#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdu h VAL 10 N 0.00 1.23 -0.01 2.62 3.04 -2.05 -2.76 116.25 118.32 3hdu h VAL 10 Ca 0.00 -1.08 -0.00 0.00 -1.01 0.00 0.00 66.70 64.61 3hdu h VAL 10 Cb 0.00 1.51 -0.00 0.00 -2.01 0.00 0.00 31.29 30.79 3hdu h VAL 10 CO 0.00 0.32 0.00 0.25 -1.01 0.00 0.00 177.57 177.13 3hdu h LEU 11 N 0.08 0.01 -0.97 3.16 5.85 -2.05 -1.39 115.31 120.00 3hdu h LEU 11 Ca 0.01 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3hdu h LEU 11 Cb 0.55 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3hdu h LEU 11 CO 0.04 0.30 0.49 -0.26 -0.34 0.00 0.00 178.44 178.67 3hdu h PHE 12 N -0.28 1.19 -0.32 1.25 -1.00 -1.98 -0.84 116.94 114.95 3hdu h PHE 12 Ca 0.00 -0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.71 3hdu h PHE 12 Cb 0.29 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 3hdu h PHE 12 CO 0.02 0.81 -0.02 0.77 -1.61 0.00 0.00 178.31 178.28 3hdu h SER 13 N 1.22 0.57 -0.42 2.17 0.02 -1.46 -2.01 113.55 113.63 3hdu h SER 13 Ca 0.31 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 3hdu h SER 13 Cb 0.00 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3hdu h SER 13 CO -0.05 0.76 -0.05 0.00 -1.14 0.00 0.00 176.83 176.35 3hdu h ALA 14 N 0.83 0.58 -0.57 3.77 0.00 -1.10 -2.83 119.26 119.94 3hdu h ALA 14 Ca 0.09 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3hdu h ALA 14 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hdu h ALA 14 CO 0.02 0.41 0.01 0.28 0.00 0.00 0.00 179.25 179.97 3hdu h VAL 15 N 0.61 1.26 -0.35 0.00 2.07 -1.19 -2.92 116.25 115.74 3hdu h VAL 15 Ca 0.11 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 3hdu h VAL 15 Cb 0.56 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3hdu h VAL 15 CO 0.03 0.40 0.21 0.78 0.02 0.00 0.00 177.57 179.01 3hdu h ASN 16 N 0.88 0.42 -0.12 0.57 4.21 -1.36 -1.88 115.58 118.31 3hdu h ASN 16 Ca 0.16 -0.05 0.05 0.00 1.21 0.00 0.00 56.30 57.67 3hdu h ASN 16 Cb 0.53 -0.11 -0.06 0.00 -1.12 0.00 0.00 38.32 37.57 3hdu h ASN 16 CO 0.03 0.34 -0.26 -0.33 -1.29 0.00 0.00 177.43 175.92 3hdu h GLU 17 N 0.45 -0.32 -0.38 0.81 4.39 -1.47 0.22 114.58 118.29 3hdu h GLU 17 Ca 0.12 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3hdu h GLU 17 Cb 0.00 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3hdu h GLU 17 CO -0.02 -0.21 0.19 0.82 -1.16 0.00 0.00 179.01 178.62 3hdu h ILE 18 N -0.33 1.16 0.19 3.13 2.04 -1.43 -0.92 117.51 121.34 3hdu h ILE 18 Ca 0.10 -0.43 -0.35 0.00 1.00 0.00 0.00 64.86 65.18 3hdu h ILE 18 Cb 0.48 0.75 0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3hdu h ILE 18 CO -0.31 0.16 -1.70 -0.26 0.00 0.00 0.00 178.15 176.04 3hdu h PHE 19 N 0.47 0.74 0.00 1.37 -1.00 -1.24 -3.33 116.94 113.96 3hdu h PHE 19 Ca 0.13 -0.54 -0.12 0.00 2.81 0.00 0.00 57.97 60.24 3hdu h PHE 19 Cb 0.09 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 3hdu h PHE 19 CO -0.02 1.66 -0.81 0.93 -1.61 0.00 0.00 178.31 178.46 3hdu h GLU 20 N 0.09 0.00 0.17 1.51 5.08 -0.66 -3.41 114.58 117.36 3hdu h GLU 20 Ca -0.33 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.70 3hdu h GLU 20 Cb 2.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.35 3hdu h GLU 20 CO 0.18 0.67 -1.62 0.93 -1.00 0.00 0.00 179.01 178.17 3hdu h GLU 21 N -1.00 0.36 -0.00 2.33 3.07 -1.48 -3.40 114.58 114.46 3hdu h GLU 21 Ca -0.19 -0.62 0.00 0.00 -0.50 0.00 0.00 59.36 58.06 3hdu h GLU 21 Cb 0.96 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3hdu h GLU 21 CO -0.11 1.30 -0.16 1.63 -1.40 0.00 0.00 179.01 180.26 3hdu n LYS 22 N -3.71 0.46 -2.91 2.33 4.76 -0.39 -4.82 118.16 113.89 3hdu n LYS 22 Ca -0.24 -0.17 -0.42 0.00 -2.87 0.00 0.00 58.31 54.61 3hdu n LYS 22 Cb 1.02 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.67 3hdu n LYS 22 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hdu s ILE 23 N -2.66 4.73 -0.98 -0.18 1.01 -1.25 -4.96 121.20 116.91 3hdu s ILE 23 Ca 0.23 1.16 0.14 0.00 0.00 0.00 0.00 60.65 62.18 3hdu s ILE 23 Cb 0.19 -4.21 0.11 0.00 0.01 0.00 0.00 42.46 38.57 3hdu s ILE 23 CO 0.52 -0.34 1.43 -2.65 0.00 0.00 0.00 174.94 173.90 3hdu n PRO 24 N 6.37 0.01 0.30 2.79 -0.02 -1.26 -2.81 135.00 140.38 3hdu n PRO 24 Ca 0.05 0.28 0.19 0.00 -2.02 0.00 0.00 63.50 62.00 3hdu n PRO 24 Cb 0.48 -1.52 0.89 0.00 -0.02 0.00 0.00 33.50 33.33 3hdu n PRO 24 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3hdu h PHE 25 N 0.00 0.00 -1.69 6.00 0.04 -1.93 -3.31 116.94 116.05 3hdu h PHE 25 Ca 0.00 0.00 0.52 0.00 2.80 0.00 0.00 57.97 61.29 3hdu h PHE 25 Cb 0.23 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.29 3hdu h PHE 25 CO 0.00 0.01 1.19 0.09 -0.60 0.00 0.00 178.31 179.00 3hdu n ASN 26 N -3.14 0.06 0.25 2.17 3.02 -1.12 -0.45 115.26 116.05 3hdu n ASN 26 Ca -0.01 