#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 -8.21 -1.36 0.00 5.15 -1.26 -3.96 115.26 105.61 1ucn n ASN 3 Ca 0.00 1.36 0.00 0.00 -0.60 0.00 0.00 54.58 55.34 1ucn n ASN 3 Cb 0.00 -4.76 0.26 0.00 -0.53 0.00 0.00 39.78 34.75 1ucn n ASN 3 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ucn n GLU 5 N -0.54 1.54 -4.67 0.00 2.13 -1.26 -4.59 120.64 113.25 1ucn n GLU 5 Ca 0.32 0.55 -0.30 0.00 0.66 0.00 0.00 57.16 58.39 1ucn n GLU 5 Cb 1.11 -2.12 -0.09 0.00 0.27 0.00 0.00 31.44 30.61 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 -2.00 2.06 -0.02 5.31 0.52 -1.26 -0.35 118.95 123.21 1ucn s ARG 6 Ca 0.62 -2.27 -0.30 0.00 -0.52 0.00 0.00 55.73 53.26 1ucn s ARG 6 Cb -0.56 -1.41 0.07 0.00 0.52 0.00 0.00 34.95 33.57 1ucn s ARG 6 CO 0.58 -0.28 0.68 -0.08 0.02 0.00 0.00 175.30 176.22 1ucn s THR 7 N -2.90 0.00 -0.14 0.02 -1.32 -0.36 -4.51 115.64 106.43 1ucn s THR 7 Ca 0.18 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.56 1ucn s THR 7 Cb 0.04 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.99 1ucn s THR 7 CO 0.09 0.00 0.20 0.12 -2.21 0.00 0.00 174.62 172.82 1ucn s PHE 8 N -1.61 3.52 -0.02 9.09 5.36 -1.26 -1.58 117.98 131.47 1ucn s PHE 8 Ca -0.09 0.53 0.00 0.00 -0.96 0.00 0.00 56.93 56.41 1ucn s PHE 8 Cb -0.00 -2.13 0.02 0.00 -0.34 0.00 0.00 43.02 40.56 1ucn s PHE 8 CO 0.06 0.47 0.01 0.42 -1.46 0.00 0.00 175.22 174.72 1ucn s ILE 9 N -0.26 0.07 -0.01 3.12 -1.09 -0.42 -1.27 121.20 121.34 1ucn s ILE 9 Ca 0.14 0.10 0.05 0.00 -2.23 0.00 0.00 60.65 58.71 1ucn s ILE 9 Cb -0.12 -0.16 -0.01 0.00 -1.58 0.00 0.00 42.46 40.59 1ucn s ILE 9 CO 0.03 0.09 -0.17 0.00 -1.23 0.00 0.00 174.94 173.66 1ucn s ALA 10 N 0.76 1.43 -0.50 9.38 0.00 0.23 -0.18 121.76 132.88 1ucn s ALA 10 Ca -0.07 -0.74 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 1ucn s ALA 10 Cb -0.10 -0.37 0.07 0.00 0.00 0.00 0.00 23.12 22.72 1ucn s ALA 10 CO -0.02 0.35 0.56 0.42 0.00 0.00 0.00 175.76 177.07 1ucn s ILE 11 N -0.38 4.98 1.08 0.00 1.01 0.32 -1.72 121.20 126.49 1ucn s ILE 11 Ca 0.06 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.87 1ucn s ILE 11 Cb -0.07 -4.26 0.16 0.00 0.01 0.00 0.00 42.46 38.30 1ucn s ILE 11 CO -0.01 -0.76 0.59 0.29 0.00 0.00 0.00 174.94 175.06 1ucn n LYS 12 N 5.88 -1.50 -0.20 2.79 5.02 -0.52 -2.13 118.16 127.50 1ucn n LYS 12 Ca -0.09 -0.40 0.17 0.00 -2.02 0.00 0.00 58.31 55.97 1ucn n LYS 12 Cb 0.45 -1.99 0.50 0.00 -0.02 0.00 0.00 35.03 33.97 1ucn n LYS 12 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1ucn h PRO 13 N -2.17 0.41 -0.09 1.97 0.11 -1.83 -1.44 132.00 128.97 1ucn h PRO 13 Ca -0.53 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.36 1ucn h PRO 13 Cb 1.32 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ucn h PRO 13 CO 0.42 0.27 -0.75 0.38 -0.21 0.00 0.00 178.00 178.11 1ucn h ASP 14 N 0.42 0.56 -0.63 -2.05 2.03 -1.89 -0.41 116.42 114.46 1ucn h ASP 14 Ca 0.41 -0.37 -0.03 0.00 -0.73 0.00 0.00 57.03 56.31 1ucn h ASP 14 Cb 0.96 -0.17 -0.03 0.00 -0.83 0.00 0.00 39.33 39.27 1ucn h ASP 14 CO -0.14 1.13 0.29 1.23 -1.03 0.00 0.00 179.24 180.72 1ucn h GLY 15 N 1.16 1.00 0.70 7.15 0.00 -1.43 0.16 103.07 111.80 1ucn h GLY 15 Ca -0.04 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 1ucn h GLY 15 CO 0.13 0.47 -0.25 -2.08 0.00 0.00 0.00 176.54 174.81 1ucn h VAL 16 N 0.93 1.40 -0.45 4.60 2.07 -1.31 -1.07 116.25 122.42 1ucn h VAL 16 Ca 0.22 -1.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.14 1ucn h VAL 16 Cb 0.13 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1ucn h VAL 16 CO -0.03 0.45 0.15 1.56 0.02 0.00 0.00 177.57 179.73 1ucn h GLN 17 N -0.12 0.65 -0.78 1.57 1.08 -0.71 -2.51 115.11 114.29 1ucn h GLN 17 Ca -0.00 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.01 1ucn h GLN 17 Cb 0.86 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 28.12 1ucn h GLN 17 CO 0.05 0.56 0.11 0.54 -0.95 0.00 0.00 178.83 179.15 1ucn n ARG 18 N -4.34 3.31 -3.90 1.46 1.74 0.54 -4.94 116.66 110.53 1ucn n ARG 18 Ca 0.03 -2.19 -0.24 0.00 -0.77 0.00 0.00 57.85 54.68 1ucn n ARG 18 Cb 0.17 -1.99 -0.01 0.00 -1.02 0.00 0.00 32.46 29.61 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 0.18 -0.23 0.71 -0.13 0.00 -0.95 -4.91 105.19 99.86 1ucn n GLY 19 Ca 0.25 0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.47 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 -4.37 3.08 0.20 0.99 4.77 -0.41 -4.69 117.00 116.57 1ucn n LEU 20 Ca -0.31 -2.08 -0.15 0.00 -0.03 0.00 0.00 56.01 53.44 1ucn n LEU 20 Cb 0.69 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 1ucn n LEU 20 CO 0.74 0.74 0.71 0.58 -1.33 0.00 0.00 177.39 178.83 1ucn h VAL 21 N 2.16 0.68 -0.13 4.08 2.07 -1.89 -1.44 116.25 121.78 1ucn h VAL 21 Ca 0.00 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1ucn h VAL 21 Cb 0.81 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1ucn h VAL 21 CO 0.02 0.03 -0.05 1.23 0.02 0.00 0.00 177.57 178.82 1ucn h GLY 22 N -0.53 0.07 0.61 2.17 0.00 -1.96 -1.27 103.07 