#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 0.84 0.22 3.03 0.00 -1.26 -4.49 105.19 103.53 1ucp n GLY 2 Ca 0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 46.02 44.45 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 0.21 0.24 1.61 2.47 -1.90 0.20 114.38 117.21 1ucp h ARG 3 Ca 0.00 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1ucp h ARG 3 Cb 0.00 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.23 1ucp h ARG 3 CO 0.00 0.14 -0.47 0.00 0.56 0.00 0.00 179.97 180.19 1ucp h ALA 4 N 1.46 -0.93 -0.63 0.04 0.00 -1.86 -1.00 119.26 116.33 1ucp h ALA 4 Ca 0.29 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1ucp h ALA 4 Cb 0.43 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1ucp h ALA 4 CO -0.40 -1.08 0.06 0.00 0.00 0.00 0.00 179.25 177.83 1ucp h ARG 5 N -0.79 1.07 -0.33 0.00 3.08 -1.60 -1.41 114.38 114.40 1ucp h ARG 5 Ca -0.01 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.74 1ucp h ARG 5 Cb 0.76 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1ucp h ARG 5 CO -0.20 1.01 0.19 -0.44 -1.07 0.00 0.00 179.97 179.47 1ucp h ASP 6 N 0.98 0.32 -0.22 7.04 5.19 -0.44 0.36 116.42 129.64 1ucp h ASP 6 Ca 0.19 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.45 1ucp h ASP 6 Cb 0.49 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1ucp h ASP 6 CO 0.02 0.23 -0.44 0.00 -3.12 0.00 0.00 179.24 175.93 1ucp h ALA 7 N 1.15 0.35 0.04 3.45 0.00 -1.01 0.13 119.26 123.37 1ucp h ALA 7 Ca 0.13 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ucp h ALA 7 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ucp h ALA 7 CO -0.06 0.48 -0.02 0.82 0.00 0.00 0.00 179.25 180.47 1ucp h ILE 8 N 0.40 0.96 -0.51 0.00 2.04 -1.11 -0.39 117.51 118.91 1ucp h ILE 8 Ca 0.01 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1ucp h ILE 8 Cb 1.04 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1ucp h ILE 8 CO 0.10 0.00 0.17 0.25 0.00 0.00 0.00 178.15 178.68 1ucp h LEU 9 N -0.06 0.73 -0.78 1.44 6.46 -0.86 0.53 115.31 122.76 1ucp h LEU 9 Ca -0.01 -0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.58 1ucp h LEU 9 Cb 0.05 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 1ucp h LEU 9 CO 0.01 0.73 0.51 0.44 -0.62 0.00 0.00 178.44 179.50 1ucp h ASP 10 N 0.69 0.86 0.26 1.25 3.32 -0.87 0.19 116.42 122.11 1ucp h ASP 10 Ca 0.17 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1ucp h ASP 10 Cb 0.25 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1ucp h ASP 10 CO -0.01 0.61 -0.12 0.00 -1.72 0.00 0.00 179.24 178.00 1ucp h ALA 11 N 1.31 -0.35 -0.16 3.45 0.00 -0.26 -0.21 119.26 123.04 1ucp h ALA 11 Ca 0.30 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1ucp h ALA 11 Cb -0.06 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ucp h ALA 11 CO -0.09 -0.61 -0.24 -0.07 0.00 0.00 0.00 179.25 178.25 1ucp h LEU 12 N -0.52 0.28 -0.35 0.00 -0.00 -0.73 -1.77 115.31 112.22 1ucp h LEU 12 Ca -0.04 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.88 57.68 1ucp h LEU 12 Cb 0.39 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 1ucp h LEU 12 CO 0.06 0.53 -0.09 -0.33 -0.00 