#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddu h LYS 2 N 0.00 1.30 -0.59 3.17 -0.00 -1.98 -1.00 116.57 117.46 1ddu h LYS 2 Ca 0.00 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.65 60.55 1ddu h LYS 2 Cb 0.00 -0.29 -0.03 0.00 -0.00 0.00 0.00 32.23 31.91 1ddu h LYS 2 CO 0.00 0.86 0.30 1.96 -0.00 0.00 0.00 179.45 182.57 1ddu h GLN 3 N 1.34 0.83 -0.15 0.07 7.50 -1.99 -2.28 115.11 120.43 1ddu h GLN 3 Ca 0.37 -0.11 -0.06 0.00 0.50 0.00 0.00 58.65 59.35 1ddu h GLN 3 Cb -0.13 -0.16 -0.00 0.00 0.05 0.00 0.00 27.48 27.24 1ddu h GLN 3 CO -0.09 0.66 -0.13 -0.92 -1.50 0.00 0.00 178.83 176.86 1ddu h TYR 4 N 0.80 0.42 -0.37 2.96 3.20 -1.91 -2.99 116.97 119.09 1ddu h TYR 4 Ca 0.20 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1ddu h TYR 4 Cb 0.09 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1ddu h TYR 4 CO -0.01 0.73 0.16 -0.07 -1.64 0.00 0.00 178.16 177.34 1ddu h LEU 5 N -0.01 0.45 -0.97 2.82 4.07 -1.18 -2.53 115.31 117.97 1ddu h LEU 5 Ca 0.03 -0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.85 1ddu h LEU 5 Cb 0.65 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1ddu h LEU 5 CO 0.03 0.40 -0.35 -0.33 -1.08 0.00 0.00 178.44 177.12 1ddu h GLU 6 N 0.51 0.31 -0.26 1.13 5.08 -1.31 -2.11 114.58 117.93 1ddu h GLU 6 Ca 0.13 -0.13 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1ddu h GLU 6 Cb 0.08 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1ddu h GLU 6 CO -0.02 0.62 -0.53 1.25 -1.00 0.00 0.00 179.01 179.34 1ddu h LEU 7 N 0.27 0.91 -0.83 1.33 5.85 -1.35 0.01 115.31 121.49 1ddu h LEU 7 Ca 0.03 -0.55 0.11 0.00 0.84 0.00 0.00 57.88 58.32 1ddu h LEU 7 Cb 0.74 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 1ddu h LEU 7 CO 0.06 1.28 0.46 0.24 -0.34 0.00 0.00 178.44 180.14 1ddu h MET 8 N 0.57 0.72 -0.00 1.25 2.86 -1.23 -0.64 114.93 118.44 1ddu h MET 8 Ca 0.01 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 1ddu h MET 8 Cb 1.14 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1ddu h MET 8 CO 0.12 0.47 -0.64 0.37 1.06 0.00 0.00 176.91 178.29 1ddu h GLN 9 N 0.74 0.01 -0.09 1.72 5.75 -1.33 -2.38 115.11 119.53 1ddu h GLN 9 Ca 0.42 -0.01 -0.17 0.00 -0.15 0.00 0.00 58.65 58.74 1ddu h GLN 9 Cb 0.46 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 1ddu h GLN 9 CO -0.28 0.64 -0.67 -0.22 -2.65 0.00 0.00 178.83 175.65 1ddu h LYS 10 N 0.01 0.36 -0.01 1.69 3.64 0.05 -1.50 116.57 120.80 1ddu h LYS 10 Ca -0.01 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.03 1ddu h LYS 10 Cb 1.13 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1ddu h LYS 10 CO 0.08 0.90 -0.26 0.28 -2.27 0.00 0.00 179.45 178.19 1ddu h VAL 11 N 0.26 1.51 -0.45 2.00 2.07 -1.14 0.65 116.25 121.14 1ddu h VAL 11 Ca -0.02 -1.88 0.03 0.00 0.82 0.00 0.00 66.70 65.65 1ddu h VAL 11 Cb 1.22 2.66 -0.03 0.00 -1.52 0.00 0.00 31.29 33.62 1ddu h VAL 11 CO 0.11 0.52 0.25 -0.07 0.02 0.00 0.00 177.57 178.40 1ddu h LEU 12 N -0.43 0.40 0.55 2.57 3.38 -1.49 0.11 115.31 120.40 1ddu h LEU 12 Ca -0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1ddu h LEU 12 Cb 0.99 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.67 1ddu h LEU 12 CO 0.05 0.28 -0.26 0.44 0.09 0.00 0.00 178.44 179.04 1ddu h ASP 13 N 0.51 -0.62 0.88 -0.43 3.32 -1.27 -3.37 116.42 115.43 1ddu h ASP 13 Ca 0.19 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1ddu h ASP 13 Cb 0.05 0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1ddu h ASP 13 CO -0.10 -0.24 -1.07 -0.62 -1.72 0.00 0.00 179.24 175.49 1ddu n GLU 14 N -5.29 0.58 -1.61 3.56 1.02 0.22 -5.01 120.64 114.11 1ddu n GLU 14 Ca -0.10 0.09 -0.40 0.00 -0.02 0.00 0.00 57.16 56.72 1ddu n GLU 14 Cb 0.32 -1.78 0.02 0.00 -0.02 0.00 0.00 31.44 29.98 1ddu n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ddu n GLY 15 N 1.20 -0.23 3.87 0.62 0.00 0.38 -4.97 105.19 106.07 1ddu n GLY 15 Ca -0.00 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1ddu n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ddu s THR 16 N -1.35 5.15 -0.27 2.61 2.01 -0.70 -4.73 115.64 118.35 1ddu s THR 16 Ca 0.66 -0.43 -0.20 0.00 0.31 0.00 0.00 61.69 62.03 1ddu s THR 16 Cb -0.51 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 1ddu s THR 16 CO 0.54 0.19 0.64 -1.58 -0.69 0.00 0.00 174.62 173.72 1ddu s GLN 17 N -2.29 4.06 0.24 4.92 0.74 -1.26 -1.47 119.66 124.59 1ddu s GLN 17 Ca 0.31 0.49 0.10 0.00 0.05 0.00 0.00 55.36 56.32 1ddu s GLN 17 Cb -0.13 -3.67 -0.05 0.00 1.10 0.00 0.00 33.01 30.27 1ddu s GLN 17 CO 0.23 -0.46 -0.11 0.15 -0.55 0.00 0.00 175.29 174.56 1ddu s LYS 18 N 2.55 1.98 -0.34 1.67 1.02 -0.29 -4.95 119.74 121.38 1ddu s LYS 18 Ca 0.26 -1.50 -0.12 0.00 0.02 0.00 0.00 55.97 54.63 1ddu s LYS 18 Cb -0.15 -2.01 -0.01 0.00 -0.52 0.00 0.00 37.83 35.13 1ddu s LYS 18 CO 0.09 0.37 0.23 1.21 -0.92 0.00 0.00 175.35 176.33 1ddu s ASN 19 N -3.35 5.97 0.42 2.83 3.84 -1.26 -1.31 114.94 122.08 1ddu s ASN 19 Ca 0.29 -0.45 0.07 0.00 0.21 0.00 0.00 52.86 52.98 1ddu s ASN 19 Cb -0.07 -2.11 0.01 0.00 -0.55 0.00 0.00 41.25 38.53 1ddu s ASN 19 CO 0.16 -0.23 0.58 1.51 -2.79 0.00 0.00 177.10 176.33 1ddu s ASP 20 N 1.70 5.66 0.46 -4.21 -4.77 -1.26 -4.94 116.67 109.31 1ddu s ASP 20 Ca 0.06 -0.37 0.19 0.00 -3.30 0.00 0.00 52.55 49.12 1ddu s ASP 20 Cb -0.17 -0.72 1.01 0.00 -1.09 0.00 0.00 42.92 41.95 1ddu s ASP 20 CO 0.10 -0.76 1.51 0.08 0.70 0.00 0.00 175.17 176.79 1ddu h ARG 21 N 0.62 0.00 0.00 2.11 0.11 -1.99 -1.31 114.38 113.92 1ddu h ARG 21 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1ddu h ARG 21 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1ddu h ARG 21 CO 0.46 0.00 -0.65 0.25 0.10 0.00 0.00 179.97 180.13 1ddu n THR 22 N -2.37 0.04 -0.82 0.08 -2.24 -1.26 -4.96 114.28 102.74 1ddu n THR 22 Ca -0.01 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1ddu n THR 22 Cb 0.38 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1ddu n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ddu n GLY 23 N 1.48 0.79 0.09 3.38 0.00 -0.49 -4.96 105.19 105.47 1ddu n GLY 23 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1ddu n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ddu h THR 24 N 0.00 1.37 0.00 2.61 2.02 -1.93 -3.46 112.91 113.51 1ddu h THR 24 Ca 0.00 -3.04 0.00 0.00 0.77 0.00 0.00 66.41 64.14 1ddu h THR 24 Cb 0.00 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1ddu h THR 24 CO 0.00 0.85 0.00 0.61 0.37 0.00 0.00 175.52 177.35 1ddu n GLY 25 N 1.53 -0.08 3.02 2.16 0.00 -1.26 -4.59 105.19 105.97 1ddu n GLY 25 Ca -0.10 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 1ddu n GLY 25 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ddu s THR 26 N -1.91 0.10 -0.34 2.61 -1.32 -0.43 -1.66 115.64 112.69 1ddu s THR 26 Ca 0.00 -0.82 -0.13 0.00 -1.21 0.00 0.00 61.69 59.53 1ddu s THR 26 Cb 0.00 -0.32 -0.02 0.00 -1.51 0.00 0.00 72.50 70.66 1ddu s THR 26 CO 0.00 -0.45 0.27 -0.76 -2.21 0.00 0.00 174.62 171.47 1ddu s LEU 27 N -1.41 4.52 -0.01 9.08 1.43 0.39 -1.14 118.68 131.53 1ddu s LEU 27 Ca -0.15 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1ddu s LEU 27 Cb -0.09 -2.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 1ddu s LEU 27 CO -0.00 -0.26 -0.13 -0.55 0.23 0.00 0.00 176.35 175.63 1ddu s SER 28 N 1.72 1.59 0.40 2.29 0.15 -0.54 -1.19 113.70 118.12 1ddu s SER 28 Ca 0.07 -0.25 0.06 0.00 0.70 0.00 0.00 55.95 56.54 1ddu s SER 28 Cb -0.17 -0.20 -0.07 0.00 -1.71 0.00 0.00 66.02 63.86 1ddu s SER 28 CO 0.11 0.16 0.02 0.27 1.20 0.00 0.00 173.24 175.00 1ddu s ILE 29 N -0.28 1.82 -0.12 6.45 -4.36 -0.15 -1.73 121.20 122.83 1ddu s ILE 29 Ca 0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 1ddu s ILE 29 Cb -0.06 -2.93 0.02 0.00 1.25 0.00 0.00 42.46 40.75 1ddu s ILE 29 CO -0.00 0.00 -0.10 0.12 0.24 0.00 0.00 174.94 175.20 1ddu s PHE 30 N -2.82 1.67 0.00 1.37 5.36 -1.26 -1.65 117.98 120.66 1ddu s PHE 30 Ca 0.34 -0.84 0.00 0.00 -0.96 0.00 0.00 56.93 55.47 1ddu s PHE 30 Cb 0.09 -1.31 0.00 0.00 -0.34 0.00 0.00 43.02 41.46 1ddu s PHE 30 CO 0.17 -0.52 0.00 0.41 -1.46 0.00 0.00 175.22 173.82 1ddu n GLY 31 N 4.74 -1.84 3.63 13.12 0.00 -0.20 -5.00 105.19 119.64 1ddu n GLY 31 Ca -0.15 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 1ddu n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ddu s HIS 32 N 0.00 -0.85 0.02 1.61 2.46 -0.81 -4.97 115.29 112.75 1ddu s HIS 32 Ca 0.00 1.97 0.05 0.00 0.47 0.00 0.00 55.06 57.55 1ddu s HIS 32 Cb 0.00 0.36 -0.02 0.00 -0.13 0.00 0.00 32.58 32.80 1ddu s HIS 32 CO 0.00 -0.41 -0.15 -1.14 -2.47 0.00 0.00 174.74 170.57 1ddu s GLN 33 N 0.70 1.03 -0.04 2.88 0.74 -1.26 -0.23 119.66 123.49 1ddu s GLN 33 Ca -0.02 -0.69 0.03 0.00 0.05 0.00 0.00 55.36 54.72 1ddu s GLN 33 Cb -0.05 -1.04 0.00 0.00 1.10 0.00 0.00 33.01 33.02 1ddu s GLN 33 CO -0.04 0.27 -0.11 -1.64 -0.55 0.00 0.00 175.29 173.21 1ddu s MET 34 N -0.89 1.27 -0.10 1.67 -1.94 0.60 -4.97 119.30 114.94 1ddu s MET 34 Ca 0.03 -0.39 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 1ddu s MET 34 Cb -0.07 -1.14 -0.02 0.00 2.01 0.00 0.00 34.83 35.61 1ddu s MET 