#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mwq n HIS 0 N 0.00 0.00 -4.20 0.66 8.25 -1.26 -5.17 115.22 113.50 1mwq n HIS 0 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 1mwq n HIS 0 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 1mwq n HIS 0 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1mwq s TYR 2 N 0.00 1.16 0.01 4.41 1.51 -1.25 -4.90 117.35 118.29 1mwq s TYR 2 Ca 0.00 -0.63 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1mwq s TYR 2 Cb 0.00 -0.62 -0.01 0.00 -0.11 0.00 0.00 41.96 41.21 1mwq s TYR 2 CO 0.00 0.04 -0.04 0.71 -1.11 0.00 0.00 175.55 175.15 1mwq s TYR 3 N -2.37 0.35 -0.17 2.71 1.51 0.05 -0.91 117.35 118.53 1mwq s TYR 3 Ca 0.07 -0.28 -0.09 0.00 -1.01 0.00 0.00 57.07 55.76 1mwq s TYR 3 Cb -0.03 -0.23 -0.05 0.00 -0.11 0.00 0.00 41.96 41.54 1mwq s TYR 3 CO 0.01 -0.07 0.13 0.08 -1.11 0.00 0.00 175.55 174.58 1mwq s VAL 4 N -0.75 5.38 -0.23 0.71 1.01 -0.06 -1.81 120.40 124.64 1mwq s VAL 4 Ca -0.06 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 1mwq s VAL 4 Cb -0.06 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.94 1mwq s VAL 4 CO -0.00 0.50 -0.10 -0.63 0.00 0.00 0.00 175.10 174.87 1mwq s ILE 5 N -0.08 2.64 -0.44 2.22 1.01 0.07 -1.24 121.20 125.38 1mwq s ILE 5 Ca 0.10 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1mwq s ILE 5 Cb -0.11 -2.31 0.12 0.00 0.01 0.00 0.00 42.46 40.16 1mwq s ILE 5 CO 0.00 0.26 0.20 0.12 0.00 0.00 0.00 174.94 175.52 1mwq s PHE 6 N 1.30 3.54 0.07 3.97 5.99 0.43 -1.17 117.98 132.10 1mwq s PHE 6 Ca 0.00 -2.85 -0.15 0.00 0.00 0.00 0.00 56.93 53.94 1mwq s PHE 6 Cb -0.16 -3.03 -0.06 0.00 0.00 0.00 0.00 43.02 39.77 1mwq s PHE 6 CO -0.06 -0.89 0.48 0.00 -0.00 0.00 0.00 175.22 174.74 1mwq s ALA 7 N 0.56 3.65 -0.12 11.12 0.00 -0.20 -1.18 121.76 135.59 1mwq s ALA 7 Ca 0.12 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.93 1mwq s ALA 7 Cb -0.22 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.43 1mwq s ALA 7 CO -0.05 0.47 -0.17 -0.65 0.00 0.00 0.00 175.76 175.37 1mwq s GLN 8 N -1.45 3.23 0.34 0.00 -1.52 -0.19 -1.72 119.66 118.35 1mwq s GLN 8 Ca 0.30 -0.75 -0.17 0.00 -1.95 0.00 0.00 55.36 52.79 1mwq s GLN 8 Cb -0.16 -2.51 -0.09 0.00 -0.22 0.00 0.00 33.01 30.02 1mwq s GLN 8 CO 0.17 0.22 0.79 -0.51 -0.25 0.00 0.00 175.29 175.71 1mwq s ASP 9 N 0.29 6.84 0.22 5.90 1.11 -0.10 -0.02 116.67 130.92 1mwq s ASP 9 Ca -0.12 1.40 -0.30 0.00 0.18 0.00 0.00 52.55 53.70 1mwq s ASP 9 Cb -0.16 -2.42 -0.09 0.00 1.07 0.00 0.00 42.92 41.31 1mwq s ASP 9 CO 0.06 -0.22 1.40 -0.63 1.18 0.00 0.00 175.17 176.96 1mwq s ILE 10 N -1.99 2.88 0.65 0.77 1.01 0.35 -4.55 121.20 120.32 1mwq s ILE 10 Ca 0.55 0.72 -0.18 0.00 0.00 0.00 0.00 60.65 61.74 1mwq s ILE 10 Cb -0.11 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1mwq s ILE 10 CO 0.17 0.11 1.28 -2.65 0.00 0.00 0.00 174.94 173.84 1mwq n PRO 11 N 2.63 1.07 -3.30 2.79 -0.02 -1.26 -3.79 135.00 133.11 1mwq n PRO 11 Ca 0.07 0.42 -0.17 0.00 -2.02 0.00 0.00 63.50 61.80 1mwq n PRO 11 Cb 0.41 -2.52 0.07 0.00 -0.02 0.00 0.00 33.50 31.44 1mwq n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1mwq n ASN 12 N -1.92 -4.38 -0.37 2.55 5.03 -1.26 -4.94 115.26 109.97 1mwq n ASN 12 Ca 0.16 -0.45 0.08 0.00 0.87 0.00 0.00 54.58 55.23 1mwq n ASN 12 Cb 0.48 -4.16 0.16 0.00 -1.02 0.00 0.00 39.78 35.24 1mwq n ASN 12 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1mwq n THR 13 N -4.19 1.86 -0.15 