#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fsw s SER 4 N -2.42 -0.25 -0.05 0.00 1.04 -1.26 -1.39 113.70 109.38 3fsw s SER 4 Ca 0.19 -0.45 -0.04 0.00 0.48 0.00 0.00 55.95 56.13 3fsw s SER 4 Cb -0.09 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.60 3fsw s SER 4 CO 0.23 -1.00 0.12 0.54 0.98 0.00 0.00 173.24 174.11 3fsw s VAL 5 N -3.86 -0.01 -0.25 5.02 0.11 -0.59 -4.95 120.40 115.88 3fsw s VAL 5 Ca 0.08 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 59.02 3fsw s VAL 5 Cb -0.00 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.62 3fsw s VAL 5 CO -0.05 0.01 0.30 -1.81 -3.33 0.00 0.00 175.10 170.23 3fsw s ASP 6 N 0.24 6.22 0.08 3.54 1.01 -1.26 -1.00 116.67 125.51 3fsw s ASP 6 Ca -0.01 0.25 0.09 0.00 0.71 0.00 0.00 52.55 53.59 3fsw s ASP 6 Cb -0.03 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 3fsw s ASP 6 CO -0.01 -0.09 -0.25 -0.63 0.21 0.00 0.00 175.17 174.41 3fsw s ILE 7 N 1.66 2.01 0.01 0.77 1.01 -0.20 -4.96 121.20 121.49 3fsw s ILE 7 Ca 0.13 -1.48 0.05 0.00 0.00 0.00 0.00 60.65 59.35 3fsw s ILE 7 Cb -0.15 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 3fsw s ILE 7 CO 0.09 0.19 -0.16 -1.10 0.00 0.00 0.00 174.94 173.96 3fsw s GLN 8 N -1.57 1.18 -0.07 2.79 -0.21 -1.26 -1.61 119.66 118.91 3fsw s GLN 8 Ca 0.11 -0.64 0.05 0.00 0.02 0.00 0.00 55.36 54.90 3fsw s GLN 8 Cb -0.10 -1.17 -0.00 0.00 1.00 0.00 0.00 33.01 32.74 3fsw s GLN 8 CO 0.03 0.31 -0.23 0.20 -2.12 0.00 0.00 175.29 173.49 3fsw s GLY 9 N -0.63 1.22 0.50 3.09 0.00 -0.69 -1.78 107.32 109.03 3fsw s GLY 9 Ca 0.05 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.87 3fsw s GLY 9 CO 0.00 -0.42 0.00 0.54 0.00 0.00 0.00 173.10 173.23 3fsw s ASN 10 N 0.13 4.11 0.64 1.64 2.20 -0.84 -3.85 114.94 118.97 3fsw s ASN 10 Ca -0.11 -1.63 0.37 0.00 -0.94 0.00 0.00 52.86 50.56 3fsw s ASN 10 Cb -0.15 0.43 2.07 0.00 -2.00 0.00 0.00 41.25 41.60 3fsw s ASN 10 CO 0.06 -0.81 2.24 0.44 -2.94 0.00 0.00 177.10 176.08 3fsw h ASP 11 N 1.39 0.00 -0.49 3.54 3.32 -1.91 -2.66 116.42 119.62 3fsw h ASP 11 Ca -0.44 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.55 3fsw h ASP 11 Cb 1.31 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.82 3fsw h ASP 11 CO 0.75 0.00 0.08 0.00 -1.72 0.00 0.00 179.24 178.35 3fsw n GLN 12 N -3.31 3.62 -3.75 3.56 3.00 -1.26 -4.92 117.38 114.31 3fsw n GLN 12 Ca -0.02 -2.36 -0.25 0.00 -0.01 0.00 0.00 57.00 54.36 3fsw n GLN 12 Cb 0.16 -2.05 0.04 0.00 0.00 0.00 0.00 30.24 28.40 3fsw n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 3fsw n MET 13 N 0.27 -5.81 -4.96 -1.09 1.56 -1.00 -5.00 117.12 101.09 3fsw n MET 13 Ca 0.25 0.66 -0.27 0.00 -0.27 0.00 0.00 57.70 58.08 3fsw n MET 13 Cb 1.04 -5.48 -0.16 0.00 2.15 0.00 0.00 33.22 30.77 3fsw n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3fsw s GLN 14 N -6.25 1.71 0.32 2.12 -0.21 -1.26 -4.53 119.66 111.56 3fsw s GLN 14 Ca 0.37 -0.70 -0.17 0.00 0.02 0.00 0.00 55.36 54.87 3fsw s GLN 14 Cb -0.18 -1.60 -0.09 0.00 1.00 0.00 0.00 33.01 32.14 3fsw s GLN 14 CO 0.80 0.39 0.78 -0.06 -2.12 0.00 0.00 175.29 175.08 3fsw s PHE 15 N -0.35 3.42 -2.01 0.91 0.08 -1.26 -1.98 117.98 116.80 3fsw s PHE 15 Ca 0.05 1.34 0.04 0.00 0.12 0.00 0.00 56.93 58.48 3fsw s PHE 15 Cb -0.09 -2.62 0.21 0.00 -0.57 0.00 0.00 43.02 39.96 3fsw s PHE 15 CO 0.00 0.11 1.14 0.27 -0.10 0.00 0.00 175.22 176.64 3fsw n ASN 16 N -0.18 0.22 -3.73 1.36 6.94 -0.74 -4.88 115.26 114.25 3fsw n ASN 16 Ca 0.03 -1.91 -0.13 0.00 -0.02 0.00 0.00 54.58 52.55 3fsw n ASN 16 Cb 0.53 -0.03 -0.08 0.00 -2.36 0.00 0.00 39.78 37.84 3fsw n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3fsw s THR 17 N -1.95 0.06 -0.21 5.53 -1.32 -1.26 -4.99 115.64 111.50 3fsw s THR 17 Ca 0.07 -0.51 0.11 0.00 -1.21 0.00 0.00 61.69 60.15 3fsw s THR 17 Cb 0.03 -0.77 -0.20 0.00 -1.51 0.00 0.00 72.50 70.05 3fsw s THR 17 CO 0.05 -0.28 -0.04 -3.20 -2.21 0.00 0.00 174.62 168.95 3fsw n ASN 18 N 0.96 1.04 -3.75 8.08 2.85 -1.26 -4.77 115.26 118.40 3fsw n ASN 18 Ca -0.20 -0.05 -0.13 0.00 -0.11 0.00 0.00 54.58 54.09 3fsw n ASN 18 Cb 0.57 0.46 -0.09 0.00 1.24 0.00 0.00 39.78 41.97 3fsw n ASN 18 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3fsw s ALA 19 N -2.46 -0.82 -0.03 5.20 0.00 -1.26 -1.37 121.76 121.01 3fsw s ALA 19 Ca -0.18 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.29 3fsw s ALA 19 Cb 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.13 3fsw s ALA 19 CO 0.69 -0.24 -0.08 0.42 0.00 0.00 0.00 175.76 176.55 3fsw s ILE 20 N -0.99 0.70 -0.17 0.00 1.01 0.25 -4.95 121.20 117.04 3fsw s ILE 20 Ca -0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 3fsw s ILE 20 Cb -0.05 -0.65 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 3fsw s ILE 20 CO 0.04 0.23 -0.11 -0.89 0.00 0.00 0.00 174.94 174.21 3fsw s THR 21 N 0.40 3.02 -0.27 2.92 2.01 -1.26 -1.36 115.64 121.10 3fsw s THR 21 Ca -0.06 -0.64 -0.17 0.00 0.31 0.00 0.00 61.69 61.12 3fsw s THR 21 Cb -0.10 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 3fsw s THR 21 CO 0.01 0.49 0.48 -0.69 -0.69 0.00 0.00 174.62 174.22 3fsw s VAL 22 N 0.86 5.08 0.04 3.82 1.01 -0.34 -4.83 120.40 126.05 3fsw s VAL 22 Ca -0.03 0.74 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 3fsw s VAL 22 Cb -0.15 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 3fsw s VAL 22 CO 0.00 0.06 1.94 -0.62 0.00 0.00 0.00 175.10 176.49 3fsw s ASP 23 N 1.60 6.46 0.57 3.32 -1.08 -1.26 0.78 116.67 127.05 3fsw s ASP 23 Ca 0.19 2.66 0.29 0.00 -0.52 0.00 0.00 52.55 55.18 3fsw s ASP 23 Cb -0.16 -2.53 1.46 0.00 -1.46 0.00 0.00 42.92 40.23 3fsw s ASP 23 CO 0.10 -1.05 1.88 0.07 0.52 0.00 0.00 175.17 176.70 3fsw h LYS 24 N 10.39 0.00 -0.00 4.34 2.10 -1.86 -0.74 116.57 130.80 3fsw h LYS 24 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3fsw h LYS 24 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3fsw h LYS 24 CO 0.94 0.00 -0.01 -1.13 -2.00 0.00 0.00 179.45 177.25 3fsw n SER 25 N -3.91 0.02 -4.75 7.07 3.41 -1.26 -4.81 113.62 109.37 3fsw n SER 25 Ca 0.12 0.33 -0.41 0.00 -0.26 0.00 0.00 58.87 58.66 3fsw n SER 25 Cb 0.79 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 3fsw n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fsw h LYS 27 N 4.25 -0.08 -5.99 0.00 3.64 -1.89 -3.42 116.57 113.08 3fsw h LYS 27 Ca -0.47 0.01 -0.60 0.00 -1.27 0.00 0.00 60.65 58.31 3fsw h LYS 27 Cb 1.22 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.92 3fsw h LYS 27 CO 0.70 0.51 -0.71 -0.65 -2.27 0.00 0.00 179.45 177.03 3fsw s GLN 28 N -2.80 1.74 -0.01 1.90 -0.21 -1.26 -0.88 119.66 118.13 3fsw s GLN 28 Ca -0.14 -1.86 0.02 0.00 0.02 0.00 0.00 55.36 53.40 3fsw s GLN 28 Cb -0.01 -1.68 0.00 0.00 1.00 0.00 0.00 33.01 32.33 3fsw s GLN 28 CO 0.51 0.20 -0.05 0.12 -2.12 0.00 0.00 175.29 173.95 3fsw s PHE 29 N -2.61 0.52 -0.04 0.91 5.36 -0.72 -4.84 117.98 116.55 3fsw s PHE 29 Ca 0.31 -0.10 0.06 0.00 -0.96 0.00 0.00 56.93 56.25 3fsw s PHE 29 Cb -0.00 -0.36 -0.01 0.00 -0.34 0.00 0.00 43.02 42.30 3fsw s PHE 29 CO 0.15 -0.03 -0.24 0.99 -1.46 0.00 0.00 175.22 174.63 3fsw s THR 30 N 0.04 1.98 -0.17 0.12 2.01 -0.48 -1.74 115.64 117.40 3fsw s THR 30 Ca 0.00 -1.04 -0.03 0.00 0.31 0.00 0.00 61.69 60.93 3fsw s THR 30 Cb -0.04 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 3fsw s THR 30 CO -0.00 0.55 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.73 3fsw s VAL 31 N -0.28 3.54 -0.43 3.82 1.01 0.74 -1.54 120.40 127.26 3fsw s VAL 31 Ca 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 3fsw s VAL 31 Cb -0.12 -2.55 0.10 0.00 0.00 0.00 0.00 36.38 33.80 3fsw s VAL 31 CO 0.02 0.48 0.27 0.20 0.00 0.00 0.00 175.10 176.07 3fsw s ASN 32 N 0.66 5.55 -0.17 3.32 0.01 -0.17 -1.42 114.94 122.73 3fsw s ASN 32 Ca -0.03 -1.75 -0.10 0.00 -0.71 0.00 0.00 52.86 50.27 3fsw s ASN 32 Cb -0.15 -1.95 -0.05 0.00 0.41 0.00 0.00 41.25 39.51 3fsw s ASN 32 CO 0.02 -0.58 0.15 -0.22 -1.51 0.00 0.00 177.10 174.96 3fsw s LEU 33 N 1.34 4.27 0.33 0.60 2.96 0.10 -1.03 118.68 127.24 3fsw s LEU 33 Ca 0.05 0.34 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 3fsw s LEU 33 Cb -0.24 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 3fsw s LEU 33 CO -0.00 0.24 0.15 -0.94 -1.32 0.00 0.00 176.35 174.48 3fsw s SER 34 N -0.07 1.83 -0.35 3.68 1.04 -0.63 -0.36 113.70 118.84 3fsw s SER 34 Ca 0.11 -1.58 -0.01 0.00 0.48 0.00 0.00 55.95 54.96 3fsw s SER 34 Cb -0.12 0.39 0.12 0.00 0.10 0.00 0.00 66.02 66.51 3fsw s SER 34 CO 0.01 -0.89 0.18 -2.28 0.98 0.00 