#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huw s ASN 3 N 0.00 -0.01 0.00 1.61 4.22 -1.26 -5.16 114.94 114.34 3huw s ASN 3 Ca 0.00 -0.07 0.00 0.00 -2.14 0.00 0.00 52.86 50.65 3huw s ASN 3 Cb 0.00 0.07 0.00 0.00 1.28 0.00 0.00 41.25 42.60 3huw s ASN 3 CO 0.00 -0.13 0.00 0.29 -2.04 0.00 0.00 177.10 175.22 3huw n LYS 4 N -0.67 0.00 -0.37 3.55 5.02 -1.26 -5.07 118.16 119.35 3huw n LYS 4 Ca -0.04 0.49 -0.06 0.00 -2.02 0.00 0.00 58.31 56.68 3huw n LYS 4 Cb 0.62 -0.03 0.04 0.00 -0.02 0.00 0.00 35.03 35.64 3huw n LYS 4 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3huw n ILE 5 N 0.07 0.00 -3.48 -0.18 -6.64 -1.26 -5.04 119.36 102.84 3huw n ILE 5 Ca 0.00 -0.19 -0.38 0.00 -1.77 0.00 0.00 62.75 60.41 3huw n ILE 5 Cb 0.00 -1.81 -0.09 0.00 -1.44 0.00 0.00 39.64 36.29 3huw n ILE 5 CO 0.00 0.00 0.00 -2.28 -1.77 0.00 0.00 176.55 172.50 3huw s HIS 6 N -1.58 3.27 0.59 4.28 5.65 -1.26 -4.95 115.29 121.29 3huw s HIS 6 Ca 0.15 0.35 0.29 0.00 0.25 0.00 0.00 55.06 56.11 3huw s HIS 6 Cb -0.01 -2.47 1.45 0.00 -1.18 0.00 0.00 32.58 30.38 3huw s HIS 6 CO 0.11 -0.13 1.87 -1.00 -0.65 0.00 0.00 174.74 174.94 3huw h PRO 7 N 7.96 0.00 0.00 2.88 0.13 -1.93 0.58 132.00 141.63 3huw h PRO 7 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3huw h PRO 7 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3huw h PRO 7 CO 0.64 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.52 3huw n ILE 8 N -3.74 0.00 0.18 -3.56 2.08 -1.26 -2.47 119.36 110.59 3huw n ILE 8 Ca 0.10 0.59 0.07 0.00 0.56 0.00 0.00 62.75 64.07 3huw n ILE 8 Cb 0.74 -1.21 0.36 0.00 -0.75 0.00 0.00 39.64 38.78 3huw n ILE 8 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3huw h GLY 9 N 0.00 0.00 0.58 7.39 0.00 -1.86 0.83 103.07 110.01 3huw h GLY 9 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3huw h GLY 9 CO 0.00 0.00 -0.69 -2.75 0.00 0.00 0.00 176.54 173.10 3huw h PHE 10 N 0.00 0.46 0.00 5.60 3.57 0.09 -3.38 116.94 123.29 3huw h PHE 10 Ca 0.00 -0.34 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 3huw h PHE 10 Cb 0.70 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 3huw h PHE 10 CO 0.00 1.26 -0.07 0.00 -2.23 0.00 0.00 178.31 177.27 3huw h ARG 11 N -0.47 0.00 0.00 1.11 2.47 -0.28 -3.45 114.38 113.76 3huw h ARG 11 Ca -0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 3huw h ARG 11 Cb 1.54 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.86 3huw h ARG 11 CO 0.13 0.40 0.00 -0.11 0.56 0.00 0.00 179.97 180.95 3huw n LEU 12 N -4.70 0.00 0.05 3.04 -0.00 0.26 -0.83 117.00 114.81 3huw n LEU 12 Ca -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.89 3huw n LEU 12 Cb 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.59 3huw n LEU 12 CO 0.13 0.00 0.21 1.23 -0.00 0.00 0.00 177.39 178.96 3huw h GLY 13 N 0.00 -0.23 -1.66 -3.96 0.00 -1.88 -3.29 103.07 92.05 3huw h GLY 13 Ca 0.00 0.09 -0.52 0.00 0.00 0.00 0.00 47.33 46.89 3huw h GLY 13 CO 0.00 -0.08 0.37 -1.50 0.00 0.00 0.00 176.54 175.32 3huw s ILE 14 N -2.64 2.73 0.00 2.60 2.07 -0.01 -4.64 121.20 121.31 3huw s ILE 14 Ca -0.08 0.33 0.00 0.00 -1.41 0.00 0.00 60.65 59.50 3huw s ILE 14 Cb 0.00 -2.83 0.00 0.00 0.13 0.00 0.00 42.46 39.76 3huw s ILE 14 CO 0.27 -0.22 0.00 0.41 -1.91 0.00 0.00 174.94 173.49 3huw n THR 15 N -2.78 0.00 -1.19 4.00 -1.04 -1.26 -4.62 114.28 107.39 3huw n THR 15 Ca 0.12 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.75 3huw n THR 15 Cb 0.51 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.06 3huw n THR 15 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3huw n ARG 16 N 0.00 0.08 -4.53 -2.82 3.00 -1.26 -4.99 116.66 106.14 3huw n ARG 16 Ca 0.00 0.04 -0.23 0.00 -0.00 0.00 0.00 57.85 57.66 3huw n ARG 16 Cb 0.00 -1.22 -0.14 0.00 0.00 0.00 0.00 32.46 31.10 3huw n ARG 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3huw s ASP 17 N -1.13 2.09 0.16 6.15 1.11 -1.24 -4.14 116.67 119.67 3huw s ASP 17 Ca 0.55 -0.48 -0.12 0.00 0.18 0.00 0.00 52.55 52.68 3huw s ASP 17 Cb -0.37 -0.16 -0.08 0.00 1.07 0.00 0.00 42.92 43.37 3huw s ASP 17 CO 0.68 0.11 0.13 0.79 1.18 0.00 0.00 175.17 178.07 3huw n TRP 18 N 1.93 -0.71 0.47 4.23 8.01 -1.25 -4.85 117.44 125.27 3huw n TRP 18 Ca -0.17 0.38 0.12 0.00 -1.31 0.00 0.00 57.50 56.52 3huw n TRP 18 Cb 0.54 -0.92 0.20 0.00 -2.01 0.00 0.00 31.31 29.12 3huw n TRP 18 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.69 178.17 3huw h GLU 19 N 0.30 0.00 -1.71 -0.99 4.81 -1.96 -3.44 114.58 111.59 3huw h GLU 19 Ca -0.16 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3huw h GLU 19 Cb 0.72 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 29.87 3huw h GLU 19 CO 0.25 0.00 -0.26 0.45 -0.73 0.00 0.00 179.01 178.72 3huw s SER 20 N -4.70 -0.92 0.04 1.04 0.15 -1.26 -3.14 113.70 104.91 3huw s SER 20 Ca 0.06 1.07 0.06 0.00 0.70 0.00 0.00 55.95 57.85 3huw s SER 20 Cb 0.12 1.96 -0.02 0.00 -1.71 0.00 0.00 66.02 66.37 3huw s SER 20 CO 0.70 -0.25 -0.18 0.00 1.20 0.00 0.00 173.24 174.71 3huw s ARG 21 N 2.80 1.18 0.00 5.44 3.03 -0.35 -4.94 118.95 126.10 3huw s ARG 21 Ca 0.07 -0.87 0.00 0.00 2.03 0.00 0.00 55.73 56.96 3huw s ARG 21 Cb -0.14 -1.25 0.00 0.00 -1.03 0.00 0.00 34.95 32.53 3huw s ARG 21 CO -0.18 0.31 0.00 -2.67 -1.13 0.00 0.00 175.30 171.63 3huw n TRP 22 N 1.84 0.00 -1.01 5.89 4.27 -1.26 -3.13 117.44 124.05 3huw n TRP 22 Ca -0.18 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.14 3huw n TRP 22 Cb 0.54 0.00 0.22 0.00 -1.36 0.00 0.00 31.31 30.71 3huw n TRP 22 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 3huw s TYR 23 N -1.04 1.19 0.29 -2.67 5.04 -1.26 -5.02 117.35 113.88 3huw s TYR 23 Ca 0.00 0.78 -0.19 0.00 -2.44 0.00 0.00 57.07 55.21 3huw s TYR 23 Cb 0.00 -3.29 0.06 0.00 0.35 0.00 0.00 41.96 39.08 3huw s TYR 23 CO 0.00 -3.57 0.90 0.00 -1.34 0.00 0.00 175.55 171.54 3huw s ALA 24 N -2.88 -1.16 -0.08 3.97 0.00 -1.26 -5.02 121.76 115.33 3huw s ALA 24 Ca 0.68 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 3huw s ALA 24 Cb -0.16 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 3huw s ALA 24 CO 0.58 -1.02 -0.00 0.20 0.00 0.00 0.00 175.76 175.51 3huw s GLY 25 N -3.20 1.84 0.00 0.00 0.00 -0.00 -4.94 107.32 101.02 3huw s GLY 25 Ca 0.18 -0.82 0.05 0.00 0.00 0.00 0.00 44.72 44.13 3huw s GLY 25 CO 0.08 -0.60 0.78 0.58 0.00 0.00 0.00 173.10 173.94 3huw n LYS 26 N 2.08 0.18 -0.00 2.90 2.85 -1.26 0.14 118.16 125.05 3huw n LYS 26 Ca -0.18 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.15 3huw n LYS 26 Cb 0.53 -1.47 -0.10 0.00 -0.65 0.00 0.00 35.03 33.35 3huw n LYS 26 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3huw n LYS 27 N -0.97 1.21 -3.39 -1.58 5.02 -1.26 -4.87 118.16 112.31 3huw n LYS 27 Ca 0.04 -0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.13 3huw n LYS 27 Cb 0.02 -1.28 -0.09 0.00 -0.02 0.00 0.00 35.03 33.66 3huw n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3huw s GLN 28 N -2.74 0.30 0.00 1.97 -0.21 0.37 -4.87 119.66 114.47 3huw s GLN 28 Ca -0.01 0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.79 3huw s GLN 28 Cb 0.10 -0.70 0.00 0.00 1.00 0.00 0.00 33.01 33.41 3huw s GLN 28 CO 0.60 -0.66 0.00 0.98 -2.12 