#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fqw n ASP 3 N 0.00 3.92 0.20 0.00 2.03 -1.26 -4.84 116.55 116.60 1fqw n ASP 3 Ca 0.00 0.93 0.14 0.00 0.52 0.00 0.00 54.79 56.37 1fqw n ASP 3 Cb 0.00 -1.47 0.73 0.00 -0.72 0.00 0.00 41.12 39.65 1fqw n ASP 3 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1fqw h LYS 4 N 10.10 0.00 -0.00 -0.67 1.79 -1.97 0.51 116.57 126.32 1fqw h LYS 4 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1fqw h LYS 4 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1fqw h LYS 4 CO 0.94 0.00 -0.18 0.39 -1.08 0.00 0.00 179.45 179.52 1fqw n GLU 5 N -2.43 0.66 -1.59 3.15 -0.58 -1.26 -4.27 120.64 114.31 1fqw n GLU 5 Ca -0.02 -0.29 -0.49 0.00 -0.42 0.00 0.00 57.16 55.94 1fqw n GLU 5 Cb 0.04 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.37 1fqw n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1fqw n LEU 6 N -0.92 1.69 -4.69 -4.62 7.94 0.17 -4.83 117.00 111.75 1fqw n LEU 6 Ca 0.13 1.13 -0.37 0.00 -1.11 0.00 0.00 56.01 55.79 1fqw n LEU 6 Cb 0.31 -1.23 -0.08 0.00 0.53 0.00 0.00 43.42 42.96 1fqw n LEU 6 CO 0.25 -1.15 0.02 -0.75 -1.11 0.00 0.00 177.39 174.65 1fqw s LYS 7 N -0.10 4.19 0.09 1.96 2.20 -1.26 -4.55 119.74 122.26 1fqw s LYS 7 Ca 0.76 0.10 0.03 0.00 -0.36 0.00 0.00 55.97 56.51 1fqw s LYS 7 Cb -0.86 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 31.92 1fqw s LYS 7 CO 0.50 0.07 0.07 -0.06 -0.36 0.00 0.00 175.35 175.57 1fqw s PHE 8 N 0.99 3.15 -0.16 4.03 0.40 -0.44 -1.37 117.98 124.58 1fqw s PHE 8 Ca 0.17 0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.55 1fqw s PHE 8 Cb -0.14 -1.60 0.03 0.00 0.51 0.00 0.00 43.02 41.82 1fqw s PHE 8 CO 0.06 0.51 -0.14 -1.17 0.70 0.00 0.00 175.22 175.19 1fqw s LEU 9 N -2.41 1.88 -0.30 -0.37 2.96 -0.87 -0.22 118.68 119.34 1fqw s LEU 9 Ca 0.29 -0.60 -0.09 0.00 -0.22 0.00 0.00 54.13 53.51 1fqw s LEU 9 Cb -0.12 -1.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 1fqw s LEU 9 CO 0.21 -0.07 0.13 -0.69 -1.32 0.00 0.00 176.35 174.61 1fqw s VAL 10 N 1.44 4.44 -0.19 1.68 1.01 0.16 -1.83 120.40 127.12 1fqw s VAL 10 Ca 0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1fqw s VAL 10 Cb -0.14 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 1fqw s VAL 10 CO -0.10 0.12 -0.11 -0.69 0.00 0.00 0.00 175.10 174.32 1fqw s VAL 11 N 1.59 2.93 -0.16 2.92 1.01 -0.44 -0.84 120.40 127.42 1fqw s VAL 11 Ca 0.05 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 1fqw s VAL 11 Cb -0.17 -2.29 0.11 0.00 0.00 0.00 0.00 36.38 34.04 1fqw s VAL 11 CO 0.05 0.48 0.93 -0.62 0.00 0.00 0.00 175.10 175.94 1fqw s ASP 12 N 1.22 -0.45 0.00 3.32 -1.08 -0.99 -1.25 116.67 117.43 1fqw s ASP 12 Ca 0.02 0.56 0.29 0.00 -0.52 0.00 0.00 52.55 52.91 1fqw s ASP 12 Cb -0.14 0.46 1.31 0.00 -1.46 0.00 0.00 42.92 43.09 1fqw s ASP 12 CO -0.04 -0.37 1.89 -0.90 0.52 0.00 0.00 175.17 176.27 1fqw n ASP 13 N 1.02 0.79 -4.14 -0.34 5.75 -1.23 -4.18 116.55 114.23 1fqw n ASP 13 Ca -0.12 -1.08 -0.32 0.00 -0.01 0.00 0.00 54.79 53.26 1fqw n ASP 13 Cb 0.57 -0.01 -0.16 0.00 -1.03 0.00 0.00 41.12 40.49 1fqw n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1fqw s PHE 14 N -2.16 2.56 0.20 2.11 0.08 -1.26 -5.04 117.98 114.47 1fqw s PHE 14 Ca 0.37 -1.34 -0.12 0.00 0.12 0.00 0.00 56.93 55.97 1fqw s PHE 14 Cb 0.21 -1.77 0.25 0.00 -0.57 0.00 0.00 43.02 41.14 1fqw s PHE 14 CO 0.39 -0.64 1.69 0.66 -0.10 0.00 0.00 175.22 177.23 1fqw h SER 15 N 7.50 -0.12 -0.73 1.36 4.64 -2.00 -2.70 113.55 121.51 1fqw h SER 15 Ca -0.35 0.12 0.15 0.00 -0.47 0.00 0.00 61.79 61.24 1fqw h SER 15 Cb 1.18 0.19 -0.14 0.00 -0.31 0.00 0.00 62.40 63.32 1fqw h SER 15 CO 0.56 -0.04 -0.15 0.74 -0.87 0.00 0.00 176.83 177.07 1fqw h THR 16 N 0.18 0.28 -0.32 2.95 2.02 -1.99 0.22 112.91 116.26 1fqw h THR 16 Ca 0.29 -0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.38 1fqw h THR 16 Cb 0.44 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1fqw h THR 16 CO -0.42 0.00 -0.14 -0.03 0.37 0.00 0.00 175.52 175.30 1fqw h MET 17 N 0.01 0.66 -0.85 6.66 -1.53 -1.91 -0.83 114.93 117.14 1fqw h MET 17 Ca 0.36 -0.28 -0.01 0.00 -3.44 0.00 0.00 59.70 56.32 1fqw h MET 17 Cb 0.57 -0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.55 1fqw h MET 17 CO -0.74 0.87 0.49 0.00 0.14 0.00 0.00 176.91 177.67 1fqw h ARG 18 N 0.43 1.18 -0.68 0.39 3.08 -1.21 -1.71 114.38 115.86 1fqw h ARG 18 Ca 0.07 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1fqw h