#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fdu s HIS 10 N 0.00 1.78 0.45 -1.77 3.76 -1.26 -5.02 115.29 113.22 3fdu s HIS 10 Ca 0.00 -0.42 0.24 0.00 -0.15 0.00 0.00 55.06 54.74 3fdu s HIS 10 Cb 0.00 -1.16 1.39 0.00 1.11 0.00 0.00 32.58 33.91 3fdu s HIS 10 CO 0.00 -0.09 2.08 -1.35 -0.85 0.00 0.00 174.74 174.53 3fdu h PRO 11 N 5.90 0.00 -0.00 8.40 0.11 -2.03 -2.87 132.00 141.52 3fdu h PRO 11 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3fdu h PRO 11 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3fdu h PRO 11 CO 0.48 0.12 -0.04 0.72 -0.21 0.00 0.00 178.00 179.07 3fdu n HIS 12 N -3.86 0.00 -3.72 0.65 8.25 -1.26 -4.55 115.22 110.74 3fdu n HIS 12 Ca -0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.16 3fdu n HIS 12 Cb 0.22 -0.19 -0.16 0.00 1.12 0.00 0.00 29.99 30.97 3fdu n HIS 12 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3fdu s LEU 13 N -2.42 1.10 0.05 2.41 2.96 -1.08 0.18 118.68 121.88 3fdu s LEU 13 Ca 0.32 -0.82 -0.18 0.00 -0.22 0.00 0.00 54.13 53.23 3fdu s LEU 13 Cb 0.21 -0.56 -0.06 0.00 0.50 0.00 0.00 46.19 46.28 3fdu s LEU 13 CO 0.45 -0.32 0.54 0.21 -1.32 0.00 0.00 176.35 175.91 3fdu s ASN 14 N 1.89 7.00 0.13 3.68 3.84 -0.37 -4.39 114.94 126.72 3fdu s ASN 14 Ca -0.00 1.19 0.11 0.00 0.21 0.00 0.00 52.86 54.36 3fdu s ASN 14 Cb -0.17 -2.34 -0.04 0.00 -0.55 0.00 0.00 41.25 38.15 3fdu s ASN 14 CO -0.09 0.27 -0.26 0.00 -2.79 0.00 0.00 177.10 174.23 3fdu s ALA 15 N -1.01 2.40 -0.14 1.71 0.00 -1.26 -0.85 121.76 122.60 3fdu s ALA 15 Ca 0.28 -1.46 -0.07 0.00 0.00 0.00 0.00 51.96 50.71 3fdu s ALA 15 Cb -0.19 -0.40 0.05 0.00 0.00 0.00 0.00 23.12 22.59 3fdu s ALA 15 CO 0.18 0.54 0.32 1.21 0.00 0.00 0.00 175.76 178.01 3fdu s ASN 16 N -2.05 -0.30 -0.20 0.00 2.47 -0.76 -5.00 114.94 109.09 3fdu s ASN 16 Ca 0.14 0.69 0.01 0.00 0.42 0.00 0.00 52.86 54.12 3fdu s ASN 16 Cb -0.10 0.61 0.04 0.00 -1.45 0.00 0.00 41.25 40.35 3fdu s ASN 16 CO 0.06 -0.19 -0.15 -0.22 -3.72 0.00 0.00 177.10 172.89 3fdu s LEU 17 N 1.49 2.48 -0.06 3.21 2.96 -1.26 -0.78 118.68 126.73 3fdu s LEU 17 Ca -0.08 -0.89 -0.02 0.00 -0.22 0.00 0.00 54.13 52.91 3fdu s LEU 17 Cb -0.10 -1.41 0.04 0.00 0.50 0.00 0.00 46.19 45.22 3fdu s LEU 17 CO -0.10 -0.09 0.11 -1.61 -1.32 0.00 0.00 176.35 173.34 3fdu s GLU 18 N 1.28 0.01 -1.47 1.98 8.01 -0.87 -4.88 118.70 122.76 3fdu s GLU 18 Ca -0.00 0.40 -0.06 0.00 0.01 0.00 0.00 54.97 55.32 3fdu s GLU 18 Cb -0.16 -0.29 0.03 0.00 -4.31 0.00 0.00 34.13 29.40 3fdu s GLU 18 CO -0.10 -0.25 0.56 0.41 0.01 0.00 0.00 175.26 175.90 3fdu n GLY 19 N 4.79 -0.51 1.62 -1.39 0.00 -1.26 -1.57 105.19 106.87 3fdu n GLY 19 Ca -0.15 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3fdu n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fdu n GLY 20 N -1.41 1.38 3.57 -0.02 0.00 -1.26 -4.92 105.19 102.53 3fdu n GLY 20 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 3fdu n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fdu s VAL 21 N -2.70 5.13 -0.22 1.61 1.01 -0.61 0.18 120.40 124.80 3fdu s VAL 21 Ca 0.00 0.36 -0.22 0.00 0.00 0.00 0.00 61.98 62.12 3fdu s VAL 21 Cb 0.00 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3fdu s VAL 21 CO 0.00 -0.01 0.72 -0.22 0.00 0.00 0.00 175.10 175.59 3fdu s LEU 22 N 2.14 4.11 -0.22 3.92 2.96 -0.09 -2.06 118.68 129.44 3fdu s LEU 22 Ca 0.15 0.91 -0.08 0.00 -0.22 0.00 0.00 54.13 54.90 3fdu s LEU 22 Cb -0.16 -3.02 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 3fdu s LEU 22 CO 0.11 -0.39 0.08 -0.89 -1.32 0.00 0.00 176.35 173.94 3fdu s THR 23 N 2.38 4.62 -0.26 3.68 2.01 0.04 -0.05 115.64 128.07 3fdu s THR 23 Ca 0.31 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.20 3fdu s THR 23 Cb -0.16 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.24 3fdu s THR 23 CO 0.09 0.38 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.64 3fdu s LEU 24 N 1.05 3.34 -0.17 4.42 1.43 0.10 -1.83 118.68 127.02 3fdu s LEU 24 Ca 0.04 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 3fdu s LEU 24 Cb -0.14 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.33 3fdu s LEU 24 CO 0.03 -0.12 -0.17 0.00 0.23 0.00 0.00 176.35 176.32 3fdu s ALA 25 N 1.42 2.43 -0.07 4.21 0.00 -0.03 -1.60 121.76 128.12 3fdu s ALA 25 Ca 0.02 -1.13 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 3fdu s ALA 25 Cb -0.16 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 3fdu s ALA 25 CO -0.02 -0.20 1.19 0.42 0.00 0.00 0.00 175.76 177.15 3fdu s ILE 26 N 1.08 4.31 -0.64 0.00 1.01 0.41 -1.24 121.20 126.13 3fdu s ILE 26 Ca -0.00 1.62 0.05 0.00 0.00 0.00 0.00 60.65 62.33 3fdu s ILE 26 Cb -0.14 -4.05 0.20 0.00 0.01 0.00 0.00 42.46 38.48 3fdu s ILE 26 CO -0.05 -0.02 0.58 -3.20 0.00 0.00 0.00 174.94 172.25 3fdu n ASN 27 N 5.35 2.88 -3.18 3.58 5.15 0.13 0.19 115.26 129.37 3fdu n ASN 27 Ca 0.11 -3.21 -0.19 0.00 -0.60 0.00 0.00 54.58 50.69 3fdu n ASN 27 Cb 0.46 -0.70 -0.04 0.00 -0.53 0.00 0.00 39.78 38.97 3fdu n ASN 27 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3fdu n ARG 28 N 1.58 0.92 0.26 1.20 0.63 -1.26 -4.14 116.66 115.84 3fdu n ARG 28 Ca 0.24 -3.32 0.17 0.00 -0.92 0.00 0.00 57.85 54.03 3fdu n ARG 28 Cb 0.39 -1.59 0.81 0.00 0.45 0.00 0.00 32.46 32.51 3fdu n ARG 28 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 3fdu h PRO 29 N 3.21 0.00 0.00 -0.14 0.13 -1.94 -0.93 132.00 132.33 3fdu h PRO 29 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3fdu h PRO 29 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3fdu h PRO 29 CO 0.48 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.64 3fdu n GLU 30 N -2.84 0.20 -0.37 0.86 4.71 -1.26 -2.19 120.64 119.75 3fdu n GLU 30 Ca -0.01 0.44 0.05 0.00 -0.01 0.00 0.00 57.16 57.64 3fdu n GLU 30 Cb 0.19 -1.90 0.08 0.00 -1.01 0.00 0.00 31.44 28.80 3fdu n GLU 30 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3fdu n ALA 31 N -1.79 2.24 -3.86 0.62 0.00 -0.65 -4.97 120.51 112.11 3fdu n ALA 31 Ca 0.02 -1.96 -0.30 0.00 0.00 0.00 0.00 53.44 51.19 3fdu n ALA 31 Cb 0.23 -0.45 -0.00 0.00 0.00 0.00 0.00 19.45 19.22 3fdu n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fdu n LYS 32 N -0.69 -4.08 -1.50 0.00 5.02 -0.93 -1.37 118.16 114.61 3fdu n LYS 32 Ca 0.09 0.49 -0.13 0.00 -2.02 0.00 0.00 58.31 56.74 3fdu n LYS 32 Cb 0.70 -5.28 -0.05 0.00 -0.02 0.00 0.00 35.03 30.39 3fdu n LYS 32 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3fdu n ASN 33 N -2.61 -4.45 -4.59 4.39 4.13 -0.45 -1.51 115.26 110.17 3fdu n ASN 33 Ca 0.04 0.27 -0.44 0.00 1.68 0.00 0.00 54.58 56.13 3fdu n ASN 33 Cb 0.52 -3.16 -0.01 0.00 -1.54 0.00 0.00 39.78 35.59 3fdu n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fdu n ALA 34 N 0.81 -0.11 -2.81 5.41 0.00 -0.47 -3.83 120.51 119.51 3fdu n ALA 34 Ca -0.13 0.35 -0.35 0.00 0.00 0.00 0.00 53.44 53.31 3fdu n ALA 34 Cb 0.45 -2.03 -0.10 0.00 0.00 0.00 0.00 19.45 17.77 3fdu n ALA 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fdu s LEU 35 N 0.23 3.76 0.30 0.00 1.43 0.11 -4.75 118.68 119.76 3fdu s LEU 35 Ca 0.59 0.11 0.10 0.00 -1.03 0.00 0.00 54.13 53.90 3fdu s LEU 35 Cb -0.66 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 3fdu s LEU 35 CO 0.59 0.24 -0.05 -0.72 0.23 0.00 0.00 176.35 176.65 3fdu s TYR 36 N -0.03 2.54 0.11 0.29 -0.85 -1.26 0.00 117.35 118.15 3fdu s TYR 36 Ca 0.05 -0.33 -0.21 0.00 -0.52 0.00 0.00 57.07 56.07 3fdu s TYR 36 Cb -0.12 -1.25 -0.05 0.00 0.38 0.00 0.00 41.96 40.92 3fdu s TYR 36 CO 0.01 0.59 1.12 0.41 -1.52 0.00 0.00 175.55 176.17 3fdu n GLY 37 N -0.85 -2.01 0.35 5.49 0.00 -1.26 -0.97 105.19 105.94 3fdu n GLY 37 Ca -0.05 0.85 -0.03 0.00 0.00 0.00 0.00 46.02 46.79 3fdu n GLY 37 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fdu h GLU 38 N 0.00 1.20 -0.36 1.61 4.39 -2.00 -2.73 114.58 116.70 3fdu h GLU 38 Ca 0.11 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 59.60 3fdu h GLU 38 Cb 0.28 