0.00 0.00 178.44 178.61 1ucp h GLU 13 N 0.26 0.67 0.00 1.13 4.39 -0.93 -2.87 114.58 117.23 1ucp h GLU 13 Ca 0.04 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1ucp h GLU 13 Cb 0.57 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1ucp h GLU 13 CO 0.04 0.84 0.00 -0.91 -1.16 0.00 0.00 179.01 177.82 1ucp h ASN 14 N 0.46 0.00 -3.88 1.42 -0.26 -0.45 -3.42 115.58 109.45 1ucp h ASN 14 Ca 0.09 0.00 -0.47 0.00 -0.56 0.00 0.00 56.30 55.35 1ucp h ASN 14 Cb 0.60 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.84 1ucp h ASN 14 CO 0.04 0.00 0.21 -0.76 -1.06 0.00 0.00 177.43 175.85 1ucp s LEU 15 N -4.93 3.94 0.55 1.61 1.43 -0.72 -5.07 118.68 115.48 1ucp s LEU 15 Ca 0.00 1.41 0.09 0.00 -1.03 0.00 0.00 54.13 54.61 1ucp s LEU 15 Cb 0.09 -4.26 0.07 0.00 0.03 0.00 0.00 46.19 42.12 1ucp s LEU 15 CO 0.35 -0.33 0.73 0.42 0.23 0.00 0.00 176.35 177.75 1ucp s THR 16 N -2.18 2.26 0.26 5.49 -4.23 -1.26 -4.84 115.64 111.13 1ucp s THR 16 Ca 0.57 -1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.02 1ucp s THR 16 Cb -0.10 -2.29 0.24 0.00 1.34 0.00 0.00 72.50 71.68 1ucp s THR 16 CO 0.20 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 176.07 1ucp h ALA 17 N 0.30 1.27 0.18 3.99 0.00 -1.98 0.17 119.26 123.20 1ucp h ALA 17 Ca -0.32 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1ucp h ALA 17 Cb 1.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ucp h ALA 17 CO 0.43 0.02 -0.09 1.49 0.00 0.00 0.00 179.25 181.10 1ucp h GLU 18 N 0.73 -0.23 -0.02 0.00 4.57 -1.99 0.15 114.58 117.79 1ucp h GLU 18 Ca 0.44 0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.55 1ucp h GLU 18 Cb 0.53 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1ucp h GLU 18 CO -0.31 -0.01 -0.43 0.93 -1.18 0.00 0.00 179.01 178.01 1ucp h GLU 19 N -0.43 0.04 -0.20 1.92 4.39 -1.76 -1.76 114.58 116.78 1ucp h GLU 19 Ca -0.02 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.51 1ucp h GLU 19 Cb 0.33 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1ucp h GLU 19 CO 0.04 0.47 -0.47 -0.07 -1.16 0.00 0.00 179.01 177.82 1ucp h LEU 20 N 0.03 0.55 0.06 1.33 3.38 -0.60 0.97 115.31 121.03 1ucp h LEU 20 Ca -0.00 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1ucp h LEU 20 Cb 0.78 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1ucp h LEU 20 CO 0.06 0.94 -0.28 0.50 0.09 0.00 0.00 178.44 179.75 1ucp h LYS 21 N 0.41 -0.44 0.60 1.13 3.64 -0.14 -0.23 116.57 121.53 1ucp h LYS 21 Ca 0.02 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1ucp h LYS 21 Cb 0.98 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1ucp h LYS 21 CO 0.09 -0.29 -0.47 0.87 -2.27 0.00 0.00 179.45 177.38 1ucp h LYS 22 N -0.46 -0.99 -0.36 1.90 1.79 -1.21 -1.54 116.57 115.70 1ucp h LYS 22 Ca 0.05 0.07 0.08 0.00 -2.18 0.00 0.00 60.65 58.66 1ucp h LYS 22 Cb 0.52 0.22 -0.08 0.00 -1.58 0.00 0.00 32.23 31.31 1ucp h LYS 22 CO -0.20 -0.66 -0.25 0.35 -1.08 0.00 0.00 179.45 177.60 1ucp h PHE 23 N -1.03 -0.67 -0.41 -1.35 3.57 -0.61 0.32 116.94 116.77 1ucp h PHE 23 Ca -0.08 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 1ucp h PHE 23 Cb 0.85 