ARG 18 Cb 0.67 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1fqw h ARG 18 CO 0.04 0.85 0.32 -0.09 -1.07 0.00 0.00 179.97 180.02 1fqw h ARG 19 N 1.18 0.99 -0.40 0.04 2.43 -0.35 0.17 114.38 118.45 1fqw h ARG 19 Ca 0.30 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1fqw h ARG 19 Cb -0.00 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1fqw h ARG 19 CO -0.05 0.79 0.23 0.82 -1.51 0.00 0.00 179.97 180.25 1fqw h ILE 20 N 0.95 1.14 -0.42 1.20 2.04 -0.75 -1.05 117.51 120.61 1fqw h ILE 20 Ca 0.23 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 1fqw h ILE 20 Cb 0.14 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1fqw h ILE 20 CO -0.03 0.14 0.00 0.58 0.00 0.00 0.00 178.15 178.85 1fqw h VAL 21 N 0.51 1.26 -0.20 1.67 2.07 -0.99 -1.13 116.25 119.45 1fqw h VAL 21 Ca 0.14 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.67 1fqw h VAL 21 Cb 0.03 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1fqw h VAL 21 CO -0.02 0.35 0.02 -0.09 0.02 0.00 0.00 177.57 177.84 1fqw h ARG 22 N 0.58 0.09 -0.35 1.57 2.43 -0.86 0.16 114.38 118.00 1fqw h ARG 22 Ca 0.12 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1fqw h ARG 22 Cb 0.48 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1fqw h ARG 22 CO 0.02 0.06 0.20 -0.91 -1.51 0.00 0.00 179.97 177.83 1fqw h ASN 23 N 0.09 0.43 -0.58 -3.80 4.21 -1.03 -1.15 115.58 113.75 1fqw h ASN 23 Ca 0.09 -0.07 0.04 0.00 1.21 0.00 0.00 56.30 57.57 1fqw h ASN 23 Cb 0.10 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 37.15 1fqw h ASN 23 CO -0.14 0.38 0.33 -0.07 -1.29 0.00 0.00 177.43 176.64 1fqw h LEU 24 N 0.45 0.51 -0.92 1.61 3.38 -0.88 -0.83 115.31 118.63 1fqw h LEU 24 Ca 0.12 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1fqw h LEU 24 Cb 0.03 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1fqw h LEU 24 CO -0.02 0.35 0.57 -0.07 0.09 0.00 0.00 178.44 179.36 1fqw h LEU 25 N 0.64 0.88 -0.56 1.67 3.38 -0.24 -1.13 115.31 119.94 1fqw h LEU 25 Ca 0.25 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 1fqw h LEU 25 Cb 0.10 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1fqw h LEU 25 CO -0.14 0.54 0.25 0.50 0.09 0.00 0.00 178.44 179.68 1fqw h LYS 26 N 1.01 0.83 -0.72 1.13 3.64 -0.01 -1.06 116.57 121.39 1fqw h LYS 26 Ca 0.41 -0.14 0.15 0.00 -1.27 0.00 0.00 60.65 59.80 1fqw h LYS 26 Cb 0.25 -0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 31.83 1fqw h LYS 26 CO -0.20 0.70 0.20 0.93 -2.27 0.00 0.00 179.45 178.81 1fqw h GLU 27 N 0.77 0.30 0.00 1.90 4.39 0.03 0.13 114.58 122.10 1fqw h GLU 27 Ca 0.19 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1fqw h GLU 27 Cb 0.16 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1fqw h GLU 27 CO -0.02 0.20 0.00 1.28 -1.16 0.00 0.00 179.01 179.31 1fqw n LEU 28 N -5.11 0.00 0.00 1.33 4.77 -0.70 -4.86 117.00 112.43 1fqw n LEU 28 Ca 0.13 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1fqw n LEU 28 Cb 0.43 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1fqw n LEU 28 CO 0.15 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1fqw n GLY 29 N 0.25 0.86 3.45 -0.72 0.00 0.46 -5.06 105.19 104.42 1fqw n GLY 29 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1fqw n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fqw s PHE 30 N -2.00 3.20 -0.54 1.61 0.08 -0.49 -4.79 117.98 115.06 1fqw s PHE 30 Ca 0.00 -0.56 0.08 0.00 0.12 0.00 0.00 56.93 56.56 1fqw s PHE 30 Cb 0.00 -2.41 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 1fqw s PHE 30 CO 0.00 -0.48 0.44 0.09 -0.10 0.00 0.00 175.22 175.17 1fqw n ASN 31 N 5.02 0.73 -4.44 1.36 3.02 -1.26 -2.87 115.26 116.82 1fqw n ASN 31 Ca -0.13 -0.86 -0.44 0.00 -0.03 0.00 0.00 54.58 53.11 1fqw n ASN 31 Cb 0.49 0.71 -0.00 0.00 -0.61 0.00 0.00 39.78 40.37 1fqw n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1fqw s ASN 32 N -1.40 7.04 -0.02 6.41 2.47 -1.26 -4.97 114.94 123.21 1fqw s ASN 32 Ca 0.05 -2.96 0.02 0.00 0.42 0.00 0.00 52.86 50.39 1fqw s ASN 32 Cb 0.06 -2.36 0.00 0.00 -1.45 0.00 0.00 41.25 37.50 1fqw s ASN 32 CO 0.24 -0.70 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.14 1fqw s VAL 33 N 1.19 0.73 0.20 -5.21 1.01 -1.26 -1.32 120.40 115.74 1fqw s VAL 33 Ca 0.38 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1fqw s VAL 33 Cb -0.05 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1fqw s VAL 33 CO -0.03 0.23 -0.17 -1.61 0.00 0.00 0.00 175.10 173.52 1fqw