#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqw s GLN 2 N 0.00 4.56 -0.11 2.12 -0.21 -1.26 -5.03 119.66 119.73 1nqw s GLN 2 Ca 0.00 1.49 0.02 0.00 0.02 0.00 0.00 55.36 56.89 1nqw s GLN 2 Cb 0.00 -3.43 0.01 0.00 1.00 0.00 0.00 33.01 30.59 1nqw s GLN 2 CO 0.00 -0.04 -0.18 0.42 -2.12 0.00 0.00 175.29 173.37 1nqw s ILE 3 N 0.85 1.67 -0.09 1.08 1.01 -1.26 -5.12 121.20 119.35 1nqw s ILE 3 Ca 0.52 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 60.45 1nqw s ILE 3 Cb -0.23 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 1nqw s ILE 3 CO 0.29 0.47 -0.20 -0.31 0.00 0.00 0.00 174.94 175.19 1nqw s TYR 4 N 0.79 2.59 0.15 3.97 1.51 -1.26 -5.12 117.35 119.98 1nqw s TYR 4 Ca -0.10 -0.72 -0.15 0.00 -1.01 0.00 0.00 57.07 55.09 1nqw s TYR 4 Cb -0.16 -1.69 0.03 0.00 -0.11 0.00 0.00 41.96 40.03 1nqw s TYR 4 CO 0.01 -0.22 0.41 -1.83 -1.11 0.00 0.00 175.55 172.82 1nqw s GLU 5 N 0.02 1.16 -0.13 -0.62 -1.05 -1.26 -5.11 118.70 111.71 1nqw s GLU 5 Ca -0.08 -0.83 -0.05 0.00 -0.15 0.00 0.00 54.97 53.86 1nqw s GLU 5 Cb -0.15 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 33.97 1nqw s GLU 5 CO 0.05 -0.46 0.07 0.20 0.95 0.00 0.00 175.26 176.07 1nqw s GLY 6 N -2.85 1.97 0.82 -3.83 0.00 -1.26 -4.44 107.32 97.74 1nqw s GLY 6 Ca 0.07 -0.73 -0.08 0.00 0.00 0.00 0.00 44.72 43.98 1nqw s GLY 6 CO -0.08 -0.30 1.14 -1.59 0.00 0.00 0.00 173.10 172.27 1nqw s LYS 7 N -0.51 1.34 -0.10 2.90 -2.85 -1.26 -4.87 119.74 114.39 1nqw s LYS 7 Ca 0.10 -0.66 0.14 0.00 -1.00 0.00 0.00 55.97 54.55 1nqw s LYS 7 Cb -0.12 -2.10 0.46 0.00 -2.06 0.00 0.00 37.83 34.01 1nqw s LYS 7 CO 0.02 -1.82 1.38 1.28 0.10 0.00 0.00 175.35 176.31 1nqw n LEU 8 N -3.24 3.60 -4.75 2.77 4.77 -1.26 -4.11 117.00 114.79 1nqw n LEU 8 Ca 0.14 -2.52 -0.39 0.00 -0.03 0.00 0.00 56.01 53.21 1nqw n LEU 8 Cb 0.60 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1nqw n LEU 8 CO 0.46 0.71 0.27 0.42 -1.33 0.00 0.00 177.39 177.92 1nqw s THR 9 N -1.94 5.01 -1.09 -5.08 -4.23 -1.26 -4.87 115.64 102.18 1nqw s THR 9 Ca 0.35 1.18 0.17 0.00 -1.18 0.00 0.00 61.69 62.21 1nqw s THR 9 Cb 0.25 -3.91 0.59 0.00 1.34 0.00 0.00 72.50 70.77 1nqw s THR 9 CO 0.14 0.38 1.51 0.00 -0.54 0.00 0.00 174.62 176.10 1nqw n ALA 10 N 3.08 2.77 -1.67 3.99 0.00 0.88 -4.99 120.51 124.57 1nqw n ALA 10 Ca -0.06 -1.55 -0.48 0.00 0.00 0.00 0.00 53.44 51.35 1nqw n ALA 10 Cb 0.51 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 19.09 1nqw n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1nqw n GLU 11 N 0.86 1.97 -0.70 0.00 2.13 -1.24 -1.27 120.64 122.38 1nqw n GLU 11 Ca 0.22 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.75 1nqw n GLU 11 Cb 0.75 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.97 1nqw n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nqw n GLY 12 N 3.64 1.31 3.83 8.31 0.00 -1.26 -4.99 105.19 116.04 1nqw n GLY 12 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1nqw n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nqw s LEU 13 N 0.00 4.06 -0.10 0.99 1.43 -0.39 -5.06 118.68 119.61 1nqw s LEU 13 Ca 0.00 1.48 0.02 0.00 -1.03 0.00 0.00 54.13 54.61 1nqw s LEU 13 Cb 0.00 -4.20 0.01 0.00 0.03 0.00 0.00 46.19 42.03 1nqw s LEU 13 CO 0.00 -0.23 -0.17 -0.13 0.23 0.00 0.00 176.35 176.04 1nqw s ARG 14 N -2.90 2.38 0.03 1.70 0.52 -1.26 -4.62 118.95 114.79 1nqw s ARG 14 Ca 0.56 -0.63 0.09 0.00 -0.52 0.00 0.00 55.73 55.23 1nqw s ARG 14 Cb -0.11 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 1nqw s ARG 14 CO 0.16 0.02 -0.26 -0.06 0.02 0.00 0.00 175.30 175.19 1nqw s PHE 15 N 0.74 2.30 -0.16 -0.53 0.40 -0.61 -0.62 117.98 119.49 1nqw s PHE 15 Ca -0.11 -0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 55.73 1nqw s PHE 15 Cb -0.16 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 1nqw s PHE 15 CO 0.02 0.09 0.09 0.20 0.70 0.00 0.00 175.22 176.32 1nqw s GLY 16 N -1.09 1.99 -0.12 4.36 0.00 -0.38 -0.71 107.32 111.37 1nqw s GLY 16 Ca 0.11 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.15 1nqw s GLY 16 CO 0.01 -0.09 -0.23 -0.42 0.00 0.00 0.00 173.10 172.38 1nqw s ILE 17 N -0.07 2.07 -0.23 0.90 1.01 0.96 -0.03 121.20 125.81 1nqw s ILE 17 Ca 0.08 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 1nqw s ILE 17 Cb -0.12 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.56 1nqw s ILE 17 CO 0.01 0.56 -0.07 -0.69 0.00 0.00 0.00 174.94 174.74 1nqw s VAL 18 N 0.52 3.03 -0.08 2.92 1.01 -0.51 -0.21 120.40 127.08 1nqw s VAL 18 Ca -0.14 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1nqw s VAL 18 Cb -0.17 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1nqw s VAL 18 CO 0.05 0.35 -0.13 0.00 0.00 0.00 0.00 175.10 175.37 1nqw s ALA 19 N 1.40 1.43 0.59 5.51 0.00 0.40 -0.74 121.76 130.36 1nqw s ALA 19 Ca 0.04 -0.54 -0.07 0.00 0.00 0.00 0.00 51.96 51.39 1nqw s ALA 19 Cb -0.15 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 1nqw s ALA 19 CO -0.05 0.02 0.92 -1.54 0.00 0.00 0.00 175.76 175.11 1nqw s SER 20 N 0.84 5.72 -0.03 0.00 1.04 -0.98 -2.09 113.70 118.19 1nqw s SER 20 Ca -0.11 0.85 0.21 0.00 0.48 0.00 0.00 55.95 57.39 1nqw s SER 20 Cb -0.15 -1.87 -0.29 0.00 0.10 0.00 0.00 66.02 63.80 1nqw s SER 20 CO 0.01 -1.01 0.49 0.54 0.98 0.00 0.00 173.24 174.25 1nqw n ARG 21 N -2.60 0.66 -1.76 4.02 1.74 -0.16 -4.79 116.66 113.77 1nqw n ARG 