#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucp n GLY 2 N 0.00 0.72 0.38 -5.12 0.00 -1.26 -4.90 105.19 95.01 1ucp n GLY 2 Ca 0.00 -1.81 0.20 0.00 0.00 0.00 0.00 46.02 44.41 1ucp n GLY 2 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ucp h ARG 3 N 5.04 0.48 0.46 1.61 -0.00 -1.89 0.94 114.38 121.02 1ucp h ARG 3 Ca 0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.43 1ucp h ARG 3 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 29.87 1ucp h ARG 3 CO 0.00 0.32 -0.22 0.00 0.00 0.00 0.00 179.97 180.07 1ucp h ALA 4 N 1.65 -0.61 -0.69 0.04 0.00 -1.84 -0.27 119.26 117.55 1ucp h ALA 4 Ca 0.60 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1ucp h ALA 4 Cb 1.33 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 1ucp h ALA 4 CO -0.35 -0.76 0.44 0.00 0.00 0.00 0.00 179.25 178.58 1ucp h ARG 5 N -0.78 0.91 -0.75 0.00 3.08 -1.61 -0.65 114.38 114.59 1ucp h ARG 5 Ca -0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1ucp h ARG 5 Cb 0.55 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1ucp h ARG 5 CO 0.10 0.62 0.48 -0.44 -1.07 0.00 0.00 179.97 179.66 1ucp h ASP 6 N 0.93 0.87 0.17 7.04 3.32 -0.71 0.23 116.42 128.28 1ucp h ASP 6 Ca 0.25 -0.03 -0.23 0.00 0.02 0.00 0.00 57.03 57.03 1ucp h ASP 6 Cb -0.08 -0.22 0.03 0.00 0.22 0.00 0.00 39.33 39.28 1ucp h ASP 6 CO -0.05 0.64 -1.01 0.00 -1.72 0.00 0.00 179.24 177.10 1ucp h ALA 7 N 1.26 -0.11 -0.36 3.45 0.00 -0.83 -1.51 119.26 121.15 1ucp h ALA 7 Ca 0.27 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1ucp h ALA 7 Cb -0.09 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ucp h ALA 7 CO -0.06 0.47 0.12 0.82 0.00 0.00 0.00 179.25 180.61 1ucp h ILE 8 N -0.20 1.21 0.35 0.00 2.04 -1.04 0.43 117.51 120.29 1ucp h ILE 8 Ca -0.18 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 1ucp h ILE 8 Cb 1.80 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.82 1ucp h ILE 8 CO 0.19 0.23 -0.36 0.25 0.00 0.00 0.00 178.15 178.47 1ucp h LEU 9 N 0.44 -0.96 -1.30 1.44 7.12 -1.02 -0.93 115.31 120.09 1ucp h LEU 9 Ca 0.12 0.08 0.13 0.00 0.13 0.00 0.00 57.88 58.35 1ucp h LEU 9 Cb 0.24 0.33 -0.07 0.00 -0.53 0.00 0.00 40.66 40.63 1ucp h LEU 9 CO -0.00 -0.50 0.56 0.44 -0.13 0.00 0.00 178.44 178.81 1ucp h ASP 10 N -0.74 0.66 0.29 1.25 3.32 -1.18 -1.42 116.42 118.60 1ucp h ASP 10 Ca -0.02 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1ucp h ASP 10 Cb 0.66 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1ucp h ASP 10 CO -0.06 0.34 -0.14 0.00 -1.72 0.00 0.00 179.24 177.66 1ucp h ALA 11 N 1.60 -0.39 -0.78 3.45 0.00 0.11 -0.59 119.26 122.66 1ucp h ALA 11 Ca 0.43 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1ucp h ALA 11 Cb 0.66 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1ucp h ALA 11 CO -0.19 -0.70 0.35 -0.07 0.00 0.00 0.00 179.25 178.64 1ucp h LEU 12 N -0.42 1.05 -0.65 0.00 -0.00 -0.39 -0.38 115.31 114.52 1ucp h LEU 12 Ca -0.04 -0.15 0.03 0.00 -0.00 0.00 0.00 57.88 57.72 1ucp h LEU 12 Cb 0.32 -0.27 -0.04 0.00 -0.00 0.00 0.00 40.66 40.67 1ucp h LEU 12 CO 0.07 0.91 0.40 -0.33 -0.00 0.00 0.00 178.44 179.49 1ucp h GLU 13 N 1.12 