0.00 173.24 171.24 3fsw s HIS 35 N -3.50 1.01 -0.75 5.02 2.46 -1.04 -1.70 115.29 116.79 3fsw s HIS 35 Ca 0.34 -1.63 0.17 0.00 0.47 0.00 0.00 55.06 54.41 3fsw s HIS 35 Cb 0.05 -1.21 0.74 0.00 -0.13 0.00 0.00 32.58 32.03 3fsw s HIS 35 CO 0.17 -0.83 1.53 -2.30 -2.47 0.00 0.00 174.74 170.85 3fsw n PRO 36 N 4.32 0.08 -0.13 2.88 -0.02 -1.25 -1.03 135.00 139.86 3fsw n PRO 36 Ca 0.06 0.36 -0.04 0.00 -2.02 0.00 0.00 63.50 61.86 3fsw n PRO 36 Cb 0.38 -1.67 0.03 0.00 -0.02 0.00 0.00 33.50 32.22 3fsw n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fsw n GLY 37 N -0.21 -2.60 0.08 -1.23 0.00 -1.26 -4.81 105.19 95.16 3fsw n GLY 37 Ca 0.02 -1.43 0.02 0.00 0.00 0.00 0.00 46.02 44.63 3fsw n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fsw n ASN 38 N -3.26 0.70 -4.76 1.61 3.02 -1.26 -4.02 115.26 107.30 3fsw n ASN 38 Ca 0.02 -0.85 -0.39 0.00 -0.03 0.00 0.00 54.58 53.33 3fsw n ASN 38 Cb 0.08 0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 39.80 3fsw n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fsw s LEU 39 N -1.54 4.50 0.88 3.41 1.43 -1.26 -4.75 118.68 121.35 3fsw s LEU 39 Ca 0.04 1.96 -0.12 0.00 -1.03 0.00 0.00 54.13 54.98 3fsw s LEU 39 Cb 0.04 -3.78 0.12 0.00 0.03 0.00 0.00 46.19 42.60 3fsw s LEU 39 CO 0.15 -0.00 1.11 -2.16 0.23 0.00 0.00 176.35 175.67 3fsw s PRO 40 N -1.59 1.39 0.56 1.29 0.04 -1.26 -1.51 135.00 133.92 3fsw s PRO 40 Ca 0.46 0.54 0.33 0.00 0.04 0.00 0.00 61.00 62.36 3fsw s PRO 40 Cb -0.24 -1.85 1.62 0.00 0.04 0.00 0.00 34.50 34.08 3fsw s PRO 40 CO 0.30 -2.08 2.11 1.57 0.04 0.00 0.00 177.00 178.94 3fsw h LYS 41 N -1.42 0.00 0.00 4.56 2.10 -1.85 -0.75 116.57 119.21 3fsw h LYS 41 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3fsw h LYS 41 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 3fsw h LYS 41 CO 0.59 0.07 -0.14 -2.95 -2.00 0.00 0.00 179.45 175.02 3fsw h ASN 42 N 0.00 0.00 0.00 7.07 -1.07 -1.94 -2.64 115.58 117.00 3fsw h ASN 42 Ca -0.00 -0.01 -0.26 0.00 0.07 0.00 0.00 56.30 56.10 3fsw h ASN 42 Cb 0.33 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.53 3fsw h ASN 42 CO 0.01 0.01 -1.97 0.55 0.07 0.00 0.00 177.43 176.10 3fsw n VAL 43 N -2.77 0.97 -2.69 6.14 3.14 -0.84 -4.84 118.33 117.45 3fsw n VAL 43 Ca 0.04 -0.57 -0.07 0.00 -2.96 0.00 0.00 64.34 60.78 3fsw n VAL 43 Cb 0.50 -0.70 0.09 0.00 -1.06 0.00 0.00 33.84 32.67 3fsw n VAL 43 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 3fsw n MET 44 N -2.59 1.19 -3.20 1.45 0.00 -0.35 -5.02 117.12 108.60 3fsw n MET 44 Ca -0.24 -2.29 -0.36 0.00 -0.00 0.00 0.00 57.70 54.80 3fsw n MET 44 Cb 0.94 -0.44 -0.06 0.00 0.00 0.00 0.00 33.22 33.66 3fsw n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3fsw s GLY 45 N -1.85 2.58 0.05 -5.12 0.00 -1.00 -4.75 107.32 97.23 3fsw s GLY 45 Ca 0.23 0.06 0.05 0.00 0.00 0.00 0.00 44.72 45.07 3fsw s GLY 45 CO -0.05 0.40 -0.15 0.30 0.00 0.00 0.00 173.10 173.61 3fsw s HIS 46 N -1.45 1.29 0.46 1.90 3.76 -0.55 -4.74 115.29 115.97 3fsw s HIS 46 Ca 0.40 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.95 3fsw s HIS 46 Cb -0.17 -0.75 -0.01 0.00 1.11 0.00 0.00 32.58 32.76 3fsw s HIS 46 CO 0.20 0.05 0.08 0.54 -0.85 0.00 0.00 174.74 174.77 3fsw s ASN 47 N -1.31 3.43 -0.10 1.40 2.20 -1.26 -0.83 114.94 118.46 3fsw s ASN 47 Ca 0.01 -1.70 0.01 0.00 -0.94 0.00 0.00 52.86 50.24 3fsw s ASN 47 Cb -0.08 0.59 0.02 0.00 -2.00 0.00 0.00 41.25 39.78 3fsw s ASN 47 CO 0.02 -0.94 -0.11 0.86 -2.94 0.00 0.00 177.10 173.99 3fsw s TRP 48 N -3.06 1.62 -0.02 1.54 -0.00 -1.26 -3.97 118.94 113.80 3fsw s TRP 48 Ca 0.14 -0.76 0.05 0.00 -0.00 0.00 0.00 56.10 55.53 3fsw s TRP 48 Cb 0.01 -1.25 -0.01 0.00 -0.00 0.00 0.00 33.47 32.22 3fsw s TRP 48 CO 0.09 -0.46 -0.16 0.08 -0.00 0.00 0.00 176.95 176.50 3fsw s VAL 49 N 1.28 1.32 -0.07 5.86 1.01 0.60 -1.80 120.40 128.60 3fsw s VAL 49 Ca -0.02 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.32 3fsw s VAL 49 Cb -0.14 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3fsw s VAL 49 CO -0.04 0.38 -0.24 -0.22 0.00 0.00 0.00 175.10 174.98 3fsw s LEU 50 N -0.26 2.05 0.25 3.92 2.96 0.25 -1.47 118.68 126.38 3fsw s LEU 50 Ca 0.03 -0.50 -0.22 0.00 -0.22 0.00 0.00 54.13 53.22 3fsw s LEU 50 Cb -0.08 -1.33 0.04 0.00 