21 Ca 0.04 -0.13 -0.41 0.00 -0.77 0.00 0.00 57.85 56.58 1nqw n ARG 21 Cb 0.57 -1.56 -0.01 0.00 -1.02 0.00 0.00 32.46 30.44 1nqw n ARG 21 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nqw n PHE 22 N -2.38 2.93 -3.47 -1.55 7.35 -0.51 -1.42 117.46 118.40 1nqw n PHE 22 Ca -0.08 0.34 -0.24 0.00 -0.76 0.00 0.00 57.45 56.71 1nqw n PHE 22 Cb 0.65 -2.57 0.06 0.00 0.35 0.00 0.00 39.48 37.97 1nqw n PHE 22 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1nqw n ASN 23 N 1.37 -6.07 0.19 -2.13 3.02 -1.26 -4.49 115.26 105.88 1nqw n ASN 23 Ca 0.05 -0.50 0.07 0.00 -0.03 0.00 0.00 54.58 54.17 1nqw n ASN 23 Cb 0.38 -4.82 0.58 0.00 -0.61 0.00 0.00 39.78 35.30 1nqw n ASN 23 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 1nqw h HIS 24 N -2.23 0.15 -0.23 3.10 2.07 -1.55 -0.46 115.15 116.01 1nqw h HIS 24 Ca -0.56 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.03 1nqw h HIS 24 Cb 1.37 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 31.29 1nqw h HIS 24 CO 0.52 0.10 0.19 0.00 -3.07 0.00 0.00 177.93 175.67 1nqw h ALA 25 N 1.92 2.04 0.04 6.11 0.00 -1.90 0.34 119.26 127.82 1nqw h ALA 25 Ca 0.04 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.57 1nqw h ALA 25 Cb -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1nqw h ALA 25 CO -0.01 -0.31 -2.19 1.28 0.00 0.00 0.00 179.25 178.03 1nqw n LEU 26 N -4.16 2.54 -0.29 0.00 4.77 -0.28 -4.23 117.00 115.35 1nqw n LEU 26 Ca 0.03 0.13 0.04 0.00 -0.03 0.00 0.00 56.01 56.17 1nqw n LEU 26 Cb 0.33 -0.97 0.17 0.00 -2.33 0.00 0.00 43.42 40.63 1nqw n LEU 26 CO 0.32 0.76 1.13 0.58 -1.33 0.00 0.00 177.39 178.85 1nqw h VAL 27 N -0.29 0.87 -0.51 4.08 2.07 -0.87 -1.44 116.25 120.17 1nqw h VAL 27 Ca -0.53 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 66.82 1nqw h VAL 27 Cb 1.81 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1nqw h VAL 27 CO -0.11 0.14 0.35 0.44 0.02 0.00 0.00 177.57 178.40 1nqw h ASP 28 N 0.74 0.32 0.02 0.57 3.32 -0.52 0.15 116.42 121.02 1nqw h ASP 28 Ca 0.40 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.29 1nqw h ASP 28 Cb 0.42 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1nqw h ASP 28 CO -0.27 0.20 -0.59 0.03 -1.72 0.00 0.00 179.24 176.89 1nqw h ARG 29 N 0.36 0.58 -0.72 3.56 2.47 -1.45 -2.12 114.38 117.06 1nqw h ARG 29 Ca 0.23 -0.38 -0.07 0.00 -1.26 0.00 0.00 59.98 58.50 1nqw h ARG 29 Cb 0.45 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 1nqw h ARG 29 CO -0.06 1.00 0.17 -0.07 0.56 0.00 0.00 179.97 181.57 1nqw h LEU 30 N 0.43 1.09 -0.63 3.04 3.38 -0.44 -1.50 115.31 120.68 1nqw h LEU 30 Ca 0.00 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1nqw h LEU 30 Cb 1.14 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1nqw h LEU 30 CO 0.11 1.04 0.11 0.58 0.09 0.00 0.00 178.44 180.37 1nqw h VAL 31 N 1.09 1.26 -0.86 1.22 2.07 -0.78 -1.13 116.25 119.11 1nqw h VAL 31 Ca 0.22 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1nqw h VAL 31 Cb 0.38 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1nqw h VAL 31 CO 0.00 0.37 0.53 -0.33 0.02 0.00 0.00 177.57 178.16 1nqw h GLU 32 N 0.94 1.16 -0.32 1.57 5.08 -1.12 -1.80 114.58 120.09 1nqw h GLU 32 Ca 0.19 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1nqw h GLU 32 Cb 0.42 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1nqw h GLU 32 CO 0.01 0.81 -0.11 0.78 -1.00 0.00 0.00 179.01 179.50 1nqw h GLY 33 N 1.18 0.70 0.95 -3.84 0.00 -0.88 -1.60 103.07 99.59 1nqw h GLY 33 Ca 0.31 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1nqw h GLY 33 CO -0.06 0.55 0.16 0.00 0.00 0.00 0.00 176.54 177.19 1nqw h ALA 34 N 0.79 0.40 -0.26 3.60 0.00 -1.02 -0.95 119.26 121.81 1nqw h ALA 34 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nqw h ALA 34 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1nqw h ALA 34 CO 0.04 -0.07 0.11 0.82 0.00 0.00 0.00 179.25 180.15 1nqw h ILE 35 N 0.37 1.17 -0.77 0.00 2.04 -1.30 -1.69 117.51 117.34 1nqw h ILE 35 Ca 0.11 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.48 1nqw h ILE 35 Cb 0.08 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1nqw h ILE 35 CO -0.02 0.17 0.49 -0.78 0.00 0.00 0.00 178.15 178.02 1nqw h ASP 36 N 0.28 0.82 -0.43 1.72 3.58 -1.22 0.28 116.42 121.45 1nqw h ASP 36 Ca 0.09 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1nqw h ASP 36 Cb 0.17 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1nqw h ASP 36 CO -0.01 0.57 0.28 0.00 -2.88 0.00 0.00 179.24 177.20 1nqw h ILE 38 N 0.58 0.95 -0.24 0.00 2.04 -0.64 -2.33 117.51 117.85 1nqw h ILE 38 Ca 0.16 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1nqw h ILE 38 Cb -0.06 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1nqw h ILE 38 CO -0.03 0.06 0.08 0.58 0.00 0.00 0.00 178.15 178.84 1nqw h VAL 39 N -0.28 1.19 0.00 1.67 2.07 -0.77 -0.19 116.25 119.95 1nqw h VAL 39 Ca -0.02 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1nqw h VAL 39 Cb 0.22 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1nqw h VAL 39 CO 0.03 0.19 0.00 0.54 0.02 0.00 0.00 177.57 178.35 1nqw n ARG 40 N -4.76 0.05 -0.16 1.57 1.74 -0.08 -1.20 116.66 113.82 1nqw n ARG 40 Ca -0.03 0.05 0.08 0.00 -0.77 0.00 0.00 57.85 57.19 1nqw n ARG 40 Cb 0.15 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.35 1nqw n ARG 40 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1nqw