#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucn n ASN 3 N 0.00 0.00 -1.57 0.00 2.85 -1.26 -4.61 115.26 110.67 1ucn n ASN 3 Ca 0.00 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.56 1ucn n ASN 3 Cb 0.00 0.00 0.36 0.00 1.24 0.00 0.00 39.78 41.38 1ucn n ASN 3 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ucn n GLU 5 N 1.01 1.82 -4.32 0.00 2.13 -1.26 -4.72 120.64 115.31 1ucn n GLU 5 Ca 0.26 0.65 -0.19 0.00 0.66 0.00 0.00 57.16 58.54 1ucn n GLU 5 Cb 0.91 -2.40 -0.11 0.00 0.27 0.00 0.00 31.44 30.12 1ucn n GLU 5 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1ucn s ARG 6 N -2.35 1.24 0.03 5.31 0.52 -1.26 -1.26 118.95 121.18 1ucn s ARG 6 Ca 0.64 -1.45 -0.01 0.00 -0.52 0.00 0.00 55.73 54.38 1ucn s ARG 6 Cb -0.49 -1.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.82 1ucn s ARG 6 CO 0.56 0.21 -0.00 -0.08 0.02 0.00 0.00 175.30 176.00 1ucn s THR 7 N -2.49 0.14 -0.18 0.02 -1.32 -0.53 -4.67 115.64 106.62 1ucn s THR 7 Ca 0.17 -1.15 -0.08 0.00 -1.21 0.00 0.00 61.69 59.42 1ucn s THR 7 Cb -0.03 -0.67 -0.04 0.00 -1.51 0.00 0.00 72.50 70.25 1ucn s THR 7 CO 0.06 -0.63 0.09 0.12 -2.21 0.00 0.00 174.62 172.04 1ucn s PHE 8 N -2.22 3.33 -0.03 9.09 5.36 -1.26 -1.83 117.98 130.42 1ucn s PHE 8 Ca -0.09 0.20 0.01 0.00 -0.96 0.00 0.00 56.93 56.10 1ucn s PHE 8 Cb -0.04 -2.08 0.01 0.00 -0.34 0.00 0.00 43.02 40.57 1ucn s PHE 8 CO -0.04 0.26 -0.05 0.42 -1.46 0.00 0.00 175.22 174.36 1ucn s ILE 9 N 0.19 0.49 -0.05 3.12 -1.09 -0.61 -1.08 121.20 122.17 1ucn s ILE 9 Ca 0.06 -0.17 0.04 0.00 -2.23 0.00 0.00 60.65 58.35 1ucn s ILE 9 Cb -0.12 -0.48 -0.00 0.00 -1.58 0.00 0.00 42.46 40.28 1ucn s ILE 9 CO -0.00 0.18 -0.17 0.00 -1.23 0.00 0.00 174.94 173.72 1ucn s ALA 10 N 0.46 1.54 -0.34 9.38 0.00 0.64 -0.61 121.76 132.83 1ucn s ALA 10 Ca -0.06 -0.67 -0.21 0.00 0.00 0.00 0.00 51.96 51.02 1ucn s ALA 10 Cb -0.09 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1ucn s ALA 10 CO -0.00 0.25 0.66 0.42 0.00 0.00 0.00 175.76 177.09 1ucn s ILE 11 N 0.16 4.88 0.94 0.00 1.01 0.00 -0.65 121.20 127.53 1ucn s ILE 11 Ca -0.07 0.70 -0.11 0.00 0.00 0.00 0.00 60.65 61.17 1ucn s ILE 11 Cb -0.13 -4.08 0.15 0.00 0.01 0.00 0.00 42.46 38.42 1ucn s ILE 11 CO 0.03 -0.29 1.09 -0.54 0.00 0.00 0.00 174.94 175.23 1ucn s LYS 12 N 2.74 0.91 0.35 2.79 1.02 -0.25 -1.77 119.74 125.53 1ucn s LYS 12 Ca 0.26 0.93 0.14 0.00 0.02 0.00 0.00 55.97 57.31 1ucn s LYS 12 Cb -0.14 -1.76 1.00 0.00 -0.52 0.00 0.00 37.83 36.40 1ucn s LYS 12 CO 0.14 -2.51 1.73 -1.35 -0.92 0.00 0.00 175.35 172.44 1ucn h PRO 13 N -1.75 0.46 -0.04 -1.68 0.11 -1.85 0.24 132.00 127.50 1ucn h PRO 13 Ca -0.50 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.44 1ucn h PRO 13 Cb 1.29 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1ucn h PRO 13 CO 0.52 0.31 -0.59 0.38 -0.21 0.00 0.00 178.00 178.41 1ucn h ASP 14 N 0.48 0.15 -0.74 -2.05 2.03 -1.89 -0.09 116.42 114.31 1ucn h ASP 14 Ca 0.65 -0.09 -0.06 0.00 -0.73 0.00 0.00 57.03 56.80 1ucn h ASP 14 Cb 1.42 -0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 39.84 1ucn h ASP 14 CO -0.44 0.71 0.23 1.23 -1.03 0.00 0.00 179.24 179.94 1ucn h GLY 15 N 1.59 1.25 0.73 7.15 0.00 -0.69 -0.72 103.07 112.37 1ucn h GLY 15 Ca -0.00 -0.74 -0.08 0.00 0.00 0.00 0.00 47.33 46.50 1ucn h GLY 15 CO 0.08 0.70 -0.22 -2.08 0.00 0.00 0.00 176.54 175.02 1ucn h VAL 16 N 1.11 1.38 -0.70 4.60 2.07 -1.15 -1.66 116.25 121.89 1ucn h VAL 16 Ca 0.24 -1.48 0.04 0.00 0.82 0.00 0.00 66.70 66.32 1ucn h VAL 16 Cb 0.32 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 1ucn h VAL 16 CO -0.01 0.43 0.46 1.56 0.02 0.00 0.00 177.57 180.04 1ucn h GLN 17 N -0.05 0.79 -0.55 1.57 1.08 -0.83 -2.16 115.11 114.95 1ucn h GLN 17 Ca 0.01 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1ucn h GLN 17 Cb 0.80 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1ucn h GLN 17 CO 0.05 0.53 0.00 0.54 -0.95 0.00 0.00 178.83 178.99 1ucn n ARG 18 N -4.46 2.45 -3.39 1.46 1.74 -0.29 -4.94 116.66 109.23 1ucn n ARG 18 Ca 0.09 -1.63 -0.20 0.00 -0.77 0.00 0.00 57.85 55.34 1ucn n ARG 18 Cb 0.15 -1.56 0.06 0.00 -1.02 0.00 0.00 32.46 30.10 1ucn n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ucn n GLY 19 N 0.87 -0.31 0.99 -0.13 0.00 -0.81 -4.94 105.19 100.86 1ucn n GLY 19 Ca 0.15 0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.36 1ucn n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ucn n LEU 20 N -4.23 3.35 0.14 0.99 4.77 -0.63 -4.65 117.00 116.74 1ucn n LEU 20 Ca 0.00 -1.82 -0.14 0.00 -0.03 0.00 0.00 56.01 54.02 1ucn n LEU 20 Cb 0.55 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1ucn n LEU 20 CO 0.54 0.80 0.77 0.58 -1.33 0.00 0.00 177.39 178.74 1ucn h VAL 21 N 3.37 0.81 -0.25 4.08 2.07 -1.89 -1.79 116.25 122.65 1ucn h VAL 21 Ca 0.00 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1ucn h VAL 21 Cb 0.86 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1ucn h VAL 21 CO 0.00 0.03 0.10 1.23 0.02 0.00 0.00 177.57 178.95 1ucn h GLY 22 N -0.36 0.32 0.52 2.17 0.00 -1.97 -1.60 103.07 102.16 1ucn h GLY 22 Ca -0.03 -0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.32 1ucn h GLY 22 CO 0.05 0.05 0.43 0.83 0.00 0.00 0.00 176.54 177.90 1ucn h GLU 23 N 0.22 0.71 -0.21 4.80 4.39 -1.83 -0.18 114.58 122.49 1ucn h GLU 23 Ca 0.11 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.69 1ucn h GLU 23 Cb 0.06 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1ucn h GLU 23 CO -0.10 0.47 -0.15 0.82 -1.16 0.00 0.00 179.01 178.89 1ucn h ILE 24 N 0.73 1.32 -0.88 3.13 2.04 -1.05 -2.65 117.51 120.14 1ucn h ILE 24 Ca 0.38 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 1ucn h ILE 24 Cb 0.35 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 1ucn h ILE 24 CO -0.25 0.39 0.46 0.40 0.00 0.00 0.00 178.15 179.15 1ucn h ILE 25 N 0.15 1.26 -1.00 -0.67 2.04 -1.02 -2.20 117.51 116.07 1ucn h ILE 25 Ca 0.04 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.29 1ucn h ILE 25 Cb 0.67 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 1ucn h ILE 25 CO 0.04 0.30 0.65 0.50 0.00 0.00 0.00 178.15 179.64 1ucn h LYS 26 N 1.24 1.13 -0.22 2.37 3.64 -0.95 -1.13 116.57 122.64 1ucn h LYS 26 Ca 0.31 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.55 1ucn h LYS 26 Cb 0.06 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1ucn h LYS 26 CO -0.05 0.75 -0.18 0.00 -2.27 0.00 0.00 179.45 177.70 1ucn h ARG 27 N 1.16 0.38 0.02 1.90 3.08 -1.03 -0.10 114.38 119.79 1ucn h ARG 27 Ca 0.43 -0.12 -0.21 0.00 0.07 0.00 0.00 59.98 60.15 1ucn h ARG 27 Cb 0.17 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1ucn h ARG 27 CO -0.17 0.56 -0.99 0.74 -1.07 0.00 0.00 179.97 179.04 1ucn h PHE 28 N 0.35 0.11 -0.17 3.04 -1.00 -1.28 -2.97 116.94 115.02 1ucn h PHE 28 Ca 0.06 -0.07 -0.08 0.00 2.81 0.00 0.00 57.97 60.69 1ucn h PHE 28 Cb 0.53 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.08 1ucn h PHE 28 CO 0.01 1.00 -0.21 0.93 -1.61 0.00 0.00 178.31 178.44 1ucn h GLU 29 N 0.02 0.44 0.00 1.51 5.08 -0.90 -2.72 114.58 118.02 1ucn h GLU 29 Ca -0.03 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1ucn h GLU 29 Cb 1.71 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 1ucn h GLU 29 CO 0.14 0.83 -0.19 -0.56 -1.00 0.00 0.00 179.01 178.22 1ucn h GLN 30 N 0.09 0.00 0.00 2.33 3.07 -1.10 -2.43 115.11 117.06 1ucn h GLN 30 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.69 1ucn h GLN 30 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.31 1ucn h GLN 30 CO 0.05 0.19 -0.34 -0.22 0.09 0.00 0.00 178.83 178.60 1ucn h LYS 31 N 0.00 0.00 0.00 0.06 1.63 -1.47 -3.47 116.57 113.32 1ucn h LYS 31 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ucn h LYS 31 Cb 0.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1ucn h LYS 31 CO 0.02 0.34 0.00 0.41 -3.45 0.00 0.00 179.45 176.77 1ucn n GLY 32 N 0.03 0.95 3.78 5.01 0.00 -0.92 -5.10 105.19 108.94 1ucn n GLY 32 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ucn n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ucn s PHE 33 N -2.00 2.72 -0.19 1.61 0.08 -1.03 -4.99 117.98 114.18 1ucn s PHE 33 Ca 0.00 1.54 -0.08 0.00 0.12 0.00 0.00 56.93 58.51 1ucn s PHE 33 Cb 0.00 -3.19 -0.04 0.00 -0.57 0.00 0.00 43.02 39.22 1ucn s PHE 33 CO 0.00 -1.49 0.09 0.50 -0.10 0.00 0.00 175.22 174.21 1ucn s ARG 34 N -3.70 4.05 -0.02 0.44 3.52 -0.30 -4.56 118.95 118.39 1ucn s ARG 34 Ca 0.69 -0.30 -0.30 0.00 -0.13 0.00 0.00 55.73 55.69 1ucn s ARG 34 Cb -0.21 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 1ucn s ARG 34 CO 0.33 0.28 1.22 -1.17 -0.81 0.00 0.00 175.30 175.16 1ucn s LEU 35 N 0.37 4.30 -0.12 -0.88 0.20 -1.26 -0.13 118.68 121.15 1ucn s LEU 35 Ca 0.05 1.89 0.00 0.00 0.69 0.00 0.00 54.13 56.76 1ucn s LEU 35 Cb -0.12 -3.56 -0.08 0.00 -0.43 0.00 0.00 46.19 42.00 1ucn s LEU 35 CO -0.01 -0.57 -0.12 0.52 -0.29 0.00 0.00 176.35 175.88 1ucn n VAL 36 N 4.47 0.71 -3.99 1.68 0.31 0.12 -4.92 118.33 116.70 1ucn n VAL 36 Ca 0.11 -0.26 -0.09 0.00 -0.01 0.00 0.00 64.34 64.08 1ucn n VAL 36 Cb 0.46 -1.03 -0.11 0.00 -0.91 0.00 0.00 33.84 32.25 1ucn n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ucn s GLY 37 N -5.20 0.26 -0.26 2.92 0.00 -0.98 -0.79 107.32 103.27 1ucn s GLY 37 Ca -0.17 -0.60 -0.09 0.00 0.00 0.00 0.00 44.72 43.86 1ucn s GLY 37 CO 0.28 -0.67 0.56 -2.27 0.00 0.00 0.00 173.10 171.00 1ucn s LEU 38 N -1.46 -0.93 -0.07 0.66 2.96 -1.26 -1.35 118.68 117.23 1ucn s LEU 38 Ca -0.15 1.34 -0.09 0.00 -0.22 0.00 0.00 54.13 55.00 1ucn s LEU 38 Cb -0.10 1.92 0.02 0.00 0.50 0.00 0.00 46.19 48.53 1ucn s LEU 38 CO -0.01 -0.22 0.23 -1.59 -1.32 0.00 0.00 176.35 173.44 1ucn s LYS 39 N 2.73 0.34 -0.26 1.98 -2.85 -0.23 -4.99 119.74 116.46 1ucn s LYS 39 Ca -0.04 0.19 -0.09 0.00 -1.00 0.00 0.00 55.97 55.03 1ucn s LYS 39 Cb -0.12 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.77 1ucn s LYS 39 CO -0.16 -0.06 0.13 0.12 0.10 0.00 0.00 175.35 175.48 1ucn s PHE 40 N -0.20 3.17 0.25 1.78 5.36 -1.26 0.02 117.98 127.09 1ucn s PHE 40 Ca -0.03 -0.12 -0.19 0.00 -0.96 0.00 0.00 56.93 55.63 1ucn s PHE 40 Cb -0.03 -2.29 0.02 0.00 -0.34 0.00 0.00 43.02 40.38 1ucn s PHE 40 CO 0.01 -0.22 0.63 0.00 -1.46 