0.00 0.00 175.29 174.09 3huw n TYR 29 N 5.35 0.00 0.25 0.91 -0.00 -1.21 -0.82 117.16 121.64 3huw n TYR 29 Ca -0.04 0.00 0.15 0.00 -0.00 0.00 0.00 57.90 58.01 3huw n TYR 29 Cb 0.50 0.00 0.43 0.00 -0.00 0.00 0.00 39.34 40.27 3huw n TYR 29 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 3huw h ARG 30 N 0.00 0.00 0.00 2.98 2.43 -1.89 -2.18 114.38 115.72 3huw h ARG 30 Ca 0.00 0.00 -0.42 0.00 -0.81 0.00 0.00 59.98 58.75 3huw h ARG 30 Cb 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 3huw h ARG 30 CO 0.00 0.00 -2.42 0.72 -1.51 0.00 0.00 179.97 176.76 3huw n HIS 31 N -3.09 0.00 0.02 2.20 8.25 -1.26 -2.42 115.22 118.92 3huw n HIS 31 Ca 0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.50 3huw n HIS 31 Cb 0.42 -0.92 0.07 0.00 1.12 0.00 0.00 29.99 30.68 3huw n HIS 31 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3huw n LEU 32 N -4.05 0.07 -0.01 2.41 4.77 -1.25 -1.69 117.00 117.25 3huw n LEU 32 Ca -0.49 0.52 -0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3huw n LEU 32 Cb 0.87 -0.53 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3huw n LEU 32 CO 0.05 -0.54 -0.09 -0.11 -1.33 0.00 0.00 177.39 175.36 3huw n LEU 33 N -1.58 0.28 -0.45 2.23 7.94 -0.82 -3.33 117.00 121.27 3huw n LEU 33 Ca -0.00 0.08 0.40 0.00 -1.11 0.00 0.00 56.01 55.38 3huw n LEU 33 Cb 0.02 -0.54 0.74 0.00 0.53 0.00 0.00 43.42 44.17 3huw n LEU 33 CO 0.01 -0.47 1.36 0.17 -1.11 0.00 0.00 177.39 177.35 3huw h LEU 34 N -0.15 0.06 0.17 -1.96 -0.00 -1.35 2.01 115.31 114.10 3huw h LEU 34 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 3huw h LEU 34 Cb 0.14 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 3huw h LEU 34 CO 0.00 -0.01 -0.08 -0.08 -0.00 0.00 0.00 178.44 178.27 3huw h GLU 35 N 0.04 -0.22 -0.82 0.17 4.81 -1.56 -1.75 114.58 115.25 3huw h GLU 35 Ca 0.71 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 60.14 3huw h GLU 35 Cb 2.69 0.05 -0.15 0.00 0.63 0.00 0.00 28.75 31.97 3huw h GLU 35 CO -0.08 -0.15 -0.11 -3.47 -0.73 0.00 0.00 179.01 174.48 3huw n ASP 36 N -3.49 -0.21 0.05 1.04 4.64 0.18 -0.95 116.55 117.81 3huw n ASP 36 Ca -0.03 1.41 -0.02 0.00 -1.38 0.00 0.00 54.79 54.76 3huw n ASP 36 Cb 0.09 -0.46 -0.01 0.00 -1.04 0.00 0.00 41.12 39.69 3huw n ASP 36 CO 0.00 0.00 0.00 -0.61 -0.82 0.00 0.00 177.20 175.77 3huw h GLN 37 N 0.00 -0.14 0.00 -0.67 -0.00 0.29 -2.63 115.11 111.95 3huw h GLN 37 Ca 0.44 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.10 3huw h GLN 37 Cb 0.79 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.30 3huw h GLN 37 CO -0.81 -0.09 0.27 0.07 0.00 0.00 0.00 178.83 178.27 3huw h ARG 38 N -0.14 0.00 0.15 1.69 0.11 -0.11 -0.47 114.38 115.61 3huw h ARG 38 Ca -0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 3huw h ARG 38 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 3huw h ARG 38 CO 0.00 0.00 -0.07 0.82 0.10 0.00 0.00 179.97 180.82 3huw h ILE 39 N 0.00 0.97 -0.27 0.08 2.04 -0.68 -2.33 117.51 117.31 3huw h ILE 39 Ca 0.00 -1.06 0.08 0.00 1.00 0.00 0.00 64.86 64.88 3huw h ILE 39 Cb 0.55 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 3huw h ILE 39 CO 0.00 0.23 0.29 0.03 0.00 0.00 0.00 178.15 178.69 3huw h ARG 40 N -0.76 0.00 0.00 2.37 3.08 -0.88 -1.96 114.38 116.23 3huw h ARG 40 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3huw h ARG 40 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3huw h ARG 40 CO 0.03 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 3huw n GLY 41 N -1.45 -2.61 0.33 0.04 0.00 -0.91 -1.25 105.19 99.34 3huw n GLY 41 Ca 0.04 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 3huw n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3huw n LEU 42 N -2.06 -0.83 -0.24 0.99 4.32 -0.76 0.14 117.00 118.56 3huw n LEU 42 Ca 0.00 1.50 -0.06 0.00 -0.02 0.00 0.00 56.01 57.43 3huw n LEU 42 Cb 0.00 -0.23 -0.06 0.00 -1.62 0.00 0.00 43.42 41.51 3huw n LEU 42 CO 0.00 -1.19 0.48 0.18 -1.22 0.00 0.00 177.39 175.64 3huw n LEU 43 N -4.85 -0.61 -0.15 2.23 4.77 -1.05 -0.45 117.00 116.88 3huw n LEU 43 Ca 0.02 1.44 -0.10 0.00 -0.03 0.00 0.00 56.01 57.34 3huw n LEU 43 Cb 0.20 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3huw n LEU 43 CO -0.13 -1.04 0.84 -0.33 -1.33 0.00 0.00 177.39 175.40 3huw h GLU 44 N 0.00 0.74 -0.92 3.23 5.08 0.25 -2.69 114.58 120.27 3huw h GLU 44 Ca 0.09 -0.20 0.24 0.00 -1.00 0.00 0.00 59.36 58.49 3huw h GLU 44 Cb 0.24 -0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.24 3huw h GLU 44 CO -0.54 0.77 0.05 0.87 -1.00 0.00 0.00 179.01 179.15 3huw h LYS 45 N 0.60 0.06 -3.11 2.33 1.57 0.30 -3.32 116.57 114.99 3huw h LYS 45 Ca 0.13 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.66 3huw h LYS 45 Cb 0.39 -0.01 -0.33 0.00 0.08 0.00 0.00 32.23 32.36 3huw h LYS 45 CO 0.01 0.04 -0.59 -1.21 -0.57 0.00 0.00 179.45 177.13 3huw s GLU 46 N -6.02 0.09 0.00 3.15 2.02 0.40 -4.78 118.70 113.57 3huw s GLU 46 Ca -0.13 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.37 3huw s GLU 46 Cb 0.27 -0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.31 3huw s GLU 46 CO 0.77 -0.23 0.00 -0.11 0.02 0.00 0.00 175.26 175.71 3huw n LEU 47 N 4.75 0.00 -0.12 1.80 7.94 -1.17 -4.35 117.00 125.85 3huw n LEU 47 Ca -0.16 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 54.86 3huw n LEU 47 Cb 0.51 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.68 3huw n LEU 47 CO 0.11 0.00 0.39 0.00 -1.11 0.00 0.00 177.39 176.77 3huw n TYR 48 N 0.00 0.43 -0.06 1.96 9.36 -1.25 -1.01 117.16 126.58 3huw n TYR 48 Ca 0.00 0.43 -0.03 0.00 3.32 0.00 0.00 57.90 61.61 3huw n TYR 48 Cb 0.00 -0.89 -0.03 0.00 -0.63 0.00 0.00 39.34 37.79 3huw n TYR 48 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 3huw h SER 49 N 0.00 -0.53 -0.40 2.98 0.02 -1.93 0.49 113.55 114.17 3huw h SER 49 Ca 0.31 0.07 0.12 0.00 -0.84 0.00 0.00 61.79 61.45 3huw h SER 49 Cb 0.83 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 3huw h SER 49 CO -0.28 -0.09 0.56 0.00 -1.14 0.00 0.00 176.83 175.88 3huw h ALA 50 N -0.84 2.08 -1.44 3.77 0.00 -1.29 -3.46 119.26 118.07 3huw h ALA 50 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3huw h ALA 50 Cb 0.