#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 0.43 0.42 -5.12 0.00 -1.26 -3.82 105.19 95.84 1ucp n GLY 2 Ca 0.00 -0.78 0.23 0.00 0.00 0.00 0.00 46.02 45.47 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 0.33 1.61 3.08 -1.90 0.89 114.38 118.39 1ucp h ARG 3 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1ucp h ARG 3 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1ucp h ARG 3 CO 0.00 0.00 -0.16 0.00 -1.07 0.00 0.00 179.97 178.74 1ucp h ALA 4 N 1.36 -0.44 -0.14 0.04 0.00 -1.80 0.24 119.26 118.52 1ucp h ALA 4 Ca 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ucp h ALA 4 Cb 1.43 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1ucp h ALA 4 CO -0.00 -0.73 0.04 0.00 0.00 0.00 0.00 179.25 178.56 1ucp h ARG 5 N -0.47 0.22 -0.65 0.00 3.08 -1.10 -1.75 114.38 113.71 1ucp h ARG 5 Ca -0.04 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.98 1ucp h ARG 5 Cb 0.35 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1ucp h ARG 5 CO 0.07 0.35 0.42 -0.44 -1.07 0.00 0.00 179.97 179.30 1ucp h ASP 6 N 0.05 0.70 -0.38 7.04 5.19 -1.29 -0.37 116.42 127.36 1ucp h ASP 6 Ca 0.05 -0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.32 1ucp h ASP 6 Cb 0.22 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1ucp h ASP 6 CO -0.00 0.49 -0.28 0.00 -3.12 0.00 0.00 179.24 176.33 1ucp h ALA 7 N 1.27 0.55 0.28 3.45 0.00 -0.84 0.44 119.26 124.41 1ucp h ALA 7 Ca 0.25 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ucp h ALA 7 Cb -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ucp h ALA 7 CO -0.09 0.57 -0.14 0.82 0.00 0.00 0.00 179.25 180.42 1ucp h ILE 8 N 0.67 0.72 -0.15 0.00 2.04 -0.99 -1.02 117.51 118.77 1ucp h ILE 8 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 1ucp h ILE 8 Cb 0.86 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 37.60 1ucp h ILE 8 CO 0.08 0.00 -0.34 0.25 0.00 0.00 0.00 178.15 178.14 1ucp h LEU 9 N -0.38 -1.06 -0.66 1.44 7.12 -0.90 -0.26 115.31 120.60 1ucp h LEU 9 Ca -0.04 0.15 0.04 0.00 0.13 0.00 0.00 57.88 58.17 1ucp h LEU 9 Cb 0.29 0.45 -0.05 0.00 -0.53 0.00 0.00 40.66 40.82 1ucp h LEU 9 CO 0.06 -0.37 0.40 0.44 -0.13 0.00 0.00 178.44 178.84 1ucp h ASP 10 N -0.40 0.63 -0.49 1.25 3.32 -0.87 -0.96 116.42 118.90 1ucp h ASP 10 Ca 0.10 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1ucp h ASP 10 Cb 0.56 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1ucp h ASP 10 CO -0.38 0.43 0.12 0.00 -1.72 0.00 0.00 179.24 177.69 1ucp h ALA 11 N 1.31 0.65 -0.28 3.45 0.00 -0.21 -0.43 119.26 123.74 1ucp h ALA 11 Ca 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ucp h ALA 11 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ucp h ALA 11 CO -0.13 0.34 0.15 -0.07 0.00 0.00 0.00 179.25 179.53 1ucp h LEU 12 N 0.67 0.36 -0.75 0.00 -0.00 -0.63 -2.46 115.31 112.51 1ucp h LEU 12 Ca 0.15 -0.10 0.07 0.00 -0.00 0.00 0.00 57.88 58.00 1ucp h LEU 12 Cb 0.33 -0.09 -0.06 0.00 -0.00 0.00 0.00 40.66 40.84 1ucp h LEU 12 CO 0.00 0.36 0.43 -0.33 -0.00 0.00 0.00 178.44 178.90 1ucp h GLU 13 N 0.33 0.75 0.00 1.13 4.39 -1.03 -1.86 114.58 118.30 1ucp h GLU 13 Ca 0.10 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1ucp h GLU 13 Cb 0.09 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1ucp h GLU 13 CO -0.01 0.50 0.00 0.09 -1.16 0.00 0.00 179.01 178.42 1ucp n ASN 14 N -4.74 0.26 -4.89 1.42 3.02 -0.19 -4.78 115.26 105.36 1ucp n ASN 14 Ca 0.11 0.56 -0.29 0.00 -0.03 0.00 0.00 54.58 54.93 1ucp n ASN 14 Cb 0.20 -0.62 0.01 0.00 -0.61 0.00 0.00 39.78 38.77 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 -3.57 3.34 0.46 3.41 1.43 -0.70 -5.07 118.68 117.98 1ucp s LEU 15 Ca 0.07 1.12 0.07 0.00 -1.03 0.00 0.00 54.13 54.36 1ucp s LEU 15 Cb 0.10 -4.08 0.02 0.00 0.03 0.00 0.00 46.19 42.27 1ucp s LEU 15 CO 0.34 -0.83 0.63 0.42 0.23 0.00 0.00 176.35 177.13 1ucp s THR 16 N -3.01 2.85 0.54 5.49 -4.23 -1.26 -4.90 115.64 111.11 1ucp s THR 16 Ca 0.52 -0.95 0.33 0.00 -1.18 0.00 0.00 61.69 60.41 1ucp s THR 16 Cb -0.11 -2.89 0.36 0.00 1.34 0.00 0.00 72.50 71.20 1ucp s THR 16 CO 0.49 0.00 2.22 0.00 -0.54 0.00 0.00 174.62 176.79 1ucp h ALA 17 N 0.50 1.32 -0.01 3.99 0.00 -1.97 0.33 119.26 123.42 1ucp h ALA 17 Ca -0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1ucp h ALA 17 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ucp h ALA 17 CO 0.45 0.04 -0.07 1.49 0.00 0.00 0.00 179.25 181.16 1ucp h GLU 18 N 0.00 0.07 -0.58 0.00 4.57 -1.99 -0.66 114.58 116.00 1ucp h GLU 18 Ca -0.00 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 1ucp h GLU 18 Cb 0.12 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1ucp h GLU 18 CO 0.00 0.75 0.11 0.93 -1.18 0.00 0.00 179.01 179.62 1ucp h GLU 19 N -0.59 0.95 -0.49 1.92 4.39 -1.84 -2.03 114.58 116.89 1ucp h GLU 19 Ca -0.01 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1ucp h GLU 19 Cb 0.76 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1ucp h GLU 19 CO 0.01 0.89 0.25 -0.07 -1.16 0.00 0.00 179.01 178.94 1ucp h LEU 20 N 0.85 0.60 0.76 1.33 3.38 -0.39 0.28 115.31 122.12 1ucp h LEU 20 Ca 0.18 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1ucp h LEU 20 Cb 0.39 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.00 1ucp h LEU 20 CO 0.01 0.50 -0.37 0.50 0.09 0.00 0.00 178.44 179.17 1ucp h LYS 21 N 0.68 -0.99 -0.69 1.13 3.64 -0.64 0.26 116.57 119.96 1ucp h LYS 21 Ca 0.17 0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 1ucp h LYS 21 Cb 0.05 0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 1ucp h LYS 21 CO -0.03 -0.66 0.41 0.87 -2.27 0.00 0.00 179.45 177.77 1ucp h LYS 22 N -1.03 0.75 0.23 1.90 1.57 -0.82 -1.37 116.57 117.79 1ucp h LYS 22 Ca -0.10 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1ucp h LYS 22 Cb 0.79 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1ucp h LYS 22 CO 0.17 0.50 -0.29 0.35 -0.57 0.00 0.00 179.45 179.60 1ucp h PHE 23 N 0.77 -0.79 0.00 -1.35 3.57 -0.35 0.18 116.94 118.98 1ucp h PHE 23 Ca 0.29 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.77 1ucp h PHE 23 Cb 0.11 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1ucp h PHE 23 CO -0.06 -0.41 -0.15 0.87 -2.23 0.00 0.00 178.31 176.33 