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1ucp h PHE 23 CO -0.17 -0.33 0.08 0.87 -2.23 0.00 0.00 178.31 176.54 1ucp h LYS 24 N -0.20 0.61 -0.03 1.11 1.57 -0.99 -1.71 116.57 116.93 1ucp h LYS 24 Ca 0.18 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1ucp h LYS 24 Cb 0.48 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1ucp h LYS 24 CO -0.48 0.57 -0.27 -0.07 -0.57 0.00 0.00 179.45 178.64 1ucp h LEU 25 N 0.59 0.29 -0.62 2.94 3.38 -0.19 -3.35 115.31 118.36 1ucp h LEU 25 Ca 0.14 -0.70 0.12 0.00 0.09 0.00 0.00 57.88 57.52 1ucp h LEU 25 Cb 0.25 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 1ucp h LEU 25 CO -0.00 0.95 0.10 0.11 0.09 0.00 0.00 178.44 179.68 1ucp h LYS 26 N -0.35 0.21 -1.08 1.13 1.79 0.00 0.86 116.57 119.14 1ucp h LYS 26 Ca -0.03 -0.01 0.31 0.00 -2.18 0.00 0.00 60.65 58.74 1ucp h LYS 26 Cb 0.96 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.52 1ucp h LYS 26 CO 0.05 0.14 0.78 -0.07 -1.08 0.00 0.00 179.45 179.28 1ucp h LEU 27 N 0.22 0.00 -4.17 2.94 3.38 -1.45 -1.19 115.31 115.04 1ucp h LEU 27 Ca 0.33 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.96 1ucp h LEU 27 Cb 0.52 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.90 1ucp h LEU 27 CO -0.45 0.00 -0.91 -0.11 0.09 0.00 0.00 178.44 177.06 1ucp n LEU 28 N -4.18 3.14 0.06 1.67 0.00 0.19 -4.64 117.00 113.24 1ucp n LEU 28 Ca 0.23 -3.80 0.00 0.00 0.00 0.00 0.00 56.01 52.44 1ucp n LEU 28 Cb 1.15 -0.05 0.00 0.00 0.00 0.00 0.00 43.42 44.52 1ucp n LEU 28 CO 0.40 1.50 0.00 -0.24 0.00 0.00 0.00 177.39 179.05 1ucp n SER 29 N -0.61 0.30 -4.70 1.96 2.88 -0.56 -4.95 113.62 107.94 1ucp n SER 29 Ca 0.25 0.21 -0.42 0.00 -1.33 0.00 0.00 58.87 57.57 1ucp n SER 29 Cb 0.89 0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 64.36 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 -1.64 4.48 0.19 2.46 0.11 -0.57 -4.97 120.40 120.46 1ucp s VAL 30 Ca 0.00 1.78 -0.30 0.00 -2.93 0.00 0.00 61.98 60.53 1ucp s VAL 30 Cb 0.00 -4.14 -0.09 0.00 -1.53 0.00 0.00 36.38 30.62 1ucp s VAL 30 CO 0.00 0.08 1.32 -2.16 -3.33 0.00 0.00 175.10 171.01 1ucp s PRO 31 N 1.51 4.38 0.67 1.54 0.04 -1.26 -4.74 135.00 137.13 1ucp s PRO 31 Ca 0.54 2.06 -0.08 0.00 0.04 0.00 0.00 61.00 63.56 1ucp s PRO 31 Cb -0.24 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.13 1ucp s PRO 31 CO 0.25 -0.28 1.01 -1.17 0.04 0.00 0.00 177.00 176.85 1ucp s LEU 32 N 0.00 2.98 1.07 -3.56 0.20 -1.26 -5.07 118.68 113.04 1ucp s LEU 32 Ca 0.57 0.80 -0.16 0.00 0.69 0.00 0.00 54.13 56.03 1ucp s LEU 32 Cb -0.37 -3.54 0.23 0.00 -0.43 0.00 0.00 46.19 42.08 1ucp s LEU 32 CO 0.38 -1.34 1.16 -0.13 -0.29 0.00 0.00 176.35 176.13 1ucp s ARG 33 N -5.21 -0.13 0.66 1.98 0.52 -1.26 -5.07 118.95 110.44 1ucp s ARG 33 Ca 0.57 -0.02 -0.08 0.00 -0.52 0.00 0.00 55.73 55.68 1ucp s ARG 33 Cb -0.11 -1.72 0.03 0.00 0.52 0.00 0.00 34.95 33.67 1ucp s ARG 33 CO 0.47 -3.00 1.00 -2.00 0.02 0.00 0.00 175.30 171.80 1ucp s GLU 34 N -5.45 2.68 0.00 3.54 2.12 -1.26 -4.17 118.70 116.15 1ucp s GLU 34 Ca 0.70 0.08 0.00 0.00 0.36 0.00 0.00 54.97 56.11 1ucp s GLU 34 Cb -0.10 -2.16 0.00 0.00 0.26 0.00 0.00 34.13 32.13 