3.41 -2.24 -1.25 -4.84 114.28 106.88 1mwq n THR 13 Ca -0.07 -2.52 -0.03 0.00 -2.27 0.00 0.00 64.05 59.16 1mwq n THR 13 Cb 0.58 -0.16 0.06 0.00 -2.10 0.00 0.00 70.33 68.71 1mwq n THR 13 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1mwq h LEU 14 N 0.45 0.04 -0.87 3.22 5.85 -1.92 -0.86 115.31 121.22 1mwq h LEU 14 Ca -0.01 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1mwq h LEU 14 Cb 1.05 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1mwq h LEU 14 CO 0.00 0.05 0.47 -0.08 -0.34 0.00 0.00 178.44 178.54 1mwq h GLU 15 N 0.25 1.22 -0.54 1.25 4.81 -2.00 -0.61 114.58 118.96 1mwq h GLU 15 Ca 0.23 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1mwq h GLU 15 Cb 0.29 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1mwq h GLU 15 CO -0.29 0.90 0.17 0.87 -0.73 0.00 0.00 179.01 179.93 1mwq h LYS 16 N 1.22 0.84 -0.85 1.92 1.57 -1.81 -0.90 116.57 118.54 1mwq h LYS 16 Ca 0.30 -0.18 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 1mwq h LYS 16 Cb 0.04 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.17 1mwq h LYS 16 CO -0.05 0.76 0.53 -0.09 -0.57 0.00 0.00 179.45 180.04 1mwq h ARG 17 N 0.75 0.96 -0.26 3.15 2.43 -0.66 -1.27 114.38 119.47 1mwq h ARG 17 Ca 0.17 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.10 1mwq h ARG 17 Cb 0.27 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1mwq h ARG 17 CO -0.01 0.64 -0.57 -0.07 -1.51 0.00 0.00 179.97 178.45 1mwq h LEU 18 N 0.99 0.92 -1.02 3.80 3.38 -0.86 -2.48 115.31 120.03 1mwq h LEU 18 Ca 0.36 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1mwq h LEU 18 Cb 0.13 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1mwq h LEU 18 CO -0.16 1.29 -0.21 0.00 0.09 0.00 0.00 178.44 179.46 1mwq h ALA 19 N 0.72 1.18 -0.19 1.53 0.00 -0.80 -2.88 119.26 118.81 1mwq h ALA 19 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1mwq h ALA 19 Cb 1.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1mwq h ALA 19 CO 0.12 0.52 0.00 0.28 0.00 0.00 0.00 179.25 180.18 1mwq n VAL 20 N -4.15 0.23 -0.23 0.00 0.31 -0.51 -4.49 118.33 109.49 1mwq n VAL 20 Ca -0.00 -0.53 -0.04 0.00 -0.01 0.00 0.00 64.34 63.76 1mwq n VAL 20 Cb 0.37 0.94 0.06 0.00 -0.91 0.00 0.00 33.84 34.30 1mwq n VAL 20 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1mwq h ARG 21 N 3.80 0.80 -0.41 5.55 2.43 -1.21 -1.70 114.38 123.65 1mwq h ARG 21 Ca 0.00 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1mwq h ARG 21 Cb 0.82 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1mwq h ARG 21 CO 0.00 0.53 0.21 1.49 -1.51 0.00 0.00 179.97 180.69 1mwq h GLU 22 N 0.83 0.42 -0.17 0.20 4.81 -1.80 0.13 114.58 118.99 1mwq h GLU 22 Ca 0.25 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.32 1mwq h GLU 22 Cb -0.02 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1mwq h GLU 22 CO -0.09 0.28 -0.48 1.96 -0.73 0.00 0.00 179.01 179.95 1mwq h GLN 23 N 0.43 0.45 -0.18 1.92 1.08 -1.82 -1.83 115.11 115.16 1mwq h GLN 23 Ca 0.17 -0.25 0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1mwq h GLN 23 Cb 0.06 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1mwq h GLN 23 CO -0.11 0.83 0.02 1.25 -0.95 0.00 0.00 178.83 179.88 1mwq h HIS 24 N 0.36 0.04 -0.59 2.96 2.76 -0.82 -2.90 115.15 116.96 1mwq h HIS 24 Ca 0.02 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1mwq h HIS 24 Cb 0.97 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 1mwq h HIS 24 CO 0.03 0.01 0.30 -0.07 -1.30 0.00 0.00 177.93 176.90 1mwq h LEU 25 N 0.09 0.73 -0.89 0.26 3.38 -0.56 -2.83 115.31 115.49 1mwq h LEU 25 Ca 0.08 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.08 1mwq h LEU 25 Cb 0.08 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 1mwq h LEU 25 CO -0.12 0.61 0.54 0.00 0.09 0.00 0.00 178.44 179.56 1mwq h ALA 26 N 1.51 1.27 -0.43 1.53 0.00 -1.12 -0.12 119.26 121.90 1mwq h ALA 26 Ca 0.21 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1mwq h ALA 26 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1mwq h ALA 26 CO -0.03 0.20 -0.23 0.00 0.00 0.00 0.00 179.25 179.19 1mwq h ARG 27 N 0.91 0.88 -0.37 0.00 3.08 -1.51 -2.20 114.38 115.18 1mwq h ARG 27 Ca 0.42 -0.37 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 1mwq h ARG 27 Cb 0.33 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1mwq h ARG 27 CO -0.23 1.02 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.46 1mwq h LEU 28 N 0.76 0.67 -1.17 3.04 -0.00 -1.40 -2.13 115.31 115.08 1mwq h LEU 28 Ca 0.10 -0.21 0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1mwq h LEU 28 Cb 0.78 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.21 1mwq h LEU 28 CO 0.06 0.84 0.54 0.11 -0.00 0.00 0.00 178.44 179.99 1mwq h LYS 29 N 0.60 1.09 -0.32 1.13 1.57 -0.80 -0.18 116.57 119.66 1mwq h LYS 29 Ca 0.10 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1mwq h LYS 29 Cb 0.61 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1mwq h LYS 29 CO 0.04 0.73 0.10 0.37 -0.57 0.00 0.00 179.45 180.12 1mwq h GLN 30 N 1.12 0.49 -0.99 3.15 4.15 -0.96 -0.19 115.11 121.89 1mwq h GLN 30 Ca 0.30 -0.11 0.04 0.00 0.77 0.00 0.00 58.65 59.66 1mwq h GLN 30 Cb -0.11 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.45 1mwq h GLN 30 CO -0.06 0.53 0.65 -0.07 -1.93 0.00 0.00 178.83 177.95 1mwq h LEU 31 N 0.35 1.07 -0.70 -2.39 3.38 -0.86 -1.40 115.31 114.76 1mwq h LEU 31 Ca 0.10 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1mwq h LEU 31 Cb 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1mwq h LEU 31 CO -0.00 0.72 0.30 -0.61 0.09 0.00 0.00 178.44 178.94 1mwq h GLN 32 N 1.23 1.03 -0.15 1.13 4.15 -0.82 -1.09 115.11 120.60 1mwq h GLN 32 Ca 0.40 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.63 1mwq h GLN 32 Cb 0.03 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1mwq h GLN 32 CO -0.13 0.83 0.02 0.00 -1.93 0.00 0.00 178.83 177.62 1mwq h ALA 33 N 1.14 1.77 0.00 3.38 0.00 -0.29 0.09 119.26 125.35 1mwq h ALA 33 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1mwq h ALA 33 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1mwq h ALA 33 CO -0.02 0.18 0.00 0.39 0.00 0.00 0.00 179.25 179.80 1mwq n GLU 34 N -4.43 0.72 -3.14 0.00 1.02 -0.60 -4.91 120.64 109.30 1mwq n GLU 34 Ca -0.01 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 56.91 1mwq n GLU 34 Cb 0.14 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.09 1mwq n GLU 34 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1mwq n ASN 35 N -1.12 -5.69 -0.27 1.62 5.15 0.02 -4.89 115.26 110.08 1mwq n ASN 35 Ca 0.19 -0.33 0.04 0.00 -0.60 0.00 0.00 54.58 53.87 1mwq n ASN 35 Cb 0.15 -4.60 0.02 0.00 -0.53 0.00 0.00 39.78 34.83 1mwq n ASN 35 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1mwq n ARG 36 N -4.06 0.60 -3.56 1.20 1.74 -0.45 -4.97 116.66 107.16 1mwq n ARG 36 Ca -0.08 -0.85 -0.40 0.00 -0.77 0.00 0.00 57.85 55.75 1mwq n ARG 36 Cb 0.60 -1.11 -0.11 0.00 -1.02 