#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fm0 s ILE 2 N 0.00 4.99 -0.13 2.02 1.01 0.99 -1.52 121.20 128.55 1fm0 s ILE 2 Ca 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.51 1fm0 s ILE 2 Cb 0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1fm0 s ILE 2 CO 0.00 0.42 0.49 -0.75 0.00 0.00 0.00 174.94 175.10 1fm0 s LYS 3 N 0.64 4.31 -0.15 2.79 2.47 -1.02 -0.58 119.74 128.20 1fm0 s LYS 3 Ca 0.05 0.45 0.02 0.00 -1.56 0.00 0.00 55.97 54.93 1fm0 s LYS 3 Cb -0.13 -3.46 0.01 0.00 -1.46 0.00 0.00 37.83 32.79 1fm0 s LYS 3 CO 0.01 0.09 -0.20 0.08 0.16 0.00 0.00 175.35 175.50 1fm0 s VAL 4 N 0.83 2.24 0.08 4.02 1.01 0.14 -0.83 120.40 127.89 1fm0 s VAL 4 Ca 0.26 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1fm0 s VAL 4 Cb -0.15 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1fm0 s VAL 4 CO 0.10 0.54 -0.05 -0.76 0.00 0.00 0.00 175.10 174.93 1fm0 s LEU 5 N 0.91 3.25 0.07 3.92 1.43 -0.05 -1.03 118.68 127.17 1fm0 s LEU 5 Ca -0.04 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 1fm0 s LEU 5 Cb -0.15 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1fm0 s LEU 5 CO -0.03 0.20 -0.16 -0.36 0.23 0.00 0.00 176.35 176.22 1fm0 s PHE 6 N -1.22 1.39 0.07 0.29 0.40 -0.96 -1.77 117.98 116.19 1fm0 s PHE 6 Ca 0.22 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1fm0 s PHE 6 Cb -0.11 -0.79 -0.03 0.00 0.51 0.00 0.00 43.02 42.60 1fm0 s PHE 6 CO 0.15 0.09 -0.07 -0.06 0.70 0.00 0.00 175.22 176.03 1fm0 s PHE 7 N -1.14 0.76 0.00 0.36 0.40 -1.18 -4.64 117.98 112.54 1fm0 s PHE 7 Ca 0.01 -0.69 0.00 0.00 -0.60 0.00 0.00 56.93 55.65 1fm0 s PHE 7 Cb -0.10 -0.45 0.00 0.00 0.51 0.00 0.00 43.02 42.99 1fm0 s PHE 7 CO 0.03 -0.12 0.00 0.00 0.70 0.00 0.00 175.22 175.82 1fm0 n ALA 8 N 0.78 0.00 -0.09 5.36 0.00 -1.26 -2.20 120.51 123.10 1fm0 n ALA 8 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.34 1fm0 n ALA 8 Cb 0.57 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.46 1fm0 n ALA 8 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1fm0 h GLN 9 N 0.00 0.54 -0.00 0.00 7.50 -1.99 -1.91 115.11 119.25 1fm0 h GLN 9 Ca 0.00 -0.03 -0.00 0.00 0.50 0.00 0.00 58.65 59.12 1fm0 h GLN 9 Cb 0.00 -0.12 -0.00 0.00 0.05 0.00 0.00 27.48 27.41 1fm0 h GLN 9 CO 0.00 0.36 0.00 0.28 -1.50 0.00 0.00 178.83 177.97 1fm0 h VAL 10 N 0.56 1.08 -0.59 -0.54 2.07 -1.79 -1.95 116.25 115.10 1fm0 h VAL 10 Ca 0.25 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.63 1fm0 h VAL 10 Cb 0.28 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 1fm0 h VAL 10 CO -0.07 0.06 0.25 -0.09 0.02 0.00 0.00 177.57 177.74 1fm0 h ARG 11 N -0.09 0.45 -0.57 1.57 2.43 -1.08 -0.80 114.38 116.28 1fm0 h ARG 11 Ca 0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1fm0 h ARG 11 Cb 0.09 