0.75 0.00 1.13 4.39 -1.20 -1.57 114.58 119.21 1ucp h GLU 13 Ca 0.27 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1ucp h GLU 13 Cb 0.16 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1ucp h GLU 13 CO -0.03 0.50 0.00 0.09 -1.16 0.00 0.00 179.01 178.41 1ucp n ASN 14 N -4.71 0.00 -4.92 1.42 3.02 -0.24 -4.81 115.26 105.03 1ucp n ASN 14 Ca 0.07 0.21 -0.27 0.00 -0.03 0.00 0.00 54.58 54.56 1ucp n ASN 14 Cb 0.09 -0.39 0.05 0.00 -0.61 0.00 0.00 39.78 38.92 1ucp n ASN 14 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ucp s LEU 15 N -2.78 2.98 0.47 3.41 1.43 -0.22 -5.05 118.68 118.92 1ucp s LEU 15 Ca 0.17 0.69 0.04 0.00 -1.03 0.00 0.00 54.13 54.00 1ucp s LEU 15 Cb 0.15 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 1ucp s LEU 15 CO 0.39 -1.36 0.02 0.42 0.23 0.00 0.00 176.35 176.05 1ucp s THR 16 N -3.18 1.56 0.18 5.49 -4.23 -1.26 -4.93 115.64 109.27 1ucp s THR 16 Ca 0.57 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 58.96 1ucp s THR 16 Cb -0.11 -2.54 0.10 0.00 1.34 0.00 0.00 72.50 71.29 1ucp s THR 16 CO 0.46 0.00 1.70 0.00 -0.54 0.00 0.00 174.62 176.24 1ucp h ALA 17 N 1.52 0.46 -0.50 3.99 0.00 -1.98 0.18 119.26 122.93 1ucp h ALA 17 Ca -0.44 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1ucp h ALA 17 Cb 1.28 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1ucp h ALA 17 CO 0.77 -0.36 -0.01 1.49 0.00 0.00 0.00 179.25 181.13 1ucp h GLU 18 N 0.15 0.83 -0.06 0.00 4.57 -1.99 -0.60 114.58 117.48 1ucp h GLU 18 Ca 0.23 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1ucp h GLU 18 Cb 0.33 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1ucp h GLU 18 CO -0.36 0.84 -0.07 0.93 -1.18 0.00 0.00 179.01 179.17 1ucp h GLU 19 N 0.77 0.15 -0.78 1.92 4.39 -1.71 -1.82 114.58 117.51 1ucp h GLU 19 Ca 0.15 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1ucp h GLU 19 Cb 0.48 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1ucp h GLU 19 CO 0.02 0.62 0.41 -0.07 -1.16 0.00 0.00 179.01 178.84 1ucp h LEU 20 N -0.31 0.97 0.35 1.33 3.38 -0.58 0.24 115.31 120.69 1ucp h LEU 20 Ca 0.01 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ucp h LEU 20 Cb 0.60 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1ucp h LEU 20 CO 0.02 0.79 -0.44 0.50 0.09 0.00 0.00 178.44 179.40 1ucp h LYS 21 N 1.09 -0.80 -0.59 1.13 3.64 -1.07 -0.43 116.57 119.53 1ucp h LYS 21 Ca 0.27 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1ucp h LYS 21 Cb 0.04 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1ucp h LYS 21 CO -0.04 -0.54 0.37 0.87 -2.27 0.00 0.00 179.45 177.84 1ucp h LYS 22 N -0.83 0.79 0.17 1.90 1.79 -0.72 -1.17 116.57 118.50 1ucp h LYS 22 Ca -0.03 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1ucp h LYS 22 Cb 0.76 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.21 1ucp h LYS 22 CO -0.12 0.55 -0.33 0.35 -1.08 0.00 0.00 179.45 178.83 1ucp h PHE 23 N 0.80 -0.89 0.00 -1.35 3.57 -0.37 0.14 116.94 118.84 1ucp h PHE 23 Ca 0.21 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1ucp h PHE 23 Cb -0.05 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1ucp h PHE 23 CO -0.03 -0.44 -0.07 0.87 -2.23 0.00 0.00 178.31 176.41 1ucp h LYS 24 N -0.59 0.00 0.00 1.11 1.57 -0.78 0.17 116.57 118.05 1ucp h LYS 24 Ca 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ucp h LYS 24 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1ucp h LYS 24 CO -0.16 0.07 -0.00 -0.07 -0.57 0.00 0.00 179.45 178.71 1ucp h LEU 25 N 0.00 0.00 -1.21 2.94 3.38 -0.59 -3.31 115.31 116.52 1ucp h LEU 25 Ca -0.00 -0.85 0.07 0.00 0.09 0.00 0.00 57.88 57.19 1ucp h LEU 25 Cb 0.13 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1ucp h LEU 25 CO 0.01 0.86 0.56 0.11 0.09 0.00 0.00 178.44 180.07 1ucp h LYS 26 N -0.85 0.91 0.00 1.13 1.79 -0.18 0.32 116.57 119.69 1ucp h LYS 26 Ca -0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1ucp h LYS 26 Cb 0.86 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1ucp h LYS 26 CO 0.00 0.60 0.04 1.28 -1.08 0.00 0.00 179.45 180.29 1ucp n LEU 27 N -4.49 0.17 -2.82 2.94 4.77 0.53 -1.15 117.00 116.96 1ucp n LEU 27 Ca 0.13 0.55 -0.01 0.00 -0.03 0.00 0.00 56.01 56.65 1ucp n LEU 27 Cb 0.23 -0.57 0.05 0.00 -2.33 0.00 0.00 43.42 40.80 1ucp n LEU 27 CO 0.33 -0.61 0.02 -0.11 -1.33 0.00 0.00 177.39 175.69 1ucp n LEU 28 N -1.71 1.38 -0.02 2.23 0.00 0.02 -4.78 117.00 114.12 1ucp n LEU 28 Ca -0.00 -3.09 -0.02 0.00 0.00 0.00 0.00 56.01 52.90 1ucp n LEU 28 Cb 0.05 0.45 -0.05 0.00 0.00 0.00 0.00 43.42 43.88 1ucp n LEU 28 CO 0.03 1.11 -0.66 -0.24 0.00 0.00 0.00 177.39 177.63 1ucp n SER 29 N -0.61 3.59 -4.06 1.96 2.88 -0.30 -4.97 113.62 112.12 1ucp n SER 29 Ca 0.06 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.35 1ucp n SER 29 Cb 0.81 0.78 -0.16 0.00 -0.75 0.00 0.00 64.21 64.88 1ucp n SER 29 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ucp s VAL 30 N -2.20 1.23 0.32 2.46 0.11 -1.25 -5.07 120.40 116.01 1ucp s VAL 30 Ca -0.03 -0.55 -0.29 0.00 -2.93 0.00 0.00 61.98 58.18 1ucp s VAL 30 Cb 0.02 -1.11 -0.11 0.00 -1.53 0.00 0.00 36.38 33.66 1ucp s VAL 30 CO 0.24 0.37 1.51 -2.16 -3.33 0.00 0.00 175.10 171.73 1ucp s PRO 31 N 0.50 4.16 0.81 1.54 0.04 -1.26 -4.98 135.00 135.80 1ucp s PRO 31 Ca -0.12 2.51 -0.09 0.00 0.04 0.00 0.00 61.00 63.33 1ucp s PRO 31 Cb -0.15 -3.02 0.12 0.00 0.04 0.00 0.00 34.50 31.50 1ucp s PRO 31 CO 0.04 -0.53 1.13 -1.17 0.04 0.00 0.00 177.00 176.51 1ucp s LEU 32 N -1.20 2.79 0.77 -3.56 2.96 -1.26 -5.06 118.68 114.11 1ucp s LEU 32 Ca 0.57 0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 54.62 1ucp s LEU 32 Cb -0.46 -2.60 0.05 0.00 0.50 0.00 0.00 46.19 43.68 1ucp s LEU 32 CO 0.53 -2.07 1.08 -0.13 -1.32 0.00 0.00 176.35 174.44 1ucp s ARG 33 N -5.47 2.29 0.32 1.98 0.52 -1.26 -5.03 118.95 112.30 1ucp s ARG 33 Ca 0.66 0.87 -0.19 0.00 -0.52 0.00 0.00 55.73 56.55 1ucp s ARG 33 Cb -0.07 -1.92 -0.09 0.00 0.52 0.00 0.00 34.95 33.38 1ucp s ARG 33 CO 0.48 -1.54 0.82 -2.00 0.02 0.00 0.00 175.30 173.08 1ucp s GLU 34 N -5.04 4.20 0.00 3.54 2.12 -1.26 -3.70 118.70 118.57 1ucp s GLU 34 Ca 0.60 0.92 0.00 0.00 0.36 0.00 0.00 54.97 56.86 1ucp s GLU 34 Cb -0.15 -2.54 0.00 0.00 0.26 0.00 0.00 34.13 31.70 1ucp s GLU 34 CO 0.55 0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.87 