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3fdu h GLU 38 CO -0.63 0.80 -0.30 1.25 -1.16 0.00 0.00 179.01 178.97 3fdu h LEU 39 N 1.23 0.80 -0.54 1.33 5.85 -1.46 -0.18 115.31 122.33 3fdu h LEU 39 Ca 0.33 -0.32 0.11 0.00 0.84 0.00 0.00 57.88 58.84 3fdu h LEU 39 Cb -0.13 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 40.58 3fdu h LEU 39 CO -0.07 1.04 -0.13 1.88 -0.34 0.00 0.00 178.44 180.82 3fdu h TYR 40 N 0.65 -0.28 -0.43 1.25 0.05 -1.01 -2.11 116.97 115.10 3fdu h TYR 40 Ca 0.07 0.05 -0.11 0.00 0.05 0.00 0.00 58.73 58.80 3fdu h TYR 40 Cb 0.83 0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.77 3fdu h TYR 40 CO 0.04 -0.23 -0.16 -0.07 -1.05 0.00 0.00 178.16 176.69 3fdu h LEU 41 N 0.00 0.81 -0.75 3.88 3.38 -1.11 -1.20 115.31 120.33 3fdu h LEU 41 Ca 0.26 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3fdu h LEU 41 Cb 0.40 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3fdu h LEU 41 CO -0.56 0.97 0.05 -0.50 0.09 0.00 0.00 178.44 178.49 3fdu h TRP 42 N 0.72 1.08 -0.19 1.13 6.55 -0.77 0.46 115.95 124.93 3fdu h TRP 42 Ca 0.11 -0.16 -0.01 0.00 0.95 0.00 0.00 58.89 59.78 3fdu h TRP 42 Cb 0.66 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 28.67 3fdu h TRP 42 CO 0.04 0.93 0.06 0.82 -1.05 0.00 0.00 178.44 179.24 3fdu h ILE 43 N 0.93 1.18 -0.55 1.49 2.04 -1.27 -1.47 117.51 119.86 3fdu h ILE 43 Ca 0.18 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.51 3fdu h ILE 43 Cb 0.47 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 3fdu h ILE 43 CO 0.02 0.18 0.30 0.00 0.00 0.00 0.00 178.15 178.65 3fdu h ALA 44 N 0.88 0.71 -0.77 1.87 0.00 -0.99 -0.97 119.26 119.99 3fdu h ALA 44 Ca 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fdu h ALA 44 Cb 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3fdu h ALA 44 CO -0.00 -0.02 0.47 -0.22 0.00 0.00 0.00 179.25 179.48 3fdu h LYS 45 N 0.59 1.03 -0.20 0.00 3.64 -0.85 -0.61 116.57 120.18 3fdu h LYS 45 Ca 0.23 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3fdu h LYS 45 Cb 0.10 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3fdu h LYS 45 CO -0.14 0.72 0.12 0.00 -2.27 0.00 0.00 179.45 177.89 3fdu h ALA 46 N 1.25 0.26 -0.28 5.00 0.00 -0.49 -1.24 119.26 123.76 3fdu h ALA 46 Ca 0.28 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.20 3fdu h ALA 46 Cb -0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3fdu h ALA 46 CO -0.05 -0.24 -0.03 -0.07 0.00 0.00 0.00 179.25 178.86 3fdu h LEU 47 N 0.24 -0.18 -0.63 0.00 3.38 -0.95 -0.78 115.31 116.40 3fdu h LEU 47 Ca 0.07 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3fdu h LEU 47 Cb 0.02 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3fdu h LEU 47 CO -0.01 -0.06 0.36 0.44 0.09 0.00 0.00 178.44 179.26 3fdu h ASP 48 N 0.04 0.55 -0.03 -0.43 3.32 -0.97 -2.20 116.42 116.71 3fdu h ASP 48 Ca 0.13 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.07 3fdu h ASP 48 Cb 0.19 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3fdu h ASP 48 CO -0.25 0.37 -0.43 -0.33 -1.72 0.00 0.00 179.24 176.88 3fdu h GLU 49 N 0.69 0.56 -0.64 3.56 5.08 -1.13 -3.03 114.58 119.66 3fdu h GLU 49 Ca 0.27 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3fdu h GLU 49 Cb 0.13 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3fdu h GLU 49 CO -0.15 0.88 0.20 0.00 -1.00 0.00 0.00 179.01 178.95 3fdu h ALA 50 N 1.08 1.15 -0.63 3.43 0.00 -0.84 0.48 119.26 123.93 3fdu h ALA 50 Ca 0.03 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3fdu h ALA 50 Cb 0.94 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3fdu h ALA 50 CO 0.08 0.59 0.23 0.22 0.00 0.00 0.00 179.25 180.37 3fdu h ASP 51 N 0.94 0.86 1.01 0.00 3.58 -1.29 -2.54 116.42 118.99 3fdu h ASP 51 Ca 0.21 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3fdu h ASP 51 Cb 0.26 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.09 3fdu h ASP 51 CO -0.01 0.79 -0.18 0.00 -2.88 0.00 0.00 179.24 176.96 3fdu n GLN 52 N -4.30 0.11 -2.56 0.28 1.13 -0.89 -4.87 117.38 106.30 3fdu n GLN 52 Ca 0.05 0.07 -0.43 0.00 -1.94 0.00 0.00 57.00 54.75 3fdu n GLN 52 Cb 0.19 -1.61 -0.02 0.00 0.11 0.00 0.00 30.24 28.91 3fdu n GLN 52 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3fdu s ASN 53 N -3.58 6.73 0.59 1.08 3.84 0.11 -4.92 114.94 118.80 3fdu s ASN 53 Ca 0.11 0.89 0.30 0.00 0.21 0.00 0.00 52.86 54.37 3fdu s ASN 53 Cb 0.16 -2.54 1.79 0.00 -0.55 0.00 0.00 41.25 40.11 3fdu s ASN 53 CO 0.61 -1.09 2.21 0.07 -2.79 0.00 0.00 177.10 176.11 3fdu h LYS 54 N 8.92 0.00 -0.01 0.43 2.10 -1.89 -1.85 116.57 124.27 3fdu h LYS 54 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 3fdu h LYS 54 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3fdu h LYS 54 CO 1.07 0.00 -0.25 -0.25 -2.00 0.00 0.00 179.45 178.01 3fdu n ASP 55 N -3.79 1.01 -4.68 7.07 8.00 -1.26 -4.80 116.55 118.10 3fdu n ASP 55 Ca -0.02 -0.88 -0.36 0.00 0.71 0.00 0.00 54.79 54.24 3fdu n ASP 55 Cb 0.16 0.13 -0.09 0.00 -0.02 0.00 0.00 41.12 41.30 3fdu n ASP 55 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fdu s VAL 56 N -2.50 5.35 -0.15 2.53 1.01 -0.70 -4.04 120.40 121.89 3fdu s VAL 56 Ca 0.24 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3fdu s VAL 56 Cb 0.19 -3.48 -0.12 0.00 0.00 0.00 0.00 36.38 32.98 3fdu s VAL 56 CO 0.52 0.38 -0.10 0.54 0.00 0.00 0.00 175.10 176.44 3fdu n ARG 57 N 4.03 0.76 -3.97 2.72 5.12 0.13 -4.91 116.66 120.54 3fdu n ARG 57 Ca -0.15 0.07 -0.10 0.00 -1.93 0.00 0.00 57.85 55.73 3fdu n ARG 57 Cb 0.52 -1.32 -0.12 0.00 -1.16 0.00 0.00 32.46 30.38 3fdu n ARG 57 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3fdu s VAL 58 N -2.32 0.14 -0.09 1.55 1.01 -0.80 -4.25 120.40 115.64 3fdu s VAL 58 Ca -0.18 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.11 3fdu s VAL 58 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 3fdu s VAL 58 CO 0.41 -0.37 -0.21 -0.69 0.00 0.00 0.00 175.10 174.24 3fdu s VAL 59 N -1.12 2.41 -0.15 2.92 1.01 -0.79 -0.91 120.40 123.77 3fdu s VAL 59 Ca -0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 3fdu s VAL 59 Cb -0.08 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 3fdu s VAL 59 CO -0.01 0.56 -0.07 -0.69 0.00 0.00 0.00 175.10 174.89 3fdu s VAL 60 N 0.07 3.57 -0.12 2.92 1.01 0.93 -0.55 120.40 128.23 3fdu s VAL 60 Ca -0.09 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 3fdu s VAL 60 Cb -0.15 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 3fdu s VAL 60 CO 0.06 0.49 -0.12 -0.22 0.00 0.00 0.00 175.10 175.31 3fdu s LEU 61 N 0.48 2.77 0.34 3.92 2.96 0.37 -0.72 118.68 128.80 3fdu s LEU 61 Ca -0.05 -0.29 -0.17 0.00 -0.22 0.00 0.00 54.13 53.39 3fdu s LEU 61 Cb -0.15 -1.62 0.04 0.00 0.50 0.00 0.00 46.19 44.96 3fdu s LEU 61 CO 0.03 0.19 0.75 0.00 -1.32 0.00 0.00 176.35 176.00 3fdu s ARG 62 N 0.22 2.05 0.59 1.98 1.70 -0.63 -2.35 118.95 122.52 3fdu s ARG 62 Ca -0.08 -1.27 -0.13 0.00 -0.47 0.00 0.00 55.73 53.78 3fdu s ARG 62 Cb -0.15 0.61 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 3fdu s ARG 62 CO 0.05 -0.95 1.02 0.20 -1.08 0.00 0.00 175.30 174.55 3fdu s GLY 63 N -3.01 1.87 0.32 3.88 0.00 -1.26 -0.44 107.32 108.68 3fdu s GLY 63 Ca 0.14 0.10 0.16 0.00 0.00 0.00 0.00 44.72 45.12 3fdu s GLY 63 CO 0.10 0.39 1.64 0.00 0.00 0.00 0.00 173.10 175.23 3fdu h ALA 64 N 0.13 0.91 -3.00 3.20 0.00 -0.47 -3.42 119.26 116.62 3fdu h ALA 64 Ca -0.45 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.01 3fdu h ALA 64 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3fdu h ALA 64 CO 0.60 0.61 0.00 -0.85 0.00 0.00 0.00 179.25 179.61 3fdu n GLU 65 N -3.54 0.00 0.00 0.00 0.00 -1.26 -5.04 120.64 110.79 3fdu n GLU 65 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.29 3fdu n GLU 65 Cb 0.59 0.00 0.42 0.00 0.00 0.00 0.00 31.44 32.45 3fdu n GLU 65 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3fdu n HIS 66 N 0.00 0.00 -4.29 -1.84 8.25 -1.26 -4.82 115.22 111.26 3fdu n HIS 66 