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3huw h ALA 50 CO -0.19 -0.77 0.00 0.41 0.00 0.00 0.00 179.25 178.70 3huw n GLY 51 N -1.47 0.11 3.57 0.00 0.00 0.17 -3.07 105.19 104.49 3huw n GLY 51 Ca 0.07 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 3huw n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3huw s LEU 52 N -0.63 3.33 0.00 0.99 2.34 -1.25 -3.68 118.68 119.78 3huw s LEU 52 Ca 0.00 -1.26 0.03 0.00 0.06 0.00 0.00 54.13 52.96 3huw s LEU 52 Cb 0.00 -2.57 0.20 0.00 -0.56 0.00 0.00 46.19 43.26 3huw s LEU 52 CO 0.00 -2.23 0.76 0.00 -1.06 0.00 0.00 176.35 173.82 3huw n ALA 53 N 11.82 1.55 0.00 1.48 0.00 -1.20 -4.83 120.51 129.33 3huw n ALA 53 Ca 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3huw n ALA 53 Cb 0.48 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3huw n ALA 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3huw n ARG 54 N -1.08 -2.99 -3.15 0.00 0.63 -1.26 -4.87 116.66 103.94 3huw n ARG 54 Ca 0.02 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.00 3huw n ARG 54 Cb 0.02 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.93 3huw n ARG 54 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3huw s VAL 55 N -2.09 -0.87 -0.23 5.15 1.01 -1.26 -3.90 120.40 118.20 3huw s VAL 55 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 3huw s VAL 55 Cb 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 3huw s VAL 55 CO 0.00 0.00 0.15 -0.62 0.00 0.00 0.00 175.10 174.63 3huw s ASP 56 N 2.85 6.12 -0.18 3.32 2.15 -0.89 -4.65 116.67 125.40 3huw s ASP 56 Ca 0.13 0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.24 3huw s ASP 56 Cb -0.09 -2.10 0.04 0.00 -0.30 0.00 0.00 42.92 40.47 3huw s ASP 56 CO -0.25 0.09 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.12 3huw s ILE 57 N 0.94 1.38 0.42 4.11 1.01 -1.19 -2.89 121.20 124.97 3huw s ILE 57 Ca 0.08 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 60.02 3huw s ILE 57 Cb -0.13 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 3huw s ILE 57 CO 0.03 0.19 0.15 -1.61 0.00 0.00 0.00 174.94 173.71 3huw s GLU 58 N 1.52 2.18 0.14 2.79 2.02 -1.25 -1.21 118.70 124.90 3huw s GLU 58 Ca 0.00 -1.90 -0.25 0.00 0.02 0.00 0.00 54.97 52.84 3huw s GLU 58 Cb -0.15 -1.92 0.06 0.00 0.10 0.00 0.00 34.13 32.22 3huw s GLU 58 CO -0.08 -0.12 0.90 1.03 0.02 0.00 0.00 175.26 177.01 3huw s ARG 59 N -3.88 1.21 0.00 1.61 0.52 -1.18 -3.59 118.95 113.64 3huw s ARG 59 Ca 0.39 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 3huw s ARG 59 Cb 0.05 0.44 0.00 0.00 0.52 0.00 0.00 34.95 35.95 3huw s ARG 59 CO 0.21 -0.55 0.00 0.00 0.02 0.00 0.00 175.30 174.98 3huw n ALA 60 N -0.43 0.12 0.00 2.13 0.00 -1.26 -4.64 120.51 116.43 3huw n ALA 60 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3huw n ALA 60 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3huw n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huw n ALA 61 N -0.17 0.00 -2.10 0.00 0.00 -1.26 -5.05 120.51 111.93 3huw n ALA 61 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3huw n ALA 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3huw n ALA 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3huw n ASP 62 N 0.00 -4.37 -3.62 0.00 4.64 -1.26 -5.08 116.55 106.87 3huw n ASP 62 Ca 0.00 0.07 -0.07 0.00 -1.38 0.00 0.00 54.79 53.40 3huw n ASP 62 Cb 0.00 -2.75 -0.06 0.00 -1.04 0.00 0.00 41.12 37.27 3huw n ASP 62 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3huw s ASN 63 N -2.11 -0.28 -0.08 1.67 4.22 -1.26 -4.28 114.94 112.82 3huw s ASN 63 Ca 0.04 0.42 0.05 0.00 -2.14 0.00 0.00 52.86 51.23 3huw s ASN 63 Cb -0.01 0.39 -0.01 0.00 1.28 0.00 0.00 41.25 42.90 3huw s ASN 63 CO 0.31 -0.17 -0.23 0.68 -2.04 0.00 0.00 177.10 175.64 3huw s VAL 64 N -0.50 2.16 0.00 3.54 -7.23 0.55 -4.55 120.40 114.36 3huw s VAL 64 Ca 0.03 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 3huw s VAL 64 Cb -0.03 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.11 3huw s VAL 64 CO -0.05 0.56 0.35 0.00 -0.31 0.00 0.00 175.10 175.65 3huw n ALA 65 N 3.19 -0.17 -0.71 1.32 0.00 -1.24 -3.38 120.51 119.53 3huw n ALA 65 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3huw n ALA 65 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3huw n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3huw n VAL 66 N -1.95 0.00 -1.54 0.00 0.31 -1.20 -3.81 118.33 110.15 3huw n VAL 66 Ca 0.00 0.00 -0.55 0.00 -0.01 0.00 0.00 64.34 63.78 3huw n VAL 66 Cb 0.00 -0.44 -0.07 0.00 -0.91 0.00 0.00 33.84 32.42 3huw n VAL 66 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3huw n THR 67 N -2.06 0.11 -4.51 2.52 -1.04 -1.14 -4.62 114.28 103.55 3huw n THR 67 Ca 0.00 -0.03 -0.32 0.00 -2.04 0.00 0.00 64.05 61.66 3huw n THR 67 Cb 0.08 -0.42 -0.16 0.00 -1.82 0.00 0.00 70.33 68.00 3huw n THR 67 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3huw s VAL 68 N 0.18 1.99 -1.13 12.58 1.01 -1.25 -2.09 120.40 131.69 3huw s VAL 68 Ca 0.86 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 3huw s VAL 68 Cb -1.09 -1.77 0.26 0.00 0.00 0.00 0.00 36.38 33.78 3huw s VAL 68 CO 0.52 0.53 1.82 1.41 0.00 0.00 0.00 175.10 179.38 3huw n HIS 69 N 4.22 2.58 -1.55 5.22 8.25 -1.25 -2.72 115.22 129.97 3huw n HIS 69 Ca -0.20 -2.63 -0.29 0.00 -0.26 0.00 0.00 57.72 54.34 3huw n HIS 69 Cb 0.51 -1.41 0.15 0.00 1.12 0.00 0.00 29.99 30.36 3huw n HIS 69 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3huw s VAL 70 N -2.74 1.96 -0.12 1.59 1.01 -1.25 -3.23 120.40 117.63 3huw s VAL 70 Ca 0.39 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.44 3huw s VAL 70 Cb 0.13 -2.76 -0.10 0.00 0.00 0.00 0.00 36.38 33.65 3huw s VAL 70 CO -0.03 0.00 0.20 0.00 0.00 0.00 0.00 175.10 175.27 3huw n ALA 71 N -3.84 2.48 -3.15 5.51 0.00 -1.24 0.31 120.51 120.57 3huw n ALA 71 Ca 0.08 -0.18 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 3huw n ALA 71 Cb 0.59 -0.25 -0.05 0.00 0.00 0.00 0.00 19.45 19.74 3huw n ALA 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3huw n LYS 72 N -1.55 2.11 -0.06 0.00 4.81 -1.18 -4.44 118.16 117.86 3huw n LYS 72 Ca -0.00 -4.19 0.03 0.00 -0.87 0.00 0.00 58.31 53.27 3huw n LYS 72 Cb 0.16 -1.95 0.36 0.00 0.02 0.00 0.00 35.03 33.63 3huw n LYS 72 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3huw h PRO 73 N 3.42 0.66 -0.89 1.64 0.13 -1.84 -3.12 132.00 132.01 3huw h PRO 73 Ca 0.13 -0.05 0.26 0.00 -0.87 0.00 0.00 66.00 65.47 3huw h PRO 73 Cb 0.71 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.67 3huw h PRO 73 CO 0.69 0.46 0.91 0.78 -0.23 0.00 0.00 178.00 180.61 3huw h GLY 74 N 0.70 0.00 2.00 1.56 0.00 -1.97 2.61 103.07 107.98 3huw h GLY 74 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.41 3huw h GLY 74 CO -0.03 0.00 -0.49 -2.08 0.00 0.00 0.00 176.54 173.93 3huw h VAL 75 N 0.00 1.03 0.01 4.60 2.07 -1.93 -2.98 116.25 119.06 3huw h VAL 75 Ca 0.42 -1.91 -0.31 0.00 0.82 0.00 0.00 66.70 65.72 3huw h VAL 75 Cb 2.24 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 34.10 3huw h VAL 75 CO -0.00 0.48 -1.79 1.33 0.02 0.00 0.00 177.57 177.61 3huw n VAL 76 N -3.49 1.62 0.08 2.57 0.24 0.84 -4.42 118.33 115.76 3huw n VAL 76 Ca 0.00 -0.78 -0.05 0.00 -2.04 0.00 0.00 64.34 61.47 3huw n VAL 76 Cb 0.61 -1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 31.86 3huw n VAL 76 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3huw h ILE 77 N 0.01 0.00 0.00 1.34 2.04 -0.31 -3.34 117.51 117.25 3huw h ILE 77 Ca -0.32 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3huw h ILE 77 Cb 2.03 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3huw h ILE 77 CO 0.08 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.84 3huw n GLY 78 N -1.16 -1.82 3.61 5.37 0.00 -1.13 -2.00 105.19 108.06 3huw n GLY 78 Ca -0.03 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.37 3huw n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3huw s ARG 79 N -0.60 3.66 0.00 1.61 1.70 -1.26 -3.22 118.95 120.84 3huw s ARG 79 Ca 0.00 1.17 0.00 0.00 -0.47 0.00 0.00 55.73 56.43 3huw s ARG 79 Cb 0.00 -4.01 0.00 0.00 -0.57 0.00 0.00 34.95 30.37 3huw s ARG 79 CO 0.00 -1.45 0.00 0.41 -1.08 0.00 0.00 175.30 173.18 3huw n GLY 80 N 4.87 