1ucp s GLU 34 CO 0.55 -0.97 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 1ucp n GLY 35 N -2.83 0.46 3.11 -1.50 0.00 -1.26 -4.95 105.19 98.22 1ucp n GLY 35 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.21 0.47 0.63 1.61 2.02 -1.26 -5.16 117.35 113.44 1ucp s TYR 36 Ca 0.00 -1.00 0.07 0.00 -0.37 0.00 0.00 57.07 55.77 1ucp s TYR 36 Cb 0.00 -0.34 0.10 0.00 -0.40 0.00 0.00 41.96 41.32 1ucp s TYR 36 CO 0.00 -0.40 0.86 0.20 -1.57 0.00 0.00 175.55 174.64 1ucp s GLY 37 N -2.91 1.73 -0.18 0.71 0.00 -1.26 -4.88 107.32 100.53 1ucp s GLY 37 Ca 0.07 -2.06 -0.01 0.00 0.00 0.00 0.00 44.72 42.71 1ucp s GLY 37 CO -0.10 -1.55 -0.02 0.50 0.00 0.00 0.00 173.10 171.92 1ucp s ARG 38 N -4.82 1.19 -0.26 2.90 0.52 -1.26 -4.94 118.95 112.28 1ucp s ARG 38 Ca 0.64 -0.53 -0.26 0.00 -0.52 0.00 0.00 55.73 55.05 1ucp s ARG 38 Cb -0.05 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.35 1ucp s ARG 38 CO 0.41 -0.51 0.89 0.42 0.02 0.00 0.00 175.30 176.53 1ucp s ILE 39 N 1.68 4.76 0.68 1.52 1.01 -1.26 -5.02 121.20 124.56 1ucp s ILE 39 Ca -0.01 1.62 -0.14 0.00 0.00 0.00 0.00 60.65 62.13 1ucp s ILE 39 Cb -0.16 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.12 1ucp s ILE 39 CO -0.07 -0.17 1.10 -2.16 0.00 0.00 0.00 174.94 173.64 1ucp s PRO 40 N 3.03 2.71 0.20 2.79 0.04 -1.26 -4.71 135.00 137.79 1ucp s PRO 40 Ca 0.38 1.32 -0.10 0.00 0.04 0.00 0.00 61.00 62.63 1ucp s PRO 40 Cb -0.15 -1.94 0.25 0.00 0.04 0.00 0.00 34.50 32.70 1ucp s PRO 40 CO 0.09 -1.31 1.74 -0.09 0.04 0.00 0.00 177.00 177.46 1ucp h ARG 41 N -0.23 0.35 -0.98 4.56 2.43 -1.93 -0.87 114.38 117.71 1ucp h ARG 41 Ca -0.46 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 58.76 1ucp h ARG 41 Cb 1.24 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.65 1ucp h ARG 41 CO 0.54 0.23 0.63 0.78 -1.51 0.00 0.00 179.97 180.64 1ucp h GLY 42 N 0.36 1.49 0.87 2.80 0.00 -1.92 -0.05 103.07 106.61 1ucp h GLY 42 Ca 0.29 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 1ucp h GLY 42 CO -0.31 0.31 -0.12 0.00 0.00 0.00 0.00 176.54 176.42 1ucp h ALA 43 N 1.48 0.36 -0.71 3.60 0.00 -1.62 -1.33 119.26 121.04 1ucp h ALA 43 Ca 0.43 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1ucp h ALA 43 Cb 0.21 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1ucp h ALA 43 CO -0.17 0.22 0.47 -0.07 0.00 0.00 0.00 179.25 179.69 1ucp h LEU 44 N 0.26 0.55 -0.15 0.00 3.38 -0.33 -0.73 115.31 118.29 1ucp h LEU 44 Ca 0.06 0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.81 1ucp h LEU 44 Cb 0.62 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ucp h LEU 44 CO 0.04 0.33 -0.98 -0.07 0.09 0.00 0.00 178.44 177.85 1ucp h LEU 45 N 0.61 0.44 -1.63 1.67 4.07 -0.90 -3.15 115.31 116.43 1ucp h LEU 45 Ca 0.32 -0.38 0.08 0.00 0.08 0.00 0.00 57.88 57.98 1ucp h LEU 45 Cb 0.45 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 1ucp h LEU 45 CO -0.11 1.19 0.37 0.77 -1.08 0.00 0.00 178.44 179.59 1ucp h SER 46 N 0.17 0.39 -3.53 -0.43 4.64 0.01 -3.42 113.55 111.39 1ucp h SER 46 Ca -0.08 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.76 1ucp h SER 46 Cb 1.63 -0.08 0.04 0.00 -0.31 0.00 0.00 62.40 63.68 1ucp h SER 46 CO 0.16 0.25 0.11 -0.04 -0.87 0.00 0.00 176.83 176.44 1ucp s MET 47 N -5.41 3.31 0.30 4.77 -1.94 -0.61 -5.10 119.30 114.62 1ucp s MET 47 Ca -0.08 0.08 0.02 0.00 -1.71 0.00 0.00 55.69 54.01 1ucp s MET 47 Cb 0.19 -2.36 0.02 0.00 2.01 0.00 0.00 34.83 34.70 1ucp s MET 47 CO 0.74 -0.36 0.20 -0.40 -0.01 0.00 0.00 175.02 175.20 1ucp n ASP 48 N -2.34 2.07 -0.12 3.03 5.68 -1.26 -4.90 116.55 118.70 1ucp n ASP 48 Ca 0.02 -2.08 -0.06 0.00 -0.50 0.00 0.00 54.79 52.17 1ucp n ASP 48 Cb 0.56 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.66 1ucp n ASP 48 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ucp h ALA 49 N 0.76 0.98 0.38 2.12 0.00 -1.93 0.42 119.26 121.98 1ucp h ALA 49 Ca -0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1ucp h ALA 49 Cb 0.71 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ucp h ALA 49 CO 0.31 0.61 -0.18 1.25 0.00 0.00 0.00 179.25 181.24 1ucp h LEU 50 N 0.76 -0.43 -0.84 0.00 6.46 -1.97 -0.27 115.31 119.02 1ucp h LEU 50 Ca 0.13 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1ucp h LEU 50 Cb 0.56 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.56 1ucp h LEU 50 CO 0.03 -0.03 0.54 0.44 -0.62 0.00 0.00 178.44 178.81 1ucp h ASP 51 N -0.91 0.98 0.07 1.25 3.32 -1.96 -2.01 116.42 117.16 1ucp h ASP 51 Ca -0.05 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.98 1ucp h ASP 51 Cb 0.54 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1ucp h ASP 51 CO 0.08 0.72 -0.16 0.25 -1.72 0.00 0.00 179.24 178.42 1ucp h LEU 52 N 1.14 -0.44 -0.07 1.55 6.46 -0.91 0.38 115.31 123.42 1ucp h LEU 52 Ca 0.31 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 58.16 1ucp h LEU 52 Cb -0.11 0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 39.94 1ucp h LEU 52 CO -0.06 -0.23 -0.38 0.74 -0.62 0.00 0.00 178.44 177.89 1ucp h THR 53 N -0.30 0.21 -0.64 1.05 2.02 -0.48 0.34 112.91 115.12 1ucp h THR 53 Ca 0.03 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 1ucp h THR 53 Cb 0.33 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1ucp h THR 53 CO -0.10 0.00 0.04 0.44 0.37 0.00 0.00 175.52 176.27 1ucp h ASP 54 N -0.49 1.06 0.79 4.18 3.32 -1.32 -1.12 116.42 122.85 1ucp h ASP 54 Ca 0.07 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 1ucp h ASP 54 Cb 0.60 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1ucp h ASP 54 CO -0.34 1.09 -0.47 0.50 -1.72 0.00 0.00 179.24 178.30 1ucp h LYS 55 N 1.01 -1.13 -0.54 3.56 3.64 -0.39 -1.95 116.57 120.76 1ucp h LYS 55 Ca 0.19 0.08 0.09 0.00 -1.27 0.00 0.00 60.65 59.74 1ucp h LYS 55 Cb 0.52 0.26 -0.07 0.00 -0.41 0.00 0.00 32.23 32.52 1ucp h LYS 55 CO 0.02 -0.76 0.12 1.25 -2.27 0.00 0.00 179.45 177.82 1ucp h LEU 56 N -1.18 0.03 0.45 5.20 7.12 -0.29 0.36 115.31 127.00 1ucp h LEU 56 Ca -0.11 0.09 -0.02 0.00 0.13 0.00 0.00 57.88 57.98 1ucp h LEU 56 Cb 0.94 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 1ucp h LEU 56 CO 0.12 0.04 -0.22 0.58 -0.13 0.00 0.00 178.44 178.83 1ucp h VAL 57 N 0.26 0.55 0.00 1.05 2.07 -1.21 -2.52 116.25 116.45 1ucp h VAL 57 Ca 0.28 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1ucp