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 3fdu n HIS 66 Cb 0.00 -0.30 -0.13 0.00 1.12 0.00 0.00 29.99 30.68 3fdu n HIS 66 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fdu s ASP 67 N -2.89 1.41 -0.04 0.41 1.01 -1.24 -2.10 116.67 113.24 3fdu s ASP 67 Ca 0.15 -0.43 -0.02 0.00 0.71 0.00 0.00 52.55 52.97 3fdu s ASP 67 Cb 0.18 -0.08 -0.01 0.00 1.01 0.00 0.00 42.92 44.03 3fdu s ASP 67 CO 0.60 -0.00 -0.03 0.15 0.21 0.00 0.00 175.17 176.10 3fdu h PHE 68 N 4.99 0.00 -1.82 4.23 3.57 -0.67 -3.35 116.94 123.89 3fdu h PHE 68 Ca -0.36 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.20 3fdu h PHE 68 Cb 1.18 0.00 -0.22 0.00 2.79 0.00 0.00 35.95 39.70 3fdu h PHE 68 CO 0.54 0.00 0.09 -0.08 -2.23 0.00 0.00 178.31 176.63 3fdu s THR 69 N -1.29 -0.22 -1.93 4.41 -1.32 -0.62 -4.50 115.64 110.17 3fdu s THR 69 Ca -0.03 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.66 3fdu s THR 69 Cb 0.00 -1.00 0.57 0.00 -1.51 0.00 0.00 72.50 70.56 3fdu s THR 69 CO 0.04 0.00 1.63 0.00 -2.21 0.00 0.00 174.62 174.08 3fdu n ALA 70 N 4.43 2.25 0.00 11.08 0.00 -0.57 -1.53 120.51 136.17 3fdu n ALA 70 Ca -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3fdu n ALA 70 Cb 0.56 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3fdu n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fdu n GLY 71 N 0.32 -1.79 3.71 0.00 0.00 -1.23 -4.60 105.19 101.61 3fdu n GLY 71 Ca 0.15 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 3fdu n GLY 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fdu s ASN 72 N -4.00 6.60 -0.01 1.61 2.47 -1.26 0.08 114.94 120.43 3fdu s ASN 72 Ca 0.00 2.58 -0.30 0.00 0.42 0.00 0.00 52.86 55.56 3fdu s ASN 72 Cb 0.00 -2.59 -0.07 0.00 -1.45 0.00 0.00 41.25 37.14 3fdu s ASN 72 CO 0.00 -0.82 1.72 -0.62 -3.72 0.00 0.00 177.10 173.66 3fdu s ASP 73 N 1.30 6.61 0.04 -4.21 2.15 0.10 -4.73 116.67 117.93 3fdu s ASP 73 Ca 0.70 2.39 -0.28 0.00 0.43 0.00 0.00 52.55 55.79 3fdu s ASP 73 Cb -0.43 -2.54 -0.17 0.00 -0.30 0.00 0.00 42.92 39.48 3fdu s ASP 73 CO 0.31 -0.94 1.45 0.24 -0.17 0.00 0.00 175.17 176.06 3fdu h MET 74 N 9.47 -0.57 -0.28 4.34 2.86 -1.92 0.17 114.93 128.99 3fdu h MET 74 Ca -0.42 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.29 3fdu h MET 74 Cb 1.20 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.94 3fdu h MET 74 CO 0.94 -0.31 -0.26 0.87 1.06 0.00 0.00 176.91 179.22 3fdu h LYS 75 N -0.76 -0.11 -0.13 1.72 6.56 -2.00 0.19 116.57 122.05 3fdu h LYS 75 Ca -0.06 0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.57 3fdu h LYS 75 Cb 0.53 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.21 3fdu h LYS 75 CO 0.10 -0.07 0.16 0.22 -2.06 0.00 0.00 179.45 177.80 3fdu h ASP 76 N -0.12 0.00 -3.15 0.86 3.58 -1.95 -3.54 116.42 112.11 3fdu h ASP 76 Ca 0.05 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.93 3fdu h ASP 76 Cb 0.24 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.23 3fdu h ASP 76 CO -0.32 0.00 0.90 0.12 -2.88 0.00 0.00 179.24 177.06 3fdu s PHE 77 N -4.57 2.93 0.00 0.28 5.36 0.67 -4.92 117.98 117.73 3fdu s PHE 77 Ca -0.05 1.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.98 3fdu s PHE 77 Cb 0.15 -3.70 0.00 0.00 -0.34 0.00 0.00 43.02 39.13 3fdu s PHE 77 CO 0.52 -1.28 0.00 0.41 -1.46 0.00 0.00 175.22 173.41 3fdu n GLY 87 N 3.94 0.78 3.75 13.12 0.00 -1.26 -5.06 105.19 120.46 3fdu n GLY 87 Ca 0.13 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3fdu n GLY 87 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fdu s PRO 88 N 0.00 4.28 0.44 1.61 0.02 -1.26 -4.91 135.00 135.18 3fdu s PRO 88 Ca 0.00 2.28 0.17 0.00 0.02 0.00 0.00 61.00 63.47 3fdu s PRO 88 Cb 0.00 -3.11 1.10 0.00 0.02 0.00 0.00 34.50 32.51 3fdu s PRO 88 CO 0.00 -0.39 1.95 0.00 -0.33 0.00 0.00 177.00 178.22 3fdu h ALA 89 N 4.92 2.15 0.00 -1.55 0.00 -1.95 -0.71 119.26 122.12 3fdu h ALA 89 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3fdu h ALA 89 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3fdu h ALA 89 CO 0.77 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.11 3fdu n GLY 90 N -1.54 -1.07 0.76 0.00 0.00 -1.26 -2.42 105.19 99.66 3fdu n GLY 90 Ca 0.12 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3fdu n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fdu n GLN 91 N -1.52 1.77 -2.21 1.61 1.13 -0.28 -4.25 117.38 113.64 3fdu n GLN 91 Ca 0.04 -1.75 -0.41 0.00 -1.94 0.00 0.00 57.00 52.94 3fdu n GLN 91 Cb 0.19 -1.35 -0.03 0.00 0.11 0.00 0.00 30.24 29.16 3fdu n GLN 91 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3fdu s VAL 92 N -1.29 3.21 0.26 5.09 1.01 -1.02 -4.80 120.40 122.87 3fdu s VAL 92 Ca 0.24 0.98 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 3fdu s VAL 92 Cb 0.15 -3.63 0.27 0.00 0.00 0.00 0.00 36.38 33.18 3fdu s VAL 92 CO 0.22 0.14 1.66 -0.65 0.00 0.00 0.00 175.10 176.47 3fdu h PRO 93 N 5.53 0.23 -0.03 2.72 0.11 -1.90 -1.12 132.00 137.53 3fdu h PRO 93 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3fdu h PRO 93 Cb 1.21 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3fdu h PRO 93 CO 0.78 0.15 -0.01 -1.00 -0.21 0.00 0.00 178.00 177.71 3fdu h PRO 94 N 0.23 0.04 -0.02 1.05 0.13 -1.91 -2.01 132.00 129.52 3fdu h PRO 94 Ca 0.48 -0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.44 3fdu h PRO 94 Cb 0.88 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 3fdu h PRO 94 CO -0.59 0.07 -0.72 0.74 -0.23 0.00 0.00 178.00 177.26 3fdu h PHE 95 N 0.05 0.19 -0.43 1.56 0.04 -1.52 -0.65 116.94 116.18 3fdu h PHE 95 Ca 0.01 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3fdu h PHE 95 Cb 0.06 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 3fdu h PHE 95 CO 0.00 0.81 0.28 0.28 -0.60 0.00 0.00 178.31 179.08 3fdu h VAL 96 N 0.09 1.12 -0.16 -0.55 2.07 -1.38 -0.45 116.25 116.99 3fdu h VAL 96 Ca -0.02 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3fdu h VAL 96 Cb 1.28 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3fdu h VAL 96 CO 0.11 0.11 0.06 0.25 0.02 0.00 0.00 177.57 178.12 3fdu h LEU 97 N 0.58 0.22 -0.61 2.57 5.85 -1.12 -0.71 115.31 122.10 3fdu h LEU 97 Ca 0.16 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3fdu h LEU 97 Cb -0.05 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3fdu h LEU 97 CO -0.03 0.34 0.39 -0.07 -0.34 0.00 0.00 178.44 178.72 3fdu h LEU 98 N 0.09 0.65 -0.49 2.25 3.38 -1.02 -1.66 115.31 118.51 3fdu h LEU 98 Ca 0.05 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3fdu h LEU 98 Cb 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3fdu h LEU 98 CO -0.00 0.46 -0.02 0.11 0.09 0.00 0.00 178.44 179.08 3fdu h LYS 99 N 0.78 0.88 -0.74 1.13 1.57 -1.03 -1.79 116.57 117.37 3fdu h LYS 99 Ca 0.23 -0.29 0.08 0.00 -1.87 0.00 0.00 60.65 58.80 3fdu h LYS 99 Cb -0.04 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.13 3fdu h LYS 99 CO -0.07 0.93 0.40 0.77 -0.57 0.00 0.00 179.45 180.91 3fdu h SER 100 N 0.74 0.57 -0.43 0.86 0.02 -0.90 -1.12 113.55 113.29 3fdu h SER 100 Ca 0.14 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3fdu h SER 100 Cb 0.54 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3fdu h SER 100 CO 0.03 0.35 0.20 0.00 -1.14 0.00 0.00 176.83 176.26 3fdu h ALA 101 N 1.41 0.55 -0.54 3.77 0.00 -1.24 -2.50 119.26 120.71 3fdu h ALA 101 Ca 0.35 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3fdu h ALA 101 Cb 0.29 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3fdu h ALA 101 CO -0.23 0.13 0.22 0.00 0.00 0.00 0.00 179.25 179.37 3fdu h ALA 102 N 1.04 1.37 0.00 0.00 0.00 -0.89 -2.83 119.26 117.96 3fdu h ALA 102 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fdu h ALA 102 Cb 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3fdu h ALA 102 CO -0.02 0.48 -0.21 0.54 0.00 0.00 0.00 179.25 180.04 3fdu n ARG 103 N -4.34 0.18 -1.65 0.00 1.74 -0.46 -4.87 116.66 107.25 3fdu n ARG 103 Ca 0.04 0.11 -0.48 0.00 -0.77 0.00 0.00 