0.00 0.00 32.46 30.82 1mwq n ARG 36 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1mwq s LEU 37 N -0.83 4.41 -0.12 0.55 2.96 -1.21 -0.52 118.68 123.92 1mwq s LEU 37 Ca 0.08 -0.41 -0.18 0.00 -0.22 0.00 0.00 54.13 53.40 1mwq s LEU 37 Cb 0.06 -2.11 -0.16 0.00 0.50 0.00 0.00 46.19 44.48 1mwq s LEU 37 CO 0.12 -0.21 0.51 0.25 -1.32 0.00 0.00 176.35 175.69 1mwq h LEU 38 N 8.45 -0.01 -7.19 -0.68 6.46 -1.43 -3.47 115.31 117.45 1mwq h LEU 38 Ca -0.32 -0.61 0.00 0.00 -0.12 0.00 0.00 57.88 56.83 1mwq h LEU 38 Cb 1.16 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.98 1mwq h LEU 38 CO 0.62 0.79 0.23 0.28 -0.62 0.00 0.00 178.44 179.74 1mwq s THR 39 N -2.05 0.00 0.00 1.05 -1.32 -1.03 -5.00 115.64 107.29 1mwq s THR 39 Ca -0.12 -0.19 -0.29 0.00 -1.21 0.00 0.00 61.69 59.89 1mwq s THR 39 Cb -0.02 -1.19 0.07 0.00 -1.51 0.00 0.00 72.50 69.86 1mwq s THR 39 CO 0.44 0.00 0.67 0.00 -2.21 0.00 0.00 174.62 173.52 1mwq s ALA 40 N -3.75 -1.73 0.00 11.08 0.00 -1.26 -1.36 121.76 124.74 1mwq s ALA 40 Ca 0.03 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1mwq s ALA 40 Cb -0.02 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1mwq s ALA 40 CO -0.09 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1mwq n GLY 41 N 0.55 0.79 3.90 0.00 0.00 -0.79 -5.02 105.19 104.62 1mwq n GLY 41 Ca -0.18 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 1mwq n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mwq s PRO 42 N -2.00 2.97 -0.43 1.61 0.04 -1.26 -1.10 135.00 134.83 1mwq s PRO 42 Ca 0.00 0.29 -0.05 0.00 0.04 0.00 0.00 61.00 61.27 1mwq s PRO 42 Cb 0.00 -2.14 0.11 0.00 0.04 0.00 0.00 34.50 32.51 1mwq s PRO 42 CO 0.00 -0.83 0.25 -0.80 0.04 0.00 0.00 177.00 175.66 1mwq s ASN 43 N -4.31 5.42 0.49 6.66 -0.87 0.01 -4.82 114.94 117.52 1mwq s ASN 43 Ca 0.56 -1.94 -0.22 0.00 -1.57 0.00 0.00 52.86 49.68 1mwq s ASN 43 Cb -0.11 -1.90 -0.08 0.00 -0.02 0.00 0.00 41.25 39.14 1mwq s ASN 43 CO 0.49 -0.59 1.06 -2.65 -2.57 0.00 0.00 177.10 172.84 1mwq n PRO 44 N 4.72 1.32 0.09 -0.60 -0.02 -1.26 -0.80 135.00 138.44 1mwq n PRO 44 Ca -0.05 0.48 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 1mwq n PRO 44 Cb 0.41 -2.18 0.44 0.00 -0.02 0.00 0.00 33.50 32.15 1mwq n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mwq n ALA 45 N -0.91 2.29 -2.51 3.55 0.00 0.07 -4.64 120.51 118.35 1mwq n ALA 45 Ca 0.10 -0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 1mwq n ALA 45 Cb 0.42 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 18.30 1mwq n ALA 45 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1mwq s ILE 46 N -3.09 1.43 -1.44 0.00 -4.36 -1.26 -5.02 121.20 107.46 1mwq s ILE 46 Ca 0.11 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.38 1mwq s ILE 46 Cb 0.13 -2.83 0.05 0.00 1.25 0.00 0.00 42.46 41.06 1mwq s ILE 46 CO 0.59 0.00 2.28 -0.67 0.24 0.00 0.00 174.94 177.38 1mwq n ASP 47 N -0.81 5.05 -3.65 4.36 2.03 -1.26 -4.77 116.55 117.50 1mwq n ASP 47 Ca -0.04 -2.87 -0.07 0.00 0.52 0.00 0.00 54.79 52.34 1mwq n ASP 47 Cb 0.67 -1.60 -0.07 0.00 -0.72 0.00 0.00 41.12 39.40 1mwq n ASP 47 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1mwq s ASP 48 N 2.45 -0.89 0.59 1.67 -1.08 -1.26 -5.03 116.67 113.12 1mwq s ASP 48 Ca 0.49 1.42 0.33 0.00 -0.52 0.00 0.00 52.55 54.27 1mwq s ASP 48 Cb 0.14 1.44 1.84 0.00 -1.46 0.00 0.00 42.92 44.88 1mwq s ASP 48 CO -0.07 -0.23 2.22 -0.33 0.52 0.00 0.00 175.17 177.28 1mwq h GLU 49 