca -0.47 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1otf h LEU 36 Cb 1.33 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1otf h LEU 36 CO 0.78 0.55 0.00 1.05 -0.34 0.00 0.00 178.44 180.48 1otf h GLU 37 N 0.92 0.00 0.00 1.25 9.09 -2.00 -2.47 114.58 121.37 1otf h GLU 37 Ca 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.69 1otf h GLU 37 Cb -0.01 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.09 1otf h GLU 37 CO -0.07 0.00 -0.62 0.00 0.05 0.00 0.00 179.01 178.37 1otf h ARG 38 N 0.00 0.00 -6.61 1.06 2.47 -1.53 -3.47 114.38 106.30 1otf h ARG 38 Ca 0.00 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.19 1otf h ARG 38 Cb 0.02 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.36 1otf h ARG 38 CO 0.00 0.01 0.60 0.08 0.56 0.00 0.00 179.97 181.22 1otf s VAL 39 N -3.29 3.54 0.00 2.04 1.01 -0.93 -4.34 120.40 118.42 1otf s VAL 39 Ca 0.02 1.22 0.06 0.00 0.00 0.00 0.00 61.98 63.28 1otf s VAL 39 Cb 0.08 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1otf s VAL 39 CO 0.74 0.16 -0.19 -0.13 0.00 0.00 0.00 175.10 175.68 1otf s ARG 40 N 0.24 2.19 -0.06 2.72 1.81 -0.92 -5.03 118.95 119.90 1otf s ARG 40 Ca 0.57 -0.90 0.01 0.00 -1.72 0.00 0.00 55.73 53.69 1otf s ARG 40 Cb -0.33 -2.20 0.02 0.00 -0.45 0.00 0.00 34.95 31.98 1otf s ARG 40 CO 0.35 0.57 -0.06 0.08 -0.68 0.00 0.00 175.30 175.55 1otf s VAL 41 N -0.80 0.70 -0.22 3.52 1.01 -1.26 -1.82 120.40 121.52 1otf s VAL 41 Ca 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1otf s VAL 41 Cb -0.10 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 1otf s VAL 41 CO 0.03 0.27 -0.06 -0.76 0.00 0.00 0.00 175.10 174.57 1otf s LEU 42 N 0.99 2.83 -0.18 3.92 1.43 -0.40 -4.96 118.68 122.30 1otf s LEU 42 Ca -0.10 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.43 1otf s LEU 42 Cb -0.14 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 1otf s LEU 42 CO -0.00 -0.03 0.15 -0.63 0.23 0.00 0.00 176.35 176.07 1otf s ILE 43 N 1.44 5.41 -0.36 -0.59 1.01 -1.26 -0.55 121.20 126.30 1otf s ILE 43 Ca 0.05 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.96 1otf s ILE 43 Cb -0.14 -3.48 0.10 0.00 0.01 0.00 0.00 42.46 38.95 1otf s ILE 43 CO -0.05 0.47 0.09 -0.89 0.00 0.00 0.00 174.94 174.57 1otf s THR 44 N 0.08 2.69 0.18 2.92 2.01 0.26 -4.92 115.64 118.85 1otf s THR 44 Ca 0.11 -2.14 -0.11 0.00 0.31 0.00 0.00 61.69 59.86 1otf s THR 44 Cb -0.11 -2.87 -0.07 0.00 0.01 0.00 0.00 72.50 69.45 1otf s THR 44 CO 0.00 -0.57 0.51 -0.70 -0.69 0.00 0.00 174.62 173.17 1otf s GLU 45 N 1.02 3.83 0.03 4.92 2.12 -1.26 -2.32 118.70 127.04 1otf s GLU 45 Ca 0.08 0.29 -0.06 0.00 0.36 0.00 0.00 54.97 55.64 1otf s GLU 45 Cb -0.20 -2.80 -0.01 0.00 0.26 0.00 0.00 34.13 31.38 1otf s GLU 45 CO -0.06 0.41 0.11 0.00 -0.54 0.00 0.00 175.26 175.18 1otf s MET 46 N -2.42 0.57 0.84 4.30 0.23 -0.59 -4.92 119.30 117.30 1otf s MET 46 Ca 0.42 -0.67 -0.12 0.00 -1.03 0.00 0.00 55.69 54.29 1otf s MET 46 Cb -0.13 0.23 0.10 0.00 -1.53 0.00 0.00 34.83 33.50 1otf s MET 46 CO 0.20 -0.14 1.18 -1.25 -2.03 0.00 0.00 175.02 172.98 1otf s PRO 47 N -2.32 1.47 0.44 3.16 0.05 -1.26 -0.09 135.00 136.44 1otf s PRO 47 Ca -0.07 1.66 0.10 0.00 0.05 0.00 0.00 61.00 62.74 1otf s PRO 47 Cb -0.03 -1.77 0.96 0.00 0.05 0.00 0.00 