1ucp n GLY 35 N -0.03 0.60 3.14 -1.50 0.00 -1.26 -5.06 105.19 101.09 1ucp n GLY 35 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1ucp n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ucp s TYR 36 N -2.32 0.76 0.77 1.61 2.02 -1.24 -5.13 117.35 113.82 1ucp s TYR 36 Ca 0.00 -0.97 -0.05 0.00 -0.37 0.00 0.00 57.07 55.69 1ucp s TYR 36 Cb 0.00 -0.47 0.14 0.00 -0.40 0.00 0.00 41.96 41.23 1ucp s TYR 36 CO 0.00 -0.23 1.07 0.20 -1.57 0.00 0.00 175.55 175.02 1ucp s GLY 37 N -3.00 1.76 -0.21 0.71 0.00 -1.26 -4.89 107.32 100.43 1ucp s GLY 37 Ca 0.10 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.28 1ucp s GLY 37 CO -0.07 -0.95 -0.10 0.50 0.00 0.00 0.00 173.10 172.48 1ucp s ARG 38 N -5.31 2.07 -0.28 2.90 1.81 -1.26 -4.92 118.95 113.96 1ucp s ARG 38 Ca 0.67 -0.96 -0.20 0.00 -1.72 0.00 0.00 55.73 53.52 1ucp s ARG 38 Cb -0.05 -2.55 -0.02 0.00 -0.45 0.00 0.00 34.95 31.88 1ucp s ARG 38 CO 0.46 -0.47 0.60 0.42 -0.68 0.00 0.00 175.30 175.63 1ucp s ILE 39 N 1.33 4.98 0.56 1.52 1.01 -1.26 -5.07 121.20 124.27 1ucp s ILE 39 Ca -0.03 0.93 -0.07 0.00 0.00 0.00 0.00 60.65 61.48 1ucp s ILE 39 Cb -0.17 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 1ucp s ILE 39 CO -0.08 -0.04 0.90 -2.16 0.00 0.00 0.00 174.94 173.57 1ucp s PRO 40 N 2.50 3.33 0.17 2.79 0.04 -1.26 -4.68 135.00 137.89 1ucp s PRO 40 Ca 0.24 0.29 -0.14 0.00 0.04 0.00 0.00 61.00 61.43 1ucp s PRO 40 Cb -0.15 -2.25 0.07 0.00 0.04 0.00 0.00 34.50 32.20 1ucp s PRO 40 CO 0.10 -0.49 1.82 -0.09 0.04 0.00 0.00 177.00 178.38 1ucp h ARG 41 N -0.08 0.62 -0.57 4.56 2.43 -1.91 -0.74 114.38 118.69 1ucp h ARG 41 Ca -0.46 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1ucp h ARG 41 Cb 1.22 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1ucp h ARG 41 CO 0.62 0.41 0.36 0.78 -1.51 0.00 0.00 179.97 180.63 1ucp h GLY 42 N 0.64 0.81 0.94 2.80 0.00 -1.95 -0.16 103.07 106.16 1ucp h GLY 42 Ca 0.19 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1ucp h GLY 42 CO -0.06 0.31 -0.08 0.00 0.00 0.00 0.00 176.54 176.71 1ucp h ALA 43 N 1.19 -0.18 -0.91 3.60 0.00 -1.88 -1.58 119.26 119.51 1ucp h ALA 43 Ca 0.21 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1ucp h ALA 43 Cb -0.06 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1ucp h ALA 43 CO -0.04 -0.61 0.56 -0.07 0.00 0.00 0.00 179.25 179.09 1ucp h LEU 44 N -0.19 0.85 -0.61 0.00 3.38 -0.60 0.02 115.31 118.16 1ucp h LEU 44 Ca -0.01 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1ucp h LEU 44 Cb 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ucp h LEU 44 CO -0.00 0.50 -0.67 -0.07 0.09 0.00 0.00 178.44 178.29 1ucp h LEU 45 N 0.96 0.17 -0.94 1.67 4.07 -0.89 -3.02 115.31 117.34 1ucp h LEU 45 Ca 0.42 -0.11 -0.08 0.00 0.08 0.00 0.00 57.88 58.20 1ucp h LEU 45 Cb 0.31 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 1ucp h LEU 45 CO -0.22 0.79 -0.03 0.77 -1.08 0.00 0.00 178.44 178.66 1ucp h SER 46 N 0.10 0.71 -4.21 -0.43 4.64 -0.14 -3.43 113.55 110.79 1ucp h SER 46 Ca -0.01 -0.18 -0.48 0.00 -0.47 0.00 0.00 61.79 60.65 1ucp h SER 46 Cb 1.19 -0.19 0.13 0.00 -0.31 0.00 0.00 62.40 63.22 