#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqv s GLN 2 N 0.00 4.51 -0.10 2.12 -0.21 -1.26 -5.03 119.66 119.69 1nqv s GLN 2 Ca 0.00 1.37 0.03 0.00 0.02 0.00 0.00 55.36 56.78 1nqv s GLN 2 Cb 0.00 -3.48 0.01 0.00 1.00 0.00 0.00 33.01 30.54 1nqv s GLN 2 CO 0.00 -0.12 -0.18 0.42 -2.12 0.00 0.00 175.29 173.29 1nqv s ILE 3 N 1.29 1.69 -0.09 1.08 1.01 -1.26 -5.11 121.20 119.80 1nqv s ILE 3 Ca 0.50 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 60.41 1nqv s ILE 3 Cb -0.20 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 1nqv s ILE 3 CO 0.24 0.48 -0.23 -0.31 0.00 0.00 0.00 174.94 175.12 1nqv s TYR 4 N 0.70 2.55 0.18 3.97 1.51 -1.26 -5.12 117.35 119.88 1nqv s TYR 4 Ca -0.12 -0.90 -0.15 0.00 -1.01 0.00 0.00 57.07 54.89 1nqv s TYR 4 Cb -0.16 -1.69 0.02 0.00 -0.11 0.00 0.00 41.96 40.02 1nqv s TYR 4 CO 0.03 -0.33 0.45 -1.83 -1.11 0.00 0.00 175.55 172.75 1nqv s GLU 5 N 0.17 1.29 -0.13 -0.62 -1.05 -1.26 -5.11 118.70 111.98 1nqv s GLU 5 Ca -0.13 -0.93 -0.03 0.00 -0.15 0.00 0.00 54.97 53.73 1nqv s GLU 5 Cb -0.16 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 33.97 1nqv s GLU 5 CO 0.07 -0.52 -0.02 0.20 0.95 0.00 0.00 175.26 175.93 1nqv s GLY 6 N -2.89 1.76 1.01 -3.83 0.00 -1.26 -4.46 107.32 97.65 1nqv s GLY 6 Ca 0.10 -0.82 -0.15 0.00 0.00 0.00 0.00 44.72 43.85 1nqv s GLY 6 CO -0.03 -0.27 1.18 -1.59 0.00 0.00 0.00 173.10 172.39 1nqv s LYS 7 N -0.12 0.35 -0.04 2.90 -2.85 -1.26 -4.84 119.74 113.88 1nqv s LYS 7 Ca 0.03 0.01 0.13 0.00 -1.00 0.00 0.00 55.97 55.14 1nqv s LYS 7 Cb -0.13 -1.77 0.40 0.00 -2.06 0.00 0.00 37.83 34.26 1nqv s LYS 7 CO 0.02 -2.68 1.33 1.28 0.10 0.00 0.00 175.35 175.40 1nqv n LEU 8 N -4.05 3.29 -4.76 2.77 4.77 -1.26 -4.09 117.00 113.67 1nqv n LEU 8 Ca 0.11 -2.21 -0.38 0.00 -0.03 0.00 0.00 56.01 53.49 1nqv n LEU 8 Cb 0.59 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1nqv n LEU 8 CO 0.51 0.74 0.21 0.42 -1.33 0.00 0.00 177.39 177.94 1nqv s THR 9 N -1.39 5.03 -0.70 -5.08 -4.23 -1.26 -4.86 115.64 103.16 1nqv s THR 9 Ca 0.30 1.05 0.15 0.00 -1.18 0.00 0.00 61.69 62.01 1nqv s THR 9 Cb 0.18 -3.84 0.50 0.00 1.34 0.00 0.00 72.50 70.69 1nqv s THR 9 CO 0.16 0.42 1.42 0.00 -0.54 0.00 0.00 174.62 176.09 1nqv n ALA 10 N 2.86 2.74 -1.66 3.99 0.00 0.14 -4.99 120.51 123.59 1nqv n ALA 10 Ca -0.09 -1.70 -0.52 0.00 0.00 0.00 0.00 53.44 51.14 1nqv n ALA 10 Cb 0.51 -0.70 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 1nqv n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1nqv n GLU 11 N 0.30 1.49 -0.44 0.00 2.13 -1.23 -1.38 120.64 121.51 1nqv n GLU 11 Ca 0.19 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1nqv n GLU 11 Cb 0.73 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 30.19 1nqv n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nqv n GLY 12 N 3.48 2.00 3.80 8.31 0.00 -1.26 -4.99 105.19 116.53 1nqv n GLY 12 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1nqv n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nqv s LEU 13 N 0.00 4.15 -0.13 0.99 1.43 -0.48 -5.05 118.68 119.60 1nqv s LEU 13 Ca 0.00 1.80 0.02 0.00 -1.03 0.00 0.00 54.13 54.93 1nqv s LEU 13 Cb 0.00 -4.25 0.01 0.00 0.03 0.00 0.00 46.19 41.98 1nqv s LEU 13 CO 0.00 -0.24 -0.20 -0.13 0.23 0.00 0.00 176.35 176.01 1nqv s ARG 14 N -2.56 2.73 0.02 1.70 0.52 -1.26 -4.60 118.95 115.50 1nqv s ARG 14 Ca 0.56 -0.75 0.09 0.00 -0.52 0.00 0.00 55.73 55.11 1nqv s ARG 14 Cb -0.15 -2.23 -0.03 0.00 0.52 0.00 0.00 34.95 33.06 1nqv s ARG 14 CO 0.20 -0.02 -0.26 -0.06 0.02 0.00 0.00 175.30 175.17 1nqv s PHE 15 N 0.86 2.32 -0.16 -0.53 0.40 -0.65 -0.49 117.98 119.73 1nqv s PHE 15 Ca -0.07 -0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 55.77 1nqv s PHE 15 Cb -0.15 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 1nqv s PHE 15 CO -0.01 0.07 0.06 0.20 0.70 0.00 0.00 175.22 176.23 1nqv s GLY 16 N -1.01 1.92 -0.11 4.36 0.00 -0.55 -0.50 107.32 111.43 1nqv s GLY 16 Ca 0.11 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.12 1nqv s GLY 16 CO 0.01 -0.07 -0.22 -0.42 0.00 0.00 0.00 173.10 172.39 1nqv s ILE 17 N 0.06 2.17 -0.23 0.90 1.01 0.51 0.05 121.20 125.67 1nqv s ILE 17 Ca 0.05 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 1nqv s ILE 17 Cb -0.12 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1nqv s ILE 17 CO 0.01 0.55 -0.07 -0.69 0.00 0.00 0.00 174.94 174.74 1nqv s VAL 18 N 0.47 3.03 -0.09 2.92 1.01 -0.28 -0.53 120.40 126.93 1nqv s VAL 18 Ca -0.15 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1nqv s VAL 18 Cb -0.17 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.79 1nqv s VAL 18 CO 0.06 0.35 -0.17 0.00 0.00 0.00 0.00 175.10 175.34 1nqv s ALA 19 N 1.40 1.68 0.48 5.51 0.00 0.16 -0.63 121.76 130.37 1nqv s ALA 19 Ca 0.04 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.19 1nqv s ALA 19 Cb -0.15 -0.71 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 1nqv s ALA 19 CO -0.05 0.14 0.89 -1.54 0.00 0.00 0.00 175.76 175.20 1nqv s SER 20 N 0.61 6.50 0.05 0.00 1.04 -0.90 -1.86 113.70 119.13 1nqv s SER 20 Ca -0.15 1.33 0.19 0.00 0.48 0.00 0.00 55.95 57.81 1nqv s SER 20 Cb -0.16 -2.41 -0.16 0.00 0.10 0.00 0.00 66.02 63.39 1nqv s SER 20 CO 0.05 -0.56 0.72 0.54 0.98 0.00 0.00 173.24 174.97 1nqv n ARG 21 N -1.70 0.63 -1.72 4.02 1.74 0.40 -4.75 116.66 115.28 1nqv n ARG 21 Ca 