#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdu h ASN 7 N 0.00 0.12 -0.07 4.39 4.21 -2.05 0.19 115.58 122.36 3hdu h ASN 7 Ca 0.00 -0.03 -0.08 0.00 1.21 0.00 0.00 56.30 57.39 3hdu h ASN 7 Cb 0.00 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.17 3hdu h ASN 7 CO 0.00 0.41 -0.28 -0.33 -1.29 0.00 0.00 177.43 175.94 3hdu h GLU 8 N 0.11 0.32 -0.25 0.81 5.08 -2.06 -3.16 114.58 115.42 3hdu h GLU 8 Ca 0.02 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 3hdu h GLU 8 Cb 0.57 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3hdu h GLU 8 CO 0.04 0.88 -0.26 0.93 -1.00 0.00 0.00 179.01 179.60 3hdu h GLU 9 N -0.17 0.62 0.00 2.33 4.39 -1.98 -3.21 114.58 116.57 3hdu h GLU 9 Ca -0.01 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.32 3hdu h GLU 9 Cb 0.92 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.57 3hdu h GLU 9 CO 0.06 0.93 -0.15 -0.24 -1.16 0.00 0.00 179.01 178.45 3hdu h VAL 10 N 0.34 0.63 0.16 3.13 3.04 -0.76 -2.08 116.25 120.72 3hdu h VAL 10 Ca 0.04 -0.64 -0.01 0.00 -1.01 0.00 0.00 66.70 65.08 3hdu h VAL 10 Cb 0.82 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 3hdu h VAL 10 CO 0.06 0.15 -0.08 0.25 -1.01 0.00 0.00 177.57 176.94 3hdu h LEU 11 N 0.00 -0.19 -0.33 3.16 5.85 -1.55 -0.97 115.31 121.29 3hdu h LEU 11 Ca -0.00 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.49 3hdu h LEU 11 Cb 0.40 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3hdu h LEU 11 CO 0.02 0.20 0.08 0.15 -0.34 0.00 0.00 178.44 178.54 3hdu h PHE 12 N -0.60 0.13 -0.32 1.25 3.57 -1.52 -0.11 116.94 119.33 3hdu h PHE 12 Ca -0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3hdu h PHE 12 Cb 0.45 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3hdu h PHE 12 CO 0.04 0.03 0.11 0.77 -2.23 0.00 0.00 178.31 177.04 3hdu h SER 13 N 0.20 0.45 -0.53 0.41 0.02 -1.43 -1.02 113.55 111.65 3hdu h SER 13 Ca 0.15 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3hdu h SER 13 Cb 0.16 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3hdu h SER 13 CO -0.19 0.52 0.19 0.00 -1.14 0.00 0.00 176.83 176.21 3hdu h ALA 14 N 0.95 0.69 -0.30 3.77 0.00 -0.98 -2.37 119.26 121.01 3hdu h ALA 14 Ca 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3hdu h ALA 14 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hdu h ALA 14 CO -0.01 0.32 0.06 0.28 0.00 0.00 0.00 179.25 179.90 3hdu h VAL 15 N 0.72 1.23 -0.65 0.00 2.07 -0.97 -3.01 116.25 115.65 3hdu h VAL 15 Ca 0.17 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.92 3hdu h VAL 15 Cb 0.23 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3hdu h VAL 15 CO -0.01 0.26 0.43 0.78 0.02 0.00 0.00 177.57 179.05 3hdu h ASN 16 N 0.33 0.74 -0.64 0.57 4.21 -1.11 -1.95 115.58 117.74 3hdu h ASN 16 Ca 0.09 -0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.61 3hdu h ASN 16 Cb 0.33 -0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 37.30 3hdu h ASN 16 CO 0.00 0.54 0.40 -0.33 -1.29 0.00 0.00 177.43 176.75 3hdu h GLU 17 N 0.88 0.76 0.06 0.81 3.07 -1.43 0.24 114.58 118.96 3hdu h GLU 17 Ca 0.24 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.05 3hdu h GLU 17 Cb -0.10 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.64 3hdu h GLU 17 CO -0.05 0.50 -0.03 0.82 -1.40 0.00 0.00 179.01 178.85 3hdu h ILE 18 N 0.78 1.12 0.02 3.13 2.04 -1.37 0.19 117.51 123.43 3hdu h ILE 18 Ca 0.25 -0.59 -0.18 0.00 1.00 0.00 0.00 64.86 65.34 3hdu h ILE 18 Cb 0.00 1.51 0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3hdu h ILE 18 CO -0.10 0.15 -0.73 -0.26 0.00 0.00 0.00 178.15 177.21 3hdu h PHE 19 N -0.34 0.69 0.00 1.37 -1.00 -1.29 -3.21 116.94 113.16 3hdu h PHE 19 Ca -0.01 -0.39 0.00 0.00 2.81 0.00 0.00 57.97 60.38 3hdu h PHE 19 Cb 0.30 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.79 3hdu h PHE 19 CO 0.01 1.22 -0.25 0.93 -1.61 0.00 0.00 178.31 178.62 3hdu h GLU 20 N -0.05 0.00 0.17 1.51 5.08 -0.65 -3.39 114.58 117.26 3hdu h GLU 20 Ca -0.10 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.94 3hdu h GLU 20 Cb 1.44 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.70 3hdu h GLU 20 CO 0.14 0.00 -1.56 0.93 -1.00 0.00 0.00 179.01 177.52 3hdu h GLU 21 N -0.94 0.37 -0.45 2.33 3.07 -1.58 -3.39 114.58 113.99 3hdu h GLU 21 Ca 0.00 -0.63 -0.14 0.00 -0.50 0.00 0.00 59.36 58.09 3hdu h GLU 21 Cb 0.25 0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 3hdu h GLU 21 CO 0.00 1.27 -0.28 0.87 -1.40 0.00 0.00 179.01 179.46 3hdu h LYS 22 N 0.10 0.97 -6.56 2.33 6.56 -0.70 -3.45 116.57 115.83 3hdu h LYS 22 Ca -0.27 -0.45 -0.55 0.00 -1.06 0.00 0.00 60.65 58.32 3hdu h LYS 22 Cb 2.08 -0.01 0.05 0.00 -0.57 0.00 0.00 32.23 33.78 3hdu h LYS 22 CO 0.20 1.12 0.94 -0.89 -2.06 0.00 0.00 179.45 178.76 3hdu n ILE 23 N -4.09 