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1fm0 h ARG 11 CO -0.00 0.30 0.34 0.93 -1.51 0.00 0.00 179.97 180.03 1fm0 h GLU 12 N 0.46 0.78 -0.03 0.20 5.08 -1.25 -1.62 114.58 118.20 1fm0 h GLU 12 Ca 0.28 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.36 1fm0 h GLU 12 Cb 0.29 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 29.40 1fm0 h GLU 12 CO -0.25 0.57 -0.80 1.25 -1.00 0.00 0.00 179.01 178.79 1fm0 h LEU 13 N 0.78 0.76 -1.23 1.33 5.85 -1.07 -3.19 115.31 118.53 1fm0 h LEU 13 Ca 0.21 -0.72 -0.07 0.00 0.84 0.00 0.00 57.88 58.14 1fm0 h LEU 13 Cb -0.01 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1fm0 h LEU 13 CO -0.04 1.37 -0.33 -0.37 -0.34 0.00 0.00 178.44 178.73 1fm0 h VAL 14 N 0.21 0.97 0.00 1.05 -1.51 -1.14 -3.44 116.25 112.39 1fm0 h VAL 14 Ca -0.09 -1.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.11 1fm0 h VAL 14 Cb 1.46 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 32.37 1fm0 h VAL 14 CO 0.16 0.33 0.00 0.61 -1.23 0.00 0.00 177.57 177.44 1fm0 n GLY 15 N -0.17 0.64 3.26 5.19 0.00 -0.61 -4.95 105.19 108.54 1fm0 n GLY 15 Ca -0.01 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1fm0 n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fm0 s THR 16 N -2.00 0.07 -0.22 2.61 -1.32 -1.24 -5.07 115.64 108.48 1fm0 s THR 16 Ca 0.00 -0.62 0.19 0.00 -1.21 0.00 0.00 61.69 60.06 1fm0 s THR 16 Cb 0.00 -0.90 0.02 0.00 -1.51 0.00 0.00 72.50 70.11 1fm0 s THR 16 CO 0.00 -0.34 1.13 0.44 -2.21 0.00 0.00 174.62 173.64 1fm0 h ASP 17 N 3.26 0.00 -4.18 8.08 3.45 -1.89 -3.44 116.42 121.70 1fm0 h ASP 17 Ca -0.31 0.00 0.03 0.00 0.43 0.00 0.00 57.03 57.18 1fm0 h ASP 17 Cb 1.20 0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 39.74 1fm0 h ASP 17 CO 0.45 0.28 0.40 0.00 -1.57 0.00 0.00 179.24 178.79 1fm0 s ALA 18 N -3.13 -1.88 0.23 3.45 0.00 -1.26 -2.26 121.76 116.90 1fm0 s ALA 18 Ca 0.01 1.60 -0.15 0.00 0.00 0.00 0.00 51.96 53.42 1fm0 s ALA 18 Cb 0.08 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.52 1fm0 s ALA 18 CO 0.77 -0.31 0.50 -0.08 0.00 0.00 0.00 175.76 176.64 1fm0 s THR 19 N -0.77 0.01 0.03 0.00 -1.32 -0.20 -5.01 115.64 108.39 1fm0 s THR 19 Ca -0.03 -1.19 0.06 0.00 -1.21 0.00 0.00 61.69 59.32 1fm0 s THR 19 Cb -0.02 -1.98 -0.03 0.00 -1.51 0.00 0.00 72.50 68.97 1fm0 s THR 19 CO 0.02 -0.06 -0.17 -1.61 -2.21 0.00 0.00 174.62 170.59 1fm0 s GLU 20 N -3.96 2.16 0.03 7.08 2.02 -1.26 -0.68 118.70 124.08 1fm0 s GLU 20 Ca 0.17 -0.93 0.03 0.00 0.02 0.00 0.00 54.97 54.26 1fm0 s GLU 20 Cb -0.01 -2.23 -0.02 0.00 0.10 0.00 0.00 34.13 31.97 1fm0 s GLU 20 CO 0.05 0.55 -0.09 0.14 0.02 0.00 0.00 175.26 175.94 1fm0 s VAL 21 N -0.90 0.65 0.89 2.63 -7.23 0.25 -5.00 120.40 111.70 1fm0 s VAL 21 Ca 0.14 -0.85 -0.11 0.00 -1.81 0.00 0.00 61.98 59.35 1fm0 s VAL 21 