0.04 0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 56.78 1nqv n ARG 21 Cb 0.54 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 30.24 1nqv n ARG 21 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nqv n PHE 22 N -2.69 2.63 -3.70 -1.55 7.35 -0.35 -0.99 117.46 118.16 1nqv n PHE 22 Ca -0.09 0.30 -0.25 0.00 -0.76 0.00 0.00 57.45 56.64 1nqv n PHE 22 Cb 0.75 -2.56 0.06 0.00 0.35 0.00 0.00 39.48 38.08 1nqv n PHE 22 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1nqv n ASN 23 N 2.29 -5.14 0.24 -2.13 3.02 -1.26 -4.49 115.26 107.79 1nqv n ASN 23 Ca 0.10 -0.65 0.13 0.00 -0.03 0.00 0.00 54.58 54.13 1nqv n ASN 23 Cb 0.35 -4.59 0.76 0.00 -0.61 0.00 0.00 39.78 35.70 1nqv n ASN 23 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 1nqv h HIS 24 N -2.38 0.00 0.00 3.10 2.07 -1.36 -0.47 115.15 116.11 1nqv h HIS 24 Ca -0.58 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 56.93 1nqv h HIS 24 Cb 1.37 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.35 1nqv h HIS 24 CO 0.52 0.00 -0.07 0.00 -3.07 0.00 0.00 177.93 175.31 1nqv h ALA 25 N 1.94 1.54 0.03 6.11 0.00 -1.90 0.64 119.26 127.62 1nqv h ALA 25 Ca 0.03 -0.06 -0.37 0.00 0.00 0.00 0.00 54.91 54.51 1nqv h ALA 25 Cb 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1nqv h ALA 25 CO -0.00 0.08 -2.12 1.28 0.00 0.00 0.00 179.25 178.49 1nqv n LEU 26 N -3.95 2.38 -0.30 0.00 4.77 -0.27 -4.27 117.00 115.36 1nqv n LEU 26 Ca -0.03 0.20 0.06 0.00 -0.03 0.00 0.00 56.01 56.21 1nqv n LEU 26 Cb 0.16 -0.95 0.27 0.00 -2.33 0.00 0.00 43.42 40.57 1nqv n LEU 26 CO 0.30 0.68 1.24 0.58 -1.33 0.00 0.00 177.39 178.86 1nqv h VAL 27 N -0.47 0.99 -0.07 4.08 2.07 -1.16 -1.04 116.25 120.65 1nqv h VAL 27 Ca -0.53 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1nqv h VAL 27 Cb 1.73 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1nqv h VAL 27 CO -0.16 0.17 0.02 0.44 0.02 0.00 0.00 177.57 178.06 1nqv h ASP 28 N 0.94 0.08 0.01 0.57 3.32 -1.08 -0.09 116.42 120.17 1nqv h ASP 28 Ca 0.42 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.29 1nqv h ASP 28 Cb 0.36 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1nqv h ASP 28 CO -0.18 0.09 -0.61 0.03 -1.72 0.00 0.00 179.24 176.84 1nqv h ARG 29 N 0.10 0.60 -0.69 3.56 2.47 -1.38 -2.39 114.38 116.65 1nqv h ARG 29 Ca 0.03 -0.41 -0.06 0.00 -1.26 0.00 0.00 59.98 58.27 1nqv h ARG 29 Cb 0.04 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.39 1nqv h ARG 29 CO -0.00 1.03 0.18 -0.07 0.56 0.00 0.00 179.97 181.67 1nqv h LEU 30 N 0.44 1.03 -0.42 3.04 3.38 -0.77 -1.34 115.31 120.67 1nqv h LEU 30 Ca -0.01 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1nqv h LEU 30 Cb 1.18 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1nqv h LEU 30 CO 0.12 0.98 0.02 0.58 0.09 0.00 0.00 178.44 180.22 1nqv h VAL 31 N 1.04 1.26 -0.58 1.22 2.07 -1.04 -1.17 116.25 119.05 1nqv h VAL 31 Ca 0.22 -0.99 0.09 0.00 0.82 0.00 0.00 66.70 66.83 1nqv h VAL 31 Cb 0.35 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1nqv h VAL 31 CO -0.00 0.34 0.20 -0.33 0.02 0.00 0.00 177.57 177.80 1nqv h GLU 32 N 0.57 0.36 -0.55 1.57 5.08 -1.21 -1.14 114.58 119.27 1nqv h GLU 32 Ca 0.12 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1nqv h GLU 32 Cb 0.46 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1nqv h GLU 32 CO 0.02 0.24 0.02 0.78 -1.00 0.00 0.00 179.01 179.07 1nqv h GLY 33 N 0.37 1.04 0.92 -3.84 0.00 -0.89 -0.64 103.07 100.02 1nqv h GLY 33 Ca 0.29 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1nqv h GLY 33 CO -0.30 0.69 0.12 0.00 0.00 0.00 0.00 176.54 177.05 1nqv h ALA 34 N 0.97 0.42 -0.40 3.60 0.00 -0.86 0.25 119.26 123.23 1nqv h ALA 34 Ca 0.16 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1nqv h ALA 34 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1nqv h ALA 34 CO 0.02 0.03 0.03 0.82 0.00 0.00 0.00 179.25 180.16 1nqv h ILE 35 N 0.36 1.25 -0.28 0.00 2.04 -1.11 -1.50 117.51 118.27 1nqv h ILE 35 Ca 0.10 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.04 1nqv h ILE 35 Cb 0.21 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1nqv h ILE 35 CO -0.01 0.32 0.14 -0.78 0.00 0.00 0.00 178.15 177.83 1nqv h ASP 36 N 0.52 0.22 -0.39 1.72 3.58 -0.98 -0.20 116.42 120.90 1nqv h ASP 36 Ca 0.12 0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.63 1nqv h ASP 36 Cb 0.43 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.40 1nqv h ASP 36 CO 0.01 0.16 0.12 0.00 -2.88 0.00 0.00 179.24 176.65 1nqv h ILE 38 N 0.26 0.80 -0.34 0.00 2.04 -0.83 -2.49 117.51 116.96 1nqv h ILE 38 Ca 0.18 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 1nqv h ILE 38 Cb 0.18 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1nqv h ILE 38 CO -0.20 0.02 0.09 0.58 0.00 0.00 0.00 178.15 178.64 1nqv h VAL 39 N -0.33 1.22 0.00 1.67 2.07 -0.81 -1.13 116.25 118.93 1nqv h VAL 39 Ca -0.03 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1nqv h VAL 39 Cb 0.26 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1nqv h VAL 39 CO 0.05 0.24 0.00 0.54 0.02 0.00 0.00 177.57 178.42 1nqv n ARG 40 N -4.64 0.09 -0.14 1.57 1.74 -0.30 -1.52 116.66 113.45 1nqv n ARG 40 Ca -0.02 0.05 0.08 0.00 -0.77 0.00 0.00 57.85 57.20 1nqv n ARG 40 Cb 0.18 -1.50 0.25 0.00 -1.02 0.00 0.00 32.46 30.38 1nqv n ARG 40 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1nqv