n HIS 41 N -1.47 0.42 0.00 -1.55 8.25 -0.88 -4.93 115.22 115.05 1nqw n HIS 41 Ca 0.07 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1nqw n HIS 41 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1nqw n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqw n GLY 42 N 1.17 0.34 3.79 -1.41 0.00 -0.34 -0.08 105.19 108.66 1nqw n GLY 42 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1nqw n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqw s GLY 43 N -1.48 2.33 -0.04 -0.02 0.00 -0.12 -3.73 107.32 104.27 1nqw s GLY 43 Ca 0.00 0.54 -0.13 0.00 0.00 0.00 0.00 44.72 45.13 1nqw s GLY 43 CO 0.00 0.87 0.33 0.50 0.00 0.00 0.00 173.10 174.80 1nqw s ARG 44 N -3.67 3.79 0.52 2.90 0.52 -1.26 -4.11 118.95 117.63 1nqw s ARG 44 Ca 0.66 0.26 0.23 0.00 -0.52 0.00 0.00 55.73 56.37 1nqw s ARG 44 Cb -0.18 -3.22 1.40 0.00 0.52 0.00 0.00 34.95 33.48 1nqw s ARG 44 CO 0.30 0.71 2.10 1.05 0.02 0.00 0.00 175.30 179.48 1nqw h GLU 45 N 4.82 0.00 0.00 3.54 -0.00 -1.95 0.97 114.58 121.95 1nqw h GLU 45 Ca -0.52 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.84 1nqw h GLU 45 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.97 1nqw h GLU 45 CO 0.61 0.10 0.00 0.39 -0.00 0.00 0.00 179.01 180.10 1nqw n GLU 46 N -3.97 0.19 -0.45 1.06 4.71 -1.26 -1.62 120.64 119.30 1nqw n GLU 46 Ca -0.02 0.42 0.09 0.00 -0.01 0.00 0.00 57.16 57.64 1nqw n GLU 46 Cb 0.19 -1.87 0.30 0.00 -1.01 0.00 0.00 31.44 29.05 1nqw n GLU 46 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1nqw n ASP 47 N -2.23 3.87 -4.69 1.62 8.00 0.33 -4.85 116.55 118.61 1nqw n ASP 47 Ca 0.02 -2.23 -0.35 0.00 0.71 0.00 0.00 54.79 52.94 1nqw n ASP 47 Cb 0.23 -0.49 -0.09 0.00 -0.02 0.00 0.00 41.12 40.75 1nqw n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nqw s ILE 48 N -1.55 4.79 -0.20 0.53 1.01 -0.64 -1.57 121.20 123.57 1nqw s ILE 48 Ca 0.44 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.01 1nqw s ILE 48 Cb 0.26 -3.11 -0.00 0.00 0.01 0.00 0.00 42.46 39.62 1nqw s ILE 48 CO 0.24 0.52 -0.09 -0.89 0.00 0.00 0.00 174.94 174.73 1nqw s THR 49 N -0.18 3.07 -0.20 2.92 2.01 0.11 -4.98 115.64 118.38 1nqw s THR 49 Ca 0.07 -0.60 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 1nqw s THR 49 Cb -0.12 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1nqw s THR 49 CO 0.01 0.46 0.01 -0.22 -0.69 0.00 0.00 174.62 174.20 1nqw s LEU 50 N 1.29 3.34 -0.14 4.42 2.96 -1.26 -0.03 118.68 129.27 1nqw s LEU 50 Ca 0.03 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1nqw s LEU 50 Cb -0.14 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 1nqw s LEU 50 CO -0.04 0.07 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.21 1nqw s VAL 51 N 0.97 2.66 -0.09 1.68 1.01 0.71 -4.97 120.40 122.37 1nqw s VAL 51 Ca 0.02 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 1nqw s VAL 51 Cb -0.14 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1nqw s VAL 51 CO 0.02 0.53 0.11 -0.13 0.00 0.00 0.00 175.10 175.63 1nqw s ARG 52 N 0.59 3.32 0.09 2.72 0.52 -1.26 -0.45 118.95 124.49 1nqw s ARG 52 Ca -0.09 -0.24 -0.00 0.00 -0.52 0.00 0.00 55.73 54.88 1nqw s ARG 52 Cb -0.16 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 1nqw s ARG 52 CO 0.03 0.74 -0.01 0.14 0.02 0.00 0.00 175.30 176.22 1nqw s VAL 53 N -1.05 0.35 0.07 3.52 -7.23 -0.89 -4.95 120.40 110.23 1nqw s VAL 53 Ca 0.17 -1.88 -0.33 0.00 -1.81 0.00 0.00 61.98 58.13 1nqw s VAL 53 Cb -0.12 -1.75 -0.18 0.00 0.56 0.00 0.00 36.38 34.89 1nqw s VAL 53 CO 0.06 -0.78 1.62 -0.65 -0.31 0.00 0.00 175.10 175.04 1nqw h PRO 54 N 2.99 -0.88 -4.77 4.82 0.11 -1.94 -0.40 132.00 131.94 1nqw h PRO 54 Ca -0.35 0.06 -0.39 0.00 0.11 0.00 0.00 66.00 65.43 1nqw h PRO 54 Cb 1.17 0.20 -0.13 0.00 0.11 0.00 0.00 31.00 32.34 1nqw h PRO 54 CO 0.64 -0.59 -0.51 0.20 -0.21 0.00 0.00 178.00 177.53 1nqw s GLY 55 N -2.09 2.03 0.44 -0.55 0.00 -1.26 -1.43 107.32 104.47 1nqw s GLY 55 Ca -0.18 -1.93 0.15 0.00 0.00 0.00 0.00 44.72 42.75 1nqw s GLY 55 CO 0.62 -1.42 1.99 1.76 0.00 0.00 0.00 173.10 176.04 1nqw h SER 56 N 2.27 0.34 -0.98 1.64 0.02 -1.91 -0.44 113.55 114.49 1nqw h SER 56 Ca -0.28 0.01 0.16 0.00 -0.84 0.00 0.00 61.79 60.84 1nqw h SER 56 Cb 1.24 -0.06 -0.10 0.00 0.14 0.00 0.00 62.40 63.62 1nqw h SER 56 CO 0.41 0.20 0.59 -0.25 -1.14 0.00 0.00 176.83 176.64 1nqw h TRP 57 N 0.37 1.04 -0.00 3.45 2.91 -1.96 -1.53 115.95 120.23 1nqw h TRP 57 Ca 0.27 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.32 1nqw h TRP 57 Cb 0.55 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 28.89 1nqw h TRP 57 CO -0.00 0.29 -0.20 0.39 -1.03 0.00 0.00 178.44 177.89 1nqw n GLU 58 N -4.74 0.31 -0.10 2.65 4.71 -0.18 -4.29 120.64 119.00 1nqw n GLU 58 Ca 0.21 -0.11 -0.08 0.00 -0.01 0.00 0.00 57.16 57.17 1nqw n GLU 58 Cb 0.48 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 1nqw n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1nqw h ILE 59 N 0.28 1.00 0.02 -3.67 2.04 -1.18 -3.19 117.51 112.81 1nqw h ILE 59 Ca 0.00 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.76 1nqw h ILE 59 Cb 0.45 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1nqw h ILE 59 CO 0.00 0.07 -0.14 -0.65 0.00 0.00 0.00 178.15 177.42 1nqw h PRO 60 N 0.36 -0.24 -0.76 2.37 0.11 -1.76 -0.11 132.00 131.97 1nqw h PRO 60 Ca 0.14 