102.15 1ucn h GLY 22 Ca -0.05 0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.43 1ucn h GLY 22 CO 0.08 -0.07 0.48 0.83 0.00 0.00 0.00 176.54 177.86 1ucn h GLU 23 N -0.03 0.82 -0.08 4.80 4.39 -1.85 -0.09 114.58 122.54 1ucn h GLU 23 Ca 0.07 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1ucn h GLU 23 Cb 0.14 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1ucn h GLU 23 CO -0.15 0.54 -0.01 0.82 -1.16 0.00 0.00 179.01 179.05 1ucn h ILE 24 N 0.84 1.27 -0.91 3.13 2.04 -0.93 -2.63 117.51 120.32 1ucn h ILE 24 Ca 0.38 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.39 1ucn h ILE 24 Cb 0.28 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 1ucn h ILE 24 CO -0.21 0.24 0.60 0.40 0.00 0.00 0.00 178.15 179.18 1ucn h ILE 25 N -0.16 1.20 -0.42 -0.67 2.04 -0.93 -2.02 117.51 116.56 1ucn h ILE 25 Ca 0.02 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1ucn h ILE 25 Cb 0.39 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 1ucn h ILE 25 CO 0.01 0.22 0.28 0.50 0.00 0.00 0.00 178.15 179.16 1ucn h LYS 26 N 1.20 0.51 -0.15 2.37 3.64 -0.92 -1.99 116.57 121.24 1ucn h LYS 26 Ca 0.35 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1ucn h LYS 26 Cb -0.09 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1ucn h LYS 26 CO -0.09 0.34 -0.25 0.00 -2.27 0.00 0.00 179.45 177.18 1ucn h ARG 27 N 0.53 0.27 0.21 1.90 3.08 -0.99 -0.33 114.38 119.05 1ucn h ARG 27 Ca 0.16 -0.09 -0.32 0.00 0.07 0.00 0.00 59.98 59.81 1ucn h ARG 27 Cb -0.00 -0.02 0.03 0.00 0.08 0.00 0.00 29.97 30.05 1ucn h ARG 27 CO -0.04 0.50 -1.40 0.74 -1.07 0.00 0.00 179.97 178.70 1ucn h PHE 28 N 0.24 0.80 0.12 3.04 -1.00 -1.38 -2.87 116.94 115.90 1ucn h PHE 28 Ca 0.04 -0.58 -0.01 0.00 2.81 0.00 0.00 57.97 60.23 1ucn h PHE 28 Cb 0.57 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.10 1ucn h PHE 28 CO 0.01 1.46 -0.06 0.93 -1.61 0.00 0.00 178.31 179.04 1ucn h GLU 29 N 0.12 -0.16 0.00 1.51 5.08 -1.19 -2.52 114.58 117.42 1ucn h GLU 29 Ca -0.21 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1ucn h GLU 29 Cb 2.10 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.38 1ucn h GLU 29 CO 0.25 0.01 -0.08 -0.56 -1.00 0.00 0.00 179.01 177.64 1ucn h GLN 30 N -0.31 0.00 -0.16 2.33 3.07 -1.17 -1.05 115.11 117.83 1ucn h GLN 30 Ca -0.02 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.61 1ucn h GLN 30 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.80 1ucn h GLN 30 CO 0.03 0.08 -0.42 -0.22 0.09 0.00 0.00 178.83 178.39 1ucn h LYS 31 N 0.00 0.36 0.00 0.06 1.63 -1.23 -3.47 116.57 113.92 1ucn h LYS 31 Ca -0.00 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1ucn h LYS 31 Cb 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1ucn h LYS 31 CO 0.01 0.72 0.00 0.41 -3.45 0.00 0.00 179.45 177.14 1ucn n GLY 32 N -0.10 1.14 3.80 5.01 0.00 -0.40 -5.10 105.19 109.54 1ucn n GLY 32 Ca -0.02 0.00 -0.33 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 3.01 -0.15 1.61 0.08 -1.00 -5.00 117.98 114.53 1ucn s PHE 33 Ca 0.00 1.52 -0.05 0.00 0.12 0.00 0.00 56.93 58.52 1ucn s PHE 33 Cb 0.00 -3.01 -0.03 0.00 -0.57 0.00 0.00 43.02 39.41 1ucn s PHE 33 CO 0.00 -1.05 0.02 0.50 -0.10 0.00 0.00 175.22 174.59 1ucn s ARG 34 N -3.95 3.62 -0.08 0.44 3.52 -0.59 -4.50 118.95 117.41 1ucn s ARG 34 Ca 0.64 -0.40 -0.30 0.00 -0.13 0.00 0.00 55.73 55.54 1ucn s ARG 34 Cb -0.16 -3.02 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1ucn s ARG 34 CO 0.34 0.40 1.08 -1.17 -0.81 0.00 0.00 175.30 175.14 1ucn s LEU 35 N -0.01 4.27 -0.03 -0.88 0.20 -1.26 -0.72 118.68 120.24 1ucn s LEU 35 Ca 0.04 1.65 0.05 0.00 0.69 0.00 0.00 54.13 56.56 1ucn s LEU 35 Cb -0.13 -3.56 -0.07 0.00 -0.43 0.00 0.00 46.19 42.01 1ucn s LEU 35 CO 0.02 -0.49 0.06 1.33 -0.29 0.00 0.00 176.35 176.98 1ucn n VAL 36 N 4.53 0.17 -3.77 1.68 0.24 -0.38 -4.93 118.33 115.87 1ucn n VAL 36 Ca 0.09 -0.16 -0.13 0.00 -2.04 0.00 0.00 64.34 62.11 1ucn n VAL 36 Cb 0.48 -0.28 -0.12 0.00 -1.47 0.00 0.00 33.84 32.45 1ucn n VAL 36 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ucn s GLY 37 N -3.12 -0.16 -0.12 7.63 0.00 -1.17 -0.57 107.32 109.81 1ucn s GLY 37 Ca -0.02 0.75 -0.04 0.00 0.00 0.00 0.00 44.72 45.41 1ucn s GLY 37 CO 0.20 0.77 0.24 -2.27 0.00 0.00 0.00 173.10 172.04 1ucn s LEU 38 N 0.46 -0.25 -0.03 0.66 2.96 -1.26 -1.16 118.68 120.07 1ucn s LEU 38 Ca -0.03 0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 54.37 1ucn s LEU 38 Cb -0.04 0.60 0.02 0.00 0.50 0.00 0.00 46.19 47.27 1ucn s LEU 38 CO -0.02 -0.25 0.05 -0.75 -1.32 0.00 0.00 176.35 174.06 1ucn s LYS 39 N 2.39 0.01 -0.30 1.98 2.20 0.57 -4.99 119.74 121.60 1ucn s LYS 39 Ca 0.02 0.18 -0.09 0.00 -0.36 0.00 0.00 55.97 55.72 1ucn s LYS 39 Cb -0.12 -0.15 -0.00 0.00 -1.51 0.00 0.00 37.83 36.04 1ucn s LYS 39 CO -0.08 -0.12 0.13 0.12 -0.36 0.00 0.00 175.35 175.04 1ucn s PHE 40 N 0.75 3.16 0.23 4.03 5.36 -1.26 0.58 117.98 130.83 1ucn s PHE 40 Ca -0.06 -0.68 -0.01 0.00 -0.96 0.00 0.00 56.93 55.22 1ucn s PHE 40 Cb -0.09 -2.32 0.00 