n HIS 41 N -1.45 0.37 -0.11 -1.55 8.25 -0.94 -4.94 115.22 114.86 1nqv n HIS 41 Ca 0.08 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1nqv n HIS 41 Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1nqv n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqv n GLY 42 N 1.11 0.55 3.80 -1.41 0.00 -0.58 0.27 105.19 108.93 1nqv n GLY 42 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1nqv n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqv s GLY 43 N -1.14 2.48 0.08 -0.02 0.00 -0.47 -3.58 107.32 104.66 1nqv s GLY 43 Ca 0.00 0.56 -0.18 0.00 0.00 0.00 0.00 44.72 45.11 1nqv s GLY 43 CO 0.00 0.88 0.54 0.50 0.00 0.00 0.00 173.10 175.02 1nqv s ARG 44 N -3.25 4.12 0.43 2.90 0.52 -1.26 -4.10 118.95 118.31 1nqv s ARG 44 Ca 0.66 0.65 0.20 0.00 -0.52 0.00 0.00 55.73 56.72 1nqv s ARG 44 Cb -0.15 -3.17 0.99 0.00 0.52 0.00 0.00 34.95 33.14 1nqv s ARG 44 CO 0.19 0.61 1.90 1.05 0.02 0.00 0.00 175.30 179.07 1nqv h GLU 45 N 4.35 0.00 0.00 3.54 -0.00 -1.96 -1.01 114.58 119.51 1nqv h GLU 45 Ca -0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 58.86 1nqv h GLU 45 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.96 1nqv h GLU 45 CO 0.64 0.27 -0.03 0.93 -0.00 0.00 0.00 179.01 180.81 1nqv h GLU 46 N 0.00 0.00 -0.45 1.06 3.07 -2.00 -1.85 114.58 114.41 1nqv h GLU 46 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1nqv h GLU 46 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1nqv h GLU 46 CO 0.03 0.03 0.00 -0.25 -1.40 0.00 0.00 179.01 177.43 1nqv n ASP 47 N -3.22 2.40 -4.76 1.42 8.00 -0.38 -4.84 116.55 115.16 1nqv n ASP 47 Ca -0.01 -1.99 -0.36 0.00 0.71 0.00 0.00 54.79 53.14 1nqv n ASP 47 Cb 0.21 -0.30 -0.08 0.00 -0.02 0.00 0.00 41.12 40.94 1nqv n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nqv s ILE 48 N -1.41 5.25 -0.20 0.53 1.01 -0.70 -1.63 121.20 124.05 1nqv s ILE 48 Ca 0.30 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 61.05 1nqv s ILE 48 Cb 0.16 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 1nqv s ILE 48 CO 0.21 0.51 -0.07 -0.89 0.00 0.00 0.00 174.94 174.70 1nqv s THR 49 N -0.17 3.19 -0.18 2.92 2.01 0.35 -4.98 115.64 118.78 1nqv s THR 49 Ca 0.10 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.48 1nqv s THR 49 Cb -0.12 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1nqv s THR 49 CO 0.01 0.46 0.02 -0.22 -0.69 0.00 0.00 174.62 174.19 1nqv s LEU 50 N 1.22 3.46 -0.15 4.42 2.96 -1.26 -0.36 118.68 128.97 1nqv s LEU 50 Ca 0.02 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1nqv s LEU 50 Cb -0.14 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.69 1nqv s LEU 50 CO -0.03 0.12 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.25 1nqv s VAL 51 N 0.65 2.28 -0.12 1.68 1.01 0.31 -4.98 120.40 121.23 1nqv s VAL 51 Ca 0.01 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1nqv s VAL 51 Cb -0.14 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1nqv s VAL 51 CO 0.02 0.53 0.15 -0.13 0.00 0.00 0.00 175.10 175.67 1nqv s ARG 52 N 0.88 3.50 0.13 2.72 0.52 -1.26 -0.67 118.95 124.78 1nqv s ARG 52 Ca -0.05 -0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.07 1nqv s ARG 52 Cb -0.15 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.07 1nqv s ARG 52 CO -0.03 0.75 -0.06 0.14 0.02 0.00 0.00 175.30 176.12 1nqv s VAL 53 N -0.95 0.83 0.09 3.52 -7.23 -0.78 -4.95 120.40 110.93 1nqv s VAL 53 Ca 0.15 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 58.04 1nqv s VAL 53 Cb -0.12 -1.84 -0.15 0.00 0.56 0.00 0.00 36.38 34.83 1nqv s VAL 53 CO 0.04 -0.74 1.65 -0.65 -0.31 0.00 0.00 175.10 175.09 1nqv h PRO 54 N 2.84 -0.58 -4.55 4.82 0.11 -1.94 0.11 132.00 132.82 1nqv h PRO 54 Ca -0.36 0.04 -0.33 0.00 0.11 0.00 0.00 66.00 65.46 1nqv h PRO 54 Cb 1.18 0.13 -0.12 0.00 0.11 0.00 0.00 31.00 32.30 1nqv h PRO 54 CO 0.64 -0.39 -0.44 0.20 -0.21 0.00 0.00 178.00 177.81 1nqv s GLY 55 N -2.20 1.75 0.45 -0.55 0.00 -1.26 -1.21 107.32 104.30 1nqv s GLY 55 Ca -0.16 -1.76 0.13 0.00 0.00 0.00 0.00 44.72 42.93 1nqv s GLY 55 CO 0.64 -1.29 2.03 1.76 0.00 0.00 0.00 173.10 176.24 1nqv h SER 56 N 2.29 0.32 -0.89 1.64 0.02 -1.91 -0.91 113.55 114.10 1nqv h SER 56 Ca -0.29 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 60.81 1nqv h SER 56 Cb 1.24 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.64 1nqv h SER 56 CO 0.42 0.21 0.57 -0.25 -1.14 0.00 0.00 176.83 176.64 1nqv h TRP 57 N 0.37 0.79 -0.01 3.45 2.91 -1.96 -1.56 115.95 119.95 1nqv h TRP 57 Ca 0.20 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.24 1nqv h TRP 57 Cb 0.32 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 28.72 1nqv h TRP 57 CO -0.00 0.28 -0.22 0.39 -1.03 0.00 0.00 178.44 177.86 1nqv n GLU 58 N -4.56 0.68 -0.05 2.65 4.71 -0.35 -4.29 120.64 119.43 1nqv n GLU 58 Ca 0.18 -0.34 -0.10 0.00 -0.01 0.00 0.00 57.16 56.88 1nqv n GLU 58 Cb 0.49 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.39 1nqv n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1nqv h ILE 59 N 0.83 1.10 -0.18 -3.67 2.04 -1.22 -3.15 117.51 113.25 1nqv h ILE 59 Ca 0.00 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.63 1nqv h ILE 59 Cb 0.46 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1nqv h ILE 59 CO 0.00 0.10 -0.06 -0.65 0.00 0.00 0.00 178.15 177.54 1nqv h PRO 60 N 0.21 -0.02 -0.61 2.37 0.11 -1.76 0.41 132.00 132.71 1nqv h PRO 60 Ca 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1nqv h PRO 60 Cb 0.06 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.14 1nqv h PRO 60 CO -0.01 -0.01 0.33 -0.24 -0.21 0.00 0.00 178.00 177.85 1nqv h VAL 61 N -0.02 1.19 -0.28 3.15 3.04 -1.84 0.42 116.25 121.91 1nqv h VAL 61 Ca 0.09 -0.48 -0.18 0.00 -1.01 0.00 0.00 66.70 65.11 1nqv h VAL 61 Cb 0.16 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 29.81 1nqv h VAL 61 CO -0.20 0.21 -0.54 0.00 -1.01 0.00 0.00 177.57 176.03 1nqv h ALA 62 N 1.51 0.44 -0.51 3.17 0.00 -1.44 -3.04 119.26 119.39 1nqv h ALA 62 Ca 0.22 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1nqv h ALA 62 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1nqv h ALA 62 CO -0.03 0.65 0.26 0.00 0.00 0.00 0.00 179.25 180.13 1nqv h ALA 63 N 0.67 1.50 -0.85 0.00 0.00 -0.15 -1.36 119.26 119.06 1nqv h ALA 63 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nqv h ALA 63 Cb 1.15 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1nqv h ALA 63 CO 0.12 0.41 0.54 0.78 0.00 0.00 0.00 179.25 181.10 1nqv h GLY 64 N 0.80 1.21 1.08 0.00 0.00 -0.84 0.18 103.07 105.51 1nqv h GLY 64 Ca 0.18 -0.48 -0.18 0.00 0.00 0.00 0.00 47.33 46.85 1nqv h GLY 64 CO -0.03 0.47 -0.59 0.83 0.00 0.00 0.00 176.54 177.22 1nqv h GLU 65 N 1.16 0.76 -0.20 4.80 4.39 -1.17 -2.88 114.58 121.45 1nqv h GLU 65 Ca 0.31 -0.54 -0.05 0.00 0.34 0.00 0.00 59.36 59.41 1nqv h GLU 65 Cb -0.09 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1nqv h GLU 65 CO -0.06 1.17 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.80 1nqv h LEU 66 N 0.49 0.41 -2.43 1.33 3.38 -1.07 -2.99 115.31 114.44 1nqv h LEU 66 Ca -0.02 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1nqv h LEU 66 Cb 1.21 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1nqv h LEU 66 CO 0.13 0.72 -0.03 0.00 0.09 0.00 0.00 178.44 179.35 1nqv h ALA 67 N 0.70 1.24 0.00 1.53 0.00 -0.71 -0.97 119.26 121.05 1nqv h ALA 67 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nqv h ALA 67 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1nqv h ALA 67 CO 0.03 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.85 1nqv n ARG 68 N -3.46 0.18 -2.41 0.00 1.74 -1.09 -4.80 116.66 106.82 1nqv n ARG 68 Ca -0.02 0.24 -0.42 0.00 -0.77 0.00 0.00 57.85 56.88 1nqv n ARG 68 Cb 0.14 -1.75 -0.03 0.00 -1.02 0.00 0.00 32.46 29.80 1nqv n ARG 68 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1nqv s LYS 69 N -3.14 4.39 0.52 5.56 1.02 -0.37 -4.90 119.74 122.83 1nqv s LYS 69 Ca 0.09 1.77 0.28 0.00 0.02 0.00 0.00 55.97 58.13 1nqv s LYS 69 Cb 0.12 -3.43 1.44 0.00 -0.52 0.00 0.00 37.83 35.44 1nqv s LYS 69 CO 0.50 -0.35 2.06 1.49 -0.92 0.00 0.00 175.35 178.13 1nqv h GLU 70 N 7.10 0.00 -0.68 1.68 4.81 -1.88 -2.29 114.58 123.32 1nqv h GLU 70 Ca -0.39 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1nqv h GLU 70 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1nqv h GLU 70 CO 0.84 0.12 0.02 -0.40 -0.73 0.00 0.00 179.01 178.86 1nqv n ASP 71 N -3.56 4.72 -4.27 1.04 5.75 -1.26 -4.78 116.55 114.18 1nqv n ASP 71 Ca -0.02 -2.76 -0.34 0.00 -0.01 0.00 0.00 54.79 51.67 1nqv n ASP 71 Cb 0.25 -0.65 -0.15 0.00 -1.03 0.00 0.00 41.12 39.54 1nqv n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1nqv s ILE 72 N -2.40 2.94 -0.02 2.12 -1.09 -0.86 -4.77 121.20 117.11 1nqv s ILE 72 Ca 0.43 -0.65 0.12 0.00 -2.23 0.00 0.00 60.65 58.32 1nqv s ILE 72 Cb 0.33 -2.29 -0.17 0.00 -1.58 0.00 0.00 42.46 38.75 1nqv s ILE 72 CO 0.12 0.48 0.98 0.44 -1.23 0.00 0.00 174.94 175.73 1nqv h ASP 73 N 7.77 0.00 -5.00 3.58 3.32 -1.09 -3.47 116.42 121.54 1nqv h ASP 73 Ca -0.39 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 1nqv h ASP 73 Cb 1.17 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.56 1nqv h ASP 73 CO 0.60 0.86 0.20 0.00 -1.72 0.00 0.00 179.24 179.18 1nqv s ALA 74 N -2.74 -1.66 -0.04 3.45 0.00 -1.23 -4.45 121.76 115.09 1nqv s ALA 74 Ca -0.02 0.85 0.06 0.00 0.00 0.00 0.00 51.96 52.86 1nqv s ALA 74 Cb 0.09 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 1nqv s ALA 74 CO 0.81 -0.59 -0.22 0.08 0.00 0.00 0.00 175.76 175.84 1nqv s VAL 75 N -2.60 2.35 -0.24 0.00 1.01 -0.73 -1.49 120.40 118.71 1nqv s VAL 75 Ca -0.04 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 1nqv s VAL 75 Cb -0.01 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1nqv s VAL 75 CO -0.03 0.58 -0.03 -0.63 0.00 0.00 0.00 175.10 174.99 1nqv s ILE 76 N -0.53 3.30 -0.21 2.22 1.01 0.11 -0.43 121.20 126.67 1nqv s ILE 76 Ca 0.07 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 59.87 1nqv s ILE 76 Cb -0.11 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1nqv s ILE 76 CO 0.00 0.30 0.43 0.00 0.00 0.00 0.00 174.94 175.68 1nqv s ALA 77 N 1.43 3.56 -0.10 9.38 0.00 -0.47 -1.12 121.76 134.43 1nqv s ALA 77 Ca 0.04 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.47 1nqv s ALA 77 Cb -0.15 -2.70 0.02 0.00 0.00 0.00 0.00 23.12 20.29 1nqv s ALA 77 CO -0.03 -0.40 -0.10 0.42 0.00 0.00 0.00 175.76 175.65 1nqv s ILE 78 N 1.54 1.14 0.19 0.00 1.01 0.20 0.29 121.20 125.56 1nqv s ILE 78 Ca 0.20 -0.40 -0.24 0.00 0.00 0.00 0.00 60.65 60.22 1nqv s ILE 78 Cb -0.15 -1.10 0.05 0.00 0.01 0.00 0.00 42.46 41.27 1nqv s ILE 78 CO 0.09 0.38 0.83 -0.83 0.00 0.00 0.00 174.94 175.41 