0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.33 1nqw h PRO 60 Cb 0.04 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.16 1nqw h PRO 60 CO -0.09 -0.16 0.50 -0.24 -0.21 0.00 0.00 178.00 177.80 1nqw h VAL 61 N -0.25 1.04 -0.20 3.15 3.04 -1.85 0.15 116.25 121.34 1nqw h VAL 61 Ca 0.04 -0.28 -0.18 0.00 -1.01 0.00 0.00 66.70 65.27 1nqw h VAL 61 Cb 0.30 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.72 1nqw h VAL 61 CO -0.12 0.15 -0.57 0.00 -1.01 0.00 0.00 177.57 176.02 1nqw h ALA 62 N 1.58 0.33 -0.25 3.17 0.00 -1.48 -2.98 119.26 119.63 1nqw h ALA 62 Ca 0.33 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1nqw h ALA 62 Cb 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1nqw h ALA 62 CO -0.11 0.56 0.04 0.00 0.00 0.00 0.00 179.25 179.74 1nqw h ALA 63 N 0.59 1.61 -0.73 0.00 0.00 -0.20 -1.47 119.26 119.06 1nqw h ALA 63 Ca -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1nqw h ALA 63 Cb 1.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1nqw h ALA 63 CO 0.12 0.30 0.36 0.78 0.00 0.00 0.00 179.25 180.81 1nqw h GLY 64 N 0.60 1.11 1.11 0.00 0.00 -0.60 0.11 103.07 105.40 1nqw h GLY 64 Ca 0.09 -0.53 -0.17 0.00 0.00 0.00 0.00 47.33 46.72 1nqw h GLY 64 CO -0.00 0.51 -0.47 0.83 0.00 0.00 0.00 176.54 177.41 1nqw h GLU 65 N 1.03 0.86 -0.37 4.80 4.39 -1.16 -2.94 114.58 121.19 1nqw h GLU 65 Ca 0.25 -0.51 -0.10 0.00 0.34 0.00 0.00 59.36 59.34 1nqw h GLU 65 Cb 0.09 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1nqw h GLU 65 CO -0.03 1.15 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.74 1nqw h LEU 66 N 0.64 0.78 -1.78 1.33 3.38 -1.04 -3.00 115.31 115.62 1nqw h LEU 66 Ca 0.03 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1nqw h LEU 66 Cb 1.07 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1nqw h LEU 66 CO 0.11 1.00 -0.15 0.00 0.09 0.00 0.00 178.44 179.49 1nqw h ALA 67 N 0.81 1.29 0.00 1.53 0.00 -0.85 -1.83 119.26 120.21 1nqw h ALA 67 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nqw h ALA 67 Cb 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1nqw h ALA 67 CO 0.05 0.19 0.00 0.54 0.00 0.00 0.00 179.25 180.03 1nqw n ARG 68 N -3.69 0.12 -2.25 0.00 1.74 -1.11 -4.79 116.66 106.68 1nqw n ARG 68 Ca -0.02 0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.79 1nqw n ARG 68 Cb 0.27 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 1nqw n ARG 68 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1nqw s LYS 69 N -3.07 4.32 0.47 5.56 1.02 -0.69 -4.90 119.74 122.45 1nqw s LYS 69 Ca 0.11 1.96 0.20 0.00 0.02 0.00 0.00 55.97 58.26 1nqw s LYS 69 Cb 0.15 -3.43 1.15 0.00 -0.52 0.00 0.00 37.83 35.17 1nqw s LYS 69 CO 0.51 -0.47 2.00 1.49 -0.92 0.00 0.00 175.35 177.96 1nqw h GLU 70 N 7.30 0.00 -0.81 1.68 4.81 -1.88 -2.35 114.58 123.33 1nqw h GLU 70 Ca -0.40 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.64 1nqw h GLU 70 Cb 1.19 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.46 1nqw h GLU 70 CO 0.87 0.19 0.24 -0.40 -0.73 0.00 0.00 179.01 179.18 1nqw n ASP 71 N -3.98 4.31 -4.25 1.04 5.75 -1.26 -4.81 116.55 113.36 1nqw n ASP 71 Ca -0.02 -3.01 -0.33 0.00 -0.01 0.00 0.00 54.79 51.42 1nqw n ASP 71 Cb 0.27 -0.71 -0.15 0.00 -1.03 0.00 0.00 41.12 39.50 1nqw n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1nqw s ILE 72 N -2.55 2.64 -0.15 2.12 -1.09 -0.89 -4.78 121.20 116.50 1nqw s ILE 72 Ca 0.45 -0.77 0.17 0.00 -2.23 0.00 0.00 60.65 58.27 1nqw s ILE 72 Cb 0.36 -2.12 -0.05 0.00 -1.58 0.00 0.00 42.46 39.07 1nqw s ILE 72 CO 0.11 0.51 1.05 0.44 -1.23 0.00 0.00 174.94 175.83 1nqw h ASP 73 N 7.45 0.00 -4.59 3.58 3.32 -1.18 -3.47 116.42 121.54 1nqw h ASP 73 Ca -0.35 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.74 1nqw h ASP 73 Cb 1.18 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.55 1nqw h ASP 73 CO 0.58 0.48 0.41 0.00 -1.72 0.00 0.00 179.24 178.99 1nqw s ALA 74 N -2.99 -1.82 -0.04 3.45 0.00 -1.23 -4.51 121.76 114.62 1nqw s ALA 74 Ca -0.00 1.23 0.06 0.00 0.00 0.00 0.00 51.96 53.25 1nqw s ALA 74 Cb 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1nqw s ALA 74 CO 0.79 -0.49 -0.20 0.08 0.00 0.00 0.00 175.76 175.94 1nqw s VAL 75 N -2.01 2.54 -0.24 0.00 1.01 -0.49 -1.25 120.40 119.96 1nqw s VAL 75 Ca -0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1nqw s VAL 75 Cb -0.01 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1nqw s VAL 75 CO -0.01 0.58 -0.06 -0.63 0.00 0.00 0.00 175.10 174.98 1nqw s ILE 76 N -0.65 3.02 -0.22 2.22 1.01 0.95 -0.54 121.20 126.99 1nqw s ILE 76 Ca 0.10 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 1nqw s ILE 76 Cb -0.10 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 1nqw s ILE 76 CO -0.00 0.30 0.46 0.00 0.00 0.00 0.00 174.94 175.70 1nqw s ALA 77 N 1.38 3.56 -0.10 9.38 0.00 -0.53 -1.42 121.76 134.03 1nqw s ALA 77 Ca 0.03 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1nqw s ALA 77 Cb -0.15 -2.75 0.01 0.00 0.00 0.00 0.00 23.12 20.22 1nqw s ALA 77 CO -0.05 -0.47 -0.15 0.42 0.00 0.00 0.00 175.76 175.52 1nqw s ILE 78 N 1.68 1.46 0.17 0.00 1.01 0.08 0.02 121.20 125.62 1nqw s ILE 78 Ca 0.21 -0.63 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 1nqw s ILE 78 Cb -0.15 -1.33 0.06 0.00 0.01 0.00 0.00 42.46 41.04 1nqw s ILE 78 CO 0.09 0.43 0.84 -0.83 0.00 0.00 0.00 174.94 175.47 1nqw