0.00 -0.34 0.00 0.00 43.02 40.28 1ucn s PHE 40 CO -0.03 -0.48 0.32 0.00 -1.46 0.00 0.00 175.22 173.57 1ucn n MET 41 N 4.95 0.46 -3.87 10.12 0.00 -0.46 -4.96 117.12 123.36 1ucn n MET 41 Ca -0.14 -1.84 -0.29 0.00 0.00 0.00 0.00 57.70 55.43 1ucn n MET 41 Cb 0.49 1.77 -0.12 0.00 0.00 0.00 0.00 33.22 35.36 1ucn n MET 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1ucn s GLN 42 N -2.53 2.20 -0.05 3.17 2.00 -1.26 0.59 119.66 123.77 1ucn s GLN 42 Ca 0.19 -3.04 -0.36 0.00 -2.00 0.00 0.00 55.36 50.15 1ucn s GLN 42 Cb -0.01 -3.23 -0.14 0.00 0.80 0.00 0.00 33.01 30.44 1ucn s GLN 42 CO 0.14 -1.25 1.67 0.00 -0.50 0.00 0.00 175.29 175.36 1ucn n ALA 43 N 2.36 0.32 -1.67 1.58 0.00 -1.26 -4.96 120.51 116.88 1ucn n ALA 43 Ca 0.16 0.39 -0.33 0.00 0.00 0.00 0.00 53.44 53.67 1ucn n ALA 43 Cb 0.35 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 17.50 1ucn n ALA 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ucn s SER 44 N 2.56 5.77 0.32 0.00 1.04 -1.26 -4.59 113.70 117.54 1ucn s SER 44 Ca 0.90 1.86 0.03 0.00 0.48 0.00 0.00 55.95 59.21 1ucn s SER 44 Cb -0.84 -2.54 0.61 0.00 0.10 0.00 0.00 66.02 63.34 1ucn s SER 44 CO 0.52 -1.17 1.91 -0.33 0.98 0.00 0.00 173.24 175.14 1ucn h GLU 45 N 0.53 0.91 -0.19 4.02 5.08 -1.92 0.91 114.58 123.92 1ucn h GLU 45 Ca -0.47 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1ucn h GLU 45 Cb 1.22 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1ucn h GLU 45 CO 0.57 0.60 0.10 -0.44 -1.00 0.00 0.00 179.01 178.84 1ucn h ASP 46 N 0.93 0.16 -0.14 1.42 3.45 -1.99 0.75 116.42 121.00 1ucn h ASP 46 Ca 0.39 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.86 1ucn h ASP 46 Cb 0.30 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 1ucn h ASP 46 CO -0.16 0.12 0.08 0.25 -1.57 0.00 0.00 179.24 177.97 1ucn h LEU 47 N 0.21 0.14 0.10 1.55 5.85 -1.60 -1.97 115.31 119.60 1ucn h LEU 47 Ca 0.07 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1ucn h LEU 47 Cb 0.01 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1ucn h LEU 47 CO -0.04 0.10 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.04 1ucn h LEU 48 N 0.18 -0.11 -0.88 2.25 3.38 -0.43 -0.82 115.31 118.87 1ucn h LEU 48 Ca 0.05 -0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.09 1ucn h LEU 48 Cb -0.01 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 1ucn h LEU 48 CO -0.02 -0.00 0.49 0.11 0.09 0.00 0.00 178.44 179.10 1ucn h LYS 49 N -0.21 0.72 -0.36 1.13 1.57 0.60 0.17 116.57 120.19 1ucn h LYS 49 Ca -0.01 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1ucn h LYS 49 Cb 0.17 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1ucn h LYS 49 CO 0.02 0.48 -0.22 1.49 -0.57 0.00 0.00 179.45 180.65 1ucn h GLU 50 N 0.74 0.79 -0.83 3.15 4.57 -1.18 -2.84 114.58 118.98 1ucn h GLU 50 Ca 0.46 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1ucn h GLU 50 Cb 0.56 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.10 1ucn h GLU 50 CO -0.31 0.99 0.53 1.25 -1.18 0.00 0.00 179.01 180.29 1ucn h HIS 51 N 0.58 1.07 -0.99 0.92 2.76 0.18 -2.86 115.15 116.81 1ucn h HIS 51 Ca 0.08 0.01 -0.67 0.00 -2.20 0.00 0.00 60.37 57.59 1ucn h HIS 51 Cb 0.78 -0.36 -0.30 0.00 1.55 0.00 0.00 27.41 29.09 1ucn h HIS 51 CO 0.06 0.69 0.81 0.66 -1.30 0.00 0.00 177.93 178.85 1ucn n TYR 52 N -4.48 3.22 -0.35 5.26 4.01 -0.08 -4.73 117.16 120.01 1ucn n TYR 52 Ca 0.09 -2.98 -0.01 0.00 -0.16 0.00 0.00 57.90 54.83 1ucn n TYR 52 Cb 0.03 -1.41 0.14 0.00 -0.31 0.00 0.00 39.34 37.79 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 1.04 1.24 0.00 -0.72 3.04 -1.26 -2.36 116.25 117.24 1ucn h VAL 53 Ca 0.60 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 65.85 1ucn h VAL 53 Cb 0.89 -0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.00 1ucn h VAL 53 CO 1.56 0.24 0.00 0.47 -1.01 0.00 0.00 177.57 178.82 1ucn n ASP 54 N -4.39 0.33 -0.38 3.17 10.43 -1.26 -1.75 116.55 122.70 1ucn n ASP 54 Ca 0.11 0.62 0.04 0.00 2.57 0.00 0.00 54.79 58.13 1ucn n ASP 54 Cb 0.02 -0.68 0.10 0.00 1.84 0.00 0.00 41.12 42.40 1ucn n ASP 54 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1ucn n LEU 55 N -1.91 2.60 -0.16 0.64 4.77 -0.90 -4.73 117.00 117.31 1ucn n LEU 55 Ca 0.01 -2.12 0.28 0.00 -0.03 0.00 0.00 56.01 54.14 1ucn n LEU 55 Cb 0.09 -0.17 0.72 0.00 -2.33 0.00 0.00 43.42 41.73 1ucn n LEU 55 CO 0.10 0.64 1.26 0.07 -1.33 0.00 0.00 177.39 178.12 1ucn h LYS 56 N 1.11 0.00 -0.01 3.23 2.10 -1.26 -1.38 116.57 120.35 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 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1ucn h LYS 56 CO 0.02 0.00 -0.36 -0.25 -2.00 0.00 0.00 179.45 176.85 1ucn n ASP 57 N -4.19 1.73 -4.77 7.07 8.00 -1.26 -4.87 116.55 118.25 1ucn n ASP 57 Ca 0.18 -1.33 -0.40 0.00 0.71 0.00 0.00 54.79 53.95 1ucn n ASP 57 Cb 0.96 0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 42.37 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 -2.45 4.11 0.41 -1.24 1.81 -0.52 -4.90 118.95 116.16 1ucn s ARG 58 Ca 0.22 2.15 0.16 