h VAL 57 Cb 0.38 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1ucp h VAL 57 CO -0.35 0.04 -0.14 -1.28 0.02 0.00 0.00 177.57 175.86 1ucp h SER 58 N -0.74 0.00 1.10 0.57 0.87 -0.63 -1.51 113.55 113.21 1ucp h SER 58 Ca -0.06 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.38 1ucp h SER 58 Cb 0.53 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 1ucp h SER 58 CO 0.10 0.14 -0.55 0.15 -0.53 0.00 0.00 176.83 176.14 1ucp h PHE 59 N 0.00 0.00 0.00 2.24 3.57 -0.27 -3.45 116.94 119.03 1ucp h PHE 59 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1ucp h PHE 59 Cb 0.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1ucp h PHE 59 CO 0.00 0.55 0.00 0.66 -2.23 0.00 0.00 178.31 177.29 1ucp n TYR 60 N -3.41 0.00 -3.78 0.41 4.01 -0.77 -4.72 117.16 108.91 1ucp n TYR 60 Ca 0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 1ucp n TYR 60 Cb 0.68 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.69 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 -0.30 0.05 7.72 2.01 -0.64 -5.01 118.68 122.51 1ucp s LEU 61 Ca 0.00 -0.50 -0.29 0.00 0.01 0.00 0.00 54.13 53.35 1ucp s LEU 61 Cb 0.00 2.68 -0.18 0.00 0.01 0.00 0.00 46.19 48.71 1ucp s LEU 61 CO 0.00 -1.27 1.48 -0.33 1.01 0.00 0.00 176.35 177.24 1ucp h GLU 62 N 2.01 -0.67 -0.05 1.70 3.07 -1.92 1.00 114.58 119.72 1ucp h GLU 62 Ca -0.22 0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 1ucp h GLU 62 Cb 1.26 0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 29.32 1ucp h GLU 62 CO 0.26 -0.39 -0.01 1.15 -1.40 0.00 0.00 179.01 178.61 1ucp h THR 63 N -0.81 1.31 0.00 1.13 2.02 -1.96 -1.88 112.91 112.71 1ucp h THR 63 Ca -0.07 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 1ucp h THR 63 Cb 0.58 1.85 -0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1ucp h THR 63 CO 0.12 0.26 -0.01 0.22 0.37 0.00 0.00 175.52 176.47 1ucp h TYR 64 N -0.27 0.00 0.24 3.16 5.03 -1.96 -1.75 116.97 121.41 1ucp h TYR 64 Ca 0.01 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1ucp h TYR 64 Cb 0.42 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.70 1ucp h TYR 64 CO 0.06 0.01 -0.11 0.78 -1.32 0.00 0.00 178.16 177.58 1ucp h GLY 65 N 0.05 -0.33 1.17 1.82 0.00 -0.01 0.29 103.07 106.06 1ucp h GLY 65 Ca -0.00 0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.34 1ucp h GLY 65 CO 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 176.54 176.28 1ucp h ALA 66 N 0.34 0.79 -0.14 3.60 0.00 -1.05 -1.24 119.26 121.56 1ucp h ALA 66 Ca -0.03 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1ucp h ALA 66 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ucp h ALA 66 CO 0.05 0.66 0.08 1.49 0.00 0.00 0.00 179.25 181.53 1ucp h GLU 67 N 0.85 0.16 0.07 0.00 4.57 -1.21 0.53 114.58 119.55 1ucp h GLU 67 Ca 0.13 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1ucp h GLU 67 Cb 0.70 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.20 1ucp h GLU 67 CO 0.05 0.11 -0.39 1.25 -1.18 0.00 0.00 179.01 178.85 1ucp h LEU 68 N 0.17 -1.14 0.08 1.64 6.46 -0.31 -0.06 115.31 122.14 1ucp h LEU 68 Ca 0.05 