#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 3.36 0.52 -5.12 0.00 -1.26 -3.01 105.19 99.67 1ucp n GLY 2 Ca 0.00 -0.21 0.33 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.02 1.61 -0.00 -1.89 -0.64 114.38 113.48 1ucp h ARG 3 Ca 0.00 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.51 1ucp h ARG 3 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 29.92 1ucp h ARG 3 CO 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 179.97 179.66 1ucp h ALA 4 N 1.36 -0.45 -0.07 0.04 0.00 -1.81 0.88 119.26 119.20 1ucp h ALA 4 Ca 0.52 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 55.20 1ucp h ALA 4 Cb 2.18 0.54 0.00 0.00 0.00 0.00 0.00 17.79 20.51 1ucp h ALA 4 CO -0.01 -0.82 -0.82 0.00 0.00 0.00 0.00 179.25 177.60 1ucp h ARG 5 N -0.47 0.53 0.06 0.00 3.08 -1.33 -1.85 114.38 114.41 1ucp h ARG 5 Ca 0.06 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1ucp h ARG 5 Cb 0.54 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1ucp h ARG 5 CO -0.25 1.11 -0.05 -0.44 -1.07 0.00 0.00 179.97 179.27 1ucp h ASP 6 N 0.34 -0.13 -0.21 7.04 3.32 -1.31 -1.42 116.42 124.05 1ucp h ASP 6 Ca -0.06 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.83 1ucp h ASP 6 Cb 1.44 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 41.03 1ucp h ASP 6 CO 0.15 -0.08 -0.51 0.00 -1.72 0.00 0.00 179.24 177.07 1ucp h ALA 7 N 0.81 0.56 0.04 3.45 0.00 -0.84 0.73 119.26 124.02 1ucp h ALA 7 Ca 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ucp h ALA 7 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ucp h ALA 7 CO -0.01 0.68 -0.02 0.82 0.00 0.00 0.00 179.25 180.72 1ucp h ILE 8 N 0.62 1.08 -0.18 0.00 2.04 -1.29 0.45 117.51 120.23 1ucp h ILE 8 Ca 0.02 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.53 1ucp h ILE 8 Cb 1.10 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 38.48 1ucp h ILE 8 CO 0.11 0.10 -0.17 0.25 0.00 0.00 0.00 178.15 178.44 1ucp h LEU 9 N -0.23 -0.55 -1.01 1.44 7.12 -1.14 0.03 115.31 120.97 1ucp h LEU 9 Ca -0.01 0.11 0.07 0.00 0.13 0.00 0.00 57.88 58.18 1ucp h LEU 9 Cb 0.21 0.27 -0.07 0.00 -0.53 0.00 0.00 40.66 40.54 1ucp h LEU 9 CO 0.01 -0.22 0.65 0.44 -0.13 0.00 0.00 178.44 179.19 1ucp h ASP 10 N -0.19 1.03 0.38 1.25 3.32 -0.83 -1.67 116.42 119.71 1ucp h ASP 10 Ca 0.11 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1ucp h ASP 10 Cb 0.36 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1ucp h ASP 10 CO -0.30 0.65 -0.18 0.00 -1.72 0.00 0.00 179.24 177.69 1ucp h ALA 11 N 1.47 -0.51 -0.69 3.45 0.00 0.98 -0.25 119.26 123.71 1ucp h ALA 11 Ca 0.44 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1ucp h ALA 11 Cb 0.21 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1ucp h ALA 11 CO -0.18 -0.79 0.24 -0.07 0.00 0.00 0.00 179.25 178.45 1ucp h LEU 12 N -0.52 0.96 -0.69 0.00 -0.00 -0.90 -0.30 115.31 113.86 1ucp h LEU 12 Ca -0.05 -0.16 0.04 0.00 -0.00 0.00 0.00 57.88 57.71 1ucp h LEU 12 Cb 0.40 -0.25 -0.05 0.00 -0.00 0.00 0.00 40.66 40.76 1ucp h LEU 12 CO 0.09 0.89 0.42 -0.33 -0.00 0.00 0.00 178.44 179.50 1ucp h GLU 13 N 1.01 0.77 0.00 1.13 4.39 -1.15 -1.67 114.58 119.06 1ucp h GLU 13 Ca 0.23 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1ucp h GLU 13 Cb 0.25 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1ucp h GLU 13 CO -0.01 0.51 0.00 0.09 -1.16 0.00 0.00 179.01 178.44 1ucp n ASN 14 N -4.71 0.51 -4.88 1.42 3.02 -0.12 -4.85 115.26 105.65 1ucp n ASN 14 Ca 0.08 0.58 -0.30 0.00 -0.03 0.00 0.00 54.58 54.91 1ucp n ASN 14 Cb 0.13 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 38.58 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 -4.04 3.53 0.52 3.41 1.43 -0.20 -5.07 118.68 118.27 1ucp s LEU 15 Ca 0.09 1.23 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 1ucp s LEU 15 Cb 0.12 -4.20 0.02 0.00 0.03 0.00 0.00 46.19 42.16 1ucp s LEU 15 CO 0.47 -0.64 0.74 0.42 0.23 0.00 0.00 176.35 177.57 1ucp s THR 16 N -2.80 3.11 0.48 5.49 -4.23 -1.26 -4.85 115.64 111.58 1ucp s THR 16 Ca 0.52 -0.62 0.14 0.00 -1.18 0.00 0.00 61.69 60.55 1ucp s THR 16 Cb -0.10 -3.16 0.25 0.00 1.34 0.00 0.00 72.50 70.83 1ucp s THR 16 CO 0.43 -0.11 2.10 0.00 -0.54 0.00 0.00 174.62 176.50 1ucp h ALA 17 N 0.19 1.87 -0.07 3.99 0.00 -1.98 0.31 119.26 123.57 1ucp h ALA 17 Ca -0.43 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1ucp h ALA 17 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ucp h ALA 17 CO 0.54 0.11 -0.28 1.49 0.00 0.00 0.00 179.25 181.10 1ucp h GLU 18 N 0.12 0.31 -0.58 0.00 4.57 -1.98 0.01 114.58 117.02 1ucp h GLU 18 Ca 0.03 -0.24 -0.09 0.00 -1.18 0.00 0.00 59.36 57.87 1ucp h GLU 18 Cb 0.06 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1ucp h GLU 18 CO -0.00 0.88 -0.01 0.93 -1.18 0.00 0.00 179.01 179.63 1ucp h GLU 19 N -0.18 1.02 -0.56 1.92 4.39 -1.84 -1.49 114.58 117.83 1ucp h GLU 19 Ca -0.01 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 1ucp h GLU 19 Cb 0.92 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 1ucp h GLU 19 CO 0.06 1.00 0.33 -0.07 -1.16 0.00 0.00 179.01 179.17 1ucp h LEU 20 N 0.93 0.68 -0.04 1.33 3.38 -0.41 0.31 115.31 121.50 1ucp h LEU 20 Ca 0.17 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1ucp h LEU 20 Cb 0.55 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1ucp h LEU 20 CO 0.03 0.55 -0.28 0.50 0.09 0.00 0.00 178.44 179.33 1ucp h LYS 21 N 0.76 -0.38 -0.19 1.13 3.64 -0.70 0.31 116.57 121.13 1ucp h LYS 21 Ca 0.20 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1ucp h LYS 21 Cb 0.00 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1ucp h LYS 21 CO -0.04 -0.26 -0.27 0.87 -2.27 0.00 0.00 179.45 177.48 1ucp h LYS 22 N -0.40 0.36 0.50 1.90 1.57 -0.86 -1.28 116.57 118.35 1ucp h LYS 22 Ca 0.07 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1ucp h LYS 22 Cb 0.50 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1ucp h LYS 22 CO -0.26 0.61 -0.24 0.35 -0.57 0.00 0.00 179.45 179.33 1ucp h PHE 23 N 0.32 -0.62 -0.84 -1.35 3.57 0.15 0.24 116.94 118.40 1ucp h PHE 23 Ca 0.05 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.66 1ucp h PHE 23 Cb 0.65 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.53 1ucp h PHE 23 CO 0.02 -0.36 0.55 0.87 -2.23 0.00 