2.24 0.00 3.88 0.00 -1.26 -3.52 105.19 111.40 3huw n GLY 80 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3huw n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huw n GLY 81 N -0.37 0.74 0.27 -0.02 0.00 -1.20 -5.06 105.19 99.54 3huw n GLY 81 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.73 3huw n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3huw n GLU 82 N 0.00 1.38 -0.01 1.61 1.02 -1.19 -4.64 120.64 118.82 3huw n GLU 82 Ca 0.00 -1.31 -0.20 0.00 -0.02 0.00 0.00 57.16 55.63 3huw n GLU 82 Cb 0.00 -1.12 -0.13 0.00 -0.02 0.00 0.00 31.44 30.17 3huw n GLU 82 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3huw h ARG 83 N 1.04 0.18 -1.00 3.49 9.65 -1.64 -3.37 114.38 122.73 3huw h ARG 83 Ca 0.00 -0.31 0.20 0.00 -1.10 0.00 0.00 59.98 58.78 3huw h ARG 83 Cb 0.43 0.11 -0.10 0.00 -1.39 0.00 0.00 29.97 29.02 3huw h ARG 83 CO 0.00 1.15 0.61 0.97 2.80 0.00 0.00 179.97 185.50 3huw h ILE 84 N -0.52 0.67 -0.65 1.20 2.10 -1.68 -1.13 117.51 117.49 3huw h ILE 84 Ca -0.24 -0.23 0.12 0.00 1.08 0.00 0.00 64.86 65.58 3huw h ILE 84 Cb 1.56 -0.07 -0.09 0.00 -1.09 0.00 0.00 36.82 37.13 3huw h ILE 84 CO 0.02 0.12 0.20 -0.09 -1.08 0.00 0.00 178.15 177.33 3huw h ARG 85 N 0.68 0.34 -0.02 2.19 9.65 -1.86 0.26 114.38 125.61 3huw h ARG 85 Ca 0.58 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 59.39 3huw h ARG 85 Cb 1.02 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.51 3huw h ARG 85 CO -0.37 0.22 -0.22 -0.39 2.80 0.00 0.00 179.97 182.01 3huw h VAL 86 N 0.35 1.17 0.32 0.20 -1.51 -1.40 -2.88 116.25 112.49 3huw h VAL 86 Ca 0.35 -0.81 -0.02 0.00 -1.23 0.00 0.00 66.70 64.99 3huw h VAL 86 Cb 0.51 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 3huw h VAL 86 CO -0.39 0.24 -0.15 -0.07 -1.23 0.00 0.00 177.57 175.97 3huw h LEU 87 N 0.04 -0.36 -1.17 4.19 3.38 -0.43 -3.05 115.31 117.91 3huw h LEU 87 Ca 0.01 0.01 0.38 0.00 0.09 0.00 0.00 57.88 58.37 3huw h LEU 87 Cb 0.42 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 3huw h LEU 87 CO 0.03 -0.09 0.78 0.54 0.09 0.00 0.00 178.44 179.79 3huw n ARG 88 N -4.09 -0.02 0.00 1.13 1.74 0.28 -0.19 116.66 115.51 3huw n ARG 88 Ca -0.05 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 3huw n ARG 88 Cb 0.17 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 3huw n ARG 88 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3huw n GLU 89 N -3.99 0.00 -0.15 5.56 4.07 -1.09 -1.52 120.64 123.51 3huw n GLU 89 Ca 0.31 0.07 -0.00 0.00 -0.06 0.00 0.00 57.16 57.48 3huw n GLU 89 Cb 1.28 -0.86 0.02 0.00 -0.06 0.00 0.00 31.44 31.81 3huw n GLU 89 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3huw n GLU 90 N -0.43 -0.09 0.05 5.31 -0.58 0.73 0.47 120.64 126.10 3huw n GLU 90 Ca 0.00 0.60 -0.14 0.00 -0.42 0.00 0.00 57.16 57.20 3huw n GLU 90 Cb 0.00 -0.89 -0.08 0.00 -0.57 0.00 0.00 31.44 29.90 3huw n GLU 90 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3huw h LEU 91 N 0.00 -1.40 -0.32 -4.62 3.38 -1.47 -1.35 115.31 109.54 3huw h LEU 91 Ca 0.14 0.17 -0.13 0.00 0.09 0.00 0.00 57.88 58.14 3huw h LEU 91 Cb 0.24 0.54 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3huw h LEU 91 CO -0.39 -0.48 -0.64 0.00 0.09 0.00 0.00 178.44 177.03 3huw h ALA 92 N -0.13 0.69 0.00 1.53 0.00 0.39 -1.04 119.26 120.69 3huw h ALA 92 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3huw h ALA 92 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3huw h ALA 92 CO -0.34 0.80 0.00 1.17 0.00 0.00 0.00 179.25 180.88 3huw n LYS 93 N -3.41 0.16 0.00 0.00 4.81 1.70 -1.27 118.16 120.14 3huw n LYS 93 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3huw n LYS 93 Cb 0.73 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 34.39 3huw n LYS 93 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 3huw n LEU 94 N -0.89 0.00 -3.44 3.14 -0.00 -0.81 -4.91 117.00 110.10 3huw n LEU 94 Ca 0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.86 3huw n LEU 94 Cb 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.32 3huw n LEU 94 CO 0.02 0.13 -0.18 -0.89 -0.00 0.00 0.00 177.39 176.47 3huw s THR 95 N 0.00 -0.37 0.00 1.47 2.01 -0.40 -5.02 115.64 113.33 3huw s THR 95 Ca 0.00 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.66 3huw s THR 95 Cb 0.00 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.64 3huw s THR 95 CO 0.00 -0.37 0.89 0.61 -0.69 0.00 0.00 174.62 175.07 3huw n GLY 96 N 5.31 1.57 2.29 4.40 0.00 -1.25 -3.85 105.19 113.66 3huw n GLY 96 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 3huw n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3huw n LYS 97 N 0.86 0.80 -1.98 1.61 4.81 -1.26 -4.99 118.16 118.02 3huw n LYS 97 Ca 0.00 -1.86 -0.25 0.00 -0.87 0.00 0.00 58.31 55.33 3huw n LYS 97 Cb 0.36 -0.09 -0.05 0.00 0.02 0.00 0.00 35.03 35.27 3huw n LYS 97 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3huw s ASN 98 N -3.08 4.95 -0.99 3.14 3.84 -1.26 -4.89 114.94 116.64 3huw s ASN 98 Ca 0.33 -0.59 -0.17 0.00 0.21 0.00 0.00 52.86 52.64 3huw s ASN 98 Cb -0.03 -2.56 0.15 0.00 -0.55 0.00 0.00 41.25 38.26 3huw s ASN 98 CO 0.21 -2.92 1.17 0.68 -2.79 0.00 0.00 177.10 173.45 3huw s VAL 99 N 10.81 4.88 0.00 -5.21 -7.23 -1.26 0.21 120.40 122.59 3huw s VAL 99 Ca 0.73 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 3huw s VAL 99 Cb -0.07 -4.79 0.00 0.00 0.56 0.00 0.00 36.38 32.08 3huw s VAL 99 CO 0.01 -1.50 0.00 0.00 -0.31 0.00 0.00 175.10 173.30 3huw n ALA 100 N 6.11 0.00 0.00 1.32 0.00 -1.22 -4.90 120.51 121.83 3huw n ALA 100 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3huw n ALA 100 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3huw n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3huw n LEU 101 N 0.00 0.00 0.00 0.00 0.00 -1.25 -4.73 117.00 111.02 3huw n LEU 101 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.89 3huw n LEU 101 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 3huw n LEU 101 CO 0.00 0.00 -0.05 0.59 0.00 0.00 0.00 177.39 177.93 3huw n ASN 102 N 0.00 2.22 -2.70 1.96 3.02 -1.26 -5.02 115.26 113.48 3huw n ASN 102 Ca 0.00 -1.85 -0.03 0.00 -0.03 0.00 0.00 54.58 52.66 3huw n ASN 102 Cb 0.00 0.08 0.11 0.00 -0.61 0.00 0.00 39.78 39.36 3huw n ASN 102 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3huw n VAL 103 N -0.73 0.24 -1.51 2.41 0.31 -1.26 -3.92 118.33 113.88 3huw n VAL 103 Ca -0.05 -1.52 -0.36 0.00 -0.01 0.00 0.00 64.34 62.39 3huw n VAL 103 Cb 0.26 1.02 -0.15 0.00 -0.91 0.00 0.00 33.84 34.07 3huw n VAL 103 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3huw n GLN 104 N -1.10 0.13 -0.65 5.55 0.00 -1.10 -4.74 117.38 115.48 3huw n GLN 104 Ca -0.09 -0.02 -0.31 0.00 -0.00 0.00 0.00 57.00 56.57 3huw n GLN 104 Cb 0.86 -1.70 0.18 0.00 0.00 0.00 0.00 30.24 29.58 3huw n GLN 104 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 3huw n GLU 105 N 8.06 -1.07 -4.07 3.69 2.13 -1.26 -3.81 120.64 124.31 3huw n GLU 105 Ca 0.63 -0.27 -0.33 0.00 0.66 0.00 0.00 57.16 57.85 3huw n GLU 105 Cb 0.12 -2.13 -0.15 0.00 0.27 0.00 0.00 31.44 29.55 3huw n GLU 105 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3huw s VAL 106 N -2.48 2.23 0.08 6.31 1.01 0.91 -4.81 120.40 123.66 3huw s VAL 106 Ca 0.64 -1.