57.85 56.76 3fdu n ARG 103 Cb 0.16 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 29.88 3fdu n ARG 103 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3fdu n LEU 104 N -1.95 3.38 0.08 0.55 7.94 -0.95 -4.82 117.00 121.21 3fdu n LEU 104 Ca 0.05 0.85 0.13 0.00 -1.11 0.00 0.00 56.01 55.93 3fdu n LEU 104 Cb 0.40 -1.39 0.45 0.00 0.53 0.00 0.00 43.42 43.41 3fdu n LEU 104 CO 0.31 -0.15 0.89 -1.54 -1.11 0.00 0.00 177.39 175.80 3fdu n SER 105 N 7.47 0.60 -4.93 1.96 3.41 -1.26 -4.82 113.62 116.05 3fdu n SER 105 Ca 0.25 0.54 -0.25 0.00 -0.26 0.00 0.00 58.87 59.15 3fdu n SER 105 Cb 0.31 -0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 3fdu n SER 105 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3fdu s LYS 106 N -3.08 3.52 0.25 4.33 1.02 -1.26 -4.59 119.74 119.93 3fdu s LYS 106 Ca 0.11 -0.27 -0.31 0.00 0.02 0.00 0.00 55.97 55.53 3fdu s LYS 106 Cb 0.14 -2.69 -0.12 0.00 -0.52 0.00 0.00 37.83 34.64 3fdu s LYS 106 CO 0.58 0.21 1.58 -2.30 -0.92 0.00 0.00 175.35 174.50 3fdu n PRO 107 N -1.41 2.49 -4.21 -1.68 -0.02 -1.26 -4.89 135.00 124.01 3fdu n PRO 107 Ca -0.04 0.89 -0.33 0.00 -2.02 0.00 0.00 63.50 61.99 3fdu n PRO 107 Cb 0.55 -2.65 -0.15 0.00 -0.02 0.00 0.00 33.50 31.22 3fdu n PRO 107 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3fdu s LEU 108 N 0.19 2.40 -0.10 2.45 2.96 -1.26 -1.89 118.68 123.42 3fdu s LEU 108 Ca 0.69 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 3fdu s LEU 108 Cb -0.56 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 3fdu s LEU 108 CO 0.44 0.02 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.71 3fdu s ILE 109 N 1.18 2.93 -0.07 6.68 1.01 0.29 -0.69 121.20 132.53 3fdu s ILE 109 Ca 0.02 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 59.98 3fdu s ILE 109 Cb -0.14 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 3fdu s ILE 109 CO -0.07 0.55 -0.17 -0.63 0.00 0.00 0.00 174.94 174.62 3fdu s ILE 110 N 0.03 2.83 -0.16 2.92 1.01 -0.43 -0.48 121.20 126.91 3fdu s ILE 110 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3fdu s ILE 110 Cb -0.15 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.22 3fdu s ILE 110 CO 0.04 0.57 -0.16 0.00 0.00 0.00 0.00 174.94 175.39 3fdu s ALA 111 N -0.40 2.44 -0.14 9.38 0.00 -0.99 -1.38 121.76 130.67 3fdu s ALA 111 Ca 0.04 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 3fdu s ALA 111 Cb -0.12 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 3fdu s ALA 111 CO 0.02 -0.14 -0.08 0.08 0.00 0.00 0.00 175.76 175.64 3fdu s VAL 112 N 0.98 3.47 0.10 0.00 1.01 0.28 -4.27 120.40 121.98 3fdu s VAL 112 Ca -0.02 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.49 3fdu s VAL 112 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3fdu s VAL 112 CO -0.03 0.51 -0.13 -0.54 0.00 0.00 0.00 175.10 174.91 3fdu s LYS 113 N 0.33 0.92 4.34 2.72 1.02 -1.26 -2.63 119.74 125.18 3fdu s LYS 113 Ca -0.07 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 54.77 3fdu s LYS 113 Cb -0.15 -0.77 0.00 0.00 -0.52 0.00 0.00 37.83 36.39 3fdu s LYS 113 CO 0.04 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 3fdu n GLY 114 N 0.71 1.98 3.77 -3.33 0.00 -0.89 -1.34 105.19 106.09 3fdu n GLY 114 Ca -0.17 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 3fdu n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fdu s VAL 115 N 0.00 3.10 -0.27 1.61 -7.23 -1.26 -0.93 120.40 115.41 3fdu s VAL 115 Ca 0.00 0.89 0.00 0.00 -1.81 0.00 0.00 61.98 61.06 3fdu s VAL 115 Cb 0.00 -3.48 0.15 0.00 0.56 0.00 0.00 36.38 33.60 3fdu s VAL 115 CO 0.00 0.05 0.37 0.00 -0.31 0.00 0.00 175.10 175.21 3fdu s ALA 116 N -1.45 -0.97 -0.05 1.32 0.00 -0.38 -1.59 121.76 118.64 3fdu s ALA 116 Ca 0.59 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.86 3fdu s ALA 116 Cb -0.30 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 20.93 3fdu s ALA 116 CO 0.38 -1.60 -0.15 0.42 0.00 0.00 0.00 175.76 174.81 3fdu s ILE 117 N 2.49 1.28 0.00 0.00 -1.09 -0.59 -2.72 121.20 120.58 3fdu s ILE 117 Ca 0.10 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 3fdu s ILE 117 Cb -0.14 -1.13 0.00 0.00 -1.58 0.00 0.00 42.46 39.61 3fdu s ILE 117 CO -0.27 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.44 3fdu n GLY 118 N 3.44 0.79 0.26 6.18 0.00 0.19 -1.36 105.19 114.69 3fdu n GLY 118 Ca -0.20 0.50 0.12 0.00 0.00 0.00 0.00 46.02 46.44 3fdu n GLY 118 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fdu h ILE 119 N 0.00 0.60 0.00 -0.61 2.10 -1.94 0.42 117.51 118.08 3fdu h ILE 119 Ca 0.00 -0.59 0.00 0.00 1.08 0.00 0.00 64.86 65.35 3fdu h ILE 119 Cb 0.00 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 3fdu h ILE 119 CO 0.00 0.13 0.00 1.23 -1.08 0.00 0.00 178.15 178.43 3fdu h GLY 120 N 0.92 0.00 0.10 8.18 0.00 -1.50 -1.30 103.07 109.48 3fdu h GLY 120 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.94 3fdu h GLY 120 CO 0.02 0.00 -2.20 -0.62 0.00 0.00 0.00 176.54 173.74 3fdu n VAL 121 N -3.00 1.56 0.20 4.60 0.31 0.05 -4.43 118.33 117.63 3fdu n VAL 121 Ca -0.02 -0.42 0.05 0.00 -0.01 0.00 0.00 64.34 63.93 3fdu n VAL 121 Cb 0.11 -1.75 0.41 0.00 -0.91 0.00 0.00 33.84 31.70 3fdu n VAL 121 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3fdu h THR 122 N -0.52 1.08 0.00 2.52 1.35 -1.17 -1.56 112.91 114.61 3fdu h THR 122 Ca -0.56 -1.23 -0.04 0.00 -0.55 0.00 0.00 66.41 64.04 3fdu h THR 122 Cb 1.72 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 69.82 3fdu h THR 122 CO -0.20 0.33 -0.17 -0.29 -0.25 0.00 0.00 175.52 174.94 3fdu h ILE 123 N 0.00 0.57 0.00 6.82 2.10 -1.48 -2.14 117.51 123.38 3fdu h ILE 123 Ca -0.00 -0.79 -0.02 0.00 1.08 0.00 0.00 64.86 65.13 3fdu h ILE 123 Cb 0.67 1.52 -0.00 0.00 -1.09 0.00 0.00 36.82 37.91 3fdu h ILE 123 CO 0.04 0.16 -0.08 -0.07 -1.08 0.00 0.00 178.15 177.13 3fdu h LEU 124 N 0.00 0.00 -0.23 2.19 3.38 -1.49 -0.94 115.31 118.22 3fdu h LEU 124 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fdu h LEU 124 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3fdu h LEU 124 CO 0.02 0.08 0.00 0.18 0.09 0.00 0.00 178.44 178.81 3fdu n LEU 125 N -4.22 0.71 0.07 1.67 4.77 -0.81 -2.37 117.00 116.83 3fdu n LEU 125 Ca -0.03 0.60 0.11 0.00 -0.03 0.00 0.00 56.01 56.67 3fdu n LEU 125 Cb 0.16 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3fdu n LEU 125 CO 0.33 -0.30 -0.01 0.00 -1.33 0.00 0.00 177.39 176.08 3fdu n GLN 126 N -2.20 0.50 -2.66 3.23 1.13 -0.38 -4.95 117.38 112.04 3fdu n GLN 126 Ca 0.04 0.06 -0.33 0.00 -1.94 0.00 0.00 57.00 54.83 3fdu n GLN 126 Cb 0.36 -1.73 -0.05 0.00 0.11 0.00 0.00 30.24 28.93 3fdu n GLN 126 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3fdu s ALA 127 N -3.32 2.98 0.08 -1.58 0.00 -1.00 -4.71 121.76 114.21 3fdu s ALA 127 Ca 0.01 0.45 -0.05 0.00 0.00 0.00 0.00 51.96 52.36 3fdu s ALA 127 Cb 0.12 -3.18 -0.26 0.00 0.00 0.00 0.00 23.12 19.79 3fdu s ALA 127 CO 0.79 -0.08 1.16 -0.44 0.00 0.00 0.00 175.76 177.19 3fdu h ASP 128 N 1.65 0.47 -3.82 0.00 3.32 -1.20 -3.47 116.42 113.37 3fdu h ASP 128 Ca -0.49 -0.48 -0.23 0.00 0.02 0.00 0.00 57.03 55.85 3fdu h ASP 128 Cb 1.20 -0.15 -0.28 0.00 0.22 0.00 0.00 39.33 40.32 3fdu h ASP 128 CO 0.60 1.36 -0.72 -0.76 -1.72 0.00 0.00 179.24 178.00 3fdu s LEU 129 N -7.27 2.02 -0.02 1.55 1.02 -1.10 -5.03 118.68 109.84 3fdu s LEU 129 Ca -0.05 -0.04 0.02 0.00 0.02 0.00 0.00 54.13 54.09 3fdu s LEU 129 Cb 0.07 -0.00 0.00 0.00 0.02 0.00 0.00 46.19 46.28 3fdu s LEU 129 CO 0.89 -0.02 -0.07 -0.69 0.02 0.00 0.00 176.35 176.48 3fdu s VAL 130 N -0.10 0.61 -0.03 -1.59 1.01 -1.26 -1.32 120.40 117.72 3fdu s VAL 130 Ca -0.01 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.72 3fdu s VAL 130 Cb -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.83 3fdu s VAL 130 CO -0.00 0.20 -0.10 -0.36 0.00 0.00 0.00 175.10 174.84 3fdu s PHE 131 N 0.18 1.05 0.14 5.22 0.08 -0.48 -0.19 117.98 123.98 3fdu s PHE 131 Ca -0.02 