0.00 178.31 177.15 1ucp h LYS 24 N -0.71 0.65 0.06 1.11 1.57 -0.72 0.19 116.57 118.71 1ucp h LYS 24 Ca -0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1ucp h LYS 24 Cb 0.53 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1ucp h LYS 24 CO 0.11 0.43 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.32 1ucp h LEU 25 N 0.67 -0.06 -1.74 2.94 3.38 -1.03 -3.33 115.31 116.14 1ucp h LEU 25 Ca 0.41 -0.56 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1ucp h LEU 25 Cb 0.66 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1ucp h LEU 25 CO -0.17 0.58 -0.14 0.11 0.09 0.00 0.00 178.44 178.90 1ucp h LYS 26 N -0.76 0.00 0.00 1.13 1.79 0.23 0.43 116.57 119.39 1ucp h LYS 26 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1ucp h LYS 26 Cb 0.62 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1ucp h LYS 26 CO 0.01 0.14 0.00 -0.07 -1.08 0.00 0.00 179.45 178.45 1ucp h LEU 27 N 0.00 0.00 -4.51 2.94 3.38 -0.75 -2.09 115.31 114.28 1ucp h LEU 27 Ca -0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.52 1ucp h LEU 27 Cb 0.26 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.59 1ucp h LEU 27 CO 0.02 0.00 -0.94 -0.11 0.09 0.00 0.00 178.44 177.50 1ucp n LEU 28 N -3.07 3.52 0.03 1.67 0.00 0.11 -4.74 117.00 114.52 1ucp n LEU 28 Ca -0.02 -4.20 0.00 0.00 0.00 0.00 0.00 56.01 51.79 1ucp n LEU 28 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 43.42 43.50 1ucp n LEU 28 CO 0.21 1.75 0.00 -0.24 0.00 0.00 0.00 177.39 179.11 1ucp n SER 29 N -0.57 0.34 -4.64 1.96 2.88 -0.80 -4.95 113.62 107.84 1ucp n SER 29 Ca 0.28 0.08 -0.42 0.00 -1.33 0.00 0.00 58.87 57.48 1ucp n SER 29 Cb 0.85 -0.08 -0.03 0.00 -0.75 0.00 0.00 64.21 64.21 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 -1.40 3.23 0.27 2.46 0.11 -1.15 -4.95 120.40 118.97 1ucp s VAL 30 Ca 0.00 0.26 -0.29 0.00 -2.93 0.00 0.00 61.98 59.02 1ucp s VAL 30 Cb 0.00 -3.21 -0.10 0.00 -1.53 0.00 0.00 36.38 31.55 1ucp s VAL 30 CO 0.00 -0.06 1.33 -2.16 -3.33 0.00 0.00 175.10 170.88 1ucp s PRO 31 N 4.82 4.36 0.59 1.54 0.04 -1.26 -4.95 135.00 140.14 1ucp s PRO 31 Ca 0.86 2.17 -0.08 0.00 0.04 0.00 0.00 61.00 63.99 1ucp s PRO 31 Cb -0.36 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.04 1ucp s PRO 31 CO 0.36 -0.25 0.94 -1.17 0.04 0.00 0.00 177.00 176.92 1ucp s LEU 32 N -0.93 3.28 0.85 -3.56 2.96 -1.26 -5.07 118.68 114.95 1ucp s LEU 32 Ca 0.54 1.03 -0.12 0.00 -0.22 0.00 0.00 54.13 55.36 1ucp s LEU 32 Cb -0.39 -3.94 0.10 0.00 0.50 0.00 0.00 46.19 42.46 1ucp s LEU 32 CO 0.46 -0.93 1.10 -0.13 -1.32 0.00 0.00 176.35 175.53 1ucp s ARG 33 N -5.04 1.68 0.67 1.98 0.52 -1.26 -5.03 118.95 112.47 1ucp s ARG 33 Ca 0.53 0.64 -0.09 0.00 -0.52 0.00 0.00 55.73 56.30 1ucp s ARG 33 Cb -0.11 -1.87 0.03 0.00 0.52 0.00 0.00 34.95 33.52 1ucp s ARG 33 CO 0.48 -1.90 1.02 -2.00 0.02 0.00 0.00 175.30 172.92 1ucp s GLU 34 N -5.10 2.66 0.00 3.54 2.56 -1.26 -4.06 118.70 117.04 1ucp s GLU 34 Ca 0.62 0.12 0.00 0.00 0.00 0.00 0.00 54.97 55.71 1ucp s GLU 34 Cb -0.16 -2.13 0.00 0.00 2.00 0.00 0.00 34.13 33.84 1ucp s GLU 34 CO 0.55 -1.01 0.00 0.41 -0.56 