0.00 0.00 175.22 174.19 1ucn s MET 41 N 1.58 1.63 -0.41 10.12 0.23 -0.63 -4.98 119.30 126.83 1ucn s MET 41 Ca 0.06 -0.96 -0.05 0.00 -1.03 0.00 0.00 55.69 53.71 1ucn s MET 41 Cb -0.15 0.57 0.10 0.00 -1.53 0.00 0.00 34.83 33.82 1ucn s MET 41 CO 0.07 -0.73 0.22 -1.14 -2.03 0.00 0.00 175.02 171.42 1ucn s GLN 42 N -3.91 2.26 0.21 3.16 0.74 -1.26 0.02 119.66 120.88 1ucn s GLN 42 Ca 0.12 -1.68 -0.31 0.00 0.05 0.00 0.00 55.36 53.53 1ucn s GLN 42 Cb -0.04 -3.65 -0.11 0.00 1.10 0.00 0.00 33.01 30.31 1ucn s GLN 42 CO 0.04 -1.03 1.61 0.00 -0.55 0.00 0.00 175.29 175.35 1ucn s ALA 43 N 1.25 3.81 0.81 1.58 0.00 -1.26 -4.99 121.76 122.96 1ucn s ALA 43 Ca 0.05 1.47 -0.11 0.00 0.00 0.00 0.00 51.96 53.37 1ucn s ALA 43 Cb -0.23 -3.64 0.08 0.00 0.00 0.00 0.00 23.12 19.32 1ucn s ALA 43 CO -0.02 -0.85 1.09 -1.54 0.00 0.00 0.00 175.76 174.44 1ucn s SER 44 N 0.96 4.25 0.32 0.00 1.04 -1.26 -4.61 113.70 114.40 1ucn s SER 44 Ca 0.69 1.59 0.04 0.00 0.48 0.00 0.00 55.95 58.76 1ucn s SER 44 Cb -0.46 -2.31 0.55 0.00 0.10 0.00 0.00 66.02 63.89 1ucn s SER 44 CO 0.35 -2.16 1.82 -0.33 0.98 0.00 0.00 173.24 173.91 1ucn h GLU 45 N -1.22 0.49 -0.19 4.02 5.08 -1.94 -1.69 114.58 119.15 1ucn h GLU 45 Ca -0.46 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 57.75 1ucn h GLU 45 Cb 1.25 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1ucn h GLU 45 CO 0.54 0.59 0.06 -0.44 -1.00 0.00 0.00 179.01 178.77 1ucn h ASP 46 N 0.46 0.27 -0.68 1.42 3.45 -1.99 0.98 116.42 120.34 1ucn h ASP 46 Ca 0.09 -0.20 0.01 0.00 0.43 0.00 0.00 57.03 57.36 1ucn h ASP 46 Cb 0.45 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 39.11 1ucn h ASP 46 CO 0.02 0.39 0.45 0.25 -1.57 0.00 0.00 179.24 178.79 1ucn h LEU 47 N 0.13 0.77 -0.53 1.55 5.85 -1.88 -2.19 115.31 119.02 1ucn h LEU 47 Ca 0.06 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 1ucn h LEU 47 Cb 0.22 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1ucn h LEU 47 CO -0.00 0.56 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.52 1ucn h LEU 48 N 0.91 0.96 -1.06 2.25 3.38 -1.10 -0.57 115.31 120.10 1ucn h LEU 48 Ca 0.25 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1ucn h LEU 48 Cb -0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 1ucn h LEU 48 CO -0.06 1.07 0.18 0.11 0.09 0.00 0.00 178.44 179.83 1ucn h LYS 49 N 0.84 0.85 -0.12 1.13 1.57 -0.55 -0.93 116.57 119.36 1ucn h LYS 49 Ca 0.14 -0.16 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 1ucn h LYS 49 Cb 0.61 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.79 1ucn h LYS 49 CO 0.04 0.74 -0.56 1.49 -0.57 0.00 0.00 179.45 180.58 1ucn h GLU 50 N 0.83 0.60 -0.94 3.15 4.57 -1.25 -1.07 114.58 120.47 1ucn h GLU 50 Ca 0.19 -0.48 0.05 0.00 -1.18 0.00 0.00 59.36 57.94 1ucn h GLU 50 Cb 0.24 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.87 1ucn h GLU 50 CO -0.01 1.10 0.60 1.25 -1.18 0.00 0.00 179.01 180.77 1ucn h HIS 51 N 0.23 1.12 -0.67 0.92 2.76 -0.78 -2.03 115.15 116.70 1ucn h HIS 51 Ca -0.04 0.03 -0.22 0.00 -2.20 0.00 0.00 60.37 57.94 1ucn h HIS 51 Cb 1.20 -0.37 -0.13 0.00 1.55 0.00 0.00 27.41 29.66 1ucn h HIS 51 CO 0.11 0.61 0.24 0.66 -1.30 0.00 0.00 177.93 178.25 1ucn n TYR 52 N -4.52 2.21 -0.32 5.26 4.01 -0.38 -4.69 117.16 118.73 1ucn n TYR 52 Ca 0.13 -1.28 0.14 0.00 -0.16 0.00 0.00 57.90 56.73 1ucn n TYR 52 Cb 0.14 -0.66 0.33 0.00 -0.31 0.00 0.00 39.34 38.84 1ucn n TYR 52 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1ucn h VAL 53 N 2.22 0.53 0.00 -0.72 3.04 -0.42 0.21 116.25 121.11 1ucn h VAL 53 Ca 0.27 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 1ucn h VAL 53 Cb 2.23 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 1ucn h VAL 53 CO 0.69 0.09 0.00 0.44 -1.01 0.00 0.00 177.57 177.78 1ucn h ASP 54 N 0.50 0.00 -0.18 3.17 3.45 -1.84 -0.45 116.42 121.08 1ucn h ASP 54 Ca 0.58 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.04 1ucn h ASP 54 Cb 1.08 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.85 1ucn h ASP 54 CO -0.49 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.36 1ucn n LEU 55 N -2.38 2.43 -0.14 1.55 4.77 0.71 -4.70 117.00 119.24 1ucn n LEU 55 Ca -0.02 -1.47 0.28 0.00 -0.03 0.00 0.00 56.01 54.77 1ucn n LEU 55 Cb 0.04 -0.11 0.65 0.00 -2.33 0.00 0.00 43.42 41.67 1ucn n LEU 55 CO 0.11 0.54 1.25 0.07 -1.33 0.00 0.00 177.39 178.04 1ucn h LYS 56 N 2.17 0.00 -0.60 3.23 2.10 -0.86 0.17 116.57 122.78 1ucn h LYS 56 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ucn h LYS 56 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 1ucn h LYS 56 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1ucn n ASP 57 N -3.66 4.56 -4.83 7.07 8.00 -1.26 -4.88 116.55 121.54 1ucn n ASP 57 Ca 0.18 -2.44 -0.34 0.00 0.71 0.00 0.00 54.79 52.90 1ucn n ASP 57 Cb 1.12 -0.55 -0.06 0.00 -0.02 0.00 0.00 41.12 41.61 1ucn n ASP 57 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ucn s ARG 58 N -1.83 4.17 0.31 -1.24 1.81 0.05 -4.96 118.95 117.27 1ucn s ARG 58 Ca 0.49 0.88 0.05 0.00 -1.72 0.00 0.00 55.73 55.42 1ucn s ARG 58 Cb 0.31 -2.53 0.67 0.00 -0.45 0.00 0.00 