#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fdu s LEU 13 N 0.00 0.41 -0.01 2.41 2.96 -1.26 -1.67 118.68 121.51 3fdu s LEU 13 Ca 0.00 -0.44 -0.23 0.00 -0.22 0.00 0.00 54.13 53.24 3fdu s LEU 13 Cb 0.00 -0.27 -0.05 0.00 0.50 0.00 0.00 46.19 46.37 3fdu s LEU 13 CO 0.00 -0.31 0.70 0.20 -1.32 0.00 0.00 176.35 175.62 3fdu s ASN 14 N 2.10 7.07 -0.05 3.68 0.01 -0.55 -4.92 114.94 122.30 3fdu s ASN 14 Ca 0.03 1.28 0.02 0.00 -0.71 0.00 0.00 52.86 53.48 3fdu s ASN 14 Cb -0.15 -2.42 0.01 0.00 0.41 0.00 0.00 41.25 39.10 3fdu s ASN 14 CO -0.07 -0.02 -0.10 0.00 -1.51 0.00 0.00 177.10 175.40 3fdu s ALA 15 N 0.27 1.02 -0.11 0.60 0.00 -1.26 -0.13 121.76 122.15 3fdu s ALA 15 Ca 0.37 -0.33 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 3fdu s ALA 15 Cb -0.19 -0.45 0.05 0.00 0.00 0.00 0.00 23.12 22.53 3fdu s ALA 15 CO 0.20 0.11 0.23 1.21 0.00 0.00 0.00 175.76 177.51 3fdu s ASN 16 N 0.52 0.14 -0.16 0.00 2.47 -0.41 -5.00 114.94 112.50 3fdu s ASN 16 Ca -0.10 0.50 -0.01 0.00 0.42 0.00 0.00 52.86 53.67 3fdu s ASN 16 Cb -0.13 0.47 -0.01 0.00 -1.45 0.00 0.00 41.25 40.14 3fdu s ASN 16 CO 0.02 -0.20 -0.12 -0.22 -3.72 0.00 0.00 177.10 172.86 3fdu s LEU 17 N 1.85 2.69 -0.11 3.21 2.96 -1.26 0.24 118.68 128.25 3fdu s LEU 17 Ca -0.03 -0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.44 3fdu s LEU 17 Cb -0.11 -1.63 0.05 0.00 0.50 0.00 0.00 46.19 45.00 3fdu s LEU 17 CO -0.08 0.10 0.25 -1.61 -1.32 0.00 0.00 176.35 173.69 3fdu s GLU 18 N 0.74 0.19 -1.49 1.98 8.01 -0.53 -4.93 118.70 122.67 3fdu s GLU 18 Ca -0.05 0.59 -0.12 0.00 0.01 0.00 0.00 54.97 55.40 3fdu s GLU 18 Cb -0.15 -0.10 0.07 0.00 -4.31 0.00 0.00 34.13 29.64 3fdu s GLU 18 CO 0.01 -0.20 1.01 0.41 0.01 0.00 0.00 175.26 176.51 3fdu n GLY 19 N 4.54 -0.50 2.99 -1.39 0.00 -1.26 -1.76 105.19 107.81 3fdu n GLY 19 Ca -0.20 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.75 2.77 3.54 -0.02 0.00 -1.26 -4.95 105.19 103.53 3fdu n GLY 20 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.11 5.12 -0.29 1.61 1.01 -0.73 0.57 120.40 124.59 3fdu s VAL 21 Ca 0.00 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 3fdu s VAL 21 Cb 0.00 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 3fdu s VAL 21 CO 0.00 -0.17 0.49 -0.22 0.00 0.00 0.00 175.10 175.20 3fdu s LEU 22 N 2.12 4.13 -0.18 3.92 2.96 0.37 -1.45 118.68 130.54 3fdu s LEU 22 Ca 0.13 0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 54.29 3fdu s LEU 22 Cb -0.16 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 3fdu s LEU 22 CO 0.12 -0.33 0.04 -0.89 -1.32 0.00 0.00 176.35 173.98 3fdu s THR 23 N 2.30 4.56 -0.17 3.68 2.01 0.14 -0.78 115.64 127.37 3fdu s THR 23 Ca 0.19 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.09 3fdu s THR 23 Cb -0.16 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.32 3fdu s THR 23 CO 0.11 0.46 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.54 3fdu s LEU 24 N 0.47 2.07 -0.25 4.42 1.43 0.12 -1.28 118.68 125.66 3fdu s LEU 24 Ca 0.02 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 3fdu s LEU 24 Cb -0.13 -1.44 0.06 0.00 0.03 0.00 0.00 46.19 44.72 3fdu s LEU 24 CO 0.01 0.00 -0.05 0.00 0.23 0.00 0.00 176.35 176.54 3fdu s ALA 25 N 1.25 2.10 0.01 4.21 0.00 0.82 -1.47 121.76 128.67 3fdu s ALA 25 Ca 0.03 -1.49 -0.30 0.00 0.00 0.00 0.00 51.96 50.20 3fdu s ALA 25 Cb -0.13 -1.49 -0.07 0.00 0.00 0.00 0.00 23.12 21.43 3fdu s ALA 25 CO -0.11 -1.23 1.61 0.42 0.00 0.00 0.00 175.76 176.45 3fdu s ILE 26 N 1.33 3.35 -0.53 0.00 1.01 0.17 -1.47 121.20 125.05 3fdu s ILE 26 Ca -0.05 0.67 0.04 0.00 0.00 0.00 0.00 60.65 61.31 3fdu s ILE 26 Cb -0.19 -3.43 0.17 0.00 0.01 0.00 0.00 42.46 39.02 3fdu s ILE 26 CO -0.07 -0.02 0.39 0.21 0.00 0.00 0.00 174.94 175.45 3fdu s ASN 27 N 2.65 2.98 -0.37 3.58 2.47 -0.67 -0.28 114.94 125.31 3fdu s ASN 27 Ca 0.72 -3.34 0.13 0.00 0.42 0.00 0.00 52.86 50.79 3fdu s ASN 27 Cb -0.36 -0.96 0.40 0.00 -1.45 0.00 0.00 41.25 38.87 3fdu s ASN 27 CO 0.30 -0.14 0.98 -1.14 -3.72 0.00 0.00 177.10 173.38 3fdu n ARG 28 N 2.56 1.08 0.31 0.43 0.63 -1.26 -4.29 116.66 116.12 3fdu n ARG 28 Ca 0.24 -2.85 0.20 0.00 -0.92 0.00 0.00 57.85 54.51 3fdu n ARG 28 Cb 0.42 -1.13 1.05 0.00 0.45 0.00 0.00 32.46 33.24 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 2.82 0.00 0.00 -0.14 0.13 -1.93 0.18 132.00 133.06 3fdu h PRO 29 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 3fdu h PRO 29 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3fdu h PRO 29 CO 0.35 0.00 -0.04 0.93 -0.23 0.00 0.00 178.00 179.01 3fdu h GLU 30 N 0.00 0.00 0.00 0.86 3.07 -2.02 -2.55 114.58 113.94 3fdu h GLU 30 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3fdu h GLU 30 Cb 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 3fdu h GLU 30 CO -0.00 0.04 -0.20 0.00 -1.40 0.00 0.00 179.01 177.45 3fdu n ALA 31 N -2.15 2.01 -3.45 3.43 0.00 -0.04 -5.00 120.51 115.31 3fdu n ALA 31 Ca -0.01 -1.62 -0.20 0.00 0.00 0.00 0.00 53.44 51.61 3fdu n ALA 31 Cb 0.20 -0.35 0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.64 -6.94 -1.80 0.00 5.02 -0.84 -2.40 118.16 110.57 3fdu n LYS 32 Ca 0.07 0.79 -0.14 0.00 -2.02 0.00 0.00 58.31 57.00 3fdu n LYS 32 Cb 0.61 -5.68 -0.04 0.00 -0.02 0.00 0.00 35.03 29.90 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 -2.87 -4.02 -4.73 4.39 4.13 -0.63 -1.25 115.26 110.27 3fdu n ASN 33 Ca -0.12 0.28 -0.42 0.00 1.68 0.00 0.00 54.58 55.99 3fdu n ASN 33 Cb 0.60 -3.59 -0.01 0.00 -1.54 0.00 0.00 39.78 35.25 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 -0.41 2.06 -2.64 5.41 0.00 -1.01 -3.87 120.51 120.04 3fdu n ALA 34 Ca -0.15 0.37 -0.36 0.00 0.00 0.00 0.00 53.44 53.30 3fdu n ALA 34 Cb 0.53 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.54 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 -0.74 4.39 0.13 0.00 1.43 0.52 -4.77 118.68 119.64 3fdu s LEU 35 Ca 0.61 0.74 0.05 0.00 -1.03 0.00 0.00 54.13 54.50 3fdu s LEU 35 Cb -0.53 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 3fdu s LEU 35 CO 0.54 0.26 -0.12 -0.72 0.23 0.00 0.00 176.35 176.54 3fdu s TYR 36 N -1.24 1.30 0.00 0.29 -0.85 -1.26 -0.98 117.35 114.60 3fdu s TYR 36 Ca 0.27 -0.65 0.00 0.00 -0.52 0.00 0.00 57.07 56.17 3fdu s TYR 36 Cb -0.14 -0.67 0.00 0.00 0.38 0.00 0.00 41.96 41.53 3fdu s TYR 36 CO 0.15 0.11 0.00 0.41 -1.52 0.00 0.00 175.55 174.69 3fdu n GLY 37 N 0.23 0.00 0.26 5.49 0.00 -1.26 -0.95 105.19 108.97 3fdu n GLY 37 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 0.35 -0.48 1.61 5.08 -2.00 -2.31 114.58 116.83 3fdu h GLU 38 Ca 0.00 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3fdu h GLU 38 Cb 0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3fdu h GLU 38 CO 0.00 0.23 0.15 1.25 -1.00 0.00 0.00 179.01 179.64 3fdu h LEU 39 N 0.36 0.65 -0.40 1.33 5.85 -1.46 -0.54 115.31 121.11 3fdu h LEU 39 Ca 0.38 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.08 3fdu h LEU 39 Cb 0.58 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 3fdu h LEU 39 CO -0.42 0.62 -0.03 1.88 -0.34 0.00 0.00 178.44 180.16 3fdu h TYR 40 N 0.70 -0.08 -0.39 1.25 0.05 -0.82 -1.72 116.97 115.95 3fdu h TYR 40 Ca 0.16 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.84 3fdu h TYR 40 Cb 0.21 0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 3fdu h TYR 40 CO 0.01 -0.11 -0.30 -0.07 -1.05 0.00 0.00 178.16 176.65 3fdu h LEU 41 N 0.07 0.87 -1.14 3.88 3.38 -1.20 -1.22 115.31 119.95 3fdu h LEU 41 Ca 0.19 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3fdu h LEU 41 Cb 0.28 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3fdu h LEU 41 CO -0.35 1.10 0.53 -0.50 0.09 0.00 0.00 178.44 179.31 3fdu h TRP 42 N 0.71 1.07 -0.29 1.13 6.55 -0.91 0.12 115.95 124.33 3fdu h TRP 42 Ca 0.08 0.01 -0.19 0.00 0.95 0.00 0.00 58.89 59.75 3fdu h TRP 42 Cb 0.85 -0.36 0.00 0.00 -0.86 0.00 0.00 29.16 28.79 3fdu h TRP 42 CO 0.05 0.69 -0.55 0.82 -1.05 0.00 0.00 178.44 178.39 3fdu h ILE 43 N 1.14 1.27 -0.65 1.49 2.04 -1.03 -1.47 117.51 120.31 3fdu h ILE 43 Ca 0.30 -1.73 -0.08 0.00 1.00 0.00 0.00 64.86 64.35 3fdu h ILE 43 Cb -0.10 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3fdu h ILE 43 CO -0.06 0.57 0.08 0.00 0.00 0.00 0.00 178.15 178.74 3fdu h ALA 44 N 0.67 0.93 -0.56 1.87 0.00 -0.94 -0.99 119.26 120.25 3fdu h ALA 44 Ca 0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3fdu h ALA 44 Cb 1.