#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 1.47 -0.09 0.52 1.01 -1.26 -1.85 121.20 121.01 1otf s ILE 3 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1otf s ILE 3 Cb 0.00 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.23 1otf s ILE 3 CO 0.00 0.35 -0.21 0.00 0.00 0.00 0.00 174.94 175.08 1otf s ALA 4 N -0.52 1.94 -0.22 9.38 0.00 -0.29 -4.98 121.76 127.07 1otf s ALA 4 Ca 0.07 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 1otf s ALA 4 Cb -0.07 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 1otf s ALA 4 CO -0.00 0.26 0.01 -1.14 0.00 0.00 0.00 175.76 174.89 1otf s GLN 5 N 0.36 3.54 -0.23 0.00 0.74 -1.26 -0.58 119.66 122.23 1otf s GLN 5 Ca -0.16 -0.54 -0.06 0.00 0.05 0.00 0.00 55.36 54.64 1otf s GLN 5 Cb -0.17 -3.13 -0.03 0.00 1.10 0.00 0.00 33.01 30.78 1otf s GLN 5 CO 0.07 -0.13 0.04 -0.51 -0.55 0.00 0.00 175.29 174.22 1otf s LEU 6 N 1.36 3.38 -0.52 3.68 1.43 0.13 -4.97 118.68 123.18 1otf s LEU 6 Ca 0.05 -0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 1otf s LEU 6 Cb -0.15 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 44.26 1otf s LEU 6 CO 0.01 0.01 0.60 -0.31 0.23 0.00 0.00 176.35 176.89 1otf s TYR 7 N 1.34 3.08 0.13 0.29 2.02 -1.26 0.18 117.35 123.12 1otf s TYR 7 Ca 0.05 -0.72 0.06 0.00 -0.37 0.00 0.00 57.07 56.09 1otf s TYR 7 Cb -0.15 -3.59 -0.04 0.00 -0.40 0.00 0.00 41.96 37.78 1otf s TYR 7 CO 0.02 -1.05 -0.15 0.96 -1.57 0.00 0.00 175.55 173.76 1otf s ILE 8 N 2.45 1.42 0.16 2.71 -4.36 -1.05 -4.99 121.20 117.53 1otf s ILE 8 Ca 0.12 -1.73 -0.30 0.00 -0.26 0.00 0.00 60.65 58.48 1otf s ILE 8 Cb -0.21 -1.57 -0.07 0.00 1.25 0.00 0.00 42.46 41.86 1otf s ILE 8 CO 0.09 -0.38 0.98 -0.63 0.24 0.00 0.00 174.94 175.24 1otf s ILE 9 N -2.06 4.26 0.43 8.37 -1.09 -1.26 -0.88 121.20 128.97 1otf s ILE 9 Ca 0.10 2.00 -0.20 0.00 -2.23 0.00 0.00 60.65 60.31 1otf s ILE 9 Cb -0.05 -4.27 -0.15 0.00 -1.58 0.00 0.00 42.46 36.40 1otf s ILE 9 CO 0.04 0.37 0.02 1.21 -1.23 0.00 0.00 174.94 175.34 1otf n GLU 10 N 2.31 0.00 0.00 2.79 2.13 0.37 -4.45 120.64 123.79 1otf n GLU 10 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1otf n GLU 10 Cb 0.48 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 31.20 1otf n GLU 10 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1otf n GLY 11 N 2.35 0.91 3.95 8.31 0.00 -1.26 -4.92 105.19 114.53 1otf n GLY 11 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 3.44 0.71 1.61 3.00 -1.26 -5.09 118.95 121.36 1otf s ARG 12 Ca 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 55.73 55.22 1otf s ARG 12 Cb 0.00 -2.71 0.08 0.00 0.00 0.00 0.00 34.95 32.32 1otf s ARG 12 CO 0.00 0.18 1.01 0.95 0.00 0.00 0.00 175.30 177.44 1otf s THR 13 N -2.26 2.28 0.32 0.02 -4.23 -1.26 -4.95 115.64 105.56 1otf s THR 13 Ca 0.39 -0.33 0.23 0.00 -1.18 0.00 0.00 61.69 60.81 1otf s THR 13 Cb -0.09 -2.95 0.23 0.00 1.34 0.00 0.00 72.50 71.02 1otf s THR 13 CO 0.35 0.00 1.94 0.44 -0.54 0.00 0.00 174.62 176.81 1otf h ASP 14 N -0.60 0.00 0.99 3.99 3.32 -2.00 -2.45 116.42 119.68 1otf h ASP 14 Ca -0.43 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.41 