34.95 32.95 1ucn s ARG 58 CO 0.23 0.19 1.85 -1.35 -0.68 0.00 0.00 175.30 175.55 1ucn h PRO 59 N 2.58 0.84 -0.11 3.54 0.11 -1.93 -1.48 132.00 135.54 1ucn h PRO 59 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1ucn h PRO 59 Cb 1.18 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1ucn h PRO 59 CO 0.64 0.55 0.00 -2.67 -0.21 0.00 0.00 178.00 176.32 1ucn n TRP 60 N -4.59 0.13 -0.00 0.65 4.27 -1.26 -4.42 117.44 112.21 1ucn n TRP 60 Ca 0.18 -0.07 -0.10 0.00 -3.89 0.00 0.00 57.50 53.63 1ucn n TRP 60 Cb 0.40 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.31 1ucn n TRP 60 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1ucn h PHE 61 N 1.91 -0.16 -0.68 -2.67 3.57 -1.52 0.05 116.94 117.45 1ucn h PHE 61 Ca 0.00 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.58 1ucn h PHE 61 Cb 0.41 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 1ucn h PHE 61 CO 0.07 -0.10 0.37 0.00 -2.23 0.00 0.00 178.31 176.41 1ucn h ALA 62 N 1.03 0.92 -0.66 2.41 0.00 -1.79 -1.47 119.26 119.70 1ucn h ALA 62 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ucn h ALA 62 Cb 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1ucn h ALA 62 CO -0.15 0.04 0.25 0.78 0.00 0.00 0.00 179.25 180.16 1ucn h GLY 63 N 0.68 1.07 0.98 0.00 0.00 -1.71 -1.48 103.07 102.60 1ucn h GLY 63 Ca 0.31 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1ucn h GLY 63 CO -0.20 0.56 0.02 -2.00 0.00 0.00 0.00 176.54 174.93 1ucn h LEU 64 N 0.94 0.03 -0.21 3.11 5.85 -0.37 0.43 115.31 125.09 1ucn h LEU 64 Ca 0.22 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1ucn h LEU 64 Cb 0.23 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1ucn h LEU 64 CO -0.01 0.03 0.12 0.58 -0.34 0.00 0.00 178.44 178.82 1ucn h VAL 65 N 0.05 1.09 -0.38 1.05 2.07 -1.14 0.29 116.25 119.28 1ucn h VAL 65 Ca 0.02 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1ucn h VAL 65 Cb 0.00 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1ucn h VAL 65 CO -0.01 0.08 0.22 0.50 0.02 0.00 0.00 177.57 178.38 1ucn h LYS 66 N 0.25 0.44 -0.04 1.57 3.64 -1.14 -2.09 116.57 119.20 1ucn h LYS 66 Ca 0.07 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1ucn h LYS 66 Cb 0.02 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1ucn h LYS 66 CO -0.01 0.29 0.01 -0.92 -2.27 0.00 0.00 179.45 176.55 1ucn h TYR 67 N 0.45 0.06 0.00 1.91 5.03 -0.58 -2.48 116.97 121.37 1ucn h TYR 67 Ca 0.15 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.45 1ucn h TYR 67 Cb 0.01 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.27 1ucn h TYR 67 CO -0.07 0.24 0.00 -1.33 -1.32 0.00 0.00 178.16 175.68 1ucn n MET 68 N -4.95 0.13 0.00 1.82 2.81 0.10 -1.20 117.12 115.83 1ucn n MET 68 Ca -0.07 0.58 0.10 0.00 -1.81 0.00 0.00 57.70 56.50 1ucn n MET 68 Cb 0.13 -1.90 -0.10 0.00 -0.71 0.00 0.00 33.22 30.64 1ucn n MET 68 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1ucn n HIS 69 N -2.17 0.00 0.53 2.03 -0.00 -0.80 -4.46 115.22 110.35 1ucn n HIS 69 Ca -0.01 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.81 1ucn n HIS 69 Cb 0.07 0.00 0.41 0.00 -0.00 0.00 0.00 29.99 30.47 1ucn n HIS 69 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1ucn n SER 70 N -1.29 0.27 -3.45 0.26 3.41 -0.34 -4.87 113.62 107.62 1ucn n SER 70 Ca 0.05 0.56 -0.08 0.00 -0.26 0.00 0.00 58.87 59.14 1ucn n SER 70 Cb 0.34 -0.62 -0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1ucn n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ucn s GLY 71 N -3.22 0.11 0.60 5.00 0.00 -1.26 -5.13 107.32 103.42 1ucn s GLY 71 Ca 0.07 -0.51 -0.16 0.00 0.00 0.00 0.00 44.72 44.12 1ucn s GLY 71 CO 0.36 -0.19 1.08 2.56 0.00 0.00 0.00 173.10 176.91 1ucn s PRO 72 N -3.21 3.22 0.19 2.90 0.04 -1.26 -4.65 135.00 132.22 1ucn s PRO 72 Ca 0.13 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.55 1ucn s PRO 72 Cb -0.06 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1ucn s PRO 72 CO 0.09 -0.91 -0.12 0.14 0.04 0.00 0.00 177.00 176.24 1ucn s VAL 73 N -2.30 1.52 -0.33 -0.36 -7.23 0.10 -3.66 120.40 108.15 1ucn s VAL 73 Ca 0.66 -2.15 -0.08 0.00 -1.81 0.00 0.00 61.98 58.60 1ucn s VAL 73 Cb -0.18 -2.00 0.02 0.00 0.56 0.00 0.00 36.38 34.78 1ucn s VAL 73 CO 0.35 -0.63 0.12 -0.69 -0.31 0.00 0.00 175.10 173.95 1ucn s VAL 74 N -3.11 4.05 -0.03 1.32 1.01 -0.73 -1.61 120.40 121.31 1ucn s VAL 74 Ca 0.21 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 1ucn s VAL 74 Cb 0.01 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 1ucn s VAL 74 CO 0.05 -0.08 0.48 0.00 0.00 0.00 0.00 175.10 175.55 1ucn s ALA 75 N 1.48 3.58 0.04 5.51 0.00 0.10 -0.82 121.76 131.65 1ucn s ALA 75 Ca 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 1ucn s ALA 75 Cb -0.18 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1ucn s ALA 75 CO 0.04 0.26 -0.02 -1.64 0.00 0.00 0.00 175.76 174.40 1ucn s MET 76 N -0.38 0.49 -0.09 0.00 -1.94 0.22 -1.06 119.30 116.55 1ucn s MET 76 Ca 0.26 -0.94 0.01 0.00 -1.71 0.00 0.00 55.69 53.31 1ucn s MET 76 Cb -0.17 0.17 0.02 0.00 2.01 0.00 0.00 34.83 36.87 1ucn s MET 76 CO 0.13 -0.09 -0.08 