0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1ucp h LEU 68 Cb -0.00 0.44 -0.04 0.00 -0.73 0.00 0.00 40.66 40.33 1ucp h LEU 68 CO -0.03 -0.45 -0.25 0.74 -0.62 0.00 0.00 178.44 177.83 1ucp h THR 69 N -0.59 0.43 0.00 1.05 2.02 -0.87 -0.23 112.91 114.72 1ucp h THR 69 Ca 0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1ucp h THR 69 Cb 0.64 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1ucp h THR 69 CO -0.25 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.61 1ucp h ALA 70 N 0.33 1.86 -0.01 6.16 0.00 -0.73 -0.82 119.26 126.05 1ucp h ALA 70 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ucp h ALA 70 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ucp h ALA 70 CO -0.17 0.03 -0.04 -0.97 0.00 0.00 0.00 179.25 178.10 1ucp h ASN 71 N 0.00 0.05 -0.39 0.00 -1.24 0.60 -0.62 115.58 113.98 1ucp h ASN 71 Ca -0.00 -0.64 0.05 0.00 0.71 0.00 0.00 56.30 56.42 1ucp h ASN 71 Cb 0.04 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.04 1ucp h ASN 71 CO 0.00 0.68 0.14 0.58 -1.29 0.00 0.00 177.43 177.54 1ucp h VAL 72 N -0.57 0.89 -0.12 2.57 2.07 -0.81 0.15 116.25 120.43 1ucp h VAL 72 Ca -0.00 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1ucp h VAL 72 Cb 0.67 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1ucp h VAL 72 CO 0.01 0.05 -0.08 -0.07 0.02 0.00 0.00 177.57 177.50 1ucp h LEU 73 N 0.30 -0.27 -1.58 2.57 3.38 -1.18 -0.93 115.31 117.60 1ucp h LEU 73 Ca 0.18 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1ucp h LEU 73 Cb 0.15 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1ucp h LEU 73 CO -0.18 -0.12 0.24 -0.09 0.09 0.00 0.00 178.44 178.38 1ucp h ARG 74 N -0.09 0.52 -0.05 1.13 2.43 -0.66 0.16 114.38 117.82 1ucp h ARG 74 Ca 0.07 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1ucp h ARG 74 Cb 0.20 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1ucp h ARG 74 CO -0.17 0.36 -0.27 0.22 -1.51 0.00 0.00 179.97 178.60 1ucp h ASP 75 N 0.53 0.08 1.06 -3.80 1.82 0.38 -0.82 116.42 115.67 1ucp h ASP 75 Ca 0.14 -0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.69 1ucp h ASP 75 Cb -0.03 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 1ucp h ASP 75 CO -0.03 0.36 -0.33 0.24 -1.61 0.00 0.00 179.24 177.87 1ucp h MET 76 N 0.07 0.00 0.00 0.28 2.86 -0.07 -3.47 114.93 114.60 1ucp h MET 76 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1ucp h MET 76 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1ucp h MET 76 CO 0.04 0.33 0.00 0.41 1.06 0.00 0.00 176.91 178.75 1ucp n GLY 77 N 0.45 0.79 3.36 8.32 0.00 -0.31 -5.04 105.19 112.76 1ucp n GLY 77 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 5.44 0.05 0.99 0.00 -0.07 -4.81 117.00 118.60 1ucp n LEU 78 Ca 0.00 -4.08 -0.05 0.00 0.00 0.00 0.00 56.01 51.88 1ucp n LEU 78 Cb 0.00 -1.70 0.14 0.00 0.00 0.00 0.00 43.42 41.86 1ucp n LEU 78 CO 0.00 0.48 0.57 0.06 0.00 0.00 0.00 177.39 178.50 1ucp h GLN 79 N 7.11 0.37 0.78 1.96 -0.00 -1.90 -3.19 115.11 120.24 1ucp h GLN 79 Ca 0.45 -0.21 -0.04 0.00 -0.00 0.00 0.00 58.65 58.86 1ucp h GLN 79 Cb 0.81 0.01 0.01 0.00 -0.00 0.00 0.00 27.48 28.31 1ucp h GLN 79 CO 1.52 0.77 -0.37 1.05 -0.00 