1otf h ASP 14 Cb 1.30 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 1otf h ASP 14 CO 0.56 0.21 -1.01 -0.08 -1.72 0.00 0.00 179.24 177.20 1otf h GLU 15 N 0.00 0.00 -0.20 3.56 4.81 -1.99 -2.43 114.58 118.33 1otf h GLU 15 Ca -0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1otf h GLU 15 Cb 0.53 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1otf h GLU 15 CO 0.03 0.98 -0.46 1.96 -0.73 0.00 0.00 179.01 180.79 1otf h GLN 16 N 0.00 0.51 -0.33 1.92 4.20 -1.86 -2.70 115.11 116.85 1otf h GLN 16 Ca -0.02 -0.28 -0.11 0.00 0.06 0.00 0.00 58.65 58.30 1otf h GLN 16 Cb 1.77 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.55 1otf h GLN 16 CO 0.13 0.87 -0.24 0.87 -0.67 0.00 0.00 178.83 179.79 1otf h LYS 17 N 0.41 0.64 -0.37 1.46 1.57 -1.35 -1.85 116.57 117.08 1otf h LYS 17 Ca 0.02 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.43 1otf h LYS 17 Cb 0.97 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1otf h LYS 17 CO 0.09 0.83 -0.26 1.49 -0.57 0.00 0.00 179.45 181.02 1otf h GLU 18 N 0.57 0.76 -0.13 3.15 4.81 -1.36 -1.38 114.58 120.99 1otf h GLU 18 Ca 0.08 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1otf h GLU 18 Cb 0.71 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1otf h GLU 18 CO 0.05 0.94 -0.00 1.15 -0.73 0.00 0.00 179.01 180.42 1otf h THR 19 N 0.66 1.25 -0.66 0.32 2.02 -1.36 -1.46 112.91 113.68 1otf h THR 19 Ca 0.08 -0.83 0.07 0.00 0.77 0.00 0.00 66.41 66.51 1otf h THR 19 Cb 0.78 1.54 -0.06 0.00 -1.74 0.00 0.00 68.15 68.68 1otf h THR 19 CO 0.06 0.24 0.34 0.25 0.37 0.00 0.00 175.52 176.79 1otf h LEU 20 N -0.03 0.47 -0.23 2.58 5.85 -1.17 -0.29 115.31 122.49 1otf h LEU 20 Ca 0.04 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1otf h LEU 20 Cb 0.37 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1otf h LEU 20 CO 0.01 0.30 0.13 0.40 -0.34 0.00 0.00 178.44 178.93 1otf h ILE 21 N 0.61 1.12 -0.26 4.05 2.04 -1.17 -0.70 117.51 123.19 1otf h ILE 21 Ca 0.31 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1otf h ILE 21 Cb 0.25 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1otf h ILE 21 CO -0.22 0.11 0.00 -0.09 0.00 0.00 0.00 178.15 177.96 1otf h ARG 22 N 0.26 0.46 -0.36 2.37 2.43 -0.71 -1.71 114.38 117.13 1otf h ARG 22 Ca 0.08 -0.14 -0.17 0.00 -0.81 0.00 0.00 59.98 58.94 1otf h ARG 22 Cb 0.07 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1otf h ARG 22 CO -0.01 0.62 -0.44 1.96 -1.51 0.00 0.00 179.97 180.59 1otf h GLN 23 N 0.24 0.93 -0.51 0.20 4.20 -1.03 -1.50 115.11 117.63 1otf h GLN 23 Ca 0.07 -0.52 -0.11 0.00 0.06 0.00 0.00 58.65 58.16 1otf h GLN 23 Cb 0.41 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1otf h GLN 23 CO 0.01 1.17 -0.11 0.28 -0.67 0.00 0.00 178.83 179.52 1otf h VAL 24 N 0.74 1.27 0.03 -0.54 2.07 -1.16 -1.65 116.25 117.02 1otf h VAL 24 Ca 0.05 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 1otf h VAL 24 Cb 1.04 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1otf h VAL 24 CO 0.10 0.44 -0.02 0.28 0.02 0.00 0.00 177.57 178.40 1otf h SER 25 N 0.84 -0.04 -0.14 0.57 0.02 -1.26 -2.40 113.55 111.14 1otf h SER 