N 7.21 0.00 -3.27 4.34 5.08 -2.00 -3.26 114.58 122.69 1mwq h GLU 49 Ca -0.29 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.42 1mwq h GLU 49 Cb 1.20 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.06 1mwq h GLU 49 CO 0.17 0.03 -0.44 -0.80 -1.00 0.00 0.00 179.01 176.97 1mwq s ASN 50 N -5.92 5.05 0.00 1.42 0.01 -1.26 -4.96 114.94 109.29 1mwq s ASN 50 Ca -0.04 -3.51 0.31 0.00 -0.71 0.00 0.00 52.86 48.91 1mwq s ASN 50 Cb 0.14 -1.73 1.86 0.00 0.41 0.00 0.00 41.25 41.92 1mwq s ASN 50 CO 0.53 -0.18 2.18 -0.81 -1.51 0.00 0.00 177.10 177.31 1mwq n PRO 51 N 2.50 0.97 0.00 -0.60 -0.04 -1.23 -4.99 135.00 131.61 1mwq n PRO 51 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1mwq n PRO 51 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1mwq n PRO 51 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1mwq n SER 52 N -1.00 0.00 0.24 3.54 7.64 -1.26 -2.05 113.62 120.72 1mwq n SER 52 Ca 0.23 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.27 1mwq n SER 52 Cb 0.11 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 63.98 1mwq n SER 52 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1mwq h GLU 53 N 0.00 0.00 0.00 1.43 3.07 -2.05 -1.25 114.58 115.77 1mwq h GLU 53 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1mwq h GLU 53 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1mwq h GLU 53 CO 0.00 0.00 -0.13 0.00 -1.40 0.00 0.00 179.01 177.48 1mwq h ALA 54 N 2.08 1.41 -0.80 3.43 0.00 -1.84 -3.48 119.26 120.07 1mwq h ALA 54 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1mwq h ALA 54 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1mwq h ALA 54 CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1mwq n GLY 55 N -0.83 1.02 3.28 0.00 0.00 -0.48 -4.61 105.19 103.57 1mwq n GLY 55 Ca -0.02 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 1mwq n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mwq s PHE 56 N 0.00 1.44 -1.20 1.61 0.40 -1.26 -0.75 117.98 118.22 1mwq s PHE 56 Ca 0.00 -0.66 0.11 0.00 -0.60 0.00 0.00 56.93 55.79 1mwq s PHE 56 Cb 0.00 -0.71 0.03 0.00 0.51 0.00 0.00 43.02 42.85 1mwq s PHE 56 CO 0.00 0.19 0.75 0.25 0.70 0.00 0.00 175.22 177.11 1mwq n THR 57 N -0.14 0.00 -3.41 0.64 -2.24 0.02 -4.72 114.28 104.43 1mwq n THR 57 Ca -0.10 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1mwq n THR 57 Cb 0.60 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 1mwq n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mwq n GLY 58 N 0.84 -0.58 3.16 3.38 0.00 -1.26 -0.92 105.19 109.82 1mwq n GLY 58 Ca 0.05 -1.27 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 1mwq n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mwq s SER 59 N -4.00 0.29 -0.04 1.61 1.04 -0.70 -0.81 113.70 111.09 1mwq s SER 59 Ca 0.00 -0.89 0.01 0.00 0.48 0.00 0.00 55.95 55.56 1mwq s SER 59 Cb 0.00 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.42 1mwq s SER 59 CO 0.00 -0.69 -0.06 -0.89 0.98 0.00 0.00 173.24 172.58 1mwq s THR 60 N -3.92 0.64 -0.02 2.02 2.01 -0.26 -1.04 115.64 115.08 1mwq s THR 60 Ca 0.09 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 61.94 1mwq s THR 60 Cb 0.06 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.93 1mwq s THR 60 CO -0.08 0.24 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.25 1mwq s VAL 61 N 0.78 1.22 -0.14 3.82 1.01 -0.32 -1.89 120.40 124.89 1mwq s VAL 61 Ca -0.11 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1mwq