0.00 0.00 175.26 174.65 1ucp n GLY 35 N -2.87 0.67 3.35 -1.50 0.00 -1.26 -5.03 105.19 98.55 1ucp n GLY 35 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.66 0.94 0.24 1.61 2.02 -1.26 -5.18 117.35 113.07 1ucp s TYR 36 Ca 0.00 -1.19 0.02 0.00 -0.37 0.00 0.00 57.07 55.54 1ucp s TYR 36 Cb 0.00 -0.30 0.02 0.00 -0.40 0.00 0.00 41.96 41.29 1ucp s TYR 36 CO 0.00 -0.81 0.20 0.41 -1.57 0.00 0.00 175.55 173.78 1ucp n GLY 37 N -0.35 2.82 2.84 0.71 0.00 -1.26 -4.97 105.19 104.98 1ucp n GLY 37 Ca 0.01 -2.22 -0.21 0.00 0.00 0.00 0.00 46.02 43.60 1ucp n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ucp s ARG 38 N -3.00 0.69 -0.28 1.61 1.81 -1.26 -4.90 118.95 113.62 1ucp s ARG 38 Ca 0.15 -0.01 -0.26 0.00 -1.72 0.00 0.00 55.73 53.89 1ucp s ARG 38 Cb -0.01 -0.85 0.00 0.00 -0.45 0.00 0.00 34.95 33.64 1ucp s ARG 38 CO 0.09 -0.17 0.90 0.42 -0.68 0.00 0.00 175.30 175.87 1ucp s ILE 39 N 1.32 4.73 0.73 1.52 1.01 -1.26 -5.03 121.20 124.21 1ucp s ILE 39 Ca -0.05 1.57 -0.11 0.00 0.00 0.00 0.00 60.65 62.05 1ucp s ILE 39 Cb -0.13 -4.22 0.03 0.00 0.01 0.00 0.00 42.46 38.15 1ucp s ILE 39 CO -0.02 -0.23 1.09 -2.16 0.00 0.00 0.00 174.94 173.62 1ucp s PRO 40 N 3.10 2.63 0.23 2.79 0.04 -1.26 -4.62 135.00 137.91 1ucp s PRO 40 Ca 0.38 0.62 -0.06 0.00 0.04 0.00 0.00 61.00 61.98 1ucp s PRO 40 Cb -0.14 -1.98 0.33 0.00 0.04 0.00 0.00 34.50 32.74 1ucp s PRO 40 CO 0.10 -1.23 1.83 -0.09 0.04 0.00 0.00 177.00 177.64 1ucp h ARG 41 N -0.81 0.81 -0.40 4.56 2.43 -1.93 -1.18 114.38 117.87 1ucp h ARG 41 Ca -0.46 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.69 1ucp h ARG 41 Cb 1.25 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 1ucp h ARG 41 CO 0.61 0.54 0.22 0.78 -1.51 0.00 0.00 179.97 180.60 1ucp h GLY 42 N 0.84 0.55 0.70 2.80 0.00 -1.93 -0.09 103.07 105.93 1ucp h GLY 42 Ca 0.36 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.56 1ucp h GLY 42 CO -0.20 0.13 -0.09 0.00 0.00 0.00 0.00 176.54 176.38 1ucp h ALA 43 N 1.20 -0.04 -0.20 3.60 0.00 -1.74 -1.51 119.26 120.57 1ucp h ALA 43 Ca 0.17 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1ucp h ALA 43 Cb 0.05 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ucp h ALA 43 CO -0.10 -0.56 0.13 -0.07 0.00 0.00 0.00 179.25 178.65 1ucp h LEU 44 N -0.12 0.17 -0.05 0.00 3.38 -0.53 0.00 115.31 118.16 1ucp h LEU 44 Ca 0.06 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 1ucp h LEU 44 Cb 0.20 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ucp h LEU 44 CO -0.14 0.12 -1.07 -0.07 0.09 0.00 0.00 178.44 177.37 1ucp h LEU 45 N 0.20 0.48 -0.89 1.67 -0.00 -0.57 -3.24 115.31 112.96 1ucp h LEU 45 Ca 0.08 -0.44 -0.06 0.00 -0.00 0.00 0.00 57.88 57.46 1ucp h LEU 45 Cb 0.07 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.55 1ucp h LEU 45 CO -0.01 1.28 0.12 0.77 -0.00 0.00 0.00 178.44 180.59 1ucp h SER 46 N 0.16 0.89 -4.17 -0.43 4.64 -0.19 -3.44 113.55 111.01 1ucp h SER 46 Ca -0.10 -0.18 -0.48 0.00 -0.47 0.00 0.00 61.79 60.55 1ucp h SER 46 Cb 1.75 -0.23 0.13 0.00 -0.31 0.00 0.00 62.40 63.73 1ucp h SER 46 CO 0.18 0.88 0.29 -0.04 -0.87 0.00 0.00 