0.08 -0.01 0.00 0.00 175.02 175.05 1ucn s VAL 77 N -2.84 0.96 0.03 -6.03 1.01 -0.46 -1.57 120.40 111.49 1ucn s VAL 77 Ca -0.03 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.73 1ucn s VAL 77 Cb 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1ucn s VAL 77 CO -0.06 0.34 -0.24 0.26 0.00 0.00 0.00 175.10 175.40 1ucn s TRP 78 N 1.28 2.39 -0.00 5.22 0.52 -0.76 0.10 118.94 127.69 1ucn s TRP 78 Ca -0.04 -0.37 0.05 0.00 0.02 0.00 0.00 56.10 55.76 1ucn s TRP 78 Cb -0.14 -1.44 -0.03 0.00 -1.15 0.00 0.00 33.47 30.71 1ucn s TRP 78 CO -0.03 0.13 -0.15 -2.00 0.02 0.00 0.00 176.95 174.91 1ucn s GLU 79 N -1.14 2.32 0.00 4.98 2.12 0.82 -1.45 118.70 126.35 1ucn s GLU 79 Ca 0.12 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.62 1ucn s GLU 79 Cb -0.10 -2.30 0.00 0.00 0.26 0.00 0.00 34.13 31.99 1ucn s GLU 79 CO 0.02 0.58 0.00 0.41 -0.54 0.00 0.00 175.26 175.73 1ucn n GLY 80 N 1.89 2.70 3.68 -1.50 0.00 -0.39 -1.15 105.19 110.42 1ucn n GLY 80 Ca -0.16 -0.90 -0.47 0.00 0.00 0.00 0.00 46.02 44.49 1ucn n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ucn n LEU 81 N 0.00 3.50 -2.76 0.99 0.00 -1.25 -1.53 117.00 115.95 1ucn n LEU 81 Ca 0.00 0.98 -0.18 0.00 0.00 0.00 0.00 56.01 56.81 1ucn n LEU 81 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 43.42 42.02 1ucn n LEU 81 CO 0.00 -0.05 -0.12 0.59 0.00 0.00 0.00 177.39 177.82 1ucn n ASN 82 N 6.31 -4.47 -0.18 1.96 5.03 -1.26 -4.86 115.26 117.79 1ucn n ASN 82 Ca 0.22 -0.05 0.12 0.00 0.87 0.00 0.00 54.58 55.73 1ucn n ASN 82 Cb 0.31 -3.72 0.44 0.00 -1.02 0.00 0.00 39.78 35.79 1ucn n ASN 82 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 1ucn h VAL 83 N -0.47 0.87 0.72 2.41 -1.51 -1.56 -1.79 116.25 114.92 1ucn h VAL 83 Ca -0.39 -0.19 -0.04 0.00 -1.23 0.00 0.00 66.70 64.85 1ucn h VAL 83 Cb 1.28 0.27 0.01 0.00 -2.13 0.00 0.00 31.29 30.71 1ucn h VAL 83 CO 0.46 0.10 -0.35 0.58 -1.23 0.00 0.00 177.57 177.13 1ucn h VAL 84 N 0.55 0.19 -0.39 7.19 2.07 -1.85 0.33 116.25 124.34 1ucn h VAL 84 Ca 0.36 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1ucn h VAL 84 Cb 0.64 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1ucn h VAL 84 CO -0.13 0.02 0.18 0.50 0.02 0.00 0.00 177.57 178.16 1ucn h LYS 85 N -1.12 0.56 -0.27 1.57 3.64 -1.86 -2.47 116.57 116.61 1ucn h LYS 85 Ca -0.10 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.07 1ucn h LYS 85 Cb 0.77 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1ucn h LYS 85 CO 0.16 0.50 -0.35 1.79 -2.27 0.00 0.00 179.45 179.28 1ucn h THR 86 N 0.48 1.29 -1.01 1.00 1.35 -1.37 -2.36 112.91 112.30 1ucn h THR 86 Ca 0.13 -1.48 0.06 0.00 -0.55 0.00 0.00 66.41 64.57 1ucn h THR 86 Cb 0.12 1.45 -0.07 0.00 -1.73 0.00 0.00 68.15 67.93 1ucn h THR 86 CO -0.02 0.47 0.65 1.23 -0.25 0.00 0.00 175.52 177.61 1ucn h GLY 87 N 1.02 1.52 1.02 5.82 0.00 -0.17 0.51 103.07 112.79 1ucn h GLY 87 Ca 0.05 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1ucn h GLY 87 CO 0.07 0.36 0.35 3.21 0.00 0.00 0.00 176.54 180.53 1ucn h ARG 88 N 1.20 1.08 -0.63 4.80 2.47 -0.99 -0.86 114.38 121.47 1ucn h ARG 88 Ca 0.43 -0.16 -0.05 0.00 -1.26 0.00 0.00 59.98 58.93 1ucn h ARG 88 Cb 0.12 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.23 1ucn h ARG 88 CO -0.16 0.85 0.20 0.28 0.56 0.00 0.00 179.97 181.70 1ucn h VAL 89 N 1.06 1.25 -0.41 2.04 2.07 -0.78 -2.37 116.25 119.11 1ucn h VAL 89 Ca 0.26 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1ucn h VAL 89 Cb 0.13 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1ucn h VAL 89 CO -0.03 0.32 0.02 0.24 0.02 0.00 0.00 177.57 178.14 1ucn h MET 90 N 0.90 0.64 -0.42 1.57 2.86 -0.43 -2.95 114.93 117.10 1ucn h MET 90 Ca 0.20 -0.15 -0.15 0.00 -2.06 0.00 0.00 59.70 57.55 1ucn h MET 90 Cb 0.29 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1ucn h MET 90 CO -0.01 0.65 -0.32 -0.07 1.06 0.00 0.00 176.91 178.22 1ucn h LEU 91 N 0.61 1.01 0.00 1.22 4.07 -0.91 -0.60 115.31 120.71 1ucn h LEU 91 Ca 0.13 -0.44 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1ucn h LEU 91 Cb 0.36 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1ucn h LEU 91 CO 0.01 1.24 0.00 0.61 -1.08 0.00 0.00 178.44 179.22 1ucn n GLY 92 N 0.05 -1.29 3.87 0.83 0.00 -0.92 -0.53 105.19 107.20 1ucn n GLY 92 Ca -0.01 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 1ucn n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ucn s GLU 93 N -0.05 2.90 0.17 1.61 0.41 -1.26 -4.80 118.70 117.67 1ucn s GLU 93 Ca 0.00 0.58 -0.15 0.00 -0.41 0.00 0.00 54.97 54.99 1ucn s GLU 93 Cb 0.00 -2.02 0.11 0.00 -1.78 0.00 0.00 34.13 30.45 1ucn s GLU 93 CO 0.00 -1.03 1.73 1.15 -0.49 0.00 0.00 175.26 176.62 1ucn h THR 94 N -0.66 0.81 -3.48 3.63 2.02 -1.96 -3.37 112.91 109.91 1ucn h THR 94 Ca -0.45 -0.08 -0.61 0.00 0.77 0.00 0.00 66.41 66.04 1ucn h THR 94 Cb 1.24 0.55 -0.11 0.00 -1.74 0.00 0.00 68.15 68.09 1ucn h THR 94 CO 0.62 0.04 0.28 0.21 0.37 0.00 0.00 175.52 177.05 1ucn s ASN 95 N -5.33 6.59 0.48 4.18 3.84 -1.26 -4.73 114.94 118.71 1ucn s ASN 95 Ca -0.13 0.56 0.26 0.00 0.21 0.00 0.00 52.86 53.76 1ucn s ASN 