s VAL 61 Cb -0.14 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.23 1mwq s VAL 61 CO 0.01 0.35 -0.13 -0.63 0.00 0.00 0.00 175.10 174.70 1mwq s ILE 62 N -0.23 1.49 0.15 2.22 1.01 -0.46 -0.75 121.20 124.62 1mwq s ILE 62 Ca 0.03 -0.58 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1mwq s ILE 62 Cb -0.07 -1.40 0.04 0.00 0.01 0.00 0.00 42.46 41.03 1mwq s ILE 62 CO 0.00 0.44 0.46 0.00 0.00 0.00 0.00 174.94 175.85 1mwq s ALA 63 N 1.48 -1.07 0.13 9.38 0.00 -0.75 -0.96 121.76 129.96 1mwq s ALA 63 Ca 0.04 0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.82 1mwq s ALA 63 Cb -0.13 0.77 -0.07 0.00 0.00 0.00 0.00 23.12 23.68 1mwq s ALA 63 CO -0.10 -0.70 0.66 -0.65 0.00 0.00 0.00 175.76 174.98 1mwq s GLN 64 N -3.81 4.33 0.19 0.00 -0.21 0.32 -0.77 119.66 119.73 1mwq s GLN 64 Ca 0.04 0.90 -0.00 0.00 0.02 0.00 0.00 55.36 56.31 1mwq s GLN 64 Cb 0.01 -3.20 -0.04 0.00 1.00 0.00 0.00 33.01 30.78 1mwq s GLN 64 CO -0.11 0.58 0.09 -0.06 -2.12 0.00 0.00 175.29 173.67 1mwq s PHE 65 N -1.18 1.19 0.37 0.91 0.08 -1.26 -4.92 117.98 113.16 1mwq s PHE 65 Ca 0.33 -1.25 0.09 0.00 0.12 0.00 0.00 56.93 56.23 1mwq s PHE 65 Cb -0.20 -0.64 0.72 0.00 -0.57 0.00 0.00 43.02 42.32 1mwq s PHE 65 CO 0.22 -0.48 1.86 0.93 -0.10 0.00 0.00 175.22 177.65 1mwq h GLU 66 N 2.63 0.20 -2.02 0.44 4.39 -1.98 -3.46 114.58 114.78 1mwq h GLU 66 Ca -0.36 -0.06 0.28 0.00 0.34 0.00 0.00 59.36 59.56 1mwq h GLU 66 Cb 1.23 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.78 1mwq h GLU 66 CO 0.58 0.42 0.78 0.54 -1.16 0.00 0.00 179.01 180.16 1mwq s ASN 67 N -6.89 -0.03 0.17 1.42 2.20 -1.26 -5.01 114.94 105.54 1mwq s ASN 67 Ca -0.05 -0.30 -0.13 0.00 -0.94 0.00 0.00 52.86 51.44 1mwq s ASN 67 Cb 0.15 0.26 0.07 0.00 -2.00 0.00 0.00 41.25 39.72 1mwq s ASN 67 CO 0.74 -0.50 1.77 0.25 -2.94 0.00 0.00 177.10 176.41 1mwq h LEU 68 N 2.00 0.72 -0.95 3.54 5.85 -1.99 -1.64 115.31 122.84 1mwq h LEU 68 Ca -0.26 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 1mwq h LEU 68 Cb 1.20 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1mwq h LEU 68 CO 0.31 0.63 0.19 -0.61 -0.34 0.00 0.00 178.44 178.62 1mwq h GLN 69 N 0.76 0.95 -0.84 1.25 5.75 -1.99 -0.56 115.11 120.44 1mwq h GLN 69 Ca 0.20 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1mwq h GLN 69 Cb 0.09 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 1mwq h GLN 69 CO -0.03 0.82 0.44 0.00 -2.65 0.00 0.00 178.83 177.42 1mwq h ALA 70 N 1.28 1.20 -0.24 3.38 0.00 -1.81 0.11 119.26 123.18 1mwq h ALA 70 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1mwq h ALA 70 Cb 0.27 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1mwq h ALA 70 CO -0.01 0.63 0.10 0.00 0.00 0.00 0.00 179.25 179.97 1mwq h ALA 71 N 1.31 0.31 -0.64 0.00 0.00 -0.68 -0.92 119.26 118.63 1mwq h ALA 71 Ca 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1mwq h ALA 71 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1mwq h ALA 71 CO -0.04 -0.10 0.28 0.87 0.00 0.00 0.00 179.25 180.26 1mwq h LYS 72 N 0.24 0.94 -0.47 0.00 1.57 -0.78 -0.86 116.57 117.21 1mwq h LYS 72 Ca 0.08 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1mwq h LYS 72 Cb 0.17 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1mwq h LYS 72 CO -0.01 0.77 0.28 -0.44 -0.57 0.00 0.00 179.45 179.49 1mwq h ASP 73 N 0.90 0.56 -0.51 0.86 3.32 -0.67 -0.98 116.42 119.90 1mwq h ASP 73 Ca 0.22 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1mwq h