0.50 0.00 0.00 46.19 45.32 3fsw s LEU 50 CO 0.00 0.21 0.80 -0.94 -1.32 0.00 0.00 176.35 175.11 3fsw s SER 51 N -0.02 -0.21 0.66 3.68 1.04 -0.65 -0.72 113.70 117.48 3fsw s SER 51 Ca -0.07 -0.60 -0.17 0.00 0.48 0.00 0.00 55.95 55.59 3fsw s SER 51 Cb -0.14 0.67 -0.00 0.00 0.10 0.00 0.00 66.02 66.64 3fsw s SER 51 CO 0.05 -1.24 1.26 0.42 0.98 0.00 0.00 173.24 174.71 3fsw s THR 52 N -3.58 2.16 0.28 2.02 -4.23 -1.26 -0.82 115.64 110.20 3fsw s THR 52 Ca 0.12 0.09 -0.00 0.00 -1.18 0.00 0.00 61.69 60.72 3fsw s THR 52 Cb -0.05 -2.95 0.28 0.00 1.34 0.00 0.00 72.50 71.12 3fsw s THR 52 CO 0.06 -0.03 1.85 0.00 -0.54 0.00 0.00 174.62 175.97 3fsw h ALA 53 N 0.39 1.47 -0.93 3.99 0.00 -1.90 -1.89 119.26 120.38 3fsw h ALA 53 Ca -0.50 0.01 0.23 0.00 0.00 0.00 0.00 54.91 54.65 3fsw h ALA 53 Cb 1.32 -0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 3fsw h ALA 53 CO 0.52 0.30 0.46 0.00 0.00 0.00 0.00 179.25 180.53 3fsw h ALA 54 N 1.51 1.56 -0.01 0.00 0.00 -1.95 -2.87 119.26 117.50 3fsw h ALA 54 Ca 0.47 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.54 3fsw h ALA 54 Cb 0.38 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3fsw h ALA 54 CO -0.23 -0.33 -0.47 -0.25 0.00 0.00 0.00 179.25 177.97 3fsw n ASP 55 N -5.00 1.37 0.36 0.00 8.00 -0.72 -4.62 116.55 115.93 3fsw n ASP 55 Ca 0.24 -1.09 -0.18 0.00 0.71 0.00 0.00 54.79 54.47 3fsw n ASP 55 Cb 0.69 0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 42.10 3fsw n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3fsw h MET 56 N 1.41 -1.01 -0.91 -1.24 4.05 -1.35 -0.29 114.93 115.59 3fsw h MET 56 Ca 0.00 0.07 0.06 0.00 -0.28 0.00 0.00 59.70 59.55 3fsw h MET 56 Cb 0.60 0.23 -0.06 0.00 -0.80 0.00 0.00 31.60 31.57 3fsw h MET 56 CO 0.00 -0.67 0.58 0.37 0.23 0.00 0.00 176.91 177.41 3fsw h GLN 57 N -1.05 1.02 -0.08 0.39 5.75 -1.82 0.26 115.11 119.59 3fsw h GLN 57 Ca -0.08 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.37 3fsw h GLN 57 Cb 0.87 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 3fsw h GLN 57 CO 0.04 0.67 0.02 0.78 -2.65 0.00 0.00 178.83 177.69 3fsw h GLY 58 N 1.05 0.08 0.99 2.39 0.00 -1.74 0.90 103.07 106.74 3fsw h GLY 58 Ca 0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 3fsw h GLY 58 CO -0.17 0.01 0.19 -2.08 0.00 0.00 0.00 176.54 174.48 3fsw h VAL 59 N 0.05 1.10 0.23 4.60 2.07 0.05 -1.80 116.25 122.55 3fsw h VAL 59 Ca 0.03 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3fsw h VAL 59 Cb 0.02 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3fsw h VAL 59 CO -0.04 0.10 -0.11 0.58 0.02 0.00 0.00 177.57 178.12 3fsw h VAL 60 N 0.40 0.80 0.08 2.57 2.07 -0.27 0.87 116.25 122.78 3fsw h VAL 60 Ca 0.11 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3fsw h VAL 60 Cb -0.01 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3fsw h VAL 60 CO -0.02 0.03 -0.08 0.74 0.02 0.00 0.00 177.57 178.25 3fsw h THR 61 N -0.36 0.81 0.00 2.57 2.02 -0.80 -0.75 112.91 116.40 3fsw h THR 61 Ca -0.03 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 3fsw h THR 61 Cb 0.28 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3fsw h THR 61 CO 0.05 0.00 -0.22 0.44 0.37 0.00 0.00 175.52 176.16 3fsw h ASP 62 N -0.19 0.00 -0.08 4.18 5.19 -1.30 -2.10 116.42 122.13 3fsw h ASP 62 Ca 0.01 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 3fsw h ASP 62 Cb 0.18 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.69 3fsw h ASP 62 CO -0.03 0.22 -0.08 1.23 -3.12 0.00 0.00 179.24 177.46 3fsw h GLY 63 N 1.25 0.22 -0.03 2.75 0.00 -0.33 -1.37 103.07 105.56 3fsw h GLY 63 Ca -0.00 -0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.19 3fsw h GLY 63 CO 0.03 0.20 -0.18 0.00 0.00 0.00 0.00 176.54 176.59 3fsw h MET 64 N -0.23 -0.09 0.00 4.80 3.00 -0.94 -1.66 114.93 119.82 3fsw h MET 64 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 59.70 59.71 3fsw h MET 64 Cb 0.60 0.02 -0.00 0.00 0.00 0.00 0.00 31.60 32.22 3fsw h MET 64 CO 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 176.91 176.83 3fsw h ALA 65 N 1.25 1.09 0.00 -3.00 0.00 -1.32 -1.85 119.26 115.44 3fsw h ALA 65 Ca 0.22 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3fsw h ALA 65 Cb 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3fsw h ALA 65 CO -0.51 0.05 -0.51 0.77 0.00 0.00 0.00 179.25 179.05 3fsw h SER 66 N 0.00 0.00 -3.98 0.00 0.02 -0.36 -3.50 113.55 105.73 3fsw h SER 66 Ca -0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3fsw h SER 66 Cb 0.