0.00 -1.72 0.00 0.00 55.73 56.54 1ucn s ARG 58 Cb 0.19 -2.86 1.05 0.00 -0.45 0.00 0.00 34.95 32.88 1ucn s ARG 58 CO 0.53 -0.38 1.85 -1.35 -0.68 0.00 0.00 175.30 175.28 1ucn h PRO 59 N 2.91 0.43 -0.02 3.54 0.11 -1.93 -0.48 132.00 136.56 1ucn h PRO 59 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ucn h PRO 59 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ucn h PRO 59 CO 0.63 0.29 0.00 -2.67 -0.21 0.00 0.00 178.00 176.04 1ucn n TRP 60 N -4.53 0.01 -0.06 0.65 4.27 -1.26 -4.48 117.44 112.04 1ucn n TRP 60 Ca 0.19 -0.01 -0.09 0.00 -3.89 0.00 0.00 57.50 53.70 1ucn n TRP 60 Cb 0.67 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.59 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 2.55 -0.93 -0.75 -2.67 3.57 -1.32 -0.14 116.94 117.24 1ucn h PHE 61 Ca 0.00 0.05 0.15 0.00 3.53 0.00 0.00 57.97 61.69 1ucn h PHE 61 Cb 0.54 0.45 -0.05 0.00 2.79 0.00 0.00 35.95 39.68 1ucn h PHE 61 CO 0.01 -0.40 0.50 0.00 -2.23 0.00 0.00 178.31 176.19 1ucn h ALA 62 N 0.55 2.10 -0.20 2.41 0.00 -1.79 -0.85 119.26 121.49 1ucn h ALA 62 Ca 0.13 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 1ucn h ALA 62 Cb 0.55 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ucn h ALA 62 CO -0.45 -0.30 -0.60 0.78 0.00 0.00 0.00 179.25 178.68 1ucn h GLY 63 N 0.42 0.83 0.90 0.00 0.00 -1.39 -2.54 103.07 101.29 1ucn h GLY 63 Ca 0.36 -1.07 0.02 0.00 0.00 0.00 0.00 47.33 46.65 1ucn h GLY 63 CO -0.12 0.96 0.43 -2.00 0.00 0.00 0.00 176.54 175.81 1ucn h LEU 64 N 0.48 0.71 -0.33 3.11 5.85 0.24 -0.36 115.31 125.01 1ucn h LEU 64 Ca -0.02 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1ucn h LEU 64 Cb 1.22 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1ucn h LEU 64 CO 0.13 0.50 -0.08 0.58 -0.34 0.00 0.00 178.44 179.22 1ucn h VAL 65 N 0.84 1.28 -0.29 1.05 2.07 -1.37 -0.71 116.25 119.13 1ucn h VAL 65 Ca 0.26 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1ucn h VAL 65 Cb -0.01 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1ucn h VAL 65 CO -0.09 0.37 0.19 0.50 0.02 0.00 0.00 177.57 178.55 1ucn h LYS 66 N 0.41 0.38 0.23 1.57 3.64 -1.17 -1.79 116.57 119.84 1ucn h LYS 66 Ca 0.08 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1ucn h LYS 66 Cb 0.58 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1ucn h LYS 66 CO 0.03 0.26 -0.11 -0.92 -2.27 0.00 0.00 179.45 176.44 1ucn h TYR 67 N 0.38 -0.29 0.00 1.91 3.20 -1.01 -0.42 116.97 120.74 1ucn h TYR 67 Ca 0.10 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1ucn h TYR 67 Cb -0.03 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.34 1ucn h TYR 67 CO -0.05 -0.09 0.00 0.52 -1.64 0.00 0.00 178.16 176.90 1ucn h MET 68 N -0.43 0.00 0.00 1.82 2.86 -1.06 -1.33 114.93 116.79 1ucn h MET 68 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1ucn h MET 68 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1ucn h MET 68 CO 0.05 0.00 -1.36 1.58 1.06 0.00 0.00 176.91 178.24 1ucn n HIS 69 N -2.88 0.10 0.29 -0.22 -0.00 -0.68 -4.33 115.22 107.51 1ucn n HIS 69 Ca -0.02 0.03 0.14 0.00 -0.00 0.00 0.00 57.72 57.87 1ucn n HIS 69 Cb 0.09 -0.33 0.67 0.00 -0.00 0.00 0.00 29.99 30.42 1ucn n HIS 69 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1ucn h SER 70 N 0.00 0.00 -5.01 0.26 4.64 0.13 -3.46 113.55 110.12 1ucn h SER 70 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1ucn h SER 70 Cb 0.76 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.76 1ucn h SER 70 CO 0.00 0.00 0.20 -0.83 -0.87 0.00 0.00 176.83 175.33 1ucn s GLY 71 N -3.75 -0.32 0.75 -0.77 0.00 -1.26 -5.11 107.32 96.86 1ucn s GLY 71 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 44.72 44.62 1ucn s GLY 71 CO 0.36 0.00 1.21 2.56 0.00 0.00 0.00 173.10 177.23 1ucn s PRO 72 N -3.84 2.02 0.35 2.90 0.04 -1.26 -4.66 135.00 130.55 1ucn s PRO 72 Ca 0.07 1.77 0.04 0.00 0.04 0.00 0.00 61.00 62.91 1ucn s PRO 72 Cb -0.03 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1ucn s PRO 72 CO -0.03 -1.93 0.13 0.14 0.04 0.00 0.00 177.00 175.36 1ucn s VAL 73 N -2.00 0.57 -0.27 -0.36 -7.23 0.20 -3.89 120.40 107.41 1ucn s VAL 73 Ca 0.74 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 1ucn s VAL 73 Cb -0.29 -2.49 0.07 0.00 0.56 0.00 0.00 36.38 34.23 1ucn s VAL 73 CO 0.46 0.00 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.53 1ucn s VAL 74 N -3.40 1.81 0.09 1.32 1.01 -0.91 -1.35 120.40 118.97 1ucn s VAL 74 Ca 0.31 -1.60 -0.22 0.00 0.00 0.00 0.00 61.98 60.47 1ucn s VAL 74 Cb 0.05 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.25 1ucn s VAL 74 CO 0.16 -0.24 0.66 0.00 0.00 0.00 0.00 175.10 175.68 1ucn s ALA 75 N 1.23 3.51 0.05 5.51 0.00 0.20 -0.52 121.76 131.74 1ucn s ALA 75 Ca -0.02 0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.05 1ucn s ALA 75 Cb -0.19 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.13 1ucn s ALA 75 CO -0.08 0.30 0.11 -1.64 0.00 0.00 0.00 175.76 174.46 1ucn s MET 76 N -0.91 0.67 -0.07 0.00 -1.94 0.75 -0.32 119.30 117.49 1ucn s MET 76 Ca 0.32 -0.87 