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 56.78 3fdu s PHE 131 Cb -0.07 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.59 3fdu s PHE 131 CO 0.00 -0.11 -0.06 0.00 -0.10 0.00 0.00 175.22 174.94 3fdu s ALA 132 N 0.20 1.30 0.53 5.36 0.00 -1.16 -0.55 121.76 127.44 3fdu s ALA 132 Ca -0.04 -1.48 0.07 0.00 0.00 0.00 0.00 51.96 50.51 3fdu s ALA 132 Cb -0.09 0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.27 3fdu s ALA 132 CO 0.01 -0.19 0.46 0.16 0.00 0.00 0.00 175.76 176.19 3fdu s ASP 133 N -3.14 4.76 0.00 0.00 1.47 -1.08 -1.29 116.67 117.40 3fdu s ASP 133 Ca 0.17 -1.11 0.21 0.00 1.18 0.00 0.00 52.55 53.00 3fdu s ASP 133 Cb 0.04 0.24 1.23 0.00 -0.34 0.00 0.00 42.92 44.09 3fdu s ASP 133 CO -0.00 -1.07 1.62 -3.20 0.68 0.00 0.00 175.17 173.20 3fdu n ASN 134 N -1.80 0.00 0.09 2.11 5.15 -1.26 -1.76 115.26 117.79 3fdu n ASN 134 Ca 0.02 -0.72 0.13 0.00 -0.60 0.00 0.00 54.58 53.40 3fdu n ASN 134 Cb 0.63 0.00 0.37 0.00 -0.53 0.00 0.00 39.78 40.26 3fdu n ASN 134 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3fdu n THR 135 N -0.97 0.53 -1.72 -0.44 -2.24 -1.26 -4.83 114.28 103.35 3fdu n THR 135 Ca 0.15 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 3fdu n THR 135 Cb 0.07 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 3fdu n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fdu n ALA 136 N -1.78 2.50 -4.03 6.98 0.00 -0.72 -3.77 120.51 119.68 3fdu n ALA 136 Ca 0.05 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.58 3fdu n ALA 136 Cb 0.43 -2.47 -0.16 0.00 0.00 0.00 0.00 19.45 17.24 3fdu n ALA 136 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3fdu s LEU 137 N 0.45 1.86 0.13 0.00 1.98 -0.10 -3.93 118.68 119.06 3fdu s LEU 137 Ca 0.71 -0.55 0.07 0.00 -2.89 0.00 0.00 54.13 51.47 3fdu s LEU 137 Cb -0.53 -1.29 -0.04 0.00 0.66 0.00 0.00 46.19 44.99 3fdu s LEU 137 CO 0.40 -0.03 -0.05 -0.36 -1.89 0.00 0.00 176.35 174.42 3fdu s PHE 138 N 1.38 2.80 -0.24 5.38 0.08 0.26 -1.25 117.98 126.39 3fdu s PHE 138 Ca 0.04 -0.14 -0.26 0.00 0.12 0.00 0.00 56.93 56.70 3fdu s PHE 138 Cb -0.13 -1.42 0.09 0.00 -0.57 0.00 0.00 43.02 40.99 3fdu s PHE 138 CO -0.11 0.47 0.81 -1.14 -0.10 0.00 0.00 175.22 175.15 3fdu s GLN 139 N -2.52 0.77 -0.57 0.44 0.74 -1.10 -0.45 119.66 116.96 3fdu s GLN 139 Ca 0.24 0.77 -0.02 0.00 0.05 0.00 0.00 55.36 56.40 3fdu s GLN 139 Cb -0.10 0.37 0.15 0.00 1.10 0.00 0.00 33.01 34.53 3fdu s GLN 139 CO 0.16 -0.12 0.37 0.42 -0.55 0.00 0.00 175.29 175.57 3fdu s ILE 140 N 0.08 3.52 -2.26 -2.34 1.01 -1.26 -0.64 121.20 119.30 3fdu s ILE 140 Ca -0.01 -2.81 0.29 0.00 0.00 0.00 0.00 60.65 58.13 3fdu s ILE 140 Cb -0.04 -3.33 0.71 0.00 0.01 0.00 0.00 42.46 39.81 3fdu s ILE 140 CO 0.00 -0.83 1.95 -0.81 0.00 0.00 0.00 174.94 175.26 3fdu n PRO 141 N 3.68 1.36 -0.21 2.79 -0.04 -1.26 -4.33 135.00 136.99 3fdu n PRO 141 Ca 0.06 -0.52 -0.02 0.00 -0.04 0.00 0.00 63.50 62.97 3fdu n PRO 141 Cb 0.38 -1.48 0.05 0.00 -0.04 0.00 0.00 33.50 32.40 3fdu n PRO 141 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3fdu h PHE 142 N 1.26 -0.53 -0.72 0.54 0.04 -1.91 -2.35 116.94 113.28 3fdu h PHE 142 Ca 0.00 0.06 0.04 0.00 2.80 0.00 0.00 57.97 60.87 3fdu h PHE 142 Cb 0.27 0.33 -0.05 0.00 2.20 0.00 0.00 35.95 38.70 3fdu h PHE 142 CO 0.00 -0.32 0.44 0.28 -0.60 0.00 0.00 178.31 178.11 3fdu h VAL 143 N -0.06 1.06 0.00 -0.55 2.07 -1.80 -0.64 116.25 116.33 3fdu h VAL 143 Ca 0.29 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3fdu h VAL 143 Cb 0.51 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3fdu h VAL 143 CO -0.67 0.15 0.00 -1.54 0.02 0.00 0.00 177.57 175.53 3fdu n SER 144 N -4.69 0.00 -0.44 0.57 3.41 -0.89 -0.81 113.62 110.77 3fdu n SER 144 Ca 0.08 0.09 0.12 0.00 -0.26 0.00 0.00 58.87 58.91 3fdu n SER 144 Cb 0.12 -0.31 0.22 0.00 -0.26 0.00 0.00 64.21 63.98 3fdu n SER 144 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fdu n LEU 145 N -1.31 1.67 0.00 1.04 4.77 -0.34 -4.93 117.00 117.91 3fdu n LEU 145 Ca 0.08 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3fdu n LEU 145 Cb 0.14 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3fdu n LEU 145 CO 0.13 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3fdu n GLY 146 N 1.35 0.41 0.00 -0.72 0.00 0.01 -5.04 105.19 101.20 3fdu n GLY 146 Ca 0.12 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3fdu n GLY 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fdu n LEU 147 N 0.00 0.00 -3.86 0.99 4.77 -0.67 -4.92 117.00 113.30 3fdu n LEU 147 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3fdu n LEU 147 Cb 0.18 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3fdu n LEU 147 CO 0.00 0.00 0.45 -0.94 -1.33 0.00 0.00 177.39 175.57 3fdu s SER 148 N -0.83 0.10 0.70 -1.43 1.04 -1.26 -4.68 113.70 107.34 3fdu s SER 148 Ca 0.00 -1.12 -0.16 0.00 0.48 0.00 0.00 55.95 55.16 3fdu s SER 148 Cb 0.00 0.80 0.02 0.00 0.10 0.00 0.00 66.02 66.94 3fdu s SER 148 CO 0.00 -1.57 1.23 -2.84 0.98 0.00 0.00 173.24 171.04 3fdu s PRO 149 N -2.71 2.29 0.23 4.02 0.02 -1.26 -4.84 135.00 132.75 3fdu s PRO 149 Ca 0.17 1.84 0.01 0.00 0.02 0.00 0.00 61.00 63.04 3fdu s PRO 149 Cb -0.04 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.59 3fdu s PRO 149 CO 0.12 -1.74 0.08 -1.83 -0.33 0.00 0.00 177.00 173.29 3fdu s GLU 150 N -3.74 1.32 -0.72 5.54 -1.05 -1.26 -4.73 118.70 114.07 3fdu s GLU 150 Ca 0.76 -1.70 0.00 0.00 -0.15 0.00 0.00 54.97 53.89 3fdu s GLU 150 Cb -0.31 -0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.15 3fdu s GLU 150 CO 0.43 -0.26 0.00 0.41 0.95 0.00 0.00 175.26 176.79 3fdu n GLY 151 N -0.40 0.85 2.20 -3.83 0.00 -1.26 -2.36 105.19 100.39 3fdu n GLY 151 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 3fdu n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fdu n GLY 152 N -1.37 0.48 0.22 -0.02 0.00 -1.26 -4.91 105.19 98.33 3fdu n GLY 152 Ca -0.07 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.79 3fdu n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fdu h ALA 153 N 0.00 1.66 -0.15 4.61 0.00 -1.84 1.00 119.26 124.53 3fdu h ALA 153 Ca -0.02 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3fdu h ALA 153 Cb 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3fdu h ALA 153 CO 0.04 0.26 0.21 0.66 0.00 0.00 0.00 179.25 180.41 3fdu h SER 154 N 0.03 0.00 0.00 0.00 4.64 -1.91 -0.92 113.55 115.39 3fdu h SER 154 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3fdu h SER 154 Cb 0.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 3fdu h SER 154 CO 0.02 0.00 -1.55 0.00 -0.87 0.00 0.00 176.83 174.43 3fdu n GLN 155 N -3.59 0.29 -0.18 4.77 6.02 -0.72 -4.44 117.38 119.53 3fdu n GLN 155 Ca 0.01 0.13 -0.04 0.00 -0.01 0.00 0.00 57.00 57.08 3fdu n GLN 155 Cb 0.32 -1.00 0.14 0.00 1.02 0.00 0.00 30.24 30.72 3fdu n GLN 155 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3fdu h LEU 156 N -0.51 0.89 -0.47 1.08 3.38 -0.83 -1.35 115.31 117.50 3fdu h LEU 156 Ca -0.29 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.34 3fdu h LEU 156 Cb 1.16 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3fdu h LEU 156 CO -0.18 0.86 -0.51 0.25 0.09 0.00 0.00 178.44 178.96 3fdu h LEU 157 N 0.91 0.75 -0.62 1.67 5.85 -1.36 -1.04 115.31 121.46 3fdu h LEU 157 Ca 0.20 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.55 3fdu h LEU 157 Cb 0.32 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3fdu h LEU 157 CO -0.00 1.12 0.41 0.58 -0.34 0.00 0.00 178.44 180.21 3fdu h VAL 158 N 0.54 1.14 -0.44 1.05 2.07 -1.58 -0.49 116.25 118.53 3fdu h VAL 158 Ca 0.02 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.11 3fdu h VAL 158 Cb 1.06 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3fdu h VAL 158 CO 0.10 0.15 -0.29 0.11 0.02 0.00 0.00 177.57 177.66 3fdu h LYS 159 N 0.82 0.98 0.02 1.57 1.57 -1.14 0.25 116.57 120.64 3fdu h LYS 159 Ca 0.23 -0.46 -0.16 0.00 -1.87 0.00 0.00 60.65 58.40 3fdu