25 Ca 0.13 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1otf h SER 25 Cb 0.67 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.15 1otf h SER 25 CO 0.05 0.01 -0.52 -0.33 -1.14 0.00 0.00 176.83 174.91 1otf h GLU 26 N -0.09 -0.54 -0.97 3.45 4.39 -1.20 -0.54 114.58 119.09 1otf h GLU 26 Ca -0.00 0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.92 1otf h GLU 26 Cb 0.08 0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 28.76 1otf h GLU 26 CO 0.01 -0.36 0.61 0.00 -1.16 0.00 0.00 179.01 178.11 1otf h ALA 27 N -0.18 1.87 -0.12 3.43 0.00 -1.20 -1.89 119.26 121.16 1otf h ALA 27 Ca 0.05 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1otf h ALA 27 Cb 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1otf h ALA 27 CO -0.44 -0.20 -0.39 0.52 0.00 0.00 0.00 179.25 178.74 1otf h MET 28 N 0.65 0.49 -0.61 0.00 2.86 -1.06 0.28 114.93 117.53 1otf h MET 28 Ca 0.53 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1otf h MET 28 Cb 0.98 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.67 1otf h MET 28 CO -0.29 0.98 0.40 0.00 1.06 0.00 0.00 176.91 179.05 1otf h ALA 29 N 0.51 0.77 0.07 6.32 0.00 -0.71 -2.60 119.26 123.62 1otf h ALA 29 Ca -0.01 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 1otf h ALA 29 Cb 1.02 -0.25 0.03 0.00 0.00 0.00 0.00 17.79 18.58 1otf h ALA 29 CO 0.08 0.22 -1.16 -0.91 0.00 0.00 0.00 179.25 177.48 1otf h ASN 30 N 0.83 0.89 0.61 0.00 2.35 -1.37 -1.25 115.58 117.64 1otf h ASN 30 Ca 0.22 -0.78 -0.19 0.00 -0.55 0.00 0.00 56.30 55.01 1otf h ASN 30 Cb -0.08 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.00 1otf h ASN 30 CO -0.05 1.58 -0.83 0.28 -1.65 0.00 0.00 177.43 176.76 1otf h SER 31 N 0.33 0.20 0.08 5.81 0.02 -0.90 -3.32 113.55 115.77 1otf h SER 31 Ca -0.16 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1otf h SER 31 Cb 1.82 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.30 1otf h SER 31 CO 0.22 0.94 -1.03 0.18 -1.14 0.00 0.00 176.83 176.01 1otf n LEU 32 N -3.66 0.84 -3.26 5.07 4.77 -0.99 -5.00 117.00 114.78 1otf n LEU 32 Ca -0.03 -0.38 -0.16 0.00 -0.03 0.00 0.00 56.01 55.42 1otf n LEU 32 Cb 0.78 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.92 1otf n LEU 32 CO 0.47 0.20 0.09 0.47 -1.33 0.00 0.00 177.39 177.29 1otf n ASP 33 N -1.59 -2.56 -4.26 -1.43 8.00 -0.54 -5.02 116.55 109.17 1otf n ASP 33 Ca 0.03 -0.59 -0.29 0.00 0.71 0.00 0.00 54.79 54.66 1otf n ASP 33 Cb 0.36 -4.84 -0.16 0.00 -0.02 0.00 0.00 41.12 36.46 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 -3.34 1.91 0.18 2.24 0.00 -0.82 -5.06 121.76 116.88 1otf s ALA 34 Ca 0.05 -0.99 -0.33 0.00 0.00 0.00 0.00 51.96 50.69 1otf s ALA 34 Cb -0.01 -0.48 -0.13 0.00 0.00 0.00 0.00 23.12 22.50 1otf s ALA 34 CO 0.68 0.47 1.62 -2.30 0.00 0.00 0.00 175.76 176.23 1otf n PRO 35 N 2.50 2.37 -0.08 0.00 -0.02 -1.26 -4.45 135.00 134.05 1otf n PRO 35 Ca -0.16 0.85 0.12 0.00 -2.02 0.00 0.00 63.50 62.30 1otf n PRO 35 Cb 0.52 -2.65 0.49 0.00 -0.02 0.00 0.00 33.50 31.85 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 6.13 0.38 -0.89 2.45 5.85 -1.93 -0.68 115.31 126.62 1otf h LEU 