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3fdu h ALA 44 CO 0.12 0.66 0.02 -0.22 0.00 0.00 0.00 179.25 179.84 3fdu h LYS 45 N 1.00 0.97 -0.63 0.00 3.64 -0.74 -0.06 116.57 120.75 3fdu h LYS 45 Ca 0.20 -0.30 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3fdu h LYS 45 Cb 0.46 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 3fdu h LYS 45 CO 0.02 0.96 0.42 0.00 -2.27 0.00 0.00 179.45 178.58 3fdu h ALA 46 N 0.97 0.80 -0.15 5.00 0.00 -0.90 0.40 119.26 125.38 3fdu h ALA 46 Ca 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fdu h ALA 46 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3fdu h ALA 46 CO 0.02 0.23 0.09 -0.07 0.00 0.00 0.00 179.25 179.52 3fdu h LEU 47 N 0.85 0.18 -0.58 0.00 3.38 -0.84 0.21 115.31 118.51 3fdu h LEU 47 Ca 0.23 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.21 3fdu h LEU 47 Cb -0.10 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3fdu h LEU 47 CO -0.05 0.18 0.30 0.44 0.09 0.00 0.00 178.44 179.39 3fdu h ASP 48 N 0.17 0.42 0.32 -0.43 3.32 -0.74 -0.67 116.42 118.80 3fdu h ASP 48 Ca 0.05 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 3fdu h ASP 48 Cb 0.03 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3fdu h ASP 48 CO -0.01 0.27 -0.52 -0.33 -1.72 0.00 0.00 179.24 176.93 3fdu h GLU 49 N 0.56 0.23 -0.60 3.56 5.08 -0.66 -2.61 114.58 120.14 3fdu h GLU 49 Ca 0.26 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3fdu h GLU 49 Cb 0.19 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3fdu h GLU 49 CO -0.19 0.69 0.15 0.00 -1.00 0.00 0.00 179.01 178.66 3fdu h ALA 50 N 1.28 1.12 -0.31 3.43 0.00 0.12 -1.95 119.26 122.94 3fdu h ALA 50 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3fdu h ALA 50 Cb 0.98 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3fdu h ALA 50 CO 0.08 0.59 0.03 0.22 0.00 0.00 0.00 179.25 180.17 3fdu h ASP 51 N 0.90 0.43 0.09 0.00 1.82 -0.76 -2.80 116.42 116.10 3fdu h ASP 51 Ca 0.19 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 3fdu h ASP 51 Cb 0.32 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.22 3fdu h ASP 51 CO -0.00 0.48 -0.11 0.00 -1.61 0.00 0.00 179.24 178.01 3fdu n GLN 52 N -4.32 1.31 -3.31 0.28 6.02 -0.86 -4.83 117.38 111.67 3fdu n GLN 52 Ca 0.01 -0.76 -0.42 0.00 -0.01 0.00 0.00 57.00 55.83 3fdu n GLN 52 Cb 0.21 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 29.90 3fdu n GLN 52 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3fdu s ASN 53 N -2.21 6.24 0.57 1.08 3.84 -0.79 -4.94 114.94 118.72 3fdu s ASN 53 Ca 0.32 -0.27 0.32 0.00 0.21 0.00 0.00 52.86 53.44 3fdu s ASN 53 Cb 0.20 -2.23 1.69 0.00 -0.55 0.00 0.00 41.25 40.36 3fdu s ASN 53 CO 0.41 -0.46 2.15 0.07 -2.79 0.00 0.00 177.10 176.48 3fdu h LYS 54 N 8.54 0.00 0.00 0.43 5.09 -1.87 0.18 116.57 128.94 3fdu h LYS 54 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.46 3fdu h LYS 54 Cb 1.13 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.46 3fdu h LYS 54 CO 0.75 0.06 0.00 -0.44 -2.09 0.00 0.00 179.45 177.74 3fdu h ASP 55 N 0.00 0.00 -3.42 7.07 3.32 -1.94 -3.44 116.42 118.02 3fdu h ASP 55 Ca -0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3fdu h ASP 55 Cb 0.24 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.70 3fdu h ASP 55 CO 0.01 0.00 0.09 -0.69 -1.72 0.00 0.00 179.24 176.93 3fdu s VAL 56 N -3.19 5.04 -0.13 -1.35 1.01 0.64 -4.23 120.40 118.19 3fdu s VAL 56 Ca 0.08 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.21 3fdu s VAL 56 Cb 0.07 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 3fdu s VAL 56 CO 0.64 0.13 -0.13 0.54 0.00 0.00 0.00 175.10 176.28 3fdu n ARG 57 N 4.90 0.32 -4.41 2.72 1.74 0.19 -4.87 116.66 117.26 3fdu n ARG 57 Ca -0.02 0.09 -0.19 0.00 -0.77 0.00 0.00 57.85 56.96 3fdu n ARG 57 Cb 0.50 -1.20 -0.14 0.00 -1.02 0.00 0.00 32.46 30.59 3fdu n ARG 57 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3fdu s VAL 58 N -2.26 0.83 -0.18 1.55 1.01 -0.51 -4.30 120.40 116.53 3fdu s VAL 58 Ca -0.18 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 3fdu s VAL 58 Cb 0.05 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3fdu s VAL 58 CO 0.29 0.17 0.08 -0.69 0.00 0.00 0.00 175.10 174.95 3fdu s VAL 59 N -0.36 4.94 -0.20 2.92 1.01 -0.70 -0.48 120.40 127.53 3fdu s VAL 59 Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3fdu s VAL 59 Cb -0.05 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 3fdu s VAL 59 CO -0.00 0.46 -0.10 -0.69 0.00 0.00 0.00 175.10 174.77 3fdu s VAL 60 N 0.30 2.98 -0.12 2.92 1.01 0.04 -0.68 120.40 126.85 3fdu s VAL 60 Ca 0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3fdu s VAL 60 Cb -0.12 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3fdu s VAL 60 CO -0.00 0.47 -0.03 -0.22 0.00 0.00 0.00 175.10 175.31 3fdu s LEU 61 N 1.26 3.32 0.17 3.92 2.96 0.16 -0.70 118.68 129.77 3fdu s LEU 61 Ca 0.03 -0.03 -0.24 0.00 -0.22 0.00 0.00 54.13 53.67 3fdu s LEU 61 Cb -0.14 -1.77 0.07 0.00 0.50 0.00 0.00 46.19 44.85 3fdu s LEU 61 CO -0.04 0.27 0.98 0.00 -1.32 0.00 0.00 176.35 176.23 3fdu s ARG 62 N -0.25 1.26 0.79 1.98 1.70 -0.54 -2.45 118.95 121.43 3fdu s ARG 62 Ca 0.05 -0.73 -0.12 0.00 -0.47 0.00 0.00 55.73 54.46 3fdu s ARG 62 Cb -0.13 0.40 0.06 0.00 -0.57 0.00 0.00 34.95 34.72 3fdu s ARG 62 CO 0.02 -0.58 1.11 0.20 -1.08 0.00 0.00 175.30 174.97 3fdu s GLY 63 N -3.05 1.62 0.06 3.88 0.00 -1.25 0.44 107.32 109.00 3fdu s GLY 63 Ca 0.15 -0.31 -0.05 0.00 0.00 0.00 0.00 44.72 44.50 3fdu s GLY 63 CO 0.03 0.12 1.08 0.00 0.00 0.00 0.00 173.10 174.33 3fdu h ALA 64 N -1.03 0.11 -3.00 3.20 0.00 -0.83 -3.40 119.26 114.32 3fdu h ALA 64 Ca -0.47 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.51 3fdu h ALA 64 Cb 1.28 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3fdu h ALA 64 CO 0.61 0.99 0.00 0.39 0.00 0.00 0.00 179.25 181.24 3fdu n GLU 65 N -3.53 0.00 0.06 0.00 1.02 -1.26 -5.00 120.64 111.93 3fdu n GLU 65 Ca -0.10 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.17 3fdu n GLU 65 Cb 1.03 0.00 0.49 0.00 -0.02 0.00 0.00 31.44 32.95 3fdu n GLU 65 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3fdu n HIS 66 N 0.00 0.50 -4.23 -0.32 8.25 -1.26 -4.86 115.22 113.31 3fdu n HIS 66 Ca 0.00 0.15 -0.20 0.00 -0.26 0.00 0.00 57.72 57.41 3fdu n HIS 66 Cb 0.00 -0.75 -0.12 0.00 1.12 0.00 0.00 29.99 30.24 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 -3.82 1.86 0.00 0.41 1.01 -1.24 -2.18 116.67 112.71 3fdu s ASP 67 Ca 0.11 -0.61 0.00 0.00 0.71 0.00 0.00 52.55 52.77 3fdu s ASP 67 Cb 0.15 -0.08 0.00 0.00 1.01 0.00 0.00 42.92 44.00 3fdu s ASP 67 CO 0.54 -0.03 0.00 0.33 0.21 0.00 0.00 175.17 176.22 3fdu n PHE 68 N 1.34 0.00 -3.65 4.23 7.35 -0.30 -3.95 117.46 122.48 3fdu n PHE 68 Ca -0.20 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.39 3fdu n PHE 68 Cb 0.54 -0.25 -0.08 0.00 0.35 0.00 0.00 39.48 40.04 3fdu n PHE 68 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 3fdu s THR 69 N -0.65 -0.00 -2.01 -2.13 -1.32 0.37 -4.48 115.64 105.42 3fdu s THR 69 Ca 0.00 0.01 0.17 0.00 -1.21 0.00 0.00 61.69 60.66 3fdu s THR 69 Cb 0.00 -0.94 0.49 0.00 -1.51 0.00 0.00 72.50 70.55 3fdu s THR 69 CO 0.00 0.00 1.66 0.00 -2.21 0.00 0.00 174.62 174.08 3fdu n ALA 70 N 3.74 2.60 0.00 11.08 0.00 -0.38 -1.50 120.51 136.05 3fdu n ALA 70 Ca -0.18 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3fdu n ALA 70 Cb 0.57 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.78 -1.80 3.72 0.00 0.00 -1.25 -4.68 105.19 101.96 3fdu n GLY 71 Ca 0.13 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 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 6.81 0.19 1.61 2.47 -1.26 -0.36 114.94 120.39 3fdu s ASN 72 Ca 0.00 2.35 -0.32 0.00 0.42 