h LYS 159 Cb -0.07 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.25 3fdu h LYS 159 CO -0.06 1.13 -0.62 0.37 -0.57 0.00 0.00 179.45 179.70 3fdu h GLN 160 N 0.83 0.39 0.00 3.15 5.75 -1.02 -3.35 115.11 120.86 3fdu h GLN 160 Ca 0.09 -0.44 0.00 0.00 -0.15 0.00 0.00 58.65 58.15 3fdu h GLN 160 Cb 0.88 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.56 3fdu h GLN 160 CO 0.08 1.12 -1.00 0.00 -2.65 0.00 0.00 178.83 176.37 3fdu n ALA 161 N -2.60 4.68 0.00 3.38 0.00 -0.21 -4.56 120.51 121.20 3fdu n ALA 161 Ca -0.11 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.75 3fdu n ALA 161 Cb 0.69 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.38 3fdu n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fdu n GLY 162 N 1.49 -1.38 0.13 0.00 0.00 0.08 -4.47 105.19 101.04 3fdu n GLY 162 Ca 0.04 -1.53 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 3fdu n GLY 162 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fdu h TYR 163 N 0.00 -0.23 -0.47 1.61 3.20 -1.89 -2.00 116.97 117.19 3fdu h TYR 163 Ca 0.00 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.89 3fdu h TYR 163 Cb 0.00 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3fdu h TYR 163 CO 0.00 -0.10 0.28 0.45 -1.64 0.00 0.00 178.16 177.14 3fdu h HIS 164 N -0.29 0.52 -0.41 -3.82 3.86 -1.94 -0.14 115.15 112.93 3fdu h HIS 164 Ca -0.03 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.09 3fdu h HIS 164 Cb 0.23 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 3fdu h HIS 164 CO -0.05 0.30 -0.16 -0.22 0.86 0.00 0.00 177.93 178.65 3fdu h LYS 165 N 0.56 0.83 -0.27 2.45 1.63 -1.77 0.43 116.57 120.42 3fdu h LYS 165 Ca 0.19 -0.35 0.06 0.00 -0.85 0.00 0.00 60.65 59.70 3fdu h LYS 165 Cb 0.02 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.56 3fdu h LYS 165 CO -0.09 0.98 -0.10 0.00 -3.45 0.00 0.00 179.45 176.79 3fdu h ALA 166 N 0.83 0.13 -0.67 5.00 0.00 -1.15 -0.85 119.26 122.54 3fdu h ALA 166 Ca 0.10 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3fdu h ALA 166 Cb 0.71 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3fdu h ALA 166 CO 0.05 -0.50 0.39 0.00 0.00 0.00 0.00 179.25 179.19 3fdu h ALA 167 N 1.19 0.89 -0.39 0.00 0.00 -0.80 0.54 119.26 120.68 3fdu h ALA 167 Ca 0.14 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3fdu h ALA 167 Cb 0.26 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3fdu h ALA 167 CO -0.31 0.11 0.17 1.49 0.00 0.00 0.00 179.25 180.72 3fdu h GLU 168 N 0.75 0.34 -0.05 0.00 4.81 -0.52 0.23 114.58 120.14 3fdu h GLU 168 Ca 0.28 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.27 3fdu h GLU 168 Cb 0.11 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.41 3fdu h GLU 168 CO -0.14 0.23 -0.88 -0.07 -0.73 0.00 0.00 179.01 177.41 3fdu h LEU 169 N 0.35 0.66 0.11 1.64 3.38 -0.74 -3.02 115.31 117.69 3fdu h LEU 169 Ca 0.17 -0.48 -0.22 0.00 0.09 0.00 0.00 57.88 57.44 3fdu h LEU 169 Cb 0.11 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 40.69 3fdu h LEU 169 CO -0.14 1.27 -0.92 -0.07 0.09 0.00 0.00 178.44 178.67 3fdu h LEU 170 N 0.32 0.62 -0.14 1.67 3.38 -0.73 -2.98 115.31 117.45 3fdu h LEU 170 Ca -0.07 -0.87 -0.03 0.00 0.09 0.00 0.00 57.88 57.00 3fdu h LEU 170 Cb 1.50 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 3fdu h LEU 170 CO 0.16 1.43 -0.02 -0.26 0.09 0.00 0.00 178.44 179.84 3fdu h PHE 171 N -0.10 0.29 0.00 1.13 -1.00 -0.66 -3.24 116.94 113.35 3fdu h PHE 171 Ca -0.15 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.58 3fdu h PHE 171 Cb 1.67 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 41.15 3fdu h PHE 171 CO 0.16 0.52 -0.30 1.79 -1.61 0.00 0.00 178.31 178.86 3fdu h THR 172 N -0.02 0.00 -4.54 -1.55 1.35 -1.69 -3.47 112.91 102.99 3fdu h THR 172 Ca 0.04 -0.95 -0.29 0.00 -0.55 0.00 0.00 66.41 64.66 3fdu h THR 172 Cb 0.41 1.80 -0.03 0.00 -1.73 0.00 0.00 68.15 68.59 3fdu h THR 172 CO 0.01 0.00 -0.40 0.00 -0.25 0.00 0.00 175.52 174.88 3fdu n ALA 173 N -2.09 -0.91 -1.71 6.62 0.00 -1.13 -4.94 120.51 116.35 3fdu n ALA 173 Ca 0.03 0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.23 3fdu n ALA 173 Cb 0.53 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.97 3fdu n ALA 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3fdu s LYS 174 N -5.42 3.40 0.50 0.00 -2.85 -1.26 -4.61 119.74 109.49 3fdu s LYS 174 Ca 0.16 1.38 -0.20 0.00 -1.00 0.00 0.00 55.97 56.31 3fdu s LYS 174 Cb -0.08 -2.03 -0.08 0.00 -2.06 0.00 0.00 37.83 33.58 3fdu s LYS 174 CO 0.20 -0.77 1.06 0.15 0.10 0.00 0.00 175.35 176.09 3fdu s LYS 175 N -3.63 3.67 0.12 1.78 1.02 -1.26 -4.30 119.74 117.14 3fdu s LYS 175 Ca 0.67 1.43 -0.13 0.00 0.02 0.00 0.00 55.97 57.97 3fdu s LYS 175 Cb -0.19 -2.07 0.02 0.00 -0.52 0.00 0.00 37.83 35.07 3fdu s LYS 175 CO 0.30 -0.55 0.31 -0.59 -0.92 0.00 0.00 175.35 173.90 3fdu s PHE 176 N -1.93 0.00 0.27 3.18 -0.12 0.40 -4.98 117.98 114.81 3fdu s PHE 176 Ca 0.69 -0.37 0.03 0.00 -0.05 0.00 0.00 56.93 57.23 3fdu s PHE 176 Cb -0.18 0.11 0.05 0.00 -0.63 0.00 0.00 43.02 42.36 3fdu s PHE 176 CO 0.22 -0.66 0.37 0.27 -0.05 0.00 0.00 175.22 175.38 3fdu n ASN 177 N -0.17 0.82 -0.12 1.98 0.23 -1.26 -0.57 115.26 116.16 3fdu n ASN 177 Ca -0.14 -1.62 -0.05 0.00 -0.53 0.00 0.00 54.58 52.23 3fdu n ASN 177 Cb 0.63 -0.21 0.13 0.00 -2.08 0.00 0.00 39.78 38.25 3fdu n ASN 177 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fdu h ALA 178 N 0.10 1.04 -0.41 -2.53 0.00 -1.87 -1.75 119.26 113.85 3fdu h ALA 178 Ca -0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3fdu h ALA 178 Cb 0.54 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3fdu h ALA 178 CO 0.16 0.59 0.14 1.49 0.00 0.00 0.00 179.25 181.64 3fdu h GLU 179 N 0.78 0.63 -0.62 0.00 4.57 -1.95 -0.15 114.58 117.84 3fdu h GLU 179 Ca 0.15 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3fdu h GLU 179 Cb 0.49 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 3fdu h GLU 179 CO 0.02 0.61 0.35 1.15 -1.18 0.00 0.00 179.01 179.97 3fdu h THR 180 N 0.52 1.19 -0.56 0.32 2.02 -1.89 -1.48 112.91 113.02 3fdu h THR 180 Ca 0.13 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.88 3fdu h THR 180 Cb 0.24 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 3fdu h THR 180 CO -0.01 0.21 0.31 0.00 0.37 0.00 0.00 175.52 176.41 3fdu h ALA 181 N 1.17 0.73 0.13 6.16 0.00 -1.13 -0.93 119.26 125.40 3fdu h ALA 181 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3fdu h ALA 181 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3fdu h ALA 181 CO -0.04 -0.00 -0.06 1.25 0.00 0.00 0.00 179.25 180.40 3fdu h LEU 182 N 0.61 -0.15 -0.96 0.00 5.85 -0.79 0.90 115.31 120.77 3fdu h LEU 182 Ca 0.24 -0.12 0.13 0.00 0.84 0.00 0.00 57.88 58.97 3fdu h LEU 182 Cb 0.10 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.08 3fdu h LEU 182 CO -0.14 0.03 0.58 1.56 -0.34 0.00 0.00 178.44 180.14 3fdu h GLN 183 N -0.32 0.87 0.00 1.25 4.20 -1.13 -1.16 115.11 118.81 3fdu h GLN 183 Ca -0.02 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3fdu h GLN 183 Cb 0.26 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3fdu h GLN 183 CO 0.03 0.58 0.00 0.00 -0.67 0.00 0.00 178.83 178.76 3fdu n ALA 184 N -2.36 2.28 -1.00 3.87 0.00 -0.37 -4.91 120.51 118.04 3fdu n ALA 184 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3fdu n ALA 184 Cb 0.38 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3fdu n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fdu n GLY 185 N 0.61 0.45 0.15 0.00 0.00 -0.44 -3.32 105.19 102.63 3fdu n GLY 185 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 3fdu n GLY 185 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fdu h LEU 186 N 0.00 0.00 -8.31 0.99 3.38 -1.08 -3.44 115.31 106.86 3fdu h LEU 186 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3fdu h LEU 186 Cb 0.14 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.57 3fdu h LEU 186 CO 0.00 0.53 -0.85 -0.69 0.09 