s GLU 34 N 0.16 1.34 0.21 2.72 0.41 0.69 -4.97 118.70 119.26 1fqw s GLU 34 Ca -0.02 -1.53 0.10 0.00 -0.41 0.00 0.00 54.97 53.11 1fqw s GLU 34 Cb -0.08 -1.27 -0.04 0.00 -1.78 0.00 0.00 34.13 30.95 1fqw s GLU 34 CO 0.00 0.24 -0.15 -1.21 -0.49 0.00 0.00 175.26 173.64 1fqw s GLU 35 N -3.27 1.83 0.02 1.61 2.02 -1.26 0.40 118.70 120.05 1fqw s GLU 35 Ca 0.20 -1.47 -0.06 0.00 0.02 0.00 0.00 54.97 53.66 1fqw s GLU 35 Cb -0.03 -1.98 -0.00 0.00 0.10 0.00 0.00 34.13 32.21 1fqw s GLU 35 CO 0.08 0.39 0.12 0.00 0.02 0.00 0.00 175.26 175.87 1fqw s ALA 36 N -1.93 -0.20 -1.97 5.21 0.00 -0.02 -4.87 121.76 117.98 1fqw s ALA 36 Ca 0.25 -0.34 0.20 0.00 0.00 0.00 0.00 51.96 52.07 1fqw s ALA 36 Cb -0.07 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1fqw s ALA 36 CO 0.14 -0.27 1.02 -0.85 0.00 0.00 0.00 175.76 175.80 1fqw n GLU 37 N 1.09 1.55 -3.90 0.00 0.28 -1.26 -2.35 120.64 116.05 1fqw n GLU 37 Ca -0.21 -1.11 0.00 0.00 -0.16 0.00 0.00 57.16 55.68 1fqw n GLU 37 Cb 0.57 -1.38 0.01 0.00 1.43 0.00 0.00 31.44 32.07 1fqw n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1fqw s ASP 38 N -2.08 -0.01 0.18 -1.84 1.47 -1.26 -3.58 116.67 109.54 1fqw s ASP 38 Ca 0.18 -0.36 -0.14 0.00 1.18 0.00 0.00 52.55 53.41 1fqw s ASP 38 Cb 0.16 0.28 0.15 0.00 -0.34 0.00 0.00 42.92 43.17 1fqw s ASP 38 CO 0.43 -0.54 1.72 1.23 0.68 0.00 0.00 175.17 178.69 1fqw h GLY 39 N 2.00 0.54 0.92 2.12 0.00 -1.42 0.20 103.07 107.43 1fqw h GLY 39 Ca -0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1fqw h GLY 39 CO 0.32 -0.06 -0.30 -2.08 0.00 0.00 0.00 176.54 174.42 1fqw h VAL 40 N 0.22 0.34 -0.89 4.60 2.07 -1.89 0.52 116.25 121.22 1fqw h VAL 40 Ca 0.22 -0.13 0.14 0.00 0.82 0.00 0.00 66.70 67.75 1fqw h VAL 40 Cb 0.29 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.36 1fqw h VAL 40 CO -0.30 0.02 0.49 -0.78 0.02 0.00 0.00 177.57 177.02 1fqw h ASP 41 N -0.94 0.63 -0.17 0.57 3.58 -1.94 0.20 116.42 118.37 1fqw h ASP 41 Ca -0.09 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1fqw h ASP 41 Cb 0.68 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 1fqw h ASP 41 CO 0.14 0.29 0.08 0.00 -2.88 0.00 0.00 179.24 176.87 1fqw h ALA 42 N 1.55 0.21 -0.58 -0.78 0.00 -0.15 -2.44 119.26 117.08 1fqw h ALA 42 Ca 0.47 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 1fqw h ALA 42 Cb 0.63 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1fqw h ALA 42 CO -0.34 -0.23 0.21 -0.07 0.00 0.00 0.00 179.25 178.83 1fqw h LEU 43 N 0.14 0.79 -0.93 0.00 3.38 0.17 -1.75 115.31 117.11 1fqw h LEU 43 Ca 0.06 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1fqw h LEU 43 Cb 0.12 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1fqw h LEU 43 CO -0.01 0.73 0.61 0.78 0.09 0.00 0.00 178.44 180.64 1fqw h ASN 44 N 0.84 1.06 -0.10 -0.43 -0.26 -0.38 0.25 115.58 116.57 1fqw h ASN 44 Ca 0.20 -0.02 -0.18 0.00 -0.56 0.00 0.00 56.30 55.73 1fqw h ASN 44 Cb 0.20 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.20 1fqw h ASN 44 CO -0.01 0.76 -0.59 0.11 -1.06 0.00 0.00 177.43 176.63 1fqw h LYS 45 N 1.25 0.71 -0.56 0.81 1.57 -1.05 -2.64 116.57 116.65 1fqw h LYS 45 Ca 0.35 -0.47 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1fqw h LYS 45 Cb -0.12 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1fqw h LYS 45 CO -0.08 1.09 0.21 -0.07 -0.57 0.00 0.00 179.45 180.03 1fqw h LEU 46 N 0.53 0.75 -0.29 2.94 3.38 -0.92 -1.95 115.31 119.75 1fqw h LEU 46 Ca -0.00 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1fqw h LEU 46 Cb 1.18 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 1fqw h LEU 46 CO 0.12 0.68 -0.00 -0.61 0.09 0.00 0.00 178.44 178.72 1fqw h GLN 47 N 0.80 0.08 -0.17 1.13 4.15 -0.78 -0.86 115.11 119.46 1fqw h GLN 47 Ca 0.19 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.65 1fqw h GLN 47 Cb 0.18 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1fqw h GLN 47 CO -0.01 0.05 0.45 0.00 -1.93 0.00 0.00 178.83 177.39 1fqw h ALA 48 N 1.25 1.70 0.00 3.38 0.00 -0.99 -3.47 119.26 121.13 1fqw h ALA 48 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1fqw h ALA 48 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1fqw h ALA 48 CO -0.24 -0.54 0.00 0.41 0.00 0.00 0.00 179.25 178.88 1fqw n GLY 49 N -1.35 -0.63 1.46 0.00 0.00 -0.33 -5.02 105.19 99.33 1fqw n GLY 49 Ca 0.02 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1fqw n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fqw n