Cb -0.11 -0.64 0.13 0.00 0.56 0.00 0.00 36.38 36.32 1fm0 s VAL 21 CO 0.05 -0.17 1.15 0.00 -0.31 0.00 0.00 175.10 175.82 1fm0 s ALA 22 N -0.94 1.59 -1.20 1.32 0.00 -1.26 -0.01 121.76 121.26 1fm0 s ALA 22 Ca -0.04 0.62 -0.06 0.00 0.00 0.00 0.00 51.96 52.47 1fm0 s ALA 22 Cb -0.08 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.65 1fm0 s ALA 22 CO 0.01 -2.62 2.63 0.00 0.00 0.00 0.00 175.76 175.77 1fm0 n ALA 23 N -4.02 6.91 -1.52 0.00 0.00 -1.26 -4.52 120.51 116.09 1fm0 n ALA 23 Ca 0.12 -3.71 -0.14 0.00 0.00 0.00 0.00 53.44 49.71 1fm0 n ALA 23 Cb 0.52 -2.79 0.15 0.00 0.00 0.00 0.00 19.45 17.33 1fm0 n ALA 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1fm0 n ASP 24 N 2.03 3.77 -3.91 0.00 8.00 -1.26 -4.87 116.55 120.31 1fm0 n ASP 24 Ca 0.63 -3.77 -0.20 0.00 0.71 0.00 0.00 54.79 52.16 1fm0 n ASP 24 Cb 0.32 -0.66 -0.16 0.00 -0.02 0.00 0.00 41.12 40.60 1fm0 n ASP 24 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1fm0 s PHE 25 N -3.41 0.80 0.34 1.24 0.40 -1.26 -5.05 117.98 111.04 1fm0 s PHE 25 Ca 0.50 -0.23 0.09 0.00 -0.60 0.00 0.00 56.93 56.69 1fm0 s PHE 25 Cb 0.43 -0.69 0.62 0.00 0.51 0.00 0.00 43.02 43.89 1fm0 s PHE 25 CO 0.01 -0.19 1.80 -1.00 0.70 0.00 0.00 175.22 176.54 1fm0 h PRO 26 N 7.10 0.19 -4.32 0.24 0.13 -1.93 -3.40 132.00 130.01 1fm0 h PRO 26 Ca -0.38 -0.07 -0.18 0.00 -0.87 0.00 0.00 66.00 64.50 1fm0 h PRO 26 Cb 1.16 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 1fm0 h PRO 26 CO 0.48 0.49 -0.52 0.95 -0.23 0.00 0.00 178.00 179.16 1fm0 s THR 27 N -4.36 0.04 0.21 1.56 -4.23 -1.26 -2.01 115.64 105.60 1fm0 s THR 27 Ca -0.04 -1.81 -0.09 0.00 -1.18 0.00 0.00 61.69 58.57 1fm0 s THR 27 Cb 0.14 -2.23 0.15 0.00 1.34 0.00 0.00 72.50 71.91 1fm0 s THR 27 CO 0.75 -0.18 1.77 0.58 -0.54 0.00 0.00 174.62 177.00 1fm0 h VAL 28 N 2.64 0.85 -0.65 2.29 2.07 -1.28 -2.30 116.25 119.87 1fm0 h VAL 28 Ca -0.34 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1fm0 h VAL 28 Cb 1.23 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1fm0 h VAL 28 CO 0.52 0.10 0.42 -0.08 0.02 0.00 0.00 177.57 178.55 1fm0 h GLU 29 N 0.54 0.86 -0.80 1.57 4.57 -1.29 0.40 114.58 120.43 1fm0 h GLU 29 Ca 0.32 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1fm0 h GLU 29 Cb 0.33 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 1fm0 h GLU 29 CO -0.26 0.57 0.47 0.00 -1.18 0.00 0.00 179.01 178.61 1fm0 h ALA 30 N 1.23 1.02 -0.34 2.92 0.00 -1.78 -1.02 119.26 121.28 1fm0 h ALA 30 Ca 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1fm0 h ALA 30 Cb -0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1fm0 h ALA 30 CO -0.05 0.50 0.15 1.25 0.00 0.00 0.00 179.25 181.10 1fm0 h LEU 31 N 1.09 0.46 -0.48 0.00 5.85 -1.05 -2.12 115.31 119.06 1fm0 h LEU 31 Ca 0.28 