0.00 0.00 52.86 55.31 3fdu s ASN 72 Cb 0.00 -2.59 -0.12 0.00 -1.45 0.00 0.00 41.25 37.10 3fdu s ASN 72 CO 0.00 -0.67 1.76 -0.67 -3.72 0.00 0.00 177.10 173.80 3fdu n ASP 73 N 3.97 4.03 0.29 -4.21 2.03 -0.16 -4.81 116.55 117.70 3fdu n ASP 73 Ca 0.12 1.04 0.16 0.00 0.52 0.00 0.00 54.79 56.63 3fdu n ASP 73 Cb 0.42 -1.57 0.91 0.00 -0.72 0.00 0.00 41.12 40.16 3fdu n ASP 73 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 3fdu h MET 74 N 7.24 0.00 0.00 -0.67 4.05 -1.93 -0.26 114.93 123.36 3fdu h MET 74 Ca -0.44 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.96 3fdu h MET 74 Cb 1.21 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.00 3fdu h MET 74 CO 0.96 0.04 -0.11 0.87 0.23 0.00 0.00 176.91 178.89 3fdu h LYS 75 N 0.00 0.00 -0.02 0.39 1.57 -1.97 0.27 116.57 116.80 3fdu h LYS 75 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3fdu h LYS 75 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3fdu h LYS 75 CO 0.01 0.11 -0.03 -0.44 -0.57 0.00 0.00 179.45 178.53 3fdu h ASP 76 N 0.00 0.06 -0.56 0.86 5.19 -1.41 -1.69 116.42 118.88 3fdu h ASP 76 Ca -0.00 -0.53 0.06 0.00 -0.62 0.00 0.00 57.03 55.94 3fdu h ASP 76 Cb 0.33 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 3fdu h ASP 76 CO 0.01 0.58 0.37 -0.26 -3.12 0.00 0.00 179.24 176.83 3fdu h PHE 77 N -0.46 0.52 -0.26 4.55 0.04 -1.30 -1.84 116.94 118.19 3fdu h PHE 77 Ca 0.00 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3fdu h PHE 77 Cb 0.57 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 3fdu h PHE 77 CO 0.11 0.28 0.06 0.52 -0.60 0.00 0.00 178.31 178.69 3fdu h MET 78 N 0.52 0.41 -0.72 1.51 2.86 -0.45 -2.93 114.93 116.13 3fdu h MET 78 Ca 0.24 -0.10 0.14 0.00 -2.06 0.00 0.00 59.70 57.92 3fdu h MET 78 Cb 0.28 -0.05 -0.14 0.00 0.06 0.00 0.00 31.60 31.75 3fdu h MET 78 CO -0.07 0.51 -0.24 0.78 1.06 0.00 0.00 176.91 178.95 3fdu h GLY 79 N 0.24 0.33 1.74 8.32 0.00 -0.47 -2.00 103.07 111.23 3fdu h GLY 79 Ca 0.08 0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.64 3fdu h GLY 79 CO 0.00 -0.26 -0.29 0.74 0.00 0.00 0.00 176.54 176.73 3fdu h PHE 80 N -0.05 0.34 -0.54 5.60 -1.00 -1.29 -1.56 116.94 118.45 3fdu h PHE 80 Ca 0.32 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 61.03 3fdu h PHE 80 Cb 0.55 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 40.00 3fdu h PHE 80 CO -0.63 0.57 0.34 0.28 -1.61 0.00 0.00 178.31 177.26 3fdu h VAL 81 N 0.27 1.15 -0.77 -0.55 2.07 -1.23 -3.49 116.25 113.70 3fdu h VAL 81 Ca 0.04 -0.31 -0.30 0.00 0.82 0.00 0.00 66.70 66.95 3fdu h VAL 81 Cb 0.66 0.39 -0.18 0.00 -1.52 0.00 0.00 31.29 30.65 3fdu h VAL 81 CO 0.05 0.15 0.38 0.00 0.02 0.00 0.00 177.57 178.17 3fdu n GLN 82 N -4.69 3.06 -1.52 1.57 3.00 -0.59 -5.11 117.38 113.10 3fdu n GLN 82 Ca 0.03 -2.81 -0.56 0.00 -0.01 0.00 0.00 57.00 53.65 3fdu n GLN 82 Cb 0.04 -2.13 -0.07 0.00 0.00 0.00 0.00 30.24 28.08 3fdu n GLN 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 3fdu n PRO 88 N -0.42 0.32 -0.24 -1.09 -0.04 -1.26 -5.02 135.00 127.25 3fdu n PRO 88 Ca 0.44 0.12 0.03 0.00 -0.04 0.00 0.00 63.50 64.05 3fdu n PRO 88 Cb 1.41 -1.60 0.16 0.00 -0.04 0.00 0.00 33.50 33.43 3fdu n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fdu h ALA 89 N 3.17 0.99 0.00 0.55 0.00 -1.94 -1.65 119.26 120.37 3fdu h ALA 89 Ca -0.48 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3fdu h ALA 89 Cb 1.40 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3fdu h ALA 89 CO 0.67 -0.17 0.04 0.78 0.00 0.00 0.00 179.25 180.57 3fdu h GLY 90 N 0.47 0.00 -1.66 0.00 0.00 -1.87 -1.01 103.07 99.00 3fdu h GLY 90 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3fdu h GLY 90 CO -0.36 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.12 3fdu n GLN 91 N -2.31 1.85 -2.09 4.80 1.13 -0.62 -4.09 117.38 116.03 3fdu n GLN 91 Ca -0.02 -1.75 -0.41 0.00 -1.94 0.00 0.00 57.00 52.88 3fdu n GLN 91 Cb 0.08 -1.39 -0.02 0.00 0.11 0.00 0.00 30.24 29.01 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 -1.61 2.77 0.26 5.09 1.01 -0.39 -4.73 120.40 122.81 3fdu s VAL 92 Ca 0.25 0.70 -0.02 0.00 0.00 0.00 0.00 61.98 62.91 3fdu s VAL 92 Cb 0.17 -3.45 0.27 0.00 0.00 0.00 0.00 36.38 33.37 3fdu s VAL 92 CO 0.25 0.14 1.67 -0.65 0.00 0.00 0.00 175.10 176.51 3fdu h PRO 93 N 4.25 0.24 -0.37 2.72 0.11 -1.90 -0.56 132.00 136.49 3fdu h PRO 93 Ca -0.47 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.63 3fdu h PRO 93 Cb 1.22 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3fdu h PRO 93 CO 0.71 0.16 0.25 -1.00 -0.21 0.00 0.00 178.00 177.91 3fdu h PRO 94 N 0.25 0.46 -0.10 1.05 0.13 -1.92 -1.42 132.00 130.46 3fdu h PRO 94 Ca 0.47 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 65.42 3fdu h PRO 94 Cb 0.85 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 3fdu h PRO 94 CO -0.57 0.30 -0.57 0.74 -0.23 0.00 0.00 178.00 177.67 3fdu h PHE 95 N 0.47 0.39 -0.35 1.56 0.04 -1.40 -1.81 116.94 115.84 3fdu h PHE 95 Ca 0.14 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3fdu h PHE 95 Cb -0.01 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 3fdu h PHE 95 CO -0.00 0.81 0.19 0.28 -0.60 0.00 0.00 178.31 178.99 3fdu h VAL 96 N 0.24 1.14 -0.47 -0.55 2.07 -1.03 -1.94 116.25 115.71 3fdu h VAL 96 Ca -0.00 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3fdu h VAL 96 Cb 1.08 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3fdu h VAL 96 CO 0.09 0.14 0.22 0.25 0.02 0.00 0.00 177.57 178.29 3fdu h LEU 97 N 0.44 0.62 -0.64 2.57 5.85 -1.15 -1.91 115.31 121.09 3fdu h LEU 97 Ca 0.12 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3fdu h LEU 97 Cb 0.06 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3fdu h LEU 97 CO -0.02 0.59 0.40 -0.07 -0.34 0.00 0.00 178.44 179.00 3fdu h LEU 98 N 0.61 0.75 -0.84 2.25 3.38 -1.23 -1.04 115.31 119.20 3fdu h LEU 98 Ca 0.16 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3fdu h LEU 98 Cb 0.14 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3fdu h LEU 98 CO -0.02 0.57 0.16 0.11 0.09 0.00 0.00 178.44 179.36 3fdu h LYS 99 N 0.87 1.02 -0.57 1.13 1.57 -1.28 0.04 116.57 119.35 3fdu h LYS 99 Ca 0.23 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3fdu h LYS 99 Cb -0.06 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 3fdu h LYS 99 CO -0.05 0.91 0.27 0.77 -0.57 0.00 0.00 179.45 180.78 3fdu h SER 100 N 0.98 0.75 -0.38 0.86 0.02 -1.05 -1.11 113.55 113.62 3fdu h SER 100 Ca 0.21 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3fdu h SER 100 Cb 0.34 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3fdu h SER 100 CO 0.00 0.67 -0.02 0.00 -1.14 0.00 0.00 176.83 176.34 3fdu h ALA 101 N 1.11 0.51 -0.82 3.77 0.00 -1.05 -2.23 119.26 120.56 3fdu h ALA 101 Ca 0.19 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3fdu h ALA 101 Cb 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3fdu h ALA 101 CO -0.02 0.30 0.53 0.00 0.00 0.00 0.00 179.25 180.05 3fdu h ALA 102 N 0.86 1.72 0.00 0.00 0.00 -0.81 -2.91 119.26 118.13 3fdu h ALA 102 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fdu h ALA 102 Cb 0.49 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3fdu h ALA 102 CO 0.02 0.12 -0.70 0.54 0.00 0.00 0.00 179.25 179.23 3fdu n ARG 103 N -4.51 0.18 -1.68 0.00 1.74 -0.44 -4.90 116.66 107.05 3fdu n ARG 103 Ca 0.14 0.03 -0.50 0.00 -0.77 0.00 0.00 57.85 56.74 3fdu n ARG 103 Cb 0.31 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.84 3.11 0.23 0.55 7.94 -0.85 -4.83 117.00 121.31 3fdu n LEU 104 Ca 0.04 1.01 0.12 0.00 -1.11 0.00 0.00 56.01 56.08 3fdu n LEU 104 Cb 0.40 -1.32 0.27 0.00 0.53 0.00 0.00 43.42 43.30 3fdu n LEU 104 CO 0.37 -0.21 0.83 0.77 -1.11 0.00 0.00 177.39 178.04 3fdu h SER 105 N 8.18 0.00 -3.61 1.96 4.64 -1.91 -3.46 113.55 119.35 3fdu h SER 105 Ca -0.48 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.36 3fdu h SER 105 Cb 1.28 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.42 3fdu h SER 105 CO 0.94 0.04 0.14 -0.54 -0.87 0.00 0.00 176.83 176.54 3fdu s LYS 106 N -3.30 3.27 0.46 4.77 1.02 -1.26 -4.52 119.74 120.18 3fdu s LYS 106 Ca 0.05 0.11 -0.24 0.00 0.02 0.00 0.00 55.97 55.92 3fdu s LYS 106 Cb 0.06 -2.33 -0.07 0.00 -0.52 0.00 0.00 37.83 34.97 3fdu s LYS 106 CO 0.65 -0.42 1.31 -2.14 -0.92 0.00 0.00 175.35 173.83 3fdu s PRO 107 N -4.86 3.64 -0.17 -1.68 0.02 -1.26 -4.91 135.00 125.78 3fdu s PRO 107 Ca 0.50 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3fdu s PRO 107 Cb -0.10 -2.53 0.04 0.00 0.02 0.00 0.00 34.50 31.93 3fdu s PRO 107 CO 0.45 -0.76 -0.10 -1.17 -0.33 0.00 0.00 177.00 175.10 3fdu s LEU 108 N -2.91 1.92 -0.13 -5.54 2.96 -1.26 -1.72 118.68 112.00 3fdu s LEU 108 Ca 0.63 -0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 3fdu s LEU 108 Cb -0.38 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 3fdu s LEU 108 CO 0.47 -0.14 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.70 3fdu s ILE 109 N 1.49 3.98 -0.04 6.68 1.01 0.14 -1.27 121.20 133.21 3fdu s ILE 109 Ca 0.01 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.38 3fdu s ILE 109 Cb -0.15 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 3fdu s ILE 109 CO -0.09 0.53 -0.23 -0.63 0.00 0.00 0.00 174.94 174.52 3fdu s ILE 110 N -0.04 2.31 -0.14 2.92 1.01 -0.32 -0.66 121.20 126.28 3fdu s ILE 110 Ca 0.02 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.69 3fdu s ILE 110 Cb -0.13 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.51 3fdu s ILE 110 CO 0.02 0.58 -0.21 0.00 0.00 0.00 0.00 174.94 175.33 3fdu s ALA 111 N -0.52 2.20 -0.16 9.38 0.00 -1.03 -1.07 121.76 130.57 3fdu s ALA 111 Ca 0.07 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 3fdu s ALA 111 Cb -0.11 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 3fdu s ALA 111 CO 0.01 -0.08 -0.10 0.08 0.00 0.00 0.00 175.76 175.67 3fdu s VAL 112 N 0.90 3.19 0.12 0.00 1.01 0.14 -4.31 120.40 121.45 3fdu s VAL 112 Ca -0.05 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.41 3fdu s VAL 112 Cb -0.15 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3fdu s VAL 112 CO -0.03 0.50 -0.19 -0.54 0.00 0.00 0.00 175.10 174.83 3fdu s LYS 113 N 0.66 1.13 5.02 2.72 1.02 -1.26 -2.72 119.74 126.30 3fdu s LYS 113 Ca -0.05 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 54.73 3fdu s LYS 113 Cb -0.15 -1.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.85 3fdu s LYS 113 CO 0.02 0.29 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 3fdu n GLY 114 N 0.89 1.94 3.75 -3.33 0.00 -0.93 -1.15 105.19 106.36 3fdu n GLY 114 Ca -0.18 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 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 3.65 -0.30 1.61 -7.23 -1.26 -1.28 120.40 115.59 3fdu s VAL 115 Ca 0.00 1.59 -0.02 0.00 -1.81 0.00 0.00 61.98 61.74 3fdu s VAL 115 Cb 0.00 -4.01 0.12 0.00 0.56 0.00 0.00 36.38 33.04 3fdu s VAL 115 CO 0.00 0.35 0.20 0.00 -0.31 0.00 0.00 175.10 175.34 3fdu s ALA 116 N -0.90 0.33 -0.03 1.32 0.00 0.13 -0.48 121.76 122.13 3fdu s ALA 116 Ca 0.45 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.49 3fdu s ALA 116 Cb -0.31 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 3fdu s ALA 116 CO 0.38 -1.76 -0.24 0.42 0.00 0.00 0.00 175.76 174.57 3fdu s ILE 117 N 1.99 1.88 0.00 0.00 -1.09 -0.56 -2.42 121.20 121.00 3fdu s ILE 117 Ca 0.11 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.53 3fdu s ILE 117 Cb -0.16 -1.58 0.00 0.00 -1.58 0.00 0.00 42.46 39.14 3fdu s ILE 117 CO -0.29 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.56 3fdu n GLY 118 N 2.68 2.06 0.34 6.18 0.00 0.02 0.37 105.19 116.85 3fdu n GLY 118 Ca -0.16 0.37 0.18 0.00 0.00 0.00 0.00 46.02 46.41 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 0.25 -0.09 -0.61 2.10 -1.95 0.16 117.51 117.38 3fdu h ILE 119 Ca 0.00 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.95 3fdu h ILE 119 Cb 0.00 0.78 -0.00 0.00 -1.09 0.00 0.00 36.82 36.51 3fdu h ILE 119 CO 0.00 0.00 0.06 1.23 -1.08 0.00 0.00 178.15 178.36 3fdu h GLY 120 N 0.00 0.06 0.16 8.18 0.00 -0.36 -1.33 103.07 109.78 3fdu h GLY 120 Ca 0.07 -0.02 -0.32 0.00 0.00 0.00 0.00 47.33 47.05 3fdu h GLY 120 CO -0.00 0.02 -1.79 -0.62 0.00 0.00 0.00 176.54 174.15 3fdu n VAL 121 N -4.52 1.60 0.19 4.60 0.31 0.46 -4.34 118.33 116.63 3fdu n VAL 121 Ca -0.01 -0.30 0.03 0.00 -0.01 0.00 0.00 64.34 64.04 3fdu n VAL 121 Cb 0.13 -1.88 0.38 0.00 -0.91 0.00 0.00 33.84 31.56 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 -0.63 1.22 0.00 2.52 1.35 -1.15 -0.35 112.91 115.87 3fdu h THR 122 Ca -0.45 -1.21 -0.04 0.00 -0.55 0.00 0.00 66.41 64.16 3fdu h THR 122 Cb 1.61 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 69.68 3fdu h THR 122 CO -0.16 0.34 -0.21 -0.29 -0.25 0.00 0.00 175.52 174.95 3fdu h ILE 123 N 0.00 0.83 0.00 6.82 2.10 -1.47 -2.61 117.51 123.18 3fdu h ILE 123 Ca -0.00 -0.80 -0.01 0.00 1.08 0.00 0.00 64.86 65.13 3fdu h ILE 123 Cb 0.63 1.48 -0.00 0.00 -1.09 0.00 0.00 36.82 37.83 3fdu h ILE 123 CO 0.05 0.20 -0.02 -0.07 -1.08 0.00 0.00 178.15 177.22 3fdu h LEU 124 N 0.00 0.00 -0.05 2.19 3.38 -1.25 -0.45 115.31 119.13 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 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3fdu h LEU 124 CO 0.03 0.02 0.00 0.18 0.09 0.00 0.00 178.44 178.76 3fdu n LEU 125 N -4.45 0.05 -0.10 1.67 4.77 -0.98 -2.04 117.00 115.92 3fdu n LEU 125 Ca -0.03 0.51 0.10 0.00 -0.03 0.00 0.00 56.01 56.57 3fdu n LEU 125 Cb 0.11 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 3fdu n LEU 125 CO 0.34 -0.27 0.03 0.00 -1.33 0.00 0.00 177.39 176.15 3fdu n GLN 126 N -1.55 0.24 -2.98 3.23 1.13 -0.19 -4.96 117.38 112.30 3fdu n GLN 126 Ca 0.03 -0.20 -0.39 0.00 -1.94 0.00 0.00 57.00 54.50 3fdu n GLN 126 Cb 0.17 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.97 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 -2.90 3.44 0.15 -1.58 0.00 -0.86 -4.68 121.76 115.33 3fdu s ALA 127 Ca 0.10 0.36 -0.07 0.00 0.00 0.00 0.00 51.96 52.34 3fdu s ALA 127 Cb 0.16 -2.96 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 3fdu s ALA 127 CO 0.81 0.29 1.43 -0.44 0.00 0.00 0.00 175.76 177.85 3fdu h ASP 128 N 4.21 0.79 -3.73 0.00 3.32 -1.48 -3.46 116.42 116.08 3fdu h ASP 128 Ca -0.47 -0.45 -0.24 0.00 0.02 0.00 0.00 57.03 55.89 3fdu h ASP 128 Cb 1.20 -0.23 -0.28 0.00 0.22 0.00 0.00 39.33 40.24 3fdu h ASP 128 CO 0.66 1.21 -0.72 -0.76 -1.72 0.00 0.00 179.24 177.90 3fdu s LEU 129 N -8.45 1.93 -0.03 1.55 1.43 -1.12 -5.06 118.68 108.93 3fdu s LEU 129 Ca -0.09 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3fdu s LEU 129 Cb 0.10 -0.03 0.01 0.00 0.03 0.00 0.00 46.19 46.31 3fdu s LEU 129 CO 0.87 -0.00 -0.08 -0.69 0.23 0.00 0.00 176.35 176.67 3fdu s VAL 130 N 0.07 0.74 -0.02 -1.59 1.01 -1.26 -1.18 120.40 118.17 3fdu s VAL 130 Ca -0.01 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.72 3fdu s VAL 130 Cb -0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 3fdu s VAL 130 CO -0.00 0.25 -0.19 -0.36 0.00 0.00 0.00 175.10 174.80 3fdu s PHE 131 N 0.42 1.75 0.03 5.22 0.08 -0.23 -0.37 117.98 124.87 3fdu s PHE 131 Ca -0.07 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.60 3fdu s PHE 131 Cb -0.11 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.18 3fdu s PHE 131 CO 0.01 -0.07 -0.04 0.00 -0.10 0.00 0.00 175.22 175.02 3fdu s ALA 132 N -0.32 0.24 0.48 5.36 0.00 -1.05 -0.68 121.76 125.79 3fdu s ALA 132 Ca 0.04 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.36 3fdu s ALA 132 Cb -0.09 0.16 0.08 0.00 0.00 0.00 0.00 23.12 23.27 3fdu s ALA 132 CO 0.00 -0.18 0.65 -0.40 0.00 0.00 0.00 175.76 175.84 3fdu n ASP 133 N 1.33 1.67 -0.19 0.00 5.68 -1.10 -1.32 116.55 122.61 3fdu n ASP 133 Ca -0.22 -2.22 0.15 0.00 -0.50 0.00 0.00 54.79 52.00 3fdu n ASP 133 Cb 0.56 -0.35 0.74 0.00 -1.14 0.00 0.00 41.12 40.93 3fdu n ASP 133 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3fdu n ASN 134 N -2.48 0.62 0.20 -1.12 4.13 -1.26 -2.06 115.26 113.29 3fdu n ASN 134 Ca 0.13 -1.10 0.14 0.00 1.68 0.00 0.00 54.58 55.44 3fdu n ASN 134 Cb 0.48 -0.02 0.57 0.00 -1.54 0.00 0.00 39.78 39.28 3fdu