1nqv s GLY 79 N 1.33 -0.23 -0.15 6.18 0.00 -1.17 -2.11 107.32 111.17 1nqv s GLY 79 Ca -0.02 0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.75 1nqv s GLY 79 CO -0.05 0.01 0.01 0.14 0.00 0.00 0.00 173.10 173.22 1nqv s VAL 80 N -3.55 0.56 -0.16 1.40 1.01 -1.26 -0.72 120.40 117.68 1nqv s VAL 80 Ca 0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 1nqv s VAL 80 Cb -0.03 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1nqv s VAL 80 CO 0.02 -0.00 -0.03 -0.76 0.00 0.00 0.00 175.10 174.32 1nqv s LEU 81 N 1.86 3.22 -0.06 3.92 1.43 -0.05 -4.70 118.68 124.30 1nqv s LEU 81 Ca 0.01 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 1nqv s LEU 81 Cb -0.15 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1nqv s LEU 81 CO -0.07 0.14 -0.16 -0.63 0.23 0.00 0.00 176.35 175.86 1nqv s ILE 82 N 0.51 1.43 0.23 -0.59 1.01 -1.26 -0.84 121.20 121.69 1nqv s ILE 82 Ca -0.03 -0.67 -0.31 0.00 0.00 0.00 0.00 60.65 59.64 1nqv s ILE 82 Cb -0.14 -1.26 -0.11 0.00 0.01 0.00 0.00 42.46 40.96 1nqv s ILE 82 CO 0.03 0.42 1.60 -0.60 0.00 0.00 0.00 174.94 176.38 1nqv s ARG 83 N 0.38 4.17 0.00 2.79 3.52 0.02 -4.94 118.95 124.89 1nqv s ARG 83 Ca -0.12 2.49 0.00 0.00 -0.13 0.00 0.00 55.73 57.98 1nqv s ARG 83 Cb -0.15 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 1nqv s ARG 83 CO 0.04 -0.63 0.00 0.41 -0.81 0.00 0.00 175.30 174.32 1nqv n GLY 84 N 3.02 1.59 0.16 8.12 0.00 -1.26 -4.87 105.19 111.94 1nqv n GLY 84 Ca 0.11 -1.93 0.04 0.00 0.00 0.00 0.00 46.02 44.25 1nqv n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqv h ALA 85 N -1.16 0.75 -1.08 4.61 0.00 -2.01 -3.47 119.26 116.91 1nqv h ALA 85 Ca 0.00 -0.41 -0.55 0.00 0.00 0.00 0.00 54.91 53.95 1nqv h ALA 85 Cb 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1nqv h ALA 85 CO 0.00 0.56 -0.36 0.95 0.00 0.00 0.00 179.25 180.40 1nqv s THR 86 N -3.10 2.11 -2.00 0.00 -4.23 -1.26 -5.01 115.64 102.16 1nqv s THR 86 Ca 0.03 -1.48 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 1nqv s THR 86 Cb 0.08 -2.59 0.09 0.00 1.34 0.00 0.00 72.50 71.42 1nqv s THR 86 CO 0.73 0.00 0.89 -0.81 -0.54 0.00 0.00 174.62 174.89 1nqv n PRO 87 N -1.60 0.76 -0.27 3.99 -0.04 -1.26 -3.93 135.00 132.65 1nqv n PRO 87 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.52 1nqv n PRO 87 Cb 0.63 -1.06 0.16 0.00 -0.04 0.00 0.00 33.50 33.19 1nqv n PRO 87 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1nqv h HIS 88 N 0.00 -0.15 -0.50 0.54 2.76 -1.95 -0.76 115.15 115.09 1nqv h HIS 88 Ca 0.00 0.06 0.08 0.00 -2.20 0.00 0.00 60.37 58.32 1nqv h HIS 88 Cb 0.00 0.19 -0.07 0.00 1.55 0.00 0.00 27.41 29.08 1nqv h HIS 88 CO 0.00 -0.29 0.11 0.35 -1.30 0.00 0.00 177.93 176.80 1nqv h PHE 89 N 0.06 0.17 -0.26 5.26 3.57 -1.93 -2.15 116.94 121.68 1nqv h PHE 89 Ca 0.42 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.99 1nqv h PHE 89 Cb 0.74 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1nqv h PHE 89 CO -0.49 0.00 0.07 -0.44 -2.23 0.00 0.00 178.31 175.23 1nqv h ASP 90 N 0.25 0.05 -0.41 0.41 5.19 -1.44 0.12 116.42 120.59 1nqv h ASP 90 Ca 0.25 0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.59 1nqv h ASP 90 Cb 0.33 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 1nqv h ASP 90 CO -0.32 0.06 -0.12 1.88 -3.12 0.00 0.00 179.24 177.62 1nqv h TYR 91 N 0.18 0.97 -0.09 4.55 0.05 -1.11 -0.43 116.97 121.09 1nqv h TYR 91 Ca 0.12 -0.19 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 1nqv h TYR 91 Cb 0.11 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.60 1nqv h TYR 91 CO -0.15 0.94 -0.18 0.82 -1.05 0.00 0.00 178.16 178.54 1nqv h ILE 92 N 0.78 1.40 -0.76 -2.88 2.04 -1.21 -1.95 117.51 114.94 1nqv h ILE 92 Ca 0.13 -1.49 0.06 0.00 1.00 0.00 0.00 64.86 64.55 1nqv h ILE 92 Cb 0.64 2.16 -0.06 0.00 -0.74 0.00 0.00 36.82 38.83 1nqv h ILE 92 CO 0.04 0.42 0.46 0.00 0.00 0.00 0.00 178.15 179.07 1nqv h ALA 93 N 0.50 1.03 -0.23 1.87 0.00 -0.71 0.84 119.26 122.56 1nqv h ALA 93 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nqv h ALA 93 Cb 0.78 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1nqv h ALA 93 CO 0.04 0.18 0.10 0.77 0.00 0.00 0.00 179.25 180.34 1nqv h SER 94 N 0.84 0.31 0.77 0.00 0.02 -1.05 -2.53 113.55 111.91 1nqv h SER 94 Ca 0.33 -0.14 -0.16 0.00 -0.84 0.00 0.00 61.79 60.98 1nqv h SER 94 Cb 0.16 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1nqv h SER 94 CO -0.17 0.37 -0.77 -0.33 -1.14 0.00 0.00 176.83 174.78 1nqv h GLU 95 N 0.24 0.00 -0.24 3.45 4.39 -0.88 -1.29 114.58 120.25 1nqv h GLU 95 Ca 0.08 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 1nqv h GLU 95 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1nqv h GLU 95 CO -0.01 0.77 -0.13 -0.24 -1.16 0.00 0.00 179.01 178.25 1nqv h VAL 96 N 0.00 1.30 -0.34 3.13 3.04 -0.81 -0.82 116.25 121.75 1nqv h VAL 96 Ca -0.01 -1.21 -0.07 0.00 -1.01 0.00 0.00 66.70 64.39 1nqv h VAL 96 Cb 1.37 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 32.23 1nqv h VAL 96 CO 0.10 0.38 -0.07 0.77 -1.01 0.00 0.00 177.57 177.73 1nqv h SER 97 N 0.22 0.66 -0.51 3.17 4.64 -1.46 -1.90 113.55 118.37 1nqv h SER 97 Ca 0.05 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1nqv h SER 97 Cb 0.63 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1nqv h SER 97 CO 0.04 0.86 0.32 0.50 -0.87 0.00 0.00 176.83 177.68 1nqv h LYS 98 