ASP 73 Cb 0.16 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1mwq h ASP 73 CO -0.02 0.46 0.28 -0.25 -1.72 0.00 0.00 179.24 177.99 1mwq h TRP 74 N 0.62 0.70 -0.73 4.55 7.01 -0.90 -2.33 115.95 124.86 1mwq h TRP 74 Ca 0.17 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.17 1mwq h TRP 74 Cb -0.00 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 26.80 1mwq h TRP 74 CO -0.03 0.51 0.47 0.00 -2.79 0.00 0.00 178.44 176.61 1mwq h ALA 75 N 1.12 0.95 0.00 2.65 0.00 -0.83 -2.37 119.26 120.78 1mwq h ALA 75 Ca 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1mwq h ALA 75 Cb 0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1mwq h ALA 75 CO -0.03 0.30 -0.10 0.00 0.00 0.00 0.00 179.25 179.42 1mwq h ALA 76 N 1.29 1.25 -0.05 0.00 0.00 -0.79 -2.28 119.26 118.69 1mwq h ALA 76 Ca 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1mwq h ALA 76 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1mwq h ALA 76 CO -0.08 0.13 0.00 1.04 0.00 0.00 0.00 179.25 180.33 1mwq n GLN 77 N -3.57 1.73 -1.76 0.00 6.02 -0.90 -4.84 117.38 114.05 1mwq n GLN 77 Ca -0.02 -1.06 -0.41 0.00 -0.01 0.00 0.00 57.00 55.50 1mwq n GLN 77 Cb 0.23 -1.46 -0.01 0.00 1.02 0.00 0.00 30.24 30.02 1mwq n GLN 77 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1mwq n ASP 78 N 0.29 3.84 -0.17 1.08 -0.08 -0.86 -4.85 116.55 115.80 1mwq n ASP 78 Ca 0.18 1.19 0.24 0.00 -1.51 0.00 0.00 54.79 54.90 1mwq n ASP 78 Cb 0.37 -1.61 0.66 0.00 2.34 0.00 0.00 41.12 42.87 1mwq n ASP 78 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1mwq h PRO 79 N 3.75 0.12 0.00 -0.67 0.11 -1.92 0.45 132.00 133.84 1mwq h PRO 79 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1mwq h PRO 79 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1mwq h PRO 79 CO 0.71 0.08 0.00 1.88 -0.21 0.00 0.00 178.00 180.45 1mwq h TYR 80 N 0.12 0.00 0.38 0.65 0.05 -1.90 -1.62 116.97 114.66 1mwq h TYR 80 Ca 0.41 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.17 1mwq h TYR 80 Cb 1.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.19 1mwq h TYR 80 CO -0.00 0.00 -0.18 0.28 -1.05 0.00 0.00 178.16 177.21 1mwq h VAL 81 N 0.00 0.00 -0.33 -2.88 2.07 -1.21 -0.57 116.25 113.33 1mwq h VAL 81 Ca 0.00 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1mwq h VAL 81 Cb 0.18 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1mwq h VAL 81 CO 0.00 0.00 0.22 -0.08 0.02 0.00 0.00 177.57 177.73 1mwq h GLU 82 N -1.12 0.31 0.00 1.57 4.81 -1.62 -1.94 114.58 116.60 1mwq h GLU 82 Ca -0.05 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1mwq h GLU 82 Cb 0.40 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1mwq h GLU 82 CO 0.09 0.21 0.00 0.00 -0.73 0.00 0.00 179.01 178.57 1mwq n ALA 83 N -2.51 2.29 -1.48 2.92 0.00 -0.62 -4.91 120.51 116.19 1mwq n ALA 83 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1mwq n ALA 83 Cb 0.16 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1mwq n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mwq n GLY 84 N 1.19 0.42 0.12 0.00 0.00 -0.73 -4.97 105.19 101.22 1mwq n GLY 84 Ca 0.09 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 1mwq n GLY 84 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mwq n VAL 85 N -3.46 1.55 -3.03 1.61 0.31 -0.34 -4.74 118.33 110.23 1mwq n VAL 85 Ca 0.00 -0.22 -0.40 0.00 -0.01 0.00 0.00 64.34 63.72 1mwq n VAL 85 Cb 0.26 -1.94 -0.05 0.00 -0.91 0.00 0.00 33.84 31.21 1mwq n VAL 85 