#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 4.78 0.24 3.03 0.00 -1.26 -4.83 105.19 107.15 1ucp n GLY 2 Ca 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 0.19 -0.18 1.61 -0.00 -1.90 0.30 114.38 114.39 1ucp h ARG 3 Ca 0.00 -0.01 0.05 0.00 -0.50 0.00 0.00 59.98 59.52 1ucp h ARG 3 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 29.97 29.88 1ucp h ARG 3 CO 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 179.97 179.95 1ucp h ALA 4 N 1.53 -0.02 0.17 0.04 0.00 -1.86 -0.71 119.26 118.41 1ucp h ALA 4 Ca 0.33 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1ucp h ALA 4 Cb 0.52 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ucp h ALA 4 CO -0.47 -0.58 -0.08 0.00 0.00 0.00 0.00 179.25 178.12 1ucp h ARG 5 N -0.16 -0.22 -0.63 0.00 3.08 -1.18 -1.25 114.38 114.02 1ucp h ARG 5 Ca 0.11 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1ucp h ARG 5 Cb 0.32 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1ucp h ARG 5 CO -0.28 0.00 0.30 -0.44 -1.07 0.00 0.00 179.97 178.48 1ucp h ASP 6 N -0.41 0.81 -0.20 7.04 3.32 -0.40 0.67 116.42 127.24 1ucp h ASP 6 Ca -0.02 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 1ucp h ASP 6 Cb 0.32 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1ucp h ASP 6 CO 0.04 0.69 -0.03 0.00 -1.72 0.00 0.00 179.24 178.22 1ucp h ALA 7 N 1.44 0.28 -0.22 3.45 0.00 -1.06 -0.31 119.26 122.84 1ucp h ALA 7 Ca 0.22 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ucp h ALA 7 Cb 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ucp h ALA 7 CO -0.03 0.04 0.09 0.82 0.00 0.00 0.00 179.25 180.18 1ucp h ILE 8 N 0.12 0.97 -0.11 0.00 2.04 -0.59 -0.64 117.51 119.29 1ucp h ILE 8 Ca 0.05 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1ucp h ILE 8 Cb 0.46 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1ucp h ILE 8 CO 0.02 0.04 -0.03 0.25 0.00 0.00 0.00 178.15 178.42 1ucp h LEU 9 N 0.21 -0.11 -0.45 1.44 7.12 -0.80 0.91 115.31 123.63 1ucp h LEU 9 Ca 0.09 0.03 0.07 0.00 0.13 0.00 0.00 57.88 58.21 1ucp h LEU 9 Cb 0.04 0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 40.18 1ucp h LEU 9 CO -0.08 -0.04 0.08 0.44 -0.13 0.00 0.00 178.44 178.72 1ucp h ASP 10 N -0.00 -0.01 1.00 1.25 3.32 -0.87 -1.17 116.42 119.94 1ucp h ASP 10 Ca 0.05 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1ucp h ASP 10 Cb 0.09 0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.76 1ucp h ASP 10 CO -0.12 0.03 -0.48 0.00 -1.72 0.00 0.00 179.24 176.95 1ucp h ALA 11 N 1.35 -1.35 -0.86 3.45 0.00 -0.47 -1.32 119.26 120.05 1ucp h ALA 11 Ca 0.22 -0.29 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1ucp h ALA 11 Cb 0.28 0.52 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 1ucp h ALA 11 CO -0.29 -1.26 0.47 -0.07 0.00 0.00 0.00 179.25 178.10 1ucp h LEU 12 N -1.34 0.63 -0.48 0.00 -0.00 -0.68 -1.02 115.31 112.41 1ucp h LEU 12 Ca -0.14 0.07 -0.04 0.00 -0.00 0.00 0.00 57.88 57.78 1ucp h LEU 12 Cb 1.02 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.63 1ucp h LEU 12 CO 0.22 0.30 0.15 -0.33 -0.00 0.00 0.00 178.44 178.78 1ucp h GLU 13 N 0.72 0.74 0.00 1.13 