s GLY 79 N 0.91 -0.26 -0.17 6.18 0.00 -1.14 -2.32 107.32 110.52 1nqw s GLY 79 Ca -0.08 0.16 -0.02 0.00 0.00 0.00 0.00 44.72 44.77 1nqw s GLY 79 CO -0.00 0.04 0.02 0.14 0.00 0.00 0.00 173.10 173.30 1nqw s VAL 80 N -3.50 0.55 -0.19 1.40 1.01 -1.26 -1.01 120.40 117.40 1nqw s VAL 80 Ca 0.10 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 1nqw s VAL 80 Cb -0.03 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1nqw s VAL 80 CO 0.01 -0.09 0.03 -0.76 0.00 0.00 0.00 175.10 174.29 1nqw s LEU 81 N 1.86 3.53 -0.10 3.92 1.43 0.02 -4.67 118.68 124.66 1nqw s LEU 81 Ca 0.00 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1nqw s LEU 81 Cb -0.16 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.19 1nqw s LEU 81 CO -0.07 0.13 -0.13 -0.63 0.23 0.00 0.00 176.35 175.87 1nqw s ILE 82 N 0.65 1.32 0.31 -0.59 1.01 -1.26 -0.71 121.20 121.92 1nqw s ILE 82 Ca 0.01 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 1nqw s ILE 82 Cb -0.14 -1.23 -0.11 0.00 0.01 0.00 0.00 42.46 40.99 1nqw s ILE 82 CO 0.02 0.41 1.52 -0.60 0.00 0.00 0.00 174.94 176.28 1nqw s ARG 83 N 1.11 4.16 0.00 2.79 3.52 -0.39 -4.96 118.95 125.18 1nqw s ARG 83 Ca -0.05 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 58.05 1nqw s ARG 83 Cb -0.14 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1nqw s ARG 83 CO -0.03 -0.54 0.00 0.41 -0.81 0.00 0.00 175.30 174.34 1nqw n GLY 84 N 1.64 2.96 0.12 8.12 0.00 -1.26 -4.80 105.19 111.97 1nqw n GLY 84 Ca 0.05 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.45 1nqw n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqw h ALA 85 N -0.36 0.59 -1.29 4.61 0.00 -2.01 -3.47 119.26 117.34 1nqw h ALA 85 Ca 0.00 -0.19 -0.54 0.00 0.00 0.00 0.00 54.91 54.18 1nqw h ALA 85 Cb 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1nqw h ALA 85 CO 0.00 0.21 -0.40 0.95 0.00 0.00 0.00 179.25 180.01 1nqw s THR 86 N -3.24 2.27 -1.69 0.00 -4.23 -1.26 -5.00 115.64 102.48 1nqw s THR 86 Ca 0.00 -1.51 0.14 0.00 -1.18 0.00 0.00 61.69 59.14 1nqw s THR 86 Cb 0.09 -2.77 0.32 0.00 1.34 0.00 0.00 72.50 71.47 1nqw s THR 86 CO 0.78 0.00 1.32 -0.81 -0.54 0.00 0.00 174.62 175.37 1nqw n PRO 87 N -1.50 0.31 -0.27 3.99 -0.05 -1.26 -4.01 135.00 132.21 1nqw n PRO 87 Ca 0.00 0.08 0.08 0.00 -0.05 0.00 0.00 63.50 63.62 1nqw n PRO 87 Cb 0.63 -1.50 0.22 0.00 -0.05 0.00 0.00 33.50 32.81 1nqw n PRO 87 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 1nqw h HIS 88 N 0.00 0.52 -0.62 0.54 2.76 -1.97 0.25 115.15 116.63 1nqw h HIS 88 Ca 0.00 0.04 0.13 0.00 -2.20 0.00 0.00 60.37 58.33 1nqw h HIS 88 Cb 0.07 -0.10 -0.10 0.00 1.55 0.00 0.00 27.41 28.83 1nqw h HIS 88 CO 0.00 0.01 0.06 0.35 -1.30 0.00 0.00 177.93 177.04 1nqw h PHE 89 N 0.41 0.07 -0.23 5.26 3.57 -1.94 -1.58 116.94 122.50 1nqw h PHE 89 Ca 0.46 0.04 0.03 0.00 3.53 0.00 0.00 57.97 62.03 1nqw h PHE 89 Cb 0.77 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 1nqw h PHE 89 CO -0.18 -0.12 0.06 -0.44 -2.23 0.00 0.00 178.31 175.41 1nqw h ASP 90 N 0.17 0.04 -0.30 0.41 3.45 -1.24 0.71 116.42 119.66 1nqw h ASP 90 Ca 0.33 0.03 -0.12 0.00 0.43 0.00 0.00 57.03 57.70 1nqw h ASP 90 Cb 0.52 0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 1nqw h ASP 90 CO -0.48 0.05 -0.23 1.88 -1.57 0.00 0.00 179.24 178.89 1nqw h TYR 91 N 0.15 0.89 -0.15 4.55 -1.99 -1.30 0.48 116.97 119.59 1nqw h TYR 91 Ca 0.10 -0.20 -0.08 0.00 2.00 0.00 0.00 58.73 60.55 1nqw h TYR 91 Cb 0.09 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.61 1nqw h TYR 91 CO -0.14 0.93 -0.22 0.82 -0.00 0.00 0.00 178.16 179.55 1nqw h ILE 92 N 0.68 1.36 -0.90 -2.88 2.04 -1.04 -2.05 117.51 114.72 1nqw h ILE 92 Ca 0.09 -1.44 0.01 0.00 1.00 0.00 0.00 64.86 64.52 1nqw h ILE 92 Cb 0.74 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.71 1nqw h ILE 92 CO 0.06 0.43 0.59 0.00 0.00 0.00 0.00 178.15 179.22 1nqw h ALA 93 N 0.58 1.14 -0.53 1.87 0.00 -0.77 0.69 119.26 122.24 1nqw h ALA 93 Ca 0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1nqw h ALA 93 Cb 0.79 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1nqw h ALA 93 CO 0.05 0.55 0.12 0.77 0.00 0.00 0.00 179.25 180.75 1nqw h SER 94 N 1.22 0.81 0.65 0.00 0.02 -0.80 -2.40 113.55 113.06 1nqw h SER 94 Ca 0.33 -0.24 -0.19 0.00 -0.84 0.00 0.00 61.79 60.85 1nqw h SER 94 Cb -0.13 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.18 1nqw h SER 94 CO -0.07 0.84 -0.85 -0.33 -1.14 0.00 0.00 176.83 175.28 1nqw h GLU 95 N 0.75 0.14 -0.29 3.45 4.39 -0.83 -1.62 114.58 120.56 1nqw h GLU 95 Ca 0.17 -0.15 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 1nqw h GLU 95 Cb 0.35 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1nqw h GLU 95 CO 0.00 0.90 -0.25 -0.24 -1.16 0.00 0.00 179.01 178.27 1nqw h VAL 96 N 0.08 1.30 -0.25 3.13 3.04 -0.78 -1.15 116.25 121.62 1nqw h VAL 96 Ca -0.03 -1.40 -0.05 0.00 -1.01 0.00 0.00 66.70 64.21 1nqw h VAL 96 Cb 1.47 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 32.30 1nqw h VAL 96 CO 0.12 0.45 -0.04 0.77 -1.01 0.00 0.00 177.57 177.86 1nqw h SER 97 N 0.42 0.47 -0.61 3.17 4.64 -1.42 -2.04 113.55 118.19 1nqw h SER 97 Ca 0.05 -0.35 -0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1nqw h SER 97 Cb 0.81 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.74 1nqw h SER 97 CO 0.06 0.70 0.28 0.50 -0.87 0.00 0.00 