0.01 0.00 -1.71 0.00 0.00 55.69 53.44 1ucn s MET 76 Cb -0.21 0.26 0.02 0.00 2.01 0.00 0.00 34.83 36.92 1ucn s MET 76 CO 0.22 -0.18 -0.06 0.08 -0.01 0.00 0.00 175.02 175.07 1ucn s VAL 77 N -3.15 0.70 0.04 -6.03 1.01 -0.31 -1.30 120.40 111.37 1ucn s VAL 77 Ca -0.00 -0.17 0.09 0.00 0.00 0.00 0.00 61.98 61.89 1ucn s VAL 77 Cb 0.02 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1ucn s VAL 77 CO -0.07 0.28 -0.25 0.26 0.00 0.00 0.00 175.10 175.32 1ucn s TRP 78 N 1.20 2.35 -0.02 5.22 0.52 -0.62 -1.25 118.94 126.34 1ucn s TRP 78 Ca -0.06 -0.40 0.06 0.00 0.02 0.00 0.00 56.10 55.72 1ucn s TRP 78 Cb -0.14 -1.41 -0.02 0.00 -1.15 0.00 0.00 33.47 30.74 1ucn s TRP 78 CO -0.02 0.12 -0.19 -2.00 0.02 0.00 0.00 176.95 174.88 1ucn s GLU 79 N -1.18 2.28 0.00 4.98 2.12 0.10 -1.22 118.70 125.77 1ucn s GLU 79 Ca 0.12 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.61 1ucn s GLU 79 Cb -0.10 -2.22 0.00 0.00 0.26 0.00 0.00 34.13 32.07 1ucn s GLU 79 CO 0.02 0.59 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 1ucn n GLY 80 N 2.21 2.83 3.68 -1.50 0.00 0.52 -1.55 105.19 111.38 1ucn n GLY 80 Ca -0.17 -0.94 -0.46 0.00 0.00 0.00 0.00 46.02 44.45 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 3.65 -1.83 0.99 0.00 -1.25 -1.70 117.00 116.86 1ucn n LEU 81 Ca 0.00 0.96 -0.19 0.00 0.00 0.00 0.00 56.01 56.78 1ucn n LEU 81 Cb 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 43.42 41.94 1ucn n LEU 81 CO 0.00 0.01 -0.20 0.59 0.00 0.00 0.00 177.39 177.79 1ucn n ASN 82 N 6.72 -5.18 -0.09 1.96 5.03 -1.26 -4.86 115.26 117.59 1ucn n ASN 82 Ca 0.22 0.33 0.25 0.00 0.87 0.00 0.00 54.58 56.25 1ucn n ASN 82 Cb 0.33 -4.52 0.72 0.00 -1.02 0.00 0.00 39.78 35.29 1ucn n ASN 82 CO 0.00 0.00 0.00 1.62 -1.83 0.00 0.00 177.26 177.05 1ucn h VAL 83 N 0.00 0.55 0.07 2.41 3.04 -1.61 0.12 116.25 120.82 1ucn h VAL 83 Ca -0.41 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1ucn h VAL 83 Cb 1.27 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 1ucn h VAL 83 CO 0.56 0.00 -0.03 0.58 -1.01 0.00 0.00 177.57 177.67 1ucn h VAL 84 N 0.00 1.22 -0.20 1.51 2.07 -1.85 0.12 116.25 119.13 1ucn h VAL 84 Ca 0.34 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 1ucn h VAL 84 Cb 1.45 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1ucn h VAL 84 CO -0.00 0.29 -0.11 0.50 0.02 0.00 0.00 177.57 178.26 1ucn h LYS 85 N -0.65 0.42 -0.47 1.57 3.64 -1.71 -2.54 116.57 116.83 1ucn h LYS 85 Ca -0.01 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.07 1ucn h LYS 85 Cb 0.54 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1ucn h LYS 85 CO 0.02 0.73 -0.13 1.15 -2.27 0.00 0.00 179.45 178.94 1ucn h THR 86 N 0.11 1.26 -0.58 1.00 2.02 -0.90 -2.57 112.91 113.25 1ucn h THR 86 Ca 0.04 -1.25 0.06 0.00 0.77 0.00 0.00 66.41 66.03 1ucn h THR 86 Cb 0.61 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 1ucn h THR 86 CO 0.03 0.43 0.30 1.23 0.37 0.00 0.00 175.52 177.88 1ucn h GLY 87 N 0.96 0.83 0.64 2.16 0.00 -0.71 -0.15 103.07 106.81 1ucn h GLY 87 Ca 0.12 -0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.33 1ucn h GLY 87 CO 0.05 0.11 0.46 3.21 0.00 0.00 0.00 176.54 180.36 1ucn h ARG 88 N 0.56 0.79 -0.64 4.80 2.47 -1.08 -1.22 114.38 120.06 1ucn h ARG 88 Ca 0.26 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.90 1ucn h ARG 88 Cb 0.19 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 1ucn h ARG 88 CO -0.19 0.52 0.27 0.28 0.56 0.00 0.00 179.97 181.41 1ucn h VAL 89 N 0.81 1.23 -0.14 2.04 2.07 -0.89 -2.20 116.25 119.18 1ucn h VAL 89 Ca 0.36 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1ucn h VAL 89 Cb 0.24 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1ucn h VAL 89 CO -0.20 0.28 -0.20 0.24 0.02 0.00 0.00 177.57 177.71 1ucn h MET 90 N 0.90 0.23 0.04 1.57 2.86 -0.01 -2.92 114.93 117.60 1ucn h MET 90 Ca 0.22 -0.07 -0.27 0.00 -2.06 0.00 0.00 59.70 57.52 1ucn h MET 90 Cb 0.19 -0.03 0.02 0.00 0.06 0.00 0.00 31.60 31.84 1ucn h MET 90 CO -0.02 0.43 -1.09 -0.07 1.06 0.00 0.00 176.91 177.22 1ucn h LEU 91 N 0.21 0.79 0.00 1.22 4.07 -1.05 0.37 115.31 120.92 1ucn h LEU 91 Ca 0.04 -0.67 0.00 0.00 0.08 0.00 0.00 57.88 57.33 1ucn h LEU 91 Cb 0.48 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1ucn h LEU 91 CO 0.03 1.48 0.00 0.61 -1.08 0.00 0.00 178.44 179.48 1ucn n GLY 92 N 1.16 0.80 3.31 0.83 0.00 -0.85 -0.88 105.19 109.57 1ucn n GLY 92 Ca -0.11 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 1ucn n GLY 92 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ucn n GLU 93 N 1.16 -0.12 -0.25 1.61 -0.58 -1.26 -4.88 120.64 116.33 1ucn n GLU 93 Ca 0.00 -0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1ucn n GLU 93 Cb 0.00 -1.60 0.08 0.00 -0.57 0.00 0.00 31.44 29.35 1ucn n GLU 93 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1ucn h THR 94 N -1.20 1.07 -3.53 2.62 2.02 -1.95 -3.38 112.91 108.57 1ucn h THR 94 Ca -0.44 -0.28 -0.62 0.00 0.77 0.00 0.00 66.41 65.84 1ucn h THR 94 Cb 1.30 0.17 -0.12 0.00 -1.74 