0.08 0.22 1.86 5.41 -1.21 -4.93 119.36 116.69 3hdu n ILE 23 Ca -0.01 -0.01 0.12 0.00 1.00 0.00 0.00 62.75 63.85 3hdu n ILE 23 Cb 0.49 -1.82 0.16 0.00 -0.71 0.00 0.00 39.64 37.76 3hdu n ILE 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3hdu h PRO 24 N 6.78 0.00 0.00 0.38 0.13 -1.95 -3.22 132.00 134.12 3hdu h PRO 24 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3hdu h PRO 24 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3hdu h PRO 24 CO 0.93 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.89 3hdu n PHE 25 N -3.03 0.00 -0.51 1.56 3.01 -1.26 -3.99 117.46 113.23 3hdu n PHE 25 Ca 0.04 0.00 0.43 0.00 1.01 0.00 0.00 57.45 58.92 3hdu n PHE 25 Cb 0.53 -0.40 0.71 0.00 -0.01 0.00 0.00 39.48 40.30 3hdu n PHE 25 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 3hdu n ASN 26 N -1.40 0.18 -0.05 4.37 2.04 -1.22 0.08 115.26 119.25 3hdu n ASN 26 Ca 0.04 1.34 -0.07 0.00 -0.44 0.00 0.00 54.58 55.45 3hdu n ASN 26 Cb 0.12 -0.66 0.11 0.00 -2.53 0.00 0.00 39.78 36.82 3hdu n ASN 26 CO 0.00 0.00 0.00 0.07 -0.44 0.00 0.00 177.26 176.89 3hdu h LYS 27 N 0.00 0.68 0.00 -3.83 2.10 -1.89 -3.36 116.57 110.27 3hdu h LYS 27 Ca 0.90 -0.28 -0.01 0.00 -2.00 0.00 0.00 60.65 59.25 3hdu h LYS 27 Cb 3.01 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 34.31 3hdu h LYS 27 CO -0.40 0.87 -0.13 -0.84 -2.00 0.00 0.00 179.45 176.95 3hdu h ILE 28 N 0.59 0.44 -3.21 0.07 -2.65 -0.66 -3.44 117.51 108.65 3hdu h ILE 28 Ca 0.08 -1.35 -0.56 0.00 1.03 0.00 0.00 64.86 64.06 3hdu h ILE 28 Cb 0.75 0.86 -0.36 0.00 -2.05 0.00 0.00 36.82 36.02 3hdu h ILE 28 CO 0.06 0.15 -0.82 -0.63 0.03 0.00 0.00 178.15 176.94 3hdu s ILE 29 N -1.83 1.27 0.54 0.16 1.01 0.15 -1.99 121.20 120.50 3hdu s ILE 29 Ca -0.08 -0.46 -0.17 0.00 0.00 0.00 0.00 60.65 59.94 3hdu s ILE 29 Cb -0.00 -1.21 -0.07 0.00 0.01 0.00 0.00 42.46 41.19 3hdu s ILE 29 CO 0.21 0.40 1.01 -0.83 0.00 0.00 0.00 174.94 175.74 3hdu s GLY 30 N 1.39 2.13 -0.16 6.18 0.00 0.10 -3.69 107.32 113.27 3hdu s GLY 30 Ca 0.00 0.29 -0.07 0.00 0.00 0.00 0.00 44.72 44.94 3hdu s GLY 30 CO -0.06 0.58 0.37 -2.27 0.00 0.00 0.00 173.10 171.72 3hdu s LEU 31 N -4.14 -0.22 -0.05 0.66 0.20 -1.26 -2.68 118.68 111.19 3hdu s LEU 31 Ca 0.61 0.82 0.02 0.00 0.69 0.00 0.00 54.13 56.27 3hdu s LEU 31 Cb -0.12 1.16 0.01 0.00 -0.43 0.00 0.00 46.19 46.80 3hdu s LEU 31 CO 0.32 -0.21 -0.09 -0.54 -0.29 0.00 0.00 176.35 175.54 3hdu s LYS 32 N 1.90 1.21 -0.40 1.98 3.01 -0.64 -4.41 119.74 122.40 3hdu s LYS 32 Ca -0.05 -0.29 -0.26 0.00 -1.01 0.00 0.00 55.97 54.35 3hdu s LYS 32 Cb -0.10 -1.08 0.02 0.00 -1.01 0.00 0.00 37.83 35.66 3hdu s LYS 32 CO -0.11 0.03 0.96 0.08 0.51 0.00 0.00 175.35 176.82 3hdu s VAL 33 N 0.56 4.50 -0.11 3.17 1.01 -1.26 -1.43 120.40 126.85 3hdu s VAL 33 Ca -0.10 1.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.86 3hdu s VAL 33 Cb -0.13 -4.40 -0.27 0.00 0.00 0.00 0.00 36.38 31.58 3hdu s VAL 33 CO 0.02 -0.67 0.50 0.03 0.00 0.00 0.00 175.10 174.97 3hdu h ARG 34 N 8.71 0.26 -2.98 2.72 2.47 -1.54 -3.49 114.38 120.52 3hdu h ARG 34 Ca -0.23 -0.44 -0.14 0.00 -1.26 0.00 0.00 59.98 57.91 3hdu h ARG 34 Cb 1.07 0.16 -0.24 0.00 -1.65 0.00 0.00 29.97 29.32 3hdu h ARG 34 CO 1.01 1.21 -0.32 0.12 0.56 0.00 0.00 179.97 182.55 3hdu s PHE 35 N -2.51 -0.31 0.01 3.04 5.36 -1.09 -4.99 117.98 117.50 3hdu s PHE 35 Ca -0.21 0.70 -0.00 0.00 -0.96 0.00 0.00 56.93 56.46 3hdu s PHE 35 Cb 0.05 0.11 -0.01 0.00 -0.34 0.00 0.00 43.02 42.83 3hdu s PHE 35 CO 0.77 -0.23 -0.01 0.96 -1.46 0.00 0.00 175.22 175.25 3hdu s ILE 36 N -0.23 0.07 0.09 3.12 -4.36 -1.26 -1.00 121.20 117.62 3hdu s ILE 36 Ca -0.04 -0.54 -0.26 0.00 -0.26 0.00 0.00 60.65 59.55 3hdu s ILE 36 Cb -0.03 -0.17 0.08 0.00 1.25 0.00 0.00 42.46 43.58 3hdu s ILE 36 CO 0.01 -0.30 0.89 -0.94 0.24 0.00 0.00 174.94 174.84 3hdu s SER 37 N -0.88 -0.29 0.55 4.36 1.04 0.08 -4.97 113.70 113.59 3hdu s SER 37 Ca -0.10 -0.20 0.24 0.00 0.48 0.00 0.00 55.95 56.37 3hdu s SER 37 Cb -0.06 0.46 1.56 0.00 0.10 0.00 0.00 66.02 68.08 3hdu s SER 37 CO -0.01 -0.80 2.19 -0.65 0.98 0.00 0.00 173.24 174.95 3hdu h PRO 38 N 2.00 0.00 0.00 4.02 0.11 -1.99 -3.22 132.00 132.92 3hdu h PRO 38 Ca -0.24 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.66 3hdu h PRO 38 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 3hdu h PRO 38 CO 0.29 0.03 -2.02 0.39 -0.21 0.00 0.00 178.00 176.47 3hdu n GLU 39 N -4.08 1.11 -4.00 1.05 1.02 -1.26 -3.83 120.64 110.64 3hdu n GLU 39 Ca -0.03 -0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 56.95 3hdu n GLU 39 Cb 0.11 -1.42 -0.12 0.00 -0.02 0.00 0.00 31.44 30.00 3hdu n GLU 39 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3hdu s GLN 40 N -2.64 0.33 0.04 3.49 0.74 -1.22 -0.45 119.66 119.96 3hdu s