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3fsw h SER 66 CO 0.01 0.23 -0.03 0.61 -1.14 0.00 0.00 176.83 176.51 3fsw n GLY 67 N 1.19 -1.88 0.36 -3.77 0.00 -0.70 -3.85 105.19 96.54 3fsw n GLY 67 Ca 0.01 -1.49 0.17 0.00 0.00 0.00 0.00 46.02 44.71 3fsw n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fsw h LEU 68 N -0.05 0.67 -1.45 0.99 5.85 -1.87 -0.37 115.31 119.07 3fsw h LEU 68 Ca -0.00 0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.98 3fsw h LEU 68 Cb 0.05 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 3fsw h LEU 68 CO 0.00 0.17 0.54 -0.78 -0.34 0.00 0.00 178.44 178.03 3fsw h ASP 69 N 0.61 0.50 -0.63 1.25 3.58 -1.99 0.27 116.42 120.01 3fsw h ASP 69 Ca 0.61 0.03 -0.31 0.00 0.42 0.00 0.00 57.03 57.78 3fsw h ASP 69 Cb 1.15 -0.07 -0.18 0.00 1.72 0.00 0.00 39.33 41.95 3fsw h ASP 69 CO -0.40 0.25 0.23 0.29 -2.88 0.00 0.00 179.24 176.73 3fsw n LYS 70 N -4.52 2.16 -3.74 0.28 4.01 -0.93 -4.94 118.16 110.49 3fsw n LYS 70 Ca 0.16 -3.10 -0.28 0.00 -0.51 0.00 0.00 58.31 54.58 3fsw n LYS 70 Cb 0.53 -1.99 0.03 0.00 -0.51 0.00 0.00 35.03 33.09 3fsw n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3fsw n ASP 71 N -1.05 -5.16 -3.45 4.39 9.92 0.94 -1.82 116.55 120.33 3fsw n ASP 71 Ca 0.44 -0.66 -0.25 0.00 -0.53 0.00 0.00 54.79 53.79 3fsw n ASP 71 Cb 1.31 -4.11 -0.00 0.00 -0.64 0.00 0.00 41.12 37.67 3fsw n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3fsw n TYR 72 N -4.68 -1.84 -3.79 1.24 4.01 -0.19 -4.71 117.16 107.20 3fsw n TYR 72 Ca 0.02 0.53 -0.14 0.00 -0.16 0.00 0.00 57.90 58.15 3fsw n TYR 72 Cb 0.54 -3.14 -0.15 0.00 -0.31 0.00 0.00 39.34 36.28 3fsw n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fsw s LEU 73 N -6.63 1.28 -0.10 7.72 1.43 -0.75 -4.30 118.68 117.33 3fsw s LEU 73 Ca 0.44 0.04 -0.33 0.00 -1.03 0.00 0.00 54.13 53.26 3fsw s LEU 73 Cb -0.23 -0.03 -0.10 0.00 0.03 0.00 0.00 46.19 45.85 3fsw s LEU 73 CO 0.54 -0.10 1.98 1.17 0.23 0.00 0.00 176.35 180.17 3fsw n LYS 74 N 3.92 2.22 -1.62 1.70 4.81 -1.26 -4.77 118.16 123.16 3fsw n LYS 74 Ca -0.24 0.78 -0.52 0.00 -0.87 0.00 0.00 58.31 57.46 3fsw n LYS 74 Cb 0.53 -2.79 -0.06 0.00 0.02 0.00 0.00 35.03 32.72 3fsw n LYS 74 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3fsw n PRO 75 N 7.28 1.30 -3.34 1.64 -0.02 -1.26 -1.48 135.00 139.12 3fsw n PRO 75 Ca 0.25 0.47 -0.24 0.00 -2.02 0.00 0.00 63.50 61.96 3fsw n PRO 75 Cb 0.34 -2.14 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 3fsw n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fsw n ASP 76 N 3.06 -4.36 -4.63 2.55 8.00 -1.26 -4.91 116.55 115.01 3fsw n ASP 76 Ca 0.19 -0.41 -0.43 0.00 0.71 0.00 0.00 54.79 54.86 3fsw n ASP 76 Cb 0.20 -3.57 -0.03 0.00 -0.02 0.00 0.00 41.12 37.70 3fsw n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3fsw s ASP 77 N -2.77 5.98 0.00 -2.24 -1.08 -0.55 -4.86 116.67 111.14 3fsw s ASP 77 Ca 0.40 2.06 0.32 0.00 -0.52 0.00 0.00 52.55 54.81 3fsw s ASP 77 Cb -0.21 -2.52 1.88 0.00 -1.46 0.00 0.00 42.92 40.61 3fsw s ASP 77 CO 0.50 -1.52 2.22 -1.54 0.52 0.00 0.00 175.17 175.35 3fsw n SER 78 N 9.64 0.02 0.13 -0.34 3.41 -1.26 -2.47 113.62 122.75 3fsw n SER 78 Ca 0.24 -0.97 0.12 0.00 -0.26 0.00 0.00 58.87 58.01 3fsw n SER 78 Cb 0.44 -0.01 0.25 0.00 -0.26 0.00 0.00 64.21 64.63 3fsw n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3fsw h ARG 79 N 0.03 0.00 -6.23 4.33 3.08 -1.98 -3.44 114.38 110.17 3fsw h ARG 79 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3fsw h ARG 79 Cb 0.02 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.99 3fsw h ARG 79 CO 0.00 0.00 0.72 0.08 -1.07 0.00 0.00 179.97 179.70 3fsw s VAL 80 N -3.17 4.52 -0.01 2.04 1.01 -1.03 -4.54 120.40 119.22 3fsw s VAL 80 Ca 0.08 1.38 -0.24 0.00 0.00 0.00 0.00 61.98 63.19 3fsw s VAL 80 Cb 0.10 -4.39 -0.19 0.00 0.00 0.00 0.00 36.38 31.91 3fsw s VAL 80 CO 0.66 -0.57 1.27 0.40 0.00 0.00 0.00 175.10 176.87 3fsw h ILE 81 N 5.83 1.39 -2.28 2.22 2.04 -1.23 -3.47 117.51 122.01 3fsw h ILE 81 Ca -0.22 -1.23 -0.07 0.00 1.00 0.00 0.00 64.86 64.34 3fsw h ILE 81 Cb 1.07 2.12 -0.20 0.00 -0.74 0.00 0.00 36.82 39.07 3fsw h ILE 81 CO 1.01 0.33 0.04 0.00 0.00 0.00 0.00 178.15 179.53 3fsw s ALA 82 N -4.21 -1.50 -0.05 1.87 0.00 -1.22 -5.01 121.76 111.64 3fsw s ALA 82 Ca -0.15 1.33 -0.19 0.00 0.00 0.00 0.00 51.96 52.94 3fsw s ALA 82 Cb 0.02 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.78 3fsw s ALA 82 CO 0.70 -0.32 0.42 -3.38 0.00 0.00 0.00 175.76 173.18 3fsw s HIS 83 N -0.59 -0.34 0.74 0.00 -3.43 -1.26 -0.58 115.29 109.82 3fsw s HIS 83 Ca -0.07 0.62 -0.06 0.00 -0.80 0.00 0.00 55.06 54.75 3fsw s HIS 83 Cb -0.03 0.18 0.10 0.00 -1.43 0.00 0.00 32.58 31.41 3fsw s HIS 83 CO 0.05 -0.42 1.04 0.95 -2.00 0.00 0.00 174.74 174.36 3fsw s THR 84 N -1.05 2.23 0.92 -5.38 -4.23 -0.75 -4.79 115.64 102.59 3fsw s THR 84 Ca -0.11 -0.35 -0.13 0.00 -1.18 0.00 0.00 61.69 59.92 3fsw s THR 84 Cb -0.04 -2.88 0.14 0.00 1.34 0.00 0.00 72.50 71.07 3fsw s THR 84 CO 0.05 0.00 1.16 -1.59 -0.54 0.00 0.00 174.62 173.70 3fsw s LYS 85 N -5.28 1.09 -0.05 3.99 -2.85 -1.26 -4.56 119.74 110.81 3fsw s LYS 85 Ca 0.64 0.16 -0.27 0.00 -1.00 0.00 0.00 55.97 55.50 3fsw s LYS 85 Cb -0.08 -1.85 -0.03 0.00 -2.06 0.00 0.00 37.83 33.81 3fsw s LYS 85 CO 0.45 -2.21 0.84 -1.17 0.10 0.00 0.00 175.35 173.37 3fsw s LEU 86 N -5.99 4.32 0.18 2.77 2.96 -1.26 -4.39 118.68 117.26 3fsw s LEU 86 Ca 0.65 1.39 0.08 0.00 -0.22 0.00 0.00 54.13 56.04 3fsw s LEU 86 Cb -0.13 -3.32 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 3fsw s LEU 86 CO 0.53 -0.23 -0.17 0.27 -1.32 0.00 0.00 176.35 175.43 3fsw s ILE 87 N 1.12 1.81 0.27 6.68 -4.36 -0.01 -4.91 121.20 121.79 3fsw s ILE 87 Ca 0.44 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.85 3fsw s ILE 87 Cb -0.19 -1.89 0.01 0.00 1.25 0.00 0.00 42.46 41.64 3fsw s ILE 87 CO 0.21 -0.38 0.09 0.61 0.24 0.00 0.00 174.94 175.71 3fsw n GLY 88 N 0.12 3.44 3.69 6.27 0.00 -1.26 -1.48 105.19 115.97 3fsw n GLY 88 Ca -0.12 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.20 3fsw n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fsw n SER 89 N -1.50 2.77 0.00 1.61 3.41 -0.57 -2.29 113.62 117.06 3fsw n SER 89 Ca -0.06 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 3fsw n SER 89 Cb 0.32 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.80 3fsw n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fsw n GLY 90 N 1.14 2.02 3.98 5.00 0.00 -0.20 -4.97 105.19 112.17 3fsw n GLY 90 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 3fsw n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fsw s GLU 91 N -0.17 2.74 -0.00 1.61 2.02 -0.97 -4.93 118.70 119.00 3fsw s GLU 91 Ca 0.00 -0.91 -0.14 0.00 0.02 0.00 0.00 54.97 53.94 3fsw s GLU 91 Cb 0.00 -2.61 0.02 0.00 0.10 0.00 0.00 34.13 31.64 3fsw s GLU 91 CO 0.00 -0.46 0.29 -1.59 0.02 0.00 0.00 175.26 173.52 3fsw s LYS 92 N -4.56 0.68 0.01 1.61 -2.85 -1.26 -2.48 119.74 110.88 3fsw s LYS 92 Ca 0.54 -0.27 -0.15 0.00 -1.00 0.00 0.00 55.97 55.09 3fsw s LYS 92 Cb -0.10 0.30 0.02 0.00 -2.06 0.00 0.00 37.83 35.99 3fsw s LYS 92 CO 0.36 -0.19 0.33 0.34 0.10 0.00 0.00 175.35 176.29 3fsw s ASP 93 N -1.48 -0.20 -0.02 0.03 2.15 0.51 -5.00 116.67 112.67 3fsw s ASP 93 Ca -0.12 0.02 0.06 0.00 0.43 0.00 0.00 52.55 52.94 3fsw s ASP 93 Cb -0.05 0.34 -0.01 0.00 -0.30 0.00 0.00 42.92 42.90 3fsw s ASP 93 CO 0.03 -0.52 -0.19 -0.44 -0.17 0.00 0.00 175.17 173.88 3fsw s SER 94 N -1.60 2.21 -0.05 -0.34 0.01 -1.26 0.01 113.70 112.68 3fsw s SER 94 Ca -0.10 -0.34 0.06 0.00 1.31 0.00 0.00 55.95 56.87 3fsw s SER 94 Cb -0.03 -0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.90 3fsw s SER 94 CO 0.02 0.22 -0.22 0.54 0.41 0.00 0.00 173.24 174.21 3fsw s VAL 95 N -0.39 1.84 -0.04 3.43 0.11 -0.51 -4.91 120.40 119.93 3fsw s VAL 95 Ca 0.06 -0.95 0.05 0.00 -2.93 0.00 0.00 61.98 58.21 3fsw s VAL 95 Cb -0.08 -1.56 -0.01 0.00 -1.53 0.00 0.00 36.38 33.21 3fsw s VAL 95 CO -0.00 0.52 -0.17 -0.89 -3.33 0.00 0.00 175.10 171.22 3fsw s THR 96 N -0.10 1.41 0.09 5.04 2.01 -1.26 -0.19 115.64 122.63 3fsw s THR 96 Ca -0.03 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 3fsw s THR 96 Cb -0.13 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 3fsw s THR 96 CO 0.03 0.40 