1.06 0.10 0.00 -0.03 0.00 0.00 54.58 55.70 3hdu n ASN 26 Cb 0.21 -0.53 0.64 0.00 -0.61 0.00 0.00 39.78 39.50 3hdu n ASN 26 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3hdu h LYS 27 N 0.00 0.00 0.00 3.52 5.09 -1.87 -3.35 116.57 119.96 3hdu h LYS 27 Ca 0.87 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 61.43 3hdu h LYS 27 Cb 3.30 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 35.60 3hdu h LYS 27 CO -0.15 0.16 -1.68 1.51 -2.09 0.00 0.00 179.45 177.20 3hdu n ILE 28 N -3.80 0.68 -3.80 0.07 0.13 0.40 -4.89 119.36 108.16 3hdu n ILE 28 Ca -0.02 -0.32 -0.25 0.00 -1.10 0.00 0.00 62.75 61.05 3hdu n ILE 28 Cb 0.26 -0.86 -0.17 0.00 -0.84 0.00 0.00 39.64 38.03 3hdu n ILE 28 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 3hdu s ILE 29 N -2.24 0.61 0.57 9.51 1.01 -0.82 -2.16 121.20 127.68 3hdu s ILE 29 Ca -0.12 -0.23 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 3hdu s ILE 29 Cb 0.04 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 3hdu s ILE 29 CO 0.33 0.13 1.05 -0.83 0.00 0.00 0.00 174.94 175.61 3hdu s GLY 30 N 1.86 2.19 -0.11 6.18 0.00 0.95 -3.75 107.32 114.64 3hdu s GLY 30 Ca 0.03 0.42 -0.06 0.00 0.00 0.00 0.00 44.72 45.11 3hdu s GLY 30 CO -0.07 0.74 0.26 -2.27 0.00 0.00 0.00 173.10 171.76 3hdu s LEU 31 N -4.29 0.46 -0.02 0.66 0.20 -1.26 -1.86 118.68 112.56 3hdu s LEU 31 Ca 0.64 0.55 0.01 0.00 0.69 0.00 0.00 54.13 56.02 3hdu s LEU 31 Cb -0.16 0.80 0.02 0.00 -0.43 0.00 0.00 46.19 46.42 3hdu s LEU 31 CO 0.34 -0.16 -0.02 -0.54 -0.29 0.00 0.00 176.35 175.68 3hdu s LYS 32 N 1.11 0.43 -0.49 1.98 1.02 -0.49 -4.58 119.74 118.72 3hdu s LYS 32 Ca -0.08 -0.03 -0.26 0.00 0.02 0.00 0.00 55.97 55.61 3hdu s LYS 32 Cb -0.09 -0.51 0.03 0.00 -0.52 0.00 0.00 37.83 36.74 3hdu s LYS 32 CO -0.08 -0.05 1.01 0.08 -0.92 0.00 0.00 175.35 175.39 3hdu s VAL 33 N 0.64 4.35 -0.04 3.17 1.01 -1.26 -1.36 120.40 126.91 3hdu s VAL 33 Ca -0.07 0.79 -0.07 0.00 0.00 0.00 0.00 61.98 62.63 3hdu s VAL 33 Cb -0.10 -4.52 -0.29 0.00 0.00 0.00 0.00 36.38 31.46 3hdu s VAL 33 CO -0.01 -0.98 0.69 0.03 0.00 0.00 0.00 175.10 174.83 3hdu h ARG 34 N 9.21 0.32 -2.88 2.72 2.47 -1.39 -3.49 114.38 121.34 3hdu h ARG 34 Ca -0.24 -0.55 -0.13 0.00 -1.26 0.00 0.00 59.98 57.80 3hdu h ARG 34 Cb 1.07 0.21 -0.23 0.00 -1.65 0.00 0.00 29.97 29.37 3hdu h ARG 34 CO 1.08 1.21 -0.27 0.12 0.56 0.00 0.00 179.97 182.68 3hdu s PHE 35 N -2.59 -0.34 -0.03 3.04 5.36 -0.93 -4.96 117.98 117.52 3hdu s PHE 35 Ca -0.14 0.76 -0.03 0.00 -0.96 0.00 0.00 56.93 56.56 3hdu s PHE 35 Cb 0.06 0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.89 3hdu s PHE 35 CO 0.84 -0.27 0.08 0.96 -1.46 0.00 0.00 175.22 175.37 3hdu s ILE 36 N -0.35 -0.01 0.18 3.12 -4.36 -1.26 -0.64 121.20 117.88 3hdu s ILE 36 Ca -0.05 0.03 -0.23 0.00 -0.26 0.00 0.00 60.65 60.14 3hdu s ILE 36 Cb -0.03 -0.13 0.06 0.00 1.25 0.00 0.00 42.46 43.61 3hdu s ILE 36 CO 0.02 0.01 0.73 -0.94 0.24 0.00 0.00 174.94 175.00 3hdu s SER 37 N 0.23 -0.39 0.52 4.36 1.04 -0.07 -4.97 113.70 114.42 3hdu s SER 37 Ca -0.02 -0.25 0.18 0.00 0.48 0.00 0.00 55.95 56.34 3hdu s SER 37 Cb -0.03 0.60 1.32 0.00 0.10 0.00 0.00 66.02 68.01 3hdu s SER 37 CO -0.01 -1.04 2.15 -0.65 0.98 0.00 0.00 173.24 174.67 3hdu h PRO 38 N 2.00 0.00 0.00 4.02 0.11 -1.99 -3.15 132.00 132.99 3hdu h PRO 38 Ca -0.26 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.51 3hdu h PRO 38 Cb 1.27 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 3hdu h PRO 38 CO 0.30 0.01 -2.16 0.39 -0.21 0.00 0.00 178.00 176.34 3hdu n GLU 39 N -4.44 0.67 -3.82 1.05 -0.58 -1.26 -3.88 120.64 108.38 3hdu n GLU 39 Ca -0.03 0.08 -0.12 0.00 -0.42 0.00 0.00 57.16 56.67 3hdu n GLU 39 Cb 0.10 -1.61 -0.13 0.00 -0.57 0.00 0.00 31.44 29.24 3hdu n GLU 39 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3hdu s GLN 40 N -2.55 0.15 0.06 3.49 0.74 -1.19 -0.20 119.66 120.15 3hdu s GLN 40 Ca -0.08 0.19 0.04 0.00 0.05 0.00 0.00 55.36 55.56 3hdu s GLN 40 Cb 0.07 0.06 -0.03 0.00 1.10 0.00 0.00 33.01 34.21 3hdu s GLN 40 CO 0.83 -0.03 -0.12 0.14 -0.55 0.00 0.00 175.29 175.57 3hdu s VAL 41 N 0.14 0.88 -0.05 1.34 -7.23 -0.11 -0.89 120.40 114.48 3hdu s VAL 41 Ca -0.01 -1.21 -0.01 0.00 -1.81 0.00 0.00 61.98 58.94 3hdu s VAL 41 Cb -0.02 -0.88 0.03 0.00 0.56 0.00 0.00 36.38 36.07 3hdu s VAL 41 CO -0.00 -0.29 0.02 -0.75 -0.31 0.00 0.00 175.10 173.77 3hdu s LYS 42 N -1.67 0.26 -0.00 4.82 2.20 0.19 0.07 119.74 125.61 3hdu s LYS 42 Ca -0.05 0.20 0.07 0.00 -0.36 0.00 0.00 55.97 55.83 3hdu s LYS 42 Cb -0.10 -0.66 -0.03 0.00 -1.51 0.00 0.00 37.83 35.54 3hdu s LYS 42 CO 0.02 -0.27 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.01 3hdu s LEU 43 N 1.78 2.36 -0.07 5.43 1.43 -0.30 -0.93 118.68 128.36 3hdu s LEU 43 Ca 0.01 