GLN 40 Ca -0.08 -0.51 -0.05 0.00 0.05 0.00 0.00 55.36 54.78 3hdu s GLN 40 Cb 0.07 -0.08 -0.01 0.00 1.10 0.00 0.00 33.01 34.09 3hdu s GLN 40 CO 0.68 0.00 0.07 0.14 -0.55 0.00 0.00 175.29 175.64 3hdu s VAL 41 N -1.06 0.14 -0.07 1.34 -7.23 -0.49 -0.74 120.40 112.29 3hdu s VAL 41 Ca -0.10 -1.13 -0.03 0.00 -1.81 0.00 0.00 61.98 58.92 3hdu s VAL 41 Cb -0.08 -0.88 0.04 0.00 0.56 0.00 0.00 36.38 36.03 3hdu s VAL 41 CO -0.00 -0.62 0.14 -0.75 -0.31 0.00 0.00 175.10 173.55 3hdu s LYS 42 N -2.59 0.04 -0.04 4.82 2.20 -0.17 -0.63 119.74 123.37 3hdu s LYS 42 Ca -0.05 0.44 0.07 0.00 -0.36 0.00 0.00 55.97 56.07 3hdu s LYS 42 Cb -0.01 -0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.04 3hdu s LYS 42 CO -0.05 -0.24 -0.25 -0.51 -0.36 0.00 0.00 175.35 173.94 3hdu s LEU 43 N 1.74 2.07 -0.04 5.43 1.43 -0.24 -1.25 118.68 127.82 3hdu s LEU 43 Ca -0.03 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 3hdu s LEU 43 Cb -0.12 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 3hdu s LEU 43 CO -0.05 0.28 -0.01 -0.94 0.23 0.00 0.00 176.35 175.86 3hdu s SER 44 N -0.38 5.12 0.23 2.29 1.04 -0.52 -0.53 113.70 120.95 3hdu s SER 44 Ca 0.03 0.05 0.09 0.00 0.48 0.00 0.00 55.95 56.60 3hdu s SER 44 Cb -0.12 -1.38 -0.05 0.00 0.10 0.00 0.00 66.02 64.58 3hdu s SER 44 CO 0.01 0.33 -0.15 -0.36 0.98 0.00 0.00 173.24 174.05 3hdu s PHE 45 N -0.98 1.87 0.00 5.02 0.40 0.79 -1.61 117.98 123.47 3hdu s PHE 45 Ca 0.16 -0.53 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 3hdu s PHE 45 Cb -0.11 -0.87 0.00 0.00 0.51 0.00 0.00 43.02 42.55 3hdu s PHE 45 CO 0.06 0.44 0.00 -1.91 0.70 0.00 0.00 175.22 174.51 3hdu n GLU 46 N -0.46 0.00 0.00 0.44 2.13 -1.09 -2.43 120.64 119.23 3hdu n GLU 46 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 3hdu n GLU 46 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.32 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 0.00 -3.94 5.31 1.74 -0.84 -0.72 116.66 118.20 3hdu n ARG 48 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 3hdu n ARG 48 Cb 0.00 -0.35 -0.13 0.00 -1.02 0.00 0.00 32.46 30.96 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 -2.15 4.83 0.46 0.55 2.15 -1.24 -5.01 116.67 116.25 3hdu s ASP 49 Ca 0.00 -0.23 0.23 0.00 0.43 0.00 0.00 52.55 52.98 3hdu s ASP 49 Cb 0.00 -1.84 1.08 0.00 -0.30 0.00 0.00 42.92 41.86 3hdu s ASP 49 CO 0.00 0.02 1.92 1.05 -0.17 0.00 0.00 175.17 177.99 3hdu h GLU 50 N 7.82 0.00 -1.73 4.34 4.11 -1.99 -3.47 114.58 123.65 3hdu h GLU 50 Ca -0.38 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.77 3hdu h GLU 50 Cb 1.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 3hdu h GLU 50 CO 0.60 0.22 -0.34 1.28 0.07 0.00 0.00 179.01 180.84 3hdu n LEU 51 N -3.61 -1.52 -4.60 3.06 4.77 -1.26 -4.97 117.00 108.88 3hdu n LEU 51 Ca -0.01 0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.61 3hdu n LEU 51 Cb 0.36 -2.16 -0.02 0.00 -2.33 0.00 0.00 43.42 39.27 3hdu n LEU 51 CO 0.33 -0.28 1.31 -0.63 -1.33 0.00 0.00 177.39 176.79 3hdu s ILE 52 N -2.67 3.80 0.00 -0.08 -1.09 -1.26 -2.59 121.20 117.31 3hdu s ILE 52 Ca 0.00 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 3hdu s ILE 52 Cb 0.00 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 3hdu s ILE 52 CO 0.00 -0.62 0.00 0.61 -1.23 0.00 0.00 174.94 173.70 3hdu n GLY 53 N 5.09 1.79 3.72 6.18 0.00 -1.26 -5.11 105.19 115.59 3hdu n GLY 53 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 7.16 0.49 1.61 3.84 -1.07 -4.95 114.94 120.02 3hdu s ASN 54 Ca 0.00 1.97 0.23 0.00 0.21 0.00 0.00 52.86 55.28 3hdu s ASN 54 Cb 0.00 -2.58 1.26 0.00 -0.55 0.00 0.00 41.25 39.38 3hdu s ASN 54 CO 0.00 -0.39 2.01 0.00 -2.79 0.00 0.00 177.10 175.94 3hdu h ALA 55 N 6.46 1.34 -1.45 1.71 0.00 -1.99 -3.15 119.26 122.18 3hdu h ALA 55 Ca -0.42 -0.15 -0.62 0.00 0.00 0.00 0.00 54.91 53.71 3hdu h ALA 55 Cb 1.21 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.59 3hdu h ALA 55 CO 0.78 0.21 -0.38 0.44 0.00 0.00 0.00 179.25 180.30 3hdu n ILE 56 N -3.78 2.65 0.14 0.00 -5.35 -1.26 -4.86 119.36 106.91 3hdu n ILE 56 Ca -0.02 -4.85 -0.13 0.00 -0.27 0.00 0.00 62.75 57.47 3hdu n ILE 56 Cb 0.27 -1.27 -0.08 0.00 -1.74 0.00 0.00 39.64 36.82 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 2.69 -0.34 -0.91 6.28 2.43 -1.89 -1.91 114.38 120.72 3hdu h ARG 57 Ca 0.35 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 3hdu h ARG 57 Cb 0.73 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3hdu h ARG 57 CO 0.96 -0.03 0.00 0.54 -1.51 0.00 0.00 179.97 179.93 3hdu n ARG 58 N -5.11 0.00 0.00 0.20 1.74 -1.26 -1.39 116.66 110.83 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 0.25 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 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 