34 CO 0.01 0.13 -0.10 0.50 -0.01 0.00 0.00 175.02 175.55 1ddu s ARG 35 N 0.23 3.06 -0.17 2.03 3.52 -1.26 -0.45 118.95 125.92 1ddu s ARG 35 Ca -0.05 -0.62 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 1ddu s ARG 35 Cb -0.10 -2.62 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 1ddu s ARG 35 CO 0.01 0.44 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.72 1ddu s PHE 36 N -0.23 2.48 -0.50 5.12 0.08 -0.62 -4.93 117.98 119.38 1ddu s PHE 36 Ca 0.02 -1.45 -0.25 0.00 0.12 0.00 0.00 56.93 55.37 1ddu s PHE 36 Cb -0.13 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.60 1ddu s PHE 36 CO 0.03 -0.74 0.93 1.21 -0.10 0.00 0.00 175.22 176.55 1ddu s ASN 37 N 1.39 6.43 0.00 1.36 3.84 -1.26 -0.14 114.94 126.55 1ddu s ASN 37 Ca 0.05 -0.08 0.13 0.00 0.21 0.00 0.00 52.86 53.16 1ddu s ASN 37 Cb -0.13 -2.44 0.80 0.00 -0.55 0.00 0.00 41.25 38.92 1ddu s ASN 37 CO -0.12 -1.13 1.22 0.18 -2.79 0.00 0.00 177.10 174.46 1ddu n LEU 38 N 7.30 0.00 0.11 3.21 4.32 -1.17 -1.98 117.00 128.79 1ddu n LEU 38 Ca 0.04 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.85 1ddu n LEU 38 Cb 0.48 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 42.14 1ddu n LEU 38 CO 0.64 0.00 -0.17 1.56 -1.22 0.00 0.00 177.39 178.20 1ddu h GLN 39 N 0.00 0.34 0.00 3.23 1.08 -1.83 -3.32 115.11 114.62 1ddu h GLN 39 Ca 0.00 -0.58 0.00 0.00 -1.45 0.00 0.00 58.65 56.62 1ddu h GLN 39 Cb 0.00 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1ddu h GLN 39 CO 0.00 1.26 0.00 -0.25 -0.95 0.00 0.00 178.83 178.89 1ddu n ASP 40 N -3.57 0.00 0.00 1.46 9.92 -0.84 -4.96 116.55 118.56 1ddu n ASP 40 Ca -0.13 -0.33 0.00 0.00 -0.53 0.00 0.00 54.79 53.80 1ddu n ASP 40 Cb 1.05 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 41.50 1ddu n ASP 40 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ddu n GLY 41 N -0.25 3.04 3.70 0.44 0.00 -1.25 -4.79 105.19 106.09 1ddu n GLY 41 Ca 0.09 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1ddu n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ddu s PHE 42 N -2.07 3.48 -1.20 1.61 5.36 -0.71 -4.61 117.98 119.82 1ddu s PHE 42 Ca 0.00 1.49 -0.14 0.00 -0.96 0.00 0.00 56.93 57.32 1ddu s PHE 42 Cb 0.00 -3.26 -0.06 0.00 -0.34 0.00 0.00 43.02 39.36 1ddu s PHE 42 CO 0.00 -0.59 2.26 -0.35 -1.46 0.00 0.00 175.22 175.08 1ddu n PRO 43 N 4.47 2.50 -4.14 10.12 -0.04 -1.26 -3.90 135.00 142.75 1ddu n PRO 43 Ca 0.08 -2.12 -0.35 0.00 -0.04 0.00 0.00 63.50 61.07 1ddu n PRO 43 Cb 0.48 -2.95 -0.09 0.00 -0.04 0.00 0.00 33.50 30.90 1ddu n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ddu s LEU 44 N 1.18 3.86 0.46 1.53 2.96 -1.26 -4.05 118.68 123.36 1ddu s LEU 44 Ca 0.53 0.21 -0.23 0.00 -0.22 0.00 0.00 54.13 54.42 1ddu s LEU 44 Cb 0.14 -1.93 -0.07 0.00 0.50 0.00 0.00 46.19 44.83 1ddu s LEU 44 CO -0.02 0.33 1.16 0.68 -1.32 0.00 0.00 176.35 177.18 1ddu s VAL 45 N -0.55 3.10 -0.15 1.68 -7.23 -1.26 -4.82 120.40 111.16 1ddu s VAL 45 Ca 0.10 0.82 0.09 0.00 -1.81 0.00 0.00 61.98 61.19 1ddu s VAL 45 Cb -0.12 -3.41 -0.12 0.00 0.56 0.00 0.00 36.38 33.29 1ddu s VAL 45 CO 0.02 -0.02 0.26 0.35 -0.31 0.00 0.00 175.10 175.40 1ddu n THR 46 N -0.53 0.00 1.93 5.32 -2.24 -1.26 -4.49 114.28 113.01 1ddu n THR 46 Ca 0.08 -0.24 0.09 0.00 -2.27 0.00 0.00 64.05 61.71 1ddu n THR 46 Cb 0.48 0.54 0.54 0.00 -2.10 0.00 0.00 70.33 69.79 1ddu n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ddu n THR 47 N -1.60 0.02 -3.63 4.28 -2.24 -1.26 -0.63 114.28 109.22 1ddu n THR 47 Ca -0.00 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 1ddu n THR 47 Cb 0.20 -0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.13 1ddu n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1ddu s LYS 48 N -1.98 0.77 -0.29 -0.78 -2.85 -1.26 -4.60 119.74 108.75 1ddu s LYS 48 Ca 0.28 0.85 -0.29 0.00 -1.00 0.00 0.00 55.97 55.82 1ddu s LYS 48 Cb 0.13 0.37 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 1ddu s LYS 48 CO 0.22 -0.10 1.63 0.50 0.10 0.00 0.00 175.35 177.70 1ddu s ARG 49 N 0.23 3.62 0.04 1.78 3.52 -0.73 -4.73 118.95 122.68 1ddu s ARG 49 Ca 0.00 1.46 -0.07 0.00 -0.13 0.00 0.00 55.73 56.99 1ddu s ARG 49 Cb -0.05 -4.08 -0.05 0.00 -1.56 0.00 0.00 34.95 29.21 1ddu s ARG 49 CO -0.00 -1.51 0.31 0.00 -0.81 0.00 0.00 175.30 173.29 1ddu s HIS 51 N -1.38 3.30 -0.75 0.00 0.09 -1.26 -4.97 115.29 110.33 1ddu s HIS 51 Ca 0.31 -1.35 0.24 0.00 -0.00 0.00 0.00 55.06 54.26 1ddu s HIS 51 Cb -0.13 -2.73 0.91 0.00 -0.00 0.00 0.00 32.58 30.64 1ddu s HIS 51 CO 0.18 -0.78 1.74 -0.11 -0.00 0.00 0.00 174.74 175.77 1ddu n LEU 52 N 4.93 0.49 0.15 0.89 7.94 -1.26 -3.68 117.00 126.46 1ddu n LEU 52 Ca -0.11 0.58 0.01 0.00 -1.11 0.00 0.00 56.01 55.38 1ddu n LEU 52 Cb 0.44 -0.46 0.34 0.00 0.53 0.00 0.00 43.42 44.26 1ddu n LEU 52 CO 0.37 -0.28 0.75 0.08 -1.11 0.00 0.00 177.39 177.21 1ddu h ARG 53 N 0.00 0.12 0.05 1.96 -0.00 -2.00 -2.08 114.38 112.43 1ddu h ARG 53 Ca 0.00 -0.04 -0.28 0.00 -0.00 0.00 0.00 59.98 59.66 1ddu h ARG 53 Cb 0.50 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.97 30.44 1ddu h ARG 53 CO 0.00 0.43 -1.48 0.77 -0.00 0.00 0.00 179.97 179.69 1ddu h SER 54 N 0.10 0.17 -0.84 0.08 0.02 -1.96 -3.12 113.55 108.01 1ddu h SER 54 Ca 0.01 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1ddu h SER 54 Cb 0.62 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.06 1ddu h SER 54 CO 0.05 1.22 0.52 0.40 -1.14 0.00 0.00 176.83 177.88 1ddu h ILE 55 N 0.03 1.23 0.07 3.27 2.04 -1.64 -2.85 117.51 119.67 1ddu h ILE 55 Ca -0.21 -0.47 -0.30 0.00 1.00 0.00 0.00 64.86 64.88 1ddu h ILE 55 Cb 1.96 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1ddu h ILE 55 CO 0.12 0.23 -1.58 -0.29 0.00 0.00 0.00 178.15 176.64 1ddu h ILE 56 N 1.15 1.06 -0.02 -0.67 -0.00 -1.50 -3.08 117.51 114.45 1ddu h ILE 56 Ca 0.30 -2.78 -0.12 0.00 -0.00 0.00 0.00 64.86 62.26 1ddu h ILE 56 Cb -0.07 2.64 -0.02 0.00 -0.00 0.00 0.00 36.82 39.38 1ddu h ILE 56 CO -0.06 0.76 -0.54 0.45 -0.00 0.00 0.00 178.15 178.75 1ddu h HIS 57 N 0.04 0.08 -0.27 2.19 3.86 -1.61 -2.57 115.15 116.88 1ddu h HIS 57 Ca -0.25 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 58.85 1ddu h HIS 57 Cb 1.99 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 30.44 1ddu h HIS 57 CO 0.04 0.59 -0.15 1.49 0.86 0.00 0.00 177.93 180.76 1ddu h GLU 58 N 0.05 0.58 -0.16 2.45 4.81 -1.62 -0.38 114.58 120.31 1ddu h GLU 58 Ca -0.00 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 58.89 1ddu h GLU 58 Cb 0.98 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1ddu h GLU 58 CO 0.07 0.84 -0.24 1.25 -0.73 0.00 0.00 179.01 180.20 1ddu h LEU 59 N 0.31 0.28 -0.41 1.64 5.85 -1.45 -0.31 115.31 121.22 1ddu h LEU 59 Ca 0.06 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 1ddu h LEU 59 Cb 0.68 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1ddu h LEU 59 CO 0.04 0.53 -0.53 -0.07 -0.34 0.00 0.00 178.44 178.08 1ddu h LEU 60 N 0.26 0.00 -0.25 2.25 3.38 -1.44 -2.23 115.31 117.27 1ddu h LEU 60 Ca 0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1ddu h LEU 60 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1ddu h LEU 60 CO 0.04 0.53 -0.22 -0.25 0.09 0.00 0.00 178.44 178.62 1ddu h TRP 61 N 0.00 0.71 -0.34 1.13 7.01 -0.68 -2.81 115.95 120.98 1ddu h TRP 61 Ca -0.01 -0.21 0.03 0.00 2.11 0.00 0.00 58.89 60.82 1ddu h TRP 61 Cb 1.23 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 28.11 1ddu h TRP 61 CO 0.00 0.91 0.13 0.74 -2.79 0.00 0.00 178.44 177.43 1ddu h PHE 62 N 0.32 0.24 0.00 2.65 0.04 -1.08 -3.01 116.94 116.09 1ddu h PHE 62 Ca 0.04 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1ddu h PHE 62 Cb 0.77 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.86 1ddu h PHE 62 CO 0.07 0.11 0.00 -0.07 -0.60 0.00 0.00 178.31 177.82 1ddu h LEU 63 N 0.29 0.00 0.00 1.54 3.38 -1.43 -2.76 115.31 116.33 1ddu h LEU 63 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ddu h LEU 63 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1ddu h LEU 63 CO -0.14 0.00 -0.14 1.56 0.09 0.00 0.00 178.44 179.81 1ddu h GLN 64 N 0.00 0.00 0.00 1.13 7.50 -1.36 -3.47 115.11 118.91 1ddu h GLN 64 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1ddu h GLN 64 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.91 1ddu h GLN 64 CO 0.00 0.01 0.00 0.41 -1.50 0.00 0.00 178.83 177.75 1ddu n GLY 65 N 1.11 0.45 3.86 3.46 0.00 -1.04 -5.04 105.19 107.99 1ddu n GLY 65 Ca 0.03 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 1ddu n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ddu s ASP 66 N -2.95 6.39 -0.06 1.61 2.15 -1.19 -4.24 116.67 118.39 1ddu s ASP 66 Ca 0.00 0.47 0.09 0.00 0.43 0.00 0.00 52.55 53.54 1ddu s ASP 66 Cb 0.00 -2.08 0.13 0.00 -0.30 0.00 0.00 42.92 40.67 1ddu s ASP 66 CO 0.00 0.38 1.03 0.35 -0.17 0.00 0.00 175.17 176.75 1ddu n THR 67 N 2.16 1.21 -4.85 1.71 -2.24 -1.26 -4.36 114.28 106.64 1ddu n THR 67 Ca -0.19 -1.39 -0.33 0.00 -2.27 0.00 0.00 64.05 59.87 1ddu n THR 67 Cb 0.54 0.20 -0.14 0.00 -2.10 0.00 0.00 70.33 68.84 1ddu n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ddu