1ucp h SER 46 CO 0.10 0.80 0.30 -0.04 -0.87 0.00 0.00 176.83 177.12 1ucp s MET 47 N -4.92 1.67 0.00 4.77 -1.94 -0.15 -5.10 119.30 113.63 1ucp s MET 47 Ca -0.09 0.63 0.00 0.00 -1.71 0.00 0.00 55.69 54.52 1ucp s MET 47 Cb 0.15 -1.87 0.00 0.00 2.01 0.00 0.00 34.83 35.11 1ucp s MET 47 CO 0.81 -1.91 0.00 -0.40 -0.01 0.00 0.00 175.02 173.51 1ucp n ASP 48 N -3.63 1.48 0.35 3.03 5.75 -1.26 -4.90 116.55 117.37 1ucp n ASP 48 Ca 0.07 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.67 1ucp n ASP 48 Cb 0.56 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.57 1ucp n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ucp h ALA 49 N 1.00 -0.88 -0.28 2.12 0.00 -1.95 0.19 119.26 119.45 1ucp h ALA 49 Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1ucp h ALA 49 Cb 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ucp h ALA 49 CO 0.00 -1.00 -0.01 1.25 0.00 0.00 0.00 179.25 179.49 1ucp h LEU 50 N -0.88 0.50 -0.89 0.00 5.85 -1.97 0.40 115.31 118.31 1ucp h LEU 50 Ca -0.08 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.35 1ucp h LEU 50 Cb 0.69 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 1ucp h LEU 50 CO 0.13 0.70 0.58 0.44 -0.34 0.00 0.00 178.44 179.94 1ucp h ASP 51 N 0.29 0.96 0.68 1.25 3.32 -1.96 -1.23 116.42 119.73 1ucp h ASP 51 Ca 0.08 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1ucp h ASP 51 Cb 0.45 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.78 1ucp h ASP 51 CO 0.02 0.67 -0.33 0.25 -1.72 0.00 0.00 179.24 178.13 1ucp h LEU 52 N 1.13 -0.77 -0.51 1.55 5.85 -0.65 -0.78 115.31 121.13 1ucp h LEU 52 Ca 0.35 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.18 1ucp h LEU 52 Cb -0.01 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 1ucp h LEU 52 CO -0.11 -0.51 -0.28 0.74 -0.34 0.00 0.00 178.44 177.94 1ucp h THR 53 N -0.97 0.26 -0.04 1.05 2.02 -0.44 0.31 112.91 115.11 1ucp h THR 53 Ca -0.09 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.92 1ucp h THR 53 Cb 0.71 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1ucp h THR 53 CO 0.15 0.00 -0.72 0.44 0.37 0.00 0.00 175.52 175.76 1ucp h ASP 54 N -0.16 0.24 0.77 4.18 5.19 -1.27 0.04 116.42 125.41 1ucp h ASP 54 Ca 0.22 -0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 1ucp h ASP 54 Cb 0.51 -0.07 0.01 0.00 0.18 0.00 0.00 39.33 39.96 1ucp h ASP 54 CO -0.60 0.88 -0.37 0.50 -3.12 0.00 0.00 179.24 176.53 1ucp h LYS 55 N 0.14 -1.00 -0.57 3.56 1.63 -0.14 -1.78 116.57 118.40 1ucp h LYS 55 Ca -0.02 0.07 0.11 0.00 -0.85 0.00 0.00 60.65 59.96 1ucp h LYS 55 Cb 1.28 0.23 -0.09 0.00 -0.60 0.00 0.00 32.23 33.05 1ucp h LYS 55 CO 0.11 -0.67 0.08 1.25 -3.45 0.00 0.00 179.45 176.78 1ucp h LEU 56 N -1.16 -0.08 0.38 5.20 7.12 -0.38 0.26 115.31 126.65 1ucp h LEU 56 Ca -0.11 0.12 -0.02 0.00 0.13 0.00 0.00 57.88 58.00 1ucp h LEU 56 Cb 0.79 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.10 1ucp h LEU 56 CO 0.17 -0.02 -0.18 0.58 -0.13 0.00 0.00 178.44 178.86 1ucp h VAL 57 N 0.21 0.63 -0.46 1.05 2.07 -1.04 -2.26 116.25 116.45 1ucp h VAL 57 Ca 0.29 -0.30 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1ucp h VAL 57 Cb 