#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 2.35 -0.11 0.52 1.01 -1.26 -2.56 121.20 121.16 1otf s ILE 3 Ca 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 60.65 59.41 1otf s ILE 3 Cb 0.00 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 1otf s ILE 3 CO 0.00 0.40 -0.19 0.00 0.00 0.00 0.00 174.94 175.15 1otf s ALA 4 N -0.81 2.39 -0.16 9.38 0.00 -0.73 -4.99 121.76 126.83 1otf s ALA 4 Ca 0.12 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 1otf s ALA 4 Cb -0.10 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 1otf s ALA 4 CO 0.02 0.30 -0.09 -1.14 0.00 0.00 0.00 175.76 174.84 1otf s GLN 5 N 0.25 3.41 -0.25 0.00 0.74 -1.26 -1.38 119.66 121.17 1otf s GLN 5 Ca -0.13 -0.65 -0.06 0.00 0.05 0.00 0.00 55.36 54.57 1otf s GLN 5 Cb -0.16 -2.78 -0.01 0.00 1.10 0.00 0.00 33.01 31.16 1otf s GLN 5 CO 0.07 0.09 0.04 -0.51 -0.55 0.00 0.00 175.29 174.42 1otf s LEU 6 N 0.71 3.37 -0.44 3.68 1.43 0.13 -4.96 118.68 122.59 1otf s LEU 6 Ca -0.05 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 52.54 1otf s LEU 6 Cb -0.15 -1.86 0.06 0.00 0.03 0.00 0.00 46.19 44.27 1otf s LEU 6 CO 0.02 -0.07 0.32 -0.31 0.23 0.00 0.00 176.35 176.55 1otf s TYR 7 N 1.55 3.26 0.09 0.29 2.02 -1.25 0.13 117.35 123.44 1otf s TYR 7 Ca 0.05 -1.00 0.05 0.00 -0.37 0.00 0.00 57.07 55.80 1otf s TYR 7 Cb -0.15 -2.92 -0.03 0.00 -0.40 0.00 0.00 41.96 38.45 1otf s TYR 7 CO 0.01 -0.75 -0.13 0.96 -1.57 0.00 0.00 175.55 174.07 1otf s ILE 8 N 1.59 1.14 0.23 2.71 -4.36 -0.57 -4.99 121.20 116.95 1otf s ILE 8 Ca 0.04 -1.48 -0.29 0.00 -0.26 0.00 0.00 60.65 58.65 1otf s ILE 8 Cb -0.22 -1.25 -0.09 0.00 1.25 0.00 0.00 42.46 42.14 1otf s ILE 8 CO 0.06 -0.34 0.92 -0.63 0.24 0.00 0.00 174.94 175.19 1otf s ILE 9 N -1.74 4.12 0.95 8.37 1.01 -1.26 -0.75 121.20 131.91 1otf s ILE 9 Ca 0.02 2.02 -0.16 0.00 0.00 0.00 0.00 60.65 62.53 1otf s ILE 9 Cb -0.07 -4.29 -0.10 0.00 0.01 0.00 0.00 42.46 38.01 1otf s ILE 9 CO 0.02 0.48 -0.42 -0.62 0.00 0.00 0.00 174.94 174.41 1otf n GLU 10 N 1.45 -0.06 0.00 2.79 1.02 0.36 -4.51 120.64 121.69 1otf n GLU 10 Ca -0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1otf n GLU 10 Cb 0.47 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 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 2.87 1.20 3.89 0.62 0.00 -1.26 -4.92 105.19 107.59 1otf n GLY 11 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 3.40 0.76 1.61 1.81 -1.26 -5.10 118.95 120.16 1otf s ARG 12 Ca 0.00 -0.31 -0.11 0.00 -1.72 0.00 0.00 55.73 53.59 1otf s ARG 12 Cb 0.00 -3.08 0.05 0.00 -0.45 0.00 0.00 34.95 31.46 1otf s ARG 12 CO 0.00 0.69 1.08 0.95 -0.68 0.00 0.00 175.30 177.34 1otf s THR 13 N -1.27 3.46 0.42 0.02 -4.23 -1.26 -4.90 115.64 107.89 1otf s THR 13 Ca 0.25 0.47 0.13 0.00 -1.18 0.00 0.00 61.69 61.36 1otf s THR 13 Cb -0.12 -3.19 0.32 0.00 1.34 0.00 0.00 72.50 70.85 1otf s THR 13 CO 0.16 -0.62 1.97 0.44 -0.54 0.00 0.00 174.62 176.03 1otf h ASP 14 N -0.96 0.42 1.15 3.99 3.32 -1.99 -1.98 116.42 120.36 1otf h ASP 14 Ca -0.46 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.46 1otf h ASP 14 Cb 1.24 