s ASN 68 N -1.78 3.99 0.00 3.42 3.84 -1.26 -1.69 114.94 121.46 1ddu s ASN 68 Ca 0.15 -0.26 0.10 0.00 0.21 0.00 0.00 52.86 53.05 1ddu s ASN 68 Cb 0.13 -1.20 0.55 0.00 -0.55 0.00 0.00 41.25 40.17 1ddu s ASN 68 CO 0.01 0.26 1.11 2.30 -2.79 0.00 0.00 177.10 177.99 1ddu n ILE 69 N 2.88 0.35 0.06 -5.21 -6.64 -0.61 -4.10 119.36 106.10 1ddu n ILE 69 Ca -0.18 0.09 -0.16 0.00 -1.77 0.00 0.00 62.75 60.73 1ddu n ILE 69 Cb 0.52 -0.93 -0.10 0.00 -1.44 0.00 0.00 39.64 37.69 1ddu n ILE 69 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1ddu h ALA 70 N 2.55 -0.96 -0.94 -1.28 0.00 -1.94 0.00 119.26 116.70 1ddu h ALA 70 Ca 0.00 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.98 1ddu h ALA 70 Cb 0.04 0.95 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1ddu h ALA 70 CO 0.00 -1.12 0.60 -0.92 0.00 0.00 0.00 179.25 177.81 1ddu h TYR 71 N -0.69 0.90 0.00 0.00 3.20 -2.01 -0.17 116.97 118.20 1ddu h TYR 71 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1ddu h TYR 71 Cb 0.73 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1ddu h TYR 71 CO -0.51 0.29 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.17 1ddu h LEU 72 N 0.72 0.00 0.09 2.82 3.38 -1.45 -2.91 115.31 117.96 1ddu h LEU 72 Ca 0.49 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.18 1ddu h LEU 72 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1ddu h LEU 72 CO -0.25 0.06 -1.44 0.45 0.09 0.00 0.00 178.44 177.35 1ddu h HIS 73 N 0.00 0.33 0.00 1.13 3.86 0.78 -1.16 115.15 120.08 1ddu h HIS 73 Ca -0.00 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 58.96 1ddu h HIS 73 Cb 0.61 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.07 1ddu h HIS 73 CO 0.00 1.26 -0.05 0.93 0.86 0.00 0.00 177.93 180.94 1ddu h GLU 74 N 0.05 0.00 -0.55 2.45 5.08 -1.27 -1.89 114.58 118.45 1ddu h GLU 74 Ca -0.20 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.91 1ddu h GLU 74 Cb 1.97 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 31.07 1ddu h GLU 74 CO 0.15 0.05 0.15 0.09 -1.00 0.00 0.00 179.01 178.45 1ddu n ASN 75 N -3.98 3.16 -1.73 1.42 4.13 -1.12 -4.97 115.26 112.18 1ddu n ASN 75 Ca -0.03 -3.61 -0.13 0.00 1.68 0.00 0.00 54.58 52.49 1ddu n ASN 75 Cb 0.13 -0.69 -0.04 0.00 -1.54 0.00 0.00 39.78 37.64 1ddu n ASN 75 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1ddu n ASN 76 N -0.99 -3.57 -4.52 6.41 5.03 -0.71 -4.94 115.26 111.97 1ddu n ASN 76 Ca 0.40 0.27 -0.37 0.00 0.87 0.00 0.00 54.58 55.75 1ddu n ASN 76 Cb 1.22 -3.24 -0.12 0.00 -1.02 0.00 0.00 39.78 36.63 1ddu n ASN 76 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ddu s VAL 77 N -2.26 4.83 -1.85 2.41 0.11 -0.44 -4.98 120.40 118.21 1ddu s VAL 77 Ca 0.00 -0.02 0.22 0.00 -2.93 0.00 0.00 61.98 59.25 1ddu s VAL 77 Cb 0.00 -3.29 0.63 0.00 -1.53 0.00 0.00 36.38 32.19 1ddu s VAL 77 CO 0.00 0.28 1.53 1.07 -3.33 0.00 0.00 175.10 174.64 1ddu n THR 78 N 5.00 1.04 0.29 5.04 5.66 -1.26 -4.25 114.28 125.79 1ddu n THR 78 Ca -0.15 -1.01 0.19 0.00 -3.05 0.00 0.00 64.05 60.03 1ddu n THR 78 Cb 0.52 0.48 1.03 0.00 -1.55 0.00 0.00 70.33 70.81 1ddu n THR 78 CO 0.00 0.00 0.00 0.16 -3.05 0.00 0.00 175.07 172.18 1ddu h ILE 79 N 4.13 0.00 -0.17 1.09 3.07 -1.94 -3.15 117.51 120.54 1ddu h ILE 79 Ca 0.00 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.40 1ddu h ILE 79 Cb 1.00 0.86 0.00 0.00 -0.27 0.00 0.00 36.82 38.41 1ddu h ILE 79 CO 0.01 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.90 1ddu n TRP 80 N -2.84 0.29 0.24 0.16 7.02 -1.26 -4.88 117.44 116.17 1ddu n TRP 80 Ca -0.02 -0.59 -0.15 0.00 -1.02 0.00 0.00 57.50 55.72 1ddu n TRP 80 Cb 0.07 -0.08 -0.08 0.00 -2.42 0.00 0.00 31.31 28.79 1ddu n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1ddu h ASP 81 N 1.01 -0.50 0.18 -0.99 5.19 -1.91 -3.01 116.42 116.38 1ddu h ASP 81 Ca 0.00 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1ddu h ASP 81 Cb 0.74 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.38 1ddu h ASP 81 CO 0.02 -0.26 0.00 -1.84 -3.12 0.00 0.00 179.24 174.04 1ddu n GLU 82 N -5.29 0.30 -0.00 3.56 0.00 -1.26 -2.50 120.64 115.44 1ddu n GLU 82 Ca -0.11 0.10 0.06 0.00 0.00 0.00 0.00 57.16 57.21 1ddu n GLU 82 Cb 0.28 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.14 1ddu n GLU 82 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1ddu n TRP 83 N -1.18 0.00 -2.10 -1.84 8.01 -1.17 -5.02 117.44 114.14 1ddu n TRP 83 Ca 0.09 0.00 -0.31 0.00 -1.31 0.00 0.00 57.50 55.97 1ddu n TRP 83 Cb 0.09 -0.09 -0.00 0.00 -2.01 0.00 0.00 31.31 29.31 1ddu n TRP 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ddu s ALA 84 N -2.39 3.15 0.94 6.99 0.00 -1.04 -4.80 121.76 124.60 1ddu s ALA 84 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1ddu s ALA 84 Cb 0.09 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1ddu s ALA 84 CO 0.52 -0.54 0.00 -0.40 0.00 0.00 0.00 175.76 175.34 1ddu n ASP 85 N -2.44 0.00 0.00 0.00 5.68 -0.69 -4.86 116.55 114.24 1ddu n ASP 85 Ca 0.05 -0.52 0.13 0.00 -0.50 0.00 0.00 54.79 53.96 1ddu n ASP 85 Cb 0.54 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.22 1ddu n ASP 85 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1ddu n GLU 86 N -0.52 0.43 0.00 0.11 2.13 -1.26 -2.71 120.64 118.82 1ddu n GLU 86 Ca 0.00 0.03 0.07 0.00 0.66 0.00 0.00 57.16 57.92 1ddu n GLU 86 Cb 0.00 -1.50 0.04 0.00 0.27 0.00 0.00 31.44 30.25 1ddu n GLU 86 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ddu n ASN 87 N -1.26 1.97 0.00 4.31 4.13 -1.26 -5.00 115.26 118.15 1ddu n ASN 87 Ca 0.14 -1.48 0.00 0.00 1.68 0.00 0.00 54.58 54.91 1ddu n ASN 87 Cb 0.20 0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.63 1ddu n ASN 87 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ddu n GLY 88 N 0.94 1.06 3.76 7.41 0.00 -1.10 -4.97 105.19 112.28 1ddu n GLY 88 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1ddu n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ddu s ASP 89 N -2.37 7.31 0.00 1.61 1.01 -1.26 -1.57 116.67 121.40 1ddu s ASP 89 Ca 0.00 2.23 0.20 0.00 0.71 0.00 0.00 52.55 55.69 1ddu s ASP 89 Cb 0.00 -2.62 0.37 0.00 1.01 0.00 0.00 42.92 41.68 1ddu s ASP 89 CO 0.00 -0.11 1.32 0.18 0.21 0.00 0.00 175.17 176.77 1ddu n LEU 90 N 1.24 3.23 0.00 1.23 4.77 -0.68 -1.70 117.00 125.09 1ddu n LEU 90 Ca -0.01 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 1ddu n LEU 90 Cb 0.45 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1ddu n LEU 90 CO 0.54 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 1ddu n GLY 91 N 1.26 -1.74 2.35 -0.72 0.00 -1.26 -0.86 105.19 104.22 1ddu n GLY 91 Ca 0.17 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 1ddu n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ddu n PRO 92 N -0.40 3.89 -0.30 1.61 -0.04 -1.25 -4.80 135.00 133.70 1ddu n PRO 92 Ca 0.00 -2.54 -0.06 0.00 -0.04 0.00 0.00 63.50 60.87 1ddu n PRO 92 Cb 0.00 -2.70 0.05 0.00 -0.04 0.00 0.00 33.50 30.80 1ddu n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1ddu n VAL 93 N 2.92 0.00 0.00 0.52 0.24 -1.26 -4.43 118.33 116.33 1ddu n VAL 93 Ca 0.72 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.87 1ddu n VAL 93 Cb 0.27 -1.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.15 1ddu n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1ddu n TYR 94 N -2.66 0.00 -0.33 6.34 4.01 -1.26 -1.00 117.16 122.26 1ddu n TYR 94 Ca 0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.82 1ddu n TYR 94 Cb 0.12 -0.31 0.20 0.00 -0.31 0.00 0.00 39.34 39.04 1ddu n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ddu h GLY 95 N 0.00 1.46 1.10 2.72 0.00 -1.76 -0.39 103.07 106.19 1ddu h GLY 95 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 47.33 46.83 1ddu h GLY 95 CO 0.00 0.17 -0.18 1.70 0.00 0.00 0.00 176.54 178.23 1ddu h LYS 96 N 0.92 1.02 -0.46 4.80 3.11 -1.24 -1.53 116.57 123.17 1ddu h LYS 96 Ca 0.44 -0.41 -0.14 0.00 -2.81 0.00 0.00 60.65 57.73 1ddu h LYS 96 Cb 0.39 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 1ddu h LYS 96 CO -0.25 1.10 -0.26 1.96 -2.81 0.00 0.00 179.45 179.20 1ddu h GLN 97 N 0.88 0.99 -0.21 1.90 1.08 -1.35 0.74 115.11 119.14 1ddu h GLN 97 Ca 0.12 -0.44 -0.03 0.00 -1.45 0.00 0.00 58.65 56.85 1ddu h GLN 97 Cb 0.75 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.16 1ddu h GLN 97 CO 0.06 1.12 0.02 -1.49 -0.95 0.00 0.00 178.83 177.58 1ddu h TRP 98 N 0.84 0.39 0.00 2.96 4.06 -1.03 -3.05 115.95 120.12 1ddu h TRP 98 Ca 0.10 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.99 1ddu h TRP 98 Cb 0.84 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.90 1ddu h TRP 98 CO 0.06 0.53 -1.35 0.54 -3.56 0.00 0.00 178.44 174.65 1ddu n ARG 99 N -4.70 0.59 -2.70 0.49 5.12 -0.58 -1.08 116.66 113.80 1ddu n ARG 99 Ca -0.04 -0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.80 1ddu n ARG 99 Cb 0.21 -1.70 0.09 0.00 -1.16 0.00 0.00 32.46 29.90 1ddu n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ddu n ALA 100 N -2.17 1.94 -1.75 7.54 0.00 0.25 -3.91 120.51 122.41 1ddu n ALA 100 Ca -0.01 -1.96 -0.42 0.00 0.00 0.00 0.00 53.44 