GLY 50 N -0.64 3.13 3.76 -0.02 0.00 -1.26 -4.94 105.19 105.21 1fqw n GLY 50 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1fqw n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fqw s TYR 51 N -2.13 2.93 0.00 1.61 2.02 -1.26 -4.59 117.35 115.92 1fqw s TYR 51 Ca 0.00 1.09 0.00 0.00 -0.37 0.00 0.00 57.07 57.79 1fqw s TYR 51 Cb 0.00 -3.86 0.00 0.00 -0.40 0.00 0.00 41.96 37.70 1fqw s TYR 51 CO 0.00 -2.68 0.83 0.41 -1.57 0.00 0.00 175.55 172.54 1fqw n GLY 52 N 1.68 1.56 3.63 0.71 0.00 -0.47 -4.97 105.19 107.32 1fqw n GLY 52 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1fqw n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fqw s PHE 53 N -0.69 -0.35 -0.00 1.61 2.19 -1.11 -4.44 117.98 115.18 1fqw s PHE 53 Ca 0.00 0.81 0.05 0.00 0.33 0.00 0.00 56.93 58.12 1fqw s PHE 53 Cb 0.00 0.41 -0.01 0.00 -1.31 0.00 0.00 43.02 42.10 1fqw s PHE 53 CO 0.00 -0.20 -0.16 0.08 1.83 0.00 0.00 175.22 176.77 1fqw s VAL 54 N -0.13 1.27 -0.16 3.12 1.01 0.04 -2.05 120.40 123.49 1fqw s VAL 54 Ca 0.03 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1fqw s VAL 54 Cb -0.04 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.31 1fqw s VAL 54 CO -0.07 0.32 -0.08 -0.63 0.00 0.00 0.00 175.10 174.64 1fqw s ILE 55 N -0.44 1.25 0.03 2.22 1.01 -0.76 -0.25 121.20 124.25 1fqw s ILE 55 Ca 0.06 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.12 1fqw s ILE 55 Cb -0.06 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 1fqw s ILE 55 CO -0.00 0.23 -0.11 -0.55 0.00 0.00 0.00 174.94 174.50 1fqw s SER 56 N 1.59 1.28 0.97 3.58 0.15 0.23 -1.33 113.70 120.17 1fqw s SER 56 Ca 0.02 -0.40 -0.16 0.00 0.70 0.00 0.00 55.95 56.11 1fqw s SER 56 Cb -0.15 -0.07 0.19 0.00 -1.71 0.00 0.00 66.02 64.29 1fqw s SER 56 CO -0.08 -0.01 1.25 -0.62 1.20 0.00 0.00 173.24 174.98 1fqw s ASP 57 N -1.02 3.00 -0.04 5.45 2.15 -0.38 -0.17 116.67 125.65 1fqw s ASP 57 Ca -0.01 0.46 -0.09 0.00 0.43 0.00 0.00 52.55 53.34 1fqw s ASP 57 Cb -0.07 -0.65 -0.03 0.00 -0.30 0.00 0.00 42.92 41.87 1fqw s ASP 57 CO 0.01 -2.82 -0.17 1.87 -0.17 0.00 0.00 175.17 173.89 1fqw n TRP 58 N -3.86 0.00 -2.40 -5.34 -0.00 -1.26 -3.94 117.44 100.64 1fqw n TRP 58 Ca 0.13 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.22 1fqw n TRP 58 Cb 0.60 -0.24 -0.03 0.00 -0.00 0.00 0.00 31.31 31.64 1fqw n TRP 58 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1fqw s ASN 59 N -5.82 6.11 -0.10 5.87 2.47 -1.26 -0.89 114.94 121.32 1fqw s ASN 59 Ca -0.14 0.21 -0.17 0.00 0.42 0.00 0.00 52.86 53.17 1fqw s ASN 59 Cb 0.02 -2.55 0.04 0.00 -1.45 0.00 0.00 41.25 37.31 1fqw s ASN 59 CO 0.21 -1.74 0.42 -0.04 -3.72 0.00 0.00 177.10 172.23 1fqw s MET 60 N 5.57 0.64 0.87 0.43 -1.94 -1.26 -4.66 119.30 118.95 1fqw s MET 60 Ca 0.51 0.28 -0.12 0.00 -1.71 0.00 0.00 55.69 54.65 1fqw s MET 60 Cb -0.10 0.30 0.11 0.00 2.01 0.00 0.00 34.83 37.15 1fqw s MET 60 CO 0.24 -0.14 1.12 -1.25 -0.01 0.00 0.00 175.02 174.97 1fqw s PRO 61 N -0.51 1.49 0.00 2.03 0.04 -1.26 -3.65 135.00 133.14 1fqw s PRO 61 Ca -0.06 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1fqw s PRO 61 Cb -0.03 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1fqw s PRO 61 CO 0.03 -1.99 0.00 0.09 0.04 0.00 0.00 177.00 175.17 1fqw n ASN 62 N -3.66 0.00 -3.49 6.66 3.02 -1.26 -4.47 115.26 112.07 1fqw n ASN 62 Ca 0.07 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.57 1fqw n ASN 62 Cb 0.58 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.69 1fqw n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1fqw s MET 63 N 0.00 0.43 1.01 3.52 1.75 -1.26 -4.87 119.30 119.88 1fqw s MET 63 Ca 0.00 1.01 -0.16 0.00 -1.25 0.00 0.00 55.69 55.30 1fqw s MET 63 Cb 0.00 0.32 0.20 0.00 2.84 0.00 0.00 34.83 38.19 1fqw s MET 63 CO 0.00 -0.40 1.19 0.16 -0.65 0.00 0.00 175.02 175.32 1fqw s ASP 64 N 2.71 2.63 0.36 1.11 1.47 -1.24 -1.31 116.67 122.41 1fqw s ASP 64 Ca 0.05 0.63 0.10 0.00 1.18 0.00 0.00 52.55 54.51 1fqw s ASP 64 Cb -0.13 -0.93 0.69 0.00 -0.34 0.00 0.00 42.92 42.21 1fqw s ASP 64 CO -0.16 -3.06 1.83 1.23 0.68 0.00 0.00 175.17 175.68 1fqw h GLY 65 N -1.86 0.14 0.78 2.12 0.00 -1.14 -0.45 103.07 102.65 1fqw h GLY 65 Ca -0.47 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 1fqw h GLY 65 CO 0.46 0.10 -0.03 -2.00 0.00 0.00 0.00 176.54 175.06 1fqw h LEU 66 N 0.11 0.31 -0.67 3.11 6.46 -1.85 0.41 115.31 123.19 1fqw h LEU 66 Ca 0.02 -0.36 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 