0.00 0.00 68.15 67.76 1ucn h THR 94 CO 0.33 0.15 0.10 0.21 0.37 0.00 0.00 175.52 176.68 1ucn s ASN 95 N -5.71 6.51 0.36 4.18 3.84 -1.26 -4.75 114.94 118.10 1ucn s ASN 95 Ca -0.13 0.55 0.10 0.00 0.21 0.00 0.00 52.86 53.60 1ucn s ASN 95 Cb 0.16 -2.32 0.86 0.00 -0.55 0.00 0.00 41.25 39.40 1ucn s ASN 95 CO 0.77 -0.38 1.84 -0.65 -2.79 0.00 0.00 177.10 175.88 1ucn h PRO 96 N 8.03 0.63 -0.28 0.43 0.11 -1.74 0.12 132.00 139.30 1ucn h PRO 96 Ca -0.27 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.88 1ucn h PRO 96 Cb 1.13 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1ucn h PRO 96 CO 0.77 0.42 0.28 0.00 -0.21 0.00 0.00 178.00 179.25 1ucn h ALA 97 N 1.61 2.00 -0.02 -0.75 0.00 -1.89 0.86 119.26 121.07 1ucn h ALA 97 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1ucn h ALA 97 Cb 0.88 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ucn h ALA 97 CO -0.24 -0.42 -0.30 -0.25 0.00 0.00 0.00 179.25 178.03 1ucn n ASP 98 N -3.91 2.31 -4.71 0.00 10.43 0.40 -4.94 116.55 116.14 1ucn n ASP 98 Ca 0.04 -1.66 -0.41 0.00 2.57 0.00 0.00 54.79 55.33 1ucn n ASP 98 Cb 0.43 0.31 -0.04 0.00 1.84 0.00 0.00 41.12 43.66 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 -2.24 7.24 0.47 -2.24 0.01 0.29 -4.60 113.70 112.63 1ucn s SER 99 Ca 0.21 1.49 -0.22 0.00 1.31 0.00 0.00 55.95 58.75 1ucn s SER 99 Cb 0.18 -2.51 -0.08 0.00 0.21 0.00 0.00 66.02 63.82 1ucn s SER 99 CO 0.46 -0.20 1.09 -0.54 0.41 0.00 0.00 173.24 174.46 1ucn s LYS 100 N 0.88 3.80 0.45 12.44 -0.14 -1.26 -4.41 119.74 131.49 1ucn s LYS 100 Ca 0.46 1.56 -0.25 0.00 -1.36 0.00 0.00 55.97 56.38 1ucn s LYS 100 Cb -0.20 -2.28 -0.09 0.00 -1.68 0.00 0.00 37.83 33.59 1ucn s LYS 100 CO 0.24 -0.46 1.35 -2.30 -0.76 0.00 0.00 175.35 173.42 1ucn n PRO 101 N -0.66 2.06 0.00 -1.68 -0.02 -1.26 -1.80 135.00 131.63 1ucn n PRO 101 Ca 0.08 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1ucn n PRO 101 Cb 0.50 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.70 2.07 3.89 -1.23 0.00 -1.26 -4.97 105.19 104.39 1ucn n GLY 102 Ca 0.06 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.79 4.16 0.09 2.61 -4.23 -0.74 -4.90 115.64 110.83 1ucn s THR 103 Ca 0.00 0.42 -0.21 0.00 -1.18 0.00 0.00 61.69 60.72 1ucn s THR 103 Cb 0.00 -3.66 -0.11 0.00 1.34 0.00 0.00 72.50 70.07 1ucn s THR 103 CO 0.00 -0.78 1.67 0.40 -0.54 0.00 0.00 174.62 175.36 1ucn h ILE 104 N -0.27 1.11 -0.27 2.99 2.04 -0.89 -1.30 117.51 120.93 1ucn h ILE 104 Ca -0.45 -0.31 -0.16 0.00 1.00 0.00 0.00 64.86 64.94 1ucn h ILE 104 Cb 1.23 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1ucn h ILE 104 CO 0.62 0.10 -0.46 0.03 0.00 0.00 0.00 178.15 178.44 1ucn h ARG 105 N 0.10 0.70 -0.81 2.37 3.08 -1.26 -2.08 114.38 116.47 1ucn h ARG 105 Ca 0.05 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 1ucn h ARG 105 Cb 0.10 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1ucn h ARG 105 CO -0.01 1.02 0.43 0.78 -1.07 0.00 0.00 179.97 181.12 1ucn h GLY 106 N 0.94 1.23 1.73 0.04 0.00 -1.70 -2.59 103.07 102.71 1ucn h GLY 106 Ca 0.03 -0.57 -0.24 0.00 0.00 0.00 0.00 47.33 46.55 1ucn h GLY 106 CO 0.10 0.55 -1.19 -0.55 0.00 0.00 0.00 176.54 175.44 1ucn h ASP 107 N 1.14 0.06 -0.00 0.19 3.32 -1.20 -3.42 116.42 116.51 1ucn h ASP 107 Ca 0.29 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1ucn h ASP 107 Cb 0.05 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1ucn h ASP 107 CO -0.04 1.06 -0.15 0.49 -1.72 0.00 0.00 179.24 178.88 1ucn n PHE 108 N -3.32 0.00 -4.13 4.55 3.72 -0.79 -5.07 117.46 112.42 1ucn n PHE 108 Ca -0.05 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.22 1ucn n PHE 108 Cb 0.97 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.45 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 -0.44 0.14 -3.72 0.00 5.41 -1.26 -4.74 119.36 114.75 1ucn n ILE 110 Ca 0.02 0.05 -0.35 0.00 1.00 0.00 0.00 62.75 63.46 1ucn n ILE 110 Cb 0.63 -1.45 -0.05 0.00 -0.71 0.00 0.00 39.64 38.05 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 -2.00 3.63 0.35 0.38 0.74 -1.26 -3.86 119.66 117.64 1ucn s GLN 111 Ca 0.00 0.01 0.04 0.00 0.05 0.00 0.00 55.36 55.46 1ucn s GLN 111 Cb 0.00 -3.10 0.69 0.00 1.10 0.00 0.00 33.01 31.70 1ucn s GLN 111 CO 0.00 0.66 1.98 -0.24 -0.55 0.00 0.00 175.29 177.14 1ucn h VAL 112 N 3.24 1.08 0.00 1.34 3.04 -1.95 -0.58 116.25 122.42 1ucn h VAL 112 Ca -0.51 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 64.90 1ucn h VAL 112 Cb 1.20 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1ucn h VAL 112 CO 0.64 0.15 0.00 0.61 -1.01 0.00 0.00 177.57 177.96 1ucn n GLY 113 N -1.44 -0.78 2.39 3.17 0.00 -1.26 -3.29 105.19 103.98 1ucn n GLY 113 Ca 0.09 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.08 0.98 -1.03 1.61 5.12 -0.25 -4.98 116.66 117.03 1ucn n ARG 114 Ca 0.15 -2.83 -0.21 0.00 -1.93 0.00 0.00 57.85 53.02 1ucn n ARG 114 Cb 0.10 -1.45 0.13 0.00 -1.16 0.00 0.00 32.46 30.08 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 0.36 4.49 0.00 0.55 6.94 -1.06 -4.38 115.26 122.16 1ucn n ASN 115 Ca 0.18 -3.35 0.00 0.00 -0.02 0.00 0.00 54.58 51.39 1ucn n ASN 115 Cb 0.67 -0.83 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 1ucn n ASN 115 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1ucn n ILE 116 N -0.73 0.00 -3.56 1.53 -5.35 -1.26 -4.73 119.36 105.25 1ucn n ILE 116 Ca 0.49 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.86 1ucn n ILE 116 Cb 1.25 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 39.11 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 -0.03 0.04 0.13 7.28 2.07 -1.26 -1.44 121.20 128.00 1ucn s ILE 117 Ca 0.00 -0.38 -0.15 0.00 -1.41 0.00 0.00 60.65 58.71 1ucn s ILE 117 Cb 0.00 -1.13 0.03 0.00 0.13 0.00 0.00 42.46 41.49 1ucn s ILE 117 CO 0.00 -0.19 0.40 -0.83 -1.91 0.00 0.00 174.94 172.41 1ucn s GLY 118 N -2.79 -0.19 0.00 1.50 0.00 -0.70 -4.89 107.32 100.25 1ucn s GLY 118 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1ucn s GLY 118 CO -0.12 -0.36 0.00 0.61 0.00 0.00 0.00 173.10 173.23 1ucn n GLY 119 N -0.23 4.40 3.85 0.20 0.00 -1.26 -0.60 105.19 111.54 1ucn n GLY 119 Ca -0.15 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 1ucn n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ucn s SER 120 N 1.25 6.74 0.14 1.61 0.01 -0.39 -4.91 113.70 118.15 1ucn s SER 120 Ca 0.00 0.89 0.11 0.00 1.31 0.00 0.00 55.95 58.26 1ucn s SER 120 Cb 0.00 -2.22 -0.13 0.00 0.21 0.00 0.00 66.02 63.88 1ucn s SER 120 CO 0.00 0.30 1.20 0.44 0.41 0.00 0.00 173.24 175.59 1ucn h ASP 121 N 4.52 0.00 -5.17 2.44 3.45 -1.92 -3.46 116.42 116.28 1ucn h ASP 121 Ca -0.51 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 56.91 1ucn h ASP 121 Cb 1.22 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 39.90 1ucn h ASP 121 CO 0.62 0.81 -0.05 -0.94 -1.57 0.00 0.00 179.24 178.12 1ucn s SER 122 N -6.46 -0.14 0.10 6.45 1.04 -1.26 -4.92 113.70 108.51 1ucn s SER 122 Ca 0.01 -0.79 -0.30 0.00 0.48 0.00 0.00 55.95 55.35 1ucn s SER 122 Cb 0.09 0.60 -0.12 0.00 0.10 0.00 0.00 66.02 66.69 1ucn s SER 122 CO 0.80 -1.14 1.62 0.58 0.98 0.00 0.00 173.24 176.08 1ucn h VAL 123 N 2.22 0.34 -0.10 5.02 2.07 -1.93 0.54 116.25 124.41 1ucn h VAL 123 Ca -0.26 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1ucn h VAL 123 Cb 1.25 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 1ucn h VAL 123 CO 0.34 0.00 -0.26 -0.08 0.02 0.00 0.00 177.57 177.60 1ucn h GLU 124 N -0.64 -0.33 -0.90 1.57 4.81 -1.98 0.23 114.58 117.35 1ucn h GLU 124 Ca -0.01 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1ucn h GLU 124 Cb 0.60 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.98 1ucn h GLU 124 CO -0.09 -0.22 0.58 0.77 -0.73 0.00 0.00 179.01 179.32 1ucn h SER 125 N -0.34 0.79 0.56 1.04 0.02 -1.91 -1.79 113.55 111.93 1ucn h SER 125 Ca 0.09 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1ucn h SER 125 Cb 0.48 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1ucn h SER 125 CO -0.30 0.46 -0.31 0.00 -1.14 0.00 0.00 176.83 175.54 1ucn h ALA 126 N 1.56 -0.82 -0.61 3.77 0.00 0.21 0.21 119.26 123.57 1ucn h ALA 126 Ca 0.42 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1ucn h ALA 126 Cb 0.44 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1ucn h ALA 126 CO -0.18 -0.97 0.32 0.93 0.00 0.00 0.00 179.25 179.35 1ucn h GLU 127 N -0.82 0.58 -0.25 0.00 4.39 -0.84 0.26 114.58 117.90 1ucn h GLU 127 Ca -0.07 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.62 1ucn h GLU 127 Cb 0.65 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1ucn h GLU 127 CO 0.09 0.39 0.10 -0.22 -1.16 0.00 0.00 179.01 178.21 1ucn h LYS 128 N 0.60 0.22 -0.57 2.33 3.64 -1.13 -1.44 116.57 120.22 1ucn h LYS 128 Ca 0.27 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.55 1ucn h LYS 128 Cb 0.18 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1ucn h LYS 128 CO -0.18 0.15 0.02 0.93 -2.27 0.00 0.00 179.45 178.10 1ucn h GLU 129 N 0.23 1.00 -0.23 1.90 5.08 0.10 -2.01 114.58 120.65 1ucn h GLU 129 Ca 0.11 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1ucn h GLU 129 Cb 0.06 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1ucn h GLU 129 CO -0.10 0.98 0.11 0.82 -1.00 0.00 0.00 179.01 179.82 1ucn h ILE 130 N 0.89 0.99 -0.71 3.13 2.04 -0.25 -1.39 117.51 122.20 1ucn h ILE 130 Ca 0.17 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1ucn h ILE 130 Cb 0.51 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1ucn h ILE 130 CO 0.02 0.04 0.47 1.23 0.00 0.00 0.00 178.15 179.92 1ucn h GLY 131 N 0.23 1.00 1.34 5.37 0.00 -1.13 0.81 103.07 110.69 1ucn h GLY 131 Ca 0.09 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1ucn h GLY 131 CO -0.07 0.34 0.01 -2.00 0.00 0.00 0.00 176.54 174.82 1ucn h LEU 132 N 0.93 0.77 0.03 3.11 5.85 -0.58 -3.31 115.31 122.10 1ucn h LEU 132 Ca 0.27 -0.18 -0.36 0.00 0.84 0.00 0.00 57.88 58.45 1ucn h LEU 132 Cb -0.05 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 1ucn h LEU 132 CO -0.07 0.83 -2.20 0.79 -0.34 0.00 0.00 178.44 177.45 1ucn