#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 0.88 0.58 -5.12 0.00 -1.26 -4.77 105.19 95.49 1ucp n GLY 2 Ca 0.00 -1.39 0.44 0.00 0.00 0.00 0.00 46.02 45.07 1ucp n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ucp n ARG 3 N 3.29 -0.01 -0.02 1.61 1.74 -1.26 -0.88 116.66 121.13 1ucp n ARG 3 Ca 0.00 0.95 -0.09 0.00 -0.77 0.00 0.00 57.85 57.94 1ucp n ARG 3 Cb 0.00 -2.13 -0.02 0.00 -1.02 0.00 0.00 32.46 29.28 1ucp n ARG 3 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ucp h ALA 4 N 0.93 -0.11 -0.34 7.54 0.00 -1.86 0.13 119.26 125.56 1ucp h ALA 4 Ca 0.80 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 55.59 1ucp h ALA 4 Cb 3.11 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 21.31 1ucp h ALA 4 CO -0.07 -0.64 -0.48 0.00 0.00 0.00 0.00 179.25 178.06 1ucp h ARG 5 N -0.23 0.92 -0.47 0.00 3.08 -1.34 -1.86 114.38 114.47 1ucp h ARG 5 Ca 0.11 -0.54 -0.00 0.00 0.07 0.00 0.00 59.98 59.63 1ucp h ARG 5 Cb 0.40 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1ucp h ARG 5 CO -0.31 1.18 0.28 -0.44 -1.07 0.00 0.00 179.97 179.61 1ucp h ASP 6 N 0.72 0.57 -0.38 7.04 5.19 -1.55 0.16 116.42 128.17 1ucp h ASP 6 Ca 0.04 -0.06 -0.13 0.00 -0.62 0.00 0.00 57.03 56.25 1ucp h ASP 6 Cb 1.08 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.44 1ucp h ASP 6 CO 0.11 0.46 -0.28 0.00 -3.12 0.00 0.00 179.24 176.41 1ucp h ALA 7 N 1.13 0.55 -0.07 3.45 0.00 -0.70 0.19 119.26 123.81 1ucp h ALA 7 Ca 0.17 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ucp h ALA 7 Cb -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ucp h ALA 7 CO -0.03 0.58 0.03 0.82 0.00 0.00 0.00 179.25 180.65 1ucp h ILE 8 N 0.68 1.13 -0.18 0.00 2.04 -1.18 -1.05 117.51 118.95 1ucp h ILE 8 Ca 0.07 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.61 1ucp h ILE 8 Cb 0.86 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 1ucp h ILE 8 CO 0.08 0.11 -0.13 0.25 0.00 0.00 0.00 178.15 178.46 1ucp h LEU 9 N -0.02 -0.41 -0.61 1.44 7.12 -0.76 0.46 115.31 122.53 1ucp h LEU 9 Ca 0.03 0.09 0.08 0.00 0.13 0.00 0.00 57.88 58.21 1ucp h LEU 9 Cb 0.14 0.21 -0.07 0.00 -0.53 0.00 0.00 40.66 40.42 1ucp h LEU 9 CO -0.00 -0.17 0.26 0.44 -0.13 0.00 0.00 178.44 178.84 1ucp h ASP 10 N -0.13 0.30 0.53 1.25 3.32 -0.56 -0.97 116.42 120.16 1ucp h ASP 10 Ca 0.11 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1ucp h ASP 10 Cb 0.29 0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.87 1ucp h ASP 10 CO -0.26 0.19 -0.25 0.00 -1.72 0.00 0.00 179.24 177.19 1ucp h ALA 11 N 1.39 -0.71 -0.71 3.45 0.00 -0.34 -0.95 119.26 121.39 1ucp h ALA 11 Ca 0.30 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1ucp h ALA 11 Cb 0.32 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1ucp h ALA 11 CO -0.27 -0.81 0.47 -0.07 0.00 0.00 0.00 179.25 178.58 1ucp h LEU 12 N -0.89 0.49 -0.22 0.00 -0.00 -0.62 0.86 115.31 114.92 1ucp h LEU 12 Ca -0.07 0.01 -0.10 0.00 -0.00 0.00 0.00 57.88 57.73 1ucp h LEU 12 Cb 0.61 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1ucp h LEU 12 CO 0.12 0.28 -0.24 -0.33 -0.00 