1ucp h LYS 24 N -0.58 0.00 0.08 1.11 1.57 -0.57 0.71 116.57 118.90 1ucp h LYS 24 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1ucp h LYS 24 Cb 0.55 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.88 1ucp h LYS 24 CO -0.10 0.15 -0.53 -0.07 -0.57 0.00 0.00 179.45 178.34 1ucp h LEU 25 N 0.00 0.28 -1.06 2.94 3.38 -0.98 -3.33 115.31 116.54 1ucp h LEU 25 Ca -0.00 -0.96 0.11 0.00 0.09 0.00 0.00 57.88 57.12 1ucp h LEU 25 Cb 0.31 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 1ucp h LEU 25 CO 0.02 1.25 0.62 0.11 0.09 0.00 0.00 178.44 180.53 1ucp h LYS 26 N -0.62 0.96 -0.18 1.13 1.79 -0.16 0.71 116.57 120.20 1ucp h LYS 26 Ca -0.10 -0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.37 1ucp h LYS 26 Cb 1.39 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 1ucp h LYS 26 CO 0.09 0.63 0.25 -0.07 -1.08 0.00 0.00 179.45 179.26 1ucp h LEU 27 N 0.99 0.00 -4.47 2.94 3.38 -0.98 -0.53 115.31 116.63 1ucp h LEU 27 Ca 0.47 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.97 1ucp h LEU 27 Cb 0.45 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.78 1ucp h LEU 27 CO -0.24 0.00 -0.91 -0.11 0.09 0.00 0.00 178.44 177.27 1ucp n LEU 28 N -3.59 3.69 0.05 1.67 0.00 0.17 -4.72 117.00 114.27 1ucp n LEU 28 Ca 0.02 -4.37 0.00 0.00 0.00 0.00 0.00 56.01 51.66 1ucp n LEU 28 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 43.42 43.69 1ucp n LEU 28 CO 0.25 1.84 -0.09 -0.24 0.00 0.00 0.00 177.39 179.15 1ucp n SER 29 N -0.54 0.76 -4.67 1.96 2.88 -0.23 -4.98 113.62 108.79 1ucp n SER 29 Ca 0.30 0.15 -0.42 0.00 -1.33 0.00 0.00 58.87 57.56 1ucp n SER 29 Cb 0.83 -0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 64.07 1ucp n SER 29 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ucp s VAL 30 N -2.00 3.81 -0.38 2.46 0.11 -1.06 -4.96 120.40 118.38 1ucp s VAL 30 Ca 0.00 1.07 -0.29 0.00 -2.93 0.00 0.00 61.98 59.83 1ucp s VAL 30 Cb 0.00 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.16 1ucp s VAL 30 CO 0.00 -0.06 1.47 -2.16 -3.33 0.00 0.00 175.10 171.02 1ucp s PRO 31 N 3.29 3.57 0.72 1.54 0.04 -1.26 -4.95 135.00 137.95 1ucp s PRO 31 Ca 0.65 1.07 -0.09 0.00 0.04 0.00 0.00 61.00 62.67 1ucp s PRO 31 Cb -0.30 -4.04 0.05 0.00 0.04 0.00 0.00 34.50 30.26 1ucp s PRO 31 CO 0.24 -1.57 1.06 -1.17 0.04 0.00 0.00 177.00 175.60 1ucp s LEU 32 N 5.57 2.79 1.01 -3.56 2.96 -1.26 -5.07 118.68 121.13 1ucp s LEU 32 Ca 0.64 0.66 -0.15 0.00 -0.22 0.00 0.00 54.13 55.06 1ucp s LEU 32 Cb -0.16 -3.31 0.20 0.00 0.50 0.00 0.00 46.19 43.42 1ucp s LEU 32 CO 0.32 -1.59 1.17 -0.13 -1.32 0.00 0.00 176.35 174.80 1ucp s ARG 33 N -5.32 0.29 0.65 1.98 0.52 -1.26 -5.08 118.95 110.74 1ucp s ARG 33 Ca 0.60 0.05 -0.08 0.00 -0.52 0.00 0.00 55.73 55.77 1ucp s ARG 33 Cb -0.11 -1.76 0.02 0.00 0.52 0.00 0.00 34.95 33.62 1ucp s ARG 33 CO 0.47 -2.72 0.99 -2.00 0.02 0.00 0.00 175.30 172.06 1ucp s GLU 34 N -5.43 2.75 0.00 3.54 2.12 -1.26 -4.09 118.70 116.33 1ucp s GLU 34 Ca 0.68 0.12 0.00 0.00 0.36 0.00 0.00 54.97 56.13 1ucp s GLU 34 Cb -0.11 -2.16 0.00 0.00 0.26 0.00 0.00 34.13 32.12 1ucp s