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1mwq s TYR 86 N -2.43 3.57 -0.02 3.52 2.02 -0.50 -0.49 117.35 123.02 1mwq s TYR 86 Ca -0.32 1.26 -0.20 0.00 -0.37 0.00 0.00 57.07 57.44 1mwq s TYR 86 Cb 0.09 -2.82 -0.32 0.00 -0.40 0.00 0.00 41.96 38.51 1mwq s TYR 86 CO 0.58 0.07 0.95 0.00 -1.57 0.00 0.00 175.55 175.58 1mwq h ALA 87 N 6.79 -0.10 -2.65 3.71 0.00 -0.69 -3.43 119.26 122.90 1mwq h ALA 87 Ca -0.40 -0.74 0.01 0.00 0.00 0.00 0.00 54.91 53.78 1mwq h ALA 87 Cb 1.19 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 1mwq h ALA 87 CO 0.76 0.48 0.30 -0.51 0.00 0.00 0.00 179.25 180.27 1mwq s ASP 88 N -7.16 -0.52 -0.03 0.00 1.01 -1.15 -5.01 116.67 103.81 1mwq s ASP 88 Ca -0.12 0.09 0.01 0.00 0.71 0.00 0.00 52.55 53.25 1mwq s ASP 88 Cb 0.02 0.53 0.01 0.00 1.01 0.00 0.00 42.92 44.49 1mwq s ASP 88 CO 0.87 -0.82 -0.05 0.54 0.21 0.00 0.00 175.17 175.92 1mwq s VAL 89 N -3.22 0.54 -0.22 -1.27 0.11 -1.26 -1.03 120.40 114.05 1mwq s VAL 89 Ca 0.01 -0.18 -0.08 0.00 -2.93 0.00 0.00 61.98 58.80 1mwq s VAL 89 Cb -0.01 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 1mwq s VAL 89 CO -0.09 0.20 0.07 -0.63 -3.33 0.00 0.00 175.10 171.32 1mwq s ILE 90 N 0.55 4.58 -0.12 7.04 1.09 -0.32 -4.96 121.20 129.05 1mwq s ILE 90 Ca -0.07 -0.09 0.02 0.00 -1.10 0.00 0.00 60.65 59.41 1mwq s ILE 90 Cb -0.11 -3.11 0.01 0.00 -1.06 0.00 0.00 42.46 38.20 1mwq s ILE 90 CO 0.00 0.39 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.34 1mwq s VAL 91 N 1.07 1.83 0.04 2.92 1.01 -1.26 -0.43 120.40 125.58 1mwq s VAL 91 Ca 0.04 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1mwq s VAL 91 Cb -0.14 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1mwq s VAL 91 CO 0.03 0.51 -0.10 -0.54 0.00 0.00 0.00 175.10 175.00 1mwq s LYS 92 N 0.83 0.68 0.62 2.72 1.02 -0.38 -5.00 119.74 120.24 1mwq s LYS 92 Ca -0.08 -0.67 -0.18 0.00 0.02 0.00 0.00 55.97 55.06 1mwq s LYS 92 Cb -0.16 -0.60 -0.04 0.00 -0.52 0.00 0.00 37.83 36.52 1mwq s LYS 92 CO -0.01 0.14 0.93 -2.30 -0.92 0.00 0.00 175.35 173.19 1mwq n PRO 93 N 1.88 0.80 -3.88 -1.68 -0.02 -1.26 -0.88 135.00 129.95 1mwq n PRO 93 Ca -0.19 0.32 -0.22 0.00 -2.02 0.00 0.00 63.50 61.38 1mwq n PRO 93 Cb 0.55 -2.14 -0.17 0.00 -0.02 0.00 0.00 33.50 31.72 1mwq n PRO 93 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1mwq s PHE 94 N -1.57 0.75 -0.47 6.00 5.36 -0.09 -4.66 117.98 123.31 1mwq s PHE 94 Ca 0.76 -0.22 -0.20 0.00 -0.96 0.00 0.00 56.93 56.30 1mwq s PHE 94 Cb -0.40 -0.80 0.04 0.00 -0.34 0.00 0.00 43.02 41.52 1mwq s PHE 94 CO 0.47 -0.31 0.63 0.21 -1.46 0.00 0.00 175.22 174.77 1mwq s LYS 95 N 1.66 3.20 -0.72 10.12 2.20 -1.26 -3.93 119.74 131.02 1mwq s LYS 95 Ca 0.01 -0.60 -0.27 0.00 -0.36 0.00 0.00 55.97 54.75 1mwq s LYS 95 Cb -0.13 -4.01 0.02 0.00 -1.51 0.00 0.00 37.83 32.20 1mwq s LYS 95 CO -0.04 -1.10 1.33 0.21 -0.36 0.00 0.00 175.35 175.39 1mwq s LYS 96 N 2.75 3.16 -0.06 4.03 2.20 -1.26 -4.81 119.74 125.74 1mwq s LYS 96 Ca 0.19 -0.12 -0.01 0.00 -0.36 0.00 0.00 55.97 55.67 1mwq s LYS 96 Cb -0.16 -4.19 -0.26 0.00 -1.51 0.00 0.00 37.83 31.71 1mwq s LYS 96 CO 0.16 -2.18 0.59 0.28 -0.36 0.00 0.00 175.35 173.84 1mwq h VAL 97 N 6.12 0.84 0.00 4.02 2.07 -2.06 -3.53 116.25 123.71 1mwq h VAL 97 Ca -0.28 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.68 1mwq h VAL 97 Cb 1.06 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1mwq h VAL 97 CO 1.27 0.78 0.00 0.49 0.02 0.00 0.00 177.57 180.12