0.05 0.72 -0.69 0.00 0.00 174.62 175.13 3fsw s PHE 97 N -0.07 0.58 0.17 4.92 -0.71 -0.71 -4.97 117.98 117.18 3fsw s PHE 97 Ca -0.01 -1.04 -0.30 0.00 -1.04 0.00 0.00 56.93 54.53 3fsw s PHE 97 Cb -0.10 -0.36 -0.08 0.00 -1.21 0.00 0.00 43.02 41.27 3fsw s PHE 97 CO 0.01 -0.47 1.19 -0.51 -1.34 0.00 0.00 175.22 174.10 3fsw s ASP 98 N -2.96 7.10 0.45 1.98 -0.00 -1.26 -1.76 116.67 120.22 3fsw s ASP 98 Ca 0.13 2.19 0.23 0.00 -0.00 0.00 0.00 52.55 55.09 3fsw s ASP 98 Cb 0.07 -2.60 1.08 0.00 -0.00 0.00 0.00 42.92 41.47 3fsw s ASP 98 CO -0.06 -0.37 1.92 0.58 -0.00 0.00 0.00 175.17 177.24 3fsw h VAL 99 N 3.86 0.74 0.00 -1.27 2.07 -1.27 -2.37 116.25 118.02 3fsw h VAL 99 Ca -0.44 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 3fsw h VAL 99 Cb 1.21 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 3fsw h VAL 99 CO 0.75 0.22 -0.00 0.77 0.02 0.00 0.00 177.57 179.34 3fsw h SER 100 N 0.00 0.00 0.24 0.57 4.64 -1.89 -1.84 113.55 115.27 3fsw h SER 100 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3fsw h SER 100 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3fsw h SER 100 CO 0.03 0.00 -0.10 0.11 -0.87 0.00 0.00 176.83 176.00 3fsw h LYS 101 N 0.00 0.00 -5.79 4.77 6.56 -1.82 -3.42 116.57 116.87 3fsw h LYS 101 Ca -0.00 0.00 -0.58 0.00 -1.06 0.00 0.00 60.65 59.01 3fsw h LYS 101 Cb 0.22 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.80 3fsw h LYS 101 CO 0.00 0.10 -0.12 -0.51 -2.06 0.00 0.00 179.45 176.87 3fsw s LEU 102 N -7.64 4.30 0.10 2.94 1.43 -0.70 -5.07 118.68 114.04 3fsw s LEU 102 Ca -0.04 0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 53.66 3fsw s LEU 102 Cb 0.14 -2.74 -0.06 0.00 0.03 0.00 0.00 46.19 43.56 3fsw s LEU 102 CO 0.60 0.01 0.89 -1.59 0.23 0.00 0.00 176.35 176.48 3fsw s LYS 103 N 0.52 4.64 0.22 1.70 0.00 -1.26 -5.03 119.74 120.53 3fsw s LYS 103 Ca 0.27 1.31 -0.30 0.00 0.00 0.00 0.00 55.97 57.25 3fsw s LYS 103 Cb -0.16 -3.36 -0.09 0.00 0.00 0.00 0.00 37.83 34.22 3fsw s LYS 103 CO 0.11 0.28 1.39 -1.21 0.00 0.00 0.00 175.35 175.92 3fsw s GLU 104 N -0.16 4.31 0.00 1.78 2.02 -1.26 -3.27 118.70 122.12 3fsw s GLU 104 Ca 0.43 2.21 0.00 0.00 0.02 0.00 0.00 54.97 57.63 3fsw s GLU 104 Cb -0.23 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 30.86 3fsw s GLU 104 CO 0.28 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.60 3fsw n GLY 105 N 2.36 2.89 3.69 -1.39 0.00 -1.26 -5.03 105.19 106.46 3fsw n GLY 105 Ca 0.07 -0.77 -0.44 0.00 0.00 0.00 0.00 46.02 44.88 3fsw n GLY 105 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3fsw n GLU 106 N 0.00 2.54 -2.97 1.61 2.13 -1.20 -4.92 120.64 117.82 3fsw n GLU 106 Ca 0.00 0.92 -0.43 0.00 0.66 0.00 0.00 57.16 58.31 3fsw n GLU 106 Cb 0.00 -2.75 -0.05 0.00 0.27 0.00 0.00 31.44 28.91 3fsw n GLU 106 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3fsw s GLN 107 N 1.54 3.28 0.57 5.31 0.74 -1.26 -4.50 119.66 125.35 3fsw s GLN 107 Ca 0.79 -0.41 -0.08 0.00 0.05 0.00 0.00 55.36 55.70 3fsw s GLN 107 Cb -0.57 -4.03 -0.03 0.00 1.10 0.00 0.00 33.01 29.48 3fsw s GLN 107 CO 0.36 -1.30 0.93 0.71 -0.55 0.00 0.00 175.29 175.44 3fsw s TYR 108 N 3.37 3.54 -0.15 1.67 2.02 0.49 -4.39 117.35 123.90 3fsw s TYR 108 Ca 0.25 1.03 -0.05 0.00 -0.37 0.00 0.00 57.07 57.94 3fsw s TYR 108 Cb -0.14 -2.60 -0.03 0.00 -0.40 0.00 0.00 41.96 38.79 3fsw s TYR 108 CO 0.18 -0.59 0.01 -1.64 -1.57 0.00 0.00 175.55 171.94 3fsw s MET 109 N -5.01 3.64 0.11 -0.62 -1.94 -0.00 -0.56 119.30 114.91 3fsw s MET 109 Ca 0.52 -0.43 0.07 0.00 -1.71 0.00 0.00 55.69 54.15 3fsw s MET 109 Cb -0.11 -3.00 -0.04 0.00 2.01 0.00 0.00 34.83 33.69 3fsw s MET 109 CO 0.50 0.36 -0.10 -0.59 -0.01 0.00 0.00 175.02 175.17 3fsw s PHE 110 N 0.09 2.73 0.09 -0.03 -0.12 0.22 -1.63 117.98 119.34 3fsw s PHE 110 Ca 0.02 -0.16 -0.25 0.00 -0.05 0.00 0.00 56.93 56.49 3fsw s PHE 110 Cb -0.13 -1.42 0.08 0.00 -0.63 0.00 0.00 43.02 40.92 3fsw s PHE 110 CO 0.02 0.43 0.70 -0.59 -0.05 0.00 0.00 175.22 175.73 3fsw s PHE 111 N -1.26 -0.49 -0.19 3.49 -0.71 -0.54 -0.48 117.98 117.81 3fsw s PHE 111 Ca 0.22 0.34 -0.25 0.00 -1.04 0.00 0.00 56.93 56.20 3fsw s PHE 111 Cb -0.11 0.54 -0.01 0.00 -1.21 0.00 0.00 43.02 42.23 3fsw s PHE 111 CO 0.14 -0.74 0.81 0.00 -1.34 0.00 0.00 