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 3hdu s LEU 43 Cb -0.13 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 3hdu s LEU 43 CO -0.03 0.30 -0.13 -0.94 0.23 0.00 0.00 176.35 175.78 3hdu s SER 44 N -0.94 4.15 0.12 2.29 1.04 -0.46 -0.65 113.70 119.24 3hdu s SER 44 Ca 0.12 -0.19 0.11 0.00 0.48 0.00 0.00 55.95 56.46 3hdu s SER 44 Cb -0.10 -1.09 -0.04 0.00 0.10 0.00 0.00 66.02 64.89 3hdu s SER 44 CO 0.01 0.31 -0.26 -0.36 0.98 0.00 0.00 173.24 173.91 3hdu s PHE 45 N -0.48 2.26 0.00 5.02 0.40 0.33 -1.39 117.98 124.12 3hdu s PHE 45 Ca 0.06 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 3hdu s PHE 45 Cb -0.12 -1.24 0.00 0.00 0.51 0.00 0.00 43.02 42.17 3hdu s PHE 45 CO 0.02 0.30 0.00 -1.91 0.70 0.00 0.00 175.22 174.33 3hdu n GLU 46 N 1.03 1.44 0.00 0.44 2.13 -0.78 -2.11 120.64 122.78 3hdu n GLU 46 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 3hdu n GLU 46 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 3hdu n GLU 46 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hdu n ARG 48 N 0.00 0.04 -4.04 5.31 1.74 -0.92 -0.04 116.66 118.76 3hdu n ARG 48 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 3hdu n ARG 48 Cb 0.00 -0.22 -0.15 0.00 -1.02 0.00 0.00 32.46 31.07 3hdu n ARG 48 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hdu s ASP 49 N -0.98 4.54 0.00 0.55 2.15 -1.24 -5.02 116.67 116.67 3hdu s ASP 49 Ca 0.00 -1.45 0.22 0.00 0.43 0.00 0.00 52.55 51.75 3hdu s ASP 49 Cb 0.00 -1.58 0.99 0.00 -0.30 0.00 0.00 42.92 42.03 3hdu s ASP 49 CO 0.00 -0.22 1.70 -0.62 -0.17 0.00 0.00 175.17 175.86 3hdu n GLU 50 N 4.44 0.12 -2.56 4.34 1.02 -1.26 -4.94 120.64 121.80 3hdu n GLU 50 Ca -0.12 0.11 -0.16 0.00 -0.02 0.00 0.00 57.16 56.97 3hdu n GLU 50 Cb 0.42 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.35 3hdu n GLU 50 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hdu n LEU 51 N -1.42 -2.06 -4.74 -4.62 4.77 -1.26 -4.96 117.00 102.71 3hdu n LEU 51 Ca 0.07 -0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.52 3hdu n LEU 51 Cb 0.22 -2.34 -0.03 0.00 -2.33 0.00 0.00 43.42 38.94 3hdu n LEU 51 CO 0.19 0.01 0.99 -0.63 -1.33 0.00 0.00 177.39 176.62 3hdu s ILE 52 N -2.90 3.11 0.00 -0.08 1.09 -1.26 -2.85 121.20 118.31 3hdu s ILE 52 Ca 0.11 0.94 0.00 0.00 -1.10 0.00 0.00 60.65 60.60 3hdu s ILE 52 Cb -0.05 -3.60 0.00 0.00 -1.06 0.00 0.00 42.46 37.75 3hdu s ILE 52 CO 0.14 0.15 0.00 0.61 -0.10 0.00 0.00 174.94 175.74 3hdu n GLY 53 N 2.15 1.51 3.74 6.18 0.00 -1.26 -5.05 105.19 112.46 3hdu n GLY 53 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3hdu n GLY 53 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hdu s ASN 54 N -3.06 7.22 0.54 1.61 3.84 -1.13 -4.95 114.94 119.00 3hdu s ASN 54 Ca 0.00 2.18 0.28 0.00 0.21 0.00 0.00 52.86 55.53 3hdu s ASN 54 Cb 0.00 -2.61 1.52 0.00 -0.55 0.00 0.00 41.25 39.61 3hdu s ASN 54 CO 0.00 -0.24 2.11 0.00 -2.79 0.00 0.00 177.10 176.18 3hdu h ALA 55 N 4.79 1.32 -1.03 1.71 0.00 -1.96 -3.05 119.26 121.04 3hdu h ALA 55 Ca -0.45 -0.09 -0.50 0.00 0.00 0.00 0.00 54.91 53.87 3hdu h ALA 55 Cb 1.21 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 18.57 3hdu h ALA 55 CO 0.71 0.12 -0.88 0.44 0.00 0.00 0.00 179.25 179.65 3hdu n ILE 56 N -3.67 2.10 0.15 0.00 -5.35 -1.26 -4.90 119.36 106.43 3hdu n ILE 56 Ca -0.02 -4.16 -0.14 0.00 -0.27 0.00 0.00 62.75 58.16 3hdu n ILE 56 Cb 0.21 -0.63 -0.08 0.00 -1.74 0.00 0.00 39.64 37.40 3hdu n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3hdu h ARG 57 N 2.50 -0.29 -0.27 6.28 2.43 -1.84 -0.89 114.38 122.30 3hdu h ARG 57 Ca 0.21 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3hdu h ARG 57 Cb 1.22 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3hdu h ARG 57 CO 0.68 -0.19 0.00 0.54 -1.51 0.00 0.00 179.97 179.49 3hdu n ARG 58 N -5.22 0.00 0.00 0.20 1.74 -1.26 -1.61 116.66 110.51 3hdu n ARG 58 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3hdu n ARG 58 Cb 0.14 -0.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 3hdu n ARG 58 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hdu n LEU 60 N 0.49 0.00 0.23 0.55 4.77 -0.34 -2.60 117.00 120.10 3hdu n LEU 60 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3hdu n LEU 60 Cb 0.00 0.00 0.55 0.00 -2.33 0.00 0.00 43.42 41.64 3hdu n LEU 60 CO 0.00 0.00 0.95 1.88 -1.33 0.00 0.00 177.39 178.89 3hdu h TYR 61 N 0.00 0.00 -0.31 -1.77 -1.99 -1.57 -2.68 116.97 108.65 3hdu h TYR 61 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3hdu h TYR 61 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 3hdu h TYR 61 CO 0.00 0.13 0.19 0.78 -0.00 0.00 0.00 178.16 179.27 3hdu h GLY 62 N 0.41 0.44 1.20 3.88 0.00 -1.78 -1.61 103.07 105.61 3hdu h GLY 62 Ca -0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 