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1fm0 h LEU 31 Cb -0.02 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 1fm0 h LEU 31 CO -0.05 0.47 0.16 -0.09 -0.34 0.00 0.00 178.44 178.59 1fm0 h ARG 32 N 0.41 0.32 -0.50 1.25 2.43 -0.60 -1.24 114.38 116.45 1fm0 h ARG 32 Ca 0.12 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1fm0 h ARG 32 Cb 0.14 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1fm0 h ARG 32 CO -0.01 0.21 0.22 1.96 -1.51 0.00 0.00 179.97 180.84 1fm0 h GLN 33 N 0.33 0.74 -0.38 0.20 4.20 -1.11 -0.30 115.11 118.78 1fm0 h GLN 33 Ca 0.23 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.84 1fm0 h GLN 33 Cb 0.25 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1fm0 h GLN 33 CO -0.25 0.64 0.20 1.25 -0.67 0.00 0.00 178.83 180.00 1fm0 h HIS 34 N 0.67 0.38 -0.47 2.96 2.76 -0.99 -2.44 115.15 118.01 1fm0 h HIS 34 Ca 0.17 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.22 1fm0 h HIS 34 Cb 0.16 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1fm0 h HIS 34 CO -0.00 0.21 -0.22 0.52 -1.30 0.00 0.00 177.93 177.14 1fm0 h MET 35 N 0.42 0.98 -0.07 5.26 2.86 -1.02 -2.84 114.93 120.52 1fm0 h MET 35 Ca 0.16 -0.42 0.02 0.00 -2.06 0.00 0.00 59.70 57.39 1fm0 h MET 35 Cb 0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1fm0 h MET 35 CO -0.10 1.10 0.05 0.00 1.06 0.00 0.00 176.91 179.02 1fm0 h ALA 36 N 0.86 2.02 0.00 6.32 0.00 -0.94 -2.30 119.26 125.22 1fm0 h ALA 36 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1fm0 h ALA 36 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1fm0 h ALA 36 CO 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1fm0 n ALA 37 N -2.53 2.53 0.10 0.00 0.00 -0.93 -2.91 120.51 116.77 1fm0 n ALA 37 Ca -0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.21 1fm0 n ALA 37 Cb 0.15 -1.48 0.04 0.00 0.00 0.00 0.00 19.45 18.16 1fm0 n ALA 37 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1fm0 h GLN 38 N 0.00 0.06 -2.25 0.00 1.08 -1.48 -3.48 115.11 109.03 1fm0 h GLN 38 Ca 0.00 -0.06 0.17 0.00 -1.45 0.00 0.00 58.65 57.32 1fm0 h GLN 38 Cb 0.14 0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 27.48 1fm0 h GLN 38 CO 0.00 0.82 0.52 -1.54 -0.95 0.00 0.00 178.83 177.67 1fm0 s SER 39 N -6.83 -0.21 0.28 1.46 1.04 -1.25 -5.01 113.70 103.18 1fm0 s SER 39 Ca -0.01 -0.28 -0.00 0.00 0.48 0.00 0.00 55.95 56.14 1fm0 s SER 39 Cb 0.11 0.43 0.40 0.00 0.10 0.00 0.00 66.02 67.07 1fm0 s SER 39 CO 0.80 -0.78 1.78 0.44 0.98 0.00 0.00 173.24 176.46 1fm0 h ASP 40 N 2.00 0.67 -0.36 7.02 3.32 -1.93 -1.15 116.42 126.00 1fm0 h ASP 40 Ca -0.24 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.57 1fm0 h ASP 40 Cb 1.23 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1fm0 h ASP 40 CO 0.27 0.76 -0.10 0.03 -1.72 0.00 0.00 179.24 178.48 