1fqw h LEU 66 Cb 0.60 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1fqw h LEU 66 CO 0.04 0.60 0.43 -0.33 -0.62 0.00 0.00 178.44 178.56 1fqw h GLU 67 N 0.02 0.90 -0.08 1.25 4.39 -1.90 0.10 114.58 119.27 1fqw h GLU 67 Ca 0.04 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1fqw h GLU 67 Cb 0.46 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1fqw h GLU 67 CO 0.01 0.61 0.05 1.25 -1.16 0.00 0.00 179.01 179.78 1fqw h LEU 68 N 0.91 0.09 -0.11 1.33 5.85 -0.95 0.26 115.31 122.70 1fqw h LEU 68 Ca 0.24 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1fqw h LEU 68 Cb -0.07 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1fqw h LEU 68 CO -0.05 0.08 -0.11 0.25 -0.34 0.00 0.00 178.44 178.27 1fqw h LEU 69 N 0.09 -0.33 -0.86 2.25 5.85 -0.48 -0.25 115.31 121.58 1fqw h LEU 69 Ca 0.03 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1fqw h LEU 69 Cb 0.00 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1fqw h LEU 69 CO -0.01 -0.15 0.56 0.11 -0.34 0.00 0.00 178.44 178.62 1fqw h LYS 70 N -0.13 1.10 -0.27 1.25 1.57 -0.53 -1.66 116.57 117.91 1fqw h LYS 70 Ca 0.08 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1fqw h LYS 70 Cb 0.24 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1fqw h LYS 70 CO -0.19 0.73 0.15 1.15 -0.57 0.00 0.00 179.45 180.73 1fqw h THR 71 N 1.14 1.03 -0.45 -0.16 2.02 0.12 -1.85 112.91 114.76 1fqw h THR 71 Ca 0.32 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 1fqw h THR 71 Cb -0.09 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1fqw h THR 71 CO -0.08 0.06 0.27 0.40 0.37 0.00 0.00 175.52 176.53 1fqw h ILE 72 N 0.32 1.15 0.00 3.11 2.04 -0.60 -2.41 117.51 121.11 1fqw h ILE 72 Ca 0.10 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1fqw h ILE 72 Cb -0.00 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1fqw h ILE 72 CO -0.05 0.15 -0.25 0.03 0.00 0.00 0.00 178.15 178.03 1fqw h ARG 73 N 0.60 0.00 -0.00 2.37 2.47 -1.20 -1.74 114.38 116.88 1fqw h ARG 73 Ca 0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1fqw h ARG 73 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1fqw h ARG 73 CO -0.03 0.25 -0.46 0.00 0.56 0.00 0.00 179.97 180.29 1fqw n ALA 74 N -2.37 3.47 -2.68 0.04 0.00 -0.71 -4.44 120.51 113.83 1fqw n ALA 74 Ca -0.02 -0.36 -0.40 0.00 0.00 0.00 0.00 53.44 52.67 1fqw n ALA 74 Cb 0.34 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 1fqw n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1fqw s ASP 75 N -2.93 6.85 0.34 0.00 2.15 -0.93 -4.96 116.67 117.19 1fqw s ASP 75 Ca 0.13 1.03 0.03 0.00 0.43 0.00 0.00 52.55 54.17 1fqw s ASP 75 Cb 0.18 -2.40 0.64 0.00 -0.30 0.00 0.00 42.92 41.04 1fqw s ASP 75 CO 0.67 -0.26 1.95 1.23 -0.17 0.00 0.00 175.17 178.59 1fqw h GLY 76 N 7.82 1.06 1.48 2.66 0.00 -1.88 0.59 103.07 114.80 1fqw h GLY 76 Ca -0.33 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1fqw h GLY 76 CO 0.79 0.28 -0.13 0.00 0.00 0.00 0.00 176.54 177.48 1fqw n ALA 77 N -2.43 2.70 0.00 3.60 0.00 -1.26 -4.25 120.51 118.86 1fqw n ALA 77 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1fqw n ALA 77 Cb 0.17 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1fqw n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1fqw n MET 78 N -1.34 3.60 -0.56 0.00 2.81 -0.79 -4.92 117.12 115.92 1fqw n MET 78 Ca 0.10 0.00 0.44 0.00 -1.81 0.00 0.00 57.70 56.42 1fqw n MET 78 Cb 0.31 -0.36 0.69 0.00 -0.71 0.00 0.00 33.22 33.15 1fqw n MET 78 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1fqw n SER 79 N -0.59 0.06 -0.75 7.83 3.41 0.20 -0.16 113.62 123.62 1fqw n SER 79 Ca 0.00 1.00 0.12 0.00 -0.26 0.00 0.00 58.87 59.73 1fqw n SER 79 Cb 0.00 -0.50 0.09 0.00 -0.26 0.00 0.00 64.21 63.54 1fqw n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fqw n ALA 80 N -2.72 2.88 -1.67 7.33 0.00 -1.26 -4.46 120.51 120.60 1fqw n ALA 80 Ca 0.39 -0.66 -0.48 0.00 0.00 0.00 0.00 53.44 52.69 1fqw n ALA 80 Cb 1.67 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 20.24 1fqw n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1fqw n LEU 81 N 0.75 3.17 -4.74 0.00 7.94 0.78 -4.89 117.00 120.01 1fqw n LEU 81 Ca 0.12 1.03 -0.42 0.00 -1.11 0.00 0.00 56.01 55.64 1fqw n LEU 81 Cb 0.54 -1.38 -0.02 0.00 0.53 0.00 0.00 43.42 43.09 1fqw n LEU 81 CO 0.20 -0.22 1.27 -2.84 -1.11 0.00 0.00 177.39 174.70 1fqw s PRO 82 N 2.50 4.14 -0.17 1.96 0.02 -1.26 -4.90 135.00 137.28 1fqw s PRO 82 Ca 0.86 