0.68 0.00 -0.03 0.55 4.77 -0.72 -2.15 117.00 120.09 3hdu n LEU 60 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3hdu n LEU 60 Cb 0.00 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.46 3hdu n LEU 60 CO 0.00 0.00 1.12 1.88 -1.33 0.00 0.00 177.39 179.06 3hdu h TYR 61 N 0.00 0.59 -0.95 -1.77 -1.99 -1.51 -2.31 116.97 109.02 3hdu h TYR 61 Ca 0.00 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.76 3hdu h TYR 61 Cb 0.00 -0.19 -0.06 0.00 2.00 0.00 0.00 36.73 38.48 3hdu h TYR 61 CO 0.00 0.41 0.62 0.78 -0.00 0.00 0.00 178.16 179.97 3hdu h GLY 62 N 0.69 1.39 1.11 3.88 0.00 -1.71 0.09 103.07 108.50 3hdu h GLY 62 Ca 0.16 -0.47 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 3hdu h GLY 62 CO -0.03 0.41 -0.33 -1.33 0.00 0.00 0.00 176.54 175.25 3hdu h GLY 63 N 1.20 1.01 0.96 4.60 0.00 -1.78 -2.28 103.07 106.78 3hdu h GLY 63 Ca 0.38 -1.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 3hdu h GLY 63 CO -0.12 0.91 0.17 -2.08 0.00 0.00 0.00 176.54 175.41 3hdu h VAL 64 N 0.75 1.13 -0.34 4.60 2.07 -1.06 -1.55 116.25 121.85 3hdu h VAL 64 Ca 0.07 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 3hdu h VAL 64 Cb 0.92 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3hdu h VAL 64 CO 0.09 0.13 0.20 0.40 0.02 0.00 0.00 177.57 178.41 3hdu h ILE 65 N 0.38 1.11 -0.76 4.57 2.04 -1.01 -0.60 117.51 123.24 3hdu h ILE 65 Ca 0.11 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 3hdu h ILE 65 Cb 0.06 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3hdu h ILE 65 CO -0.02 0.11 0.31 0.77 0.00 0.00 0.00 178.15 179.33 3hdu h SER 66 N 0.44 1.03 -0.43 1.72 4.64 -1.31 -1.02 113.55 118.63 3hdu h SER 66 Ca 0.12 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.22 3hdu h SER 66 Cb 0.00 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 3hdu h SER 66 CO -0.02 0.91 0.01 0.28 -0.87 0.00 0.00 176.83 177.13 3hdu h SER 67 N 1.10 0.74 -0.49 4.97 0.02 -1.11 -1.11 113.55 117.67 3hdu h SER 67 Ca 0.26 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3hdu h SER 67 Cb 0.19 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3hdu h SER 67 CO -0.02 0.86 0.29 0.00 -1.14 0.00 0.00 176.83 176.82 3hdu h ALA 68 N 0.90 0.62 -0.45 3.77 0.00 -0.89 -2.87 119.26 120.35 3hdu h ALA 68 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hdu h ALA 68 Cb 0.48 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hdu h ALA 68 CO 0.02 0.11 0.25 0.82 0.00 0.00 0.00 179.25 180.45 3hdu h ILE 69 N 0.65 1.16 0.00 0.00 2.04 -1.13 -1.36 117.51 118.86 3hdu h ILE 69 Ca 0.17 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3hdu h ILE 69 Cb -0.00 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3hdu h ILE 69 CO -0.03 0.17 0.00 -0.67 0.00 0.00 0.00 178.15 177.61 3hdu n ASP 70 N -4.70 0.43 0.00 1.72 2.03 -0.43 -1.27 116.55 114.33 3hdu n ASP 70 Ca 0.01 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.79 3hdu n ASP 70 Cb 0.08 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.52 0.00 -0.31 5.18 -1.04 -0.51 -0.98 114.28 117.14 3hdu n THR 72 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 3hdu n THR 72 Cb 0.09 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.67 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 1.07 -0.89 2.41 0.00 -1.44 -0.96 119.26 119.46 3hdu h ALA 73 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hdu h ALA 73 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 3hdu h ALA 73 CO 0.00 0.59 0.51 0.78 0.00 0.00 0.00 179.25 181.13 3hdu h GLY 74 N 1.16 1.31 1.03 0.00 0.00 -1.31 0.36 103.07 105.62 3hdu h GLY 74 Ca 0.29 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 3hdu h GLY 74 CO -0.05 0.55 -0.16 -2.00 0.00 0.00 0.00 176.54 174.88 3hdu h LEU 75 N 1.24 0.87 -0.72 3.11 5.85 -1.77 -2.00 115.31 121.89 3hdu h LEU 75 Ca 0.32 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 3hdu h LEU 75 Cb -0.01 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3hdu h LEU 75 CO -0.05 1.06 0.18 0.00 -0.34 0.00 0.00 178.44 179.29 3hdu h ALA 76 N 0.84 0.94 -0.30 1.25 0.00 -0.69 -2.96 119.26 118.33 3hdu h ALA 76 Ca 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3hdu h ALA 76 Cb 0.72 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hdu h ALA 76 CO 0.05 0.67 0.17 0.00 0.00 0.00 0.00 179.25 180.14 3hdu h ALA 77 N 1.09 0.39 0.00 0.00 0.00 -0.29 -2.42 119.26 118.03 3hdu h ALA 77 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hdu h ALA 77 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hdu h ALA 77 CO 0.00 -0.08 0.00 0.34 0.00 0.00 0.00 179.25 179.51 3hdu n PHE 78 N -4.81 0.00 0.00 0.00 7.35 -0.76 -1.43 117.46 117.81 3hdu n PHE 78 Ca -0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 3hdu n PHE 78 Cb 0.08 