0.00 0.00 178.44 178.28 1ucp h GLU 13 N 0.54 0.54 0.00 1.13 4.39 -1.15 -3.12 114.58 116.91 1ucp h GLU 13 Ca 0.33 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1ucp h GLU 13 Cb 0.57 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1ucp h GLU 13 CO -0.11 0.88 0.00 -0.91 -1.16 0.00 0.00 179.01 177.71 1ucp h ASN 14 N 0.23 0.00 -3.69 1.42 4.21 0.03 -3.43 115.58 114.35 1ucp h ASN 14 Ca 0.03 0.00 -0.50 0.00 1.21 0.00 0.00 56.30 57.04 1ucp h ASN 14 Cb 0.79 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.97 1ucp h ASN 14 CO 0.06 0.00 0.24 -0.76 -1.29 0.00 0.00 177.43 175.68 1ucp s LEU 15 N -5.44 4.44 0.47 1.61 1.43 0.18 -5.05 118.68 116.32 1ucp s LEU 15 Ca 0.01 1.69 0.01 0.00 -1.03 0.00 0.00 54.13 54.81 1ucp s LEU 15 Cb 0.09 -3.67 0.01 0.00 0.03 0.00 0.00 46.19 42.65 1ucp s LEU 15 CO 0.44 0.06 0.68 0.42 0.23 0.00 0.00 176.35 178.18 1ucp s THR 16 N -1.42 3.66 0.59 5.49 -4.23 -1.26 -4.83 115.64 113.64 1ucp s THR 16 Ca 0.43 -0.58 0.38 0.00 -1.18 0.00 0.00 61.69 60.74 1ucp s THR 16 Cb -0.20 -3.35 0.40 0.00 1.34 0.00 0.00 72.50 70.69 1ucp s THR 16 CO 0.25 -0.24 2.29 0.00 -0.54 0.00 0.00 174.62 176.38 1ucp h ALA 17 N 0.36 1.19 -0.05 3.99 0.00 -1.96 0.17 119.26 122.95 1ucp h ALA 17 Ca -0.45 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1ucp h ALA 17 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ucp h ALA 17 CO 0.55 0.01 -0.14 1.49 0.00 0.00 0.00 179.25 181.17 1ucp h GLU 18 N 0.00 0.18 -0.44 0.00 4.57 -1.99 -0.76 114.58 116.14 1ucp h GLU 18 Ca -0.00 -0.13 -0.09 0.00 -1.18 0.00 0.00 59.36 57.97 1ucp h GLU 18 Cb 0.06 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1ucp h GLU 18 CO 0.00 0.74 -0.06 0.93 -1.18 0.00 0.00 179.01 179.44 1ucp h GLU 19 N -0.36 0.82 -0.72 1.92 4.39 -1.61 -1.85 114.58 117.17 1ucp h GLU 19 Ca -0.00 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1ucp h GLU 19 Cb 0.75 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 1ucp h GLU 19 CO 0.03 0.91 0.44 -0.07 -1.16 0.00 0.00 179.01 179.16 1ucp h LEU 20 N 0.65 0.86 0.66 1.33 3.38 -0.77 0.25 115.31 121.67 1ucp h LEU 20 Ca 0.12 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1ucp h LEU 20 Cb 0.58 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1ucp h LEU 20 CO 0.03 0.66 -0.44 0.50 0.09 0.00 0.00 178.44 179.29 1ucp h LYS 21 N 0.99 -1.00 -0.12 1.13 3.64 -0.75 0.37 116.57 120.82 1ucp h LYS 21 Ca 0.26 0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.66 1ucp h LYS 21 Cb -0.05 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1ucp h LYS 21 CO -0.05 -0.67 -0.13 0.87 -2.27 0.00 0.00 179.45 177.20 1ucp h LYS 22 N -1.04 0.19 0.35 1.90 1.57 -0.93 -1.46 116.57 117.15 1ucp h LYS 22 Ca -0.08 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1ucp h LYS 22 Cb 0.85 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1ucp h LYS 22 CO 0.07 0.34 -0.17 0.35 -0.57 0.00 0.00 179.45 179.46 1ucp h PHE 23 N 0.19 -0.44 -0.73 -1.35 3.57 -0.33 0.23 116.94 118.07 1ucp h PHE 23 Ca 0.04 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.68 1ucp h PHE 23 Cb 0.36 