0.00 0.00 178.44 177.52 3fdu s VAL 187 N -3.31 1.65 0.17 1.22 1.01 -1.19 -4.73 120.40 115.23 3fdu s VAL 187 Ca 0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 3fdu s VAL 187 Cb 0.10 -1.41 -0.10 0.00 0.00 0.00 0.00 36.38 34.97 3fdu s VAL 187 CO 0.73 0.47 1.44 0.78 0.00 0.00 0.00 175.10 178.51 3fdu h ASN 188 N 6.23 0.57 -3.56 3.32 4.21 -0.86 -3.40 115.58 122.09 3fdu h ASN 188 Ca -0.32 -0.36 0.02 0.00 1.21 0.00 0.00 56.30 56.85 3fdu h ASN 188 Cb 1.18 -0.17 -0.24 0.00 -1.12 0.00 0.00 38.32 37.97 3fdu h ASN 188 CO 0.47 1.10 0.32 -0.70 -1.29 0.00 0.00 177.43 177.33 3fdu s GLU 189 N -3.73 0.65 -0.18 0.81 2.12 -1.23 -5.06 118.70 112.08 3fdu s GLU 189 Ca -0.07 0.76 -0.14 0.00 0.36 0.00 0.00 54.97 55.88 3fdu s GLU 189 Cb 0.10 0.32 -0.04 0.00 0.26 0.00 0.00 34.13 34.77 3fdu s GLU 189 CO 0.85 -0.08 0.33 0.42 -0.54 0.00 0.00 175.26 176.24 3fdu s ILE 190 N 0.27 5.27 0.21 -3.70 1.01 -1.26 -2.97 121.20 120.02 3fdu s ILE 190 Ca 0.02 0.59 -0.00 0.00 0.00 0.00 0.00 60.65 61.26 3fdu s ILE 190 Cb -0.05 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 3fdu s ILE 190 CO -0.03 0.33 0.12 0.68 0.00 0.00 0.00 174.94 176.03 3fdu s VAL 191 N 0.86 0.17 0.04 2.92 -7.23 -0.41 -5.00 120.40 111.75 3fdu s VAL 191 Ca 0.17 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.14 3fdu s VAL 191 Cb -0.14 -2.51 -0.14 0.00 0.56 0.00 0.00 36.38 34.16 3fdu s VAL 191 CO 0.06 -0.03 1.39 1.05 -0.31 0.00 0.00 175.10 177.25 3fdu h GLU 192 N 2.57 0.33 -3.38 4.82 9.09 -1.98 -3.39 114.58 122.64 3fdu h GLU 192 Ca -0.37 -0.15 -0.62 0.00 0.05 0.00 0.00 59.36 58.28 3fdu h GLU 192 Cb 1.25 -0.01 -0.40 0.00 -1.65 0.00 0.00 28.75 27.94 3fdu h GLU 192 CO 0.56 0.66 -0.71 0.34 0.05 0.00 0.00 179.01 179.91 3fdu s ASP 193 N -6.00 4.02 0.18 3.06 2.15 -1.26 -4.94 116.67 113.88 3fdu s ASP 193 Ca -0.14 -2.53 -0.13 0.00 0.43 0.00 0.00 52.55 50.18 3fdu s ASP 193 Cb 0.05 -1.24 0.09 0.00 -0.30 0.00 0.00 42.92 41.52 3fdu s ASP 193 CO 0.74 -0.29 1.83 0.00 -0.17 0.00 0.00 175.17 177.28 3fdu h ALA 194 N 6.97 0.77 -0.30 3.66 0.00 -1.87 -1.29 119.26 127.20 3fdu h ALA 194 Ca -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3fdu h ALA 194 Cb 0.94 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3fdu h ALA 194 CO 0.54 0.24 0.12 1.88 0.00 0.00 0.00 179.25 182.03 3fdu h TYR 195 N 0.82 0.46 -0.58 0.00 0.05 -1.93 -0.45 116.97 115.35 3fdu h TYR 195 Ca 0.22 -0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.91 3fdu h TYR 195 Cb -0.05 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.53 3fdu h TYR 195 CO -0.02 0.45 0.12 0.00 -1.05 0.00 0.00 178.16 177.66 3fdu h ALA 196 N 0.96 1.13 -0.22 3.88 0.00 -1.97 -2.27 119.26 120.77 3fdu h ALA 196 Ca 0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3fdu h ALA 196 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3fdu h ALA 196 CO -0.01 0.58 -0.00 1.15 0.00 0.00 0.00 179.25 180.97 3fdu h THR 197 N 0.87 1.26 -0.35 0.00 2.02 -1.03 0.34 112.91 116.01 3fdu h THR 197 Ca 0.19 -0.89 0.08 0.00 0.77 0.00 0.00 66.41 66.55 3fdu h THR 197 Cb 0.34 1.41 -0.08 0.00 -1.74 0.00 0.00 68.15 68.08 3fdu h THR 197 CO 0.00 0.28 -0.16 0.00 0.37 0.00 0.00 175.52 176.01 3fdu h ALA 198 N 0.80 0.12 -0.48 6.16 0.00 -0.95 -0.65 119.26 124.26 3fdu h ALA 198 Ca 0.06 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3fdu h ALA 198 Cb 0.41 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3fdu h ALA 198 CO 0.01 -0.53 0.31 0.37 0.00 0.00 0.00 179.25 179.41 3fdu h GLN 199 N -0.09 0.64 -0.83 0.00 5.75 -1.26 0.91 115.11 120.23 3fdu h GLN 199 Ca 0.18 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 3fdu h GLN 199 Cb 0.37 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 3fdu h GLN 199 CO -0.42 0.44 0.39 0.00 -2.65 0.00 0.00 178.83 176.60 3fdu h ALA 200 N 1.16 1.13 -0.39 3.38 0.00 -0.39 -0.08 119.26 124.08 3fdu h ALA 200 Ca 0.18 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3fdu h ALA 200 Cb -0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3fdu h ALA 200 CO -0.04 0.65 -0.19 1.15 0.00 0.00 0.00 179.25 180.83 3fdu h THR 201 N 1.18 1.28 -0.31 0.00 2.02 -0.75 -1.72 112.91 114.61 3fdu h THR 201 Ca 0.28 -1.32 0.05 0.00 0.77 0.00 0.00 66.41 66.20 3fdu h THR 201 Cb 0.12 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 3fdu h THR 201 CO -0.04 0.44 0.01 0.00 0.37 0.00 0.00 175.52 176.30 3fdu h ALA 202 N 0.81 0.29 -0.73 6.16 0.00 -0.49 -0.58 119.26 124.71 3fdu h ALA 202 Ca 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3fdu h ALA 202 Cb 0.74 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3fdu h ALA 202 CO 0.06 -0.40 0.42 1.96 0.00 0.00 0.00 179.25 181.29 3fdu h GLN 203 N 0.10 1.00 -0.17 0.00 4.20 -0.86 -1.21 115.11 118.17 3fdu h GLN 203 Ca 0.15 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3fdu h GLN 203 Cb 0.20 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3fdu h GLN 203 CO -0.25 0.72 0.10 1.25 -0.67 0.00 0.00 178.83 179.98 3fdu h HIS 204 N 1.02 0.22 -0.56 2.96 2.76 -0.36 -2.83 115.15 118.36 3fdu h HIS 204 Ca 0.26 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 3fdu h HIS 204 Cb -0.01 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 28.85 3fdu h HIS 204 CO 0.01 0.20 0.30 -0.07 -1.30 0.00 0.00 177.93 177.06 3fdu h LEU 205 N 0.18 0.69 -1.63 0.26 3.38 -0.70 -2.17 115.31 115.32 3fdu h LEU 205 Ca 0.06 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3fdu h LEU 205 Cb 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3fdu h LEU 205 CO -0.01 0.57 -0.20 0.71 0.09 0.00 0.00 178.44 179.60 3fdu h THR 206 N 0.78 1.08 0.00 0.22 1.35 -1.05 -1.67 112.91 113.62 3fdu h THR 206 Ca 0.20 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3fdu h THR 206 Cb 0.04 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 3fdu h THR 206 CO -0.03 0.19 0.00 0.00 -0.25 0.00 0.00 175.52 175.43 3fdu h ALA 207 N 1.80 1.00 -2.23 6.62 0.00 -1.15 -3.44 119.26 121.86 3fdu h ALA 207 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 3fdu h ALA 207 Cb 0.36 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.18 3fdu h ALA 207 CO 0.03 0.00 0.01 -0.51 0.00 0.00 0.00 179.25 178.77 3fdu s LEU 208 N -5.70 3.65 0.13 0.00 1.43 -0.63 -5.02 118.68 112.54 3fdu s LEU 208 Ca 0.02 0.64 -0.31 0.00 -1.03 0.00 0.00 54.13 53.44 3fdu s LEU 208 Cb 0.09 -3.53 -0.10 0.00 0.03 0.00 0.00 46.19 42.68 3fdu s LEU 208 CO 0.50 -0.63 1.64 -2.16 0.23 0.00 0.00 176.35 175.94 3fdu s PRO 209 N -4.65 4.19 0.31 1.29 0.04 -1.26 -4.91 135.00 130.00 3fdu s PRO 209 Ca 0.47 2.41 0.05 0.00 0.04 0.00 0.00 61.00 63.97 3fdu s PRO 209 Cb -0.10 -3.34 0.50 0.00 0.04 0.00 0.00 34.50 31.60 3fdu s PRO 209 CO 0.41 -0.69 1.76 1.25 0.04 0.00 0.00 177.00 179.77 3fdu h LEU 210 N 7.56 0.37 -1.09 -3.56 6.46 -1.91 -2.91 115.31 120.24 3fdu h LEU 210 Ca -0.43 -0.12 -0.09 0.00 -0.12 0.00 0.00 57.88 57.12 3fdu h LEU 210 Cb 1.20 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.02 3fdu h LEU 210 CO 0.93 0.63 -0.43 0.00 -0.62 0.00 0.00 178.44 178.95 3fdu h ALA 211 N 1.40 1.18 -0.21 1.25 0.00 -1.99 -0.83 119.26 120.06 3fdu h ALA 211 Ca 0.05 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 3fdu h ALA 211 Cb 0.64 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3fdu h ALA 211 CO 0.05 0.54 -0.18 0.77 0.00 0.00 0.00 179.25 180.43 3fdu h SER 212 N 0.00 0.52 -0.45 0.00 0.02 -1.92 -1.57 113.55 110.15 3fdu h SER 212 Ca -0.00 -0.46 -0.05 0.00 -0.84 0.00 0.00 61.79 60.44 3fdu h SER 212 Cb 0.82 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 3fdu h SER 212 CO 0.06 0.87 0.09 -0.07 -1.14 0.00 0.00 176.83 176.63 3fdu h LEU 213 N 0.18 0.71 -0.16 5.07 3.38 -1.37 0.46 115.31 123.57 3fdu h LEU 213 Ca 0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3fdu h LEU 213 Cb 0.71 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3fdu h LEU 213 CO 0.05 0.78 0.08 0.50 0.09 0.00 0.00 178.44 179.93 3fdu h LYS 214 N 0.61 