N 0.44 0.67 -0.28 4.77 3.64 -1.20 -1.63 116.57 122.99 1nqv h LYS 98 Ca 0.09 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1nqv h LYS 98 Cb 0.57 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1nqv h LYS 98 CO 0.03 0.46 0.13 0.78 -2.27 0.00 0.00 179.45 178.58 1nqv h GLY 99 N 0.68 0.43 1.00 5.01 0.00 -1.00 -0.20 103.07 109.00 1nqv h GLY 99 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1nqv h GLY 99 CO -0.04 0.21 0.22 1.41 0.00 0.00 0.00 176.54 178.34 1nqv h LEU 100 N 0.31 0.39 -0.50 3.11 3.38 -1.28 0.49 115.31 121.22 1nqv h LEU 100 Ca 0.09 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1nqv h LEU 100 Cb 0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1nqv h LEU 100 CO -0.01 0.29 0.20 0.00 0.09 0.00 0.00 178.44 179.01 1nqv h ALA 101 N 1.12 0.65 -0.50 1.53 0.00 -1.06 -1.84 119.26 119.16 1nqv h ALA 101 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1nqv h ALA 101 Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1nqv h ALA 101 CO -0.03 0.26 0.29 -0.91 0.00 0.00 0.00 179.25 178.85 1nqv h ASN 102 N 0.67 0.61 -0.92 0.00 -0.26 -0.88 -2.49 115.58 112.31 1nqv h ASN 102 Ca 0.17 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 1nqv h ASN 102 Cb 0.19 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.25 1nqv h ASN 102 CO -0.01 0.51 0.53 -0.07 -1.06 0.00 0.00 177.43 177.32 1nqv h LEU 103 N 0.66 1.13 -0.83 1.61 3.38 -0.70 -0.14 115.31 120.42 1nqv h LEU 103 Ca 0.18 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1nqv h LEU 103 Cb 0.02 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1nqv h LEU 103 CO -0.03 0.89 0.55 -1.28 0.09 0.00 0.00 178.44 178.66 1nqv h SER 104 N 1.28 0.95 -0.17 -0.43 0.87 -1.01 0.91 113.55 115.95 1nqv h SER 104 Ca 0.33 -0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.69 1nqv h SER 104 Cb -0.01 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1nqv h SER 104 CO -0.06 0.69 -0.56 -0.07 -0.53 0.00 0.00 176.83 176.30 1nqv h LEU 105 N 1.12 0.80 -0.65 2.23 3.38 -1.14 0.38 115.31 121.43 1nqv h LEU 105 Ca 0.31 -0.60 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1nqv h LEU 105 Cb -0.12 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 1nqv h LEU 105 CO -0.07 1.26 0.15 -0.08 0.09 0.00 0.00 178.44 179.78 1nqv h GLU 106 N 0.38 1.06 -0.02 1.13 4.81 -0.74 -2.93 114.58 118.27 1nqv h GLU 106 Ca -0.02 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1nqv h GLU 106 Cb 1.19 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1nqv h GLU 106 CO 0.12 0.96 -0.04 1.28 -0.73 0.00 0.00 179.01 180.59 1nqv n LEU 107 N -4.28 2.00 -3.92 1.64 4.77 0.29 -4.95 117.00 112.56 1nqv n LEU 107 Ca 0.04 -0.67 -0.25 0.00 -0.03 0.00 0.00 56.01 55.11 1nqv n LEU 107 Cb 0.26 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1nqv n LEU 107 CO 0.42 0.34 -0.20 0.54 -1.33 0.00 0.00 177.39 177.16 1nqv n ARG 108 N 0.51 -3.58 -3.81 3.23 1.74 0.07 -4.97 116.66 109.85 1nqv n ARG 108 Ca 0.16 0.44 -0.13 0.00 -0.77 0.00 0.00 57.85 57.56 1nqv n ARG 108 Cb 0.44 -4.65 -0.13 0.00 -1.02 0.00 0.00 32.46 27.10 1nqv n ARG 108 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1nqv s LYS 109 N -6.46 0.18 0.22 5.56 2.20 -0.87 -5.05 119.74 115.52 1nqv s LYS 109 Ca 0.02 0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.57 1nqv s LYS 109 Cb -0.01 0.06 -0.10 0.00 -1.51 0.00 0.00 37.83 36.27 1nqv s LYS 109 CO 0.88 -0.04 1.45 -2.14 -0.36 0.00 0.00 175.35 175.14 1nqv s PRO 110 N 0.23 4.27 -0.14 4.03 0.02 -1.26 -4.48 135.00 137.67 1nqv s PRO 110 Ca -0.01 2.27 -0.01 0.00 0.02 0.00 0.00 61.00 63.27 1nqv s PRO 110 Cb -0.02 -3.14 0.04 0.00 0.02 0.00 0.00 34.50 31.40 1nqv s PRO 110 CO -0.01 -0.45 -0.02 0.42 -0.33 0.00 0.00 177.00 176.61 1nqv s ILE 111 N 0.34 0.81 0.29 2.83 1.01 -1.26 -1.77 121.20 123.45 1nqv s ILE 111 Ca 0.62 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.93 1nqv s ILE 111 Cb -0.41 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 1nqv s ILE 111 CO 0.39 0.12 0.43 0.42 0.00 0.00 0.00 174.94 176.30 1nqv s THR 112 N 1.77 4.75 -0.43 2.92 -4.23 0.43 -4.93 115.64 115.93 1nqv s THR 112 Ca 0.02 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 1nqv s THR 112 Cb -0.15 -3.68 0.12 0.00 1.34 0.00 0.00 72.50 70.13 1nqv s THR 112 CO -0.07 -0.28 0.18 0.12 -0.54 0.00 0.00 174.62 174.02 1nqv s PHE 113 N -2.10 3.57 -0.40 3.99 5.36 -1.26 -1.37 117.98 125.76 1nqv s PHE 113 Ca 0.39 -2.83 0.04 0.00 -0.96 0.00 0.00 56.93 53.57 1nqv s PHE 113 Cb -0.09 -3.03 0.46 0.00 -0.34 0.00 0.00 43.02 40.02 1nqv s PHE 113 CO 0.31 -0.91 1.43 0.41 -1.46 0.00 0.00 175.22 175.01 1nqv n GLY 114 N 4.05 6.25 3.60 13.12 0.00 0.14 -4.71 105.19 127.64 1nqv n GLY 114 Ca 0.03 -2.56 -0.37 0.00 0.00 0.00 0.00 46.02 43.12 1nqv n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqv s VAL 115 N -4.66 5.25 0.15 1.61 1.01 -1.21 -3.04 120.40 119.51 1nqv s VAL 115 Ca 0.55 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 62.39 1nqv s VAL 115 Cb 0.44 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 33.27 1nqv s VAL 115 CO 0.03 0.28 0.89 -0.63 0.00 0.00 0.00 175.10 175.67 1nqv s ILE 116 N 1.54 4.38 -0.49 2.22 1.01 0.10 -4.93 121.20 125.04 1nqv s ILE 116 Ca 0.07 1.94 0.03 0.00 0.00 0.00 0.00 60.65 62.69 1nqv s ILE 116 Cb -0.15 -4.26 0.15 0.00 0.01 0.00 0.00 42.46 38.20 1nqv s ILE 116 CO 0.09 