n TRP 133 N -4.22 0.47 -4.63 1.25 7.02 -0.60 -4.98 117.44 111.75 1ucn n TRP 133 Ca 0.03 0.13 -0.32 0.00 -1.02 0.00 0.00 57.50 56.32 1ucn n TRP 133 Cb 0.30 -1.07 -0.12 0.00 -2.42 0.00 0.00 31.31 28.00 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 -2.54 2.70 0.00 -5.99 0.40 0.28 -5.10 117.98 107.73 1ucn s PHE 134 Ca -0.20 -0.17 -0.21 0.00 -0.60 0.00 0.00 56.93 55.76 1ucn s PHE 134 Cb 0.07 -1.54 -0.05 0.00 0.51 0.00 0.00 43.02 42.01 1ucn s PHE 134 CO 0.74 0.28 0.62 -1.01 0.70 0.00 0.00 175.22 176.55 1ucn s HIS 135 N -0.92 3.69 0.54 0.36 3.76 -1.26 -4.38 115.29 117.08 1ucn s HIS 135 Ca 0.15 1.24 0.40 0.00 -0.15 0.00 0.00 55.06 56.69 1ucn s HIS 135 Cb -0.11 -2.64 1.37 0.00 1.11 0.00 0.00 32.58 32.31 1ucn s HIS 135 CO 0.05 0.34 1.38 -2.30 -0.85 0.00 0.00 174.74 173.36 1ucn n PRO 136 N 2.73 0.00 -0.37 8.40 -0.02 -1.26 0.96 135.00 145.44 1ucn n PRO 136 Ca -0.06 1.00 0.01 0.00 -2.02 0.00 0.00 63.50 62.42 1ucn n PRO 136 Cb 0.51 -2.36 0.14 0.00 -0.02 0.00 0.00 33.50 31.77 1ucn n PRO 136 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ucn n GLU 137 N -3.57 2.34 -0.00 -0.52 0.00 -1.26 -3.51 120.64 114.12 1ucn n GLU 137 Ca 0.35 -1.20 0.00 0.00 0.00 0.00 0.00 57.16 56.31 1ucn n GLU 137 Cb 1.75 -1.74 -0.00 0.00 0.00 0.00 0.00 31.44 31.44 1ucn n GLU 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ucn n GLU 138 N 0.18 0.51 -2.75 3.44 1.02 0.27 -4.91 120.64 118.40 1ucn n GLU 138 Ca 0.13 -0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 1ucn n GLU 138 Cb 0.67 -0.97 -0.03 0.00 -0.02 0.00 0.00 31.44 31.09 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 -2.95 4.33 0.22 -4.62 1.43 -1.23 -4.59 118.68 111.26 1ucn s LEU 139 Ca -0.00 -1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 51.00 1ucn s LEU 139 Cb 0.00 -2.48 -0.10 0.00 0.03 0.00 0.00 46.19 43.64 1ucn s LEU 139 CO 0.01 -1.26 1.47 -0.69 0.23 0.00 0.00 176.35 176.11 1ucn s VAL 140 N 3.74 2.68 -0.12 -1.59 1.01 0.27 -4.98 120.40 121.40 1ucn s VAL 140 Ca 0.39 0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.92 1ucn s VAL 140 Cb -0.02 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1ucn s VAL 140 CO -0.09 0.07 -0.15 -0.62 0.00 0.00 0.00 175.10 174.31 1ucn s ASP 141 N 0.63 3.83 0.25 3.32 -1.08 -1.26 -4.58 116.67 117.79 1ucn s ASP 141 Ca 0.63 -0.37 -0.21 0.00 -0.52 0.00 0.00 52.55 52.08 1ucn s ASP 141 Cb -0.42 -1.56 0.03 0.00 -1.46 0.00 0.00 42.92 39.51 1ucn s ASP 141 CO 0.39 0.17 0.67 -0.72 0.52 0.00 0.00 175.17 176.20 1ucn s TYR 142 N 0.33 -0.21 -0.12 -5.34 -0.85 -1.26 -5.16 117.35 104.74 1ucn s TYR 142 Ca -0.12 -0.20 -0.02 0.00 -0.52 0.00 0.00 57.07 56.20 1ucn s TYR 142 Cb -0.16 0.64 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1ucn s TYR 142 CO 0.06 -1.14 -0.04 0.99 -1.52 0.00 0.00 175.55 173.90 1ucn s THR 143 N -3.90 3.90 0.15 -3.49 2.01 -1.26 -5.09 115.64 107.97 1ucn s THR 143 Ca 0.10 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 1ucn s THR 143 Cb -0.05 -2.67 -0.07 0.00 0.01 0.00 0.00 72.50 69.72 1ucn s THR 143 CO 0.03 0.53 1.21 -0.55 -0.69 0.00 0.00 174.62 175.16 1ucn s SER 144 N -0.09 7.07 0.24 3.53 0.15 -1.26 -4.90 113.70 118.44 1ucn s SER 144 Ca 0.02 2.19 0.16 0.00 0.70 0.00 0.00 55.95 59.02 1ucn s SER 144 Cb -0.13 -2.60 0.87 0.00 -1.71 0.00 0.00 66.02 62.45 1ucn s SER 144 CO 0.03 -0.41 1.49 0.00 1.20 0.00 0.00 173.24 175.54 1ucn n ALA 146 N -1.70 2.28 -0.33 0.00 0.00 -1.26 -4.71 120.51 114.79 1ucn n ALA 146 Ca -0.01 -0.96 0.20 0.00 0.00 0.00 0.00 53.44 52.67 1ucn n ALA 146 Cb 0.03 -0.43 0.41 0.00 0.00 0.00 0.00 19.45 19.46 1ucn n ALA 146 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ucn h GLN 147 N 2.13 0.36 0.00 0.00 4.15 -1.41 0.31 115.11 120.66 1ucn h GLN 147 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1ucn h GLN 147 Cb 0.65 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1ucn h GLN 147 CO 0.00 0.24 0.00 0.09 -1.93 0.00 0.00 178.83 177.23 1ucn n ASN 148 N -5.04 0.57 -0.00 -0.69 5.03 -1.26 -1.50 115.26 112.37 1ucn n ASN 148 Ca 0.28 0.61 0.10 0.00 0.87 0.00 0.00 54.58 56.44 1ucn n ASN 148 Cb 0.85 -0.74 -0.12 0.00 -1.02 0.00 0.00 39.78 38.75 1ucn n ASN 148 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1ucn n TRP 149 N -2.10 0.00 -0.09 3.10 7.02 0.10 -4.24 117.44 121.23 1ucn n TRP 149 Ca 0.03 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.41 1ucn n TRP 149 Cb 0.27 -0.03 -0.15 0.00 -2.42 0.00 0.00 31.31 28.98 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 -1.53 1.44 -4.36 -0.99 5.41 -0.85 -4.97 119.36 113.51 1ucn n ILE 150 Ca 0.03 -0.82 -0.20 0.00 1.00 0.00 0.00 62.75 62.76 1ucn n ILE 150 Cb 0.33 -0.65 -0.13 0.00 -0.71 0.00 0.00 39.64 38.48 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 -2.51 1.22 -2.43 1.39 2.02 -0.56 -5.04 117.35 111.43 1ucn s TYR 151 Ca -0.11 -0.35 0.29 0.00 -0.37 0.00 0.00 57.07 56.52 1ucn s TYR 151 Cb 0.07 -0.73 1.18 0.00 -0.40 0.00 0.00 41.96 42.08 1ucn s TYR 151 CO 0.81 0.03 1.82 -0.85 -1.57 0.00 0.00 175.55 175.79