51.04 1ddu n ALA 100 Cb 0.55 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 1ddu n ALA 100 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1ddu s TRP 101 N -0.98 1.46 -0.16 0.00 -0.11 -0.40 -4.55 118.94 114.20 1ddu s TRP 101 Ca 0.24 -0.30 -0.29 0.00 1.22 0.00 0.00 56.10 56.96 1ddu s TRP 101 Cb 0.42 -4.17 -0.01 0.00 -1.50 0.00 0.00 33.47 28.20 1ddu s TRP 101 CO -0.04 -5.17 1.21 -1.25 -4.62 0.00 0.00 176.95 167.08 1ddu s PRO 102 N 4.31 4.26 0.96 5.86 0.04 -1.26 -0.74 135.00 148.43 1ddu s PRO 102 Ca 0.85 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 63.38 1ddu s PRO 102 Cb -0.41 -3.71 0.17 0.00 0.04 0.00 0.00 34.50 30.59 1ddu s PRO 102 CO 0.39 -0.64 1.09 0.95 0.04 0.00 0.00 177.00 178.83 1ddu s THR 103 N 3.20 2.27 0.25 1.26 -4.23 -0.90 -4.97 115.64 112.52 1ddu s THR 103 Ca 0.53 0.09 0.22 0.00 -1.18 0.00 0.00 61.69 61.35 1ddu s THR 103 Cb -0.21 -2.58 0.21 0.00 1.34 0.00 0.00 72.50 71.26 1ddu s THR 103 CO 0.15 -0.11 1.87 -0.65 -0.54 0.00 0.00 174.62 175.33 1ddu h PRO 104 N -1.77 0.00 -1.30 3.99 0.11 -1.98 -3.30 132.00 127.75 1ddu h PRO 104 Ca -0.53 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.13 1ddu h PRO 104 Cb 1.31 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.23 1ddu h PRO 104 CO 0.57 0.25 0.59 -0.40 -0.21 0.00 0.00 178.00 178.80 1ddu n ASP 105 N -3.57 6.76 0.00 -2.05 5.68 -1.26 -4.96 116.55 117.15 1ddu n ASP 105 Ca -0.01 -3.34 0.00 0.00 -0.50 0.00 0.00 54.79 50.95 1ddu n ASP 105 Cb 0.39 -1.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 1ddu n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ddu n GLY 106 N -0.18 2.12 3.34 6.12 0.00 -1.24 -5.01 105.19 110.34 1ddu n GLY 106 Ca 0.43 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1ddu n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddu n ARG 107 N 0.00 -1.64 -4.20 1.61 1.74 -1.26 -4.74 116.66 108.17 1ddu n ARG 107 Ca 0.00 -0.46 -0.14 0.00 -0.77 0.00 0.00 57.85 56.48 1ddu n ARG 107 Cb 0.00 -1.83 -0.10 0.00 -1.02 0.00 0.00 32.46 29.50 1ddu n ARG 107 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1ddu s HIS 108 N -2.30 1.13 -0.12 -1.55 3.76 -1.26 -2.13 115.29 112.82 1ddu s HIS 108 Ca 0.59 -0.71 0.01 0.00 -0.15 0.00 0.00 55.06 54.81 1ddu s HIS 108 Cb -0.16 -0.60 0.02 0.00 1.11 0.00 0.00 32.58 32.94 1ddu s HIS 108 CO 0.66 0.02 -0.15 0.42 -0.85 0.00 0.00 174.74 174.84 1ddu s ILE 109 N -2.82 1.53 -0.71 0.60 1.01 0.08 -4.90 121.20 115.99 1ddu s ILE 109 Ca 0.10 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.93 1ddu s ILE 109 Cb -0.00 -1.41 0.14 0.00 0.01 0.00 0.00 42.46 41.19 1ddu s ILE 109 CO -0.00 0.45 0.79 -0.62 0.00 0.00 0.00 174.94 175.56 1ddu s ASP 110 N 1.19 6.41 0.49 3.58 -1.08 -1.25 -1.28 116.67 124.72 1ddu s ASP 110 Ca -0.02 -1.87 0.18 0.00 -0.52 0.00 0.00 52.55 50.32 1ddu s ASP 110 Cb -0.14 -2.29 1.23 0.00 -1.46 0.00 0.00 42.92 40.25 1ddu s ASP 110 CO -0.05 -0.96 2.07 1.56 0.52 0.00 0.00 175.17 178.31 1ddu h GLN 111 N 8.77 0.00 0.03 4.34 4.20 -1.35 -0.52 115.11 130.58 1ddu h GLN 111 Ca -0.11 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 1ddu h GLN 111 Cb 1.06 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.85 1ddu h GLN 111 CO 1.02 0.11 -0.31 0.82 -0.67 0.00 0.00 178.83 179.80 1ddu h ILE 112 N 0.00 1.61 -0.62 2.54 1.08 -1.91 -1.34 117.51 118.86 1ddu h ILE 112 Ca -0.00 -2.19 0.07 0.00 -0.39 0.00 0.00 64.86 62.36 1ddu h ILE 112 Cb 0.21 3.04 -0.04 0.00 -3.07 0.00 0.00 36.82 36.96 1ddu h ILE 112 CO 0.01 0.59 0.41 0.74 -0.69 0.00 0.00 178.15 179.22 1ddu h THR 113 N -0.61 0.97 -0.26 -0.27 2.02 -1.87 0.25 112.91 113.14 1ddu h THR 113 Ca -0.05 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1ddu h THR 113 Cb 1.14 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1ddu h THR 113 CO 0.06 0.10 0.07 0.74 0.37 0.00 0.00 175.52 176.86 1ddu h THR 114 N 0.56 1.21 -0.36 3.16 2.02 -1.06 -2.20 112.91 116.25 1ddu h THR 114 Ca 0.28 -0.68 -0.12 0.00 0.77 0.00 0.00 66.41 66.65 1ddu h THR 114 Cb 0.36 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1ddu h THR 114 CO -0.08 0.22 -0.25 0.58 0.37 0.00 0.00 175.52 176.36 1ddu h VAL 115 N 0.24 1.27 -0.05 3.16 2.07 -0.54 -1.64 116.25 120.77 1ddu h VAL 115 Ca 0.08 -1.36 0.02 0.00 0.82 0.00 0.00 66.70 66.26 1ddu h VAL 115 Cb 0.27 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1ddu h VAL 115 CO 0.00 0.45 -0.06 -0.07 0.02 0.00 0.00 177.57 177.91 1ddu h LEU 116 N 0.63 -0.18 -1.34 2.57 -0.00 -0.48 -0.93 115.31 115.57 1ddu h LEU 116 Ca 0.08 0.04 -0.07 0.00 -0.00 0.00 0.00 57.88 57.93 1ddu h LEU 116 Cb 0.75 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.49 1ddu h LEU 116 CO 0.06 -0.09 -0.28 0.78 -0.00 0.00 0.00 178.44 178.91 1ddu h ASN 117 N -0.08 0.08 -0.28 -0.43 -0.26 -1.22 -1.99 115.58 111.39 1ddu h ASN 117 Ca 0.04 -0.02 -0.14 0.00 -0.56 0.00 0.00 56.30 55.62 1ddu h ASN 117 Cb 0.14 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.38 1ddu h ASN 117 CO -0.10 0.36 -0.37 1.56 -1.06 0.00 0.00 177.43 177.83 1ddu h GLN 118 N 0.07 0.75 0.00 0.81 4.20 -0.76 0.11 115.11 120.30 1ddu h GLN 118 Ca 0.01 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.26 1ddu h GLN 118 Cb 0.54 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 1ddu h GLN 118 CO 0.04 1.05 -0.14 -0.07 -0.67 0.00 0.00 178.83 179.04 1ddu h LEU 119 N 0.50 0.00 0.00 1.46 3.38 -0.96 0.12 115.31 119.81 1ddu h LEU 119 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ddu h LEU 119 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1ddu h LEU 119 CO 0.09 0.14 -1.06 0.29 0.09 0.00 0.00 178.44 177.98 1ddu n LYS 120 N -3.37 0.07 0.00 1.13 5.02 -0.77 -4.36 118.16 115.88 1ddu n LYS 120 Ca -0.00 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1ddu n LYS 120 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1ddu n LYS 120 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ddu n ASN 121 N -1.59 2.20 -3.14 4.39 4.13 0.38 -4.92 115.26 116.72 1ddu n ASN 121 Ca 0.03 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.09 1ddu n ASN 121 Cb 0.36 0.40 -0.04 0.00 -1.54 0.00 0.00 39.78 38.96 1ddu n ASN 121 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1ddu n ASP 122 N -0.75 0.04 0.28 6.41 2.03 0.37 -5.00 116.55 119.93 1ddu n ASP 122 Ca 0.00 -2.89 0.16 0.00 0.52 0.00 0.00 54.79 52.58 1ddu n ASP 122 Cb 0.04 -0.33 0.79 0.00 -0.72 0.00 0.00 41.12 40.90 1ddu n ASP 122 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1ddu h PRO 123 N 3.62 0.00 -0.00 -0.67 0.13 -1.65 -2.52 132.00 130.90 1ddu h PRO 123 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1ddu h PRO 123 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1ddu h PRO 123 CO 0.45 0.06 -0.00 -0.25 -0.23 0.00 0.00 178.00 178.02 1ddu n ASP 124 N -3.27 0.02 -4.67 1.44 8.00 -1.26 -4.10 116.55 112.71 1ddu n ASP 124 Ca -0.01 -0.34 -0.45 0.00 0.71 0.00 0.00 54.79 54.70 1ddu n ASP 124 Cb 0.25 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1ddu n ASP 124 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ddu n SER 125 N -1.21 2.69 -1.13 -2.24 2.88 -0.95 -4.92 113.62 108.74 1ddu n SER 125 Ca 0.16 1.14 0.09 0.00 -1.33 0.00 0.00 58.87 58.94 1ddu n SER 125 Cb 0.22 -1.42 0.27 0.00 -0.75 0.00 0.00 64.21 62.52 1ddu n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ddu n ARG 126 N 2.04 2.51 -1.27 -1.46 1.74 -1.26 -4.12 116.66 114.85 1ddu n ARG 126 Ca 0.12 -2.15 -0.10 0.00 -0.77 0.00 0.00 57.85 54.94 1ddu n ARG 126 Cb 0.31 -1.51 0.12 0.00 -1.02 0.00 0.00 32.46 30.36 1ddu n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ddu n ARG 127 N 1.17 2.53 -2.99 5.56 1.74 -1.26 -4.92 116.66 118.49 1ddu n ARG 127 Ca 0.20 -3.65 -0.44 0.00 -0.77 0.00 0.00 57.85 53.18 1ddu n ARG 127 Cb 0.54 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1ddu n ARG 127 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ddu n ILE 128 N -0.94 4.30 -4.80 0.55 5.41 -1.26 -4.93 119.36 117.69 1ddu n ILE 128 Ca 0.34 -4.81 -0.26 0.00 1.00 0.00 0.00 62.75 59.02 1ddu n ILE 128 Cb 0.86 -2.48 -0.15 0.00 -0.71 0.00 0.00 39.64 37.16 1ddu n ILE 128 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1ddu s ILE 129 N 1.17 1.67 -0.05 1.39 1.01 -1.26 -0.37 121.20 124.75 1ddu s ILE 129 Ca 0.41 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1ddu s ILE 129 Cb -0.03 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 41.02 1ddu s ILE 129 CO -0.01 0.31 -0.11 0.54 0.00 0.00 0.00 174.94 175.68 1ddu s VAL 130 N -0.67 1.00 0.02 2.92 0.11 -0.43 -4.89 120.40 118.46 1ddu s VAL 130 Ca 0.08 -0.43 0.07 0.00 -2.93 0.00 0.00 61.98 58.77 1ddu s VAL 130 Cb -0.08 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1ddu s VAL 130 CO 0.01 0.32 -0.21 -0.55 -3.33 0.00 0.00 175.10 171.33 1ddu s SER 131 N 0.50 2.53 0.00 3.54 0.15 -1.26 -1.33 113.70 117.82 1ddu s SER 131 Ca -0.10 -0.48 0.06 0.00 0.70 0.00 0.00 55.95 56.13 1ddu s SER 131 Cb -0.13 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 63.91 1ddu s SER 131 CO 0.02 0.20 0.36 0.00 1.20 0.00 0.00 173.24 175.02 1ddu n ALA 132 N 2.09 2.69 -2.59 5.45 0.00 -0.24 -4.65 120.51 123.26 1ddu n ALA 132 Ca -0.16 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 1ddu n ALA 132 Cb 0.53 -0.21 -0.01 0.00 0.00 0.00 0.00 19.45 19.76 1ddu n ALA 132 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1ddu s TRP 133 N -1.31 2.73 -0.53 0.00 -0.11 -1.17 -4.85 118.94 113.71 1ddu s TRP 133 Ca 0.03 -1.43 -0.18 0.00 1.22 0.00 0.00 56.10 55.75 1ddu s TRP 133 Cb 0.05 -4.73 0.08 0.00 -1.50 0.00 0.00 33.47 27.37 1ddu s TRP 133 CO 0.20 -1.83 0.57 1.21 -4.62 0.00 0.00 176.95 172.48 1ddu s ASN 134 N 4.39 6.19 0.30 5.86 3.04 -1.26 -4.96 114.94 128.50 1ddu s ASN 134 Ca 0.51 -1.26 -0.00 0.00 0.04 0.00 0.00 52.86 52.15 1ddu s ASN 134 Cb 0.03 -2.26 0.45 0.00 -1.54 0.00 0.00 41.25 37.93 1ddu s ASN 134 CO 0.03 -0.89 1.87 0.58 -3.04 0.00 0.00 177.10 175.65 1ddu h VAL 135 N 5.86 1.21 -0.28 -5.21 2.07 -2.01 -2.02 116.25 115.86 1ddu h VAL 135 Ca -0.29 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1ddu h VAL 135 Cb 1.10 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1ddu h VAL 135 CO 0.99 0.27 0.18 1.23 0.02 0.00 0.00 177.57 180.26 1ddu h GLY 136 N 0.95 0.40 -1.68 2.17 0.00 -2.00 -3.17 103.07 99.75 1ddu h GLY 136 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1ddu h GLY 136 CO -0.01 0.15 0.00 1.18 0.00 0.00 0.00 176.54 177.86 1ddu n GLU 137 N -4.48 2.61 0.03 4.80 1.02 -0.94 -4.58 120.64 119.09 1ddu n GLU 137 Ca 0.01 -2.14 0.03 0.00 -0.02 0.00 0.00 57.16 55.04 1ddu n GLU 137 Cb 0.08 -1.36 0.42 0.00 -0.02 0.00 0.00 31.44 30.55 1ddu n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ddu h LEU 138 N 2.80 0.41 -1.77 -4.62 3.38 -1.35 -2.07 115.31 112.08 1ddu h LEU 138 Ca 0.00 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1ddu h LEU 138 Cb 0.79 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1ddu h LEU 138 CO 0.00 0.36 0.21 -0.78 0.09 0.00 0.00 178.44 178.32 1ddu h ASP 139 N 0.47 0.26 0.42 -0.43 3.58 -1.83 -2.38 116.42 116.51 1ddu h ASP 139 Ca 0.12 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1ddu h ASP 139 Cb 0.05 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1ddu h ASP 139 CO -0.02 0.18 -0.19 0.29 -2.88 0.00 0.00 179.24 176.62 1ddu n LYS 140 N -4.49 0.55 -3.55 0.28 4.01 -0.78 -4.90 118.16 109.28 1ddu n LYS 140 Ca 0.03 -0.23 -0.38 0.00 -0.51 0.00 0.00 58.31 57.22 1ddu n LYS 140 Cb 0.16 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.13 1ddu n LYS 140 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1ddu s MET 141 N -2.61 3.85 0.61 1.97 -1.94 -0.90 -3.90 119.30 116.39 1ddu s MET 141 Ca 0.24 0.34 0.38 0.00 -1.71 0.00 0.00 55.69 54.94 1ddu s MET 141 Cb 0.19 -3.20 2.00 0.00 2.01 0.00 0.00 34.83 35.83 1ddu s MET 141 CO 0.52 0.69 2.23 0.00 -0.01 0.00 0.00 175.02 178.46 1ddu h ALA 142 N 4.64 1.09 -1.66 3.03 0.00 -1.32 -3.41 119.26 121.63 1ddu h ALA 142 Ca -0.52 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.47 1ddu h ALA 142 Cb 1.22 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.77 1ddu h ALA 142 CO 0.61 0.02 0.14 -1.17 0.00 0.00 0.00 179.25 178.86 1ddu s LEU 143 N -6.48 -0.78 0.33 0.00 2.96 -1.26 -5.03 118.68 108.41 1ddu s LEU 143 Ca -0.03 1.17 -0.29 0.00 -0.22 0.00 0.00 54.13 54.76 1ddu s LEU 143 Cb 0.12 2.03 -0.11 0.00 0.50 0.00 0.00 46.19 48.73 1ddu s LEU 143 CO 0.48 -0.18 1.57 0.00 -1.32 0.00 0.00 176.35 176.90 1ddu s ALA 144 N 1.98 3.69 0.10 5.97 0.00 -1.26 -4.91 121.76 127.33 1ddu s ALA 144 Ca -0.07 1.59 -0.35 0.00 0.00 0.00 0.00 51.96 53.12 1ddu s ALA 144 Cb -0.06 -3.64 -0.15 0.00 0.00 0.00 0.00 23.12 19.26 1ddu s ALA 144 CO -0.18 -1.03 1.48 -2.30 0.00 0.00 0.00 175.76 173.73 1ddu n PRO 145 N 1.54 1.65 0.07 0.00 -0.02 -1.26 -4.93 135.00 132.04 1ddu n PRO 145 Ca 0.06 0.60 -0.21 0.00 -2.02 0.00 0.00 63.50 61.93 1ddu n PRO 145 Cb 0.38 -2.31 -0.15 0.00 -0.02 0.00 0.00 33.50 31.41 1ddu n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ddu s HIS 147 N -2.59 3.55 -0.11 0.00 0.00 -1.26 -1.58 115.29 113.30 1ddu s HIS 147 Ca -0.13 -1.91 0.17 0.00 -3.00 0.00 0.00 55.06 50.18 1ddu s HIS 147 Cb 0.06 -3.69 -0.18 0.00 -4.00 0.00 0.00 32.58 24.77 1ddu s HIS 147 CO 0.85 -0.98 0.67 0.00 -1.00 0.00 0.00 174.74 174.29 1ddu n ALA 148 N 4.33 1.86 -3.41 -1.38 0.00 -0.97 -4.81 120.51 116.12 1ddu n ALA 148 Ca 0.04 -0.69 -0.14 0.00 0.00 0.00 0.00 53.44 52.65 1ddu n ALA 148 Cb 0.43 -0.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 1ddu n ALA 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ddu s PHE 149 N -2.85 -0.53 0.04 0.00 2.19 -1.23 -1.08 117.98 114.52 1ddu s PHE 149 Ca -0.05 1.20 -0.21 0.00 0.33 0.00 0.00 56.93 58.20 1ddu s PHE 149 Cb 0.09 0.21 0.05 0.00 -1.31 0.00 0.00 43.02 42.06 1ddu s PHE 149 CO 0.82 -0.34 0.49 -0.59 1.83 0.00 0.00 175.22 177.43 1ddu s PHE 150 N -0.18 -0.38 -0.05 10.12 -0.71 -0.44 -1.19 117.98 125.15 1ddu s PHE 150 Ca -0.04 0.41 0.01 0.00 -1.04 0.00 0.00 56.93 56.28 1ddu s PHE 150 Cb -0.03 0.30 0.02 0.00 -1.21 0.00 0.00 43.02 42.10 1ddu s PHE 150 CO 0.03 -0.62 -0.04 -1.14 -1.34 0.00 0.00 175.22 172.11 1ddu s GLN 151 N -2.39 0.78 0.64 1.99 0.74 -0.46 -1.31 119.66 119.64 1ddu s GLN 151 Ca -0.06 -0.07 -0.03 0.00 0.05 0.00 0.00 55.36 55.25 1ddu s GLN 151 Cb -0.01 -0.83 0.05 0.00 1.10 0.00 0.00 33.01 33.32 1ddu s GLN 151 CO -0.01 -0.11 0.91 -0.06 -0.55 0.00 0.00 175.29 175.47 1ddu s PHE 152 N 1.03 2.79 -0.23 1.67 0.08 0.50 -1.47 117.98 122.35 1ddu s PHE 152 Ca -0.09 0.19 -0.27 0.00 0.12 0.00 0.00 56.93 56.88 1ddu s PHE 152 Cb -0.14 -3.00 0.11 0.00 -0.57 0.00 0.00 43.02 39.43 1ddu s PHE 152 CO -0.01 -1.20 0.97 -0.47 -0.10 0.00 0.00 175.22 174.41 1ddu s TYR 153 N -3.03 -0.49 -0.03 0.36 6.14 -0.99 -4.54 117.35 114.78 1ddu s TYR 153 Ca 0.59 1.09 0.02 0.00 0.64 0.00 0.00 57.07 59.42 1ddu s TYR 153 Cb -0.10 0.38 0.00 0.00 0.42 0.00 0.00 41.96 42.66 1ddu s TYR 153 CO 0.42 -0.30 -0.09 0.08 0.64 0.00 0.00 175.55 176.30 1ddu s VAL 154 N -0.21 0.77 0.00 3.14 1.01 -1.26 -1.24 120.40 122.61 1ddu s VAL 154 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1ddu s VAL 154 Cb -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1ddu s VAL 154 CO -0.02 0.24 0.00 0.00 0.00 0.00 0.00 175.10 175.32 1ddu n ALA 155 N 3.29 2.56 -3.89 5.51 0.00 -1.18 -4.80 120.51 122.00 1ddu n ALA 155 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.97 1ddu n ALA 155 Cb 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.87 1ddu n ALA 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ddu s ASP 156 N -2.18 4.47 -0.12 0.00 1.01 -1.26 -4.83 116.67 113.76 1ddu s ASP 156 Ca 0.00 -3.46 0.00 0.00 0.71 0.00 0.00 52.55 49.80 1ddu s ASP 156 Cb 0.00 -1.57 0.00 0.00 1.01 0.00 0.00 42.92 42.36 1ddu s ASP 156 CO 0.00 -0.15 0.00 0.61 0.21 0.00 0.00 175.17 175.84 1ddu n GLY 157 N 2.49 0.11 3.67 0.21 0.00 -1.26 -4.97 105.19 105.44 1ddu n GLY 157 Ca 0.14 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1ddu n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ddu s LYS 158 N -2.09 2.88 -0.29 1.61 1.02 -1.26 -1.02 119.74 120.58 1ddu s LYS 158 Ca 0.00 -0.50 -0.09 0.00 0.02 0.00 0.00 55.97 55.40 1ddu s LYS 158 Cb 0.00 -2.72 -0.02 0.00 -0.52 0.00 0.00 37.83 34.58 1ddu s LYS 158 CO 0.00 0.67 0.12 -1.17 -0.92 0.00 0.00 175.35 174.05 1ddu s LEU 159 N -1.10 3.85 0.28 3.17 2.96 0.27 -3.08 118.68 125.02 1ddu s LEU 159 Ca 0.15 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.72 1ddu s LEU 159 Cb -0.11 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 1ddu s LEU 159 CO 0.05 -0.13 0.36 -0.44 -1.32 0.00 0.00 176.35 174.86 1ddu s SER 160 N 1.61 5.99 -0.16 3.68 0.01 -0.37 -0.62 113.70 123.84 1ddu s SER 160 Ca 0.05 -0.11 -0.17 0.00 1.31 0.00 0.00 55.95 57.04 1ddu s SER 160 Cb -0.16 -1.52 0.04 0.00 0.21 0.00 0.00 66.02 64.59 1ddu s SER 160 CO 0.05 -0.19 0.46 0.00 0.41 0.00 0.00 173.24 173.97 1ddu s GLN 162 N 0.09 1.58 -0.12 0.00 0.74 -0.54 -0.46 119.66 120.95 1ddu s GLN 162 Ca -0.01 -0.30 -0.06 0.00 0.05 0.00 0.00 55.36 55.04 1ddu s GLN 162 Cb -0.03 -1.54 -0.04 0.00 1.10 0.00 0.00 33.01 32.50 1ddu s GLN 162 CO 0.01 -0.19 0.09 -1.17 -0.55 0.00 0.00 175.29 173.48 1ddu s LEU 163 N 1.44 4.07 -0.22 3.68 0.20 -0.61 -1.36 118.68 125.88 1ddu s LEU 163 Ca 0.00 0.32 -0.06 0.00 0.69 0.00 0.00 54.13 55.08 1ddu s LEU 163 Cb -0.13 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 1ddu s LEU 163 CO -0.05 0.37 0.02 -0.47 -0.29 0.00 0.00 176.35 175.92 1ddu s TYR 164 N -0.78 3.05 -0.30 5.38 6.14 -0.34 -0.98 117.35 129.52 1ddu s TYR 164 Ca 0.13 -0.52 -0.04 0.00 0.64 0.00 0.00 57.07 57.28 1ddu s TYR 164 Cb -0.12 -2.14 0.04 0.00 0.42 0.00 0.00 41.96 40.16 1ddu s TYR 164 CO 0.03 -0.33 0.03 -1.14 0.64 0.00 0.00 175.55 174.78 1ddu s GLN 165 N 1.28 2.67 0.40 4.97 0.74 -0.47 -2.30 119.66 126.95 1ddu s GLN 165 Ca 0.04 -1.12 0.27 0.00 0.05 0.00 0.00 55.36 54.60 1ddu s GLN 165 Cb -0.15 -3.25 0.81 0.00 1.10 0.00 0.00 33.01 31.52 1ddu s GLN 165 CO 0.01 -0.56 1.76 0.07 -0.55 0.00 0.00 175.29 176.03 1ddu h ARG 166 N 8.10 0.00 -2.99 1.67 -0.00 -1.61 0.11 114.38 119.67 1ddu h ARG 166 Ca -0.26 0.00 -0.17 0.00 -0.00 0.00 0.00 59.98 59.56 