GLU 34 CO 0.54 -0.93 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 1ucp n GLY 35 N -2.81 0.85 3.07 -1.50 0.00 -1.26 -4.99 105.19 98.56 1ucp n GLY 35 Ca 0.06 0.00 -0.11 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 -3.42 -0.01 0.93 1.61 2.02 -1.26 -5.02 117.35 112.19 1ucp s TYR 36 Ca 0.00 0.02 -0.15 0.00 -0.37 0.00 0.00 57.07 56.57 1ucp s TYR 36 Cb 0.00 -0.02 0.21 0.00 -0.40 0.00 0.00 41.96 41.75 1ucp s TYR 36 CO 0.00 -0.21 1.26 0.41 -1.57 0.00 0.00 175.55 175.44 1ucp n GLY 37 N 2.00 -1.35 2.61 0.71 0.00 -1.25 -4.86 105.19 103.05 1ucp n GLY 37 Ca -0.19 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 43.84 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 -5.74 0.08 -0.16 1.61 0.52 -1.26 -4.96 118.95 109.03 1ucp s ARG 38 Ca 0.72 -0.10 -0.27 0.00 -0.52 0.00 0.00 55.73 55.56 1ucp s ARG 38 Cb -0.02 -1.82 -0.01 0.00 0.52 0.00 0.00 34.95 33.62 1ucp s ARG 38 CO 0.50 -0.68 0.89 0.42 0.02 0.00 0.00 175.30 176.46 1ucp s ILE 39 N 2.13 4.84 0.62 1.52 1.01 -1.26 -5.01 121.20 125.05 1ucp s ILE 39 Ca 0.02 1.77 -0.14 0.00 0.00 0.00 0.00 60.65 62.29 1ucp s ILE 39 Cb -0.16 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 1ucp s ILE 39 CO -0.10 -0.00 1.06 -2.16 0.00 0.00 0.00 174.94 173.74 1ucp s PRO 40 N 2.24 3.20 0.13 2.79 0.04 -1.26 -4.60 135.00 137.53 1ucp s PRO 40 Ca 0.41 1.15 -0.25 0.00 0.04 0.00 0.00 61.00 62.36 1ucp s PRO 40 Cb -0.17 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1ucp s PRO 40 CO 0.13 -0.91 1.64 -0.09 0.04 0.00 0.00 177.00 177.82 1ucp h ARG 41 N 0.14 -0.32 -0.72 4.56 2.43 -1.94 -0.64 114.38 117.89 1ucp h ARG 41 Ca -0.46 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.77 1ucp h ARG 41 Cb 1.22 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.79 1ucp h ARG 41 CO 0.57 -0.21 0.44 0.78 -1.51 0.00 0.00 179.97 180.03 1ucp h GLY 42 N -0.33 1.05 0.99 2.80 0.00 -1.94 -0.55 103.07 105.08 1ucp h GLY 42 Ca 0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1ucp h GLY 42 CO -0.24 0.25 0.24 0.00 0.00 0.00 0.00 176.54 176.78 1ucp h ALA 43 N 1.33 0.75 -0.75 3.60 0.00 -1.84 -1.28 119.26 121.07 1ucp h ALA 43 Ca 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ucp h ALA 43 Cb 0.08 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1ucp h ALA 43 CO -0.13 0.36 0.43 -0.07 0.00 0.00 0.00 179.25 179.83 1ucp h LEU 44 N 0.80 0.91 -0.59 0.00 3.38 -0.35 -0.12 115.31 119.34 1ucp h LEU 44 Ca 0.19 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1ucp h LEU 44 Cb 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1ucp h LEU 44 CO -0.02 0.71 -0.33 -0.07 0.09 0.00 0.00 178.44 178.83 1ucp h LEU 45 N 1.04 0.80 -1.40 1.67 4.07 -0.59 -2.81 115.31 118.08 1ucp h LEU 45 Ca 0.27 -0.33 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1ucp h LEU 45 Cb -0.01 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.51 1ucp h LEU 45 CO -0.05 1.06 -0.07 0.77 -1.08 0.00 0.00 178.44 179.07 1ucp h SER 46 N 0.64 0.00 -3.60 -0.43 4.64 -0.72 -3.44 113.55 110.64 1ucp h SER 46 Ca 0.07 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.92 1ucp