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.00 3huw s VAL 106 Cb -0.22 -2.19 -0.16 0.00 0.00 0.00 0.00 36.38 33.81 3huw s VAL 106 CO 0.63 0.16 1.70 1.56 0.00 0.00 0.00 175.10 179.14 3huw h GLN 107 N 7.85 -0.19 -4.29 2.72 7.50 -1.85 -3.38 115.11 123.47 3huw h GLN 107 Ca -0.28 0.01 -0.73 0.00 0.50 0.00 0.00 58.65 58.15 3huw h GLN 107 Cb 1.08 0.04 -0.30 0.00 0.05 0.00 0.00 27.48 28.35 3huw h GLN 107 CO 0.53 -0.11 -0.39 1.21 -1.50 0.00 0.00 178.83 178.56 3huw s ASN 108 N -5.03 5.70 0.45 1.46 3.84 -1.26 -4.89 114.94 115.21 3huw s ASN 108 Ca -0.14 -1.93 0.25 0.00 0.21 0.00 0.00 52.86 51.25 3huw s ASN 108 Cb 0.05 -2.01 0.96 0.00 -0.55 0.00 0.00 41.25 39.70 3huw s ASN 108 CO 0.65 -0.69 1.84 -0.65 -2.79 0.00 0.00 177.10 175.46 3huw h PRO 109 N 8.43 0.00 0.00 0.43 0.11 -1.92 -3.16 132.00 135.90 3huw h PRO 109 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3huw h PRO 109 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3huw h PRO 109 CO 0.86 0.20 0.00 0.09 -0.21 0.00 0.00 178.00 178.93 3huw n ASN 110 N -3.35 0.00 -0.19 -2.05 3.02 -1.26 -3.45 115.26 107.98 3huw n ASN 110 Ca 0.00 0.31 0.13 0.00 -0.03 0.00 0.00 54.58 54.99 3huw n ASN 110 Cb 0.42 0.00 0.24 0.00 -0.61 0.00 0.00 39.78 39.83 3huw n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3huw n LEU 111 N -0.36 0.05 -4.55 3.41 4.77 -1.24 -4.17 117.00 114.91 3huw n LEU 111 Ca 0.00 0.96 -0.40 0.00 -0.03 0.00 0.00 56.01 56.54 3huw n LEU 111 Cb 0.00 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 3huw n LEU 111 CO 0.00 -1.02 1.96 -0.24 -1.33 0.00 0.00 177.39 176.76 3huw n SER 112 N -4.53 2.48 0.14 -1.43 2.88 -1.19 -4.85 113.62 107.12 3huw n SER 112 Ca 0.17 -0.14 -0.11 0.00 -1.33 0.00 0.00 58.87 57.46 3huw n SER 112 Cb 0.57 -1.50 -0.06 0.00 -0.75 0.00 0.00 64.21 62.47 3huw n SER 112 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3huw h ALA 113 N 16.97 -0.94 -1.12 -1.46 0.00 -1.78 -1.51 119.26 129.42 3huw h ALA 113 Ca -0.29 -0.10 0.32 0.00 0.00 0.00 0.00 54.91 54.85 3huw h ALA 113 Cb 1.27 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 19.62 3huw h ALA 113 CO 1.09 -0.98 1.16 -1.35 0.00 0.00 0.00 179.25 179.18 3huw h PRO 114 N -0.56 0.00 0.12 0.00 0.11 -1.82 1.93 132.00 131.78 3huw h PRO 114 Ca -0.03 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.82 3huw h PRO 114 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3huw h PRO 114 CO -0.09 0.00 -1.31 -0.07 -0.21 0.00 0.00 178.00 176.32 3huw h LEU 115 N 0.00 0.41 -1.60 2.35 3.38 -1.73 -2.31 115.31 115.81 3huw h LEU 115 Ca 0.53 -0.87 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 3huw h LEU 115 Cb 2.85 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 43.46 3huw h LEU 115 CO -0.01 1.58 -0.17 0.58 0.09 0.00 0.00 178.44 180.52 3huw h VAL 116 N -0.30 1.14 0.29 1.22 2.07 0.37 1.12 116.25 122.17 3huw h VAL 116 Ca -0.27 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3huw h VAL 116 Cb 1.75 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3huw h VAL 116 CO 0.08 0.19 -0.14 0.00 0.02 0.00 0.00 177.57 177.72 3huw h ALA 117 N 1.79 -0.39 -0.64 1.67 0.00 -0.02 -2.43 119.26 119.24 3huw h ALA 117 Ca 0.01 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.97 3huw h ALA 117 Cb 0.33 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3huw h ALA 117 CO 0.02 -0.37 0.45 1.96 0.00 0.00 0.00 179.25 181.31 3huw h GLN 118 N -1.09 0.13 0.00 0.00 4.20 -1.26 0.77 115.11 117.86 3huw h GLN 118 Ca -0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3huw h GLN 118 Cb 0.34 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3huw h GLN 118 CO 0.07 0.09 0.00 -2.13 -0.67 0.00 0.00 178.83 176.18 3huw n ARG 119 N -4.40 0.00 0.20 1.46 0.63 0.39 -2.13 116.66 112.80 3huw n ARG 119 Ca 0.12 0.66 -0.17 0.00 -0.92 0.00 0.00 57.85 57.54 3huw n ARG 119 Cb 0.62 -1.44 -0.10 0.00 0.45 0.00 0.00 32.46 32.00 3huw n ARG 119 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3huw h VAL 120 N 0.00 0.00 -0.52 5.15 2.07 -0.86 -2.48 116.25 119.61 3huw h VAL 120 Ca 0.00 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.71 3huw h VAL 120 Cb 0.00 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 3huw h VAL 120 CO 0.00 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.77 3huw n ALA 121 N -2.86 0.43 0.28 1.67 0.00 0.19 0.58 120.51 120.79 3huw n ALA 121 Ca -0.10 0.54 -0.12 0.00 0.00 0.00 0.00 53.44 53.76 3huw n ALA 121 Cb 0.43 -0.48 -0.06 0.00 0.00 0.00 0.00 19.45 19.34 3huw n ALA 121 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3huw h GLU 122 N 0.00 -0.73 -1.80 0.00 5.08 -0.95 -1.24 114.58 114.94 3huw h GLU 122 Ca 0.39 0.05 0.52 0.00 -1.00 0.00 0.00 59.36 59.33 3huw h GLU 122 Cb 0.97 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.32 3huw h GLU 122 CO -0.43 -0.47 1.32 1.96 -1.00 0.00 0.00 179.01 180.39 3huw h GLN 123 N -1.18 0.00 0.01 2.33 4.20 0.17 0.77 115.11 121.42 3huw h GLN 123 Ca -0.08 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 3huw h GLN 123 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3huw h GLN 123 CO 0.13 0.00 -0.12 0.82 -0.67 0.00 0.00 178.83 178.99 3huw h ILE 124 N 0.00 1.69 0.00 2.54 2.04 -1.16 -2.90 117.51 119.73 3huw h ILE 124 Ca 0.86 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 64.52 3huw h ILE 124 Cb 3.49 3.17 0.00 0.00 -0.74 0.00 0.00 36.82 42.74 3huw h ILE 124 CO -0.01 0.58 0.00 -0.33 0.00 0.00 0.00 178.15 178.39 3huw h GLU 125 N -0.82 0.00 -2.55 2.37 5.08 0.16 -2.92 114.58 115.91 3huw h GLU 125 Ca -0.02 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.65 3huw h GLU 125 Cb 1.01 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.91 3huw h GLU 125 CO 0.02 0.00 0.03 0.54 -1.00 0.00 0.00 179.01 178.61 3huw n ARG 126 N -3.06 3.40 -0.02 2.33 1.74 0.70 -5.00 116.66 116.75 3huw n ARG 126 Ca -0.03 -4.62 0.00 0.00 -0.77 0.00 0.00 57.85 52.43 3huw n ARG 126 Cb 0.07 -2.38 0.00 0.00 -1.02 0.00 0.00 32.46 29.13 3huw n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3huw n ARG 127 N 1.10 0.00 -4.15 5.56 3.00 -1.10 -4.79 116.66 116.29 3huw n ARG 127 Ca 0.28 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 58.01 3huw n ARG 127 Cb 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.74 3huw n ARG 127 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 3huw s PHE 128 N 0.00 0.92 -0.85 -1.55 5.99 -1.10 -4.97 117.98 116.42 3huw s PHE 128 Ca 0.00 -1.23 -0.25 0.00 0.00 0.00 0.00 56.93 55.45 3huw s PHE 128 Cb 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 43.02 42.61 3huw s PHE 128 CO 0.00 -0.59 1.32 0.00 -0.00 0.00 0.00 175.22 175.95 3huw s ALA 129 N -4.08 2.78 0.37 11.12 0.00 -1.26 -4.87 121.76 125.82 3huw s ALA 129 Ca 0.29 -1.78 0.19 0.00 0.00 0.00 0.00 51.96 50.67 3huw s ALA 129 Cb 0.07 -4.33 1.21 0.00 0.00 0.00 0.00 23.12 20.07 3huw s ALA 129 CO 0.05 -3.37 1.65 0.28 0.00 0.00 0.00 175.76 174.37 3huw h VAL 130 N 6.31 0.23 0.00 0.00 2.07 -1.98 0.54 116.25 123.41 3huw h VAL 130 Ca -0.09 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3huw h VAL 130 Cb 1.04 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3huw h VAL 