1ddu h ARG 166 Cb 1.09 0.00 -0.27 0.00 -0.00 0.00 0.00 29.97 30.79 1ddu h ARG 166 CO 0.57 0.00 -0.41 0.45 -0.00 0.00 0.00 179.97 180.58 1ddu s SER 167 N -5.44 -0.31 -0.18 0.08 0.15 -1.26 -2.16 113.70 104.58 1ddu s SER 167 Ca 0.06 0.59 -0.06 0.00 0.70 0.00 0.00 55.95 57.24 1ddu s SER 167 Cb 0.08 0.53 0.09 0.00 -1.71 0.00 0.00 66.02 65.01 1ddu s SER 167 CO 0.58 -0.14 0.36 0.00 1.20 0.00 0.00 173.24 175.24 1ddu s ASP 169 N 2.54 6.33 0.13 0.00 -1.08 -1.26 -0.55 116.67 122.78 1ddu s ASP 169 Ca 0.01 -0.42 -0.18 0.00 -0.52 0.00 0.00 52.55 51.44 1ddu s ASP 169 Cb -0.13 -2.40 -0.03 0.00 -1.46 0.00 0.00 42.92 38.90 1ddu s ASP 169 CO -0.12 -1.11 1.79 0.58 0.52 0.00 0.00 175.17 176.83 1ddu h VAL 170 N 5.98 1.06 0.02 1.11 2.07 -1.36 0.28 116.25 125.42 1ddu h VAL 170 Ca -0.26 -0.13 -0.17 0.00 0.82 0.00 0.00 66.70 66.96 1ddu h VAL 170 Cb 1.08 0.66 0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1ddu h VAL 170 CO 1.04 0.07 -0.69 0.15 0.02 0.00 0.00 177.57 178.16 1ddu h PHE 171 N 0.37 0.67 0.00 1.57 3.57 -1.92 -3.34 116.94 117.85 1ddu h PHE 171 Ca 0.10 -0.37 -0.05 0.00 3.53 0.00 0.00 57.97 61.18 1ddu h PHE 171 Cb -0.03 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1ddu h PHE 171 CO -0.06 1.20 -0.81 -0.11 -2.23 0.00 0.00 178.31 176.30 1ddu n LEU 172 N -4.16 1.85 0.08 0.59 7.94 -1.23 -4.70 117.00 117.38 1ddu n LEU 172 Ca -0.11 0.53 -0.09 0.00 -1.11 0.00 0.00 56.01 55.24 1ddu n LEU 172 Cb 0.72 -0.86 -0.01 0.00 0.53 0.00 0.00 43.42 43.80 1ddu n LEU 172 CO 0.48 -0.28 0.24 1.23 -1.11 0.00 0.00 177.39 177.95 1ddu h GLY 173 N -1.00 0.21 1.04 -3.96 0.00 -0.81 -3.39 103.07 95.17 1ddu h GLY 173 Ca -0.08 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 1ddu h GLY 173 CO -0.05 0.34 0.21 -2.00 0.00 0.00 0.00 176.54 175.04 1ddu h LEU 174 N 0.10 1.02 -2.24 3.11 5.85 -0.96 -2.49 115.31 119.70 1ddu h LEU 174 Ca -0.04 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1ddu h LEU 174 Cb 1.52 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1ddu h LEU 174 CO 0.13 0.97 -0.03 -0.65 -0.34 0.00 0.00 178.44 178.52 1ddu h PRO 175 N 1.03 0.00 -0.01 5.25 0.11 -1.80 -2.33 132.00 134.26 1ddu h PRO 175 Ca 0.22 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.28 1ddu h PRO 175 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1ddu h PRO 175 CO -0.01 0.03 -0.22 0.35 -0.21 0.00 0.00 178.00 177.94 1ddu h PHE 176 N 0.00 0.24 -0.02 0.65 3.04 -1.66 -2.99 116.94 116.19 1ddu h PHE 176 Ca -0.00 -0.13 -0.14 0.00 3.98 0.00 0.00 57.97 61.68 1ddu h PHE 176 Cb 0.08 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.54 1ddu h PHE 176 CO 0.00 0.91 -0.63 -0.91 -2.02 0.00 0.00 178.31 175.65 1ddu h ASN 177 N -0.49 0.11 0.10 0.41 -0.26 -1.36 -1.33 115.58 112.75 1ddu h ASN 177 Ca -0.03 -0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.64 1ddu h ASN 177 Cb 0.96 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.19 1ddu h ASN 177 CO 0.04 0.71 -0.05 0.40 -1.06 0.00 0.00 177.43 177.48 1ddu h ILE 178 N 0.07 1.13 -1.00 2.81 2.04 -1.54 -2.36 117.51 118.66 1ddu h ILE 178 Ca -0.01 -1.00 0.08 0.00 1.00 0.00 0.00 64.86 64.93 1ddu h ILE 178 Cb 1.13 1.75 -0.07 0.00 -0.74 0.00 0.00 36.82 38.90 1ddu h ILE 178 CO 0.09 0.24 0.64 0.00 0.00 0.00 0.00 178.15 179.12 1ddu h ALA 179 N 0.22 1.41 -0.01 1.87 0.00 -1.53 -2.15 119.26 119.07 1ddu h ALA 179 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ddu h ALA 179 Cb 0.49 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ddu h ALA 179 CO 0.02 0.40 0.01 1.03 0.00 0.00 0.00 179.25 180.70 1ddu h SER 180 N 1.13 0.02 0.34 0.00 0.87 -1.20 -1.53 113.55 113.18 1ddu h SER 180 Ca 0.44 -0.09 -0.22 0.00 -1.23 0.00 0.00 61.79 60.70 1ddu h SER 180 Cb 0.23 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1ddu h SER 180 CO -0.19 0.10 -0.91 1.88 -0.53 0.00 0.00 176.83 177.18 1ddu h TYR 181 N -0.07 0.58 -0.11 2.24 -1.99 -1.34 -2.38 116.97 113.91 1ddu h TYR 181 Ca 0.00 -0.31 -0.04 0.00 2.00 0.00 0.00 58.73 60.39 1ddu h TYR 181 Cb 0.08 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 1ddu h TYR 181 CO -0.05 1.12 -0.13 0.00 -0.00 0.00 0.00 178.16 179.10 1ddu h ALA 182 N 0.78 1.59 -0.24 3.88 0.00 -1.39 -1.79 119.26 122.09 1ddu h ALA 182 Ca -0.07 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1ddu h ALA 182 Cb 1.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1ddu h ALA 182 CO 0.16 0.30 -0.36 1.25 0.00 0.00 0.00 179.25 180.60 1ddu h LEU 183 N 0.16 0.54 -0.23 0.00 6.46 -1.04 -2.75 115.31 118.45 1ddu h LEU 183 Ca 0.03 -0.22 -0.22 0.00 -0.12 0.00 0.00 57.88 57.36 1ddu h LEU 183 Cb 0.33 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1ddu h LEU 183 CO 0.02 0.85 -0.85 0.25 -0.62 0.00 0.00 178.44 178.09 1ddu h LEU 184 N 0.44 0.65 -1.54 2.25 5.85 -0.86 -2.76 115.31 119.32 1ddu h LEU 184 Ca 0.05 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1ddu h LEU 184 Cb 0.83 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1ddu h LEU 184 CO 0.07 1.25 0.00 0.58 -0.34 0.00 0.00 178.44 180.00 1ddu h VAL 185 N 0.33 1.13 -0.27 1.05 2.07 -1.33 -0.74 116.25 118.49 1ddu h VAL 185 Ca -0.06 -0.50 -0.15 0.00 0.82 0.00 0.00 66.70 66.81 1ddu h VAL 185 Cb 1.47 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1ddu h VAL 185 CO 0.16 0.17 -0.45 0.45 0.02 0.00 0.00 177.57 177.91 1ddu h HIS 186 N 0.29 0.84 0.02 1.57 3.86 -1.39 -1.67 115.15 118.67 1ddu h HIS 186 Ca 0.07 -0.27 -0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1ddu h HIS 186 Cb 0.20 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1ddu h HIS 186 CO 0.00 1.02 -0.01 0.52 0.86 0.00 0.00 177.93 180.32 1ddu h MET 187 N 0.56 -0.02 -0.52 2.45 2.07 -1.13 -1.75 114.93 116.59 1ddu h MET 187 Ca 0.04 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 1ddu h MET 187 Cb 1.00 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.71 1ddu h MET 187 CO 0.09 0.22 0.34 0.52 1.07 0.00 0.00 176.91 179.15 1ddu h MET 188 N -0.27 0.68 -0.50 1.72 2.86 -1.23 -1.65 114.93 116.55 1ddu h MET 188 Ca -0.00 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1ddu h MET 188 Cb 0.26 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1ddu h MET 188 CO 0.00 0.46 0.05 0.00 1.06 0.00 0.00 176.91 178.48 1ddu h ALA 189 N 1.18 1.16 -0.40 6.32 0.00 -1.30 -1.10 119.26 125.11 1ddu h ALA 189 Ca 0.19 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1ddu h ALA 189 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1ddu h ALA 189 CO -0.04 0.56 -0.35 0.37 0.00 0.00 0.00 179.25 179.78 1ddu h GLN 190 N 0.76 0.95 -0.14 0.00 4.15 -1.10 -0.64 115.11 119.08 1ddu h GLN 190 Ca 0.16 -0.48 -0.13 0.00 0.77 0.00 0.00 58.65 58.96 1ddu h GLN 190 Cb 0.38 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1ddu h GLN 190 CO 0.01 1.15 -0.49 1.96 -1.93 0.00 0.00 178.83 179.53 1ddu h GLN 191 N 0.78 0.38 -0.67 1.69 1.08 -1.21 -3.28 115.11 113.87 1ddu h GLN 191 Ca 0.07 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1ddu h GLN 191 Cb 0.95 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1ddu h GLN 191 CO 0.09 0.79 0.00 0.00 -0.95 0.00 0.00 178.83 178.76 1ddu n ASP 193 N 1.26 -4.06 -4.33 0.00 8.00 -0.44 -4.93 116.55 112.04 1ddu n ASP 193 Ca 0.24 -1.19 -0.17 0.00 0.71 0.00 0.00 54.79 54.37 1ddu n ASP 193 Cb 0.75 -2.30 -0.10 0.00 -0.02 0.00 0.00 41.12 39.45 1ddu n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ddu s LEU 194 N -7.11 2.40 0.55 0.64 1.43 -0.38 -5.06 118.68 111.14 1ddu s LEU 194 Ca 0.44 -1.13 -0.02 0.00 -1.03 0.00 0.00 54.13 52.40 1ddu s LEU 194 Cb -0.21 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.59 1ddu s LEU 194 CO 0.93 -0.37 0.80 -0.70 0.23 0.00 0.00 176.35 177.24 1ddu s GLU 195 N -3.77 2.76 -0.06 1.70 2.12 -0.19 -4.51 118.70 116.74 1ddu s GLU 195 Ca 0.25 -0.44 -0.11 0.00 0.36 0.00 0.00 54.97 55.02 1ddu s GLU 195 Cb 0.03 -2.42 -0.05 0.00 0.26 0.00 0.00 34.13 31.95 1ddu s GLU 195 CO 0.07 -0.63 0.28 0.14 -0.54 0.00 0.00 175.26 174.58 1ddu s VAL 196 N -2.81 5.27 0.00 3.70 -7.23 -1.26 -0.57 120.40 117.50 1ddu s VAL 196 Ca 0.54 0.53 0.00 0.00 -1.81 0.00 0.00 61.98 61.24 1ddu s VAL 196 Cb -0.10 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.28 1ddu s VAL 196 CO 0.41 0.59 0.00 0.61 -0.31 0.00 0.00 175.10 176.39 1ddu n GLY 197 N 1.97 4.69 3.78 2.32 0.00 0.20 -4.52 105.19 113.64 1ddu n GLY 197 Ca -0.17 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 1ddu n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ddu s ASP 198 N 0.52 5.53 -0.34 1.61 1.01 -1.26 -3.03 116.67 120.71 1ddu s ASP 198 Ca 0.00 1.95 0.01 0.00 0.71 0.00 0.00 52.55 55.23 1ddu s ASP 198 Cb 0.00 -2.55 0.09 0.00 1.01 0.00 0.00 42.92 41.47 1ddu s ASP 198 CO 0.00 -1.34 0.06 0.12 0.21 0.00 0.00 175.17 174.22 1ddu s PHE 199 N -2.27 3.60 -0.14 4.23 5.36 0.80 -2.36 117.98 127.20 1ddu s PHE 199 Ca 0.67 -2.64 -0.22 0.00 -0.96 0.00 0.00 56.93 53.77 1ddu s PHE 199 Cb -0.19 -2.78 -0.03 0.00 -0.34 0.00 0.00 43.02 39.68 1ddu s PHE 199 CO 0.36 -0.93 0.68 0.08 -1.46 0.00 0.00 175.22 173.95 1ddu s VAL 200 N 1.03 5.01 -0.20 3.12 1.01 0.40 -1.59 120.40 129.18 