h SER 46 Cb 0.86 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.01 1ucp h SER 46 CO 0.08 0.07 0.17 -0.04 -0.87 0.00 0.00 176.83 176.23 1ucp s MET 47 N -3.69 2.80 0.00 4.77 -1.94 -0.10 -5.09 119.30 116.04 1ucp s MET 47 Ca 0.01 -0.08 0.00 0.00 -1.71 0.00 0.00 55.69 53.90 1ucp s MET 47 Cb 0.09 -2.27 0.00 0.00 2.01 0.00 0.00 34.83 34.66 1ucp s MET 47 CO 0.57 -0.77 0.00 -0.40 -0.01 0.00 0.00 175.02 174.41 1ucp n ASP 48 N -2.61 1.73 -0.13 3.03 5.75 -1.26 -4.90 116.55 118.16 1ucp n ASP 48 Ca 0.05 -0.48 -0.08 0.00 -0.01 0.00 0.00 54.79 54.27 1ucp n ASP 48 Cb 0.58 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.68 1ucp n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ucp h ALA 49 N 1.00 0.52 -0.02 2.12 0.00 -1.94 0.88 119.26 121.81 1ucp h ALA 49 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 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 -0.05 -0.03 1.25 0.00 0.00 0.00 179.25 180.42 1ucp h LEU 50 N 0.53 0.06 -0.64 0.00 5.85 -1.97 0.48 115.31 119.62 1ucp h LEU 50 Ca 0.15 -0.53 0.05 0.00 0.84 0.00 0.00 57.88 58.39 1ucp h LEU 50 Cb -0.04 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1ucp h LEU 50 CO -0.05 0.58 0.36 0.44 -0.34 0.00 0.00 178.44 179.44 1ucp h ASP 51 N -0.46 0.55 0.41 1.25 3.32 -1.96 -2.03 116.42 117.51 1ucp h ASP 51 Ca 0.00 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1ucp h ASP 51 Cb 0.57 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1ucp h ASP 51 CO 0.01 0.36 -0.20 0.25 -1.72 0.00 0.00 179.24 177.94 1ucp h LEU 52 N 0.68 -0.47 -0.42 1.55 5.85 -0.75 -1.12 115.31 120.63 1ucp h LEU 52 Ca 0.28 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.05 1ucp h LEU 52 Cb 0.14 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.20 1ucp h LEU 52 CO -0.16 -0.27 -0.31 0.74 -0.34 0.00 0.00 178.44 178.10 1ucp h THR 53 N -0.64 0.25 -0.30 1.05 2.02 -0.55 0.44 112.91 115.18 1ucp h THR 53 Ca -0.06 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1ucp h THR 53 Cb 0.47 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1ucp h THR 53 CO 0.09 0.00 0.01 0.44 0.37 0.00 0.00 175.52 176.43 1ucp h ASP 54 N -0.23 0.51 0.26 4.18 5.19 -1.39 -1.34 116.42 123.60 1ucp h ASP 54 Ca 0.18 -0.30 -0.01 0.00 -0.62 0.00 0.00 57.03 56.28 1ucp h ASP 54 Cb 0.53 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1ucp h ASP 54 CO -0.55 0.68 -0.13 0.50 -3.12 0.00 0.00 179.24 176.63 1ucp h LYS 55 N 0.32 -0.34 0.00 3.56 3.64 -0.34 0.21 116.57 123.62 1ucp h LYS 55 Ca 0.09 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1ucp h LYS 55 Cb 0.41 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1ucp h LYS 55 CO 0.01 -0.14 -0.09 1.25 -2.27 0.00 0.00 179.45 178.22 1ucp h LEU 56 N -0.48 0.00 0.00 5.20 7.12 -0.14 0.26 115.31 127.28 1ucp h LEU 56 Ca -0.04 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 57.87 1ucp h LEU 56 Cb 0.36 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.47 1ucp h LEU 56 CO 0.06 0.09 -0.54 0.58 -0.13 0.00 0.00 178.44 178.49 1ucp h VAL 57 N 0.00 1.41 -0.01 1.05 2.07 -1.07 -3.31 116.25 116.39 1ucp h VAL 57 Ca -0.00 -2.27 -0.00 0.00 0.82 0.00 0.00 66.70 65.25 1ucp h VAL 57 Cb 0.20 2.