5.08 -1.20 -2.57 114.58 118.49 1ucp h GLU 13 Ca 0.45 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1ucp h GLU 13 Cb 0.56 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1ucp h GLU 13 CO -0.32 0.71 0.00 -0.91 -1.00 0.00 0.00 179.01 177.49 1ucp h ASN 14 N 0.64 0.00 -3.88 1.42 2.35 0.01 -3.43 115.58 112.68 1ucp h ASN 14 Ca 0.15 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.43 1ucp h ASN 14 Cb 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1ucp h ASN 14 CO -0.00 0.00 0.21 -0.76 -1.65 0.00 0.00 177.43 175.22 1ucp s LEU 15 N -5.18 3.90 0.52 1.61 1.43 -0.87 -5.08 118.68 115.01 1ucp s LEU 15 Ca -0.03 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.48 1ucp s LEU 15 Cb 0.09 -4.25 0.02 0.00 0.03 0.00 0.00 46.19 42.08 1ucp s LEU 15 CO 0.31 -0.36 0.74 0.42 0.23 0.00 0.00 176.35 177.69 1ucp s THR 16 N -2.24 3.01 0.31 5.49 -4.23 -1.26 -4.87 115.64 111.86 1ucp s THR 16 Ca 0.56 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 1ucp s THR 16 Cb -0.10 -3.12 0.27 0.00 1.34 0.00 0.00 72.50 70.90 1ucp s THR 16 CO 0.22 -0.08 1.95 0.00 -0.54 0.00 0.00 174.62 176.18 1ucp h ALA 17 N 0.18 1.50 -0.21 3.99 0.00 -1.98 0.15 119.26 122.89 1ucp h ALA 17 Ca -0.43 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 1ucp h ALA 17 Cb 1.29 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ucp h ALA 17 CO 0.53 0.42 -0.58 1.49 0.00 0.00 0.00 179.25 181.11 1ucp h GLU 18 N 1.02 0.66 -0.26 0.00 4.81 -1.98 0.16 114.58 118.99 1ucp h GLU 18 Ca 0.32 -0.44 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1ucp h GLU 18 Cb 0.03 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1ucp h GLU 18 CO -0.09 1.05 0.05 0.93 -0.73 0.00 0.00 179.01 180.22 1ucp h GLU 19 N 0.50 0.42 -0.68 1.92 5.08 -1.75 -1.63 114.58 118.44 1ucp h GLU 19 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1ucp h GLU 19 Cb 1.15 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 1ucp h GLU 19 CO 0.12 0.53 0.43 -0.07 -1.00 0.00 0.00 179.01 179.02 1ucp h LEU 20 N 0.24 0.80 0.60 1.33 3.38 -0.62 0.18 115.31 121.23 1ucp h LEU 20 Ca 0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ucp h LEU 20 Cb 0.31 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ucp h LEU 20 CO 0.00 0.60 -0.44 0.50 0.09 0.00 0.00 178.44 179.19 1ucp h LYS 21 N 0.93 -0.97 -0.35 1.13 3.64 -0.40 0.81 116.57 121.36 1ucp h LYS 21 Ca 0.25 0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1ucp h LYS 21 Cb -0.07 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1ucp h LYS 21 CO -0.05 -0.64 -0.01 0.87 -2.27 0.00 0.00 179.45 177.34 1ucp h LYS 22 N -1.00 0.56 0.65 1.90 1.79 -0.82 -0.59 116.57 119.06 1ucp h LYS 22 Ca -0.07 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.24 1ucp h LYS 22 Cb 0.84 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 31.41 1ucp h LYS 22 CO 0.03 0.59 -0.31 0.35 -1.08 0.00 0.00 179.45 179.03 1ucp h PHE 23 N 0.53 -0.81 -0.58 -1.35 3.57 -0.50 0.90 116.94 118.71 1ucp h PHE 23 Ca 0.11 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1ucp h PHE 23 Cb 0.36 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1ucp h PHE 23 