3hdu h GLY 62 CO 0.02 0.17 -0.08 -1.33 0.00 0.00 0.00 176.54 175.32 3hdu h GLY 63 N 0.40 1.02 0.98 4.60 0.00 -1.85 -2.28 103.07 105.95 3hdu h GLY 63 Ca 0.11 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 3hdu h GLY 63 CO -0.02 0.72 0.22 -2.08 0.00 0.00 0.00 176.54 175.38 3hdu h VAL 64 N 0.85 1.22 -0.53 4.60 2.07 -1.35 -2.06 116.25 121.05 3hdu h VAL 64 Ca 0.14 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3hdu h VAL 64 Cb 0.61 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3hdu h VAL 64 CO 0.04 0.26 0.14 0.40 0.02 0.00 0.00 177.57 178.42 3hdu h ILE 65 N 0.74 1.24 -0.65 4.57 2.04 -1.24 -1.01 117.51 123.19 3hdu h ILE 65 Ca 0.18 -0.85 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 3hdu h ILE 65 Cb 0.19 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3hdu h ILE 65 CO -0.02 0.31 0.24 0.77 0.00 0.00 0.00 178.15 179.45 3hdu h SER 66 N 0.74 0.92 -0.50 1.72 4.64 -1.31 -1.06 113.55 118.69 3hdu h SER 66 Ca 0.17 -0.19 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 3hdu h SER 66 Cb 0.32 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 3hdu h SER 66 CO 0.00 0.85 0.08 0.28 -0.87 0.00 0.00 176.83 177.18 3hdu h SER 67 N 0.92 0.80 -0.33 4.97 0.02 -1.29 -0.57 113.55 118.08 3hdu h SER 67 Ca 0.21 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3hdu h SER 67 Cb 0.24 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3hdu h SER 67 CO -0.01 0.85 0.21 0.00 -1.14 0.00 0.00 176.83 176.74 3hdu h ALA 68 N 0.97 0.41 -0.10 3.77 0.00 -1.00 -3.02 119.26 120.29 3hdu h ALA 68 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hdu h ALA 68 Cb 0.39 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hdu h ALA 68 CO 0.01 -0.11 0.06 0.82 0.00 0.00 0.00 179.25 180.03 3hdu h ILE 69 N 0.44 1.06 0.00 0.00 2.04 -1.13 -1.35 117.51 118.57 3hdu h ILE 69 Ca 0.12 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3hdu h ILE 69 Cb -0.03 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3hdu h ILE 69 CO -0.02 0.05 0.00 -0.67 0.00 0.00 0.00 178.15 177.51 3hdu n ASP 70 N -4.99 0.00 0.00 1.72 2.03 -0.23 -1.20 116.55 113.88 3hdu n ASP 70 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 3hdu n ASP 70 Cb 0.05 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 3hdu n ASP 70 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3hdu n THR 72 N 0.62 0.00 0.05 5.18 -1.04 -0.51 -1.32 114.28 117.26 3hdu n THR 72 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hdu n THR 72 Cb 0.00 0.00 0.31 0.00 -1.82 0.00 0.00 70.33 68.82 3hdu n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hdu h ALA 73 N 0.00 1.36 -0.49 2.41 0.00 -1.42 -1.09 119.26 120.04 3hdu h ALA 73 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 3hdu h ALA 73 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hdu h ALA 73 CO 0.00 0.44 -0.20 0.78 0.00 0.00 0.00 179.25 180.26 3hdu h GLY 74 N 0.86 1.07 1.28 0.00 0.00 -1.46 0.03 103.07 104.86 3hdu h GLY 74 Ca 0.07 -0.94 -0.14 0.00 0.00 0.00 0.00 47.33 46.32 3hdu h GLY 74 CO 0.02 0.86 -0.34 -2.00 0.00 0.00 0.00 176.54 175.08 3hdu h LEU 75 N 0.86 0.84 -0.39 3.11 5.85 -1.79 -1.78 115.31 122.00 3hdu h LEU 75 Ca 0.11 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 3hdu h LEU 75 Cb 0.78 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3hdu h LEU 75 CO 0.06 1.10 0.10 0.00 -0.34 0.00 0.00 178.44 179.37 3hdu h ALA 76 N 0.94 0.52 -0.50 1.25 0.00 -1.10 -3.07 119.26 117.30 3hdu h ALA 76 Ca 0.07 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3hdu h ALA 76 Cb 0.89 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3hdu h ALA 76 CO 0.08 0.19 0.31 0.00 0.00 0.00 0.00 179.25 179.83 3hdu h ALA 77 N 0.95 0.64 0.00 0.00 0.00 -0.96 -1.89 119.26 118.01 3hdu h ALA 77 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hdu h ALA 77 Cb 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hdu h ALA 77 CO 0.00 0.02 0.00 0.34 0.00 0.00 0.00 179.25 179.61 3hdu n PHE 78 N -4.78 0.00 0.00 0.00 7.35 -0.67 -0.98 117.46 118.38 3hdu n PHE 78 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 3hdu n PHE 78 Cb 0.06 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 39.87 3hdu n PHE 78 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hdu n GLY 80 N 0.49 0.00 0.22 7.13 0.00 -0.71 -0.96 105.19 111.37 3hdu n GLY 80 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3hdu n GLY 80 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3hdu h PHE 81 N 0.00 0.85 -0.10 1.61 0.04 -1.34 -3.22 116.94 114.78 3hdu h PHE 81 Ca 0.00 -0.20 -0.06 0.00 2.80 0.00 0.00 57.97 60.52 3hdu h PHE 81 Cb 0.00 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 3hdu h PHE 81 CO 0.00 0.92 -0.19 -0.56 -0.60 0.00 0.00 178.31 177.87 3hdu h