n ASN 134 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 3fdu h THR 135 N 0.94 0.00 -2.48 3.41 1.35 -1.95 -3.46 112.91 110.72 3fdu h THR 135 Ca 0.00 -0.39 -0.54 0.00 -0.55 0.00 0.00 66.41 64.92 3fdu h THR 135 Cb 0.24 1.26 0.05 0.00 -1.73 0.00 0.00 68.15 67.98 3fdu h THR 135 CO 0.00 0.00 0.99 0.00 -0.25 0.00 0.00 175.52 176.26 3fdu n ALA 136 N -1.93 2.20 -4.00 6.62 0.00 -0.87 -3.89 120.51 118.64 3fdu n ALA 136 Ca 0.02 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 3fdu n ALA 136 Cb 0.28 -2.50 -0.16 0.00 0.00 0.00 0.00 19.45 17.07 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 1.67 1.64 0.18 0.00 2.96 -0.40 -3.62 118.68 121.10 3fdu s LEU 137 Ca 0.79 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 54.29 3fdu s LEU 137 Cb -0.55 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3fdu s LEU 137 CO 0.36 -0.07 0.01 -0.36 -1.32 0.00 0.00 176.35 174.96 3fdu s PHE 138 N 1.52 2.85 -0.13 5.38 0.08 -0.65 -0.69 117.98 126.34 3fdu s PHE 138 Ca 0.05 -0.14 -0.30 0.00 0.12 0.00 0.00 56.93 56.66 3fdu s PHE 138 Cb -0.13 -1.37 0.10 0.00 -0.57 0.00 0.00 43.02 41.05 3fdu s PHE 138 CO -0.10 0.52 0.87 -1.14 -0.10 0.00 0.00 175.22 175.27 3fdu s GLN 139 N -3.01 0.77 -0.55 0.44 0.74 -1.02 -0.83 119.66 116.21 3fdu s GLN 139 Ca 0.28 0.24 0.04 0.00 0.05 0.00 0.00 55.36 55.97 3fdu s GLN 139 Cb -0.09 0.37 0.14 0.00 1.10 0.00 0.00 33.01 34.53 3fdu s GLN 139 CO 0.19 -0.23 0.31 0.42 -0.55 0.00 0.00 175.29 175.43 3fdu s ILE 140 N -1.01 2.43 -2.01 -2.34 1.01 -1.26 -0.80 121.20 117.22 3fdu s ILE 140 Ca -0.05 -3.42 0.22 0.00 0.00 0.00 0.00 60.65 57.41 3fdu s ILE 140 Cb -0.01 -2.67 0.63 0.00 0.01 0.00 0.00 42.46 40.42 3fdu s ILE 140 CO 0.04 -0.87 1.85 -0.81 0.00 0.00 0.00 174.94 175.15 3fdu n PRO 141 N 2.90 1.03 -0.05 2.79 -0.04 -1.26 -4.35 135.00 136.02 3fdu n PRO 141 Ca 0.09 -0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.42 3fdu n PRO 141 Cb 0.33 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.10 -0.74 -0.68 0.54 0.04 -1.90 -1.01 116.94 113.29 3fdu h PHE 142 Ca 0.00 0.04 0.08 0.00 2.80 0.00 0.00 57.97 60.89 3fdu h PHE 142 Cb 0.02 0.36 -0.06 0.00 2.20 0.00 0.00 35.95 38.47 3fdu h PHE 142 CO 0.00 -0.35 0.35 0.28 -0.60 0.00 0.00 178.31 178.00 3fdu h VAL 143 N -0.28 0.90 0.00 -0.55 2.07 -1.78 0.98 116.25 117.58 3fdu h VAL 143 Ca 0.14 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3fdu h VAL 143 Cb 0.49 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3fdu h VAL 143 CO -0.41 0.11 0.00 0.77 0.02 0.00 0.00 177.57 178.06 3fdu h SER 144 N 0.63 0.00 -0.19 0.57 4.64 -1.53 -2.30 113.55 115.36 3fdu h SER 144 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3fdu h SER 144 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3fdu h SER 144 CO -0.23 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.91 3fdu n LEU 145 N -2.50 2.55 -0.23 5.97 4.77 0.22 -4.92 117.00 122.86 3fdu n LEU 145 Ca 0.01 -1.01 -0.03 0.00 -0.03 0.00 0.00 56.01 54.95 3fdu n LEU 145 Cb 0.21 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3fdu n LEU 145 CO 0.20 0.50 -0.03 0.61 -1.33 0.00 0.00 177.39 177.35 3fdu n GLY 146 N 1.32 0.61 0.00 -0.72 0.00 -0.87 -3.99 105.19 101.54 3fdu n GLY 146 Ca 0.17 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.34 0.00 -3.93 0.99 4.77 -0.48 -4.37 117.00 113.65 3fdu n LEU 147 Ca -0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.85 3fdu n LEU 147 Cb 0.13 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3fdu n LEU 147 CO 0.05 0.00 0.35 -0.94 -1.33 0.00 0.00 177.39 175.52 3fdu s SER 148 N -0.24 0.19 0.75 -1.43 1.04 -1.26 -4.46 113.70 108.28 3fdu s SER 148 Ca 0.00 -1.11 -0.14 0.00 0.48 0.00 0.00 55.95 55.17 3fdu s SER 148 Cb 0.00 0.73 0.05 0.00 0.10 0.00 0.00 66.02 66.90 3fdu s SER 148 CO 0.00 -1.43 1.19 -2.84 0.98 0.00 0.00 173.24 171.14 3fdu s PRO 149 N -3.08 2.06 0.24 4.02 0.02 -1.26 -4.88 135.00 132.13 3fdu s PRO 149 Ca 0.20 1.70 0.02 0.00 0.02 0.00 0.00 61.00 62.94 3fdu s PRO 149 Cb -0.03 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 3fdu s PRO 149 CO 0.13 -1.88 0.17 -1.83 -0.33 0.00 0.00 177.00 173.26 3fdu s GLU 150 N -4.03 1.37 0.00 5.54 -1.05 -1.26 -4.75 118.70 114.53 3fdu s GLU 150 Ca 0.73 -1.75 0.00 0.00 -0.15 0.00 0.00 54.97 53.80 3fdu s GLU 150 Cb -0.28 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.67 3fdu s GLU 150 CO 0.47 -0.46 0.00 0.41 0.95 0.00 0.00 175.26 176.62 3fdu n GLY 151 N -0.38 0.48 2.18 -3.83 0.00 -1.26 -2.30 105.19 100.07 3fdu n GLY 151 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.98 0.74 0.24 -0.02 0.00 -1.26 -4.90 105.19 98.00 3fdu n GLY 152 Ca 0.00 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 1.57 0.00 4.61 0.00 -1.83 0.13 119.26 123.74 3fdu h ALA 153 Ca -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3fdu h ALA 153 Cb 0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3fdu h ALA 153 CO 0.14 0.18 -0.07 0.66 0.00 0.00 0.00 179.25 180.16 3fdu h SER 154 N 0.00 0.00 0.00 0.00 4.64 -1.91 -0.80 113.55 115.48 3fdu h SER 154 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 3fdu h SER 154 Cb 0.29 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.34 3fdu h SER 154 CO 0.02 0.07 -1.98 0.00 -0.87 0.00 0.00 176.83 174.07 3fdu n GLN 155 N -3.44 0.40 0.06 4.77 6.02 -0.67 -4.49 117.38 120.02 3fdu n GLN 155 Ca -0.02 0.13 -0.07 0.00 -0.01 0.00 0.00 57.00 57.03 3fdu n GLN 155 Cb 0.21 -1.25 0.10 0.00 1.02 0.00 0.00 30.24 30.32 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 -0.29 0.40 -0.50 1.08 3.38 -0.71 -1.99 115.31 116.69 3fdu h LEU 156 Ca -0.41 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.16 3fdu h LEU 156 Cb 1.50 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3fdu h LEU 156 CO -0.16 0.90 -0.62 0.25 0.09 0.00 0.00 178.44 178.91 3fdu h LEU 157 N 0.27 0.54 -0.56 1.67 5.85 -1.35 -1.73 115.31 119.99 3fdu h LEU 157 Ca -0.00 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 3fdu h LEU 157 Cb 1.11 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3fdu h LEU 157 CO 0.10 1.02 0.27 0.58 -0.34 0.00 0.00 178.44 180.07 3fdu h VAL 158 N 0.35 1.20 -0.55 1.05 2.07 -1.62 0.23 116.25 118.98 3fdu h VAL 158 Ca -0.01 -0.57 -0.12 0.00 0.82 0.00 0.00 66.70 66.82 3fdu h VAL 158 Cb 1.16 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3fdu h VAL 158 CO 0.11 0.23 -0.10 0.11 0.02 0.00 0.00 177.57 177.94 3fdu h LYS 159 N 0.76 1.05 0.03 1.57 1.57 -1.31 0.12 116.57 120.36 3fdu h LYS 159 Ca 0.19 -0.39 -0.27 0.00 -1.87 0.00 0.00 60.65 58.32 3fdu h LYS 159 Cb 0.11 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.38 3fdu h LYS 159 CO -0.02 1.08 -1.05 0.37 -0.57 0.00 0.00 179.45 179.26 3fdu h GLN 160 N 0.93 0.66 0.00 3.15 5.75 -1.12 -3.36 115.11 121.13 3fdu h GLN 160 Ca 0.14 -0.75 0.00 0.00 -0.15 0.00 0.00 58.65 57.89 3fdu h GLN 160 Cb 0.68 0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.45 3fdu h GLN 160 CO 0.05 1.32 -1.14 0.00 -2.65 0.00 0.00 178.83 176.41 3fdu n ALA 161 N -2.65 3.51 0.00 3.38 0.00 0.05 -4.55 120.51 120.24 3fdu n ALA 161 Ca -0.12 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3fdu n ALA 161 Cb 0.89 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 1.45 -1.38 0.10 0.00 0.00 0.41 -4.36 105.19 101.41 3fdu n GLY 162 Ca 0.01 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.07 1.61 3.20 -1.89 -1.99 116.97 118.06 3fdu h TYR 163 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3fdu h TYR 163 Cb 0.00 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 3fdu h TYR 163 CO 0.00 0.23 0.05 0.45 -1.64 0.00 0.00 178.16 177.24 3fdu h HIS 164 N 0.16 0.09 -0.40 -3.82 3.86 -1.94 -0.75 115.15 112.35 3fdu h HIS 164 Ca 0.06 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.18 3fdu h HIS 164 Cb 0.07 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 3fdu h HIS 164 CO -0.04 0.06 -0.09 -0.22 0.86 0.00 0.00 177.93 178.50 3fdu h LYS 165 N 0.09 0.77 -0.20 2.45 1.63 -1.75 -1.74 116.57 117.83 3fdu h LYS 165 Ca 0.03 -0.29 0.05 0.00 -0.85 0.00 0.00 60.65 59.59 3fdu