1fm0 h ARG 41 N 0.65 0.70 -0.55 3.56 3.08 -1.93 -2.07 114.38 117.82 1fm0 h ARG 41 Ca 0.13 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1fm0 h ARG 41 Cb 0.45 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1fm0 h ARG 41 CO 0.02 0.86 0.12 -1.49 -1.07 0.00 0.00 179.97 178.41 1fm0 h TRP 42 N 0.49 0.89 -0.45 3.04 4.06 -1.79 -2.04 115.95 120.14 1fm0 h TRP 42 Ca 0.09 -0.09 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 1fm0 h TRP 42 Cb 0.61 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.49 1fm0 h TRP 42 CO 0.05 0.75 0.11 0.00 -3.56 0.00 0.00 178.44 175.79 1fm0 h ALA 43 N 1.31 0.60 -0.66 1.49 0.00 -1.08 -1.85 119.26 119.06 1fm0 h ALA 43 Ca 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1fm0 h ALA 43 Cb 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1fm0 h ALA 43 CO 0.00 0.28 0.31 1.25 0.00 0.00 0.00 179.25 181.09 1fm0 h LEU 44 N 0.60 0.87 -0.80 0.00 5.85 -1.22 -0.84 115.31 119.77 1fm0 h LEU 44 Ca 0.14 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1fm0 h LEU 44 Cb 0.32 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1fm0 h LEU 44 CO 0.00 0.76 0.00 0.00 -0.34 0.00 0.00 178.44 178.87 1fm0 h ALA 45 N 1.14 1.00 -0.02 1.25 0.00 -1.23 -3.33 119.26 118.06 1fm0 h ALA 45 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1fm0 h ALA 45 Cb 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1fm0 h ALA 45 CO -0.03 0.62 -0.07 1.28 0.00 0.00 0.00 179.25 181.05 1fm0 n LEU 46 N -4.20 2.27 -1.22 0.00 4.77 -0.71 -4.45 117.00 113.47 1fm0 n LEU 46 Ca 0.03 -0.95 0.12 0.00 -0.03 0.00 0.00 56.01 55.18 1fm0 n LEU 46 Cb 0.32 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.65 1fm0 n LEU 46 CO 0.43 0.41 0.72 -0.62 -1.33 0.00 0.00 177.39 176.99 1fm0 n GLU 47 N 0.74 2.58 -2.11 3.23 1.02 -0.33 -4.98 120.64 120.79 1fm0 n GLU 47 Ca 0.09 -2.40 -0.41 0.00 -0.02 0.00 0.00 57.16 54.42 1fm0 n GLU 47 Cb 0.41 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 1fm0 n GLU 47 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1fm0 s ASP 48 N -1.36 6.76 0.62 1.62 2.15 -1.26 -4.92 116.67 120.28 1fm0 s ASP 48 Ca 0.42 2.52 0.39 0.00 0.43 0.00 0.00 52.55 56.31 1fm0 s ASP 48 Cb 0.24 -2.61 2.01 0.00 -0.30 0.00 0.00 42.92 42.26 1fm0 s ASP 48 CO 0.32 -0.63 2.23 1.23 -0.17 0.00 0.00 175.17 178.15 1fm0 h GLY 49 N 5.46 0.00 -1.72 2.66 0.00 -1.98 -2.43 103.07 105.05 1fm0 h GLY 49 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1fm0 h GLY 49 CO 0.79 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.61 1fm0 n LYS 50 N -3.20 2.23 -1.71 4.80 5.02 -1.26 -4.99 118.16 119.05 1fm0 n LYS 50 Ca -0.02 -1.82 -0.42 0.00 -2.02 0.00 0.00 58.31 54.03 1fm0 n LYS 50 Cb 0.15 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 1fm0 n LYS 50 