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 1ucp h PHE 23 CO 0.00 -0.15 0.49 0.87 -2.23 0.00 0.00 178.31 177.30 1ucp h LYS 24 N -0.71 0.35 0.17 1.11 1.57 -0.61 0.54 116.57 118.98 1ucp h LYS 24 Ca -0.05 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.49 1ucp h LYS 24 Cb 0.49 -0.08 0.03 0.00 0.08 0.00 0.00 32.23 32.75 1ucp h LYS 24 CO 0.08 0.23 -0.97 -0.07 -0.57 0.00 0.00 179.45 178.15 1ucp h LEU 25 N 0.36 0.55 -1.37 2.94 3.38 -1.11 -3.35 115.31 116.71 1ucp h LEU 25 Ca 0.36 -0.95 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 1ucp h LEU 25 Cb 0.89 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1ucp h LEU 25 CO -0.10 1.47 0.32 0.11 0.09 0.00 0.00 178.44 180.32 1ucp h LYS 26 N -0.26 0.74 0.00 1.13 1.79 0.37 -0.69 116.57 119.65 1ucp h LYS 26 Ca -0.17 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1ucp h LYS 26 Cb 1.76 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.26 1ucp h LYS 26 CO 0.18 0.53 0.15 -0.07 -1.08 0.00 0.00 179.45 179.16 1ucp h LEU 27 N 0.75 0.00 -4.98 2.94 3.38 -1.05 -1.09 115.31 115.26 1ucp h LEU 27 Ca 0.20 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.82 1ucp h LEU 27 Cb -0.01 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.33 1ucp h LEU 27 CO -0.04 0.00 -1.06 -0.11 0.09 0.00 0.00 178.44 177.32 1ucp n LEU 28 N -2.78 2.33 -0.16 1.67 0.00 -0.34 -4.77 117.00 112.94 1ucp n LEU 28 Ca -0.02 -3.65 0.03 0.00 0.00 0.00 0.00 56.01 52.37 1ucp n LEU 28 Cb 0.20 0.26 0.01 0.00 0.00 0.00 0.00 43.42 43.89 1ucp n LEU 28 CO 0.15 1.43 0.23 -0.24 0.00 0.00 0.00 177.39 178.96 1ucp n SER 29 N -0.47 1.10 -3.80 1.96 2.88 -0.41 -4.99 113.62 109.89 1ucp n SER 29 Ca 0.16 -1.05 -0.12 0.00 -1.33 0.00 0.00 58.87 56.52 1ucp n SER 29 Cb 0.82 0.32 -0.10 0.00 -0.75 0.00 0.00 64.21 64.50 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 -0.83 0.04 1.13 2.46 0.11 -1.26 -5.05 120.40 117.00 1ucp s VAL 30 Ca 0.05 -0.35 -0.17 0.00 -2.93 0.00 0.00 61.98 58.59 1ucp s VAL 30 Cb 0.05 -0.47 0.25 0.00 -1.53 0.00 0.00 36.38 34.68 1ucp s VAL 30 CO 0.12 -0.19 1.11 -2.16 -3.33 0.00 0.00 175.10 170.65 1ucp s PRO 31 N -0.77 -0.60 0.30 1.54 0.04 -1.26 -5.00 135.00 129.24 1ucp s PRO 31 Ca -0.09 0.13 0.02 0.00 0.04 0.00 0.00 61.00 61.10 1ucp s PRO 31 Cb -0.05 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 32.79 1ucp s PRO 31 CO 0.02 -3.34 0.10 -1.17 0.04 0.00 0.00 177.00 172.65 1ucp s LEU 32 N -6.75 1.81 0.88 -3.56 2.96 -1.26 -5.13 118.68 107.63 1ucp s LEU 32 Ca 0.69 -1.44 -0.12 0.00 -0.22 0.00 0.00 54.13 53.04 1ucp s LEU 32 Cb -0.13 -0.06 0.12 0.00 0.50 0.00 0.00 46.19 46.62 1ucp s LEU 32 CO 0.56 -0.75 1.11 -0.13 -1.32 0.00 0.00 176.35 175.83 1ucp s ARG 33 N -3.93 1.39 0.37 1.98 0.52 -1.26 -5.05 118.95 112.97 1ucp s ARG 33 Ca 0.36 0.51 -0.11 0.00 -0.52 0.00 0.00 55.73 55.97 1ucp s ARG 33 Cb 0.07 -1.85 -0.07 0.00 0.52 0.00 0.00 34.95 33.62 1ucp s ARG 33 CO 0.15 -2.07 0.73 -2.00 0.02 0.00 0.00 175.30 172.13 1ucp s GLU 34 N -5.15 3.81 0.00 3.54 2.56 -1.26 -4.08 118.70 118.12 1ucp s GLU 34 Ca 0.63 0.46 0.00 0.00 0.00 0.00 0.00 