CO 0.01 -0.47 0.39 0.87 -2.23 0.00 0.00 178.31 176.88 1ucp h LYS 24 N -1.10 0.52 -0.07 1.11 1.57 -0.69 0.13 116.57 118.03 1ucp h LYS 24 Ca -0.09 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1ucp h LYS 24 Cb 0.71 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1ucp h LYS 24 CO 0.15 0.34 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.14 1ucp h LEU 25 N 0.53 0.27 -0.64 2.94 3.38 -1.07 -3.27 115.31 117.45 1ucp h LEU 25 Ca 0.25 -0.57 0.09 0.00 0.09 0.00 0.00 57.88 57.75 1ucp h LEU 25 Cb 0.32 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1ucp h LEU 25 CO -0.07 0.79 0.26 0.11 0.09 0.00 0.00 178.44 179.62 1ucp h LYS 26 N -0.24 0.45 -0.74 1.13 1.79 0.54 -0.35 116.57 119.14 1ucp h LYS 26 Ca 0.00 -0.03 0.21 0.00 -2.18 0.00 0.00 60.65 58.66 1ucp h LYS 26 Cb 0.75 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.27 1ucp h LYS 26 CO 0.04 0.30 0.61 -0.07 -1.08 0.00 0.00 179.45 179.24 1ucp h LEU 27 N 0.46 0.00 -3.38 2.94 3.38 -0.86 -0.78 115.31 117.07 1ucp h LEU 27 Ca 0.32 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.12 1ucp h LEU 27 Cb 0.38 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.91 1ucp h LEU 27 CO -0.30 0.00 -0.77 -0.11 0.09 0.00 0.00 178.44 177.35 1ucp n LEU 28 N -4.03 2.48 0.02 1.67 0.00 -0.40 -4.76 117.00 111.98 1ucp n LEU 28 Ca 0.15 -3.42 -0.00 0.00 0.00 0.00 0.00 56.01 52.74 1ucp n LEU 28 Cb 0.88 -0.24 -0.00 0.00 0.00 0.00 0.00 43.42 44.05 1ucp n LEU 28 CO 0.34 1.23 -0.01 -0.24 0.00 0.00 0.00 177.39 178.71 1ucp n SER 29 N -0.54 0.45 -4.67 1.96 2.88 -0.28 -4.94 113.62 108.48 1ucp n SER 29 Ca 0.18 0.06 -0.42 0.00 -1.33 0.00 0.00 58.87 57.36 1ucp n SER 29 Cb 0.88 -0.15 -0.03 0.00 -0.75 0.00 0.00 64.21 64.16 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 -1.41 3.29 -0.05 2.46 0.11 -0.96 -4.91 120.40 118.93 1ucp s VAL 30 Ca -0.00 0.51 -0.30 0.00 -2.93 0.00 0.00 61.98 59.26 1ucp s VAL 30 Cb 0.00 -3.33 -0.06 0.00 -1.53 0.00 0.00 36.38 31.46 1ucp s VAL 30 CO 0.01 -0.03 1.73 -2.16 -3.33 0.00 0.00 175.10 171.32 1ucp s PRO 31 N 3.56 4.13 0.86 1.54 0.04 -1.26 -4.89 135.00 138.98 1ucp s PRO 31 Ca 0.76 2.24 -0.11 0.00 0.04 0.00 0.00 61.00 63.93 1ucp s PRO 31 Cb -0.37 -4.04 0.15 0.00 0.04 0.00 0.00 34.50 30.29 1ucp s PRO 31 CO 0.33 -0.93 1.20 -1.17 0.04 0.00 0.00 177.00 176.47 1ucp s LEU 32 N 4.30 2.77 0.49 -3.56 0.20 -1.26 -5.03 118.68 116.58 1ucp s LEU 32 Ca 0.77 0.20 -0.20 0.00 0.69 0.00 0.00 54.13 55.59 1ucp s LEU 32 Cb -0.35 -2.43 -0.08 0.00 -0.43 0.00 0.00 46.19 42.90 1ucp s LEU 32 CO 0.32 -2.31 1.06 -0.13 -0.29 0.00 0.00 176.35 175.00 1ucp s ARG 33 N -5.61 3.71 0.24 1.98 0.52 -1.26 -5.03 118.95 113.50 1ucp s ARG 33 Ca 0.69 1.44 -0.23 0.00 -0.52 0.00 0.00 55.73 57.11 1ucp s ARG 33 Cb -0.06 -2.11 -0.09 0.00 0.52 0.00 0.00 34.95 33.22 1ucp s ARG 33 CO 0.50 -0.52 0.81 -2.00 0.02 0.00 0.00 175.30 174.11 1ucp s GLU 34 N -3.19 4.44 0.00 3.54 -6.30 -1.26 -3.60 118.70 112.33 1ucp s GLU 34 Ca 0.68 1.09 0.00 0.00 -2.50 0.00 0.00 54.97 54.24 1ucp s GLU 34 Cb -0.19 -2.95 0.00 0.00 0.00 0.00 0.00 34.13 31.00 1ucp s GLU 34 CO 0.22 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.31 