2.56 -0.01 0.00 0.02 0.00 0.00 61.00 64.43 1fqw s PRO 82 Cb -0.71 -3.05 0.05 0.00 0.02 0.00 0.00 34.50 30.81 1fqw s PRO 82 CO 0.46 -0.65 -0.01 0.08 -0.33 0.00 0.00 177.00 176.54 1fqw s VAL 83 N 0.38 0.83 -0.34 3.83 1.01 -1.26 -0.78 120.40 124.08 1fqw s VAL 83 Ca 0.67 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 1fqw s VAL 83 Cb -0.48 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1fqw s VAL 83 CO 0.42 -0.01 0.17 -0.22 0.00 0.00 0.00 175.10 175.47 1fqw s LEU 84 N 1.74 4.37 0.21 3.92 2.96 0.65 -1.11 118.68 131.42 1fqw s LEU 84 Ca -0.00 -0.73 -0.30 0.00 -0.22 0.00 0.00 54.13 52.88 1fqw s LEU 84 Cb -0.16 -2.01 -0.08 0.00 0.50 0.00 0.00 46.19 44.44 1fqw s LEU 84 CO -0.07 -0.28 1.05 -0.04 -1.32 0.00 0.00 176.35 175.68 1fqw s MET 85 N 1.58 4.68 -0.29 1.98 -1.94 -0.84 -0.60 119.30 123.86 1fqw s MET 85 Ca 0.03 1.65 -0.03 0.00 -1.71 0.00 0.00 55.69 55.64 1fqw s MET 85 Cb -0.18 -3.27 0.10 0.00 2.01 0.00 0.00 34.83 33.49 1fqw s MET 85 CO 0.06 0.23 0.12 0.08 -0.01 0.00 0.00 175.02 175.50 1fqw s VAL 86 N -0.64 0.23 0.13 -6.03 1.01 0.76 -0.11 120.40 115.76 1fqw s VAL 86 Ca 0.46 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 1fqw s VAL 86 Cb -0.28 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 1fqw s VAL 86 CO 0.35 -0.69 0.22 0.28 0.00 0.00 0.00 175.10 175.26 1fqw s THR 87 N 1.95 0.10 -0.55 3.92 -1.32 -0.26 -3.66 115.64 115.81 1fqw s THR 87 Ca 0.09 -1.38 0.24 0.00 -1.21 0.00 0.00 61.69 59.43 1fqw s THR 87 Cb -0.16 -1.70 0.20 0.00 -1.51 0.00 0.00 72.50 69.33 1fqw s THR 87 CO -0.32 -0.44 1.51 0.00 -2.21 0.00 0.00 174.62 173.15 1fqw h ALA 88 N 2.65 0.82 -2.10 11.08 0.00 -1.86 0.37 119.26 130.23 1fqw h ALA 88 Ca -0.33 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.02 1fqw h ALA 88 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1fqw h ALA 88 CO 0.52 0.00 1.31 -1.21 0.00 0.00 0.00 179.25 179.88 1fqw s GLU 89 N -3.19 3.60 -0.02 0.00 0.41 -1.26 -4.72 118.70 113.51 1fqw s GLU 89 Ca 0.07 2.07 0.04 0.00 -0.41 0.00 0.00 54.97 56.73 1fqw s GLU 89 Cb 0.10 -4.22 0.06 0.00 -1.78 0.00 0.00 34.13 28.29 1fqw s GLU 89 CO 0.68 -1.56 0.94 0.00 -0.49 0.00 0.00 175.26 174.83 1fqw n ALA 90 N 9.62 1.87 -1.78 5.21 0.00 -1.26 -4.85 120.51 129.32 1fqw n ALA 90 Ca 0.24 -1.22 -0.37 0.00 0.00 0.00 0.00 53.44 52.08 1fqw n ALA 90 Cb 0.44 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 1fqw n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1fqw s LYS 91 N -1.13 4.17 0.42 0.00 1.02 -1.26 -4.92 119.74 118.05 1fqw s LYS 91 Ca 0.06 1.63 0.09 0.00 0.02 0.00 0.00 55.97 57.77 1fqw s LYS 91 Cb 0.05 -2.64 0.93 0.00 -0.52 0.00 0.00 37.83 35.65 1fqw s LYS 91 CO 0.01 -0.16 2.04 0.87 -0.92 0.00 0.00 175.35 177.19 1fqw h LYS 92 N 2.65 0.47 0.00 1.68 1.79 -1.99 -1.28 116.57 119.89 1fqw h LYS 92 Ca -0.48 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 57.93 1fqw h LYS 92 Cb 1.22 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1fqw h LYS 92 CO 0.63 0.31 -0.12 0.93 -1.08 0.00 0.00 179.45 180.12 1fqw h GLU 93 N 0.49 0.00 0.07 3.15 4.39 -1.99 0.78 114.58 121.47 1fqw h GLU 93 Ca 0.17 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.56 1fqw h GLU 93 Cb 0.10 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1fqw h GLU 93 CO -0.04 0.12 -1.68 -0.91 -1.16 0.00 0.00 179.01 175.34 1fqw h ASN 94 N 0.00 0.24 -0.64 1.42 2.35 -1.62 -2.29 115.58 115.04 1fqw h ASN 94 Ca -0.00 -0.43 -0.08 0.00 -0.55 0.00 0.00 56.30 55.24 1fqw h ASN 94 Cb 0.36 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1fqw h ASN 94 CO 0.02 1.38 0.09 0.40 -1.65 0.00 0.00 177.43 177.66 1fqw h ILE 95 N 0.04 1.26 -0.14 2.81 2.04 -1.17 -1.35 117.51 121.01 1fqw h ILE 95 Ca -0.29 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 1fqw h ILE 95 Cb 2.01 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 1fqw h ILE 95 CO 0.11 0.39 0.03 0.40 0.00 0.00 0.00 178.15 179.08 1fqw h ILE 96 N 0.98 1.21 -0.83 -0.67 2.04 -0.93 -0.01 117.51 119.30 1fqw h ILE 96 Ca 0.19 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.42 1fqw h ILE 96 Cb 0.45 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1fqw h ILE 96 CO 0.02 0.19 0.55 0.00 0.00 0.00 0.00 178.15 178.91 1fqw h ALA 97 N 0.82 1.44 0.06 1.87 0.00 -1.21 0.27 119.26 122.51 1fqw h ALA 97 Ca 0.04 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1fqw h ALA 97 Cb 0.27 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1fqw h ALA 97 