176.83 177.27 1ucp s MET 47 N -5.20 1.54 0.00 4.77 -1.94 -0.14 -5.11 119.30 113.22 1ucp s MET 47 Ca -0.11 0.67 0.00 0.00 -1.71 0.00 0.00 55.69 54.54 1ucp s MET 47 Cb 0.15 -1.85 0.00 0.00 2.01 0.00 0.00 34.83 35.14 1ucp s MET 47 CO 0.82 -2.01 0.00 -0.40 -0.01 0.00 0.00 175.02 173.43 1ucp n ASP 48 N -3.70 1.06 -0.14 3.03 5.68 -1.26 -4.92 116.55 116.30 1ucp n ASP 48 Ca 0.07 -0.05 -0.10 0.00 -0.50 0.00 0.00 54.79 54.21 1ucp n ASP 48 Cb 0.56 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.53 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 1.00 0.55 0.25 2.12 0.00 -1.94 -0.62 119.26 120.61 1ucp h ALA 49 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1ucp h ALA 49 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ucp h ALA 49 CO 0.00 0.34 -0.12 1.25 0.00 0.00 0.00 179.25 180.73 1ucp h LEU 50 N 0.55 -0.28 -0.37 0.00 5.85 -1.97 -0.44 115.31 118.65 1ucp h LEU 50 Ca 0.11 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1ucp h LEU 50 Cb 0.51 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1ucp h LEU 50 CO 0.02 0.08 0.03 0.44 -0.34 0.00 0.00 178.44 178.68 1ucp h ASP 51 N -0.68 -0.09 0.41 1.25 3.32 -1.96 -1.40 116.42 117.27 1ucp h ASP 51 Ca -0.03 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1ucp h ASP 51 Cb 0.47 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1ucp h ASP 51 CO 0.06 -0.01 -0.19 0.25 -1.72 0.00 0.00 179.24 177.62 1ucp h LEU 52 N 0.14 -0.46 -0.32 1.55 5.85 -1.10 0.15 115.31 121.12 1ucp h LEU 52 Ca 0.18 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.97 1ucp h LEU 52 Cb 0.23 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 1ucp h LEU 52 CO -0.27 -0.32 -0.15 0.74 -0.34 0.00 0.00 178.44 178.11 1ucp h THR 53 N -0.56 0.54 -0.27 1.05 2.02 -0.49 0.38 112.91 115.58 1ucp h THR 53 Ca -0.06 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 1ucp h THR 53 Cb 0.43 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1ucp h THR 53 CO 0.09 0.00 -0.25 0.44 0.37 0.00 0.00 175.52 176.17 1ucp h ASP 54 N -0.09 0.68 0.80 4.18 3.32 -1.25 -1.80 116.42 122.26 1ucp h ASP 54 Ca 0.17 -0.47 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1ucp h ASP 54 Cb 0.35 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.71 1ucp h ASP 54 CO -0.39 1.01 -0.38 0.50 -1.72 0.00 0.00 179.24 178.26 1ucp h LYS 55 N 0.37 -1.03 -0.29 3.56 3.64 -0.13 -0.73 116.57 121.95 1ucp h LYS 55 Ca 0.04 0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1ucp h LYS 55 Cb 0.81 0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 32.81 1ucp h LYS 55 CO 0.06 -0.69 -0.10 1.25 -2.27 0.00 0.00 179.45 177.71 1ucp h LEU 56 N -1.08 -0.34 -0.70 5.20 7.12 -0.29 0.40 115.31 125.62 1ucp h LEU 56 Ca -0.11 0.10 -0.06 0.00 0.13 0.00 0.00 57.88 57.94 1ucp h LEU 56 Cb 0.82 0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 41.13 1ucp h LEU 56 CO 0.18 -0.12 0.21 0.58 -0.13 0.00 0.00 178.44 179.16 1ucp h VAL 57 N -0.03 1.26 -0.04 1.05 2.07 -1.31 -2.35 116.25 116.90 1ucp h VAL 57 Ca 0.15 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 1ucp h VAL 57 Cb 0.25 