h LYS 165 Cb -0.01 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.52 3fdu h LYS 165 CO -0.01 0.90 -0.18 0.00 -3.45 0.00 0.00 179.45 176.71 3fdu h ALA 166 N 0.85 -0.06 -0.76 5.00 0.00 -1.18 -0.88 119.26 122.22 3fdu h ALA 166 Ca 0.10 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3fdu h ALA 166 Cb 0.61 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3fdu h ALA 166 CO 0.04 -0.61 0.44 0.00 0.00 0.00 0.00 179.25 179.12 3fdu h ALA 167 N 0.89 1.05 -0.50 0.00 0.00 -1.01 -0.33 119.26 119.36 3fdu h ALA 167 Ca 0.12 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3fdu h ALA 167 Cb 0.38 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3fdu h ALA 167 CO -0.31 0.12 0.26 1.49 0.00 0.00 0.00 179.25 180.81 3fdu h GLU 168 N 0.79 0.49 -0.00 0.00 4.81 -0.79 0.19 114.58 120.07 3fdu h GLU 168 Ca 0.35 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.37 3fdu h GLU 168 Cb 0.24 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3fdu h GLU 168 CO -0.20 0.32 -0.82 -0.07 -0.73 0.00 0.00 179.01 177.51 3fdu h LEU 169 N 0.51 0.13 0.08 1.64 3.38 -0.38 -2.96 115.31 117.70 3fdu h LEU 169 Ca 0.22 -0.10 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 3fdu h LEU 169 Cb 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3fdu h LEU 169 CO -0.15 0.89 -1.19 -0.07 0.09 0.00 0.00 178.44 178.01 3fdu h LEU 170 N 0.06 0.26 -0.47 1.67 3.38 -0.98 -3.12 115.31 116.11 3fdu h LEU 170 Ca -0.02 -0.81 -0.05 0.00 0.09 0.00 0.00 57.88 57.09 3fdu h LEU 170 Cb 1.44 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 3fdu h LEU 170 CO 0.12 1.51 0.10 -0.26 0.09 0.00 0.00 178.44 180.00 3fdu h PHE 171 N -0.52 0.80 0.00 1.13 -1.00 -0.75 -3.17 116.94 113.43 3fdu h PHE 171 Ca -0.27 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.41 3fdu h PHE 171 Cb 1.58 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 40.91 3fdu h PHE 171 CO 0.14 0.73 -0.17 1.79 -1.61 0.00 0.00 178.31 179.19 3fdu h THR 172 N 0.63 0.00 -2.93 -1.55 1.35 -1.68 -3.47 112.91 105.27 3fdu h THR 172 Ca 0.15 -0.96 -0.29 0.00 -0.55 0.00 0.00 66.41 64.76 3fdu h THR 172 Cb 0.34 1.87 -0.04 0.00 -1.73 0.00 0.00 68.15 68.59 3fdu h THR 172 CO 0.00 0.00 -0.34 0.00 -0.25 0.00 0.00 175.52 174.94 3fdu n ALA 173 N -2.09 -0.58 -1.78 6.62 0.00 -1.18 -4.91 120.51 116.59 3fdu n ALA 173 Ca 0.03 0.15 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 3fdu n ALA 173 Cb 0.53 -1.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 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 -4.48 3.82 0.39 0.00 -2.85 -1.26 -4.57 119.74 110.79 3fdu s LYS 174 Ca 0.00 1.16 -0.26 0.00 -1.00 0.00 0.00 55.97 55.87 3fdu s LYS 174 Cb 0.00 -2.11 -0.09 0.00 -2.06 0.00 0.00 37.83 33.57 3fdu s LYS 174 CO 0.00 -0.39 1.29 0.15 0.10 0.00 0.00 175.35 176.50 3fdu s LYS 175 N -3.65 4.05 0.04 1.78 1.02 -1.26 -4.29 119.74 117.42 3fdu s LYS 175 Ca 0.63 2.13 -0.02 0.00 0.02 0.00 0.00 55.97 58.73 3fdu s LYS 175 Cb -0.13 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.35 3fdu s LYS 175 CO 0.26 -0.42 0.02 -0.59 -0.92 0.00 0.00 175.35 173.70 3fdu s PHE 176 N -1.26 0.32 0.65 3.18 -0.12 -0.01 -4.99 117.98 115.75 3fdu s PHE 176 Ca 0.55 -0.70 0.05 0.00 -0.05 0.00 0.00 56.93 56.79 3fdu s PHE 176 Cb -0.38 -0.24 0.11 0.00 -0.63 0.00 0.00 43.02 41.89 3fdu s PHE 176 CO 0.48 -0.32 0.90 0.54 -0.05 0.00 0.00 175.22 176.78 3fdu s ASN 177 N -2.19 4.69 0.27 1.98 2.20 -1.26 -1.64 114.94 118.99 3fdu s ASN 177 Ca -0.04 -0.68 -0.02 0.00 -0.94 0.00 0.00 52.86 51.17 3fdu s ASN 177 Cb -0.01 0.26 0.42 0.00 -2.00 0.00 0.00 41.25 39.92 3fdu s ASN 177 CO -0.05 -1.64 1.90 0.00 -2.94 0.00 0.00 177.10 174.37 3fdu h ALA 178 N -0.18 1.41 -0.33 3.54 0.00 -1.86 -1.67 119.26 120.16 3fdu h ALA 178 Ca -0.32 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 3fdu h ALA 178 Cb 1.28 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3fdu h ALA 178 CO 0.39 0.46 -0.25 1.49 0.00 0.00 0.00 179.25 181.34 3fdu h GLU 179 N 1.17 0.66 -0.50 0.00 4.57 -1.95 0.13 114.58 118.66 3fdu h GLU 179 Ca 0.41 -0.27 -0.07 0.00 -1.18 0.00 0.00 59.36 58.26 3fdu h GLU 179 Cb 0.13 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3fdu h GLU 179 CO -0.15 0.85 0.03 1.15 -1.18 0.00 0.00 179.01 179.70 3fdu h THR 180 N 0.58 1.26 -0.78 0.32 2.02 -1.86 -2.26 112.91 112.18 3fdu h THR 180 Ca 0.08 -1.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.21 3fdu h THR 180 Cb 0.72 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 3fdu h THR 180 CO 0.06 0.36 0.38 0.00 0.37 0.00 0.00 175.52 176.69 3fdu h ALA 181 N 0.95 1.20 0.41 6.16 0.00 -0.90 -2.13 119.26 124.94 3fdu h ALA 181 Ca 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3fdu h ALA 181 Cb 0.47 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3fdu h ALA 181 CO 0.02 0.61 -0.26 1.25 0.00 0.00 0.00 179.25 180.87 3fdu h LEU 182 N 1.11 -0.67 -1.96 0.00 5.85 -0.66 -0.33 115.31 118.65 3fdu h LEU 182 Ca 0.27 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 3fdu h LEU 182 Cb 0.10 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3fdu h LEU 182 CO -0.04 -0.41 -0.06 1.56 -0.34 0.00 0.00 178.44 179.15 3fdu h GLN 183 N -0.65 0.00 -0.00 1.25 4.20 -1.34 -0.72 115.11 117.85 3fdu h GLN 183 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3fdu h GLN 183 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3fdu h GLN 183 CO 0.04 0.06 -0.19 0.00 -0.67 0.00 0.00 178.83 178.07 3fdu n ALA 184 N -2.17 2.89 -0.99 3.87 0.00 -0.81 -4.94 120.51 118.36 3fdu n ALA 184 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3fdu n ALA 184 Cb 0.24 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 1.37 0.63 0.17 0.00 0.00 -0.28 -3.54 105.19 103.54 3fdu n GLY 185 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.32 -8.72 0.99 3.38 -1.28 -3.44 115.31 106.55 3fdu h LEU 186 Ca 0.00 -0.19 -0.67 0.00 0.09 0.00 0.00 57.88 57.11 3fdu h LEU 186 Cb 0.00 -0.09 -0.26 0.00 0.09 0.00 0.00 40.66 40.40 3fdu h LEU 186 CO 0.00 0.86 -0.78 -0.69 0.09 0.00 0.00 178.44 177.92 3fdu s VAL 187 N -3.74 2.95 0.05 1.22 1.01 -1.10 -4.73 120.40 116.06 3fdu s VAL 187 Ca -0.04 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 3fdu s VAL 187 Cb 0.12 -2.19 -0.16 0.00 0.00 0.00 0.00 36.38 34.14 3fdu s VAL 187 CO 0.81 0.56 1.26 0.78 0.00 0.00 0.00 175.10 178.51 3fdu h ASN 188 N 6.08 0.62 -4.20 3.32 4.21 -1.00 -3.40 115.58 121.21 3fdu h ASN 188 Ca -0.35 -0.61 -0.13 0.00 1.21 0.00 0.00 56.30 56.43 3fdu h ASN 188 Cb 1.19 -0.18 -0.23 0.00 -1.12 0.00 0.00 38.32 37.97 3fdu h ASN 188 CO 0.52 1.12 -0.26 -0.70 -1.29 0.00 0.00 177.43 176.82 3fdu s GLU 189 N -3.82 0.52 -0.24 0.81 2.12 -1.23 -5.07 118.70 111.78 3fdu s GLU 189 Ca -0.13 0.32 -0.16 0.00 0.36 0.00 0.00 54.97 55.36 3fdu s GLU 189 Cb 0.06 0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.66 3fdu s GLU 189 CO 0.82 -0.09 0.42 0.42 -0.54 0.00 0.00 175.26 176.29 3fdu s ILE 190 N -0.25 5.16 0.38 -3.70 1.01 -1.26 -2.51 121.20 120.03 3fdu s ILE 190 Ca -0.04 0.72 0.04 0.00 0.00 0.00 0.00 60.65 61.37 3fdu s ILE 190 Cb -0.03 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 3fdu s ILE 190 CO 0.02 0.18 0.09 0.68 0.00 0.00 0.00 174.94 175.90 3fdu s VAL 191 N 1.79 0.91 0.02 2.92 -7.23 -0.44 -4.99 120.40 113.39 3fdu s VAL 191 Ca 0.19 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.18 3fdu s VAL 191 Cb -0.15 -2.52 -0.28 0.00 0.56 0.00 0.00 36.38 33.98 3fdu s VAL 191 CO 0.09 0.00 1.06 -0.33 -0.31 0.00 0.00 175.10 175.61 3fdu h GLU 192 N 1.88 0.52 -3.07 4.82 4.39 -1.98 -3.39 114.58 117.76 3fdu h GLU 192 Ca -0.38 -0.69 -0.59 0.00 0.34 0.00 0.00 59.36 58.04 3fdu h GLU 192 Cb 1.27 0.23 -0.40 0.00 -0.10 0.00 0.00 28.75 29.74 3fdu h GLU 192 CO 0.64 1.29 -0.77 0.34 -1.16 0.00 0.00 179.01 179.35 3fdu s ASP 193 N -7.19 3.61 0.27 1.42 2.15 -1.26 -4.95 116.67 110.73 3fdu s ASP 193 Ca -0.11 -2.07 -0.00 0.00 0.43 0.00 0.00 52.55 50.79 3fdu s ASP 193 Cb 0.04 -0.77 0.51 0.00 -0.30 0.00 0.00 42.92 42.40 3fdu s ASP 193 CO 0.89 -0.34 1.84 0.00 -0.17 0.00 0.00 175.17 177.38 3fdu h