GLN 82 N 0.54 0.16 -0.99 1.51 -0.00 -1.30 -2.63 115.11 112.40 3hdu h GLN 82 Ca 0.09 -0.04 0.02 0.00 -0.00 0.00 0.00 58.65 58.71 3hdu h GLN 82 Cb 0.67 -0.02 -0.05 0.00 -0.00 0.00 0.00 27.48 28.08 3hdu h GLN 82 CO 0.05 0.36 0.66 1.49 -0.00 0.00 0.00 178.83 181.38 3hdu h GLU 83 N 0.15 1.28 -3.86 0.06 4.57 -1.79 -3.39 114.58 111.60 3hdu h GLU 83 Ca 0.03 -0.08 -0.47 0.00 -1.18 0.00 0.00 59.36 57.66 3hdu h GLU 83 Cb 0.43 -0.29 0.03 0.00 -0.16 0.00 0.00 28.75 28.76 3hdu h GLU 83 CO 0.03 0.85 2.44 1.63 -1.18 0.00 0.00 179.01 182.78 3hdu n LYS 84 N -4.41 1.79 0.03 1.92 5.02 -0.99 -5.01 118.16 116.51 3hdu n LYS 84 Ca 0.12 -1.57 0.00 0.00 -2.02 0.00 0.00 58.31 54.84 3hdu n LYS 84 Cb 0.03 -2.62 0.00 0.00 -0.02 0.00 0.00 35.03 32.42 3hdu n LYS 84 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hdu n SER 86 N 5.50 -0.57 -0.84 4.39 3.41 -1.26 -5.03 113.62 119.21 3hdu n SER 86 Ca 0.45 0.25 0.04 0.00 -0.26 0.00 0.00 58.87 59.35 3hdu n SER 86 Cb 0.23 0.76 0.16 0.00 -0.26 0.00 0.00 64.21 65.10 3hdu n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hdu n GLY 87 N -1.38 1.29 3.87 5.00 0.00 -1.26 -4.95 105.19 107.76 3hdu n GLY 87 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 3hdu n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hdu s LYS 88 N -1.66 3.84 0.00 1.61 -0.14 -1.26 -5.22 119.74 116.91 3hdu s LYS 88 Ca 0.23 0.54 0.00 0.00 -1.36 0.00 0.00 55.97 55.38 3hdu s LYS 88 Cb 0.15 -2.38 0.00 0.00 -1.68 0.00 0.00 37.83 33.91 3hdu s LYS 88 CO 0.11 -0.01 0.00 -2.30 -0.76 0.00 0.00 175.35 172.39 3hdu n PRO 89 N -1.10 0.00 0.00 -1.68 -0.02 -1.26 -4.93 135.00 126.01 3hdu n PRO 89 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3hdu n PRO 89 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 3hdu n PRO 89 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hdu n GLU 91 N 0.00 0.00 -0.00 -0.52 4.71 -1.26 -2.77 120.64 120.80 3hdu n GLU 91 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 3hdu n GLU 91 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 31.44 30.53 3hdu n GLU 91 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3hdu h GLU 92 N 0.00 0.55 -0.14 3.49 5.08 -1.98 -1.21 114.58 120.37 3hdu h GLU 92 Ca 0.00 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3hdu h GLU 92 Cb 0.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3hdu h GLU 92 CO 0.00 0.88 0.05 0.87 -1.00 0.00 0.00 179.01 179.81 3hdu h LYS 93 N 0.45 0.21 -0.45 2.33 1.57 -1.88 -3.03 116.57 115.77 3hdu h LYS 93 Ca 0.03 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3hdu h LYS 93 Cb 0.94 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3hdu h LYS 93 CO 0.08 0.33 0.14 -0.07 -0.57 0.00 0.00 179.45 179.37 3hdu h LEU 94 N 0.04 0.60 -3.18 2.94 4.07 -1.84 -3.23 115.31 114.71 3hdu h LEU 94 Ca 0.04 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3hdu h LEU 94 Cb 0.21 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.79 3hdu h LEU 94 CO -0.00 0.57 0.00 0.00 -1.08 0.00 0.00 178.44 177.93 3hdu n ALA 95 N -2.47 2.14 0.00 1.53 0.00 -0.46 -4.22 120.51 117.03 3hdu n ALA 95 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3hdu n ALA 95 Cb 0.18 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3hdu n ALA 95 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3hdu n ILE 97 N 1.54 0.00 0.28 0.00 3.06 -1.22 -4.00 119.36 119.03 3hdu n ILE 97 Ca 0.00 0.00 0.18 0.00 -2.50 0.00 0.00 62.75 60.43 3hdu n ILE 97 Cb 0.16 0.00 0.74 0.00 0.54 0.00 0.00 39.64 41.08 3hdu n ILE 97 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 3hdu h GLY 98 N 0.00 0.00 1.13 4.50 0.00 -1.92 -2.91 103.07 103.87 3hdu h GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hdu h GLY 98 CO 0.00 0.00 -0.53 0.54 0.00 0.00 0.00 176.54 176.55 3hdu n ARG 99 N -3.11 0.13 -2.01 4.80 1.74 -1.26 -4.92 116.66 112.03 3hdu n ARG 99 Ca 0.00 0.04 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 3hdu n ARG 99 Cb 0.28 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 3hdu n ARG 99 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hdu s LEU 100 N -3.55 4.36 -0.00 0.55 1.43 -1.10 -1.22 118.68 119.15 3hdu s LEU 100 Ca 0.09 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 3hdu s LEU 100 Cb 0.16 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.81 3hdu s LEU 100 CO 0.70 -0.81 0.01 -0.55 0.23 0.00 0.00 176.35 175.93 3hdu s SER 101 N 1.74 0.02 0.95 2.29 0.15 -0.00 -4.96 113.70 113.89 3hdu s SER 101 Ca 0.70 0.01 -0.13 0.00 0.70 0.00 0.00 55.95 57.23 3hdu s SER 101 Cb -0.39 -0.01 0.16 0.00 -1.71 0.00 0.00 66.02 64.07 3hdu s SER 101 CO 0.31 -0.03 1.13 -0.89 1.20 0.00 0.00 173.24 174.96 3hdu s THR 102 N 0.22 1.99 0.25 6.45 2.01 -1.26 -1.07 115.64 124.22 3hdu s THR 102 Ca -0.02 