130 CO 1.32 0.04 0.00 -1.14 0.02 0.00 0.00 177.57 177.82 3huw n ARG 131 N -4.97 0.00 -0.32 1.57 3.00 -1.26 -2.81 116.66 111.87 3huw n ARG 131 Ca 0.34 0.05 -0.07 0.00 -0.00 0.00 0.00 57.85 58.16 3huw n ARG 131 Cb 1.13 -1.03 -0.06 0.00 0.00 0.00 0.00 32.46 32.50 3huw n ARG 131 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3huw n ARG 132 N -0.65 -0.32 -0.04 -0.14 0.63 -0.74 -1.30 116.66 114.10 3huw n ARG 132 Ca 0.00 1.16 -0.01 0.00 -0.92 0.00 0.00 57.85 58.08 3huw n ARG 132 Cb 0.00 -1.70 -0.01 0.00 0.45 0.00 0.00 32.46 31.20 3huw n ARG 132 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3huw n ALA 133 N -3.45 -0.07 -0.08 5.13 0.00 0.18 0.81 120.51 123.05 3huw n ALA 133 Ca 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.49 3huw n ALA 133 Cb 0.21 0.15 -0.00 0.00 0.00 0.00 0.00 19.45 19.81 3huw n ALA 133 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3huw h ILE 134 N 0.00 0.59 -0.69 0.00 1.08 -1.03 0.19 117.51 117.66 3huw h ILE 134 Ca 0.02 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.58 3huw h ILE 134 Cb 0.04 0.59 -0.11 0.00 -3.07 0.00 0.00 36.82 34.27 3huw h ILE 134 CO -0.10 0.00 -0.46 0.11 -0.69 0.00 0.00 178.15 177.01 3huw h LYS 135 N -0.07 -0.17 -0.64 2.37 1.79 0.65 1.62 116.57 122.12 3huw h LYS 135 Ca 0.15 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.68 3huw h LYS 135 Cb 0.31 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.95 3huw h LYS 135 CO -0.35 -0.11 0.38 1.96 -1.08 0.00 0.00 179.45 180.25 3huw h GLN 136 N -0.17 0.70 -0.12 3.15 4.20 0.09 1.48 115.11 124.43 3huw h GLN 136 Ca 0.20 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.88 3huw h GLN 136 Cb 0.55 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3huw h GLN 136 CO -0.76 0.46 0.03 0.00 -0.67 0.00 0.00 178.83 177.89 3huw h ALA 137 N 1.31 0.12 -0.12 3.87 0.00 0.29 -1.10 119.26 123.63 3huw h ALA 137 Ca 0.27 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 3huw h ALA 137 Cb 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3huw h ALA 137 CO -0.14 -0.42 -0.52 0.28 0.00 0.00 0.00 179.25 178.45 3huw h VAL 138 N 0.08 1.34 -0.59 0.00 2.07 0.26 -2.12 116.25 117.29 3huw h VAL 138 Ca 0.05 -1.78 0.17 0.00 0.82 0.00 0.00 66.70 65.96 3huw h VAL 138 Cb 0.04 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3huw h VAL 138 CO -0.06 0.54 0.42 -0.61 0.02 0.00 0.00 177.57 177.87 3huw h GLN 139 N 0.27 0.03 0.00 1.57 5.75 0.27 -2.65 115.11 120.35 3huw h GLN 139 Ca 0.01 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3huw h GLN 139 Cb 1.01 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.55 3huw h GLN 139 CO 0.09 0.02 0.00 0.54 -2.65 0.00 0.00 178.83 176.83 3huw n ARG 140 N -4.37 0.00 -0.37 1.69 1.74 -0.48 -2.78 116.66 112.10 3huw n ARG 140 Ca 0.11 0.00 0.27 0.00 -0.77 0.00 0.00 57.85 57.47 3huw n ARG 140 Cb 0.64 -0.49 0.42 0.00 -1.02 0.00 0.00 32.46 32.02 3huw n ARG 140 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3huw n VAL 141 N -0.44 -0.00 -0.06 1.55 0.31 -1.01 0.22 118.33 118.90 3huw n VAL 141 Ca 0.00 0.77 -0.14 0.00 -0.01 0.00 0.00 64.34 64.97 3huw n VAL 141 Cb 0.00 -1.29 -0.14 0.00 -0.91 0.00 0.00 33.84 31.50 3huw n VAL 141 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3huw n MET 142 N -3.01 0.68 -0.06 5.55 2.81 -1.00 -2.63 117.12 119.46 3huw n MET 142 Ca 0.23 0.17 -0.12 0.00 -1.81 0.00 0.00 57.70 56.18 3huw n MET 142 Cb 1.04 -1.65 -0.06 0.00 -0.71 0.00 0.00 33.22 31.84 3huw n MET 142 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3huw h GLU 143 N 0.02 0.32 0.00 0.03 4.81 0.29 -2.11 114.58 117.94 3huw h GLU 143 Ca -0.45 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3huw h GLU 143 Cb 2.06 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.42 3huw h GLU 143 CO 0.03 0.57 0.00 0.45 -0.73 0.00 0.00 179.01 179.33 3huw n SER 144 N -4.69 0.00 -2.19 1.04 2.88 0.30 -4.81 113.62 106.14 3huw n SER 144 Ca -0.05 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.47 3huw n SER 144 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 3huw n SER 144 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3huw n GLY 145 N -0.84 -0.85 0.00 0.46 0.00 -0.79 -4.89 105.19 98.27 3huw n GLY 145 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3huw n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huw n ALA 146 N -0.94 0.00 -1.72 4.61 0.00 -1.08 -5.00 120.51 116.38 3huw n ALA 146 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3huw n ALA 146 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 3huw n ALA 146 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3huw n LYS 147 N 0.00 0.00 0.00 0.00 4.76 -1.06 -4.98 118.16 116.88 3huw n LYS 147 Ca 0.00 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 3huw n LYS 147 Cb 0.00 -0.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.05 3huw n LYS 147 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3huw n GLY 148 N 0.00 2.50 3.91 0.72 0.00 -1.25 -2.45 105.19 108.62 3huw n GLY 148 Ca 0.00 0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 3huw n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huw s ALA 149 N 0.00 4.32 0.00 4.61 0.00 -0.89 -1.53 121.76 128.26 3huw s ALA 149 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.27 3huw s ALA 149 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.14 3huw s ALA 149 CO 0.00 -0.42 0.00 1.17 0.00 0.00 0.00 175.76 176.51 3huw n LYS 150 N -1.75 0.00 -3.68 0.00 4.81 -1.14 -2.54 118.16 113.85 3huw n LYS 150 Ca 0.04 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.20 3huw n LYS 150 Cb 0.63 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.52 3huw n LYS 150 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3huw s VAL 151 N 0.00 0.42 0.18 3.15 1.01 0.67 -0.42 120.40 125.41 3huw s VAL 151 Ca 0.00 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 3huw s VAL 151 Cb 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 36.38 35.19 3huw s VAL 151 CO 0.00 -0.41 0.70 -0.63 0.00 0.00 0.00 175.10 174.76 3huw s ILE 152 N 1.88 4.56 -0.32 2.22 1.01 -1.25 -3.93 121.20 125.38 3huw s ILE 152 Ca 0.03 1.35 0.18 0.00 0.00 0.00 0.00 60.65 62.22 3huw s ILE 152 Cb -0.17 -3.93 0.46 0.00 0.01 0.00 0.00 42.46 38.83 3huw s ILE 152 CO -0.17 0.35 0.97 0.52 0.00 0.00 0.00 174.94 176.61 3huw n VAL 153 N 1.12 0.96 -0.69 2.92 0.31 -0.89 -1.19 118.33 120.87 3huw n VAL 153 Ca -0.05 -2.98 -0.31 0.00 -0.01 0.00 0.00 64.34 60.99 3huw n VAL 153 Cb 0.50 0.71 0.17 0.00 -0.91 0.00 0.00 33.84 34.31 3huw n VAL 153 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3huw n SER 154 N -0.11 -0.80 0.00 4.52 3.41 -1.13 -3.77 113.62 115.74 3huw n SER 154 Ca 0.08 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 3huw n SER 154 Cb 0.82 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 3huw n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3huw n GLY 155 N 0.83 1.07 3.32 5.00 0.00 -0.75 -2.43 105.19 112.24 3huw n GLY 155 Ca 0.09 -2.11 -0.22 0.00 0.00 0.00 0.00 46.02 43.77 3huw n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huw n ARG 156 N 0.45 0.01 -2.05 1.61 1.74 -1.26 -3.50 116.66 113.67 3huw n ARG 156 Ca 0.00 -0.72 -0.38 0.00 -0.77 0.00 0.00 57.85 55.98 3huw n ARG 156 Cb 0.00 -2.15 0.01 0.00 -1.02 0.00 0.00 32.46 29.30 3huw n ARG 156 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3huw s ILE 157 N 6.84 2.64 -1.64 0.55 1.01 -1.26 -2.70 121.20 126.64 3huw s ILE 157 Ca 0.44 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.58 3huw s ILE 157 Cb 0.06 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.27 3huw s ILE 157 CO 0.19 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3huw n GLY 158 N 0.58 -0.24 4.85 6.18 0.00 -1.26 -3.04 105.19 112.27 3huw n GLY 158 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3huw n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huw n GLY 159 N -0.89 0.42 3.22 -0.02 0.00 -1.10 -4.93 105.19 101.90 3huw n GLY 159 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 3huw n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huw n ALA 160 N 0.69 -3.63 1.00 4.61 0.00 -1.17 -4.82 120.51 117.19 3huw n ALA 160 Ca 0.00 -0.44 0.14 0.00 0.00 0.00 0.00 53.44 53.14 3huw n ALA 160 Cb 0.00 -1.46 0.62 0.00 0.00 0.00 0.00 19.45 18.60 3huw n ALA 160 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3huw n GLU 161 N 0.89 0.01 -2.72 0.00 2.13 -1.26 -4.65 120.64 115.03 3huw n GLU 161 Ca 0.04 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.46 3huw n GLU 161 Cb 0.52 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.68 3huw n GLU 161 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3huw s GLN 162 N -2.99 4.78 -0.62 5.31 2.00 -1.26 -4.96 119.66 121.91 3huw s GLN 162 Ca 0.14 1.51 -0.27 0.00 -2.00 0.00 0.00 55.36 54.74 3huw s GLN 162 Cb 0.19 -3.31 0.03 0.00 0.80 0.00 0.00 33.01 30.73 3huw s GLN 162 CO 0.53 0.38 1.15 0.00 -0.50 0.00 0.00 175.29 176.85 3huw s ALA 163 N -0.75 2.97 0.18 1.58 0.00 -1.26 -4.36 121.76 120.11 3huw s ALA 163 Ca 0.44 -1.10 0.10 0.00 0.00 0.00 0.00 51.96 51.40 3huw s ALA 163 Cb -0.26 -4.02 -0.04 0.00 0.00 0.00 0.00 23.12 18.80 3huw s ALA 163 CO 0.32 -2.77 -0.22 1.03 0.00 0.00 0.00 175.76 174.11 3huw s ARG 164 N 4.91 1.42 -0.26 0.00 0.52 -1.23 -4.93 118.95 119.37 3huw s ARG 164 Ca 0.37 -1.46 -0.02 0.00 -0.52 0.00 0.00 55.73 54.10 3huw s ARG 164 Cb -0.09 -1.68 0.03 0.00 0.52 0.00 0.00 34.95 33.73 3huw s ARG 164 CO 0.21 0.36 -0.03 0.99 0.02 0.00 0.00 175.30 176.85 3huw s THR 165 N -1.70 3.07 -0.51 0.02 2.01 -1.26 -1.81 115.64 115.46 3huw s THR 165 Ca 0.18 -1.03 -0.22 0.00 0.31 0.00 0.00 61.69 60.93 3huw s THR 165 Cb -0.08 -2.60 0.04 0.00 0.01 0.00 0.00 72.50 69.88 3huw s THR 165 CO 0.08 0.13 0.80 -0.70 -0.69 0.00 0.00 174.62 174.24 3huw s GLU 166 N 1.34 3.29 0.16 4.92 2.56 -1.25 -4.90 118.70 124.82 3huw s GLU 166 Ca -0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 54.97 54.42 3huw s GLU 166 Cb -0.17 -4.03 -0.07 0.00 2.00 0.00 0.00 34.13 31.85 3huw s GLU 166 CO -0.03 -1.30 0.56 -0.46 -0.56 0.00 0.00 175.26 173.47 3huw s TRP 167 N 3.38 3.58 -0.30 5.30 -0.00 -1.26 -2.10 118.94 127.54 3huw s TRP 167 Ca 0.26 1.05 -0.17 0.00 -0.00 0.00 0.00 56.10 57.24 3huw s TRP 167 Cb -0.14 -2.37 0.21 0.00 -0.00 0.00 0.00 33.47 31.17 3huw s TRP 167 CO 0.18 0.40 1.28 0.00 -0.00 0.00 0.00 176.95 178.81 3huw s ALA 168 N -1.53 -2.66 0.00 5.86 0.00 -1.25 -5.03 121.76 117.16 3huw s ALA 168 Ca 0.40 1.95 0.00 0.00 0.00 0.00 0.00 51.96 54.31 3huw s ALA 168 Cb -0.14 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 20.99 3huw s ALA 168 CO 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 175.76 175.66 3huw n ALA 169 N 2.96 0.00 -3.55 0.00 0.00 -1.26 -0.24 120.51 118.42 3huw n ALA 169 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 3huw n ALA 169 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 3huw n ALA 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3huw s GLN 170 N -0.58 0.56 4.07 0.00 0.74 -1.05 -4.90 119.66 118.49 3huw s GLN 170 Ca 0.00 -0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.21 3huw s GLN 170 Cb 0.00 0.26 0.00 0.00 1.10 0.00 0.00 33.01 34.37 3huw s GLN 170 CO 0.00 -0.25 0.00 0.41 -0.55 0.00 0.00 175.29 174.90 3huw n GLY 171 N -0.15 1.11 3.28 2.59 0.00 -1.26 -2.10 105.19 108.66 3huw n GLY 171 Ca -0.04 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 3huw n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huw s ARG 172 N 0.00 0.84 -0.41 1.61 0.52 -1.03 -4.98 118.95 115.50 3huw s ARG 172 Ca 0.00 -0.43 0.09 0.00 -0.52 0.00 0.00 55.73 54.87 3huw s ARG 172 Cb 0.00 0.37 0.38 0.00 0.52 0.00 0.00 34.95 36.21 3huw s ARG 172 CO 0.00 -0.27 1.26 0.28 0.02 0.00 0.00 175.30 176.58 3huw n VAL 173 N 0.61 0.07 -1.59 3.52 0.31 -1.26 -3.84 118.33 116.15 3huw n VAL 173 Ca -0.19 -1.69 -0.14 0.00 -0.01 0.00 0.00 64.34 62.31 3huw n VAL 173 Cb 0.59 1.06 -0.08 0.00 -0.91 0.00 0.00 33.84 34.51 3huw n VAL 173 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3huw s PRO 174 N -0.09 1.55 0.10 5.55 0.04 -1.26 -4.72 135.00 136.17 3huw s PRO 174 Ca 0.23 0.33 0.21 0.00 0.04 0.00 0.00 61.00 61.81 3huw s PRO 174 Cb 0.38 -4.82 0.86 0.00 0.04 0.00 0.00 34.50 30.95 3huw s PRO 174 CO -0.07 -4.59 1.66 1.28 0.04 0.00 0.00 177.00 175.32 3huw n LEU 175 N 18.74 0.30 -0.82 -3.56 4.32 -1.26 -2.56 117.00 132.16 3huw n LEU 175 Ca 0.46 0.56 0.07 0.00 -0.02 0.00 0.00 56.01 57.07 3huw n LEU 175 Cb 0.44 -0.50 0.19 0.00 -1.62 0.00 0.00 43.42 41.93 3huw n LEU 175 CO 0.55 -0.29 0.66 1.41 -1.22 0.00 0.00 177.39 178.50 3huw n HIS 176 N -1.81 0.61 -4.31 -1.77 8.25 -1.26 -4.83 115.22 110.09 3huw n HIS 176 Ca 0.04 -0.29 -0.34 0.00 -0.26 0.00 0.00 57.72 56.87 3huw n HIS 176 Cb 0.25 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 31.19 3huw n HIS 176 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3huw s THR 177 N -1.47 3.03 0.03 1.59 2.01 -1.06 -5.03 115.64 114.75 3huw s THR 177 Ca 0.29 -0.63 -0.26 0.00 0.31 0.00 0.00 61.69 61.39 3huw s THR 177 Cb 0.15 -2.32 -0.17 0.00 0.01 0.00 0.00 72.50 70.17 3huw s THR 177 CO 0.19 0.48 1.42 -0.07 -0.69 0.00 0.00 174.62 175.95 3huw h LEU 178 N 7.48 -0.33 -1.14 4.42 -0.00 -1.88 -2.69 115.31 121.17 3huw h LEU 178 Ca -0.35 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 3huw h LEU 178 Cb 1.18 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 3huw h LEU 178 CO 0.59 -0.06 0.00 -2.11 -0.00 0.00 0.00 178.44 176.86 3huw n ARG 179 N -5.16 0.36 -0.07 1.13 1.85 -1.26 -3.41 116.66 110.09 3huw n ARG 179 Ca -0.10 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.67 3huw n ARG 179 Cb 0.23 -1.20 -0.04 0.00 -1.05 0.00 0.00 32.46 30.40 3huw n ARG 179 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3huw h ALA 180 N 1.45 0.05 -4.60 2.89 0.00 -1.72 -3.33 119.26 114.01 3huw h ALA 180 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3huw h ALA 180 Cb 0.21 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3huw h ALA 180 CO 0.00 0.41 -1.02 -1.71 0.00 0.00 0.00 179.25 176.93 3huw n ASN 181 N -4.61 -7.85 -3.55 0.00 5.15 -1.22 -4.39 115.26 98.79 3huw n ASN 181 Ca -0.11 1.69 -0.28 0.00 -0.60 0.00 0.00 54.58 55.28 3huw n ASN 181 Cb 0.31 -4.99 -0.15 0.00 -0.53 0.00 0.00 39.78 34.42 3huw n ASN 181 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3huw s ILE 182 N -0.58 -0.08 -0.44 -1.44 1.01 -1.26 -3.77 121.20 114.64 3huw s ILE 182 Ca -0.04 -0.66 -0.44 0.00 0.00 0.00 0.00 60.65 59.51 3huw s ILE 182 Cb 0.00 -0.92 -0.18 0.00 0.01 0.00 0.00 42.46 41.37 3huw s ILE 182 CO 0.11 -0.65 1.77 -0.67 0.00 0.00 0.00 174.94 175.50 3huw n ASP 183 N 5.26 1.48 -4.79 3.58 4.64 -1.15 -4.67 116.55 120.89 3huw n ASP 183 Ca -0.06 1.02 -0.33 0.00 -1.38 0.00 0.00 54.79 54.04 3huw n ASP 183 Cb 0.43 -0.97 0.01 0.00 -1.04 0.00 0.00 41.12 39.55 3huw n ASP 183 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 3huw s TYR 184 N 3.93 2.91 -0.32 -0.67 5.04 -1.26 -3.29 117.35 123.69 3huw s TYR 184 Ca 1.06 1.53 0.03 0.00 -2.44 0.00 0.00 57.07 57.25 3huw s TYR 184 Cb -1.36 -3.07 0.16 0.00 0.35 0.00 0.00 41.96 38.05 3huw s TYR 184 CO 0.73 -1.18 0.43 0.20 -1.34 0.00 0.00 175.55 174.39 3huw s GLY 185 N -2.52 -0.54 0.33 8.97 0.00 -0.74 -2.94 107.32 109.88 3huw s GLY 185 Ca 0.66 -0.00 0.08 0.00 0.00 0.00 0.00 44.72 45.45 3huw s GLY 185 CO 0.33 3.06 0.20 -0.12 0.00 0.00 0.00 173.10 176.58 3huw s PHE 186 N 2.27 2.83 0.03 1.90 5.36 -1.26 0.31 117.98 129.41 3huw s PHE 186 Ca 0.12 -0.32 -0.28 0.00 -0.96 0.00 0.00 56.93 55.49 3huw s PHE 186 Cb -0.12 -1.67 0.10 0.00 -0.34 0.00 0.00 43.02 40.99 3huw s PHE 186 CO -0.23 0.30 0.82 0.00 -1.46 0.00 0.00 175.22 174.66 3huw s ALA 187 N -2.34 -1.77 0.00 11.12 0.00 0.30 -4.36 121.76 124.70 3huw s ALA 187 Ca 0.38 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3huw s ALA 187 Cb -0.05 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.59 3huw s ALA 187 CO 0.24 -0.70 0.00 1.28 0.00 0.00 0.00 175.76 176.58 3huw n LEU 188 N -0.27 0.00 0.00 0.00 7.99 -1.26 -1.31 117.00 122.15 3huw n LEU 188 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.89 3huw n LEU 188 Cb 0.62 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.93 3huw n LEU 188 CO 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.99 3huw n ALA 189 N -3.00 0.00 -3.03 -1.18 0.00 -1.21 -4.19 120.51 107.90 3huw n ALA 189 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3huw n ALA 189 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3huw n ALA 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3huw n ARG 190 N -0.16 -0.57 -0.67 0.00 1.74 -1.26 -4.62 116.66 111.12 3huw n ARG 190 Ca 0.00 -0.28 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 3huw n ARG 190 Cb 0.00 0.51 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 3huw n ARG 190 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3huw n THR 191 N -0.70 0.00 0.16 0.55 -2.24 -1.10 -5.02 114.28 105.93 3huw n THR 191 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 3huw n THR 191 Cb 0.00 -1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 67.10 3huw n THR 191 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3huw h THR 192 N -0.05 0.33 0.00 4.28 2.02 -1.95 -3.33 112.91 114.20 3huw h THR 192 Ca 0.00 -0.73 -0.34 0.00 0.77 0.00 0.00 66.41 66.10 3huw h THR 192 Cb 0.00 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 3huw h THR 192 CO 0.00 0.08 1.33 0.00 0.37 0.00 0.00 175.52 177.30 3huw n TYR 193 N -5.09 0.89 -3.82 3.16 0.18 -1.26 -4.91 117.16 106.31 3huw n TYR 193 Ca -0.08 -1.92 0.00 0.00 1.88 0.00 0.00 57.90 57.78 3huw n TYR 193 Cb 0.25 -1.79 0.00 0.00 -0.38 0.00 0.00 39.34 37.42 3huw n TYR 193 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3huw n GLY 194 N 3.02 -2.07 3.91 -7.48 0.00 -1.25 -4.87 105.19 96.46 3huw n GLY 194 Ca 0.51 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 3huw n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huw s VAL 195 N 0.00 5.35 0.42 1.61 1.01 -1.26 -2.70 120.40 124.82 3huw s VAL 195 Ca 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.65 3huw s VAL 195 Cb 0.00 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 3huw s VAL 195 CO 0.00 0.15 0.04 -0.76 0.00 0.00 0.00 175.10 174.53 3huw s LEU 196 N -2.47 2.88 -0.03 3.92 2.01 -1.26 -4.55 118.68 119.18 3huw s LEU 196 Ca 0.34 -1.34 -0.00 0.00 0.01 0.00 0.00 54.13 53.14 3huw s LEU 196 Cb -0.13 -0.98 0.03 0.00 0.01 0.00 0.00 46.19 45.12 3huw s LEU 196 CO 0.27 -0.50 0.05 -0.83 1.01 0.00 0.00 176.35 176.35 3huw s GLY 197 N -3.76 0.08 -0.13 -3.19 0.00 -1.02 -3.29 107.32 96.01 3huw s GLY 197 Ca 0.34 0.36 0.01 0.00 0.00 0.00 0.00 44.72 45.43 3huw s GLY 197 CO 0.18 0.72 -0.15 0.14 0.00 0.00 0.00 173.10 173.99 3huw s VAL 198 N 1.07 1.53 0.01 1.40 1.01 -0.43 -2.86 120.40 122.13 3huw s VAL 198 Ca -0.09 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3huw s VAL 198 Cb -0.12 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3huw s VAL 198 CO -0.03 0.45 0.01 0.29 0.00 0.00 0.00 175.10 175.82 3huw n LYS 199 N 4.45 1.39 0.00 2.72 5.02 -0.34 0.11 118.16 131.51 3huw n LYS 199 Ca -0.18 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 3huw n LYS 199 Cb 0.51 0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 3huw n LYS 199 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3huw n ALA 200 N -2.97 0.00 -3.47 7.82 0.00 0.15 -3.77 120.51 118.27 3huw n ALA 200 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3huw n ALA 200 Cb 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.33 3huw n ALA 200 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3huw s TYR 201 N 0.00 3.11 -0.31 0.00 1.51 0.44 -1.80 117.35 120.31 3huw s TYR 201 Ca 0.00 -1.30 -0.07 0.00 -1.01 0.00 0.00 57.07 54.69 3huw s TYR 201 Cb 0.00 -2.15 0.01 0.00 -0.11 0.00 0.00 41.96 39.71 3huw s TYR 201 CO 0.00 -0.66 0.09 0.42 -1.11 0.00 0.00 175.55 174.29 3huw s ILE 202 N 1.40 3.99 0.06 2.71 -1.09 -1.21 -2.90 121.20 124.16 3huw s ILE 202 Ca 0.01 -0.75 -0.19 0.00 -2.23 0.00 0.00 60.65 57.49 3huw s ILE 202 Cb -0.17 -3.09 -0.06 0.00 -1.58 0.00 0.00 42.46 37.55 3huw s ILE 202 CO -0.01 0.03 0.55 0.12 -1.23 0.00 0.00 174.94 174.40 3huw s PHE 203 N 1.49 3.79 0.00 3.97 5.36 -0.58 -2.92 117.98 129.09 3huw s PHE 203 Ca 0.02 1.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.23 3huw s PHE 203 Cb -0.18 -2.48 0.00 0.00 -0.34 0.00 0.00 43.02 40.03 3huw s PHE 203 CO 0.03 0.58 0.00 1.28 -1.46 0.00 0.00 175.22 175.65 3huw n LEU 204 N 1.79 0.00 0.00 6.12 4.77 -1.25 -2.57 117.00 125.86 3huw n LEU 204 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3huw n LEU 204 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3huw n LEU 204 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3huw n GLY 205 N 4.00 1.46 0.00 -0.72 0.00 -1.26 -4.75 105.19 103.92 3huw n GLY 205 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3huw n GLY 205 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3huw n GLU 206 N 0.00 0.00 0.00 1.61 1.02 -1.25 -4.57 120.64 117.45 3huw n GLU 206 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3huw n GLU 206 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3huw n GLU 206 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3huw n VAL 207 N 0.00 0.00 0.00 2.62 0.31 -1.26 -4.85 118.33 115.15 3huw n VAL 207 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3huw n VAL 207 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3huw n VAL 207 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51