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1ucp h VAL 57 CO 0.01 0.48 0.00 -1.28 0.02 0.00 0.00 177.57 176.80 1ucp h SER 58 N -1.00 0.01 0.48 0.57 0.87 -0.47 -0.93 113.55 113.08 1ucp h SER 58 Ca -0.15 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1ucp h SER 58 Cb 1.12 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1ucp h SER 58 CO -0.09 0.06 0.00 0.33 -0.53 0.00 0.00 176.83 176.60 1ucp n PHE 59 N -5.06 0.00 0.00 2.24 7.35 0.87 -4.55 117.46 118.31 1ucp n PHE 59 Ca -0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.62 1ucp n PHE 59 Cb 0.05 -0.31 0.00 0.00 0.35 0.00 0.00 39.48 39.58 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 -1.31 0.00 -3.76 -5.13 4.02 -1.09 -3.91 117.16 105.98 1ucp n TYR 60 Ca 0.10 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.95 1ucp n TYR 60 Cb 0.20 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.50 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 -0.20 0.04 7.72 2.01 -0.37 -4.99 118.68 122.88 1ucp s LEU 61 Ca 0.00 -0.43 -0.30 0.00 0.01 0.00 0.00 54.13 53.41 1ucp s LEU 61 Cb 0.00 2.27 -0.17 0.00 0.01 0.00 0.00 46.19 48.30 1ucp s LEU 61 CO 0.00 -0.98 1.42 -0.33 1.01 0.00 0.00 176.35 177.47 1ucp h GLU 62 N 2.00 -1.04 -0.53 1.70 3.07 -1.90 0.12 114.58 117.99 1ucp h GLU 62 Ca -0.23 0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.58 1ucp h GLU 62 Cb 1.24 0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 29.36 1ucp h GLU 62 CO 0.25 -0.69 -0.13 1.15 -1.40 0.00 0.00 179.01 178.19 1ucp h THR 63 N -1.10 1.27 -0.00 1.13 2.02 -1.97 -0.76 112.91 113.49 1ucp h THR 63 Ca -0.11 -1.30 -0.07 0.00 0.77 0.00 0.00 66.41 65.70 1ucp h THR 63 Cb 0.83 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1ucp h THR 63 CO 0.18 0.46 -0.35 0.22 0.37 0.00 0.00 175.52 176.40 1ucp h TYR 64 N 0.91 0.01 -0.22 3.16 5.03 -1.96 0.55 116.97 124.44 1ucp h TYR 64 Ca 0.13 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.40 1ucp h TYR 64 Cb 0.71 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.98 1ucp h TYR 64 CO 0.05 0.36 -0.03 0.78 -1.32 0.00 0.00 178.16 177.99 1ucp h GLY 65 N 1.06 0.45 1.03 1.82 0.00 0.00 0.12 103.07 107.55 1ucp h GLY 65 Ca -0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1ucp h GLY 65 CO 0.05 0.33 0.22 0.00 0.00 0.00 0.00 176.54 177.14 1ucp h ALA 66 N 0.77 0.89 0.25 3.60 0.00 -0.88 -0.15 119.26 123.74 1ucp h ALA 66 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ucp h ALA 66 Cb 0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ucp h ALA 66 CO 0.02 0.56 -0.26 1.49 0.00 0.00 0.00 179.25 181.06 1ucp h GLU 67 N 0.99 -0.53 0.06 0.00 4.57 -0.79 -0.38 114.58 118.51 1ucp h GLU 67 Ca 0.22 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1ucp h GLU 67 Cb 0.28 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1ucp h GLU 67 CO -0.01 -0.35 -0.20 1.25 -1.18 0.00 0.00 179.01 178.52 1ucp h LEU 68 N -0.55 -0.58 0.07 1.64 6.46 -0.58 0.13 115.31 121.91 1ucp h LEU 68 Ca -0.01 