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1fm0 n LEU 51 N 1.11 3.70 -4.69 -0.35 7.94 -0.92 -4.24 117.00 119.56 1fm0 n LEU 51 Ca 0.17 1.21 -0.27 0.00 -1.11 0.00 0.00 56.01 56.01 1fm0 n LEU 51 Cb 0.54 -1.50 -0.07 0.00 0.53 0.00 0.00 43.42 42.91 1fm0 n LEU 51 CO 0.15 -0.39 -0.31 -0.76 -1.11 0.00 0.00 177.39 174.97 1fm0 s LEU 52 N -1.11 3.41 0.02 -1.96 1.43 -0.28 -5.00 118.68 115.19 1fm0 s LEU 52 Ca 0.56 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1fm0 s LEU 52 Cb -0.56 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.60 1fm0 s LEU 52 CO 0.62 0.09 -0.08 0.00 0.23 0.00 0.00 176.35 177.21 1fm0 s ALA 53 N -1.73 0.62 0.04 4.21 0.00 -1.26 -2.09 121.76 121.55 1fm0 s ALA 53 Ca 0.28 -0.57 0.05 0.00 0.00 0.00 0.00 51.96 51.73 1fm0 s ALA 53 Cb -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1fm0 s ALA 53 CO 0.19 0.07 -0.16 0.00 0.00 0.00 0.00 175.76 175.87 1fm0 s ALA 54 N -0.80 1.31 -0.09 0.00 0.00 -0.49 -1.67 121.76 120.02 1fm0 s ALA 54 Ca -0.03 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.05 1fm0 s ALA 54 Cb -0.07 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1fm0 s ALA 54 CO 0.00 0.26 -0.13 0.08 0.00 0.00 0.00 175.76 175.98 1fm0 s VAL 55 N -0.86 1.26 -1.44 0.00 1.01 -0.43 -1.23 120.40 118.71 1fm0 s VAL 55 Ca 0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 1fm0 s VAL 55 Cb -0.08 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.15 1fm0 s VAL 55 CO 0.01 0.39 0.50 0.59 0.00 0.00 0.00 175.10 176.60 1fm0 n ASN 56 N 4.20 -0.93 -1.66 3.32 3.02 0.19 -2.24 115.26 121.17 1fm0 n ASN 56 Ca -0.19 -0.99 -0.17 0.00 -0.03 0.00 0.00 54.58 53.20 1fm0 n ASN 56 Cb 0.51 -3.11 -0.04 0.00 -0.61 0.00 0.00 39.78 36.53 1fm0 n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fm0 n GLN 57 N -4.41 -1.30 -4.75 3.52 3.00 -1.26 -5.01 117.38 107.18 1fm0 n GLN 57 Ca -0.25 0.98 -0.24 0.00 -0.01 0.00 0.00 57.00 57.48 1fm0 n GLN 57 Cb 0.65 -5.33 -0.16 0.00 0.00 0.00 0.00 30.24 25.41 1fm0 n GLN 57 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1fm0 s THR 58 N -2.76 1.28 0.19 5.09 -1.32 -0.95 -5.12 115.64 112.05 1fm0 s THR 58 Ca 0.00 -0.66 -0.31 0.00 -1.21 0.00 0.00 61.69 59.51 1fm0 s THR 58 Cb 0.00 -1.08 -0.09 0.00 -1.51 0.00 0.00 72.50 69.81 1fm0 s THR 58 CO 0.00 0.37 1.46 -0.22 -2.21 0.00 0.00 174.62 174.01 1fm0 s LEU 59 N -0.15 4.38 0.08 9.08 2.96 -1.26 -1.31 118.68 132.45 1fm0 s LEU 59 Ca 0.01 2.55 -0.00 0.00 -0.22 0.00 0.00 54.13 56.47 1fm0 s LEU 59 Cb -0.08 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1fm0 s LEU 59 CO 0.01 -0.71 -0.02 0.68 -1.32 0.00 0.00 176.35 174.99 1fm0 s VAL 60 N 0.60 0.28 0.66 1.68 -7.23 -0.67 -4.92 120.40 110.81 1fm0 s VAL 60 Ca 0.64 -1.86 -0.16 0.00 -1.81 0.00 0.00 61.98 58.79 1fm0 s VAL 60 Cb -0.41 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 