0.00 0.00 178.83 181.80 1ucp h GLU 80 N 0.30 -1.01 -0.43 0.06 4.11 -1.97 -0.72 114.58 114.92 1ucp h GLU 80 Ca 0.02 0.07 0.08 0.00 0.07 0.00 0.00 59.36 59.60 1ucp h GLU 80 Cb 0.95 0.23 -0.09 0.00 0.50 0.00 0.00 28.75 30.33 1ucp h GLU 80 CO 0.08 -0.67 -0.30 1.98 0.07 0.00 0.00 179.01 180.17 1ucp h MET 81 N -1.23 -0.21 -0.59 1.06 4.05 -2.00 -0.67 114.93 115.34 1ucp h MET 81 Ca -0.11 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.42 1ucp h MET 81 Cb 0.80 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.58 1ucp h MET 81 CO 0.18 -0.14 0.20 0.00 0.23 0.00 0.00 176.91 177.38 1ucp h ALA 82 N 0.87 0.74 0.04 0.39 0.00 -1.53 0.14 119.26 119.91 1ucp h ALA 82 Ca 0.19 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ucp h ALA 82 Cb 0.52 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ucp h ALA 82 CO -0.55 -0.21 -0.02 0.78 0.00 0.00 0.00 179.25 179.25 1ucp h GLY 83 N 0.37 -0.05 0.87 0.00 0.00 -0.25 -1.73 103.07 102.29 1ucp h GLY 83 Ca 0.30 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 1ucp h GLY 83 CO -0.31 -0.02 0.05 1.46 0.00 0.00 0.00 176.54 177.72 1ucp h GLN 84 N -0.31 0.19 -0.24 4.80 1.08 -0.76 -1.76 115.11 118.10 1ucp h GLN 84 Ca -0.00 -0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.22 1ucp h GLN 84 Cb 0.28 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.62 1ucp h GLN 84 CO 0.01 0.29 -0.19 1.25 -0.95 0.00 0.00 178.83 179.23 1ucp h LEU 85 N 0.04 -0.61 -0.25 1.46 5.85 -0.78 0.24 115.31 121.25 1ucp h LEU 85 Ca 0.04 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1ucp h LEU 85 Cb 0.17 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1ucp h LEU 85 CO -0.00 -0.23 0.13 -0.61 -0.34 0.00 0.00 178.44 177.39 1ucp h GLN 86 N -0.19 0.35 -0.34 1.25 -0.00 -1.26 -1.69 115.11 113.24 1ucp h GLN 86 Ca 0.14 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.65 58.66 1ucp h GLN 86 Cb 0.39 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.79 1ucp h GLN 86 CO -0.35 0.32 -0.14 0.00 0.00 0.00 0.00 178.83 178.66 1ucp h ALA 87 N 1.01 1.13 -0.31 3.38 0.00 -0.80 -1.97 119.26 121.70 1ucp h ALA 87 Ca 0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1ucp h ALA 87 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ucp h ALA 87 CO -0.01 0.54 0.11 0.00 0.00 0.00 0.00 179.25 179.89 1ucp h ALA 88 N 1.31 0.40 0.00 0.00 0.00 -0.38 -2.63 119.26 117.97 1ucp h ALA 88 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ucp h ALA 88 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ucp h ALA 88 CO 0.04 0.03 0.00 2.41 0.00 0.00 0.00 179.25 181.72 1ucp n THR 89 N -4.70 0.81 -1.05 0.00 -1.04 -0.65 -3.43 114.28 104.21 1ucp n THR 89 Ca -0.02 0.20 -0.15 0.00 -2.04 0.00 0.00 64.05 62.04 1ucp n THR 89 Cb 0.15 -1.13 -0.15 0.00 -1.82 0.00 0.00 70.33 67.38 1ucp n THR 89 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1ucp n HIS 90 N -2.26 0.28 -1.81 -1.42 -0.00 -0.76 -4.68 115.22 104.57 1ucp n HIS 90 Ca 0.02 -1.66 0.00 0.00 -0.00 0.00 0.00 57.72 56.09 1ucp n HIS 90 Cb 0.24 -1.66 0.00 0.00 -0.00 0.00 0.00 29.99 28.57 1ucp n HIS 90 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28