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1ucp h LEU 68 Cb 0.51 0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.62 1ucp h LEU 68 CO -0.06 -0.28 -0.28 0.74 -0.62 0.00 0.00 178.44 177.94 1ucp h THR 69 N -0.36 0.38 -0.73 1.05 2.02 -0.89 -0.14 112.91 114.25 1ucp h THR 69 Ca 0.04 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.29 1ucp h THR 69 Cb 0.40 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1ucp h THR 69 CO -0.14 0.00 0.48 0.00 0.37 0.00 0.00 175.52 176.23 1ucp h ALA 70 N 0.28 1.70 0.38 6.16 0.00 -0.87 -0.81 119.26 126.11 1ucp h ALA 70 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ucp h ALA 70 Cb 0.52 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ucp h ALA 70 CO -0.20 0.18 -0.18 -0.97 0.00 0.00 0.00 179.25 178.08 1ucp h ASN 71 N 0.76 -0.43 -0.53 0.00 -0.00 0.63 0.15 115.58 116.15 1ucp h ASN 71 Ca 0.32 -0.01 0.04 0.00 -0.00 0.00 0.00 56.30 56.65 1ucp h ASN 71 Cb 0.27 0.11 -0.04 0.00 -0.00 0.00 0.00 38.32 38.66 1ucp h ASN 71 CO -0.11 -0.28 0.28 0.58 -0.00 0.00 0.00 177.43 177.90 1ucp h VAL 72 N -0.54 0.98 0.28 2.57 2.07 -0.67 0.77 116.25 121.70 1ucp h VAL 72 Ca -0.05 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1ucp h VAL 72 Cb 0.41 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1ucp h VAL 72 CO 0.09 0.10 -0.14 -0.07 0.02 0.00 0.00 177.57 177.57 1ucp h LEU 73 N 0.55 -0.32 -1.75 2.57 3.38 -0.96 -0.71 115.31 118.07 1ucp h LEU 73 Ca 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1ucp h LEU 73 Cb 0.11 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1ucp h LEU 73 CO -0.14 -0.20 0.02 -0.09 0.09 0.00 0.00 178.44 178.11 1ucp h ARG 74 N -0.42 0.17 -0.45 1.13 1.12 -0.56 0.24 114.38 115.62 1ucp h ARG 74 Ca -0.04 -0.02 -0.08 0.00 -1.11 0.00 0.00 59.98 58.74 1ucp h ARG 74 Cb 0.32 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.22 1ucp h ARG 74 CO 0.06 0.17 -0.03 0.22 -3.11 0.00 0.00 179.97 177.29 1ucp h ASP 75 N 0.17 0.72 0.25 -3.80 3.58 -0.24 -0.76 116.42 116.35 1ucp h ASP 75 Ca 0.04 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.31 1ucp h ASP 75 Cb 0.09 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1ucp h ASP 75 CO -0.00 0.81 0.00 0.23 -2.88 0.00 0.00 179.24 177.40 1ucp n MET 76 N -4.21 0.33 -0.37 0.28 2.81 -0.31 -4.84 117.12 110.81 1ucp n MET 76 Ca 0.02 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1ucp n MET 76 Cb 0.31 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 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 0.20 1.17 2.59 3.03 0.00 -0.29 -4.98 105.19 106.91 1ucp n GLY 77 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 7.56 0.17 0.99 0.00 -0.08 -4.73 117.00 120.91 1ucp n LEU 78 Ca 0.00 -4.38 0.03 0.00 0.00 0.00 0.00 56.01 51.66 1ucp n LEU 78 Cb 0.00 -1.56 0.27 0.00 0.00 0.00 0.00 43.42 42.12 1ucp n LEU 78 CO 0.00 1.56 0.61 0.06 0.00 0.00 0.00 177.39 179.62 1ucp h GLN 79 N 5.48 0.00 0.06 1.96 -0.00 -1.84 -3.14 115.11 117.63 1ucp h GLN 79 Ca 0.65 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 59.30 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 1.77 0.47 -0.03 