0.42 0.30 0.42 0.00 0.00 0.00 174.94 176.17 1nqv s THR 117 N -0.59 1.64 -0.06 2.92 -4.23 -1.26 -0.87 115.64 113.20 1nqv s THR 117 Ca 0.42 -2.95 -0.02 0.00 -1.18 0.00 0.00 61.69 57.95 1nqv s THR 117 Cb -0.24 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 1nqv s THR 117 CO 0.29 -0.95 0.06 0.00 -0.54 0.00 0.00 174.62 173.48 1nqv s ALA 118 N -0.07 3.52 0.24 3.99 0.00 -0.02 -5.00 121.76 124.41 1nqv s ALA 118 Ca 0.21 -0.80 0.09 0.00 0.00 0.00 0.00 51.96 51.46 1nqv s ALA 118 Cb -0.17 -1.61 0.24 0.00 0.00 0.00 0.00 23.12 21.57 1nqv s ALA 118 CO -0.05 0.63 1.54 -0.44 0.00 0.00 0.00 175.76 177.44 1nqv h ASP 119 N 4.71 0.04 -4.40 0.00 3.32 -1.94 0.09 116.42 118.23 1nqv h ASP 119 Ca -0.51 -0.02 -0.27 0.00 0.02 0.00 0.00 57.03 56.25 1nqv h ASP 119 Cb 1.20 -0.01 -0.16 0.00 0.22 0.00 0.00 39.33 40.58 1nqv h ASP 119 CO 0.58 0.72 -0.71 0.42 -1.72 0.00 0.00 179.24 178.53 1nqv s THR 120 N -3.46 0.86 0.24 0.35 -4.23 -1.26 -3.96 115.64 104.17 1nqv s THR 120 Ca -0.01 -1.87 -0.07 0.00 -1.18 0.00 0.00 61.69 58.56 1nqv s THR 120 Cb 0.12 -1.61 0.23 0.00 1.34 0.00 0.00 72.50 72.58 1nqv s THR 120 CO 0.78 -0.76 1.91 0.25 -0.54 0.00 0.00 174.62 176.26 1nqv h LEU 121 N 3.11 1.04 -0.59 4.79 5.85 -1.93 -2.12 115.31 125.47 1nqv h LEU 121 Ca -0.36 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.37 1nqv h LEU 121 Cb 1.18 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1nqv h LEU 121 CO 0.61 0.75 0.35 -0.08 -0.34 0.00 0.00 178.44 179.73 1nqv h GLU 122 N 1.23 0.67 -0.64 1.25 4.81 -1.99 0.32 114.58 120.22 1nqv h GLU 122 Ca 0.34 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1nqv h GLU 122 Cb -0.11 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.09 1nqv h GLU 122 CO -0.08 0.44 0.38 1.96 -0.73 0.00 0.00 179.01 180.97 1nqv h GLN 123 N 0.69 0.87 -0.26 1.92 4.20 -1.83 -1.32 115.11 119.38 1nqv h GLN 123 Ca 0.24 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 1nqv h GLN 123 Cb 0.04 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1nqv h GLN 123 CO -0.11 0.62 -0.03 0.00 -0.67 0.00 0.00 178.83 178.64 1nqv h ALA 124 N 1.53 0.36 -0.51 3.87 0.00 -0.51 -2.87 119.26 121.12 1nqv h ALA 124 Ca 0.23 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1nqv h ALA 124 Cb -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1nqv h ALA 124 CO -0.04 0.12 0.31 0.82 0.00 0.00 0.00 179.25 180.46 1nqv h ILE 125 N 0.25 1.05 -0.99 0.00 2.04 -0.75 -1.91 117.51 117.21 1nqv h ILE 125 Ca 0.07 -0.21 0.22 0.00 1.00 0.00 0.00 64.86 65.94 1nqv h ILE 125 Cb 0.47 0.39 -0.09 0.00 -0.74 0.00 0.00 36.82 36.85 1nqv h ILE 125 CO 0.02 0.11 0.63 -0.33 0.00 0.00 0.00 178.15 178.58 1nqv h GLU 126 N 0.61 0.51 -0.20 2.37 5.08 -1.15 -2.38 114.58 119.42 1nqv h GLU 126 Ca 0.21 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1nqv h GLU 126 Cb 0.02 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1nqv h GLU 126 CO -0.09 0.33 0.00 0.54 -1.00 0.00 0.00 179.01 178.79 1nqv n ARG 127 N -4.64 2.34 -2.27 2.33 1.74 -0.79 -0.27 116.66 115.10 1nqv n ARG 127 Ca 0.23 -2.06 -0.31 0.00 -0.77 0.00 0.00 57.85 54.94 1nqv n ARG 127 Cb 0.72 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.71 1nqv n ARG 127 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nqv n ALA 128 N 1.38 5.52 0.00 7.54 0.00 -0.80 -1.74 120.51 132.41 1nqv n ALA 128 Ca 0.16 -4.23 0.00 0.00 0.00 0.00 0.00 53.44 49.37 1nqv n ALA 128 Cb 0.59 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1nqv n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqv n GLY 129 N -0.52 1.04 0.00 0.00 0.00 0.60 -4.72 105.19 101.59 1nqv n GLY 129 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1nqv n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nqv n THR 130 N -1.90 0.00 0.24 2.61 -2.24 -1.17 -4.93 114.28 106.88 1nqv n THR 130 Ca 0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1nqv n THR 130 Cb 0.00 0.00 0.59 0.00 -2.10 0.00 0.00 70.33 68.82 1nqv n THR 130 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1nqv h LYS 131 N 0.00 0.00 -0.81 -0.78 2.10 -1.83 -1.22 116.57 114.04 1nqv h LYS 131 Ca 0.00 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 58.27 1nqv h LYS 131 Cb 0.00 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 31.10 1nqv h LYS 131 CO 0.00 0.17 0.42 0.72 -2.00 0.00 0.00 179.45 178.76 1nqv n HIS 132 N -4.01 2.52 -3.28 0.07 8.25 0.63 -5.04 115.22 114.36 1nqv n HIS 132 Ca -0.02 -1.65 0.00 0.00 -0.26 0.00 0.00 57.72 55.79 1nqv n HIS 132 Cb 0.25 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.57 1nqv n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqv n GLY 133 N -0.93 -1.45 2.71 -1.41 0.00 -0.46 -4.60 105.19 99.05 1nqv n GLY 133 Ca 0.50 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 1nqv n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nqv s ASN 134 N -4.00 2.81 0.53 1.61 3.84 -1.25 -0.29 114.94 118.19 1nqv s ASN 134 Ca 0.00 -0.78 0.30 0.00 0.21 0.00 0.00 52.86 52.59 1nqv s ASN 134 Cb 0.00 -0.54 1.48 0.00 -0.55 0.00 0.00 41.25 41.64 1nqv s ASN 134 CO 0.00 -0.31 2.06 0.11 -2.79 0.00 0.00 177.10 176.17 1nqv h LYS 135 N 8.27 0.00 -0.21 0.43 1.79 -1.66 -1.40 116.57 123.79 1nqv h LYS 135 Ca -0.16 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.25 1nqv h LYS 135 Cb 1.