1ddu s VAL 200 Ca 0.06 1.35 -0.03 0.00 0.00 0.00 0.00 61.98 63.36 1ddu s VAL 200 Cb -0.20 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1ddu s VAL 200 CO -0.06 0.15 -0.08 0.86 0.00 0.00 0.00 175.10 175.98 1ddu s TRP 201 N 1.50 2.92 0.00 5.22 -0.00 0.41 -1.58 118.94 127.41 1ddu s TRP 201 Ca 0.33 -0.99 0.08 0.00 -0.00 0.00 0.00 56.10 55.52 1ddu s TRP 201 Cb -0.17 -2.05 -0.02 0.00 -0.00 0.00 0.00 33.47 31.24 1ddu s TRP 201 CO 0.13 -0.54 -0.26 0.99 -0.00 0.00 0.00 176.95 177.28 1ddu s THR 202 N 1.30 2.06 0.10 5.86 2.01 -0.15 -0.29 115.64 126.53 1ddu s THR 202 Ca 0.04 -1.20 0.06 0.00 0.31 0.00 0.00 61.69 60.90 1ddu s THR 202 Cb -0.14 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 1ddu s THR 202 CO -0.04 0.50 -0.16 -0.83 -0.69 0.00 0.00 174.62 173.41 1ddu s GLY 203 N -0.83 1.04 0.00 4.40 0.00 0.68 -1.36 107.32 111.25 1ddu s GLY 203 Ca 0.10 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.65 1ddu s GLY 203 CO 0.00 -1.21 0.00 0.61 0.00 0.00 0.00 173.10 172.50 1ddu n GLY 204 N 0.93 0.96 3.55 0.20 0.00 0.03 -1.92 105.19 108.94 1ddu n GLY 204 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1ddu n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ddu s ASP 205 N -1.00 6.11 -0.22 1.61 -1.08 -0.92 -1.04 116.67 120.13 1ddu s ASP 205 Ca 0.00 -0.47 -0.11 0.00 -0.52 0.00 0.00 52.55 51.45 1ddu s ASP 205 Cb 0.00 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.85 1ddu s ASP 205 CO 0.00 -1.86 0.18 -0.89 0.52 0.00 0.00 175.17 173.12 1ddu s THR 206 N 5.96 5.36 0.15 1.71 2.01 -0.66 -1.93 115.64 128.23 1ddu s THR 206 Ca 0.39 0.25 -0.12 0.00 0.31 0.00 0.00 61.69 62.51 1ddu s THR 206 Cb -0.08 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 68.92 1ddu s THR 206 CO 0.13 0.36 0.34 -1.38 -0.69 0.00 0.00 174.62 173.38 1ddu s HIS 207 N 0.88 0.12 -0.14 4.92 -3.43 0.29 -0.98 115.29 116.95 1ddu s HIS 207 Ca 0.09 -0.48 -0.00 0.00 -0.80 0.00 0.00 55.06 53.86 1ddu s HIS 207 Cb -0.13 0.10 0.03 0.00 -1.43 0.00 0.00 32.58 31.15 1ddu s HIS 207 CO 0.03 -0.72 -0.07 -1.17 -2.00 0.00 0.00 174.74 170.81 1ddu s LEU 208 N -2.89 1.41 0.46 5.38 2.96 -0.33 -0.79 118.68 124.87 1ddu s LEU 208 Ca 0.10 -0.47 -0.24 0.00 -0.22 0.00 0.00 54.13 53.30 1ddu s LEU 208 Cb 0.02 -0.90 -0.07 0.00 0.50 0.00 0.00 46.19 45.74 1ddu s LEU 208 CO -0.05 -0.14 1.27 -0.31 -1.32 0.00 0.00 176.35 175.79 1ddu s TYR 209 N 1.66 2.71 0.40 5.38 2.02 -1.26 -0.46 117.35 127.79 1ddu s TYR 209 Ca 0.03 1.45 0.11 0.00 -0.37 0.00 0.00 57.07 58.29 1ddu s TYR 209 Cb -0.14 -3.60 0.92 0.00 -0.40 0.00 0.00 41.96 38.74 1ddu s TYR 209 CO -0.08 -2.08 1.94 0.77 -1.57 0.00 0.00 175.55 174.53 1ddu h SER 210 N 2.15 0.50 -0.01 2.29 0.02 -1.57 -1.36 113.55 115.57 1ddu h SER 210 Ca -0.50 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1ddu h SER 210 Cb 1.26 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 1ddu h SER 210 CO 0.60 0.29 0.00 -0.46 -1.14 0.00 0.00 176.83 176.13 1ddu n ASN 211 N -4.49 1.38 0.00 3.07 6.94 -1.26 -2.91 115.26 118.00 1ddu n ASN 211 Ca 0.12 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 1ddu n ASN 211 Cb 0.39 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 1ddu n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1ddu n HIS 212 N 0.08 0.00 -0.26 -2.53 8.25 -0.51 -4.79 115.22 115.46 1ddu n HIS 212 Ca 0.00 -0.35 -0.06 0.00 -0.26 0.00 0.00 57.72 57.05 1ddu n HIS 212 Cb 0.31 -0.04 0.05 0.00 1.12 0.00 0.00 29.99 31.43 1ddu n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1ddu h MET 213 N 0.00 1.02 0.21 -0.41 2.86 -1.67 -2.27 114.93 114.68 1ddu h MET 213 Ca 0.00 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1ddu h MET 213 Cb 0.41 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1ddu h MET 213 CO 0.00 0.80 -0.10 -0.44 1.06 0.00 0.00 176.91 178.23 1ddu h ASP 214 N 0.99 -0.24 -0.67 1.22 3.32 -1.87 -1.94 116.42 117.23 1ddu h ASP 214 Ca 0.24 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1ddu h ASP 214 Cb 0.12 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1ddu h ASP 214 CO -0.03 -0.14 0.33 1.56 -1.72 0.00 0.00 179.24 179.24 1ddu h GLN 215 N -0.33 0.98 0.26 3.56 7.50 -1.91 -1.10 115.11 124.07 1ddu h GLN 215 Ca -0.03 -0.13 -0.01 0.00 0.50 0.00 0.00 58.65 58.98 1ddu h GLN 215 Cb 0.25 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 27.60 1ddu h GLN 215 CO 0.05 0.76 -0.13 1.15 -1.50 0.00 0.00 178.83 179.16 1ddu h THR 216 N 0.97 0.76 -0.88 -0.54 2.02 -1.28 -0.42 112.91 113.53 1ddu h THR 216 Ca 0.24 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.40 1ddu h THR 216 Cb 0.10 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 1ddu h THR 216 CO -0.03 0.02 0.58 0.45 0.37 0.00 0.00 175.52 176.90 1ddu h HIS 217 N -0.39 1.03 0.35 3.16 3.86 -1.00 0.58 115.15 122.75 1ddu h HIS 217 Ca -0.04 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1ddu h HIS 217 Cb 0.30 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.43 1ddu h HIS 217 CO -0.05 0.57 -0.17 1.25 0.86 0.00 0.00 177.93 180.39 1ddu h LEU 218 N 1.04 -0.40 -1.10 2.43 5.85 -1.11 -2.78 115.31 119.25 1ddu h LEU 218 Ca 0.37 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.98 1ddu h LEU 218 Cb 0.13 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1ddu h LEU 218 CO -0.13 -0.25 -0.44 -0.61 -0.34 0.00 0.00 178.44 176.67 1ddu h GLN 219 N -0.51 0.02 0.00 1.25 4.15 -0.16 -2.66 115.11 117.19 1ddu h GLN 219 Ca -0.05 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1ddu h GLN 219 Cb 0.38 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1ddu h GLN 219 CO 0.08 0.46 0.00 -0.11 -1.93 0.00 0.00 178.83 177.32 1ddu n LEU 220 N -4.01 0.00 -1.25 -2.39 7.94 0.19 -2.37 117.00 115.11 1ddu n LEU 220 Ca -0.02 0.38 0.08 0.00 -1.11 0.00 0.00 56.01 55.34 1ddu n LEU 220 Cb 0.47 -0.38 0.30 0.00 0.53 0.00 0.00 43.42 44.34 1ddu n LEU 220 CO 0.40 -0.08 0.76 -1.54 -1.11 0.00 0.00 177.39 175.82 1ddu n SER 221 N -1.38 4.32 -4.42 1.96 3.41 -1.00 -4.95 113.62 111.56 1ddu n SER 221 Ca 0.09 -2.61 -0.33 0.00 -0.26 0.00 0.00 58.87 55.76 1ddu n SER 221 Cb 0.23 -0.52 -0.14 0.00 -0.26 0.00 0.00 64.21 63.51 1ddu n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ddu s ARG 222 N -2.13 2.79 0.02 4.33 0.52 -1.00 -5.09 118.95 118.39 1ddu s ARG 222 Ca 0.44 -0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 54.64 1ddu s ARG 222 Cb 0.31 -2.43 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 1ddu s ARG 222 CO 0.17 0.46 0.96 -1.21 0.02 0.00 0.00 175.30 175.70 1ddu s GLU 223 N -0.31 4.58 0.11 3.54 0.41 -1.26 -4.94 118.70 120.82 1ddu s GLU 223 Ca 0.02 1.39 -0.31 0.00 -0.41 0.00 0.00 54.97 55.66 1ddu s GLU 223 Cb -0.13 -3.44 -0.08 0.00 -1.78 0.00 0.00 34.13 28.69 1ddu s GLU 223 CO 0.03 0.01 1.53 -2.14 -0.49 0.00 0.00 175.26 174.19 1ddu s PRO 224 N 0.81 4.24 0.46 0.39 0.02 -1.26 -4.80 135.00 134.86 1ddu s PRO 224 Ca 0.50 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.78 1ddu s PRO 224 Cb -0.21 -3.35 0.01 0.00 0.02 0.00 0.00 34.50 30.96 1ddu s PRO 224 CO 0.28 -0.60 0.66 1.03 -0.33 0.00 0.00 177.00 178.04 1ddu s ARG 225 N 1.71 2.86 0.05 5.54 0.52 -1.26 -5.04 118.95 123.33 1ddu s ARG 225 Ca 0.69 -0.76 -0.38 0.00 -0.52 0.00 0.00 55.73 54.76 1ddu s ARG 225 Cb -0.39 -2.60 -0.19 0.00 0.52 0.00 0.00 34.95 32.29 1ddu s ARG 225 CO 0.31 -0.37 1.14 -2.30 0.02 0.00 0.00 175.30 174.10 1ddu n PRO 226 N -2.07 0.45 -2.15 3.54 -0.02 -1.26 -4.87 135.00 128.61 1ddu n PRO 226 Ca 0.04 0.16 -0.38 0.00 -2.02 0.00 0.00 63.50 61.30 1ddu n PRO 226 Cb 0.59 -1.69 -0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1ddu n PRO 226 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ddu s LEU 227 N 0.32 4.09 0.00 2.45 2.01 -1.26 -4.63 118.68 121.66 1ddu s LEU 227 Ca 0.87 2.47 -0.19 0.00 0.01 0.00 0.00 54.13 57.29 1ddu s LEU 227 Cb -1.13 -4.10 0.28 0.00 0.01 0.00 0.00 46.19 41.26 1ddu s LEU 227 CO 0.53 -0.92 0.83 -0.81 1.01 0.00 0.00 176.35 176.99 1ddu n PRO 228 N -0.24 -3.55 -4.45 1.29 -0.04 -1.25 -4.68 135.00 122.08 1ddu n PRO 228 Ca 0.06 -1.35 -0.20 0.00 -0.04 0.00 0.00 63.50 61.97 1ddu n PRO 228 Cb 0.46 -1.47 -0.15 0.00 -0.04 0.00 0.00 33.50 32.31 1ddu n PRO 228 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ddu s LYS 229 N -4.92 0.89 -0.15 0.54 -0.14 -0.17 -1.74 119.74 114.06 1ddu s LYS 229 Ca 0.58 -0.46 -0.04 0.00 -1.36 0.00 0.00 55.97 54.69 1ddu s LYS 229 Cb -0.08 -0.86 -0.03 0.00 -1.68 0.00 0.00 37.83 35.18 1ddu s LYS 229 CO 0.46 0.23 -0.02 -1.17 -0.76 0.00 0.00 175.35 174.09 1ddu s LEU 230 N -0.42 3.35 -0.12 3.17 1.98 -1.26 -2.24 118.68 123.14 1ddu s LEU 230 Ca 0.03 -0.07 0.02 0.00 -2.89 0.00 0.00 54.13 51.23 1ddu s LEU 230 Cb -0.05 -1.80 -0.01 0.00 0.66 0.00 0.00 46.19 44.99 1ddu s LEU 230 CO -0.00 0.20 -0.18 -0.63 -1.89 0.00 0.00 176.35 173.85 1ddu s ILE 231 N 0.15 2.55 -0.51 6.68 1.09 -0.69 -5.00 121.20 125.47 1ddu s ILE 231 Ca -0.01 -0.84 -0.06 0.00 -1.10 0.00 0.00 60.65 58.64 1ddu s ILE 231 Cb -0.13 -2.03 0.13 0.00 -1.06 0.00 0.00 42.46 39.37 1ddu s ILE 231 CO 0.02 0.54 0.36 -0.63 -0.10 0.00 0.00 174.94 175.13 1ddu s ILE 