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 39.90 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 0.43 0.00 0.23 7.13 0.00 -0.91 -1.28 105.19 110.78 3hdu n GLY 80 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.90 0.00 1.61 0.04 -1.53 -3.19 116.94 114.77 3hdu h PHE 81 Ca 0.00 -0.26 -0.03 0.00 2.80 0.00 0.00 57.97 60.49 3hdu h PHE 81 Cb 0.00 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 37.95 3hdu h PHE 81 CO 0.00 1.01 -0.13 -0.56 -0.60 0.00 0.00 178.31 178.04 3hdu h GLN 82 N 0.53 0.00 -0.68 1.51 -0.00 -1.45 -2.61 115.11 112.42 3hdu h GLN 82 Ca 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.64 3hdu h GLN 82 Cb 0.84 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.29 3hdu h GLN 82 CO 0.07 0.13 0.16 1.49 -0.00 0.00 0.00 178.83 180.68 3hdu h GLU 83 N 0.00 1.09 -3.53 0.06 4.57 -1.80 -3.39 114.58 111.58 3hdu h GLU 83 Ca -0.00 -0.27 -0.31 0.00 -1.18 0.00 0.00 59.36 57.60 3hdu h GLU 83 Cb 0.45 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3hdu h GLU 83 CO 0.02 0.97 2.33 1.63 -1.18 0.00 0.00 179.01 182.78 3hdu n LYS 84 N -4.26 1.73 0.00 1.92 5.02 -0.99 -5.00 118.16 116.58 3hdu n LYS 84 Ca 0.05 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.05 3hdu n LYS 84 Cb 0.26 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 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 4.33 0.00 -0.04 4.39 3.41 -1.26 -5.02 113.62 119.43 3hdu n SER 86 Ca 0.37 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 59.12 3hdu n SER 86 Cb 0.11 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 64.74 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 0.00 -1.19 3.88 5.00 0.00 -1.26 -4.93 105.19 106.68 3hdu n GLY 87 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.59 3.68 0.00 1.61 -0.14 -1.26 -5.22 119.74 115.82 3hdu s LYS 88 Ca 0.27 0.59 0.00 0.00 -1.36 0.00 0.00 55.97 55.47 3hdu s LYS 88 Cb 0.20 -2.23 0.00 0.00 -1.68 0.00 0.00 37.83 34.12 3hdu s LYS 88 CO 0.48 -0.32 0.00 -0.35 -0.76 0.00 0.00 175.35 174.40 3hdu n PRO 89 N -2.14 0.00 0.00 -1.68 -0.04 -1.26 -4.97 135.00 124.92 3hdu n PRO 89 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3hdu n PRO 89 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 3hdu n PRO 89 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hdu n GLU 91 N 0.00 0.00 0.02 0.54 4.71 -1.26 -2.80 120.64 121.85 3hdu n GLU 91 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.02 3hdu n GLU 91 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.42 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 0.57 -0.23 3.49 5.08 -1.98 -2.29 114.58 119.21 3hdu h GLU 92 Ca 0.00 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 3hdu h GLU 92 Cb 0.00 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3hdu h GLU 92 CO 0.00 1.08 0.09 0.87 -1.00 0.00 0.00 179.01 180.05 3hdu h LYS 93 N 0.39 0.33 -0.26 2.33 1.57 -1.89 -3.01 116.57 116.03 3hdu h LYS 93 Ca -0.03 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3hdu h LYS 93 Cb 1.32 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 3hdu h LYS 93 CO 0.14 0.38 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.18 3hdu h LEU 94 N 0.21 0.43 -3.08 2.94 4.07 -1.87 -3.17 115.31 114.85 3hdu h LEU 94 Ca 0.08 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3hdu h LEU 94 Cb 0.17 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.79 3hdu h LEU 94 CO -0.01 0.61 0.00 0.00 -1.08 0.00 0.00 178.44 177.97 3hdu n ALA 95 N -2.48 2.18 0.00 1.53 0.00 -0.86 -4.18 120.51 116.69 3hdu n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hdu n ALA 95 Cb 0.33 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.48 0.00 0.23 0.00 3.06 -1.20 -4.06 119.36 118.88 3hdu n ILE 97 Ca 0.00 0.00 0.10 0.00 -2.50 0.00 0.00 62.75 60.35 3hdu n ILE 97 Cb 0.17 0.00 0.57 0.00 0.54 0.00 0.00 39.64 40.92 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 1.96 4.50 0.00 -1.92 -3.10 103.07 104.51 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 -0.03 0.54 0.00 0.00 0.00 176.54 177.05 3hdu n ARG 99 N -3.61 0.25 -2.16 4.80 1.74 -1.26 -4.88 116.66 111.54 3hdu n ARG 99 Ca -0.01 0.20 -0.42 0.00 -0.77 0.00 0.00 57.85 56.85 3hdu n ARG 99 Cb 0.34 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 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 -4.46 4.34 0.00 0.55 1.43 -1.17 -0.23 118.68 119.13 3hdu s LEU 100 Ca 0.11 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 3hdu s LEU 100 Cb 0.13 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.78 3hdu s LEU 100 CO 0.60 -0.73 -0.00 -0.55 0.23 0.00 0.00 176.35 175.89 3hdu s SER 101 N 1.81 0.04 0.94 2.29 0.15 -0.66 -4.94 113.70 113.33 3hdu s SER 101 Ca 0.66 -0.02 -0.14 0.00 0.70 0.00 0.00 55.95 57.15 3hdu s SER 101 Cb -0.34 -0.00 0.16 0.00 -1.71 0.00 0.00 66.02 64.13 3hdu s SER 101 CO 0.28 -0.01 1.18 -0.89 1.20 0.00 0.00 173.24 175.01 3hdu s THR 102 N -0.05 1.95 0.23 6.45 2.01 -1.26 -1.31 115.64 123.65 3hdu s THR 102 Ca -0.00 0.00 -0.32 0.00 0.31 0.00 0.00 61.69 61.68 3hdu s THR 102 Cb -0.00 -2.82 -0.12 0.00 0.01 0.00 0.00 72.50 69.57 3hdu s THR 102 CO -0.00 0.00 1.62 -0.24 -0.69 0.00 0.00 174.62 175.31 3hdu n SER 104 N -3.81 3.63 -3.90 3.53 2.88 -1.11 -4.92 113.62 109.92 3hdu n SER 104 Ca 0.09 1.10 -0.29 0.00 -1.33 0.00 0.00 58.87 58.44 3hdu n SER 104 Cb 0.60 -1.53 -0.16 0.00 -0.75 0.00 0.00 64.21 62.36 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 0.54 2.05 -0.24 2.46 2.96 -1.26 -0.52 118.68 124.68 3hdu s LEU 105 Ca 0.72 -0.94 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 3hdu s LEU 105 Cb -0.56 -1.02 0.04 0.00 0.50 0.00 0.00 46.19 45.15 3hdu s LEU 105 CO 0.40 -0.22 -0.10 -1.00 -1.32 0.00 0.00 176.35 174.11 3hdu s HIS 106 N 1.53 3.08 -0.07 5.38 3.76 0.25 -5.01 115.29 124.21 3hdu s HIS 106 Ca -0.03 -1.83 0.05 0.00 -0.15 0.00 0.00 55.06 53.10 3hdu s HIS 106 Cb -0.17 -2.00 -0.00 0.00 1.11 0.00 0.00 32.58 31.52 3hdu s HIS 106 CO -0.07 -0.80 -0.22 0.08 -0.85 0.00 0.00 174.74 172.88 3hdu s VAL 107 N 1.24 1.85 -0.14 -0.90 1.01 -1.26 -0.50 120.40 121.69 3hdu s VAL 107 Ca -0.02 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.04 3hdu s VAL 107 Cb -0.17 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.62 3hdu s VAL 107 CO -0.06 0.52 -0.17 -1.61 0.00 0.00 0.00 175.10 173.78 3hdu s GLU 108 N 0.08 3.19 -0.19 2.72 0.41 -0.24 -5.01 118.70 119.67 3hdu s GLU 108 Ca -0.09 -0.77 -0.08 0.00 -0.41 0.00 0.00 54.97 53.63 3hdu s GLU 108 Cb -0.15 -2.57 -0.04 0.00 -1.78 0.00 0.00 34.13 29.59 3hdu s GLU 108 CO 0.05 0.05 0.07 0.71 -0.49 0.00 0.00 175.26 175.65 3hdu s TYR 109 N 0.72 3.27 -0.14 1.61 1.51 -1.26 -1.59 117.35 121.46 3hdu s TYR 109 Ca -0.07 0.09 -0.11 0.00 -1.01 0.00 0.00 57.07 55.97 3hdu s TYR 109 Cb -0.16 -2.10 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 3hdu s TYR 109 CO 0.01 0.15 -0.21 1.28 -1.11 0.00 0.00 175.55 175.67 3hdu n LEU 110 N 3.59 1.68 -3.89 -1.29 4.77 0.06 -4.99 117.00 116.94 3hdu n LEU 110 Ca -0.16 0.50 -0.12 0.00 -0.03 0.00 0.00 56.01 56.19 3hdu n LEU 110 Cb 0.52 -0.80 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 3hdu n LEU 110 CO 0.35 -0.42 -0.37 0.00 -1.33 0.00 0.00 177.39 175.63 3hdu s ARG 111 N -2.33 0.07 -0.35 3.23 1.70 -1.23 -5.08 118.95 114.95 3hdu s ARG 111 Ca -0.18 -0.04 -0.28 0.00 -0.47 0.00 0.00 55.73 54.75 3hdu s ARG 111 Cb 0.02 -0.05 -0.01 0.00 -0.57 0.00 0.00 34.95 34.34 3hdu s ARG 111 CO 0.26 0.01 1.69 -2.14 -1.08 0.00 0.00 175.30 174.05 3hdu s PRO 112 N -0.06 3.41 -0.87 3.89 0.02 -1.26 -4.75 135.00 135.38 3hdu s PRO 112 Ca -0.00 1.31 0.01 0.00 0.02 0.00 0.00 61.00 62.34 3hdu s PRO 112 Cb -0.01 -4.15 0.33 0.00 0.02 0.00 0.00 34.50 30.69 3hdu s PRO 112 CO -0.00 -1.76 1.51 0.41 -0.33 0.00 0.00 177.00 176.83 3hdu n GLY 113 N 5.32 5.94 3.36 0.52 0.00 -1.26 -4.96 105.19 114.11 3hdu n GLY 113 Ca 0.21 -2.66 -0.36 0.00 0.00 0.00 0.00 46.02 43.21 3hdu n GLY 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hdu n LEU 114 N -0.10 4.00 -4.77 0.99 4.32 -1.26 -4.90 117.00 115.28 3hdu n LEU 114 Ca 0.41 -3.29 -0.23 0.00 -0.02 0.00 0.00 56.01 52.87 3hdu n LEU 114 Cb 0.31 -1.54 -0.06 0.00 -1.62 0.00 0.00 43.42 40.50 3hdu n LEU 114 CO 0.46 -0.82 -0.13 -0.83 -1.22 0.00 0.00 177.39 174.85 3hdu s GLY 115 N 5.39 2.22 0.01 -0.72 0.00 -1.26 -5.07 107.32 107.89 3hdu s GLY 115 Ca 0.61 -2.01 -0.25 0.00 0.00 0.00 0.00 44.72 43.07 3hdu s GLY 115 CO 0.10 -1.84 1.16 3.21 0.00 0.00 0.00 173.10 175.74 3hdu h ARG 116 N 1.36 -0.59 -6.25 2.90 -0.00 -1.97 -3.45 114.38 106.37 3hdu h ARG 116 Ca -0.43 0.04 -0.68 0.00 -0.50 0.00 0.00 59.98 58.42 3hdu h ARG 116 Cb 1.26 0.14 -0.18 0.00 0.00 0.00 0.00 29.97 31.18 3hdu h ARG 116 CO 0.66 -0.29 -0.70 -1.21 0.00 0.00 0.00 179.97 178.43 3hdu s GLU 117 N -4.62 2.61 0.00 0.04 2.02 -1.26 -4.30 118.70 113.20 3hdu s GLU 117 Ca -0.14 -0.67 -0.18 0.00 0.02 0.00 0.00 54.97 54.00 3hdu s GLU 117 Cb 0.02 -2.53 0.03 0.00 0.10 0.00 0.00 34.13 31.75 3hdu s GLU 117 CO 0.49 0.62 0.39 -0.59 0.02 0.00 0.00 175.26 176.19 3hdu s PHE 118 N -0.95 -0.26 0.06 1.61 -0.12 -1.02 -2.74 117.98 114.56 3hdu s PHE 118 Ca 0.16 0.34 0.09 0.00 -0.05 0.00 0.00 56.93 57.47 3hdu s PHE 118 Cb -0.11 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.43 3hdu s PHE 118 CO 0.06 -0.49 -0.24 0.54 -0.05 0.00 0.00 175.22 175.04 3hdu s VAL 119 N -1.78 1.94 -0.09 -2.49 0.11 -1.26 -0.14 120.40 116.68 3hdu s VAL 119 Ca -0.10 -1.38 0.01 0.00 -2.93 0.00 0.00 61.98 57.58 3hdu s VAL 119 Cb -0.03 -1.69 0.02 0.00 -1.53 0.00 0.00 36.38 33.16 3hdu