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.67 3hdu s THR 102 Cb -0.03 -2.66 -0.13 0.00 0.01 0.00 0.00 72.50 69.69 3hdu s THR 102 CO -0.01 0.00 1.45 -0.24 -0.69 0.00 0.00 174.62 175.14 3hdu n SER 104 N -3.95 3.01 -3.80 3.53 2.88 -1.16 -4.92 113.62 109.22 3hdu n SER 104 Ca 0.06 1.14 -0.27 0.00 -1.33 0.00 0.00 58.87 58.47 3hdu n SER 104 Cb 0.59 -1.47 -0.17 0.00 -0.75 0.00 0.00 64.21 62.42 3hdu n SER 104 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3hdu s LEU 105 N -0.02 1.36 -0.24 2.46 2.96 -1.26 -0.86 118.68 123.07 3hdu s LEU 105 Ca 0.67 -0.72 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 3hdu s LEU 105 Cb -0.61 -0.72 0.04 0.00 0.50 0.00 0.00 46.19 45.40 3hdu s LEU 105 CO 0.49 -0.25 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.16 3hdu s HIS 106 N 1.77 3.11 -0.11 5.38 3.76 -0.14 -5.02 115.29 124.04 3hdu s HIS 106 Ca -0.00 -1.95 0.03 0.00 -0.15 0.00 0.00 55.06 52.98 3hdu s HIS 106 Cb -0.16 -1.98 0.01 0.00 1.11 0.00 0.00 32.58 31.56 3hdu s HIS 106 CO -0.07 -0.82 -0.19 0.08 -0.85 0.00 0.00 174.74 172.89 3hdu s VAL 107 N 1.21 1.73 -0.19 -0.90 1.01 -1.26 -0.71 120.40 121.29 3hdu s VAL 107 Ca -0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 3hdu s VAL 107 Cb -0.18 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 3hdu s VAL 107 CO -0.06 0.49 -0.06 -1.61 0.00 0.00 0.00 175.10 173.86 3hdu s GLU 108 N 0.70 3.46 -0.22 2.72 0.41 -0.44 -5.01 118.70 120.32 3hdu s GLU 108 Ca -0.12 -0.61 -0.12 0.00 -0.41 0.00 0.00 54.97 53.72 3hdu s GLU 108 Cb -0.16 -2.92 -0.05 0.00 -1.78 0.00 0.00 34.13 29.22 3hdu s GLU 108 CO 0.02 -0.01 0.22 0.71 -0.49 0.00 0.00 175.26 175.72 3hdu s TYR 109 N 0.98 3.34 -0.05 1.61 1.51 -1.26 -1.46 117.35 122.02 3hdu s TYR 109 Ca -0.00 0.34 0.10 0.00 -1.01 0.00 0.00 57.07 56.50 3hdu s TYR 109 Cb -0.15 -2.32 -0.23 0.00 -0.11 0.00 0.00 41.96 39.15 3hdu s TYR 109 CO 0.00 0.07 0.63 1.28 -1.11 0.00 0.00 175.55 176.43 3hdu n LEU 110 N 4.24 1.08 -3.89 -1.29 4.32 0.74 -4.98 117.00 117.22 3hdu n LEU 110 Ca -0.13 0.39 -0.08 0.00 -0.02 0.00 0.00 56.01 56.17 3hdu n LEU 110 Cb 0.52 0.02 -0.02 0.00 -1.62 0.00 0.00 43.42 42.32 3hdu n LEU 110 CO 0.37 0.44 0.41 0.00 -1.22 0.00 0.00 177.39 177.39 3hdu s ARG 111 N -2.59 1.86 0.56 3.23 1.70 -1.15 -5.05 118.95 117.51 3hdu s ARG 111 Ca -0.07 -1.19 -0.19 0.00 -0.47 0.00 0.00 55.73 53.81 3hdu s ARG 111 Cb 0.08 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 34.99 3hdu s ARG 111 CO 0.82 -0.84 1.15 -2.14 -1.08 0.00 0.00 175.30 173.20 3hdu s PRO 112 N -3.50 3.23 0.00 3.89 0.02 -1.26 -4.84 135.00 132.54 3hdu s PRO 112 Ca 0.15 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.82 3hdu s PRO 112 Cb -0.04 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.49 3hdu s PRO 112 CO 0.09 -0.95 0.40 0.41 -0.33 0.00 0.00 177.00 176.62 3hdu n GLY 113 N 0.20 -1.21 3.77 0.52 0.00 -1.26 -4.92 105.19 102.29 3hdu n GLY 113 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3hdu n GLY 113 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3hdu n LEU 114 N -1.73 -0.55 -4.36 0.99 -0.00 -1.26 -4.94 117.00 105.15 3hdu n LEU 114 Ca 0.00 -0.69 -0.20 0.00 -0.00 0.00 0.00 56.01 55.12 3hdu n LEU 114 Cb 0.00 -1.33 -0.10 0.00 -0.00 0.00 0.00 43.42 41.98 3hdu n LEU 114 CO 0.00 0.07 -0.46 -0.83 -0.00 0.00 0.00 177.39 176.16 3hdu s GLY 115 N -2.74 1.49 -0.04 1.47 0.00 -1.26 -5.08 107.32 101.15 3hdu s GLY 115 Ca 0.56 -1.63 -0.25 0.00 0.00 0.00 0.00 44.72 43.39 3hdu s GLY 115 CO 0.68 -1.71 1.12 3.21 0.00 0.00 0.00 173.10 176.40 3hdu h ARG 116 N 2.76 -0.07 -5.28 2.90 -0.00 -1.97 -3.46 114.38 109.27 3hdu h ARG 116 Ca -0.40 0.00 -0.51 0.00 -0.50 0.00 0.00 59.98 58.58 3hdu h ARG 116 Cb 1.22 0.02 -0.30 0.00 0.00 0.00 0.00 29.97 30.91 3hdu h ARG 116 CO 0.58 0.46 -0.82 -2.00 0.00 0.00 0.00 179.97 178.19 3hdu s GLU 117 N -3.85 1.31 0.05 0.04 2.12 -1.26 -4.48 118.70 112.62 3hdu s GLU 117 Ca -0.15 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 54.66 3hdu s GLU 117 Cb 0.01 -1.22 -0.03 0.00 0.26 0.00 0.00 34.13 33.14 3hdu s GLU 117 CO 0.63 0.28 -0.05 -0.59 -0.54 0.00 0.00 175.26 174.99 3hdu s PHE 118 N -0.20 0.56 0.02 5.30 -0.12 -0.90 -2.67 117.98 119.97 3hdu s PHE 118 Ca 0.03 -0.70 0.08 0.00 -0.05 0.00 0.00 56.93 56.28 3hdu s PHE 118 Cb -0.07 -0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 41.94 3hdu s PHE 118 CO 0.00 -0.19 -0.23 0.54 -0.05 0.00 0.00 175.22 175.29 3hdu s VAL 119 N -2.34 1.84 -0.08 -2.49 0.11 -1.26 -0.51 120.40 115.66 3hdu s VAL 119 Ca -0.04 -1.16 0.01 0.00 -2.93 0.00 0.00 61.98 57.85 3hdu s VAL 119 Cb -0.04 -1.56 0.02 0.00 -1.53 0.00 0.00 36.38 33.27 3hdu s VAL 119 CO -0.03 0.36 -0.09 0.00 -3.33 0.00 0.00 175.10 172.01 3hdu s THR 121 N 1.14 3.96 -0.20 0.00 2.01 -0.56 -1.15 