176.83 177.50 1nqw h LYS 98 N 0.22 0.89 -0.19 4.77 3.64 -1.27 -1.67 116.57 122.96 1nqw h LYS 98 Ca 0.07 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1nqw h LYS 98 Cb 0.49 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1nqw h LYS 98 CO 0.02 0.73 0.10 0.78 -2.27 0.00 0.00 179.45 178.82 1nqw h GLY 99 N 0.84 0.28 0.96 5.01 0.00 -1.13 0.03 103.07 109.07 1nqw h GLY 99 Ca 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 1nqw h GLY 99 CO -0.02 0.12 0.12 1.41 0.00 0.00 0.00 176.54 178.17 1nqw h LEU 100 N 0.20 0.24 -0.66 3.11 3.38 -1.26 0.15 115.31 120.47 1nqw h LEU 100 Ca 0.07 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1nqw h LEU 100 Cb 0.07 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1nqw h LEU 100 CO -0.01 0.23 0.33 0.00 0.09 0.00 0.00 178.44 179.07 1nqw h ALA 101 N 1.02 0.85 -0.67 1.53 0.00 -1.16 -1.37 119.26 119.45 1nqw h ALA 101 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1nqw h ALA 101 Cb 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1nqw h ALA 101 CO -0.01 0.41 0.31 -0.91 0.00 0.00 0.00 179.25 179.04 1nqw h ASN 102 N 0.91 0.89 -0.62 0.00 2.35 -0.76 -2.36 115.58 116.00 1nqw h ASN 102 Ca 0.23 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.77 1nqw h ASN 102 Cb 0.10 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1nqw h ASN 102 CO -0.03 0.79 0.13 -0.07 -1.65 0.00 0.00 177.43 176.60 1nqw h LEU 103 N 0.94 0.95 -0.78 1.61 3.38 -0.60 -0.29 115.31 120.52 1nqw h LEU 103 Ca 0.23 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1nqw h LEU 103 Cb 0.14 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1nqw h LEU 103 CO -0.03 0.95 0.49 -1.28 0.09 0.00 0.00 178.44 178.67 1nqw h SER 104 N 0.91 0.80 -0.24 -0.43 0.87 -0.93 0.38 113.55 114.92 1nqw h SER 104 Ca 0.19 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.55 1nqw h SER 104 Cb 0.38 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1nqw h SER 104 CO 0.01 0.55 -0.63 -0.07 -0.53 0.00 0.00 176.83 176.16 1nqw h LEU 105 N 0.95 0.97 -0.41 2.23 3.38 -1.04 0.25 115.31 121.64 1nqw h LEU 105 Ca 0.32 -0.56 -0.14 0.00 0.09 0.00 0.00 57.88 57.59 1nqw h LEU 105 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1nqw h LEU 105 CO -0.12 1.36 -0.28 -0.08 0.09 0.00 0.00 178.44 179.41 1nqw h GLU 106 N 0.63 0.91 -0.01 1.13 4.81 -0.80 -3.06 114.58 118.18 1nqw h GLU 106 Ca -0.01 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1nqw h GLU 106 Cb 1.24 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1nqw h GLU 106 CO 0.14 1.09 -0.14 1.28 -0.73 0.00 0.00 179.01 180.64 1nqw n LEU 107 N -4.14 1.55 -3.87 1.64 4.77 0.10 -4.95 117.00 112.10 1nqw n LEU 107 Ca -0.02 -0.50 -0.26 0.00 -0.03 0.00 0.00 56.01 55.21 1nqw n LEU 107 Cb 0.48 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1nqw n LEU 107 CO 0.47 0.27 -0.18 0.54 -1.33 0.00 0.00 177.39 177.16 1nqw n ARG 108 N -0.00 -3.14 -3.78 3.23 1.74 0.03 -4.98 116.66 109.75 1nqw n ARG 108 Ca 0.15 0.44 -0.13 0.00 -0.77 0.00 0.00 57.85 57.54 1nqw n ARG 108 Cb 0.39 -4.53 -0.11 0.00 -1.02 0.00 0.00 32.46 27.19 1nqw n ARG 108 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1nqw s LYS 109 N -6.38 0.34 0.20 5.56 2.20 -0.91 -5.05 119.74 115.70 1nqw s LYS 109 Ca 0.09 0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 55.72 1nqw s LYS 109 Cb -0.03 0.16 -0.09 0.00 -1.51 0.00 0.00 37.83 36.36 1nqw s LYS 109 CO 0.87 -0.05 1.40 -2.14 -0.36 0.00 0.00 175.35 175.08 1nqw s PRO 110 N 0.03 4.31 -0.15 4.03 0.02 -1.26 -4.46 135.00 137.52 1nqw s PRO 110 Ca -0.01 2.19 -0.02 0.00 0.02 0.00 0.00 61.00 63.19 1nqw s PRO 110 Cb -0.02 -3.16 0.04 0.00 0.02 0.00 0.00 34.50 31.38 1nqw s PRO 110 CO 0.01 -0.39 -0.01 0.42 -0.33 0.00 0.00 177.00 176.70 1nqw s ILE 111 N 0.32 0.72 0.20 2.83 1.01 -1.26 -1.39 121.20 123.63 1nqw s ILE 111 Ca 0.60 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1nqw s ILE 111 Cb -0.40 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1nqw s ILE 111 CO 0.38 0.04 0.37 0.42 0.00 0.00 0.00 174.94 176.15 1nqw s THR 112 N 1.79 5.23 -0.51 2.92 -4.23 0.29 -4.90 115.64 116.23 1nqw s THR 112 Ca 0.01 -0.47 -0.13 0.00 -1.18 0.00 0.00 61.69 59.92 1nqw s THR 112 Cb -0.15 -3.75 0.13 0.00 1.34 0.00 0.00 72.50 70.07 1nqw s THR 112 CO -0.07 -0.18 0.43 0.12 -0.54 0.00 0.00 174.62 174.38 1nqw s PHE 113 N -1.86 3.34 -0.34 3.99 5.36 -1.26 -1.45 117.98 125.76 1nqw s PHE 113 Ca 0.37 -1.57 0.07 0.00 -0.96 0.00 0.00 56.93 54.84 1nqw s PHE 113 Cb -0.11 -3.66 0.47 0.00 -0.34 0.00 0.00 43.02 39.38 1nqw s PHE 113 CO 0.29 -1.01 1.38 0.41 -1.46 0.00 0.00 175.22 174.84 1nqw n GLY 114 N 5.07 5.81 3.57 13.12 0.00 0.10 -4.72 105.19 128.14 1nqw n GLY 114 Ca -0.11 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.43 1nqw n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqw s VAL 115 N -4.13 5.29 0.14 1.61 1.01 -1.22 -2.89 120.40 120.21 1nqw s VAL 115 Ca 0.50 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 1nqw s VAL 115 Cb 0.42 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 1nqw s VAL 115 CO 0.01 0.15 1.05 -0.63 0.00 0.00 0.00 175.10 175.67 1nqw s ILE 116 N 1.79 4.16 -0.56 2.22 1.01 -0.18 -4.92 121.20 124.72 1nqw s ILE 116 Ca 0.08 1.81 0.04 0.00 0.00 0.00 0.00 60.65 62.57 1nqw s ILE 116 Cb -0.16 -4.15 0.16 0.00 0.01 0.00 0.00 42.46 38.31 1nqw s ILE 