54.97 56.06 1ucp s GLU 34 Cb -0.16 -2.44 0.00 0.00 2.00 0.00 0.00 34.13 33.54 1ucp s GLU 34 CO 0.55 0.05 0.00 0.41 -0.56 0.00 0.00 175.26 175.70 1ucp n GLY 35 N -1.01 0.61 3.26 -1.50 0.00 -1.26 -5.05 105.19 100.24 1ucp n GLY 35 Ca 0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 1.11 0.56 1.61 2.02 -1.26 -5.14 117.35 114.26 1ucp s TYR 36 Ca 0.00 -1.33 0.08 0.00 -0.37 0.00 0.00 57.07 55.45 1ucp s TYR 36 Cb 0.00 -0.48 0.07 0.00 -0.40 0.00 0.00 41.96 41.15 1ucp s TYR 36 CO 0.00 -0.71 0.64 0.20 -1.57 0.00 0.00 175.55 174.11 1ucp s GLY 37 N -3.16 1.97 -0.05 0.71 0.00 -1.26 -4.97 107.32 100.55 1ucp s GLY 37 Ca 0.37 -1.81 -0.02 0.00 0.00 0.00 0.00 44.72 43.26 1ucp s GLY 37 CO 0.13 -1.77 0.10 0.50 0.00 0.00 0.00 173.10 172.06 1ucp s ARG 38 N -4.51 -0.02 -0.25 2.90 0.52 -1.26 -4.97 118.95 111.36 1ucp s ARG 38 Ca 0.51 0.41 -0.24 0.00 -0.52 0.00 0.00 55.73 55.90 1ucp s ARG 38 Cb -0.04 -0.35 -0.01 0.00 0.52 0.00 0.00 34.95 35.07 1ucp s ARG 38 CO 0.32 -0.28 0.79 0.42 0.02 0.00 0.00 175.30 176.57 1ucp s ILE 39 N 1.92 4.86 0.76 1.52 1.01 -1.26 -5.05 121.20 124.95 1ucp s ILE 39 Ca 0.00 1.44 -0.11 0.00 0.00 0.00 0.00 60.65 61.99 1ucp s ILE 39 Cb -0.12 -4.09 0.04 0.00 0.01 0.00 0.00 42.46 38.31 1ucp s ILE 39 CO -0.04 -0.08 1.08 -2.16 0.00 0.00 0.00 174.94 173.74 1ucp s PRO 40 N 2.80 2.43 0.13 2.79 0.04 -1.26 -4.70 135.00 137.22 1ucp s PRO 40 Ca 0.33 0.80 -0.20 0.00 0.04 0.00 0.00 61.00 61.96 1ucp s PRO 40 Cb -0.15 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1ucp s PRO 40 CO 0.08 -1.42 1.70 -0.09 0.04 0.00 0.00 177.00 177.32 1ucp h ARG 41 N -0.95 -0.02 -0.67 4.56 2.43 -1.94 -1.64 114.38 116.15 1ucp h ARG 41 Ca -0.46 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.81 1ucp h ARG 41 Cb 1.24 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.73 1ucp h ARG 41 CO 0.58 -0.01 0.31 0.78 -1.51 0.00 0.00 179.97 180.12 1ucp h GLY 42 N -0.02 0.99 0.98 2.80 0.00 -1.93 0.50 103.07 106.39 1ucp h GLY 42 Ca 0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1ucp h GLY 42 CO -0.20 0.04 -0.01 0.00 0.00 0.00 0.00 176.54 176.37 1ucp h ALA 43 N 1.42 -0.02 -0.35 3.60 0.00 -1.82 -1.67 119.26 120.42 1ucp h ALA 43 Ca 0.33 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1ucp h ALA 43 Cb 0.36 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1ucp h ALA 43 CO -0.27 -0.50 0.23 -0.07 0.00 0.00 0.00 179.25 178.64 1ucp h LEU 44 N -0.04 0.25 -0.21 0.00 3.38 -0.47 -0.93 115.31 117.29 1ucp h LEU 44 Ca -0.00 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1ucp h LEU 44 Cb 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ucp h LEU 44 CO 0.00 0.17 -0.42 -0.07 0.09 0.00 0.00 178.44 178.21 1ucp h LEU 45 N 0.29 0.74 -1.44 1.67 4.07 -0.40 -3.11 115.31 117.12 1ucp h LEU 45 Ca 0.15 -0.55 -0.05 0.00 0.08 0.00 0.00 57.88 57.51 1ucp h LEU 45 Cb 0.22 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 1ucp h LEU 45 CO -0.03 1.15 -0.20 0.77 -1.08 0.00 0.00 178.44 179.05 1ucp h SER 46 N 0.35 0.11 -4.17 -0.43 4.64 -0.46 -3.43 113.55 110.16 1ucp h SER 46 Ca 0.01 -0.02 -0.47 0.00 -0.47 0.00 0.00 61.79 60.83 1ucp h SER 46 Cb 1.03 -0.03 0.03 0.00 -0.31 0.00 0.00 62.40 63.12 1ucp h SER 46 CO 0.09 0.32 0.37 -0.04 -0.87 0.00 0.00 176.83 176.71 1ucp s MET 47 N -4.59 3.76 0.00 4.77 -1.94 -0.44 -5.09 119.30 115.78 1ucp s MET 47 Ca -0.04 1.10 0.00 0.00 -1.71 0.00 0.00 55.69 55.03 1ucp s MET 47 Cb 0.15 -2.10 0.00 0.00 2.01 0.00 0.00 34.83 34.89 1ucp s MET 47 CO 0.72 -0.44 0.00 -0.40 -0.01 0.00 0.00 175.02 174.89 1ucp n ASP 48 N -1.57 0.93 -0.01 3.03 5.68 -1.26 -4.89 116.55 118.46 1ucp n ASP 48 Ca 0.08 -0.35 -0.12 0.00 -0.50 0.00 0.00 54.79 53.89 1ucp n ASP 48 Cb 0.53 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.44 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 0.21 0.09 -0.14 2.12 0.00 -1.95 -1.13 119.26 118.46 1ucp h ALA 49 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1ucp h ALA 49 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ucp h ALA 49 CO 0.00 -0.28 -0.27 1.25 0.00 0.00 0.00 179.25 179.95 1ucp h LEU 50 N -0.13 0.49 -0.37 0.00 6.46 -1.97 0.07 115.31 119.86 1ucp h LEU 50 Ca 0.02 -0.55 0.05 0.00 -0.12 0.00 0.00 57.88 57.28 1ucp h LEU 50 Cb 0.27 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.01 1ucp h LEU 50 CO 0.00 0.94 0.11 0.44 -0.62 0.00 0.00 178.44 179.31 1ucp h ASP 51 N 0.05 0.08 0.34 1.25 3.32 -1.96 -1.35 116.42 118.14 1ucp h ASP 51 Ca 0.01 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1ucp h ASP 51 Cb 0.86 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1ucp h ASP 51 CO 0.06 0.08 -0.16 0.25 -1.72 0.00 0.00 179.24 177.75 1ucp h LEU 52 N 0.25 -0.38 -0.46 1.55 6.46 -1.14 -1.58 115.31 120.01 1ucp h LEU 52 Ca 0.17 -0.04 0.09 0.00 -0.12 0.00 0.00 57.88 57.99 1ucp h LEU 52 Cb 0.18 0.10 -0.10 0.00 -0.73 0.00 0.00 40.66 40.11 1ucp h LEU 52 CO -0.20 -0.21 -0.35 0.74 -0.62 0.00 0.00 178.44 177.80 1ucp h THR 53 N -0.53 0.19 -0.10 1.05 2.02 -0.32 0.48 112.91 115.70 1ucp h THR 53 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1ucp h THR 53 Cb 0.39 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1ucp h THR 53 CO 0.08 0.00 0.06 0.44 0.37 0.00 0.00 175.52 176.47 1ucp h ASP 54 N -0.23 0.11 0.37 4.18 3.32 -1.30 -1.56 116.42 121.31 1ucp h ASP 54 Ca 0.19 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1ucp h ASP 54 Cb 0.55 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1ucp h ASP 54 CO -0.59 0.08 -0.18 0.50 -1.72 0.00 0.00 179.24 177.33 1ucp h LYS 55 N 0.13 -0.48 -0.11 3.56 3.64 -0.17 0.44 116.57 123.58 1ucp h LYS 55 Ca 0.04 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1ucp h LYS 55 Cb -0.01 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1ucp h LYS 55 CO -0.01 -0.24 0.09 1.25 -2.27 0.00 0.00 179.45 178.27 1ucp h LEU 56 N -0.65 0.00 0.00 5.20 7.12 -0.12 0.25 115.31 127.12 1ucp h LEU 56 Ca -0.05 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.95 1ucp h LEU 56 Cb 0.47 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.60 1ucp h LEU 56 CO 0.08 0.00 -0.07 0.58 -0.13 0.00 0.00 178.44 178.90 1ucp h VAL 57 N 0.00 0.26 -0.08 1.05 2.07 -1.05 -3.31 