115.64 120.84 3hdu s THR 121 Ca -0.06 -0.34 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 3hdu s THR 121 Cb -0.14 -2.73 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 3hdu s THR 121 CO -0.02 0.51 -0.07 -0.83 -0.69 0.00 0.00 174.62 173.51 3hdu s GLY 122 N 0.20 1.57 -0.21 4.40 0.00 0.11 -1.50 107.32 111.88 3hdu s GLY 122 Ca -0.02 -1.14 -0.07 0.00 0.00 0.00 0.00 44.72 43.50 3hdu s GLY 122 CO 0.03 0.34 0.05 -0.19 0.00 0.00 0.00 173.10 173.32 3hdu s TYR 123 N 1.32 3.11 -0.46 1.90 2.02 0.17 -0.93 117.35 124.48 3hdu s TYR 123 Ca 0.04 -0.27 -0.28 0.00 -0.37 0.00 0.00 57.07 56.18 3hdu s TYR 123 Cb -0.14 -2.14 0.03 0.00 -0.40 0.00 0.00 41.96 39.31 3hdu s TYR 123 CO -0.04 -0.16 1.09 1.21 -1.57 0.00 0.00 175.55 176.08 3hdu s ASN 124 N 1.04 6.63 -0.07 2.29 3.84 0.71 -1.47 114.94 127.91 3hdu s ASN 124 Ca 0.03 0.44 -0.15 0.00 0.21 0.00 0.00 52.86 53.39 3hdu s ASN 124 Cb -0.14 -2.53 -0.11 0.00 -0.55 0.00 0.00 41.25 37.92 3hdu s ASN 124 CO 0.03 -1.19 0.58 0.58 -2.79 0.00 0.00 177.10 174.31 3hdu h VAL 125 N 6.17 0.53 -2.44 -5.21 2.07 -1.62 -3.47 116.25 112.27 3hdu h VAL 125 Ca -0.23 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.12 3hdu h VAL 125 Cb 1.06 0.92 -0.24 0.00 -1.52 0.00 0.00 31.29 31.51 3hdu h VAL 125 CO 1.10 0.15 -0.17 -0.13 0.02 0.00 0.00 177.57 178.54 3hdu s ARG 126 N -2.81 0.52 -0.30 1.57 3.00 -1.22 -5.05 118.95 114.66 3hdu s ARG 126 Ca -0.09 0.89 -0.01 0.00 0.00 0.00 0.00 55.73 56.52 3hdu s ARG 126 Cb 0.00 0.09 0.05 0.00 0.00 0.00 0.00 34.95 35.09 3hdu s ARG 126 CO 0.32 -0.14 -0.01 0.99 0.00 0.00 0.00 175.30 176.46 3hdu s THR 127 N 1.21 2.89 0.00 0.02 2.01 -1.26 -1.75 115.64 118.77 3hdu s THR 127 Ca -0.08 -1.43 0.00 0.00 0.31 0.00 0.00 61.69 60.49 3hdu s THR 127 Cb -0.06 -2.68 0.00 0.00 0.01 0.00 0.00 72.50 69.77 3hdu s THR 127 CO -0.12 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 3hdu n GLY 128 N 4.60 1.15 0.15 4.40 0.00 -0.19 -5.01 105.19 110.30 3hdu n GLY 128 Ca -0.13 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.25 3hdu n GLY 128 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3hdu h ASN 129 N 0.00 -0.24 0.00 1.61 -1.24 -2.02 -3.42 115.58 110.27 3hdu h ASN 129 Ca 0.00 -0.12 -0.08 0.00 0.71 0.00 0.00 56.30 56.81 3hdu h ASN 129 Cb 0.00 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 3hdu h ASN 129 CO 0.00 0.26 -1.81 0.29 -1.29 0.00 0.00 177.43 174.88 3hdu n LYS 130 N -4.96 0.81 -4.72 6.67 4.76 -1.26 -5.00 118.16 114.46 3hdu n LYS 130 Ca -0.05 -0.10 -0.33 0.00 -2.87 0.00 0.00 58.31 54.95 3hdu n LYS 130 Cb 0.18 -1.38 -0.13 0.00 -1.84 0.00 0.00 35.03 31.86 3hdu n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hdu s VAL 131 N -2.88 3.33 -0.25 -0.18 1.01 -1.26 -3.50 120.40 116.67 3hdu s VAL 131 Ca -0.06 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3hdu s VAL 131 Cb 0.08 -2.37 0.06 0.00 0.00 0.00 0.00 36.38 34.15 3hdu s VAL 131 CO 0.64 0.56 -0.11 0.00 0.00 0.00 0.00 175.10 176.19 3hdu s ALA 132 N -0.26 2.48 -0.19 5.51 0.00 -0.21 -1.02 121.76 128.08 3hdu s ALA 132 Ca 0.02 -1.68 -0.18 0.00 0.00 0.00 0.00 51.96 50.12 3hdu s ALA 132 Cb -0.13 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 3hdu s ALA 132 CO 0.03 -1.14 0.50 0.08 0.00 0.00 0.00 175.76 175.22 3hdu s VAL 133 N 1.15 5.13 -0.05 0.00 1.01 -0.71 -1.67 120.40 125.25 3hdu s VAL 133 Ca -0.08 0.92 0.06 0.00 0.00 0.00 0.00 61.98 62.88 3hdu s VAL 133 Cb -0.19 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 3hdu s VAL 133 CO -0.06 0.21 -0.23 -0.63 0.00 0.00 0.00 175.10 174.39 3hdu s ILE 134 N 1.43 1.88 -0.19 2.22 1.09 0.63 -1.64 121.20 126.62 3hdu s ILE 134 Ca 0.24 -0.97 -0.07 0.00 -1.10 0.00 0.00 60.65 58.74 3hdu s ILE 134 Cb -0.15 -1.60 -0.04 0.00 -1.06 0.00 0.00 42.46 39.61 3hdu s ILE 134 CO 0.09 0.53 0.05 0.00 -0.10 0.00 0.00 174.94 175.51 3hdu s ARG 135 N -0.13 3.89 0.20 2.79 3.03 -0.54 -0.45 118.95 127.74 3hdu s ARG 135 Ca -0.03 -0.38 0.10 0.00 2.03 0.00 0.00 55.73 57.44 3hdu s ARG 135 Cb -0.13 -3.20 -0.04 0.00 -1.03 0.00 0.00 34.95 30.55 3hdu s ARG 135 CO 0.03 0.19 -0.13 0.95 -1.13 0.00 0.00 175.30 175.22 3hdu s THR 136 N 0.58 2.97 -0.11 4.99 -4.23 0.13 -0.65 115.64 119.31 3hdu s THR 136 Ca 0.03 -1.85 -0.02 0.00 -1.18 0.00 0.00 61.69 58.67 3hdu s THR 136 Cb -0.13 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.26 3hdu s THR 136 CO 0.01 -0.17 0.03 -1.61 -0.54 0.00 0.00 174.62 172.34 3hdu s GLU 137 N -2.97 0.50 0.17 3.99 2.02 -0.57 -1.59 118.70 120.25 3hdu s GLU 137 Ca 0.25 -0.04 0.07 0.00 0.02 0.00 0.00 54.97 55.27 3hdu s GLU 137 Cb -0.08 -1.35 -0.04 0.00 0.10 0.00 0.00 34.13 32.76 3hdu s GLU 137 CO 0.15 -0.44 0.05 -1.17 0.02 0.00 0.00 175.26 173.86 3hdu s LEU 138 N 1.98 3.48 0.00 1.80 0.20 0.14 -1.49 118.68 124.78 3hdu s LEU 138 Ca 0.03 -0.31 0.00 0.00 0.69 0.00 0.00 54.13 54.54 3hdu s LEU 138 Cb -0.14 -2.12 0.00 0.00 -0.43 0.00 0.00 46.19 43.50 3hdu s LEU 138 CO -0.06 0.08 0.00 -0.46 -0.29 0.00 0.00 176.35 175.62 3hdu n ASN 140 N -0.21 1.17 -0.05 3.68 0.23 -1.08 -1.38 115.26 117.62 3hdu n ASN 140 Ca -0.09 -0.99 0.11 0.00 -0.53 0.00 0.00 54.58 53.07 3hdu n ASN 140 Cb 0.55 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.75 3hdu n ASN 140 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3hdu h ASP 141 N 0.00 0.36 -0.28 0.53 3.32 -1.88 -3.04 116.42 115.43 3hdu h ASP 141 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hdu h ASP 141 Cb 0.