116 CO 0.11 0.28 0.37 0.42 0.00 0.00 0.00 174.94 176.12 1nqw s THR 117 N -0.03 2.03 0.06 2.92 -4.23 -1.26 -0.80 115.64 114.34 1nqw s THR 117 Ca 0.49 -3.44 0.02 0.00 -1.18 0.00 0.00 61.69 57.58 1nqw s THR 117 Cb -0.27 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 1nqw s THR 117 CO 0.32 -0.99 0.10 0.00 -0.54 0.00 0.00 174.62 173.51 1nqw s ALA 118 N -0.59 3.66 0.14 3.99 0.00 0.11 -5.01 121.76 124.05 1nqw s ALA 118 Ca 0.24 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1nqw s ALA 118 Cb -0.11 -1.54 -0.12 0.00 0.00 0.00 0.00 23.12 21.36 1nqw s ALA 118 CO -0.11 0.76 1.32 -0.44 0.00 0.00 0.00 175.76 177.29 1nqw h ASP 119 N 3.39 0.09 -4.35 0.00 3.32 -1.92 -1.02 116.42 115.92 1nqw h ASP 119 Ca -0.47 -0.09 -0.28 0.00 0.02 0.00 0.00 57.03 56.22 1nqw h ASP 119 Cb 1.17 -0.03 -0.15 0.00 0.22 0.00 0.00 39.33 40.54 1nqw h ASP 119 CO 0.67 1.00 -0.69 0.42 -1.72 0.00 0.00 179.24 178.92 1nqw s THR 120 N -2.89 0.85 0.22 0.35 -4.23 -1.26 -3.98 115.64 104.70 1nqw s THR 120 Ca -0.00 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.43 1nqw s THR 120 Cb 0.10 -1.87 0.19 0.00 1.34 0.00 0.00 72.50 72.25 1nqw s THR 120 CO 0.82 -0.71 1.89 0.25 -0.54 0.00 0.00 174.62 176.33 1nqw h LEU 121 N 2.82 0.92 -0.44 4.79 5.85 -1.92 -2.15 115.31 125.18 1nqw h LEU 121 Ca -0.36 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1nqw h LEU 121 Cb 1.19 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1nqw h LEU 121 CO 0.64 0.65 0.29 -0.08 -0.34 0.00 0.00 178.44 179.60 1nqw h GLU 122 N 1.08 0.59 -0.85 1.25 4.81 -1.99 -0.26 114.58 119.21 1nqw h GLU 122 Ca 0.31 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.55 1nqw h GLU 122 Cb -0.07 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.13 1nqw h GLU 122 CO -0.09 0.40 0.55 1.96 -0.73 0.00 0.00 179.01 181.11 1nqw h GLN 123 N 0.60 0.98 -0.40 1.92 4.20 -1.86 -0.88 115.11 119.67 1nqw h GLN 123 Ca 0.16 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 1nqw h GLN 123 Cb -0.06 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.49 1nqw h GLN 123 CO -0.03 0.65 -0.18 0.00 -0.67 0.00 0.00 178.83 178.60 1nqw h ALA 124 N 1.52 0.56 -0.64 3.87 0.00 -0.61 -2.76 119.26 121.20 1nqw h ALA 124 Ca 0.35 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1nqw h ALA 124 Cb 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1nqw h ALA 124 CO -0.11 0.50 0.15 0.82 0.00 0.00 0.00 179.25 180.61 1nqw h ILE 125 N 0.63 1.26 -0.83 0.00 2.04 -0.58 -2.22 117.51 117.81 1nqw h ILE 125 Ca 0.09 -0.94 0.12 0.00 1.00 0.00 0.00 64.86 65.13 1nqw h ILE 125 Cb 0.73 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 1nqw h ILE 125 CO 0.06 0.35 0.54 -0.33 0.00 0.00 0.00 178.15 178.77 1nqw h GLU 126 N 0.94 0.68 -0.14 2.37 5.08 -1.01 -2.42 114.58 120.09 1nqw h GLU 126 Ca 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1nqw h GLU 126 Cb 0.37 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1nqw h GLU 126 CO 0.00 0.45 0.00 0.54 -1.00 0.00 0.00 179.01 179.00 1nqw n ARG 127 N -4.53 2.12 -2.39 2.33 1.74 -0.88 -0.45 116.66 114.61 1nqw n ARG 127 Ca 0.15 -1.66 -0.30 0.00 -0.77 0.00 0.00 57.85 55.27 1nqw n ARG 127 Cb 0.39 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.37 1nqw n ARG 127 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nqw n ALA 128 N 0.95 5.37 -0.25 7.54 0.00 -0.91 -1.26 120.51 131.94 1nqw n ALA 128 Ca 0.17 -4.31 0.00 0.00 0.00 0.00 0.00 53.44 49.30 1nqw n ALA 128 Cb 0.50 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1nqw n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqw n GLY 129 N -0.47 0.85 0.00 0.00 0.00 0.10 -4.72 105.19 100.95 1nqw n GLY 129 Ca 0.42 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1nqw n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nqw n THR 130 N -2.25 0.00 0.27 2.61 -2.24 -1.20 -4.91 114.28 106.56 1nqw n THR 130 Ca 0.00 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.94 1nqw n THR 130 Cb 0.00 0.00 0.60 0.00 -2.10 0.00 0.00 70.33 68.83 1nqw n THR 130 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1nqw h LYS 131 N 0.00 0.00 -0.41 -0.78 2.10 -1.78 -0.20 116.57 115.50 1nqw h LYS 131 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1nqw h LYS 131 Cb 0.00 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 1nqw h LYS 131 CO 0.00 0.01 0.05 0.72 -2.00 0.00 0.00 179.45 178.22 1nqw n HIS 132 N -3.10 1.44 -3.09 0.07 8.25 0.40 -5.05 115.22 114.14 1nqw n HIS 132 Ca 0.01 -1.01 0.00 0.00 -0.26 0.00 0.00 57.72 56.46 1nqw n HIS 132 Cb 0.34 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.01 1nqw n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqw n GLY 133 N -0.35 -1.41 2.76 -1.41 0.00 -0.09 -4.69 105.19 100.00 1nqw n GLY 133 Ca 0.28 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 1nqw n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nqw s ASN 134 N -4.00 3.13 0.50 1.61 3.84 -1.25 0.00 114.94 118.77 1nqw s ASN 134 Ca 0.00 -0.94 0.20 0.00 0.21 0.00 0.00 52.86 52.33 1nqw s ASN 134 Cb 0.00 -0.68 1.30 0.00 -0.55 0.00 0.00 41.25 41.32 1nqw s ASN 134 CO 0.00 -0.31 2.09 0.50 -2.79 0.00 0.00 177.10 176.59 1nqw h LYS 135 N 8.20 0.00 -0.47 0.43 3.64 -1.51 -1.93 116.57 124.93 1nqw h LYS 135 Ca -0.16 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 1nqw h LYS 135 Cb 1.