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 1nqv h LYS 135 CO 0.33 0.10 -0.10 0.78 -1.08 0.00 0.00 179.45 179.48 1nqv h GLY 136 N 1.12 0.48 0.98 3.86 0.00 -1.82 -1.47 103.07 106.22 1nqv h GLY 136 Ca -0.00 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.91 1nqv h GLY 136 CO 0.01 0.39 0.35 -0.25 0.00 0.00 0.00 176.54 177.05 1nqv h TRP 137 N 0.14 0.66 -0.25 5.60 7.01 -1.51 -0.85 115.95 126.75 1nqv h TRP 137 Ca 0.05 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 1nqv h TRP 137 Cb 0.60 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 1nqv h TRP 137 CO 0.06 0.41 0.10 0.93 -2.79 0.00 0.00 178.44 177.16 1nqv h GLU 138 N 0.71 0.38 -0.26 2.65 5.08 -1.23 -0.51 114.58 121.40 1nqv h GLU 138 Ca 0.20 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1nqv h GLU 138 Cb -0.07 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1nqv h GLU 138 CO -0.05 0.41 -0.14 0.00 -1.00 0.00 0.00 179.01 178.23 1nqv h ALA 139 N 0.95 1.28 -0.25 3.43 0.00 -1.13 -1.15 119.26 122.38 1nqv h ALA 139 Ca 0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1nqv h ALA 139 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1nqv h ALA 139 CO -0.01 0.48 -0.02 0.00 0.00 0.00 0.00 179.25 179.70 1nqv h ALA 140 N 1.45 0.34 -0.89 0.00 0.00 -0.89 -0.91 119.26 118.35 1nqv h ALA 140 Ca 0.08 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1nqv h ALA 140 Cb 0.49 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1nqv h ALA 140 CO 0.03 0.10 0.57 1.25 0.00 0.00 0.00 179.25 181.20 1nqv h LEU 141 N 0.22 0.94 -0.75 0.00 5.85 -0.74 -0.03 115.31 120.79 1nqv h LEU 141 Ca 0.07 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1nqv h LEU 141 Cb 0.45 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1nqv h LEU 141 CO 0.02 0.63 0.33 -1.28 -0.34 0.00 0.00 178.44 177.79 1nqv h SER 142 N 1.09 1.01 -0.21 1.25 0.87 -1.05 -2.01 113.55 114.49 1nqv h SER 142 Ca 0.36 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.69 1nqv h SER 142 Cb 0.05 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1nqv h SER 142 CO -0.13 0.88 -0.12 0.00 -0.53 0.00 0.00 176.83 176.93 1nqv h ALA 143 N 1.16 1.16 0.04 6.23 0.00 -0.20 -0.22 119.26 127.43 1nqv h ALA 143 Ca 0.25 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nqv h ALA 143 Cb 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nqv h ALA 143 CO -0.03 0.53 -0.02 0.82 0.00 0.00 0.00 179.25 180.55 1nqv h ILE 144 N 0.55 0.95 -0.38 0.00 2.04 -0.73 -0.52 117.51 119.41 1nqv h ILE 144 Ca 0.10 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 1nqv h ILE 144 Cb 0.52 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1nqv h ILE 144 CO 0.03 0.00 0.22 -0.08 0.00 0.00 0.00 178.15 178.33 1nqv h GLU 145 N -0.06 0.53 -0.48 2.37 4.81 -1.07 -1.61 114.58 119.07 1nqv h GLU 145 Ca -0.00 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 1nqv h GLU 145 Cb 0.05 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1nqv h GLU 145 CO 0.00 0.41 -0.12 0.52 -0.73 0.00 0.00 179.01 179.09 1nqv h MET 146 N 0.50 0.93 -0.61 1.92 2.86 -0.90 0.97 114.93 120.60 1nqv h MET 146 Ca 0.14 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1nqv h MET 146 Cb 0.02 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1nqv h MET 146 CO -0.02 1.01 0.33 0.00 1.06 0.00 0.00 176.91 179.29 1nqv h ALA 147 N 0.89 0.78 -0.53 6.32 0.00 -0.98 0.23 119.26 125.97 1nqv h ALA 147 Ca 0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1nqv h ALA 147 Cb 0.67 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1nqv h ALA 147 CO 0.05 0.31 0.11 -0.91 0.00 0.00 0.00 179.25 178.81 1nqv h ASN 148 N 0.83 0.82 -0.65 0.00 2.35 -1.06 -2.52 115.58 115.34 1nqv h ASN 148 Ca 0.21 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1nqv h ASN 148 Cb 0.06 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 1nqv h ASN 148 CO -0.03 0.85 0.42 0.25 -1.65 0.00 0.00 177.43 177.27 1nqv h LEU 149 N 0.76 0.71 -1.94 1.61 5.85 -0.43 -2.45 115.31 119.41 1nqv h LEU 149 Ca 0.17 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1nqv h LEU 149 Cb 0.36 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1nqv h LEU 149 CO 0.01 0.50 -0.08 -0.26 -0.34 0.00 0.00 178.44 178.27 1nqv h PHE 150 N 0.84 0.00 -0.87 1.25 -1.00 -0.28 -0.76 116.94 116.13 1nqv h PHE 150 Ca 0.25 0.00 0.13 0.00 2.81 0.00 0.00 57.97 61.17 1nqv h PHE 150 Cb -0.04 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.45 1nqv h PHE 150 CO -0.04 0.08 0.56 0.87 -1.61 0.00 0.00 178.31 178.18 1nqv h LYS 151 N 0.00 0.66 0.00 1.51 1.57 -1.01 -1.59 116.57 117.71 1nqv h LYS 151 Ca -0.00 -0.04 -0.37 0.00 -1.87 0.00 0.00 60.65 58.37 1nqv h LYS 151 Cb 0.35 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 1nqv h LYS 151 CO 0.01 0.44 -2.39 -1.13 -0.57 0.00 0.00 179.45 175.81 1nqv n SER 152 N -4.54 0.75 0.06 0.86 3.41 -0.84 -4.67 113.62 108.65 1nqv n SER 152 Ca 0.16 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.62 1nqv n SER 152 Cb 0.45 0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 1nqv n SER 152 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1nqv h LEU 153 N 0.00 0.53 -0.36 1.04 5.85 -1.02 -3.53 115.31 117.82 1nqv h LEU 153 Ca -0.55 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 57.76 1nqv h LEU 153 Cb 2.12 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.99 1nqv h LEU 153 CO -0.01 1.20 0.00 -1.14 -0.34 0.00 0.00 178.44 178.15