CO 0.00 0.50 -1.08 0.00 0.00 0.00 0.00 179.25 178.67 1fqw h ALA 98 N 1.49 0.25 -0.01 0.00 0.00 -1.16 -1.16 119.26 118.67 1fqw h ALA 98 Ca 0.32 -0.80 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1fqw h ALA 98 Cb -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1fqw h ALA 98 CO -0.08 0.90 0.00 0.00 0.00 0.00 0.00 179.25 180.07 1fqw h ALA 99 N 0.69 0.02 -0.35 0.00 0.00 -0.51 -0.14 119.26 118.97 1fqw h ALA 99 Ca -0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1fqw h ALA 99 Cb 1.76 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 1fqw h ALA 99 CO 0.18 -0.36 0.03 1.96 0.00 0.00 0.00 179.25 181.06 1fqw h GLN 100 N -0.22 0.53 0.00 0.00 1.08 -0.53 -1.15 115.11 114.82 1fqw h GLN 100 Ca 0.00 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1fqw h GLN 100 Cb 0.25 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1fqw h GLN 100 CO 0.00 0.53 0.00 0.00 -0.95 0.00 0.00 178.83 178.41 1fqw n ALA 101 N -2.48 1.84 0.00 3.87 0.00 -0.44 -4.84 120.51 118.47 1fqw n ALA 101 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1fqw n ALA 101 Cb 0.22 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1fqw n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fqw n GLY 102 N 0.07 1.31 3.74 0.00 0.00 -0.44 -4.66 105.19 105.21 1fqw n GLY 102 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1fqw n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fqw s ALA 103 N -2.00 3.74 0.26 4.61 0.00 -0.10 -4.86 121.76 123.41 1fqw s ALA 103 Ca 0.00 1.46 0.14 0.00 0.00 0.00 0.00 51.96 53.56 1fqw s ALA 103 Cb 0.00 -3.62 0.55 0.00 0.00 0.00 0.00 23.12 20.05 1fqw s ALA 103 CO 0.00 -0.86 1.70 0.77 0.00 0.00 0.00 175.76 177.37 1fqw h SER 104 N 5.50 0.00 -5.19 0.00 0.02 -1.46 -3.45 113.55 108.97 1fqw h SER 104 Ca -0.45 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 60.68 1fqw h SER 104 Cb 1.21 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.65 1fqw h SER 104 CO 0.83 0.48 0.54 -0.83 -1.14 0.00 0.00 176.83 176.71 1fqw s GLY 105 N -4.40 -0.31 -0.10 -3.77 0.00 -1.23 -4.86 107.32 92.65 1fqw s GLY 105 Ca -0.01 0.44 -0.04 0.00 0.00 0.00 0.00 44.72 45.10 1fqw s GLY 105 CO 0.73 0.11 0.21 -0.47 0.00 0.00 0.00 173.10 173.67 1fqw s TYR 106 N -3.12 -0.29 -0.11 1.90 5.04 -1.26 -2.00 117.35 117.51 1fqw s TYR 106 Ca 0.11 0.76 0.03 0.00 -2.44 0.00 0.00 57.07 55.52 1fqw s TYR 106 Cb -0.01 -0.12 -0.00 0.00 0.35 0.00 0.00 41.96 42.18 1fqw s TYR 106 CO -0.01 -0.29 -0.21 0.08 -1.34 0.00 0.00 175.55 173.78 1fqw s VAL 107 N 2.10 2.29 -0.11 3.14 1.01 0.84 -4.98 120.40 124.69 1fqw s VAL 107 Ca -0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 1fqw s VAL 107 Cb -0.12 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1fqw s VAL 107 CO -0.07 0.55 0.28 0.68 0.00 0.00 0.00 175.10 176.54 1fqw s VAL 108 N 0.41 5.28 0.30 2.92 -7.23 -1.26 -1.10 120.40 119.72 1fqw s VAL 108 Ca -0.16 0.54 -0.25 0.00 -1.81 0.00 0.00 61.98 60.31 1fqw s VAL 108 Cb -0.17 -3.59 -0.10 0.00 0.56 0.00 0.00 36.38 33.08 1fqw s VAL 108 CO 0.07 0.50 0.90 -0.54 -0.31 0.00 0.00 175.10 175.72 1fqw s LYS 109 N -0.34 4.51 0.49 4.82 1.02 0.13 -3.92 119.74 126.44 1fqw s LYS 109 Ca 0.18 1.23 -0.19 0.00 0.02 0.00 0.00 55.97 57.21 1fqw s LYS 109 Cb -0.14 -2.81 -0.09 0.00 -0.52 0.00 0.00 37.83 34.28 1fqw s LYS 109 CO 0.06 0.30 0.99 -1.25 -0.92 0.00 0.00 175.35 174.54 1fqw s PRO 110 N -2.05 3.94 0.07 -1.68 0.04 -1.26 -4.70 135.00 129.35 1fqw s PRO 110 Ca 0.49 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.73 1fqw s PRO 110 Cb -0.18 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1fqw s PRO 110 CO 0.23 -0.29 -0.14 -0.59 0.04 0.00 0.00 177.00 176.25 1fqw s PHE 111 N -2.28 1.22 0.71 0.56 -0.12 -1.25 -5.15 117.98 111.67 1fqw s PHE 111 Ca 0.63 -0.44 -0.10 0.00 -0.05 0.00 0.00 56.93 56.97 1fqw s PHE 111 Cb -0.12 -0.69 0.03 0.00 -0.63 0.00 0.00 43.02 41.61 1fqw s PHE 111 CO 0.22 0.05 1.08 0.95 -0.05 0.00 0.00 175.22 177.47 1fqw s THR 112 N -1.19 3.09 0.18 -4.49 -4.23 -1.26 -4.96 115.64 102.78 1fqw s THR 112 Ca -0.01 0.24 -0.10 0.00 -1.18 0.00 0.00 61.69 60.63 1fqw s THR 112 Cb -0.10 -3.33 0.09 0.00 1.34 0.00 0.00 72.50 70.50 1fqw s THR 112 CO 0.02 -0.42 1.70 0.00 -0.54 0.00 0.00 174.62 175.38 1fqw h ALA 113 N -0.66 0.84 -0.81 3.99 0.00 -2.01 -2.90 119.26 117.72 1fqw h ALA 113 Ca -0.45 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1fqw h ALA 113 Cb 1.28 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1fqw