0.23 -0.27 1.13 3.64 -1.20 -0.63 116.57 120.09 3fdu h LYS 214 Ca 0.14 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 3fdu h LYS 214 Cb 0.36 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3fdu h LYS 214 CO 0.01 0.27 -0.22 0.37 -2.27 0.00 0.00 179.45 177.60 3fdu h GLN 215 N 0.14 0.50 -0.20 1.90 5.75 -1.13 -2.00 115.11 120.07 3fdu h GLN 215 Ca 0.06 -0.18 -0.16 0.00 -0.15 0.00 0.00 58.65 58.22 3fdu h GLN 215 Cb 0.11 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.63 3fdu h GLN 215 CO -0.01 0.69 -0.51 1.15 -2.65 0.00 0.00 178.83 177.50 3fdu h THR 216 N 0.44 1.31 -0.37 2.39 2.02 -0.70 -2.68 112.91 115.33 3fdu h THR 216 Ca 0.07 -1.74 -0.10 0.00 0.77 0.00 0.00 66.41 65.41 3fdu h THR 216 Cb 0.63 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 3fdu h THR 216 CO 0.05 0.55 -0.18 0.50 0.37 0.00 0.00 175.52 176.80 3fdu h LYS 217 N 0.41 0.69 -0.54 6.66 3.64 -0.95 -2.29 116.57 124.18 3fdu h LYS 217 Ca -0.01 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.05 3fdu h LYS 217 Cb 1.13 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 3fdu h LYS 217 CO 0.11 0.82 0.02 0.00 -2.27 0.00 0.00 179.45 178.14 3fdu h ALA 218 N 1.19 0.73 -0.53 5.00 0.00 -1.30 0.68 119.26 125.03 3fdu h ALA 218 Ca 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3fdu h ALA 218 Cb 0.64 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3fdu h ALA 218 CO 0.05 0.53 0.26 -0.07 0.00 0.00 0.00 179.25 180.01 3fdu h LEU 219 N 0.82 0.69 -1.41 0.00 3.38 -1.41 -1.64 115.31 115.75 3fdu h LEU 219 Ca 0.16 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3fdu h LEU 219 Cb 0.50 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3fdu h LEU 219 CO 0.02 0.63 -0.03 0.24 0.09 0.00 0.00 178.44 179.39 3fdu h MET 220 N 0.71 0.34 -0.97 1.13 2.86 -1.13 -2.87 114.93 115.01 3fdu h MET 220 Ca 0.18 -0.06 -0.64 0.00 -2.06 0.00 0.00 59.70 57.12 3fdu h MET 220 Cb 0.12 -0.05 -0.34 0.00 0.06 0.00 0.00 31.60 31.38 3fdu h MET 220 CO -0.02 0.40 0.25 1.63 1.06 0.00 0.00 176.91 180.23 3fdu n LYS 221 N -4.32 3.04 0.27 1.72 5.02 0.21 -4.68 118.16 119.43 3fdu n LYS 221 Ca 0.00 -3.64 0.18 0.00 -2.02 0.00 0.00 58.31 52.83 3fdu n LYS 221 Cb 0.22 -2.28 0.94 0.00 -0.02 0.00 0.00 35.03 33.89 3fdu n LYS 221 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 3fdu h HIS 222 N 2.12 0.00 -0.72 2.13 2.07 -1.07 -1.29 115.15 118.40 3fdu h HIS 222 Ca 0.52 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.71 3fdu h HIS 222 Cb 1.03 0.00 -0.19 0.00 2.57 0.00 0.00 27.41 30.82 3fdu h HIS 222 CO 1.20 0.00 0.41 -0.40 -3.07 0.00 0.00 177.93 176.07 3fdu n ASP 223 N -3.57 3.84 -0.26 3.10 5.75 -1.26 -4.63 116.55 119.51 3fdu n ASP 223 Ca -0.01 -3.15 0.02 0.00 -0.01 0.00 0.00 54.79 51.63 3fdu n ASP 223 Cb 0.21 -0.74 0.15 0.00 -1.03 0.00 0.00 41.12 39.70 3fdu n ASP 223 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3fdu h LEU 224 N 1.46 0.57 -0.66 -2.12 5.85 -1.61 -1.69 115.31 117.11 3fdu h LEU 224 Ca 0.40 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.22 3fdu h LEU 224 Cb 2.31 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 43.23 3fdu h LEU 224 CO 0.77 0.33 0.37 0.44 -0.34 0.00 0.00 178.44 180.01 3fdu h ASP 225 N 0.70 0.55 -0.75 1.25 3.32 -1.86 -0.79 116.42 118.82 3fdu h ASP 225 Ca 0.36 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 3fdu h ASP 225 Cb 0.34 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3fdu h ASP 225 CO -0.25 0.36 0.43 1.56 -1.72 0.00 0.00 179.24 179.62 3fdu h GLN 226 N 0.68 1.04 -0.48 3.56 7.50 -1.71 -0.77 115.11 124.93 3fdu h GLN 226 Ca 0.29 -0.11 -0.02 0.00 0.50 0.00 0.00 58.65 59.31 3fdu h GLN 226 Cb 0.17 -0.21 -0.02 0.00 0.05 0.00 0.00 27.48 27.47 3fdu h GLN 226 CO -0.18 0.75 0.21 0.82 -1.50 0.00 0.00 178.83 178.94 3fdu h ILE 227 N 1.06 1.20 -0.52 2.54 2.04 -0.45 -0.21 117.51 123.17 3fdu h ILE 227 Ca 0.27 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 3fdu h ILE 227 Cb -0.00 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3fdu h ILE 227 CO -0.05 0.23 0.09 0.40 0.00 0.00 0.00 178.15 178.82 3fdu h ILE 228 N 0.64 1.25 -0.55 -0.67 1.08 -1.01 -1.40 117.51 116.86 3fdu h ILE 228 Ca 0.16 -0.93 0.04 0.00 -0.39 0.00 0.00 64.86 63.74 3fdu h ILE 228 Cb 0.16 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 34.72 3fdu h ILE 228 CO -0.02 0.34 0.30 -0.33 -0.69 0.00 0.00 178.15 177.75 3fdu h GLU 229 N 0.74 0.56 -0.44 2.37 5.08 -0.98 -1.59 114.58 120.33 3fdu h GLU 229 Ca 0.16 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3fdu h GLU 229 Cb 0.40 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3fdu h GLU 229 CO 0.01 0.37 0.21 0.00 -1.00 0.00 0.00 179.01 178.60 3fdu h ILE 231 N 0.56 0.92 -0.27 0.00 2.04 -0.98 -0.63 117.51 119.15 3fdu h ILE 231 Ca 0.15 -0.19 -0.16 0.00 1.00 0.00 0.00 64.86 65.65 3fdu h ILE 231 Cb 0.12 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3fdu h ILE 231 CO -0.02 0.10 -0.48 0.44 0.00 0.00 0.00 178.15 178.19 3fdu h ASP 232 N 0.57 0.80 -0.06 1.72 3.32 -1.01 -1.68 116.42 120.08 3fdu h ASP 232 Ca 0.28 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 3fdu h ASP 232 Cb 0.22 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 3fdu h ASP 232 CO -0.20 1.15 0.02 -0.74 -1.72 0.00 0.00 179.24 177.75 3fdu h HIS 233 N 0.58 0.10 -0.98 4.55 2.76 -0.79 -1.55 115.15 119.82 3fdu h HIS 233 Ca 0.03 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.33 3fdu h HIS 233 Cb 1.05 -0.03 -0.09 0.00 1.55 0.00 0.00 27.41 29.89 3fdu h HIS 233 CO 0.06 0.26 0.62 0.93 -1.30 0.00 0.00 177.93 178.49 3fdu h GLU 234 N -0.09 0.84 -0.60 5.26 5.08 -1.14 -2.58 114.58 121.36 3fdu h GLU 234 Ca 0.02 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3fdu h GLU 234 Cb 0.20 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3fdu h GLU 234 CO -0.00 0.56 0.21 0.00 -1.00 0.00 0.00 179.01 178.77 3fdu h ALA 235 N 1.58 0.78 -0.56 3.43 0.00 -0.65 0.23 119.26 124.07 3fdu h ALA 235 Ca 0.50 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 3fdu h ALA 235 Cb 0.64 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3fdu h ALA 235 CO -0.27 0.43 0.15 1.05 0.00 0.00 0.00 179.25 180.61 3fdu h GLU 236 N 0.84 0.89 -0.31 0.00 4.11 -0.92 0.03 114.58 119.22 3fdu h GLU 236 Ca 0.20 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 3fdu h GLU 236 Cb 0.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3fdu h GLU 236 CO -0.01 0.82 0.16 0.82 0.07 0.00 0.00 179.01 180.87 3fdu h ILE 237 N 0.79 1.15 -0.37 -1.06 2.04 -1.27 -2.21 117.51 116.58 3fdu h ILE 237 Ca 0.18 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.67 3fdu h ILE 237 Cb 0.32 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3fdu h ILE 237 CO -0.00 0.15 0.10 0.15 0.00 0.00 0.00 178.15 178.55 3fdu h PHE 238 N 0.37 0.17 0.00 1.37 3.57 -0.23 -2.57 116.94 119.63 3fdu h PHE 238 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3fdu h PHE 238 Cb 0.10 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 3fdu h PHE 238 CO -0.02 0.05 -0.13 0.52 -2.23 0.00 0.00 178.31 176.50 3fdu h MET 239 N 0.23 0.00 0.00 1.11 2.86 -0.87 -0.88 114.93 117.38 3fdu h MET 239 Ca 0.17 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 3fdu h MET 239 Cb 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 3fdu h MET 239 CO -0.20 0.13 -0.15 1.96 1.06 0.00 0.00 176.91 179.71 3fdu h GLN 240 N 0.00 0.00 0.00 1.72 1.08 -0.97 -3.15 115.11 113.79 3fdu h GLN 240 Ca -0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 3fdu h GLN 240 Cb 0.61 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 3fdu h GLN 240 CO 0.02 0.15 -0.41 0.00 -0.95 0.00 0.00 178.83 177.63 3fdu h ARG 241 N 0.00 0.00 0.00 1.46 3.08 -1.29 -3.52 114.38 114.11 3fdu h ARG 241 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3fdu h ARG 241 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3fdu h ARG 241 CO 0.02 0.68 0.00 0.28 -1.07 0.00 0.00 179.97 179.88