34.50 33.71 1otf s PRO 47 CO -0.03 -2.32 2.05 -0.22 0.05 0.00 0.00 177.00 176.53 1otf h LYS 48 N -1.22 0.33 -0.13 4.56 3.64 -1.95 -1.28 116.57 120.53 1otf h LYS 48 Ca -0.45 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1otf h LYS 48 Cb 1.28 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1otf h LYS 48 CO 0.45 0.26 0.00 0.27 -2.27 0.00 0.00 179.45 178.16 1otf n ASN 49 N -4.45 0.91 -0.56 4.20 6.94 -1.26 -2.62 115.26 118.42 1otf n ASN 49 Ca 0.01 -1.76 0.13 0.00 -0.02 0.00 0.00 54.58 52.94 1otf n ASN 49 Cb 0.11 -0.08 0.42 0.00 -2.36 0.00 0.00 39.78 37.86 1otf n ASN 49 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1otf n HIS 50 N -0.11 0.00 -3.94 -2.53 8.25 -0.48 -4.81 115.22 111.60 1otf n HIS 50 Ca 0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.22 1otf n HIS 50 Cb 0.18 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.14 1otf n HIS 50 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1otf s PHE 51 N -2.05 2.94 -0.05 4.41 5.36 -1.08 -5.01 117.98 122.50 1otf s PHE 51 Ca 0.35 -1.10 0.04 0.00 -0.96 0.00 0.00 56.93 55.25 1otf s PHE 51 Cb 0.21 -2.07 -0.02 0.00 -0.34 0.00 0.00 43.02 40.79 1otf s PHE 51 CO 0.35 -0.61 -0.16 0.20 -1.46 0.00 0.00 175.22 173.54 1otf s GLY 52 N 1.44 1.49 -0.23 13.12 0.00 -1.26 0.20 107.32 122.08 1otf s GLY 52 Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1otf s GLY 52 CO -0.05 -0.72 -0.03 -0.42 0.00 0.00 0.00 173.10 171.88 1otf s ILE 53 N -0.59 1.33 -1.43 0.90 1.01 -0.18 -4.79 121.20 117.45 1otf s ILE 53 Ca 0.08 -1.12 -0.10 0.00 0.00 0.00 0.00 60.65 59.51 1otf s ILE 53 Cb -0.11 -1.66 0.04 0.00 0.01 0.00 0.00 42.46 40.73 1otf s ILE 53 CO 0.01 -0.15 1.06 0.61 0.00 0.00 0.00 174.94 176.47 1otf n GLY 54 N 4.74 -0.53 1.94 6.18 0.00 -1.26 -2.82 105.19 113.45 1otf n GLY 54 Ca -0.11 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1otf n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1otf n GLY 55 N -1.85 1.46 3.40 -0.02 0.00 -1.26 -5.05 105.19 101.87 1otf n GLY 55 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1otf n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1otf s GLU 56 N -0.35 2.24 0.27 1.61 0.41 -1.13 -5.10 118.70 116.64 1otf s GLU 56 Ca 0.00 -0.86 -0.30 0.00 -0.41 0.00 0.00 54.97 53.40 1otf s GLU 56 Cb 0.00 -2.19 -0.11 0.00 -1.78 0.00 0.00 34.13 30.05 1otf s GLU 56 CO 0.00 0.58 1.50 -2.14 -0.49 0.00 0.00 175.26 174.71 1otf s PRO 57 N -0.85 4.21 0.46 0.39 0.02 -1.26 -1.01 135.00 136.96 1otf s PRO 57 Ca 0.12 2.41 0.29 0.00 0.02 0.00 0.00 61.00 63.83 1otf s PRO 57 Cb -0.10 -3.08 1.35 0.00 0.02 0.00 0.00 34.50 32.69 1otf s PRO 57 CO 0.01 -0.51 1.75 0.00 -0.33 0.00 0.00 177.00 177.92 1otf h ALA 58 N 4.98 2.72 0.00 -1.55 0.00 0.22 1.66 119.26 127.29 1otf h ALA 58 Ca -0.46 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1otf h ALA 58 Cb 1.22 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1otf h ALA 58 CO 0.78 -1.15 0.00 -1.13 0.00 0.00 0.00 179.25 177.75 1otf n SER 59 N -4.45 0.00 0.00 0.00 3.41 -1.24 -4.99 113.62 106.35 1otf n SER 59 Ca 0.29 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1otf n SER 59 Cb 1.17 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 1otf n SER 59 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17