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1otf h ASP 14 CO 0.57 0.25 -0.90 -0.08 -1.72 0.00 0.00 179.24 177.37 1otf h GLU 15 N 0.47 0.00 0.00 3.56 4.81 -1.99 -1.89 114.58 119.53 1otf h GLU 15 Ca 0.29 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.42 1otf h GLU 15 Cb 0.53 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1otf h GLU 15 CO -0.09 0.49 -0.50 1.96 -0.73 0.00 0.00 179.01 180.14 1otf h GLN 16 N 0.00 0.00 -0.29 1.92 4.20 -1.75 -2.59 115.11 116.60 1otf h GLN 16 Ca -0.06 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.48 1otf h GLN 16 Cb 1.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.29 1otf h GLN 16 CO 0.07 0.50 -0.46 0.87 -0.67 0.00 0.00 178.83 179.13 1otf h LYS 17 N 0.00 0.76 -0.51 1.46 1.57 -1.35 -1.56 116.57 116.94 1otf h LYS 17 Ca -0.01 -0.43 -0.07 0.00 -1.87 0.00 0.00 60.65 58.27 1otf h LYS 17 Cb 0.90 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1otf h LYS 17 CO 0.07 1.06 0.03 1.49 -0.57 0.00 0.00 179.45 181.53 1otf h GLU 18 N 0.61 0.88 -0.38 3.15 4.81 -1.15 -0.42 114.58 122.08 1otf h GLU 18 Ca 0.03 -0.27 0.05 0.00 -0.13 0.00 0.00 59.36 59.05 1otf h GLU 18 Cb 1.03 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.28 1otf h GLU 18 CO 0.10 0.90 0.10 1.15 -0.73 0.00 0.00 179.01 180.53 1otf h THR 19 N 0.75 0.84 -0.18 0.32 2.02 -1.47 -0.53 112.91 114.66 1otf h THR 19 Ca 0.15 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1otf h THR 19 Cb 0.48 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1otf h THR 19 CO 0.02 0.04 -0.01 0.25 0.37 0.00 0.00 175.52 176.20 1otf h LEU 20 N 0.24 -0.09 -0.13 2.58 5.85 -1.16 0.09 115.31 122.69 1otf h LEU 20 Ca 0.18 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1otf h LEU 20 Cb 0.19 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1otf h LEU 20 CO -0.21 -0.02 0.05 0.40 -0.34 0.00 0.00 178.44 178.32 1otf h ILE 21 N 0.05 0.98 0.30 4.05 2.04 -0.55 -1.91 117.51 122.47 1otf h ILE 21 Ca 0.09 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1otf h ILE 21 Cb 0.11 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1otf h ILE 21 CO -0.15 0.02 -0.15 -0.09 0.00 0.00 0.00 178.15 177.78 1otf h ARG 22 N 0.12 -0.39 -0.46 2.37 2.43 -0.79 -1.96 114.38 115.70 1otf h ARG 22 Ca 0.05 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1otf h ARG 22 Cb 0.02 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1otf h ARG 22 CO -0.05 -0.26 0.22 1.96 -1.51 0.00 0.00 179.97 180.33 1otf h GLN 23 N -0.41 0.67 -0.46 0.20 4.20 -1.00 -0.51 115.11 117.80 1otf h GLN 23 Ca -0.04 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1otf h GLN 23 Cb 0.32 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1otf h GLN 23 CO 0.07 0.58 0.20 0.28 -0.67 0.00 0.00 178.83 179.28 1otf h VAL 24 N 0.61 1.20 -0.24 -0.54 2.07 -1.38 -1.51 116.25 116.46 1otf h VAL 24 Ca 0.16 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 67.12 1otf h VAL 24 Cb 0.13 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1otf h VAL 24 CO -0.02 0.23 -0.03 0.28 0.02 0.00 0.00 177.57 178.05 1otf h SER 25 N 0.60 -0.16 -1.00 0.57 0.02 -1.07 0.45 113.55 112.97 1otf h SER 25 Ca 0.16 