232 N 0.43 3.95 0.63 2.92 1.01 -1.25 -1.17 121.20 127.72 1ddu s ILE 232 Ca -0.13 -2.17 0.37 0.00 0.00 0.00 0.00 60.65 58.72 1ddu s ILE 232 Cb -0.17 -3.61 0.40 0.00 0.01 0.00 0.00 42.46 39.09 1ddu s ILE 232 CO 0.06 -0.79 2.28 0.11 0.00 0.00 0.00 174.94 176.59 1ddu h LYS 233 N 7.98 0.00 -3.50 2.79 1.57 -1.27 -3.43 116.57 120.70 1ddu h LYS 233 Ca -0.12 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 1ddu h LYS 233 Cb 1.04 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.17 1ddu h LYS 233 CO 0.78 0.00 -0.37 -0.98 -0.57 0.00 0.00 179.45 178.30 1ddu s ARG 234 N -4.37 0.69 -0.50 3.15 1.70 -1.26 -5.08 118.95 113.28 1ddu s ARG 234 Ca -0.05 -0.58 -0.14 0.00 -0.47 0.00 0.00 55.73 54.49 1ddu s ARG 234 Cb 0.14 0.29 0.11 0.00 -0.57 0.00 0.00 34.95 34.91 1ddu s ARG 234 CO 0.46 -0.20 0.42 0.21 -1.08 0.00 0.00 175.30 175.11 1ddu s LYS 235 N -2.44 2.87 0.83 3.89 2.20 -1.26 -5.02 119.74 120.81 1ddu s LYS 235 Ca -0.06 -1.59 -0.11 0.00 -0.36 0.00 0.00 55.97 53.85 1ddu s LYS 235 Cb -0.02 -4.14 0.10 0.00 -1.51 0.00 0.00 37.83 32.26 1ddu s LYS 235 CO -0.03 -1.18 1.14 -2.14 -0.36 0.00 0.00 175.35 172.78 1ddu s PRO 236 N 1.56 1.63 0.57 4.03 0.02 -1.26 -4.92 135.00 136.63 1ddu s PRO 236 Ca 0.04 1.48 0.35 0.00 0.02 0.00 0.00 61.00 62.88 1ddu s PRO 236 Cb -0.27 -1.80 1.64 0.00 0.02 0.00 0.00 34.50 34.09 1ddu s PRO 236 CO 0.03 -2.16 2.09 1.49 -0.33 0.00 0.00 177.00 178.12 1ddu h GLU 237 N -1.31 0.00 -3.32 5.54 4.81 -1.98 -3.45 114.58 114.88 1ddu h GLU 237 Ca -0.44 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.71 1ddu h GLU 237 Cb 1.26 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 1ddu h GLU 237 CO 0.46 0.04 0.13 -1.54 -0.73 0.00 0.00 179.01 177.37 1ddu s SER 238 N -5.66 0.20 0.17 1.04 1.04 -1.26 -5.03 113.70 104.20 1ddu s SER 238 Ca -0.01 -1.17 0.24 0.00 0.48 0.00 0.00 55.95 55.49 1ddu s SER 238 Cb 0.11 0.78 0.91 0.00 0.10 0.00 0.00 66.02 67.92 1ddu s SER 238 CO 0.52 -1.53 1.74 0.00 0.98 0.00 0.00 173.24 174.95 1ddu n ILE 239 N -0.52 0.63 0.13 -1.02 3.06 -1.26 -3.56 119.36 116.81 1ddu n ILE 239 Ca -0.05 -0.01 0.07 0.00 -2.50 0.00 0.00 62.75 60.26 1ddu n ILE 239 Cb 0.60 -0.82 0.03 0.00 0.54 0.00 0.00 39.64 40.00 1ddu n ILE 239 CO 0.00 0.00 0.00 -0.26 -2.50 0.00 0.00 176.55 173.79 1ddu h PHE 240 N 0.00 0.00 -1.92 9.51 0.04 -1.96 -3.36 116.94 119.25 1ddu h PHE 240 Ca 0.00 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.11 1ddu h PHE 240 Cb 0.52 0.00 -0.37 0.00 2.20 0.00 0.00 35.95 38.30 1ddu h PHE 240 CO 0.00 0.26 -0.08 -0.40 -0.60 0.00 0.00 178.31 177.48 1ddu n ASP 241 N -2.98 5.62 -4.96 2.17 5.68 -1.23 -4.92 116.55 115.93 1ddu n ASP 241 Ca -0.01 -3.73 -0.22 0.00 -0.50 0.00 0.00 54.79 50.33 1ddu n ASP 241 Cb 0.66 -0.71 0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1ddu n ASP 241 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1ddu s TYR 242 N -3.75 3.02 0.17 2.11 1.51 -1.26 -4.71 117.35 114.44 1ddu s TYR 242 Ca 0.48 0.13 -0.04 0.00 -1.01 0.00 0.00 57.07 56.63 1ddu s TYR 242 Cb 0.35 -2.60 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 1ddu s TYR 242 CO -0.22 -0.69 0.16 0.50 -1.11 0.00 0.00 175.55 174.20 1ddu s ARG 243 N -4.71 1.12 0.45 -0.62 3.00 -1.26 -5.04 118.95 111.89 1ddu s ARG 243 Ca 0.54 -1.44 0.14 0.00 -1.00 0.00 0.00 55.73 53.97 1ddu s ARG 243 Cb -0.10 0.30 1.02 0.00 0.00 0.00 0.00 34.95 36.16 1ddu s ARG 243 CO 0.39 -0.37 2.01 0.35 0.00 0.00 0.00 175.30 177.68 1ddu h PHE 244 N 2.66 0.06 0.00 5.12 3.04 -1.98 -2.15 116.94 123.70 1ddu h PHE 244 Ca -0.34 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.60 1ddu h PHE 244 Cb 1.23 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.72 1ddu h PHE 244 CO 0.40 0.18 -0.02 0.93 -2.02 0.00 0.00 178.31 177.77 1ddu h GLU 245 N 0.06 0.00 0.00 1.11 3.07 -2.03 -3.04 114.58 113.74 1ddu h GLU 245 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1ddu h GLU 245 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1ddu h GLU 245 CO 0.02 0.02 0.00 -0.25 -1.40 0.00 0.00 179.01 177.40 1ddu n ASP 246 N -4.12 0.00 -4.21 1.42 8.00 -0.81 -4.81 116.55 112.02 1ddu n ASP 246 Ca -0.03 -0.38 -0.28 0.00 0.71 0.00 0.00 54.79 54.81 1ddu n ASP 246 Cb 0.11 -0.13 -0.16 0.00 -0.02 0.00 0.00 41.12 40.92 1ddu n ASP 246 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ddu s PHE 247 N -2.26 1.91 -0.00 1.24 0.08 -1.15 -0.78 117.98 117.02 1ddu s PHE 247 Ca 0.27 -0.44 -0.12 0.00 0.12 0.00 0.00 56.93 56.76 1ddu s PHE 247 Cb 0.15 -1.25 0.02 0.00 -0.57 0.00 0.00 43.02 41.37 1ddu s PHE 247 CO 0.29 -0.09 0.26 -2.00 -0.10 0.00 0.00 175.22 173.57 1ddu s GLU 248 N -0.31 0.62 -0.28 0.44 2.56 -0.31 -5.00 118.70 116.42 1ddu s GLU 248 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 54.97 54.71 1ddu s GLU 248 Cb -0.10 0.27 0.09 0.00 2.00 0.00 0.00 34.13 36.39 1ddu s GLU 248 CO 0.01 -0.17 0.07 0.96 -0.56 0.00 0.00 175.26 175.57 1ddu s ILE 249 N -1.43 0.87 0.33 -3.70 -4.36 -1.26 -1.71 121.20 109.94 1ddu s ILE 249 Ca -0.13 -1.19 -0.11 0.00 -0.26 0.00 0.00 60.65 58.96 1ddu s ILE 249 Cb -0.06 -1.54 -0.07 0.00 1.25 0.00 0.00 42.46 42.04 1ddu s ILE 249 CO 0.03 -0.51 0.68 -1.83 0.24 0.00 0.00 174.94 173.55 1ddu s GLU 250 N 1.65 3.82 -1.25 0.37 -1.05 -0.95 -4.24 118.70 117.05 1ddu s GLU 250 Ca 0.06 0.41 0.00 0.00 -0.15 0.00 0.00 54.97 55.29 1ddu s GLU 250 Cb -0.17 -2.49 0.00 0.00 -0.44 0.00 0.00 34.13 31.02 1ddu s GLU 250 CO -0.19 0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.56 1ddu n GLY 251 N -0.75 0.64 3.40 -3.83 0.00 -1.26 -1.00 105.19 102.40 1ddu n GLY 251 Ca 0.02 -0.38 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 1ddu n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ddu s TYR 252 N -2.56 3.24 -0.73 1.61 5.04 -1.26 -4.22 117.35 118.48 1ddu s TYR 252 Ca 0.00 -1.42 -0.05 0.00 -2.44 0.00 0.00 57.07 53.17 1ddu s TYR 252 Cb 0.00 -4.10 0.19 0.00 0.35 0.00 0.00 41.96 38.40 1ddu s TYR 252 CO 0.00 -1.32 0.58 0.34 -1.34 0.00 0.00 175.55 173.81 1ddu s ASP 253 N 3.24 5.70 0.74 4.32 2.15 -1.26 -5.07 116.67 126.49 1ddu s ASP 253 Ca 0.23 -3.02 -0.07 0.00 0.43 0.00 0.00 52.55 50.11 1ddu s ASP 253 Cb -0.11 -1.94 0.09 0.00 -0.30 0.00 0.00 42.92 40.66 1ddu s ASP 253 CO -0.05 -0.36 1.06 -2.16 -0.17 0.00 0.00 175.17 173.49 1ddu s PRO 254 N -0.32 1.93 0.54 4.34 0.04 -1.26 -4.89 135.00 135.37 1ddu s PRO 254 Ca 0.20 -0.34 -0.07 0.00 0.04 0.00 0.00 61.00 60.82 1ddu s PRO 254 Cb -0.16 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1ddu s PRO 254 CO -0.06 -1.43 0.88 -1.01 0.04 0.00 0.00 177.00 175.42 1ddu s HIS 255 N -3.34 3.59 0.45 0.56 3.76 0.20 -4.91 115.29 115.60 1ddu s HIS 255 Ca 0.63 1.00 -0.21 0.00 -0.15 0.00 0.00 55.06 56.33 1ddu s HIS 255 Cb -0.09 -2.47 -0.13 0.00 1.11 0.00 0.00 32.58 31.01 1ddu s HIS 255 CO 0.46 -0.44 0.40 -0.35 -0.85 0.00 0.00 174.74 173.96 1ddu n PRO 256 N -2.45 0.41 -0.32 8.40 -0.04 -1.26 -1.78 135.00 137.96 1ddu n PRO 256 Ca 0.03 0.15 0.22 0.00 -0.04 0.00 0.00 63.50 63.86 1ddu n PRO 256 Cb 0.55 -1.41 0.43 0.00 -0.04 0.00 0.00 33.50 33.04 1ddu n PRO 256 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ddu h GLY 257 N 0.55 1.80 -4.66 0.55 0.00 -1.91 -3.27 103.07 96.13 1ddu h GLY 257 Ca -0.41 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1ddu h GLY 257 CO 0.49 -0.60 -0.92 1.39 0.00 0.00 0.00 176.54 176.91 1ddu n ILE 258 N -5.28-12.55 -3.19 2.60 5.41 -1.26 -4.10 119.36 100.99 1ddu n ILE 258 Ca 0.30 2.99 -0.39 0.00 1.00 0.00 0.00 62.75 66.64 1ddu n ILE 258 Cb 0.98 -5.74 -0.06 0.00 -0.71 0.00 0.00 39.64 34.12 1ddu n ILE 258 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1ddu s LYS 259 N -0.55 4.23 0.01 0.38 -0.14 -1.26 -5.04 119.74 117.37 1ddu s LYS 259 Ca 0.00 0.52 0.03 0.00 -1.36 0.00 0.00 55.97 55.16 1ddu s LYS 259 Cb 0.00 -3.55 -0.01 0.00 -1.68 0.00 0.00 37.83 32.59 1ddu s LYS 259 CO 0.00 -0.14 -0.08 0.00 -0.76 0.00 0.00 175.35 174.37 1ddu s ALA 260 N 1.58 0.65 0.14 5.17 0.00 -1.26 -5.01 121.76 123.04 1ddu s ALA 260 Ca 0.27 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 1ddu s ALA 260 Cb -0.16 -0.10 -0.07 0.00 0.00 0.00 0.00 23.12 22.79 1ddu s ALA 260 CO 0.10 0.11 1.26 -1.25 0.00 0.00 0.00 175.76 175.99 1ddu s PRO 261 N -0.65 4.42 0.05 0.00 0.04 -1.26 -5.02 135.00 132.57 1ddu s PRO 261 Ca -0.01 1.92 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 1ddu s PRO 261 Cb -0.05 -3.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 1ddu s PRO 261 CO 0.00 -0.25 0.42 0.54 0.04 0.00 0.00 177.00 177.76 1ddu s VAL 262 N 0.57 5.03 -0.13 -0.36 0.11 -1.26 -5.04 120.40 119.32 1ddu s VAL 262 Ca 0.58 0.68 -0.10 0.00 -2.93 0.00 0.00 61.98 60.21 1ddu s VAL 262 Cb -0.33 -3.69 -0.05 0.00 -1.53 0.00 0.00 36.38 30.78 1ddu s VAL 262 CO 0.33 0.42 0.20 0.00 -3.33 0.00 0.00 175.10 172.73 1ddu s ALA 263 N -1.26 3.75 0.00 1.54 0.00 -1.26 -5.26 121.76 119.27 1ddu s ALA 263 Ca 0.29 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1ddu s ALA 263 Cb -0.15 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.80 1ddu s ALA 263 CO 0.16 0.38 0.22 -0.89 0.00 0.00 0.00 175.76 175.63