175.22 174.09 3fsw n ALA 113 N 5.36 2.88 -1.40 0.00 0.00 -1.26 -2.48 120.51 123.61 3fsw n ALA 113 Ca 0.04 -0.43 -0.36 0.00 0.00 0.00 0.00 53.44 52.69 3fsw n ALA 113 Cb 0.49 -1.13 0.07 0.00 0.00 0.00 0.00 19.45 18.88 3fsw n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fsw n ALA 114 N -0.28 -0.41 -1.54 0.00 0.00 -1.26 -4.52 120.51 112.50 3fsw n ALA 114 Ca 0.15 -0.15 -0.47 0.00 0.00 0.00 0.00 53.44 52.97 3fsw n ALA 114 Cb 0.36 -2.06 -0.05 0.00 0.00 0.00 0.00 19.45 17.70 3fsw n ALA 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fsw n ALA 115 N -2.30 1.39 -1.09 0.00 0.00 -1.26 -1.13 120.51 116.12 3fsw n ALA 115 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.43 3fsw n ALA 115 Cb 0.49 -2.71 -0.01 0.00 0.00 0.00 0.00 19.45 17.21 3fsw n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fsw n ALA 116 N 10.33 -0.04 -0.01 0.00 0.00 -1.26 -4.93 120.51 124.59 3fsw n ALA 116 Ca 0.34 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.87 3fsw n ALA 116 Cb 0.34 -0.66 -0.13 0.00 0.00 0.00 0.00 19.45 19.00 3fsw n ALA 116 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3fsw n HIS 117 N -2.86 0.34 0.11 0.00 -0.00 -0.28 -4.59 115.22 107.94 3fsw n HIS 117 Ca -0.03 0.11 0.06 0.00 -0.00 0.00 0.00 57.72 57.86 3fsw n HIS 117 Cb 0.12 -0.80 0.52 0.00 -0.00 0.00 0.00 29.99 29.83 3fsw n HIS 117 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3fsw h ALA 118 N 1.65 1.86 -0.16 -1.41 0.00 -1.65 0.22 119.26 119.76 3fsw h ALA 118 Ca -0.16 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 3fsw h ALA 118 Cb 1.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3fsw h ALA 118 CO 0.02 0.12 -0.56 0.00 0.00 0.00 0.00 179.25 178.83 3fsw h ALA 119 N 1.85 0.73 0.00 0.00 0.00 -1.88 -3.30 119.26 116.66 3fsw h ALA 119 Ca 0.09 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 3fsw h ALA 119 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3fsw h ALA 119 CO -0.02 0.69 -1.91 0.00 0.00 0.00 0.00 179.25 178.02 3fsw n ALA 120 N -2.51 2.43 -3.87 0.00 0.00 -0.80 -4.67 120.51 111.09 3fsw n ALA 120 Ca -0.03 -0.65 -0.29 0.00 0.00 0.00 0.00 53.44 52.47 3fsw n ALA 120 Cb 0.61 -0.70 -0.12 0.00 0.00 0.00 0.00 19.45 19.24 3fsw n ALA 120 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3fsw s MET 121 N -3.24 2.53 0.11 0.00 -1.94 0.71 -4.74 119.30 112.72 3fsw s MET 121 Ca -0.07 -3.30 -0.07 0.00 -1.71 0.00 0.00 55.69 50.54 3fsw s MET 121 Cb 0.11 -3.48 -0.01 0.00 2.01 0.00 0.00 34.83 33.46 3fsw s MET 121 CO 0.87 -1.27 0.17 -1.59 -0.01 0.00 0.00 175.02 173.18 3fsw s LYS 122 N -1.38 0.90 0.16 2.03 -2.85 -1.26 -1.64 119.74 115.70 3fsw s LYS 122 Ca 0.25 -1.10 -0.20 0.00 -1.00 0.00 0.00 55.97 53.91 3fsw s LYS 122 Cb -0.06 0.32 0.07 0.00 -2.06 0.00 0.00 37.83 36.10 3fsw s LYS 122 CO -0.15 -0.28 0.96 0.41 0.10 0.00 0.00 175.35 176.38 3fsw n GLY 123 N -0.08 0.64 3.63 0.59 0.00 0.36 -4.76 105.19 105.56 3fsw n GLY 123 Ca -0.12 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 3fsw n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fsw s THR 124 N -2.10 3.77 -0.10 2.61 -4.23 -0.47 -0.61 115.64 114.52 3fsw s THR 124 Ca 0.21 -0.88 -0.00 0.00 -1.18 0.00 0.00 61.69 59.84 3fsw s THR 124 Cb -0.03 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 71.13 3fsw s THR 124 CO 0.05 0.28 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.13 3fsw s LEU 125 N -1.79 1.07 -0.05 4.79 0.20 0.27 -0.58 118.68 122.59 3fsw s LEU 125 Ca 0.20 -0.24 0.02 0.00 0.69 0.00 0.00 54.13 54.81 3fsw s LEU 125 Cb -0.11 -0.71 0.01 0.00 -0.43 0.00 0.00 46.19 44.94 3fsw s LEU 125 CO 0.12 -0.12 -0.10 -0.89 -0.29 0.00 0.00 176.35 175.06 3fsw s THR 126 N 1.66 0.93 -0.68 3.68 2.01 -0.46 -0.38 115.64 122.40 3fsw s THR 126 Ca 0.03 -0.39 -0.26 0.00 0.31 0.00 0.00 61.69 61.37 3fsw s THR 126 Cb -0.13 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 3fsw s THR 126 CO -0.06 0.30 1.81 -0.22 -0.69 0.00 0.00 174.62 175.76 3fsw s LEU 127 N 0.49 3.26 0.00 4.42 2.96 -1.26 -1.19 118.68 127.36 3fsw s LEU 127 Ca -0.09 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 3fsw s LEU 127 Cb -0.13 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 44.02 3fsw s LEU 127 CO 0.02 -2.37 0.00 1.17 -1.32 0.00 0.00 176.35 173.85