0.44 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1ucp h VAL 57 CO -0.41 0.06 -0.22 -1.28 0.02 0.00 0.00 177.57 175.73 1ucp h SER 58 N -0.68 0.96 1.20 0.57 0.87 -0.73 -1.84 113.55 113.90 1ucp h SER 58 Ca -0.05 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1ucp h SER 58 Cb 0.48 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1ucp h SER 58 CO 0.09 1.14 0.00 0.15 -0.53 0.00 0.00 176.83 177.67 1ucp h PHE 59 N 0.81 0.00 0.00 2.24 3.57 -0.56 -3.42 116.94 119.58 1ucp h PHE 59 Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1ucp h PHE 59 Cb 0.79 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1ucp h PHE 59 CO 0.05 0.00 0.00 0.66 -2.23 0.00 0.00 178.31 176.79 1ucp n TYR 60 N -2.77 0.00 -3.55 0.41 4.01 -0.85 -4.30 117.16 110.12 1ucp n TYR 60 Ca 0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.67 1ucp n TYR 60 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.36 1ucp n TYR 60 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ucp s LEU 61 N 0.00 -0.41 0.24 7.72 2.01 -0.70 -4.96 118.68 122.58 1ucp s LEU 61 Ca 0.00 -0.13 0.23 0.00 0.01 0.00 0.00 54.13 54.24 1ucp s LEU 61 Cb 0.00 2.36 0.95 0.00 0.01 0.00 0.00 46.19 49.51 1ucp s LEU 61 CO 0.00 -0.89 1.69 -0.62 1.01 0.00 0.00 176.35 177.54 1ucp n GLU 62 N -0.35 0.18 -0.05 1.70 1.02 -1.26 -0.99 120.64 120.89 1ucp n GLU 62 Ca -0.11 0.41 -0.04 0.00 -0.02 0.00 0.00 57.16 57.40 1ucp n GLU 62 Cb 0.63 -1.84 -0.01 0.00 -0.02 0.00 0.00 31.44 30.19 1ucp n GLU 62 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ucp n THR 63 N -2.18 0.84 0.17 2.62 -1.04 -1.26 -4.35 114.28 109.08 1ucp n THR 63 Ca 0.02 0.31 0.14 0.00 -2.04 0.00 0.00 64.05 62.49 1ucp n THR 63 Cb 0.22 -2.00 0.73 0.00 -1.82 0.00 0.00 70.33 67.46 1ucp n THR 63 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1ucp h TYR 64 N -0.57 0.00 0.16 -1.42 5.03 -1.95 -2.10 116.97 116.13 1ucp h TYR 64 Ca 0.00 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.32 1ucp h TYR 64 Cb 0.45 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.70 1ucp h TYR 64 CO -0.19 0.00 -0.22 0.78 -1.32 0.00 0.00 178.16 177.21 1ucp h GLY 65 N 0.00 -0.43 1.71 1.82 0.00 -1.30 0.19 103.07 105.05 1ucp h GLY 65 Ca 0.10 0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 1ucp h GLY 65 CO -0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 176.54 176.13 1ucp h ALA 66 N 0.32 1.28 -0.08 3.60 0.00 -1.59 0.14 119.26 122.92 1ucp h ALA 66 Ca 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1ucp h ALA 66 Cb 0.43 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ucp h ALA 66 CO -0.09 0.48 0.03 1.49 0.00 0.00 0.00 179.25 181.17 1ucp h GLU 67 N 0.32 0.13 0.17 0.00 4.81 -1.11 -1.02 114.58 117.88 1ucp h GLU 67 Ca 0.05 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1ucp h GLU 67 Cb 0.56 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1ucp h GLU 67 CO 0.04 0.25 -0.29 1.25 -0.73 0.00 0.00 179.01 179.53 1ucp h LEU 68 N -0.02 -0.81 0.06 1.64 6.46 -0.38 -0.79 115.31 121.47 1ucp h LEU 68 Ca 0.03 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.90 1ucp h LEU 68 Cb 0.17 0.30 -0.05 0.00 -0.73 0.00 