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1otf h SER 25 Cb 0.17 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 1otf h SER 25 CO -0.02 -0.05 0.66 -0.33 -1.14 0.00 0.00 176.83 175.96 1otf h GLU 26 N 0.04 1.30 -0.56 3.45 5.08 -1.05 -1.81 114.58 121.03 1otf h GLU 26 Ca 0.12 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1otf h GLU 26 Cb 0.16 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1otf h GLU 26 CO -0.22 0.86 0.37 0.00 -1.00 0.00 0.00 179.01 179.01 1otf h ALA 27 N 1.38 0.71 -0.30 3.43 0.00 -0.54 -0.90 119.26 123.03 1otf h ALA 27 Ca 0.38 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1otf h ALA 27 Cb -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1otf h ALA 27 CO -0.09 0.14 -0.20 0.52 0.00 0.00 0.00 179.25 179.62 1otf h MET 28 N 0.75 0.67 -0.63 0.00 2.86 -0.59 -2.24 114.93 115.76 1otf h MET 28 Ca 0.20 -0.32 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1otf h MET 28 Cb -0.08 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1otf h MET 28 CO -0.05 0.92 0.29 0.00 1.06 0.00 0.00 176.91 179.13 1otf h ALA 29 N 0.74 0.81 0.19 6.32 0.00 -1.03 -2.12 119.26 124.17 1otf h ALA 29 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1otf h ALA 29 Cb 0.75 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1otf h ALA 29 CO 0.06 0.38 -0.09 -0.91 0.00 0.00 0.00 179.25 178.69 1otf h ASN 30 N 0.86 -0.22 -0.51 0.00 2.35 -1.19 0.71 115.58 117.59 1otf h ASN 30 Ca 0.21 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1otf h ASN 30 Cb 0.13 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1otf h ASN 30 CO -0.03 0.13 0.25 0.28 -1.65 0.00 0.00 177.43 176.42 1otf h SER 31 N -0.59 0.66 0.39 5.81 0.02 -1.42 -3.13 113.55 115.30 1otf h SER 31 Ca -0.03 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1otf h SER 31 Cb 0.44 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1otf h SER 31 CO 0.04 0.60 -0.42 0.18 -1.14 0.00 0.00 176.83 176.09 1otf n LEU 32 N -4.61 0.71 -3.48 5.07 4.77 -0.80 -4.97 117.00 113.69 1otf n LEU 32 Ca 0.02 -0.11 -0.19 0.00 -0.03 0.00 0.00 56.01 55.70 1otf n LEU 32 Cb 0.11 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1otf n LEU 32 CO 0.37 0.15 0.02 0.47 -1.33 0.00 0.00 177.39 177.07 1otf n ASP 33 N -1.18 -3.50 -4.48 -1.43 8.00 0.09 -5.00 116.55 109.05 1otf n ASP 33 Ca 0.08 -0.75 -0.30 0.00 0.71 0.00 0.00 54.79 54.53 1otf n ASP 33 Cb 0.34 -4.66 -0.12 0.00 -0.02 0.00 0.00 41.12 36.66 1otf n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1otf s ALA 34 N -3.47 2.65 0.19 2.24 0.00 -0.30 -5.03 121.76 118.04 1otf s ALA 34 Ca 0.19 -1.28 -0.32 0.00 0.00 0.00 0.00 51.96 50.55 1otf s ALA 34 Cb -0.04 -0.70 -0.16 0.00 0.00 0.00 0.00 23.12 22.23 1otf s ALA 34 CO 0.77 0.59 1.06 -2.30 0.00 0.00 0.00 175.76 175.88 1otf n PRO 35 N 1.14 1.00 0.22 0.00 -0.01 -1.26 -4.49 135.00 131.60 1otf n PRO 35 Ca -0.16 0.35 0.06 0.00 -0.01 0.00 0.00 63.50 63.75 1otf n PRO 35 Cb 0.52 -1.77 0.56 0.00 -0.01 0.00 0.00 33.50 32.80 1otf n PRO 35 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 175.50 176.74 1otf h LEU 36 N 2.84 0.04 -1.56 2.45 5.85 -1.92 -1.43 115.31 121.57 1otf h LEU 36 Ca -0.41 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1otf h LEU 36 Cb 1.36 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 1otf h LEU 36 CO 0.67 0.12 -0.10 1.05 -0.34 0.00 0.00 178.44 179.83 1otf h GLU 37 N 0.04 0.00 -0.00 1.25 4.11 -1.98 -3.06 114.58 114.94 1otf h GLU 37 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1otf h GLU 37 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1otf h GLU 37 CO 0.01 0.10 -0.65 -2.13 0.07 0.00 0.00 179.01 176.41 1otf n ARG 38 N -3.30 0.24 -2.01 1.06 3.00 -0.54 -4.92 116.66 110.19 1otf n ARG 38 Ca -0.00 -0.17 -0.42 0.00 -0.00 0.00 0.00 57.85 57.26 1otf n ARG 38 Cb 0.31 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.25 1otf n ARG 38 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1otf s VAL 39 N -2.88 2.78 -0.05 5.15 1.01 -1.16 -4.23 120.40 121.03 1otf s VAL 39 Ca 0.12 0.58 0.05 0.00 0.00 0.00 0.00 61.98 62.74 1otf s VAL 39 Cb 0.17 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1otf s VAL 39 CO 0.72 0.06 -0.21 -0.13 0.00 0.00 0.00 175.10 175.55 1otf s ARG 40 N 0.69 2.45 -0.02 2.72 1.81 -1.06 -5.02 118.95 120.52 1otf s ARG 40 Ca 0.66 -0.82 0.05 0.00 -1.72 0.00 0.00 55.73 53.89 1otf s ARG 40 Cb -0.42 -2.23 -0.01 0.00 -0.45 0.00 0.00 34.95 31.84 1otf s ARG 40 CO 0.34 0.51 -0.16 0.08 -0.68 0.00 0.00 175.30 175.40 1otf s VAL 41 N -0.47 1.27 -0.11 3.52 1.01 -1.26 -1.78 120.40 122.58 1otf s VAL 41 Ca 0.06 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1otf s VAL 41 Cb -0.12 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1otf s VAL 41 CO 0.01 0.36 -0.18 -0.76 0.00 0.00 0.00 175.10 174.54 1otf s LEU 42 N -0.28 1.87 -0.25 3.92 1.43 -0.48 -4.96 118.68 119.93 1otf s LEU 42 Ca 0.04 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.56 1otf s LEU 42 Cb -0.07 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1otf s LEU 42 CO -0.00 0.05 0.14 -0.63 0.23 0.00 0.00 176.35 176.14 1otf s ILE 43 N 0.83 5.03 -0.45 -0.59 1.01 -1.26 0.18 121.20 125.96 1otf s ILE 43 Ca -0.09 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.64 1otf s ILE 43 Cb -0.16 -3.35 0.12 0.00 0.01 0.00 0.00 42.46 39.08 1otf s ILE 43 CO 0.00 0.33 0.20 -0.89 0.00 0.00 0.00 174.94 174.58 1otf s THR 44 N 1.31 2.79 0.04 2.92 2.01 0.35 -4.94 115.64 120.12 1otf s THR 44 Ca 0.06 -2.64 -0.21 0.00 0.31 0.00 0.00 61.69 59.22 1otf s THR 44 Cb -0.15 -2.95 -0.06 0.00 0.01 0.00 0.00 72.50 69.36 1otf s THR 44 CO 0.06 -0.71 0.61 -0.70 -0.69 0.00 0.00 174.62 173.19 1otf s GLU 45 N 0.49 4.31 0.03 4.92 2.12 -1.26 -1.51 118.70 127.81 1otf s GLU 45 Ca 0.13 0.79 0.00 0.00 0.36 0.00 0.00 54.97 56.25 1otf s GLU 45 Cb -0.22 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 1otf s GLU 45 CO -0.04 0.46 -0.04 0.00 -0.54 0.00 0.00 175.26 175.10 1otf s MET 46 N -0.53 0.44 0.69 4.30 0.23 0.07 -4.91 119.30 119.59 1otf s MET 46 Ca 0.31 -0.80 -0.17 0.00 -1.03 0.00 0.00 55.69 54.00 1otf s MET 46 Cb -0.19 0.04 -0.01 0.00 -1.53 0.00 0.00 34.83 33.13 1otf s MET 46 CO 0.19 -0.04 0.92 -2.30 -2.03 0.00 0.00 175.02 171.75 1otf n PRO 47 N 1.18 0.59 -0.14 3.16 -0.02 -1.26 -0.48 135.00 138.03 1otf n PRO 47 Ca -0.21 0.25 0.07 0.00 -2.02 0.00 0.00 63.50 61.59 1otf n PRO 47 Cb 0.56 -2.16 0.39 0.00 -0.02 0.00 0.00 33.50 32.27 1otf n PRO 47 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1otf h LYS 48 N -0.06 0.65 -0.07 -0.52 1.63 -1.95 0.58 116.57 116.84 1otf h LYS 48 Ca -0.48 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1otf h LYS 48 Cb 1.35 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1otf h LYS 48 CO 0.47 0.43 0.00 0.27 -3.45 0.00 0.00 179.45 177.18 1otf n ASN 49 N -4.48 0.51 -1.26 4.20 6.94 -1.26 -2.57 115.26 117.35 1otf n ASN 49 Ca 0.09 -1.66 0.11 0.00 -0.02 0.00 0.00 54.58 53.11 1otf n ASN 49 Cb 0.23 -0.04 0.30 0.00 -2.36 0.00 0.00 39.78 37.90 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 -0.38 0.88 -4.03 -2.53 8.25 0.19 -4.82 115.22 112.79 1otf n HIS 50 Ca 0.11 -0.48 -0.31 0.00 -0.26 0.00 0.00 57.72 56.78 1otf n HIS 50 Cb 0.13 -0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.04 2.58 -0.12 4.41 5.36 -1.06 -5.00 117.98 123.12 1otf s PHE 51 Ca 0.45 -1.69 -0.03 0.00 -0.96 0.00 0.00 56.93 54.71 1otf s PHE 51 Cb 0.24 -1.72 -0.03 0.00 -0.34 0.00 0.00 43.02 41.17 1otf s PHE 51 CO 0.31 -0.77 -0.02 0.20 -1.46 0.00 0.00 175.22 173.48 1otf s GLY 52 N 1.34 1.77 -0.28 13.12 0.00 -1.26 0.25 107.32 122.26 1otf s GLY 52 Ca -0.01 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.91 1otf s GLY 52 CO -0.09 -0.33 -0.04 -0.42 0.00 0.00 0.00 173.10 172.23 1otf s ILE 53 N -0.25 1.91 -1.60 0.90 1.01 0.16 -4.74 121.20 118.59 1otf s ILE 53 Ca 0.05 -1.67 -0.15 0.00 0.00 0.00 0.00 60.65 58.88 1otf s ILE 53 Cb -0.13 -2.19 0.11 0.00 0.01 0.00 0.00 42.46 40.27 1otf s ILE 53 CO 0.02 -0.24 0.87 0.61 0.00 0.00 0.00 174.94 176.20 1otf n GLY 54 N 4.49 -0.46 0.77 6.18 0.00 -1.26 -1.56 105.19 113.35 1otf n GLY 54 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.57 0.69 3.31 -0.02 0.00 -1.26 -5.07 105.19 101.27 1otf n GLY 55 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.74 2.19 0.47 1.61 0.41 -0.60 -5.07 118.70 116.96 1otf s GLU 56 Ca 0.00 -0.91 -0.23 0.00 -0.41 0.00 0.00 54.97 53.41 1otf s GLU 56 Cb 0.00 -2.07 -0.07 0.00 -1.78 0.00 0.00 34.13 30.21 1otf s GLU 56 CO 0.00 0.54 1.24 -1.25 -0.49 0.00 0.00 175.26 175.30 1otf s PRO 57 N -0.56 3.64 0.27 0.39 0.04 -1.26 0.37 135.00 137.89 1otf s PRO 57 Ca 0.08 1.97 -0.00 0.00 0.04 0.00 0.00 61.00 63.10 1otf s PRO 57 Cb -0.10 -2.44 0.55 0.00 0.04 0.00 0.00 34.50 32.54 1otf s PRO 57 CO -0.00 -0.71 1.78 0.00 0.04 0.00 0.00 177.00 178.11 1otf h ALA 58 N 2.03 1.35 -0.80 8.56 0.00 0.33 0.16 119.26 130.89 1otf h ALA 58 Ca -0.50 0.07 0.21 0.00 0.00 0.00 0.00 54.91 54.69 1otf h ALA 58 Cb 1.26 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1otf h ALA 58 CO 0.60 -0.03 0.56 0.66 0.00 0.00 0.00 179.25 181.04 1otf h SER 59 N 0.71 0.18 0.00 0.00 4.64 -1.80 -3.49 113.55 113.79 1otf h SER 59 Ca 0.48 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1otf h SER 59 Cb 0.64 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1otf h SER 59 CO -0.34 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 175.99