36 Ca -0.44 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1otf h LEU 36 Cb 1.24 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1otf h LEU 36 CO 0.91 0.23 0.00 1.05 -0.34 0.00 0.00 178.44 180.28 1otf h GLU 37 N 0.42 0.00 -0.00 1.25 9.09 -1.99 -2.95 114.58 120.40 1otf h GLU 37 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.68 1otf h GLU 37 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 1otf h GLU 37 CO -0.08 0.00 -0.55 0.54 0.05 0.00 0.00 179.01 178.97 1otf n ARG 38 N -2.40 0.17 -2.17 1.06 1.74 -0.26 -4.92 116.66 109.88 1otf n ARG 38 Ca 0.02 -0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.56 1otf n ARG 38 Cb 0.23 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 1otf n ARG 38 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1otf s VAL 39 N -2.90 3.38 -0.04 1.55 1.01 -1.11 -4.00 120.40 118.29 1otf s VAL 39 Ca 0.13 0.95 0.07 0.00 0.00 0.00 0.00 61.98 63.13 1otf s VAL 39 Cb 0.18 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1otf s VAL 39 CO 0.70 0.06 -0.25 -0.13 0.00 0.00 0.00 175.10 175.47 1otf s ARG 40 N 1.42 2.31 -0.03 2.72 1.81 -0.77 -5.02 118.95 121.39 1otf s ARG 40 Ca 0.65 -0.92 0.06 0.00 -1.72 0.00 0.00 55.73 53.81 1otf s ARG 40 Cb -0.36 -2.10 -0.01 0.00 -0.45 0.00 0.00 34.95 32.03 1otf s ARG 40 CO 0.30 0.49 -0.22 0.08 -0.68 0.00 0.00 175.30 175.26 1otf s VAL 41 N -0.42 1.77 -0.12 3.52 1.01 -1.26 -1.14 120.40 123.76 1otf s VAL 41 Ca 0.04 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1otf s VAL 41 Cb -0.12 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.79 1otf s VAL 41 CO 0.01 0.50 -0.19 -0.76 0.00 0.00 0.00 175.10 174.66 1otf s LEU 42 N -0.40 1.92 -0.23 3.92 1.43 0.25 -4.94 118.68 120.62 1otf s LEU 42 Ca 0.05 -0.51 -0.09 0.00 -1.03 0.00 0.00 54.13 52.55 1otf s LEU 42 Cb -0.10 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1otf s LEU 42 CO 0.00 0.07 0.12 -0.63 0.23 0.00 0.00 176.35 176.14 1otf s ILE 43 N 0.79 4.99 -0.45 -0.59 1.01 -1.26 0.21 121.20 125.89 1otf s ILE 43 Ca -0.09 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 1otf s ILE 43 Cb -0.16 -3.32 0.12 0.00 0.01 0.00 0.00 42.46 39.12 1otf s ILE 43 CO 0.00 0.36 0.25 -0.89 0.00 0.00 0.00 174.94 174.66 1otf s THR 44 N 1.13 3.30 0.03 2.92 2.01 0.13 -4.93 115.64 120.23 1otf s THR 44 Ca 0.06 -2.30 -0.19 0.00 0.31 0.00 0.00 61.69 59.57 1otf s THR 44 Cb -0.14 -3.25 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 1otf s THR 44 CO 0.04 -0.73 0.54 -0.70 -0.69 0.00 0.00 174.62 173.09 1otf s GLU 45 N 0.83 4.19 0.09 4.92 2.12 -1.26 -2.54 118.70 127.05 1otf s GLU 45 Ca 0.10 0.67 0.02 0.00 0.36 0.00 0.00 54.97 56.12 1otf s GLU 45 Cb -0.22 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1otf s GLU 45 CO -0.04 0.57 -0.07 0.00 -0.54 0.00 0.00 175.26 175.18 1otf s MET 46 N -0.82 0.80 0.64 4.30 0.23 -0.06 -4.91 119.30 119.48 1otf s MET 46 Ca 0.28 -1.26 -0.17 0.00 -1.03 0.00 0.00 55.69 53.51 1otf s MET 46 Cb -0.19 -0.23 -0.01 0.00 -1.53 0.00 0.00 34.83 32.88 1otf s MET 46 CO 0.17 -0.01 1.18 -1.25 -2.03 0.00 0.00 175.02 173.08 1otf s PRO 47 N -3.54 2.75 0.44 3.16 0.05 -1.26 -0.48 135.00 136.12 1otf s PRO 47 Ca 0.09 1.69 0.12 0.00 0.05 0.00 0.00 61.00 62.95 1otf s PRO 47 Cb 0.03 -1.92 1.00 0.00 0.05 0.00 0.00 34.50 33.67 1otf s PRO 47 CO -0.04 -1.34 2.03 -0.22 0.05 0.00 0.00 177.00 177.47 1otf h LYS 48 N 0.42 0.40 -0.03 4.56 3.64 -1.96 -2.01 116.57 121.60 1otf h LYS 48 Ca -0.49 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1otf h LYS 48 Cb 1.28 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1otf h LYS 48 CO 0.54 0.26 0.00 0.27 -2.27 0.00 0.00 179.45 178.25 1otf n ASN 49 N -4.48 0.23 -1.00 4.20 6.94 -1.26 -2.81 115.26 117.08 1otf n ASN 49 Ca 0.06 -1.65 0.12 0.00 -0.02 0.00 0.00 54.58 53.09 1otf n ASN 49 Cb 0.23 -0.02 0.16 0.00 -2.36 0.00 0.00 39.78 37.80 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 -0.55 0.18 -4.47 -2.53 8.25 -0.75 -4.83 115.22 110.52 1otf n HIS 50 Ca 0.10 -0.09 -0.31 0.00 -0.26 0.00 0.00 57.72 57.16 1otf n HIS 50 Cb 0.08 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.82 2.33 -0.01 4.41 5.36 -1.12 -5.00 117.98 122.13 1otf s PHE 51 Ca 0.32 -1.18 0.07 0.00 -0.96 0.00 0.00 56.93 55.18 1otf s PHE 51 Cb 0.21 -1.64 -0.02 0.00 -0.34 0.00 0.00 43.02 41.23 1otf s PHE 51 CO 0.31 -0.58 -0.21 0.20 -1.46 0.00 0.00 175.22 173.48 1otf s GLY 52 N 0.99 1.42 -0.15 13.12 0.00 -1.26 0.14 107.32 121.58 1otf s GLY 52 Ca -0.05 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1otf s GLY 52 CO -0.04 -0.93 -0.11 -0.42 0.00 0.00 0.00 173.10 171.61 1otf s ILE 53 N -0.72 1.42 -1.23 0.90 1.09 0.89 -4.76 121.20 118.78 1otf s ILE 53 Ca 0.11 -0.62 -0.12 0.00 -1.10 0.00 0.00 60.65 58.92 1otf s ILE 53 Cb -0.10 -1.40 0.11 0.00 -1.06 0.00 0.00 42.46 40.00 1otf s ILE 53 CO 0.01 0.35 0.45 0.61 -0.10 0.00 0.00 174.94 176.26 1otf n GLY 54 N 4.81 -0.46 0.42 6.18 0.00 -1.26 -2.39 105.19 112.48 1otf n GLY 54 Ca -0.15 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.04 0.67 3.20 -0.02 0.00 -1.26 -5.07 105.19 101.66 1otf n GLY 55 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.85 1.22 0.65 1.61 0.41 -1.00 -5.09 118.70 115.64 1otf s GLU 56 Ca 0.00 -0.82 -0.18 0.00 -0.41 0.00 0.00 54.97 53.56 1otf s GLU 56 Cb 0.00 -1.27 -0.02 0.00 -1.78 0.00 0.00 34.13 31.07 1otf s GLU 56 CO 0.00 0.32 1.21 -0.35 -0.49 0.00 0.00 175.26 175.96 1otf n PRO 57 N 1.99 1.03 -0.04 0.39 -0.04 -1.26 -0.08 135.00 137.00 1otf n PRO 57 Ca -0.17 0.41 -0.09 0.00 -0.04 0.00 0.00 63.50 63.60 1otf n PRO 57 Cb 0.54 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.52 1otf n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1otf h ALA 58 N 0.46 0.20 0.00 0.55 0.00 0.12 -0.05 119.26 120.54 1otf h ALA 58 Ca -0.50 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1otf h ALA 58 Cb 1.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1otf h ALA 58 CO 0.52 -0.37 0.39 0.66 0.00 0.00 0.00 179.25 180.45 1otf h SER 59 N 0.14 0.00 0.00 0.00 4.64 -1.82 -3.50 113.55 113.02 1otf h SER 59 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1otf h SER 59 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1otf h SER 59 CO -0.09 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.04