116.25 115.19 1ucp h VAL 57 Ca 0.05 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 1ucp h VAL 57 Cb 0.23 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1ucp h VAL 57 CO -0.00 0.09 -0.27 -1.28 0.02 0.00 0.00 177.57 176.13 1ucp h SER 58 N -1.00 0.15 1.09 0.57 0.87 -0.50 -0.82 113.55 113.91 1ucp h SER 58 Ca -0.01 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1ucp h SER 58 Cb 0.21 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1ucp h SER 58 CO -0.00 0.42 0.00 0.33 -0.53 0.00 0.00 176.83 177.05 1ucp n PHE 59 N -4.17 0.73 0.00 2.24 7.35 0.85 -4.66 117.46 119.80 1ucp n PHE 59 Ca -0.01 0.24 0.00 0.00 -0.76 0.00 0.00 57.45 56.92 1ucp n PHE 59 Cb 0.35 -0.89 0.00 0.00 0.35 0.00 0.00 39.48 39.29 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 -2.12 0.00 -3.50 -5.13 4.01 -0.80 -4.39 117.16 105.22 1ucp n TYR 60 Ca 0.04 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.65 1ucp n TYR 60 Cb 0.33 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.32 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 -0.33 0.57 7.72 2.01 -0.38 -5.00 118.68 123.27 1ucp s LEU 61 Ca 0.00 0.12 0.26 0.00 0.01 0.00 0.00 54.13 54.52 1ucp s LEU 61 Cb 0.00 2.37 1.61 0.00 0.01 0.00 0.00 46.19 50.18 1ucp s LEU 61 CO 0.00 -0.83 2.16 -0.33 1.01 0.00 0.00 176.35 178.36 1ucp h GLU 62 N 2.42 0.00 0.01 1.70 3.07 -1.94 -1.77 114.58 118.07 1ucp h GLU 62 Ca -0.32 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.22 1ucp h GLU 62 Cb 1.25 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.12 1ucp h GLU 62 CO 0.40 0.00 -1.75 2.41 -1.40 0.00 0.00 179.01 178.67 1ucp n THR 63 N -4.04 1.56 -0.20 1.13 -1.04 -1.26 -4.22 114.28 106.21 1ucp n THR 63 Ca -0.01 -0.22 0.09 0.00 -2.04 0.00 0.00 64.05 61.88 1ucp n THR 63 Cb 0.20 -1.94 0.39 0.00 -1.82 0.00 0.00 70.33 67.16 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 -0.84 0.73 -0.95 -1.42 3.20 -1.88 -2.14 116.97 113.67 1ucp h TYR 64 Ca -0.47 0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.54 1ucp h TYR 64 Cb 1.50 -0.24 -0.08 0.00 1.54 0.00 0.00 36.73 39.46 1ucp h TYR 64 CO 0.04 0.34 0.60 0.78 -1.64 0.00 0.00 178.16 178.28 1ucp h GLY 65 N 0.68 1.44 1.58 1.82 0.00 -1.51 -0.07 103.07 107.02 1ucp h GLY 65 Ca 0.36 -0.38 -0.18 0.00 0.00 0.00 0.00 47.33 47.13 1ucp h GLY 65 CO -0.13 0.16 -0.70 0.00 0.00 0.00 0.00 176.54 175.86 1ucp h ALA 66 N 1.56 0.62 0.50 3.60 0.00 -1.64 -1.36 119.26 122.55 1ucp h ALA 66 Ca 0.46 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1ucp h ALA 66 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ucp h ALA 66 CO -0.23 0.75 -0.24 1.49 0.00 0.00 0.00 179.25 181.02 1ucp h GLU 67 N 0.29 -0.65 -0.30 0.00 4.22 -1.26 -1.29 114.58 115.58 1ucp h GLU 67 Ca -0.02 0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.52 1ucp h GLU 67 Cb 1.27 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.58 1ucp h GLU 67 CO 0.12 -0.41 -0.43 1.25 -2.18 0.00 0.00 179.01 177.36 1ucp h LEU 68 N -0.73 -1.39 0.08 1.64 6.46 -0.99 0.21 115.31 120.59 1ucp h LEU 68 Ca -0.07 0.20 0.02 0.00 -0.12 0.00 0.00 