ALA 194 N 7.40 1.44 -0.49 3.66 0.00 -1.88 -1.20 119.26 128.20 3fdu h ALA 194 Ca -0.05 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3fdu h ALA 194 Cb 0.97 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3fdu h ALA 194 CO 0.42 0.23 -0.14 1.88 0.00 0.00 0.00 179.25 181.65 3fdu h TYR 195 N 0.98 1.04 -0.13 0.00 0.05 -1.93 -1.51 116.97 115.46 3fdu h TYR 195 Ca 0.47 -0.22 -0.18 0.00 0.05 0.00 0.00 58.73 58.85 3fdu h TYR 195 Cb 0.43 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.91 3fdu h TYR 195 CO -0.01 1.00 -0.67 0.00 -1.05 0.00 0.00 178.16 177.43 3fdu h ALA 196 N 1.01 0.59 -0.24 3.88 0.00 -1.71 -2.48 119.26 120.31 3fdu h ALA 196 Ca 0.13 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3fdu h ALA 196 Cb 0.68 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3fdu h ALA 196 CO 0.05 0.72 0.11 1.15 0.00 0.00 0.00 179.25 181.28 3fdu h THR 197 N 0.38 1.15 -0.57 0.00 2.02 -1.17 0.42 112.91 115.14 3fdu h THR 197 Ca -0.02 -0.43 0.06 0.00 0.77 0.00 0.00 66.41 66.80 3fdu h THR 197 Cb 1.24 0.98 -0.06 0.00 -1.74 0.00 0.00 68.15 68.57 3fdu h THR 197 CO 0.12 0.15 0.27 0.00 0.37 0.00 0.00 175.52 176.43 3fdu h ALA 198 N 0.97 0.75 -0.36 6.16 0.00 -1.27 0.29 119.26 125.80 3fdu h ALA 198 Ca 0.08 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3fdu h ALA 198 Cb 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3fdu h ALA 198 CO -0.01 -0.10 -0.19 0.37 0.00 0.00 0.00 179.25 179.33 3fdu h GLN 199 N 0.51 0.76 -0.43 0.00 5.75 -1.20 0.15 115.11 120.65 3fdu h GLN 199 Ca 0.27 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3fdu h GLN 199 Cb 0.23 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 3fdu h GLN 199 CO -0.21 0.96 0.28 0.00 -2.65 0.00 0.00 178.83 177.20 3fdu h ALA 200 N 0.79 0.54 -0.43 3.38 0.00 -0.55 -0.04 119.26 122.95 3fdu h ALA 200 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3fdu h ALA 200 Cb 0.74 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3fdu h ALA 200 CO 0.06 -0.00 0.13 1.15 0.00 0.00 0.00 179.25 180.59 3fdu h THR 201 N 0.57 1.22 -0.48 0.00 2.02 -0.25 -1.47 112.91 114.53 3fdu h THR 201 Ca 0.16 -0.73 0.07 0.00 0.77 0.00 0.00 66.41 66.67 3fdu h THR 201 Cb -0.06 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 3fdu h THR 201 CO -0.03 0.26 0.15 0.00 0.37 0.00 0.00 175.52 176.27 3fdu h ALA 202 N 0.98 0.57 -0.78 6.16 0.00 -0.47 -0.94 119.26 124.79 3fdu h ALA 202 Ca 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3fdu h ALA 202 Cb 0.27 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3fdu h ALA 202 CO -0.00 -0.24 0.44 1.96 0.00 0.00 0.00 179.25 181.40 3fdu h GLN 203 N 0.32 1.07 -0.55 0.00 4.20 -0.76 0.87 115.11 120.26 3fdu h GLN 203 Ca 0.23 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 3fdu h GLN 203 Cb 0.26 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3fdu h GLN 203 CO -0.25 0.79 -0.00 1.25 -0.67 0.00 0.00 178.83 179.94 3fdu h HIS 204 N 1.07 1.03 -0.46 2.96 2.76 -0.73 -2.77 115.15 119.00 3fdu h HIS 204 Ca 0.27 -0.16 -0.14 0.00 -2.20 0.00 0.00 60.37 58.14 3fdu h HIS 204 Cb 0.01 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.69 3fdu h HIS 204 CO -0.00 0.92 -0.25 -0.07 -1.30 0.00 0.00 177.93 177.23 3fdu h LEU 205 N 0.88 1.02 -1.60 0.26 3.38 -0.70 -2.81 115.31 115.75 3fdu h LEU 205 Ca 0.16 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3fdu h LEU 205 Cb 0.52 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3fdu h LEU 205 CO 0.03 1.21 0.00 0.71 0.09 0.00 0.00 178.44 180.48 3fdu h THR 206 N 0.84 0.00 0.00 0.22 1.35 -0.56 -0.66 112.91 114.11 3fdu h THR 206 Ca 0.10 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 3fdu h THR 206 Cb 0.84 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3fdu h THR 206 CO 0.07 0.00 -0.53 0.00 -0.25 0.00 0.00 175.52 174.82 3fdu n ALA 207 N -1.82 3.42 -2.04 6.62 0.00 -1.06 -4.88 120.51 120.74 3fdu n ALA 207 Ca -0.01 -0.33 -0.23 0.00 0.00 0.00 0.00 53.44 52.87 3fdu n ALA 207 Cb 0.05 -1.13 0.04 0.00 0.00 0.00 0.00 19.45 18.41 3fdu n ALA 207 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fdu s LEU 208 N -3.22 3.26 -0.10 0.00 1.43 -0.26 -5.01 118.68 114.78 3fdu s LEU 208 Ca 0.10 0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 53.10 3fdu s LEU 208 Cb 0.17 -3.03 -0.06 0.00 0.03 0.00 0.00 46.19 43.30 3fdu s LEU 208 CO 0.70 -1.14 1.83 -2.84 0.23 0.00 0.00 176.35 175.13 3fdu s PRO 209 N -4.83 3.90 0.19 1.29 0.02 -1.26 -4.89 135.00 129.41 3fdu s PRO 209 Ca 0.56 2.15 -0.12 0.00 0.02 0.00 0.00 61.00 63.60 3fdu s PRO 209 Cb -0.10 -4.11 0.15 0.00 0.02 0.00 0.00 34.50 30.45 3fdu s PRO 209 CO 0.40 -1.20 1.81 1.25 -0.33 0.00 0.00 177.00 178.93 3fdu h LEU 210 N 11.52 0.51 -1.57 -5.54 5.85 -1.91 -2.22 115.31 121.95 3fdu h LEU 210 Ca -0.41 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.48 3fdu h LEU 210 Cb 1.20 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 3fdu h LEU 210 CO 0.96 0.35 0.53 0.00 -0.34 0.00 0.00 178.44 179.94 3fdu h ALA 211 N 1.27 2.15 0.13 1.25 0.00 -2.00 -0.47 119.26 121.59 3fdu h ALA 211 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.86 3fdu h ALA 211 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3fdu h ALA 211 CO -0.13 -0.37 -1.39 0.77 0.00 0.00 0.00 179.25 178.14 3fdu h SER 212 N 0.41 0.42 -0.37 0.00 0.02 -1.82 -2.04 113.55 110.17 3fdu h SER 212 Ca 0.39 -0.51 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 3fdu h SER 212 Cb 0.93 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 3fdu h SER 212 CO -0.13 1.41 0.17 -0.07 -1.14 0.00 0.00 176.83 177.07 3fdu h LEU 213 N 0.07 0.49 -0.39 5.07 3.38 -0.85 -0.54 115.31 122.55 3fdu h LEU 213 Ca -0.19 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3fdu h LEU 213 Cb 2.00 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 3fdu h LEU 213 CO 0.19 0.49 0.13 0.11 0.09 0.00 0.00 178.44 179.44 3fdu h LYS 214 N 0.46 0.59 -0.46 1.13 1.57 -1.09 -0.85 116.57 117.93 3fdu h LYS 214 Ca 0.13 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3fdu h LYS 214 Cb 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3fdu h LYS 214 CO -0.02 0.59 -0.12 0.37 -0.57 0.00 0.00 179.45 179.71 3fdu h GLN 215 N 0.48 0.84 -0.21 3.15 5.75 -1.31 -0.61 115.11 123.20 3fdu h GLN 215 Ca 0.13 -0.29 -0.00 0.00 -0.15 0.00 0.00 58.65 58.33 3fdu h GLN 215 Cb 0.24 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 3fdu h GLN 215 CO -0.01 0.92 0.12 1.15 -2.65 0.00 0.00 178.83 178.36 3fdu h THR 216 N 0.75 1.11 -0.66 2.39 2.02 -0.94 -1.51 112.91 116.07 3fdu h THR 216 Ca 0.12 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 3fdu h THR 216 Cb 0.62 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 3fdu h THR 216 CO 0.04 0.10 0.24 0.50 0.37 0.00 0.00 175.52 176.78 3fdu h LYS 217 N 0.23 0.97 -0.53 6.66 3.64 -0.88 -0.91 116.57 125.76 3fdu h LYS 217 Ca 0.07 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.17 3fdu h LYS 217 Cb 0.07 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3fdu h LYS 217 CO -0.01 0.81 -0.09 0.00 -2.27 0.00 0.00 179.45 177.89 3fdu h ALA 218 N 1.31 0.83 -0.37 5.00 0.00 -0.85 0.19 119.26 125.37 3fdu h ALA 218 Ca 0.22 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3fdu h ALA 218 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3fdu h ALA 218 CO -0.02 0.66 -0.08 -0.07 0.00 0.00 0.00 179.25 179.74 3fdu h LEU 219 N 0.88 0.71 -1.51 0.00 3.38 -0.95 -2.81 115.31 115.01 3fdu h LEU 219 Ca 0.14 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3fdu h LEU 219 Cb 0.64 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3fdu h LEU 219 CO 0.04 0.90 0.06 0.24 0.09 0.00 0.00 178.44 179.77 3fdu h MET 220 N 0.50 0.38 -0.99 1.13 2.86 -0.64 -2.62 114.93 115.55 3fdu h MET 220 Ca 0.09 -0.05 -0.67 0.00 -2.06 0.00 0.00 59.70 57.01 3fdu h MET 220 Cb 0.59 -0.07 -0.30 0.00 0.06 0.00 0.00 31.60 31.88 3fdu h MET 220 CO 0.04 0.36 0.78 1.63 1.06 0.00 0.00 176.91 180.78 3fdu n LYS 221 N -4.38 2.72 0.16 1.72 5.02 0.61 -4.69 118.16 119.32 3fdu n LYS 221 Ca 0.01 -3.33 0.15 0.00 -2.02 0.00 0.00 