1.05 -0.00 0.00 0.00 178.83 182.09 1ucp h GLU 80 N 0.00 -0.07 -0.32 0.06 4.11 -1.96 -1.38 114.58 115.03 1ucp h GLU 80 Ca -0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 1ucp h GLU 80 Cb 0.98 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1ucp h GLU 80 CO 0.06 0.07 0.20 1.98 0.07 0.00 0.00 179.01 181.39 1ucp h MET 81 N -0.20 0.40 -0.94 1.06 4.05 -1.98 -0.41 114.93 116.91 1ucp h MET 81 Ca -0.01 -0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.52 1ucp h MET 81 Cb 0.18 -0.09 -0.09 0.00 -0.80 0.00 0.00 31.60 30.80 1ucp h MET 81 CO 0.01 0.27 0.56 0.00 0.23 0.00 0.00 176.91 177.97 1ucp h ALA 82 N 1.12 1.44 0.17 0.39 0.00 -1.44 0.31 119.26 121.25 1ucp h ALA 82 Ca 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ucp h ALA 82 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ucp h ALA 82 CO -0.04 0.08 -0.08 0.78 0.00 0.00 0.00 179.25 179.99 1ucp h GLY 83 N 0.83 -0.24 0.43 0.00 0.00 -0.83 -2.00 103.07 101.25 1ucp h GLY 83 Ca 0.49 0.09 0.11 0.00 0.00 0.00 0.00 47.33 48.01 1ucp h GLY 83 CO -0.31 -0.09 0.41 1.46 0.00 0.00 0.00 176.54 178.01 1ucp h GLN 84 N -0.74 0.64 0.16 4.80 1.08 -0.54 -0.83 115.11 119.68 1ucp h GLN 84 Ca -0.02 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1ucp h GLN 84 Cb 0.51 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1ucp h GLN 84 CO 0.04 0.43 -0.08 1.25 -0.95 0.00 0.00 178.83 179.52 1ucp h LEU 85 N 0.66 -0.19 0.18 1.46 5.85 -0.46 0.14 115.31 122.96 1ucp h LEU 85 Ca 0.39 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1ucp h LEU 85 Cb 0.43 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1ucp h LEU 85 CO -0.29 0.05 -0.09 -0.61 -0.34 0.00 0.00 178.44 177.17 1ucp h GLN 86 N -0.42 -0.24 -0.56 1.25 4.15 -0.98 -1.12 115.11 117.19 1ucp h GLN 86 Ca -0.02 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1ucp h GLN 86 Cb 0.33 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 1ucp h GLN 86 CO 0.04 -0.14 0.31 0.00 -1.93 0.00 0.00 178.83 177.11 1ucp h ALA 87 N 0.54 1.49 -0.49 3.38 0.00 -1.13 0.12 119.26 123.17 1ucp h ALA 87 Ca -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ucp h ALA 87 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ucp h ALA 87 CO 0.04 0.42 0.23 0.00 0.00 0.00 0.00 179.25 179.95 1ucp h ALA 88 N 1.57 0.64 -0.27 0.00 0.00 -0.56 -2.18 119.26 118.46 1ucp h ALA 88 Ca 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ucp h ALA 88 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ucp h ALA 88 CO -0.03 0.20 0.09 1.15 0.00 0.00 0.00 179.25 180.66 1ucp h THR 89 N 0.65 1.19 -1.09 0.00 2.02 -0.01 -3.44 112.91 112.22 1ucp h THR 89 Ca 0.17 -0.59 0.13 0.00 0.77 0.00 0.00 66.41 66.89 1ucp h THR 89 Cb 0.13 1.08 -0.21 0.00 -1.74 0.00 0.00 68.15 67.40 1ucp h THR 89 CO -0.02 0.20 -0.09 -2.28 0.37 0.00 0.00 175.52 173.70 1ucp s HIS 90 N -5.46 -1.20 -2.91 3.16 5.65 0.29 -4.53 115.29 110.30 1ucp s HIS 90 Ca -0.13 1.55 0.25 0.00 0.25 0.00 0.00 55.06 56.98 1ucp s HIS 90 Cb 0.08 0.52 0.35 0.00 -1.18 0.00 0.00 32.58 32.36 1ucp s HIS 90 CO 0.73 -0.64 1.35 0.94 -0.65 0.00 0.00 174.74 176.47