0.00 40.66 40.35 1ucp h LEU 68 CO -0.00 -0.39 -0.38 0.74 -0.62 0.00 0.00 178.44 177.79 1ucp h THR 69 N -0.54 0.21 -0.36 1.05 2.02 -0.84 0.10 112.91 114.57 1ucp h THR 69 Ca 0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1ucp h THR 69 Cb 0.54 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1ucp h THR 69 CO -0.13 0.00 0.20 0.00 0.37 0.00 0.00 175.52 175.96 1ucp h ALA 70 N 0.01 1.68 0.53 6.16 0.00 -1.08 0.73 119.26 127.29 1ucp h ALA 70 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ucp h ALA 70 Cb 0.63 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ucp h ALA 70 CO -0.26 0.27 -0.25 -0.97 0.00 0.00 0.00 179.25 178.04 1ucp h ASN 71 N 0.49 -0.60 -0.35 0.00 -1.24 0.29 -1.48 115.58 112.70 1ucp h ASN 71 Ca 0.13 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 1ucp h ASN 71 Cb 0.00 0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 1ucp h ASN 71 CO -0.02 -0.23 0.17 0.58 -1.29 0.00 0.00 177.43 176.63 1ucp h VAL 72 N -1.03 1.15 -0.26 2.57 2.07 -0.73 0.22 116.25 120.23 1ucp h VAL 72 Ca -0.07 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1ucp h VAL 72 Cb 0.62 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1ucp h VAL 72 CO 0.12 0.17 0.14 -0.07 0.02 0.00 0.00 177.57 177.95 1ucp h LEU 73 N 0.55 0.33 -1.74 2.57 3.38 -0.84 -0.67 115.31 118.88 1ucp h LEU 73 Ca 0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1ucp h LEU 73 Cb 0.09 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ucp h LEU 73 CO -0.02 0.32 -0.16 -0.09 0.09 0.00 0.00 178.44 178.58 1ucp h ARG 74 N 0.30 0.00 -0.15 1.13 2.43 -0.23 -0.45 114.38 117.41 1ucp h ARG 74 Ca 0.09 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 1ucp h ARG 74 Cb 0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1ucp h ARG 74 CO -0.01 0.16 -0.29 0.22 -1.51 0.00 0.00 179.97 178.54 1ucp h ASP 75 N 0.00 0.28 -0.07 -3.80 3.58 -0.03 -2.01 116.42 114.37 1ucp h ASP 75 Ca -0.00 -0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.26 1ucp h ASP 75 Cb 0.32 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1ucp h ASP 75 CO 0.02 0.57 -0.23 0.24 -2.88 0.00 0.00 179.24 176.96 1ucp h MET 76 N 0.25 0.49 0.00 0.28 2.86 0.32 -3.47 114.93 115.67 1ucp h MET 76 Ca 0.04 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1ucp h MET 76 Cb 0.64 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1ucp h MET 76 CO 0.05 0.69 0.00 0.41 1.06 0.00 0.00 176.91 179.12 1ucp n GLY 77 N -0.41 0.96 3.65 8.32 0.00 -0.68 -5.11 105.19 111.92 1ucp n GLY 77 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ucp n GLY 77 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ucp s LEU 78 N 0.00 4.05 -0.02 0.99 0.20 -0.34 -4.87 118.68 118.69 1ucp s LEU 78 Ca 0.00 1.54 0.02 0.00 0.69 0.00 0.00 54.13 56.38 1ucp s LEU 78 Cb 0.00 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.20 1ucp s LEU 78 CO 0.00 -0.95 0.01 0.00 -0.29 0.00 0.00 176.35 175.12 1ucp n GLN 79 N 7.02 3.60 0.20 1.98 -0.00 -1.26 -2.16 117.38 126.76 1ucp n GLN 79 Ca 0.15 -0.00 -0.08 0.00 -0.00 0.00 0.00 57.00 57.07 1ucp n GLN 79 Cb 0.45 -1.05 -0.04 0.00 -0.00 0.00 0.00 30.24 29.60 1ucp n GLN 