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1ucp h VAL 57 CO -0.32 0.35 -0.16 -1.28 0.02 0.00 0.00 177.57 176.17 1ucp h SER 58 N 1.03 0.21 1.11 0.57 0.87 -0.08 -2.83 113.55 114.42 1ucp h SER 58 Ca 0.22 -0.65 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1ucp h SER 58 Cb 0.31 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1ucp h SER 58 CO -0.01 0.82 0.00 0.15 -0.53 0.00 0.00 176.83 177.27 1ucp h PHE 59 N -0.39 0.00 0.00 2.24 3.04 -0.30 -3.41 116.94 118.12 1ucp h PHE 59 Ca -0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1ucp h PHE 59 Cb 0.81 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.32 1ucp h PHE 59 CO 0.14 0.00 0.00 0.66 -2.02 0.00 0.00 178.31 177.09 1ucp n TYR 60 N -3.00 0.00 -3.81 0.41 4.01 -0.88 -4.68 117.16 109.21 1ucp n TYR 60 Ca 0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.70 1ucp n TYR 60 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.34 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 -0.17 -0.01 7.72 2.01 -1.07 -5.02 118.68 122.14 1ucp s LEU 61 Ca 0.00 -0.58 -0.16 0.00 0.01 0.00 0.00 54.13 53.40 1ucp s LEU 61 Cb 0.00 2.43 -0.09 0.00 0.01 0.00 0.00 46.19 48.54 1ucp s LEU 61 CO 0.00 -1.15 0.76 -0.33 1.01 0.00 0.00 176.35 176.64 1ucp h GLU 62 N 2.00 -0.55 -0.31 1.70 5.08 -1.91 -0.42 114.58 120.18 1ucp h GLU 62 Ca -0.23 0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.05 1ucp h GLU 62 Cb 1.24 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1ucp h GLU 62 CO 0.27 -0.37 -0.28 1.15 -1.00 0.00 0.00 179.01 178.78 1ucp h THR 63 N -0.95 1.28 -0.25 1.13 2.02 -1.97 -1.45 112.91 112.72 1ucp h THR 63 Ca -0.06 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.73 1ucp h THR 63 Cb 0.44 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1ucp h THR 63 CO 0.10 0.45 0.11 0.22 0.37 0.00 0.00 175.52 176.76 1ucp h TYR 64 N 0.54 0.33 -0.44 3.16 5.03 -1.98 -1.62 116.97 122.00 1ucp h TYR 64 Ca 0.07 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.29 1ucp h TYR 64 Cb 0.77 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.92 1ucp h TYR 64 CO 0.03 0.26 -0.05 0.78 -1.32 0.00 0.00 178.16 177.86 1ucp h GLY 65 N 0.47 0.87 1.19 1.82 0.00 0.03 0.11 103.07 107.57 1ucp h GLY 65 Ca 0.09 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 1ucp h GLY 65 CO -0.01 0.63 0.17 0.00 0.00 0.00 0.00 176.54 177.32 1ucp h ALA 66 N 0.88 1.07 0.48 3.60 0.00 -1.18 -0.81 119.26 123.30 1ucp h ALA 66 Ca 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ucp h ALA 66 Cb 0.57 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ucp h ALA 66 CO 0.03 0.62 -0.32 1.49 0.00 0.00 0.00 179.25 181.07 1ucp h GLU 67 N 0.97 -0.74 -0.02 0.00 4.22 -0.99 -1.34 114.58 116.68 1ucp h GLU 67 Ca 0.21 0.05 0.03 0.00 0.08 0.00 0.00 59.36 59.73 1ucp h GLU 67 Cb 0.33 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1ucp h GLU 67 CO -0.00 -0.49 -0.36 1.25 -2.18 0.00 0.00 179.01 177.22 1ucp h LEU 68 N -0.77 -1.10 0.29 1.64 6.46 -0.55 0.20 115.31 121.49 1ucp h LEU 68 Ca -0.05 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1ucp h LEU 68 Cb 0.64 0.44 -0.03 0.00 -0.73 