h ALA 113 CO 0.63 0.55 0.52 0.00 0.00 0.00 0.00 179.25 180.96 1fqw h ALA 114 N 1.06 1.03 -0.41 0.00 0.00 -2.00 -2.55 119.26 116.39 1fqw h ALA 114 Ca 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1fqw h ALA 114 Cb 0.35 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1fqw h ALA 114 CO 0.00 0.46 0.18 1.15 0.00 0.00 0.00 179.25 181.03 1fqw h THR 115 N 1.10 1.19 -0.44 0.00 2.02 -1.90 -1.91 112.91 112.97 1fqw h THR 115 Ca 0.29 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1fqw h THR 115 Cb -0.10 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1fqw h THR 115 CO -0.06 0.21 0.26 0.25 0.37 0.00 0.00 175.52 176.55 1fqw h LEU 116 N 0.52 0.54 -1.21 2.58 5.85 -1.32 -1.33 115.31 120.93 1fqw h LEU 116 Ca 0.14 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1fqw h LEU 116 Cb 0.16 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1fqw h LEU 116 CO -0.01 0.45 0.18 -0.08 -0.34 0.00 0.00 178.44 178.63 1fqw h GLU 117 N 0.58 0.73 0.17 1.25 4.81 -1.41 -0.55 114.58 120.16 1fqw h GLU 117 Ca 0.16 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1fqw h GLU 117 Cb 0.02 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1fqw h GLU 117 CO -0.03 0.62 -0.08 0.93 -0.73 0.00 0.00 179.01 179.72 1fqw h GLU 118 N 0.72 -0.22 -0.11 1.92 5.08 -0.73 -1.66 114.58 119.58 1fqw h GLU 118 Ca 0.17 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1fqw h GLU 118 Cb 0.18 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1fqw h GLU 118 CO -0.01 -0.04 -0.32 0.87 -1.00 0.00 0.00 179.01 178.50 1fqw h LYS 119 N -0.36 0.22 -0.23 2.33 1.79 -1.03 0.02 116.57 119.30 1fqw h LYS 119 Ca -0.02 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.28 1fqw h LYS 119 Cb 0.28 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1fqw h LYS 119 CO 0.04 0.52 -0.18 -0.07 -1.08 0.00 0.00 179.45 178.68 1fqw h LEU 120 N 0.19 0.56 -1.22 2.94 3.38 -1.04 -2.37 115.31 117.75 1fqw h LEU 120 Ca 0.03 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1fqw h LEU 120 Cb 0.67 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1fqw h LEU 120 CO 0.05 0.89 -0.30 0.78 0.09 0.00 0.00 178.44 179.95 1fqw h ASN 121 N 0.23 0.15 -0.49 -0.43 2.35 -1.05 -0.67 115.58 115.66 1fqw h ASN 121 Ca 0.04 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1fqw h ASN 121 Cb 0.71 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 1fqw h ASN 121 CO 0.05 0.45 0.06 0.50 -1.65 0.00 0.00 177.43 176.83 1fqw h LYS 122 N 0.13 0.88 -0.11 0.81 3.64 -0.87 0.64 116.57 121.70 1fqw h LYS 122 Ca 0.02 -0.22 -0.20 0.00 -1.27 0.00 0.00 60.65 58.97 1fqw h LYS 122 Cb 0.60 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1fqw h LYS 122 CO 0.04 0.84 -0.75 0.82 -2.27 0.00 0.00 179.45 178.13 1fqw h ILE 123 N 0.83 1.33 -0.61 2.00 2.04 -0.87 -2.14 117.51 120.10 1fqw h ILE 123 Ca 0.17 -2.07 -0.05 0.00 1.00 0.00 0.00 64.86 63.91 1fqw h ILE 123 Cb 0.41 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1fqw h ILE 123 CO 0.01 0.64 0.18 -0.26 0.00 0.00 0.00 178.15 178.72 1fqw h PHE 124 N 0.39 0.99 -0.04 1.37 0.04 -0.80 -2.06 116.94 116.85 1fqw h PHE 124 Ca -0.04 -0.10 0.01 0.00 2.80 0.00 0.00 57.97 60.63 1fqw h PHE 124 Cb 1.35 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 39.21 1fqw h PHE 124 CO 0.06 0.82 -0.00 1.49 -0.60 0.00 0.00 178.31 180.08 1fqw h GLU 125 N 0.88 0.01 0.00 1.51 4.57 -0.79 0.34 114.58 121.09 1fqw h GLU 125 Ca 0.20 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.32 1fqw h GLU 125 Cb 0.30 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1fqw h GLU 125 CO -0.00 0.01 -0.25 -0.22 -1.18 0.00 0.00 179.01 177.36 1fqw h LYS 126 N 0.01 0.00 -0.03 1.92 3.64 -1.27 -2.61 116.57 118.23 1fqw h LYS 126 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1fqw h LYS 126 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1fqw h LYS 126 CO -0.03 0.25 0.00 1.28 -2.27 0.00 0.00 179.45 178.68 1fqw n LEU 127 N -4.03 2.42 -3.56 5.20 4.77 -0.78 -4.96 117.00 116.07 1fqw n LEU 127 Ca -0.02 -0.81 -0.22 0.00 -0.03 0.00 0.00 56.01 54.93 1fqw n LEU 127 Cb 0.32 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1fqw n LEU 127 CO 0.36 0.41 0.19 0.61 -1.33 0.00 0.00 177.39 177.63 1fqw n GLY 128 N 1.28 -0.48 0.73 -0.72 0.00 -0.08 -5.06 105.19 100.86 1fqw n GLY 128 Ca 0.16 0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.51 1fqw n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35