s VAL 119 CO 0.02 0.23 -0.10 0.00 -3.33 0.00 0.00 175.10 171.93 3hdu s THR 121 N 1.20 4.11 -0.14 0.00 2.01 0.03 -1.08 115.64 121.77 3hdu s THR 121 Ca -0.05 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.67 3hdu s THR 121 Cb -0.14 -2.74 0.01 0.00 0.01 0.00 0.00 72.50 69.64 3hdu s THR 121 CO -0.03 0.57 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.44 3hdu s GLY 122 N -0.47 1.30 -0.20 4.40 0.00 0.20 -0.94 107.32 111.61 3hdu s GLY 122 Ca 0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 43.72 3hdu s GLY 122 CO 0.02 0.06 -0.02 -0.19 0.00 0.00 0.00 173.10 172.97 3hdu s TYR 123 N 0.90 2.99 -0.76 1.90 2.02 0.13 -1.39 117.35 123.15 3hdu s TYR 123 Ca -0.06 -0.62 -0.27 0.00 -0.37 0.00 0.00 57.07 55.76 3hdu s TYR 123 Cb -0.15 -2.07 0.03 0.00 -0.40 0.00 0.00 41.96 39.37 3hdu s TYR 123 CO -0.03 -0.33 1.31 1.21 -1.57 0.00 0.00 175.55 176.14 3hdu s ASN 124 N 1.09 6.15 0.04 2.29 3.84 0.40 -0.69 114.94 128.07 3hdu s ASN 124 Ca 0.02 -0.49 -0.23 0.00 0.21 0.00 0.00 52.86 52.37 3hdu s ASN 124 Cb -0.15 -2.56 -0.15 0.00 -0.55 0.00 0.00 41.25 37.85 3hdu s ASN 124 CO 0.01 -1.84 1.48 0.58 -2.79 0.00 0.00 177.10 174.53 3hdu h VAL 125 N 6.12 1.25 -1.73 -5.21 2.07 -1.41 -3.46 116.25 113.86 3hdu h VAL 125 Ca -0.25 -0.77 0.07 0.00 0.82 0.00 0.00 66.70 66.57 3hdu h VAL 125 Cb 1.05 1.59 -0.24 0.00 -1.52 0.00 0.00 31.29 32.16 3hdu h VAL 125 CO 1.29 0.22 0.23 -0.13 0.02 0.00 0.00 177.57 179.20 3hdu s ARG 126 N -5.00 0.53 -0.30 1.57 3.00 -1.14 -5.03 118.95 112.57 3hdu s ARG 126 Ca -0.14 0.90 -0.05 0.00 0.00 0.00 0.00 55.73 56.43 3hdu s ARG 126 Cb 0.05 0.11 0.03 0.00 0.00 0.00 0.00 34.95 35.14 3hdu s ARG 126 CO 0.70 -0.11 0.04 0.99 0.00 0.00 0.00 175.30 176.92 3hdu s THR 127 N 1.41 3.52 0.00 0.02 2.01 -1.26 -1.32 115.64 120.02 3hdu s THR 127 Ca -0.09 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 60.91 3hdu s THR 127 Cb -0.04 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.58 3hdu s THR 127 CO -0.16 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 3hdu n GLY 128 N 4.77 0.16 0.16 4.40 0.00 0.59 -5.00 105.19 110.26 3hdu n GLY 128 Ca -0.14 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 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 0.45 0.00 1.61 -1.24 -2.03 -3.39 115.58 110.98 3hdu h ASN 129 Ca 0.00 -0.36 -0.04 0.00 0.71 0.00 0.00 56.30 56.61 3hdu h ASN 129 Cb 0.00 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 3hdu h ASN 129 CO 0.00 0.71 -1.23 0.29 -1.29 0.00 0.00 177.43 175.91 3hdu n LYS 130 N -4.58 1.77 -4.69 6.67 4.76 -1.26 -5.01 118.16 115.81 3hdu n LYS 130 Ca -0.04 -0.02 -0.33 0.00 -2.87 0.00 0.00 58.31 55.05 3hdu n LYS 130 Cb 0.29 -1.10 -0.12 0.00 -1.84 0.00 0.00 35.03 32.25 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 -2.19 3.46 -0.19 -0.18 1.01 -1.26 -3.33 120.40 117.72 3hdu s VAL 131 Ca -0.02 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3hdu s VAL 131 Cb 0.02 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 34.01 3hdu s VAL 131 CO 0.17 0.57 -0.16 0.00 0.00 0.00 0.00 175.10 175.68 3hdu s ALA 132 N -0.48 2.23 -0.26 5.51 0.00 0.13 -0.30 121.76 128.59 3hdu s ALA 132 Ca 0.07 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 50.71 3hdu s ALA 132 Cb -0.12 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 3hdu s ALA 132 CO 0.02 -0.52 0.14 0.08 0.00 0.00 0.00 175.76 175.48 3hdu s VAL 133 N 1.32 4.91 -0.04 0.00 1.01 -0.44 -1.21 120.40 125.94 3hdu s VAL 133 Ca 0.02 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.10 3hdu s VAL 133 Cb -0.14 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3hdu s VAL 133 CO -0.11 0.29 -0.22 -0.63 0.00 0.00 0.00 175.10 174.44 3hdu s ILE 134 N 1.63 2.40 -0.16 2.22 1.09 0.11 -1.06 121.20 127.43 3hdu s ILE 134 Ca 0.07 -0.96 -0.05 0.00 -1.10 0.00 0.00 60.65 58.60 3hdu s ILE 134 Cb -0.15 -1.88 -0.03 0.00 -1.06 0.00 0.00 42.46 39.33 3hdu s ILE 134 CO 0.08 0.58 0.01 0.00 -0.10 0.00 0.00 174.94 175.51 3hdu s ARG 135 N -0.51 3.75 0.14 2.79 3.03 0.13 -1.16 118.95 127.13 3hdu s ARG 135 Ca 0.07 -0.43 0.11 0.00 2.03 0.00 0.00 55.73 57.51 3hdu s ARG 135 Cb -0.11 -3.04 -0.04 0.00 -1.03 0.00 0.00 34.95 30.73 3hdu s ARG 135 CO 0.01 0.30 -0.24 0.95 -1.13 0.00 0.00 175.30 175.19 3hdu s THR 136 N 0.24 2.44 -0.08 4.99 -4.23 0.12 0.17 115.64 119.28 3hdu s THR 136 Ca 0.01 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3hdu s THR 136 Cb -0.13 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.62 3hdu s THR 136 CO 0.02 0.04 -0.07 -1.61 -0.54 0.00 0.00 174.62 172.46 3hdu s GLU 137 N -2.24 1.23 0.26 3.99 2.02 -0.12 -1.48 118.70 122.36 3hdu s GLU 137 Ca 0.17 -0.19 0.10 0.00 0.02 0.00 0.00 54.97 55.07 3hdu s GLU 137 Cb -0.10 -1.25 -0.04 0.00 0.10 0.00 0.00 34.13 32.84 3hdu s