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 1ucp h GLU 80 N 0.00 -0.49 -0.11 2.61 9.09 -1.99 -0.69 114.58 122.99 1ucp h GLU 80 Ca -0.06 0.03 -0.02 0.00 0.05 0.00 0.00 59.36 59.37 1ucp h GLU 80 Cb 1.13 0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 28.33 1ucp h GLU 80 CO 0.00 -0.32 -0.02 1.98 0.05 0.00 0.00 179.01 180.70 1ucp h MET 81 N -0.53 0.16 -0.83 1.06 1.85 -1.99 -1.71 114.93 112.94 1ucp h MET 81 Ca -0.05 -0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.05 1ucp h MET 81 Cb 0.39 -0.03 -0.05 0.00 0.43 0.00 0.00 31.60 32.34 1ucp h MET 81 CO 0.08 0.20 0.54 0.00 -0.40 0.00 0.00 176.91 177.33 1ucp h ALA 82 N 1.83 1.08 -0.25 0.39 0.00 -1.72 0.36 119.26 120.94 1ucp h ALA 82 Ca 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ucp h ALA 82 Cb 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ucp h ALA 82 CO 0.00 0.38 0.04 0.78 0.00 0.00 0.00 179.25 180.46 1ucp h GLY 83 N 1.05 0.45 0.88 0.00 0.00 -0.45 -1.84 103.07 103.17 1ucp h GLY 83 Ca 0.32 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.37 1ucp h GLY 83 CO -0.10 0.28 0.16 1.46 0.00 0.00 0.00 176.54 178.34 1ucp h GLN 84 N 0.23 0.33 -0.35 4.80 1.08 -0.81 -1.90 115.11 118.49 1ucp h GLN 84 Ca 0.08 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1ucp h GLN 84 Cb 0.33 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1ucp h GLN 84 CO 0.01 0.22 0.17 1.25 -0.95 0.00 0.00 178.83 179.53 1ucp h LEU 85 N 0.34 0.25 -0.03 1.46 5.85 -0.22 0.41 115.31 123.37 1ucp h LEU 85 Ca 0.13 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1ucp h LEU 85 Cb 0.03 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1ucp h LEU 85 CO -0.08 0.19 0.01 -0.61 -0.34 0.00 0.00 178.44 177.61 1ucp h GLN 86 N 0.35 0.05 0.00 1.25 4.15 -1.30 -1.25 115.11 118.37 1ucp h GLN 86 Ca 0.15 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1ucp h GLN 86 Cb 0.06 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 1ucp h GLN 86 CO -0.10 0.27 -0.02 0.00 -1.93 0.00 0.00 178.83 177.05 1ucp h ALA 87 N 0.78 1.08 0.01 3.38 0.00 -0.66 -0.46 119.26 123.39 1ucp h ALA 87 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ucp h ALA 87 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ucp h ALA 87 CO 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 179.25 179.28 1ucp h ALA 88 N 1.98 -0.01 -0.20 0.00 0.00 -0.10 -2.49 119.26 118.43 1ucp h ALA 88 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1ucp h ALA 88 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ucp h ALA 88 CO 0.00 -0.02 0.09 1.15 0.00 0.00 0.00 179.25 180.47 1ucp h THR 89 N -0.98 1.08 -0.78 0.00 2.02 -0.58 -3.39 112.91 110.27 1ucp h THR 89 Ca -0.00 -0.23 0.08 0.00 0.77 0.00 0.00 66.41 67.03 1ucp h THR 89 Cb 0.75 0.84 -0.20 0.00 -1.74 0.00 0.00 68.15 67.80 1ucp h THR 89 CO 0.00 0.09 -0.28 -2.28 0.37 0.00 0.00 175.52 173.42 1ucp s HIS 90 N -5.18 -1.46 -2.00 3.16 5.65 -0.24 -4.56 115.29 110.65 1ucp s HIS 90 Ca -0.06 0.84 0.13 0.00 0.25 0.00 0.00 55.06 56.21 1ucp s HIS 90 Cb 0.17 0.25 0.79 0.00 -1.18 0.00 0.00 32.58 32.61 1ucp s HIS 90 CO 0.71 -0.86 1.22 0.94 -0.65 0.00 0.00 174.74 176.10