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1nqw h LYS 135 CO 0.36 0.10 0.16 0.78 -2.27 0.00 0.00 179.45 178.57 1nqw h GLY 136 N 0.40 0.78 0.94 5.01 0.00 -1.82 -1.47 103.07 106.90 1nqw h GLY 136 Ca -0.00 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.89 1nqw h GLY 136 CO 0.01 0.42 0.27 -0.25 0.00 0.00 0.00 176.54 176.99 1nqw h TRP 137 N 0.62 0.50 -0.54 5.60 7.01 -1.53 0.20 115.95 127.82 1nqw h TRP 137 Ca 0.15 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.14 1nqw h TRP 137 Cb 0.25 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 1nqw h TRP 137 CO 0.01 0.30 0.25 1.49 -2.79 0.00 0.00 178.44 177.70 1nqw h GLU 138 N 0.54 0.78 -0.04 2.65 4.81 -1.24 0.70 114.58 122.78 1nqw h GLU 138 Ca 0.17 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 1nqw h GLU 138 Cb -0.02 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1nqw h GLU 138 CO -0.06 0.66 -0.68 0.00 -0.73 0.00 0.00 179.01 178.20 1nqw h ALA 139 N 1.09 0.78 -0.13 2.92 0.00 -1.06 -1.60 119.26 121.26 1nqw h ALA 139 Ca 0.18 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1nqw h ALA 139 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nqw h ALA 139 CO -0.02 0.79 0.01 0.00 0.00 0.00 0.00 179.25 180.02 1nqw h ALA 140 N 1.16 0.17 -0.88 0.00 0.00 -0.45 -1.26 119.26 117.99 1nqw h ALA 140 Ca -0.02 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1nqw h ALA 140 Cb 1.21 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1nqw h ALA 140 CO 0.10 -0.15 0.57 1.25 0.00 0.00 0.00 179.25 181.02 1nqw h LEU 141 N -0.03 0.90 -0.73 0.00 5.85 -0.74 -0.17 115.31 120.39 1nqw h LEU 141 Ca 0.04 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 1nqw h LEU 141 Cb 0.33 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1nqw h LEU 141 CO 0.00 0.60 -0.04 -1.28 -0.34 0.00 0.00 178.44 177.38 1nqw h SER 142 N 1.03 0.92 -0.11 1.25 0.87 -1.09 -2.20 113.55 114.22 1nqw h SER 142 Ca 0.37 -0.26 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 1nqw h SER 142 Cb 0.13 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1nqw h SER 142 CO -0.13 1.00 -0.21 0.00 -0.53 0.00 0.00 176.83 176.97 1nqw h ALA 143 N 1.09 1.11 -0.19 6.23 0.00 0.11 -0.03 119.26 127.58 1nqw h ALA 143 Ca 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1nqw h ALA 143 Cb 0.56 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1nqw h ALA 143 CO 0.03 0.55 0.05 0.82 0.00 0.00 0.00 179.25 180.70 1nqw h ILE 144 N 0.47 1.20 -0.28 0.00 2.04 -0.87 -0.81 117.51 119.27 1nqw h ILE 144 Ca 0.08 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1nqw h ILE 144 Cb 0.62 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1nqw h ILE 144 CO 0.04 0.20 0.14 -0.08 0.00 0.00 0.00 178.15 178.46 1nqw h GLU 145 N 0.13 0.39 -0.62 2.37 4.81 -1.02 -1.54 114.58 119.10 1nqw h GLU 145 Ca 0.06 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1nqw h GLU 145 Cb 0.26 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1nqw h GLU 145 CO 0.00 0.36 0.02 0.52 -0.73 0.00 0.00 179.01 179.18 1nqw h MET 146 N 0.32 1.08 -0.47 1.92 2.86 -0.93 -0.18 114.93 119.52 1nqw h MET 146 Ca 0.10 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 1nqw h MET 146 Cb 0.09 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1nqw h MET 146 CO -0.01 1.04 0.25 0.00 1.06 0.00 0.00 176.91 179.24 1nqw h ALA 147 N 1.00 0.61 -0.50 6.32 0.00 -0.99 0.44 119.26 126.14 1nqw h ALA 147 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1nqw h ALA 147 Cb 0.54 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1nqw h ALA 147 CO 0.03 0.15 0.28 -0.91 0.00 0.00 0.00 179.25 178.79 1nqw h ASN 148 N 0.63 0.63 -0.62 0.00 -0.26 -0.99 -2.63 115.58 112.34 1nqw h ASN 148 Ca 0.17 -0.09 0.03 0.00 -0.56 0.00 0.00 56.30 55.84 1nqw h ASN 148 Cb 0.08 -0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 37.14 1nqw h ASN 148 CO -0.02 0.54 0.37 0.25 -1.06 0.00 0.00 177.43 177.51 1nqw h LEU 149 N 0.67 0.61 -0.88 1.61 5.85 -0.77 -1.89 115.31 120.50 1nqw h LEU 149 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1nqw h LEU 149 Cb 0.05 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1nqw h LEU 149 CO -0.03 0.42 0.00 0.49 -0.34 0.00 0.00 178.44 178.98 1nqw n PHE 150 N -4.73 0.78 0.22 1.25 3.01 0.12 -1.40 117.46 116.70 1nqw n PHE 150 Ca 0.06 0.33 0.06 0.00 1.01 0.00 0.00 57.45 58.91 1nqw n PHE 150 Cb 0.09 -1.03 0.49 0.00 -0.01 0.00 0.00 39.48 39.02 1nqw n PHE 150 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1nqw h LYS 151 N 0.00 0.00 0.00 -1.08 1.57 -1.02 -2.31 116.57 113.73 1nqw h LYS 151 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1nqw h LYS 151 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1nqw h LYS 151 CO 0.00 0.25 -1.59 -1.13 -0.57 0.00 0.00 179.45 176.41 1nqw n SER 152 N -4.04 2.41 0.04 0.86 3.41 -0.86 -4.73 113.62 110.71 1nqw n SER 152 Ca -0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.42 1nqw n SER 152 Cb 0.32 1.23 -0.14 0.00 -0.26 0.00 0.00 64.21 65.36 1nqw n SER 152 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1nqw h LEU 153 N 0.00 0.34 0.00 1.04 5.85 -1.22 -3.53 115.31 117.79 1nqw h LEU 153 Ca -0.11 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1nqw h LEU 153 Cb 0.94 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1nqw h LEU 153 CO 0.01 1.47 0.00 -1.14 -0.34 0.00 0.00 178.44 178.44