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3hdu h ASP 141 CO 0.00 0.23 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 3hdu n GLN 142 N -4.47 1.94 -2.67 3.56 6.02 -1.26 -4.91 117.38 115.60 3hdu n GLN 142 Ca 0.08 -1.13 -0.19 0.00 -0.01 0.00 0.00 57.00 55.75 3hdu n GLN 142 Cb 0.32 -1.40 0.01 0.00 1.02 0.00 0.00 30.24 30.19 3hdu n GLN 142 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3hdu n ASP 143 N 0.34 -5.44 -4.57 1.08 2.03 -1.15 -5.01 116.55 103.83 3hdu n ASP 143 Ca 0.10 -0.15 -0.36 0.00 0.52 0.00 0.00 54.79 54.91 3hdu n ASP 143 Cb 0.36 -4.38 -0.11 0.00 -0.72 0.00 0.00 41.12 36.27 3hdu n ASP 143 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3hdu s GLU 144 N -5.26 3.86 -0.19 -0.67 2.02 -1.26 -4.93 118.70 112.27 3hdu s GLU 144 Ca 0.15 -0.39 -0.29 0.00 0.02 0.00 0.00 54.97 54.46 3hdu s GLU 144 Cb -0.06 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 3hdu s GLU 144 CO 0.18 0.06 1.77 -1.17 0.02 0.00 0.00 175.26 176.12 3hdu s LEU 145 N 0.98 3.89 -0.17 1.80 2.96 -1.26 -2.63 118.68 124.25 3hdu s LEU 145 Ca 0.04 1.80 0.17 0.00 -0.22 0.00 0.00 54.13 55.93 3hdu s LEU 145 Cb -0.14 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.78 3hdu s LEU 145 CO 0.03 -1.35 0.10 2.30 -1.32 0.00 0.00 176.35 176.11 3hdu n ILE 146 N 6.53 1.16 -3.63 6.68 -5.35 -0.48 -4.71 119.36 119.57 3hdu n ILE 146 Ca 0.21 -0.76 -0.16 0.00 -0.27 0.00 0.00 62.75 61.77 3hdu n ILE 146 Cb 0.45 -0.45 -0.07 0.00 -1.74 0.00 0.00 39.64 37.83 3hdu n ILE 146 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hdu s ALA 147 N -2.55 -1.34 0.12 -1.28 0.00 -0.97 -0.18 121.76 115.56 3hdu s ALA 147 Ca -0.09 0.93 0.09 0.00 0.00 0.00 0.00 51.96 52.89 3hdu s ALA 147 Cb 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 3hdu s ALA 147 CO 0.78 -0.32 -0.21 0.14 0.00 0.00 0.00 175.76 176.15 3hdu s VAL 148 N -1.15 1.80 -0.00 0.00 -7.23 -0.53 -0.69 120.40 112.59 3hdu s VAL 148 Ca -0.11 -1.68 -0.07 0.00 -1.81 0.00 0.00 61.98 58.31 3hdu s VAL 148 Cb -0.02 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.23 3hdu s VAL 148 CO 0.07 -0.13 0.13 -0.83 -0.31 0.00 0.00 175.10 174.04 3hdu s GLY 149 N -2.16 0.04 -0.19 2.32 0.00 -0.62 -1.33 107.32 105.38 3hdu s GLY 149 Ca 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.74 3hdu s GLY 149 CO 0.05 -0.21 -0.19 -0.56 0.00 0.00 0.00 173.10 172.19 3hdu s SER 150 N -1.21 3.22 -0.03 1.64 0.01 0.11 0.21 113.70 117.65 3hdu s SER 150 Ca -0.13 -0.70 0.03 0.00 1.31 0.00 0.00 55.95 56.46 3hdu s SER 150 Cb -0.07 -1.48 -0.00 0.00 0.21 0.00 0.00 66.02 64.68 3hdu s SER 150 CO 0.01 -0.02 -0.12 -0.69 0.41 0.00 0.00 173.24 172.84 3hdu s VAL 151 N 1.28 1.00 -0.17 3.43 1.01 0.41 -0.97 120.40 126.39 3hdu s VAL 151 Ca 0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 3hdu s VAL 151 Cb -0.14 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 3hdu s VAL 151 CO -0.12 0.30 -0.08 -0.44 0.00 0.00 0.00 175.10 174.76 3hdu s SER 152 N 0.10 4.23 -0.05 3.32 0.01 -0.04 -0.27 113.70 120.99 3hdu s SER 152 Ca -0.02 -0.33 0.04 0.00 1.31 0.00 0.00 55.95 56.95 3hdu s SER 152 Cb -0.09 -1.69 -0.02 0.00 0.21 0.00 0.00 66.02 64.43 3hdu s SER 152 CO 0.01 0.08 -0.17 -0.31 0.41 0.00 0.00 173.24 173.25 3hdu s TYR 153 N 0.87 2.61 0.20 2.43 1.51 -0.67 -2.98 117.35 121.31 3hdu s TYR 153 Ca -0.02 -0.29 0.06 0.00 -1.01 0.00 0.00 57.07 55.80 3hdu s TYR 153 Cb -0.15 -1.61 -0.05 0.00 -0.11 0.00 0.00 41.96 40.04 3hdu s TYR 153 CO 0.01 0.08 -0.09 0.96 -1.11 0.00 0.00 175.55 175.40 3hdu s ILE 154 N -0.59 1.38 -0.30 2.71 -4.36 -0.23 -1.04 121.20 118.76 3hdu s ILE 154 Ca 0.08 -2.11 -0.13 0.00 -0.26 0.00 0.00 60.65 58.24 3hdu s ILE 154 Cb -0.11 -2.08 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 3hdu s ILE 154 CO 0.01 -0.56 0.26 -0.76 0.24 0.00 0.00 174.94 174.13 3hdu s LEU 155 N -3.28 4.19 0.00 0.37 1.43 -1.23 -0.82 118.68 119.34 3hdu s LEU 155 Ca 0.22 -0.07 0.24 0.00 -1.03 0.00 0.00 54.13 53.50 3hdu s LEU 155 Cb 0.02 -2.21 0.26 0.00 0.03 0.00 0.00 46.19 44.29 3hdu s LEU 155 CO 0.06 -0.16 1.30 0.55 0.23 0.00 0.00 176.35 178.33