95 Cb 0.13 -2.37 1.31 0.00 -0.55 0.00 0.00 41.25 39.77 1ucn s ASN 95 CO 0.72 -0.55 1.84 -0.65 -2.79 0.00 0.00 177.10 175.67 1ucn h PRO 96 N 8.14 0.19 -0.02 0.43 0.11 -1.74 0.26 132.00 139.36 1ucn h PRO 96 Ca -0.25 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.85 1ucn h PRO 96 Cb 1.11 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ucn h PRO 96 CO 0.84 0.12 0.02 0.00 -0.21 0.00 0.00 178.00 178.78 1ucn h ALA 97 N 1.56 1.99 -0.00 -0.75 0.00 -1.88 -1.20 119.26 118.98 1ucn h ALA 97 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1ucn h ALA 97 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1ucn h ALA 97 CO -0.11 -0.03 -0.63 -0.25 0.00 0.00 0.00 179.25 178.22 1ucn n ASP 98 N -4.48 0.79 -4.76 0.00 10.43 0.88 -4.93 116.55 114.49 1ucn n ASP 98 Ca -0.02 -0.62 -0.40 0.00 2.57 0.00 0.00 54.79 56.31 1ucn n ASP 98 Cb 0.11 0.49 -0.04 0.00 1.84 0.00 0.00 41.12 43.52 1ucn n ASP 98 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1ucn s SER 99 N -2.92 7.25 0.22 -2.24 0.01 -0.45 -4.64 113.70 110.92 1ucn s SER 99 Ca 0.12 2.28 -0.21 0.00 1.31 0.00 0.00 55.95 59.45 1ucn s SER 99 Cb 0.17 -2.63 -0.08 0.00 0.21 0.00 0.00 66.02 63.69 1ucn s SER 99 CO 0.73 -0.16 0.75 -0.54 0.41 0.00 0.00 173.24 174.43 1ucn s LYS 100 N -1.41 4.33 0.47 12.44 -0.14 -1.26 -4.57 119.74 129.61 1ucn s LYS 100 Ca 0.45 0.96 -0.23 0.00 -1.36 0.00 0.00 55.97 55.79 1ucn s LYS 100 Cb -0.32 -2.93 -0.09 0.00 -1.68 0.00 0.00 37.83 32.80 1ucn s LYS 100 CO 0.41 0.41 1.02 -2.30 -0.76 0.00 0.00 175.35 174.13 1ucn n PRO 101 N 0.85 1.29 0.00 -1.68 -0.02 -1.26 -1.12 135.00 133.07 1ucn n PRO 101 Ca -0.02 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1ucn n PRO 101 Cb 0.51 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1ucn n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ucn n GLY 102 N 1.18 2.74 3.93 -1.23 0.00 -1.26 -4.96 105.19 105.59 1ucn n GLY 102 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1ucn n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ucn s THR 103 N -2.69 4.34 0.10 2.61 -4.23 -0.27 -4.92 115.64 110.57 1ucn s THR 103 Ca 0.00 -0.17 -0.21 0.00 -1.18 0.00 0.00 61.69 60.14 1ucn s THR 103 Cb 0.00 -3.64 -0.10 0.00 1.34 0.00 0.00 72.50 70.10 1ucn s THR 103 CO 0.00 -0.55 1.68 0.40 -0.54 0.00 0.00 174.62 175.61 1ucn h ILE 104 N 0.26 1.11 -0.27 2.99 2.04 -1.06 -0.46 117.51 122.12 1ucn h ILE 104 Ca -0.47 -0.32 -0.16 0.00 1.00 0.00 0.00 64.86 64.91 1ucn h ILE 104 Cb 1.23 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1ucn h ILE 104 CO 0.60 0.10 -0.49 0.03 0.00 0.00 0.00 178.15 178.40 1ucn h ARG 105 N 0.14 0.74 -0.76 2.37 3.08 -1.06 -2.10 114.38 116.78 1ucn h ARG 105 Ca 0.05 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 1ucn h ARG 105 Cb 0.10 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1ucn h ARG 105 CO -0.01 1.06 0.47 0.78 -1.07 0.00 0.00 179.97 181.20 1ucn h GLY 106 N 0.89 1.10 1.69 0.04 0.00 -1.70 -2.62 103.07 102.47 1ucn h GLY 106 Ca 0.03 -0.45 -0.26 0.00 0.00 0.00 0.00 47.33 46.65 1ucn h GLY 106 CO 0.10 0.43 -1.21 -0.55 0.00 0.00 0.00 176.54 175.32 1ucn h ASP 107 N 1.04 0.33 -0.02 0.19 3.32 -1.07 -3.42 116.42 116.80 1ucn h ASP 107 Ca 0.28 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1ucn h ASP 107 Cb -0.06 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1ucn h ASP 107 CO -0.05 1.28 0.00 0.49 -1.72 0.00 0.00 179.24 179.24 1ucn n PHE 108 N -3.48 0.01 -4.03 4.55 3.72 -0.79 -5.07 117.46 112.37 1ucn n PHE 108 Ca -0.07 -0.02 -0.11 0.00 -0.05 0.00 0.00 57.45 57.20 1ucn n PHE 108 Cb 1.01 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.50 1ucn n PHE 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ucn n ILE 110 N -0.43 0.00 -4.14 0.00 5.41 -1.26 -4.74 119.36 114.20 1ucn n ILE 110 Ca -0.01 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.39 1ucn n ILE 110 Cb 0.62 -1.08 -0.08 0.00 -0.71 0.00 0.00 39.64 38.40 1ucn n ILE 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1ucn s GLN 111 N -1.96 3.16 0.30 0.38 0.74 -1.26 -3.80 119.66 117.23 1ucn s GLN 111 Ca 0.00 -0.34 0.06 0.00 0.05 0.00 0.00 55.36 55.13 1ucn s GLN 111 Cb 0.00 -2.94 0.75 0.00 1.10 0.00 0.00 33.01 31.92 1ucn s GLN 111 CO 0.00 0.71 1.77 -0.24 -0.55 0.00 0.00 175.29 176.98 1ucn h VAL 112 N 3.82 0.69 0.00 1.34 3.04 -1.94 0.14 116.25 123.33 1ucn h VAL 112 Ca -0.52 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 64.92 1ucn h VAL 112 Cb 1.20 -0.