0.00 0.00 40.66 40.98 1ucp h LEU 68 CO 0.04 -0.41 -0.38 0.74 -0.62 0.00 0.00 178.44 177.81 1ucp h THR 69 N -0.51 0.23 -0.14 1.05 2.02 -1.12 0.10 112.91 114.55 1ucp h THR 69 Ca 0.06 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 1ucp h THR 69 Cb 0.60 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1ucp h THR 69 CO -0.30 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.51 1ucp h ALA 70 N -0.25 1.62 0.65 6.16 0.00 -0.91 -0.30 119.26 126.24 1ucp h ALA 70 Ca -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1ucp h ALA 70 Cb 0.67 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ucp h ALA 70 CO -0.12 0.28 -0.31 -0.97 0.00 0.00 0.00 179.25 178.13 1ucp h ASN 71 N 0.20 -0.74 -0.59 0.00 -1.24 -0.09 -0.48 115.58 112.63 1ucp h ASN 71 Ca 0.04 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1ucp h ASN 71 Cb 0.27 0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.48 1ucp h ASN 71 CO 0.01 -0.35 0.39 0.58 -1.29 0.00 0.00 177.43 176.77 1ucp h VAL 72 N -1.23 1.16 -0.09 2.57 2.07 -0.94 0.95 116.25 120.74 1ucp h VAL 72 Ca -0.09 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1ucp h VAL 72 Cb 0.67 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1ucp h VAL 72 CO 0.15 0.15 0.04 -0.07 0.02 0.00 0.00 177.57 177.86 1ucp h LEU 73 N 0.81 0.11 -1.97 2.57 3.38 -1.05 -1.14 115.31 118.02 1ucp h LEU 73 Ca 0.22 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1ucp h LEU 73 Cb -0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1ucp h LEU 73 CO -0.05 0.21 -0.10 -0.09 0.09 0.00 0.00 178.44 178.51 1ucp h ARG 74 N 0.00 0.00 -0.42 1.13 2.43 -0.37 -1.07 114.38 116.09 1ucp h ARG 74 Ca 0.03 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1ucp h ARG 74 Cb 0.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1ucp h ARG 74 CO -0.00 0.10 -0.04 0.22 -1.51 0.00 0.00 179.97 178.74 1ucp h ASP 75 N 0.00 0.75 -0.61 -3.80 3.58 -0.17 -2.54 116.42 113.62 1ucp h ASP 75 Ca -0.00 -0.33 0.05 0.00 0.42 0.00 0.00 57.03 57.17 1ucp h ASP 75 Cb 0.21 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 1ucp h ASP 75 CO 0.01 0.90 0.41 0.24 -2.88 0.00 0.00 179.24 177.92 1ucp h MET 76 N 0.59 0.62 0.00 0.28 2.86 -0.23 -3.46 114.93 115.59 1ucp h MET 76 Ca 0.11 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1ucp h MET 76 Cb 0.54 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1ucp h MET 76 CO 0.03 0.41 0.00 0.41 1.06 0.00 0.00 176.91 178.82 1ucp n GLY 77 N -1.47 0.76 3.59 8.32 0.00 -0.78 -5.10 105.19 110.51 1ucp n GLY 77 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 3.48 -0.19 0.99 0.20 -0.50 -4.86 118.68 117.80 1ucp s LEU 78 Ca 0.00 0.61 0.16 0.00 0.69 0.00 0.00 54.13 55.58 1ucp s LEU 78 Cb 0.00 -3.26 -0.23 0.00 -0.43 0.00 0.00 46.19 42.27 1ucp s LEU 78 CO 0.00 -1.64 0.05 0.00 -0.29 0.00 0.00 176.35 174.46 1ucp n GLN 79 N 8.44 0.91 0.16 1.98 10.64 -1.26 -2.42 117.38 135.82 1ucp n GLN 79 Ca 0.16 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.26 1ucp n GLN 79 Cb 0.49 -1.48 -0.03 0.00 -0.86 0.00 0.00 30.24 28.35 1ucp n GLN 79 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 