58.31 53.12 3fdu n LYS 221 Cb 0.16 -2.28 0.72 0.00 -0.02 0.00 0.00 35.03 33.61 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 1.98 0.00 -0.47 2.13 2.07 -1.21 -0.74 115.15 118.91 3fdu h HIS 222 Ca 0.60 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.97 3fdu h HIS 222 Cb 0.91 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 30.80 3fdu h HIS 222 CO 1.41 0.00 0.19 -0.40 -3.07 0.00 0.00 177.93 176.06 3fdu n ASP 223 N -4.26 3.65 -0.14 3.10 5.75 -1.26 -4.56 116.55 118.83 3fdu n ASP 223 Ca 0.03 -2.75 0.09 0.00 -0.01 0.00 0.00 54.79 52.15 3fdu n ASP 223 Cb 0.33 -0.66 0.42 0.00 -1.03 0.00 0.00 41.12 40.19 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 1.72 0.53 -0.16 -2.12 5.85 -1.51 -1.88 115.31 117.73 3fdu h LEU 224 Ca 0.19 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3fdu h LEU 224 Cb 1.75 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.66 3fdu h LEU 224 CO 0.47 0.32 0.04 0.44 -0.34 0.00 0.00 178.44 179.38 3fdu h ASP 225 N 0.59 0.04 -0.66 1.25 3.32 -1.86 -0.08 116.42 119.02 3fdu h ASP 225 Ca 0.31 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 3fdu h ASP 225 Cb 0.43 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 3fdu h ASP 225 CO -0.10 0.05 0.38 -0.61 -1.72 0.00 0.00 179.24 177.23 3fdu h GLN 226 N 0.12 0.93 -0.33 3.56 4.15 -1.76 -1.57 115.11 120.20 3fdu h GLN 226 Ca 0.07 -0.10 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 3fdu h GLN 226 Cb 0.05 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3fdu h GLN 226 CO -0.08 0.68 -0.08 0.82 -1.93 0.00 0.00 178.83 178.24 3fdu h ILE 227 N 0.94 1.28 -0.34 2.39 2.04 -0.90 -0.17 117.51 122.74 3fdu h ILE 227 Ca 0.24 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 3fdu h ILE 227 Cb 0.02 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3fdu h ILE 227 CO -0.04 0.37 0.17 0.40 0.00 0.00 0.00 178.15 179.05 3fdu h ILE 228 N 0.43 1.16 -0.39 -0.67 1.08 -0.86 0.21 117.51 118.46 3fdu h ILE 228 Ca 0.08 -0.43 0.06 0.00 -0.39 0.00 0.00 64.86 64.18 3fdu h ILE 228 Cb 0.58 0.81 -0.05 0.00 -3.07 0.00 0.00 36.82 35.09 3fdu h ILE 228 CO 0.03 0.16 0.07 -0.33 -0.69 0.00 0.00 178.15 177.40 3fdu h GLU 229 N 0.42 0.19 -0.48 2.37 5.08 -1.18 -1.12 114.58 119.85 3fdu h GLU 229 Ca 0.12 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3fdu h GLU 229 Cb 0.10 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 3fdu h GLU 229 CO -0.02 0.13 0.24 0.00 -1.00 0.00 0.00 179.01 178.36 3fdu h ILE 231 N 0.47 1.05 -0.30 0.00 2.04 -0.47 0.12 117.51 120.42 3fdu h ILE 231 Ca 0.21 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 3fdu h ILE 231 Cb 0.12 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 3fdu h ILE 231 CO -0.15 0.15 -0.12 0.44 0.00 0.00 0.00 178.15 178.47 3fdu h ASP 232 N 0.82 0.63 -0.30 1.72 3.32 -0.78 -0.81 116.42 121.02 3fdu h ASP 232 Ca 0.30 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3fdu h ASP 232 Cb 0.09 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3fdu h ASP 232 CO -0.14 0.88 0.17 -0.74 -1.72 0.00 0.00 179.24 177.69 3fdu h HIS 233 N 0.38 0.42 -1.00 4.55 2.76 -0.76 -2.19 115.15 119.31 3fdu h HIS 233 Ca 0.07 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.33 3fdu h HIS 233 Cb 0.63 -0.13 -0.08 0.00 1.55 0.00 0.00 27.41 29.38 3fdu h HIS 233 CO 0.06 0.34 0.64 0.93 -1.30 0.00 0.00 177.93 178.59 3fdu h GLU 234 N 0.37 1.04 -0.90 5.26 5.08 -0.72 -2.86 114.58 121.86 3fdu h GLU 234 Ca 0.11 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3fdu h GLU 234 Cb 0.06 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 3fdu h GLU 234 CO -0.02 0.69 0.59 0.00 -1.00 0.00 0.00 179.01 179.27 3fdu h ALA 235 N 1.50 1.14 0.14 3.43 0.00 -0.54 0.10 119.26 125.04 3fdu h ALA 235 Ca 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3fdu h ALA 235 Cb 0.34 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3fdu h ALA 235 CO -0.22 0.52 -0.07 0.93 0.00 0.00 0.00 179.25 180.41 3fdu h GLU 236 N 1.20 -0.18 -0.69 0.00 5.08 -1.21 -0.53 114.58 118.24 3fdu h GLU 236 Ca 0.33 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.78 3fdu h GLU 236 Cb -0.11 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 3fdu h GLU 236 CO -0.08 -0.03 0.37 0.82 -1.00 0.00 0.00 179.01 179.08 3fdu h ILE 237 N -0.30 0.91 -0.37 3.13 2.04 -1.34 -1.32 117.51 120.25 3fdu h ILE 237 Ca -0.02 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3fdu h ILE 237 Cb 0.24 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3fdu h ILE 237 CO 0.03 0.12 0.21 0.15 0.00 0.00 0.00 178.15 178.66 3fdu h PHE 238 N 0.65 0.50 0.00 1.37 3.57 -0.62 -1.27 116.94 121.14 3fdu h PHE 238 Ca 0.32 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.74 3fdu h PHE 238 Cb 0.27 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3fdu h PHE 238 CO -0.09 0.38 -0.38 0.52 -2.23 0.00 0.00 178.31 176.51 3fdu h MET 239 N 0.48 0.00 -0.01 1.11 2.86 -0.83 -2.02 114.93 116.53 3fdu h MET 239 Ca 0.13 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3fdu h MET 239 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3fdu h MET 239 CO -0.02 0.38 -0.02 1.96 1.06 0.00 0.00 176.91 180.27 3fdu h GLN 240 N 0.00 -0.03 -0.57 1.72 4.20 -0.87 -2.96 115.11 116.61 3fdu h GLN 240 Ca -0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 3fdu h GLN 240 Cb 0.79 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 3fdu h GLN 240 CO 0.05 -0.02 0.41 0.00 -0.67 0.00 0.00 178.83 178.60 3fdu h ARG 241 N -0.03 0.00 0.00 1.46 2.47 -0.55 -1.11 114.38 116.61 3fdu h ARG 241 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3fdu h ARG 241 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 3fdu h ARG 241 CO -0.03 0.00 0.00 1.33 0.56 0.00 0.00 179.97 181.83 3fdu n VAL 242 N -4.35 0.75 -0.74 2.04 0.24 -0.89 -1.78 118.33 113.60 3fdu n VAL 242 Ca 0.11 0.19 0.08 0.00 -2.04 0.00 0.00 64.34 62.67 3fdu n VAL 242 Cb 0.64 -0.94 0.20 0.00 -1.47 0.00 0.00 33.84 32.28 3fdu n VAL 242 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fdu n GLN 243 N -1.38 2.73 -2.98 7.34 6.02 -0.42 -4.63 117.38 124.06 3fdu n GLN 243 Ca 0.06 -2.54 -0.27 0.00 -0.01 0.00 0.00 57.00 54.24 3fdu n GLN 243 Cb 0.14 -1.61 -0.01 0.00 1.02 0.00 0.00 30.24 29.78 3fdu n GLN 243 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3fdu s SER 244 N -1.76 6.35 0.23 1.08 1.04 -0.73 -4.98 113.70 114.93 3fdu s SER 244 Ca 0.34 0.82 -0.07 0.00 0.48 0.00 0.00 55.95 57.51 3fdu s SER 244 Cb 0.26 -2.19 0.26 0.00 0.10 0.00 0.00 66.02 64.45 3fdu s SER 244 CO 0.09 -0.41 1.87 -0.65 0.98 0.00 0.00 173.24 175.13 3fdu h PRO 245 N 0.82 1.01 0.07 4.02 0.11 -1.95 -1.50 132.00 134.57 3fdu h PRO 245 Ca -0.48 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.58 3fdu h PRO 245 Cb 1.20 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3fdu h PRO 245 CO 0.63 0.67 -0.11 0.93 -0.21 0.00 0.00 178.00 179.90 3fdu h GLU 246 N 1.04 -0.22 0.30 1.05 3.07 -1.92 -2.24 114.58 115.66 3fdu h GLU 246 Ca 0.34 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3fdu h GLU 246 Cb 0.03 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 3fdu h GLU 246 CO -0.12 -0.15 -0.34 1.98 -1.40 0.00 0.00 179.01 178.98 3fdu h MET 247 N -0.23 -0.65 -1.22 2.33 1.85 -1.63 -2.38 114.93 113.00 3fdu h MET 247 Ca 0.02 0.04 0.39 0.00 -0.61 0.00 0.00 59.70 59.54 3fdu h MET 247 Cb 0.24 0.15 -0.12 0.00 0.43 0.00 0.00 31.60 32.29 3fdu h MET 247 CO -0.06 -0.44 0.77 1.25 -0.40 0.00 0.00 176.91 178.04 3fdu h LEU 248 N -0.68 0.31 -0.97 3.39 6.46 -1.19 1.00 115.31 123.64 3fdu h LEU 248 Ca -0.01 0.14 -0.10 0.00 -0.12 0.00 0.00 57.88 57.79 3fdu h LEU 248 Cb 0.63 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 3fdu h LEU 248 CO -0.08 -0.13 -0.45 -0.08 -0.62 0.00 0.00 178.44 177.07 3fdu h GLU 249 N 0.17 0.00 0.00 1.25 4.57 -0.87 -3.51 114.58 116.19 3fdu h GLU 249 Ca 0.76 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.94 3fdu h GLU 249 Cb 2.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.84 3fdu h GLU 249 CO -0.42 0.45 0.00 0.00 -1.18 0.00 0.00 179.01 177.86