1ucp n GLY 35 N 0.88 3.02 3.96 -1.50 0.00 -1.26 -5.05 105.19 105.24 1ucp n GLY 35 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.86 2.57 0.75 1.61 2.02 -1.24 -5.12 117.35 115.09 1ucp s TYR 36 Ca 0.00 -0.49 -0.12 0.00 -0.37 0.00 0.00 57.07 56.10 1ucp s TYR 36 Cb 0.00 -2.27 0.04 0.00 -0.40 0.00 0.00 41.96 39.33 1ucp s TYR 36 CO 0.00 -0.40 1.12 0.20 -1.57 0.00 0.00 175.55 174.90 1ucp s GLY 37 N -4.31 1.62 -0.11 0.71 0.00 -1.25 -4.95 107.32 99.03 1ucp s GLY 37 Ca 0.53 -0.43 -0.09 0.00 0.00 0.00 0.00 44.72 44.72 1ucp s GLY 37 CO 0.31 -0.02 0.28 0.50 0.00 0.00 0.00 173.10 174.18 1ucp s ARG 38 N -5.41 0.31 -0.06 2.90 0.52 -1.26 -4.93 118.95 111.01 1ucp s ARG 38 Ca 0.60 0.45 0.05 0.00 -0.52 0.00 0.00 55.73 56.31 1ucp s ARG 38 Cb -0.11 0.10 -0.01 0.00 0.52 0.00 0.00 34.95 35.44 1ucp s ARG 38 CO 0.51 -0.07 -0.23 0.42 0.02 0.00 0.00 175.30 175.95 1ucp s ILE 39 N 0.44 2.21 0.71 1.52 1.01 -1.26 -5.14 121.20 120.70 1ucp s ILE 39 Ca -0.02 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.50 1ucp s ILE 39 Cb -0.04 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.63 1ucp s ILE 39 CO -0.02 0.57 1.08 -2.16 0.00 0.00 0.00 174.94 174.41 1ucp s PRO 40 N -0.18 2.79 0.27 2.79 0.04 -1.26 -4.72 135.00 134.73 1ucp s PRO 40 Ca -0.03 0.63 0.08 0.00 0.04 0.00 0.00 61.00 61.72 1ucp s PRO 40 Cb -0.14 -2.00 0.36 0.00 0.04 0.00 0.00 34.50 32.77 1ucp s PRO 40 CO 0.04 -1.12 1.62 -0.09 0.04 0.00 0.00 177.00 177.49 1ucp h ARG 41 N -0.72 0.09 -0.08 4.56 1.12 -1.92 -1.81 114.38 115.62 1ucp h ARG 41 Ca -0.45 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.36 1ucp h ARG 41 Cb 1.24 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 31.20 1ucp h ARG 41 CO 0.61 0.64 0.05 0.78 -3.11 0.00 0.00 179.97 178.95 1ucp h GLY 42 N 1.61 0.12 0.46 2.80 0.00 -1.95 -0.65 103.07 105.46 1ucp h GLY 42 Ca -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.30 1ucp h GLY 42 CO 0.08 0.05 -0.27 0.00 0.00 0.00 0.00 176.54 176.39 1ucp h ALA 43 N 1.01 -0.42 -0.44 3.60 0.00 -1.90 -1.71 119.26 119.40 1ucp h ALA 43 Ca 0.03 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1ucp h ALA 43 Cb 0.01 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1ucp h ALA 43 CO -0.01 -0.79 0.18 -0.07 0.00 0.00 0.00 179.25 178.56 1ucp h LEU 44 N -0.45 0.23 -0.98 0.00 3.38 -1.16 0.14 115.31 116.47 1ucp h LEU 44 Ca 0.05 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1ucp h LEU 44 Cb 0.51 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1ucp h LEU 44 CO -0.20 0.17 0.65 -0.07 0.09 0.00 0.00 178.44 179.08 1ucp h LEU 45 N 0.37 1.12 -0.87 1.67 -0.00 -0.93 -2.53 115.31 114.15 1ucp h LEU 45 Ca 0.20 -0.03 -0.12 0.00 -0.00 0.00 0.00 57.88 57.94 1ucp h LEU 45 Cb 0.16 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.53 1ucp h LEU 45 CO -0.18 0.80 -0.56 0.77 -0.00 0.00 0.00 178.44 179.27 1ucp h SER 46 N 1.32 0.01 -4.09 -0.43 4.64 -0.35 -3.44 113.55 111.20 1ucp h SER 46 Ca 0.37 -0.01 -0.49 0.00 -0.47 0.00 0.00 61.79 61.19 1ucp h SER 46 Cb -0.13 -0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.11 1ucp h SER 46 CO -0.09 0.57 0.25 -0.04 -0.87 0.00 0.00 176.83 176.66 1ucp s MET 47 N -3.75 1.33 0.10 4.77 -1.94 0.39 -5.09 119.30 115.12 1ucp s MET 47 Ca -0.02 0.90 0.00 0.00 -1.71 0.00 0.00 55.69 54.86 1ucp s MET 47 Cb 0.13 -1.81 -0.00 0.00 2.01 0.00 0.00 34.83 35.16 1ucp s MET 47 CO 0.76 -2.21 0.00 -0.40 -0.01 0.00 0.00 175.02 173.15 1ucp n ASP 48 N -3.88 2.25 -0.15 3.03 5.75 -1.26 -4.93 116.55 117.37 1ucp n ASP 48 Ca 0.07 -1.46 -0.08 0.00 -0.01 0.00 0.00 54.79 53.32 1ucp n ASP 48 Cb 0.55 0.08 0.07 0.00 -1.03 0.00 0.00 41.12 40.78 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 1.06 0.88 0.14 2.12 0.00 -1.95 -0.62 119.26 120.88 1ucp h ALA 49 Ca -0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1ucp h ALA 49 Cb 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ucp h ALA 49 CO 0.14 0.64 -0.07 1.25 0.00 0.00 0.00 179.25 181.22 1ucp h LEU 50 N 0.83 -0.16 -0.71 0.00 6.46 -1.97 -0.19 115.31 119.57 1ucp h LEU 50 Ca 0.14 -0.39 0.06 0.00 -0.12 0.00 0.00 57.88 57.57 1ucp h LEU 50 Cb 0.63 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.54 1ucp h LEU 50 CO 0.04 0.38 0.41 0.44 -0.62 0.00 0.00 178.44 179.09 1ucp h ASP 51 N -0.77 0.62 0.52 1.25 5.19 -1.97 -1.00 116.42 120.26 1ucp h ASP 51 Ca -0.02 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 1ucp h ASP 51 Cb 0.54 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1ucp h ASP 51 CO 0.03 0.40 -0.28 0.25 -3.12 0.00 0.00 179.24 176.52 1ucp h LEU 52 N 0.75 -0.67 -0.26 1.55 5.85 -1.10 0.18 115.31 121.61 1ucp h LEU 52 Ca 0.32 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.11 1ucp h LEU 52 Cb 0.18 0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 1ucp h LEU 52 CO -0.18 -0.46 -0.50 0.74 -0.34 0.00 0.00 178.44 177.71 1ucp h THR 53 N -0.74 0.05 -0.27 1.05 2.02 -0.26 0.45 112.91 115.21 1ucp h THR 53 Ca -0.07 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 1ucp h THR 53 Cb 0.58 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1ucp h THR 53 CO 0.10 0.00 -0.29 0.44 0.37 0.00 0.00 175.52 176.13 1ucp h ASP 54 N -0.47 0.56 0.53 4.18 3.32 -1.23 -1.29 116.42 122.02 1ucp h ASP 54 Ca 0.08 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 1ucp h ASP 54 Cb 0.63 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.03 1ucp h ASP 54 CO -0.50 0.83 -0.26 0.50 -1.72 0.00 0.00 179.24 178.09 1ucp h LYS 55 N 0.47 -0.69 -0.73 3.56 3.64 -0.32 -1.93 116.57 120.58 1ucp h LYS 55 Ca 0.06 0.05 0.21 0.00 -1.27 0.00 0.00 60.65 59.70 1ucp h LYS 55 Cb 0.75 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 1ucp h LYS 55 CO 0.06 -0.46 0.52 1.25 -2.27 0.00 0.00 179.45 178.55 1ucp h LEU 56 N -0.84 0.00 0.08 5.20 7.12 -0.08 0.32 115.31 127.12 1ucp h LEU 56 Ca -0.07 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.93 1ucp h LEU 56 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 1ucp h LEU 56 CO 0.12 0.00 -0.04 0.58 -0.13 0.00 0.00 178.44 178.97 1ucp h VAL 57 N 0.00 0.00 -0.72 1.05 2.07 -1.26 -3.20 116.25 114.19 1ucp h VAL 57 Ca 0.34 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1ucp h VAL 57 Cb 1.39 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1ucp