1ucp h GLU 80 N 0.00 -0.41 -0.11 2.61 4.11 -1.99 -0.51 114.58 118.29 1ucp h GLU 80 Ca -0.51 0.03 -0.08 0.00 0.07 0.00 0.00 59.36 58.87 1ucp h GLU 80 Cb 2.14 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.47 1ucp h GLU 80 CO 0.02 -0.27 -0.28 1.98 0.07 0.00 0.00 179.01 180.53 1ucp h MET 81 N -0.47 0.21 -0.58 1.06 -1.53 -1.99 -0.70 114.93 110.94 1ucp h MET 81 Ca -0.04 -0.07 -0.01 0.00 -3.44 0.00 0.00 59.70 56.13 1ucp h MET 81 Cb 0.32 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.33 1ucp h MET 81 CO 0.07 0.48 0.31 0.00 0.14 0.00 0.00 176.91 177.91 1ucp h ALA 82 N 1.53 1.46 -0.04 0.39 0.00 -1.75 0.24 119.26 121.10 1ucp h ALA 82 Ca 0.03 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1ucp h ALA 82 Cb 0.60 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ucp h ALA 82 CO 0.04 0.44 -0.76 0.78 0.00 0.00 0.00 179.25 179.76 1ucp h GLY 83 N 0.87 0.27 0.87 0.00 0.00 -0.16 -1.67 103.07 103.26 1ucp h GLY 83 Ca 0.21 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1ucp h GLY 83 CO -0.03 0.36 -0.07 1.46 0.00 0.00 0.00 176.54 178.26 1ucp h GLN 84 N 0.16 0.54 -0.57 4.80 1.08 -0.26 -1.48 115.11 119.37 1ucp h GLN 84 Ca -0.03 -0.21 0.11 0.00 -1.45 0.00 0.00 58.65 57.07 1ucp h GLN 84 Cb 1.33 -0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 28.65 1ucp h GLN 84 CO 0.12 0.75 0.12 1.25 -0.95 0.00 0.00 178.83 180.11 1ucp h LEU 85 N 0.29 -0.01 0.75 1.46 5.85 -0.54 0.27 115.31 123.39 1ucp h LEU 85 Ca 0.07 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1ucp h LEU 85 Cb 0.56 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1ucp h LEU 85 CO 0.03 0.01 -0.44 -0.61 -0.34 0.00 0.00 178.44 177.09 1ucp h GLN 86 N 0.25 -1.07 -0.57 1.25 5.75 -1.22 -1.69 115.11 117.80 1ucp h GLN 86 Ca 0.30 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.87 1ucp h GLN 86 Cb 0.43 0.24 -0.03 0.00 1.07 0.00 0.00 27.48 29.20 1ucp h GLN 86 CO -0.39 -0.71 0.36 0.00 -2.65 0.00 0.00 178.83 175.44 1ucp h ALA 87 N -1.28 1.56 0.51 3.38 0.00 -0.46 -0.26 119.26 122.71 1ucp h ALA 87 Ca -0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1ucp h ALA 87 Cb 0.88 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ucp h ALA 87 CO 0.11 0.40 -0.25 0.00 0.00 0.00 0.00 179.25 179.51 1ucp h ALA 88 N 1.62 -0.69 -0.17 0.00 0.00 -0.52 -0.87 119.26 118.63 1ucp h ALA 88 Ca 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ucp h ALA 88 Cb -0.06 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ucp h ALA 88 CO -0.04 -0.77 -0.02 1.15 0.00 0.00 0.00 179.25 179.57 1ucp h THR 89 N -0.91 1.12 -0.66 0.00 2.02 -0.80 -3.40 112.91 110.28 1ucp h THR 89 Ca -0.07 -0.49 0.14 0.00 0.77 0.00 0.00 66.41 66.77 1ucp h THR 89 Cb 0.61 1.02 -0.21 0.00 -1.74 0.00 0.00 68.15 67.83 1ucp h THR 89 CO 0.12 0.16 -0.13 -2.28 0.37 0.00 0.00 175.52 173.76 1ucp s HIS 90 N -4.96 -1.13 -2.00 3.16 5.65 -0.16 -4.69 115.29 111.17 1ucp s HIS 90 Ca -0.06 0.95 0.08 0.00 0.25 0.00 0.00 55.06 56.28 1ucp s HIS 90 Cb 0.16 0.30 0.47 0.00 -1.18 0.00 0.00 32.58 32.34 1ucp s HIS 90 CO 0.72 -0.64 0.93 0.94 -0.65 0.00 0.00 174.74 176.04