57.88 57.92 1ucp h LEU 68 Cb 0.54 0.59 -0.05 0.00 -0.73 0.00 0.00 40.66 41.02 1ucp h LEU 68 CO 0.11 -0.39 -0.38 0.74 -0.62 0.00 0.00 178.44 177.91 1ucp h THR 69 N -0.39 0.22 -0.41 1.05 2.02 -1.18 -0.43 112.91 113.80 1ucp h THR 69 Ca 0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.31 1ucp h THR 69 Cb 0.60 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1ucp h THR 69 CO -0.51 0.00 0.27 0.00 0.37 0.00 0.00 175.52 175.65 1ucp h ALA 70 N -0.01 1.79 0.31 6.16 0.00 -0.55 -1.00 119.26 125.96 1ucp h ALA 70 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ucp h ALA 70 Cb 0.63 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ucp h ALA 70 CO -0.25 0.18 -0.15 -0.97 0.00 0.00 0.00 179.25 178.06 1ucp h ASN 71 N 0.48 -0.35 -0.99 0.00 -0.73 0.47 0.12 115.58 114.59 1ucp h ASN 71 Ca 0.16 -0.17 0.01 0.00 1.87 0.00 0.00 56.30 58.16 1ucp h ASN 71 Cb 0.04 0.09 -0.05 0.00 0.27 0.00 0.00 38.32 38.68 1ucp h ASN 71 CO -0.04 0.02 0.65 0.58 -0.37 0.00 0.00 177.43 178.27 1ucp h VAL 72 N -0.76 1.26 -0.54 2.57 2.07 -1.01 -1.19 116.25 118.64 1ucp h VAL 72 Ca -0.04 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1ucp h VAL 72 Cb 0.50 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1ucp h VAL 72 CO 0.07 0.25 0.19 -0.07 0.02 0.00 0.00 177.57 178.03 1ucp h LEU 73 N 1.35 0.77 -1.06 2.57 3.38 -1.06 -1.44 115.31 119.83 1ucp h LEU 73 Ca 0.36 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1ucp h LEU 73 Cb -0.14 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.35 1ucp h LEU 73 CO -0.08 0.76 0.64 -0.09 0.09 0.00 0.00 178.44 179.76 1ucp h ARG 74 N 0.75 1.23 -0.76 1.13 2.43 -0.28 -1.34 114.38 117.53 1ucp h ARG 74 Ca 0.18 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1ucp h ARG 74 Cb 0.24 -0.28 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 1ucp h ARG 74 CO -0.01 0.81 0.49 0.22 -1.51 0.00 0.00 179.97 179.97 1ucp h ASP 75 N 1.26 0.83 0.11 -3.80 1.82 -0.72 -1.06 116.42 114.86 1ucp h ASP 75 Ca 0.37 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.00 1ucp h ASP 75 Cb -0.07 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.75 1ucp h ASP 75 CO -0.10 0.58 0.00 0.24 -1.61 0.00 0.00 179.24 178.35 1ucp h MET 76 N 0.98 0.00 0.00 0.28 2.86 -0.19 -3.45 114.93 115.40 1ucp h MET 76 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1ucp h MET 76 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1ucp h MET 76 CO -0.09 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.29 1ucp n GLY 77 N -1.00 0.80 3.69 8.32 0.00 -0.40 -5.08 105.19 111.52 1ucp n GLY 77 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 4.26 0.00 0.99 0.20 -0.88 -4.92 118.68 118.32 1ucp s LEU 78 Ca 0.00 1.40 0.00 0.00 0.69 0.00 0.00 54.13 56.22 1ucp s LEU 78 Cb 0.00 -3.40 0.00 0.00 -0.43 0.00 0.00 46.19 42.36 1ucp s LEU 78 CO 0.00 -0.36 0.00 0.00 -0.29 0.00 0.00 176.35 175.70 1ucp n GLN 79 N 4.72 1.74 0.16 1.98 -0.00 -1.26 -3.28 117.38 121.44 1ucp n GLN 79 Ca 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 57.00 56.99 1ucp n GLN 79 Cb 0.49 -0.93 -0.03 0.00 -0.00 