34.86 1fm0 s VAL 60 CO 0.36 -0.85 1.18 -0.55 -0.31 0.00 0.00 175.10 174.93 1fm0 s SER 61 N -2.97 4.79 0.26 4.85 0.15 -1.26 -4.48 113.70 115.04 1fm0 s SER 61 Ca 0.12 2.28 0.22 0.00 0.70 0.00 0.00 55.95 59.27 1fm0 s SER 61 Cb 0.07 -2.58 1.01 0.00 -1.71 0.00 0.00 66.02 62.81 1fm0 s SER 61 CO -0.06 -1.86 1.68 0.49 1.20 0.00 0.00 173.24 174.69 1fm0 n PHE 62 N -2.22 0.75 1.63 3.44 3.01 -1.26 -1.63 117.46 121.18 1fm0 n PHE 62 Ca 0.13 0.32 0.15 0.00 1.01 0.00 0.00 57.45 59.06 1fm0 n PHE 62 Cb 0.50 -1.02 0.80 0.00 -0.01 0.00 0.00 39.48 39.76 1fm0 n PHE 62 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1fm0 n ASP 63 N -2.21 0.11 -4.74 4.37 8.00 -1.26 -0.86 116.55 119.96 1fm0 n ASP 63 Ca 0.01 -0.55 -0.42 0.00 0.71 0.00 0.00 54.79 54.54 1fm0 n ASP 63 Cb 0.17 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 1fm0 n ASP 63 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1fm0 n HIS 64 N -1.10 2.82 -1.93 1.24 -0.00 -0.65 -4.75 115.22 110.86 1fm0 n HIS 64 Ca 0.18 0.27 -0.33 0.00 0.46 0.00 0.00 57.72 58.29 1fm0 n HIS 64 Cb 0.20 -2.59 0.03 0.00 -0.12 0.00 0.00 29.99 27.51 1fm0 n HIS 64 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1fm0 s PRO 65 N -0.54 3.02 0.12 1.57 0.04 -1.26 -1.51 135.00 136.44 1fm0 s PRO 65 Ca 0.64 1.42 0.07 0.00 0.04 0.00 0.00 61.00 63.17 1fm0 s PRO 65 Cb -0.50 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 1fm0 s PRO 65 CO 0.49 -1.08 -0.08 -0.51 0.04 0.00 0.00 177.00 175.85 1fm0 s LEU 66 N -4.53 3.08 0.01 -3.56 1.43 -0.85 -4.77 118.68 109.49 1fm0 s LEU 66 Ca 0.68 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1fm0 s LEU 66 Cb -0.21 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 1fm0 s LEU 66 CO 0.37 0.16 -0.04 -0.89 0.23 0.00 0.00 176.35 176.18 1fm0 s THR 67 N -1.32 0.29 0.14 5.49 2.01 -1.26 -4.88 115.64 116.10 1fm0 s THR 67 Ca 0.23 -0.54 -0.35 0.00 0.31 0.00 0.00 61.69 61.34 1fm0 s THR 67 Cb -0.11 -0.32 -0.16 0.00 0.01 0.00 0.00 72.50 71.93 1fm0 s THR 67 CO 0.15 -0.17 1.31 -0.67 -0.69 0.00 0.00 174.62 174.54 1fm0 n ASP 68 N 2.31 1.78 0.00 3.53 2.03 -1.26 -1.72 116.55 123.22 1fm0 n ASP 68 Ca -0.18 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.26 1fm0 n ASP 68 Cb 0.57 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 1fm0 n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fm0 n GLY 69 N 2.40 0.77 3.76 0.27 0.00 -0.58 -4.96 105.19 106.86 1fm0 n GLY 69 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1fm0 n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fm0 s ASP 70 N -2.64 5.18 -0.24 1.61 1.01 -0.70 -4.86 116.67 116.03 1fm0 s ASP 70 Ca 0.00 2.12 -0.07 0.00 0.71 0.00 0.00 52.55 55.31 1fm0 s ASP 70 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1fm0 s ASP 70 CO 0.00 -1.59 0.05 -0.70 0.21 0.00 0.00 175.17 173.14 1fm0 s GLU 71 N -3.80 3.61 -0.05 8.23 2.12 -1.26 -2.44 118.70 125.11 1fm0 s GLU 71 Ca 0.70 -0.50 0.02 0.00 0.36 0.00 0.00 54.97 55.54 1fm0 s GLU 71 Cb -0.23 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 1fm0 s GLU 71 CO 0.37 -0.16 -0.07 0.08 -0.54 0.00 0.00 175.26 174.94 1fm0 s VAL 72 N 1.52 3.68 -0.01 3.70 1.01 -0.01 -0.64 120.40 129.64 1fm0 s VAL 72 Ca 0.06 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1fm0 s VAL 72 Cb -0.15 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 1fm0 s VAL 72 CO 0.02 0.54 -0.12 0.00 0.00 0.00 0.00 175.10 175.55 1fm0 s ALA 73 N -0.86 0.99 -0.09 5.51 0.00 -0.37 -0.87 121.76 126.08 1fm0 s ALA 73 Ca 0.14 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1fm0 s ALA 73 Cb -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1fm0 s ALA 73 CO 0.03 0.23 -0.22 -0.06 0.00 0.00 0.00 175.76 175.74 1fm0 s PHE 74 N -0.20 2.58 0.16 0.00 0.40 -0.73 -1.39 117.98 118.79 1fm0 s PHE 74 Ca 0.03 -0.81 -0.22 0.00 -0.60 0.00 0.00 56.93 55.33 1fm0 s PHE 74 Cb -0.05 -1.69 0.07 0.00 0.51 0.00 0.00 43.02 41.85 1fm0 s PHE 74 CO -0.00 -0.28 0.57 -0.59 0.70 0.00 0.00 175.22 175.63 1fm0 s PHE 75 N 0.11 -0.49 0.81 0.36 -0.12 -0.89 -3.13 117.98 114.63 1fm0 s PHE 75 Ca -0.11 0.27 -0.11 0.00 -0.05 0.00 0.00 56.93 56.93 1fm0 s PHE 75 Cb -0.16 0.52 0.09 0.00 -0.63 0.00 0.00 43.02 42.85 1fm0 s PHE 75 CO 0.06 -0.83 1.17 -1.25 -0.05 0.00 0.00 175.22 174.32 1fm0 s PRO 76 N -3.76 1.82 0.23 1.99 0.04 -1.26 -1.13 135.00 132.93 1fm0 s PRO 76 Ca 0.01 -0.05 -0.29 0.00 0.04 0.00 0.00 61.00 60.72 1fm0 s PRO 76 Cb -0.01 -1.98 -0.15 0.00 0.04 0.00 0.00 34.50 32.40 1fm0 s PRO 76 CO -0.13 -1.64 0.88 -2.30 0.04 0.00 0.00 177.00 173.85 1fm0 n PRO 77 N -3.30 0.84 -2.44 0.56 -0.02 -1.26 -4.78 135.00 124.61 1fm0 n PRO 77 Ca 0.09 0.30 -0.31 0.00 -2.02 0.00 0.00 63.50 61.56 1fm0 n PRO 77 Cb 0.61 -1.57 -0.02 0.00 -0.02 0.00 0.00 33.50 32.49 1fm0 n PRO 77 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1fm0 s VAL 78 N -0.87 4.67 -0.05 -1.45 -7.23 -1.26 -5.03 120.40 109.18 1fm0 s VAL 78 Ca 0.64 0.90 0.24 0.00 -1.81 0.00 0.00 61.98 61.94 1fm0 s VAL 78 Cb -0.82 -3.77 0.44 0.00 0.56 0.00 0.00 36.38 32.79 1fm0 s VAL 78 CO 0.57 -0.75 1.17 0.35 -0.31 0.00 0.00 175.10 176.14 1fm0 n THR 79 N -1.79 0.41 -1.11 5.32 -2.24 -1.26 -5.11 114.28 108.50 1fm0 n THR 79 Ca 0.05 -1.48 -0.08 0.00 -2.27 0.00 0.00 64.05 60.27 1fm0 n THR 79 Cb 0.54 0.84 0.06 0.00 -2.10 0.00 0.00 70.33 69.67 1fm0 n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fm0 n GLY 80 N 0.19 -1.51 3.01 3.38 0.00 -1.26 -5.35 105.19 103.65 1fm0 n GLY 80 Ca 0.08 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1fm0 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93