h VAL 57 CO -0.00 0.00 0.46 -1.28 0.02 0.00 0.00 177.57 176.77 1ucp h SER 58 N -0.80 0.77 0.76 0.57 0.87 -0.49 -0.58 113.55 114.65 1ucp h SER 58 Ca -0.01 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1ucp h SER 58 Cb 0.08 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1ucp h SER 58 CO 0.02 0.54 0.00 0.33 -0.53 0.00 0.00 176.83 177.19 1ucp n PHE 59 N -4.63 0.22 0.00 2.24 7.35 0.11 -4.53 117.46 118.22 1ucp n PHE 59 Ca 0.07 0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.84 1ucp n PHE 59 Cb 0.06 -0.63 0.00 0.00 0.35 0.00 0.00 39.48 39.27 1ucp n PHE 59 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1ucp n TYR 60 N -1.70 0.00 -3.74 -5.13 4.02 -0.90 -3.79 117.16 105.93 1ucp n TYR 60 Ca 0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.85 1ucp n TYR 60 Cb 0.25 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.55 1ucp n TYR 60 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1ucp s LEU 61 N 0.00 -0.34 0.05 7.72 2.01 -0.27 -4.99 118.68 122.86 1ucp s LEU 61 Ca 0.00 -0.44 -0.33 0.00 0.01 0.00 0.00 54.13 53.37 1ucp s LEU 61 Cb 0.00 2.66 -0.18 0.00 0.01 0.00 0.00 46.19 48.68 1ucp s LEU 61 CO 0.00 -1.22 1.45 -0.33 1.01 0.00 0.00 176.35 177.26 1ucp h GLU 62 N 2.00 -1.16 -0.15 1.70 3.07 -1.90 0.13 114.58 118.27 1ucp h GLU 62 Ca -0.23 0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 58.67 1ucp h GLU 62 Cb 1.26 0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 29.43 1ucp h GLU 62 CO 0.27 -0.77 -0.05 1.15 -1.40 0.00 0.00 179.01 178.20 1ucp h THR 63 N -1.25 1.30 0.00 1.13 2.02 -1.98 -2.47 112.91 111.65 1ucp h THR 63 Ca -0.12 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 1ucp h THR 63 Cb 0.92 1.69 -0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1ucp h THR 63 CO 0.20 0.31 -0.16 0.22 0.37 0.00 0.00 175.52 176.46 1ucp h TYR 64 N -0.02 0.00 -0.19 3.16 3.20 -1.97 -0.45 116.97 120.70 1ucp h TYR 64 Ca 0.04 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1ucp h TYR 64 Cb 0.50 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1ucp h TYR 64 CO 0.06 0.16 0.07 0.78 -1.64 0.00 0.00 178.16 177.59 1ucp h GLY 65 N 0.72 0.32 1.11 1.82 0.00 -0.35 0.24 103.07 106.94 1ucp h GLY 65 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1ucp h GLY 65 CO 0.02 0.17 0.19 0.00 0.00 0.00 0.00 176.54 176.93 1ucp h ALA 66 N 0.89 1.01 0.36 3.60 0.00 -1.03 -1.01 119.26 123.08 1ucp h ALA 66 Ca 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1ucp h ALA 66 Cb 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ucp h ALA 66 CO -0.00 0.65 -0.19 1.49 0.00 0.00 0.00 179.25 181.20 1ucp h GLU 67 N 1.06 -0.49 -0.02 0.00 4.81 -0.79 -1.65 114.58 117.50 1ucp h GLU 67 Ca 0.22 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1ucp h GLU 67 Cb 0.34 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 1ucp h GLU 67 CO -0.00 -0.33 -0.37 1.25 -0.73 0.00 0.00 179.01 178.83 1ucp h LEU 68 N -0.51 -1.12 0.09 1.64 6.46 -0.44 0.12 115.31 121.56 1ucp h LEU 68 Ca -0.05 0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1ucp h LEU 68 Cb 0.40 0.45 -0.04 0.00 -0.73 0.00 0.00 