GLU 137 CO 0.08 -0.16 -0.06 -1.17 0.02 0.00 0.00 175.26 173.98 3hdu s LEU 138 N 1.31 3.03 0.00 1.80 0.20 0.15 -0.79 118.68 124.39 3hdu s LEU 138 Ca -0.04 -0.73 0.02 0.00 0.69 0.00 0.00 54.13 54.08 3hdu s LEU 138 Cb -0.14 -1.57 -0.01 0.00 -0.43 0.00 0.00 46.19 44.05 3hdu s LEU 138 CO -0.03 0.02 0.08 -0.46 -0.29 0.00 0.00 176.35 175.67 3hdu n ASN 140 N -0.75 1.17 -0.29 3.68 0.23 -1.04 -1.39 115.26 116.87 3hdu n ASN 140 Ca -0.06 -2.24 0.12 0.00 -0.53 0.00 0.00 54.58 51.86 3hdu n ASN 140 Cb 0.59 0.57 0.26 0.00 -2.08 0.00 0.00 39.78 39.12 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 0.92 -0.14 -0.26 0.53 3.32 -1.88 -2.30 116.42 116.61 3hdu h ASP 141 Ca -0.18 0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3hdu h ASP 141 Cb 0.69 0.32 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 3hdu h ASP 141 CO 0.29 -0.19 0.05 0.00 -1.72 0.00 0.00 179.24 177.67 3hdu n GLN 142 N -5.29 2.29 -1.05 3.56 6.02 -1.26 -4.90 117.38 116.75 3hdu n GLN 142 Ca 0.20 -1.21 -0.02 0.00 -0.01 0.00 0.00 57.00 55.96 3hdu n GLN 142 Cb 0.65 -1.73 -0.01 0.00 1.02 0.00 0.00 30.24 30.18 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 0.16 -5.45 -4.72 1.08 2.03 -0.87 -4.97 116.55 103.81 3hdu n ASP 143 Ca 0.13 0.04 -0.41 0.00 0.52 0.00 0.00 54.79 55.08 3hdu n ASP 143 Cb 0.69 -3.11 -0.04 0.00 -0.72 0.00 0.00 41.12 37.95 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 -1.84 4.54 -0.11 -0.67 2.02 -1.26 -4.81 118.70 116.57 3hdu s GLU 144 Ca 0.00 1.25 -0.29 0.00 0.02 0.00 0.00 54.97 55.94 3hdu s GLU 144 Cb 0.00 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 3hdu s GLU 144 CO 0.00 0.06 1.54 -1.17 0.02 0.00 0.00 175.26 175.71 3hdu s LEU 145 N 0.68 4.23 -0.07 1.80 2.96 -1.26 -2.49 118.68 124.52 3hdu s LEU 145 Ca 0.46 2.00 0.12 0.00 -0.22 0.00 0.00 54.13 56.50 3hdu s LEU 145 Cb -0.20 -3.53 -0.18 0.00 0.50 0.00 0.00 46.19 42.77 3hdu s LEU 145 CO 0.25 -0.92 0.17 2.30 -1.32 0.00 0.00 176.35 176.83 3hdu n ILE 146 N 5.57 0.43 -3.55 6.68 -5.35 -0.49 -4.62 119.36 118.03 3hdu n ILE 146 Ca 0.16 -0.42 -0.16 0.00 -0.27 0.00 0.00 62.75 62.06 3hdu n ILE 146 Cb 0.44 -0.24 -0.06 0.00 -1.74 0.00 0.00 39.64 38.04 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 -2.63 -1.56 0.12 -1.28 0.00 -1.04 -0.76 121.76 114.61 3hdu s ALA 147 Ca -0.06 1.00 0.08 0.00 0.00 0.00 0.00 51.96 52.99 3hdu s ALA 147 Cb 0.06 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 3hdu s ALA 147 CO 0.54 -0.41 -0.19 0.14 0.00 0.00 0.00 175.76 175.84 3hdu s VAL 148 N -1.64 1.70 -0.02 0.00 -7.23 -0.62 -0.67 120.40 111.92 3hdu s VAL 148 Ca -0.09 -1.65 -0.10 0.00 -1.81 0.00 0.00 61.98 58.32 3hdu s VAL 148 Cb -0.01 -1.62 0.01 0.00 0.56 0.00 0.00 36.38 35.33 3hdu s VAL 148 CO 0.05 -0.16 0.21 -0.83 -0.31 0.00 0.00 175.10 174.06 3hdu s GLY 149 N -2.16 -0.06 -0.20 2.32 0.00 -0.55 -1.08 107.32 105.60 3hdu s GLY 149 Ca 0.09 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.99 3hdu s GLY 149 CO 0.05 0.03 -0.16 -0.56 0.00 0.00 0.00 173.10 172.46 3hdu s SER 150 N -1.05 3.51 -0.05 1.64 0.01 0.34 0.10 113.70 118.21 3hdu s SER 150 Ca -0.11 -0.66 0.03 0.00 1.31 0.00 0.00 55.95 56.52 3hdu s SER 150 Cb -0.06 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 64.63 3hdu s SER 150 CO 0.02 -0.02 -0.14 -0.69 0.41 0.00 0.00 173.24 172.82 3hdu s VAL 151 N 1.32 1.22 -0.18 3.43 1.01 -0.31 -0.59 120.40 126.31 3hdu s VAL 151 Ca 0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3hdu s VAL 151 Cb -0.14 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 3hdu s VAL 151 CO -0.10 0.37 -0.06 -0.44 0.00 0.00 0.00 175.10 174.86 3hdu s SER 152 N 0.32 4.38 0.02 3.32 0.01 0.33 -0.71 113.70 121.37 3hdu s SER 152 Ca -0.08 -0.29 0.06 0.00 1.31 0.00 0.00 55.95 56.95 3hdu s SER 152 Cb -0.13 -1.72 -0.03 0.00 0.21 0.00 0.00 66.02 64.35 3hdu s SER 152 CO 0.03 0.08 -0.18 -0.31 0.41 0.00 0.00 173.24 173.27 3hdu s TYR 153 N 0.86 2.57 0.12 2.43 1.51 -0.35 -2.74 117.35 121.75 3hdu s TYR 153 Ca -0.02 -0.25 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 3hdu s TYR 153 Cb -0.15 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 3hdu s TYR 153 CO 0.01 0.22 -0.14 0.96 -1.11 0.00 0.00 175.55 175.50 3hdu s ILE 154 N -0.87 1.32 -0.49 2.71 -4.36 -0.43 -0.69 121.20 118.38 3hdu s ILE 154 Ca 0.14 -1.70 -0.22 0.00 -0.26 0.00 0.00 60.65 58.60 3hdu s ILE 154 Cb -0.10 -1.52 0.04 0.00 1.25 0.00 0.00 42.46 42.13 3hdu s ILE 154 CO 0.04 -0.41 0.77 -0.76 0.24 0.00 0.00 174.94 174.82 3hdu s LEU 155 N -2.43 4.42 0.00 0.37 1.43 -1.21 -1.65 118.68 119.60 3hdu s LEU 155 Ca 0.09 -0.41 0.26 0.00 -1.03 0.00 0.00 54.13 53.03 3hdu s LEU 155 Cb -0.05 -2.76 1.56 0.00 0.03 0.00 0.00 46.19 44.97 3hdu s LEU 155 CO 0.03 -0.99 1.91 0.55 0.23 0.00 0.00 176.35 178.09