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 1ucn h VAL 112 CO 0.58 0.14 0.00 0.61 -1.01 0.00 0.00 177.57 177.89 1ucn n GLY 113 N -1.33 -1.14 2.27 3.17 0.00 -1.26 -3.52 105.19 103.38 1ucn n GLY 113 Ca 0.24 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1ucn n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ucn n ARG 114 N -1.35 1.21 -1.25 1.61 5.12 0.46 -4.96 116.66 117.49 1ucn n ARG 114 Ca 0.10 -3.54 -0.27 0.00 -1.93 0.00 0.00 57.85 52.21 1ucn n ARG 114 Cb 0.21 -1.72 0.15 0.00 -1.16 0.00 0.00 32.46 29.95 1ucn n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1ucn n ASN 115 N 0.37 4.84 0.00 0.55 0.23 -1.07 -4.31 115.26 115.86 1ucn n ASN 115 Ca 0.25 -3.66 0.00 0.00 -0.53 0.00 0.00 54.58 50.64 1ucn n ASN 115 Cb 0.61 -0.87 0.00 0.00 -2.08 0.00 0.00 39.78 37.44 1ucn n ASN 115 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 1ucn n ILE 116 N -1.08 0.00 -3.45 1.53 -5.35 -1.26 -4.74 119.36 105.00 1ucn n ILE 116 Ca 0.60 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.95 1ucn n ILE 116 Cb 1.38 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 39.25 1ucn n ILE 116 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1ucn s ILE 117 N 0.00 0.00 0.16 7.28 2.07 -1.26 -1.09 121.20 128.35 1ucn s ILE 117 Ca 0.00 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.14 1ucn s ILE 117 Cb 0.00 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.59 1ucn s ILE 117 CO 0.00 0.00 0.30 -0.83 -1.91 0.00 0.00 174.94 172.50 1ucn s GLY 118 N -2.29 0.35 0.02 1.50 0.00 0.17 -4.88 107.32 102.19 1ucn s GLY 118 Ca -0.03 -0.76 -0.28 0.00 0.00 0.00 0.00 44.72 43.64 1ucn s GLY 118 CO -0.06 -0.76 0.95 -0.32 0.00 0.00 0.00 173.10 172.91 1ucn s GLY 119 N -2.94 -0.39 0.54 0.20 0.00 -1.26 -0.26 107.32 103.21 1ucn s GLY 119 Ca 0.14 0.84 -0.21 0.00 0.00 0.00 0.00 44.72 45.49 1ucn s GLY 119 CO -0.02 0.26 1.14 1.44 0.00 0.00 0.00 173.10 175.92 1ucn n SER 120 N -0.30 1.66 -0.44 1.64 7.64 -0.24 -4.95 113.62 118.64 1ucn n SER 120 Ca -0.07 0.92 0.04 0.00 1.01 0.00 0.00 58.87 60.78 1ucn n SER 120 Cb 0.61 -1.46 0.09 0.00 -1.01 0.00 0.00 64.21 62.44 1ucn n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1ucn n ASP 121 N -0.60 2.32 -3.50 6.43 3.85 -1.26 -4.76 116.55 119.04 1ucn n ASP 121 Ca 0.11 -1.74 -0.14 0.00 -0.71 0.00 0.00 54.79 52.31 1ucn n ASP 121 Cb 0.44 -0.11 -0.04 0.00 -1.35 0.00 0.00 41.12 40.06 1ucn n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1ucn s SER 122 N -0.89 -0.56 0.25 -1.12 1.04 -1.26 -4.92 113.70 106.23 1ucn s SER 122 Ca 0.15 0.27 -0.05 0.00 0.48 0.00 0.00 55.95 56.80 1ucn s SER 122 Cb 0.09 0.55 0.27 0.00 0.10 0.00 0.00 66.02 67.02 1ucn s SER 122 CO 0.12 -0.79 1.84 0.58 0.98 0.00 0.00 173.24 175.97 1ucn h VAL 123 N 2.54 1.25 -0.35 5.02 2.07 -1.95 0.02 116.25 124.85 1ucn h VAL 123 Ca -0.31 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1ucn h VAL 123 Cb 1.23 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1ucn h VAL 123 CO 0.39 0.30 0.18 -0.08 0.02 0.00 0.00 177.57 178.38 1ucn h GLU 124 N 1.11 0.50 -0.54 1.57 4.81 -1.97 -2.13 114.58 117.94 1ucn h GLU 124 Ca 0.27 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 1ucn h GLU 124 Cb 0.13 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1ucn h GLU 124 CO -0.03 0.43 -0.13 0.77 -0.73 0.00 0.00 179.01 179.33 1ucn h SER 125 N 0.44 1.04 -0.11 1.04 0.02 -1.90 -2.51 113.55 111.56 1ucn h SER 125 Ca 0.12 -0.35 0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1ucn h SER 125 Cb 0.09 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 1ucn h SER 125 CO -0.02 1.15 -0.10 0.00 -1.14 0.00 0.00 176.83 176.72 1ucn h ALA 126 N 0.93 -0.01 -0.44 3.77 0.00 -0.72 0.28 119.26 123.06 1ucn h ALA 126 Ca 0.14 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ucn h ALA 126 Cb 0.70 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1ucn h ALA 126 CO 0.05 -0.56 0.15 0.93 0.00 0.00 0.00 179.25 179.83 1ucn h GLU 127 N -0.12 0.64 -0.19 0.00 4.39 -1.35 0.36 114.58 118.30 1ucn h GLU 127 Ca 0.08 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1ucn h GLU 127 Cb 0.23 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1ucn h GLU 127 CO -0.19 0.55 -0.05 -0.22 -1.16 0.00 0.00 179.01 177.94 1ucn h LYS 128 N 0.63 0.37 -0.57 2.33 3.64 -0.87 -2.02 116.57 120.08 1ucn h LYS 128 Ca 0.15 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1ucn h LYS 128 Cb 0.17 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1ucn h LYS 128 CO -0.01 0.64 0.03 0.93 -2.27 0.00 0.00 179.45 178.77 1ucn h GLU 129 N 0.09 0.98 -0.35 1.90 5.08 -0.03 -1.27 114.58 120.99 1ucn h GLU 129 Ca 0.05 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1ucn h GLU 129 Cb 0.50 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1ucn h GLU 129 CO 0.02 0.97 0.22 0.82 -1.00 0.00 0.00 179.01 180.04 1ucn h ILE 130 N 0.87 1.07 0.00 3.13 2.04 -0.27 0.26 117.51 124.61 1ucn h ILE 130 Ca 0.16 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1ucn h ILE 130 Cb 0.50 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1ucn h ILE 130 CO 0.02 0.08 -0.16 1.23 0.00 0.00 0.00 178.15 179.32 1ucn h GLY 131 N 0.45 0.00 0.99 5.37 0.00 -1.15 -0.39 103.07 108.35 1ucn h GLY 131 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.25 1ucn h GLY 131 CO -0.04 0.00 -0.85 -2.00 0.00 0.00 0.00 176.54 173.65 1ucn h LEU 132 N 0.00 0.72 0.00 3.11 5.85 -0.00 -3.37 115.31 121.62 1ucn h LEU 132 Ca -0.00 -0.77 -0.08 0.00 0.84 0.00 0.00 57.88 57.88 1ucn h LEU 132 Cb 0.37 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1ucn h LEU 132 CO 0.02 1.40 -1.30 0.79 -0.34 0.00 0.00 178.44 179.01 1ucn n TRP 133 N -4.03 0.85 -4.39 1.25 7.02 -0.04 -4.98 117.44 113.12 1ucn n TRP 133 Ca -0.11 0.26 -0.24 0.00 -1.02 0.00 0.00 57.50 56.39 1ucn n TRP 133 Cb 0.79 -0.97 -0.11 0.00 -2.42 0.00 0.00 31.31 28.61 1ucn n TRP 133 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1ucn s PHE 134 N -3.19 2.10 -0.01 -5.99 0.08 -0.17 -5.09 117.98 105.71 1ucn s PHE 134 Ca -0.02 -0.40 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 1ucn s PHE 134 Cb 0.10 -1.03 -0.05 0.00 -0.57 0.00 0.00 43.02 41.46 1ucn s PHE 134 CO 0.81 0.45 0.32 -1.01 -0.10 0.00 0.00 175.22 175.69 1ucn s HIS 135 N -1.91 3.65 0.37 0.36 3.76 -1.26 -4.64 115.29 115.61 1ucn s HIS 135 Ca 0.20 0.77 0.19 0.00 -0.15 0.00 0.00 55.06 56.07 1ucn s HIS 135 Cb -0.07 -2.13 1.16 0.00 1.11 0.00 0.00 32.58 32.66 1ucn s HIS 135 CO 0.09 0.64 1.67 -1.00 -0.85 0.00 0.00 174.74 175.30 1ucn h PRO 136 N 4.47 0.28 0.00 8.40 0.13 -1.95 0.53 132.00 143.86 1ucn h PRO 136 Ca -0.52 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1ucn h PRO 136 Cb 1.21 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ucn h PRO 136 CO 0.62 0.19 0.00 0.93 -0.23 0.00 0.00 178.00 179.51 1ucn h GLU 137 N 0.29 0.00 0.00 0.86 3.07 -2.04 -2.60 114.58 114.16 1ucn h GLU 137 Ca 0.73 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.59 1ucn h GLU 137 Cb 1.84 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.75 1ucn h GLU 137 CO -0.51 0.00 -0.19 0.39 -1.40 0.00 0.00 179.01 177.31 1ucn n GLU 138 N -2.31 0.07 -3.35 2.33 1.02 0.18 -4.66 120.64 113.92 1ucn n GLU 138 Ca 0.02 0.04 -0.43 0.00 -0.02 0.00 0.00 57.16 56.77 1ucn n GLU 138 Cb 0.24 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 30.00 1ucn n GLU 138 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ucn s LEU 139 N -3.35 5.00 -0.04 -4.62 1.43 -0.98 -4.52 118.68 111.61 1ucn s LEU 139 Ca 0.12 -0.80 -0.23 0.00 -1.03 0.00 0.00 54.13 52.19 1ucn s LEU 139 Cb 0.17 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1ucn s LEU 139 CO 0.60 -0.57 0.67 -0.69 0.23 0.00 0.00 176.35 176.59 1ucn s VAL 140 N 2.00 4.97 -0.22 -1.59 1.01 0.03 -5.01 120.40 121.60 1ucn s VAL 140 Ca 0.10 1.39 -0.08 0.00 0.00 0.00 0.00 61.98 63.38 1ucn s VAL 140 Cb -0.18 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1ucn s VAL 140 CO 0.12 0.32 0.10 -0.62 0.00 0.00 0.00 175.10 175.01 1ucn s ASP 141 N 0.41 5.60 0.26 3.32 -1.08 -1.26 -4.73 116.67 119.19 1ucn s ASP 141 Ca 0.35 -0.01 -0.18 0.00 -0.52 0.00 0.00 52.55 52.19 1ucn s ASP 141 Cb -0.18 -1.99 0.01 0.00 -1.46 0.00 0.00 42.92 39.30 1ucn s ASP 141 CO 0.18 0.07 0.62 -0.72 0.52 0.00 0.00 175.17 175.83 1ucn s TYR 142 N 1.03 0.02 -0.15 -5.34 1.13 -1.26 -5.16 117.35 107.62 1ucn s TYR 142 Ca 0.05 -0.44 -0.00 0.00 -1.41 0.00 0.00 57.07 55.27 1ucn s TYR 142 Cb -0.14 0.49 -0.01 0.00 -1.10 0.00 0.00 41.96 41.21 1ucn s TYR 142 CO 0.03 -1.13 -0.14 0.99 -2.51 0.00 0.00 175.55 172.80 1ucn s THR 143 N -3.95 2.83 0.20 -3.49 2.01 -1.26 -5.09 115.64 106.87 1ucn s THR 143 Ca 0.15 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 1ucn s THR 143 Cb -0.04 -2.20 -0.09 0.00 0.01 0.00 0.00 72.50 70.19 1ucn s THR 143 CO 0.07 0.51 1.39 -0.55 -0.69 0.00 0.00 174.62 175.35 1ucn s SER 144 N 0.72 6.77 0.41 3.53 0.15 -1.26 -4.88 113.70 119.14 1ucn s SER 144 Ca -0.06 2.50 0.29 0.00 0.70 0.00 0.00 55.95 59.37 1ucn s SER 144 Cb -0.15 -2.61 1.41 0.00 -1.71 0.00 0.00 66.02 62.96 1ucn s SER 144 CO 0.02 -0.64 1.87 0.00 1.20 0.00 0.00 173.24 175.69 1ucn n ALA 146 N -1.88 2.60 -0.30 0.00 0.00 -1.26 -4.66 120.51 115.01 1ucn n ALA 146 Ca -0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 53.44 52.81 1ucn n ALA 146 Cb 0.13 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 1ucn n ALA 146 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ucn n GLN 147 N 0.74 -0.25 0.20 0.00 -0.06 -0.18 0.06 117.38 117.88 1ucn n GLN 147 Ca 0.15 1.12 0.14 0.00 -2.00 0.00 0.00 57.00 56.42 1ucn n GLN 147 Cb 0.49 -1.65 0.62 0.00 -4.06 0.00 0.00 30.24 25.64 1ucn n GLN 147 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 1ucn h ASN 148 N 0.00 0.00 0.08 1.69 2.35 -1.83 -1.26 115.58 116.61 1ucn h ASN 148 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1ucn h ASN 148 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1ucn h ASN 148 CO -0.71 0.00 -0.61 0.79 -1.65 0.00 0.00 177.43 175.25 1ucn n TRP 149 N -2.56 0.00 -0.10 1.19 7.02 0.11 -4.26 117.44 118.85 1ucn n TRP 149 Ca 0.01 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.37 1ucn n TRP 149 Cb 0.21 -0.04 -0.12 0.00 -2.42 0.00 0.00 31.31 28.94 1ucn n TRP 149 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1ucn n ILE 150 N -0.71 1.23 -4.84 -0.99 5.41 -0.80 -4.98 119.36 113.69 1ucn n ILE 150 Ca 0.08 -0.62 -0.26 0.00 1.00 0.00 0.00 62.75 62.95 1ucn n ILE 150 Cb 0.40 -0.89 -0.15 0.00 -0.71 0.00 0.00 39.64 38.29 1ucn n ILE 150 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1ucn s TYR 151 N -2.43 1.72 -2.33 1.39 2.02 -0.53 -5.07 117.35 112.11 1ucn s TYR 151 Ca -0.19 -0.34 0.29 0.00 -0.37 0.00 0.00 57.07 56.47 1ucn s TYR 151 Cb 0.06 -1.08 1.34 0.00 -0.40 0.00 0.00 41.96 41.88 1ucn s TYR 151 CO 0.62 0.00 1.91 -0.85 -1.57 0.00 0.00 175.55 175.66