40.66 40.74 1ucp h LEU 68 CO 0.07 -0.42 -0.29 0.74 -0.62 0.00 0.00 178.44 177.93 1ucp h THR 69 N -0.51 0.37 -0.45 1.05 2.02 -1.02 0.06 112.91 114.44 1ucp h THR 69 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1ucp h THR 69 Cb 0.60 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1ucp h THR 69 CO -0.31 0.00 0.30 0.00 0.37 0.00 0.00 175.52 175.88 1ucp h ALA 70 N 0.23 1.68 0.35 6.16 0.00 -1.14 -1.17 119.26 125.37 1ucp h ALA 70 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ucp h ALA 70 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ucp h ALA 70 CO -0.19 0.30 -0.17 -0.97 0.00 0.00 0.00 179.25 178.22 1ucp h ASN 71 N 0.61 -0.40 -0.19 0.00 -0.73 0.10 0.20 115.58 115.17 1ucp h ASN 71 Ca 0.16 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1ucp h ASN 71 Cb -0.07 0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 1ucp h ASN 71 CO -0.04 -0.20 0.13 0.58 -0.37 0.00 0.00 177.43 177.53 1ucp h VAL 72 N -0.59 1.06 0.29 2.57 2.07 -0.99 -0.28 116.25 120.37 1ucp h VAL 72 Ca -0.05 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1ucp h VAL 72 Cb 0.43 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1ucp h VAL 72 CO 0.08 0.05 -0.17 -0.07 0.02 0.00 0.00 177.57 177.49 1ucp h LEU 73 N 0.26 -0.41 -1.63 2.57 3.38 -1.07 -1.17 115.31 117.24 1ucp h LEU 73 Ca 0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ucp h LEU 73 Cb -0.02 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1ucp h LEU 73 CO -0.01 -0.27 0.24 -0.09 0.09 0.00 0.00 178.44 178.39 1ucp h ARG 74 N -0.43 0.48 -0.63 1.13 2.43 -0.58 -0.77 114.38 116.02 1ucp h ARG 74 Ca -0.03 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 1ucp h ARG 74 Cb 0.35 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1ucp h ARG 74 CO 0.04 0.33 0.16 0.22 -1.51 0.00 0.00 179.97 179.20 1ucp h ASP 75 N 0.50 0.92 0.33 -3.80 3.58 -0.29 -1.08 116.42 116.58 1ucp h ASP 75 Ca 0.13 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1ucp h ASP 75 Cb -0.05 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.76 1ucp h ASP 75 CO -0.03 0.89 0.00 0.23 -2.88 0.00 0.00 179.24 177.45 1ucp n MET 76 N -4.25 0.09 0.00 0.28 2.81 -0.51 -4.82 117.12 110.71 1ucp n MET 76 Ca 0.05 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.38 1ucp n MET 76 Cb 0.24 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 1ucp n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ucp n GLY 77 N -0.65 0.55 2.68 3.03 0.00 -0.41 -5.01 105.19 105.37 1ucp n GLY 77 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1ucp n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ucp n LEU 78 N 0.00 6.59 0.15 0.99 0.00 -0.40 -4.68 117.00 119.66 1ucp n LEU 78 Ca 0.00 -3.80 0.02 0.00 0.00 0.00 0.00 56.01 52.23 1ucp n LEU 78 Cb 0.00 -1.46 0.20 0.00 0.00 0.00 0.00 43.42 42.17 1ucp n LEU 78 CO 0.00 1.02 0.55 0.06 0.00 0.00 0.00 177.39 179.02 1ucp h GLN 79 N 6.14 0.00 -0.29 1.96 -0.00 -1.82 -3.13 115.11 117.97 1ucp h GLN 79 Ca 0.61 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 59.14 1ucp h GLN 79 Cb 0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.97 1ucp h GLN 79 