0.00 0.00 30.24 29.77 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 -0.39 -0.53 2.61 9.09 -1.99 -0.87 114.58 122.49 1ucp h GLU 80 Ca 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.42 1ucp h GLU 80 Cb 0.30 0.09 -0.03 0.00 -1.65 0.00 0.00 28.75 27.47 1ucp h GLU 80 CO 0.00 -0.26 0.27 1.98 0.05 0.00 0.00 179.01 181.05 1ucp h MET 81 N -0.52 0.73 -0.58 1.06 -1.53 -1.98 -1.67 114.93 110.43 1ucp h MET 81 Ca -0.04 -0.08 0.06 0.00 -3.44 0.00 0.00 59.70 56.20 1ucp h MET 81 Cb 0.31 -0.15 -0.05 0.00 -0.55 0.00 0.00 31.60 31.16 1ucp h MET 81 CO 0.07 0.55 0.30 0.00 0.14 0.00 0.00 176.91 177.96 1ucp h ALA 82 N 1.57 0.76 0.22 0.39 0.00 -1.79 0.32 119.26 120.74 1ucp h ALA 82 Ca 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ucp h ALA 82 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ucp h ALA 82 CO -0.03 -0.05 -0.11 0.78 0.00 0.00 0.00 179.25 179.84 1ucp h GLY 83 N 0.55 -0.31 0.99 0.00 0.00 -0.41 -1.61 103.07 102.29 1ucp h GLY 83 Ca 0.27 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 1ucp h GLY 83 CO -0.19 -0.11 0.28 1.46 0.00 0.00 0.00 176.54 177.98 1ucp h GLN 84 N -0.35 0.89 -0.13 4.80 1.08 -0.99 -1.00 115.11 119.42 1ucp h GLN 84 Ca -0.03 -0.14 0.01 0.00 -1.45 0.00 0.00 58.65 57.04 1ucp h GLN 84 Cb 0.27 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1ucp h GLN 84 CO 0.05 0.73 0.05 1.25 -0.95 0.00 0.00 178.83 179.96 1ucp h LEU 85 N 0.84 0.07 -0.44 1.46 5.85 -0.35 0.22 115.31 122.96 1ucp h LEU 85 Ca 0.21 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1ucp h LEU 85 Cb 0.14 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1ucp h LEU 85 CO -0.02 0.06 0.27 -0.61 -0.34 0.00 0.00 178.44 177.80 1ucp h GLN 86 N 0.12 0.59 -0.51 1.25 4.15 -1.22 -1.72 115.11 117.77 1ucp h GLN 86 Ca 0.05 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 1ucp h GLN 86 Cb 0.02 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1ucp h GLN 86 CO -0.05 0.42 0.12 0.00 -1.93 0.00 0.00 178.83 177.38 1ucp h ALA 87 N 1.14 0.67 -0.54 3.38 0.00 -0.63 -1.33 119.26 121.95 1ucp h ALA 87 Ca 0.16 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1ucp h ALA 87 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1ucp h ALA 87 CO -0.03 0.37 0.09 0.00 0.00 0.00 0.00 179.25 179.68 1ucp h ALA 88 N 0.99 0.71 0.00 0.00 0.00 -0.49 -2.46 119.26 118.01 1ucp h ALA 88 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ucp h ALA 88 Cb 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ucp h ALA 88 CO 0.00 0.45 0.00 2.41 0.00 0.00 0.00 179.25 182.11 1ucp n THR 89 N -4.38 0.20 -2.21 0.00 -1.04 -0.66 -4.30 114.28 101.90 1ucp n THR 89 Ca 0.02 0.05 -0.43 0.00 -2.04 0.00 0.00 64.05 61.65 1ucp n THR 89 Cb 0.26 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 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 -1.39 4.05 1.43 -1.42 -0.00 -0.51 -4.81 115.22 112.56 1ucp n HIS 90 Ca 0.09 -2.93 0.11 0.00 -0.00 0.00 0.00 57.72 54.99 1ucp n HIS 90 Cb 0.25 -2.52 0.68 0.00 -0.00 0.00 0.00 29.99 28.41 1ucp n HIS 90 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28