CO 1.82 0.52 -0.28 1.05 -0.00 0.00 0.00 178.83 181.94 1ucp h GLU 80 N 0.00 0.70 -0.17 0.06 9.09 -1.96 -0.25 114.58 122.06 1ucp h GLU 80 Ca -0.01 -0.37 -0.03 0.00 0.05 0.00 0.00 59.36 59.01 1ucp h GLU 80 Cb 1.10 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.21 1ucp h GLU 80 CO 0.07 0.98 -0.01 1.98 0.05 0.00 0.00 179.01 182.08 1ucp h MET 81 N 0.44 0.30 -0.89 1.06 4.05 -1.98 -1.27 114.93 116.64 1ucp h MET 81 Ca 0.05 -0.10 0.15 0.00 -0.28 0.00 0.00 59.70 59.52 1ucp h MET 81 Cb 0.85 -0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.55 1ucp h MET 81 CO 0.07 0.53 0.58 0.00 0.23 0.00 0.00 176.91 178.32 1ucp h ALA 82 N 0.76 1.87 0.40 0.39 0.00 -1.48 0.24 119.26 121.44 1ucp h ALA 82 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ucp h ALA 82 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ucp h ALA 82 CO 0.01 -0.12 -0.19 0.78 0.00 0.00 0.00 179.25 179.73 1ucp h GLY 83 N 0.66 -0.56 0.48 0.00 0.00 -0.79 -1.70 103.07 101.16 1ucp h GLY 83 Ca 0.45 0.21 0.07 0.00 0.00 0.00 0.00 47.33 48.06 1ucp h GLY 83 CO -0.21 -0.20 0.15 1.46 0.00 0.00 0.00 176.54 177.73 1ucp h GLN 84 N -0.87 0.29 -0.27 4.80 1.08 -0.66 -0.18 115.11 119.31 1ucp h GLN 84 Ca -0.05 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1ucp h GLN 84 Cb 0.55 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 1ucp h GLN 84 CO 0.09 0.20 0.10 1.25 -0.95 0.00 0.00 178.83 179.51 1ucp h LEU 85 N 0.30 0.11 0.11 1.46 5.85 -0.58 0.25 115.31 122.81 1ucp h LEU 85 Ca 0.24 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1ucp h LEU 85 Cb 0.28 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1ucp h LEU 85 CO -0.27 0.10 -0.05 -0.61 -0.34 0.00 0.00 178.44 177.27 1ucp h GLN 86 N 0.22 -0.14 0.00 1.25 4.15 -1.00 -0.73 115.11 118.86 1ucp h GLN 86 Ca 0.12 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1ucp h GLN 86 Cb 0.08 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1ucp h GLN 86 CO -0.12 -0.06 0.00 0.00 -1.93 0.00 0.00 178.83 176.73 1ucp n ALA 87 N -2.18 1.43 -0.06 3.38 0.00 -0.10 -0.28 120.51 122.69 1ucp n ALA 87 Ca -0.08 0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 1ucp n ALA 87 Cb 0.10 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.20 1ucp n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ucp n ALA 88 N -1.59 1.11 -0.09 0.00 0.00 0.79 -3.93 120.51 116.80 1ucp n ALA 88 Ca 0.02 -0.82 -0.12 0.00 0.00 0.00 0.00 53.44 52.52 1ucp n ALA 88 Cb 0.13 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.13 1ucp n ALA 88 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1ucp h THR 89 N -0.08 1.30 -1.72 0.00 2.02 -0.66 -3.22 112.91 110.54 1ucp h THR 89 Ca -0.50 -1.17 -0.77 0.00 0.77 0.00 0.00 66.41 64.75 1ucp h THR 89 Cb 1.92 1.52 -0.18 0.00 -1.74 0.00 0.00 68.15 69.67 1ucp h THR 89 CO -0.03 0.36 1.76 1.57 0.37 0.00 0.00 175.52 179.56 1ucp n HIS 90 N -4.49 2.71 -0.70 3.16 -0.00 0.61 -4.66 115.22 111.85 1ucp n HIS 90 Ca -0.04 -2.73 0.00 0.00 -0.00 0.00 0.00 57.72 54.95 1ucp n HIS 90 Cb 0.34 -1.75 0.00 0.00 -0.00 0.00 0.00 29.99 28.58 1ucp n HIS 90 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28