#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 4.49 -0.11 2.12 -0.21 -1.26 -5.05 119.66 119.65 1nqv s GLN 2 Ca 0.00 1.07 0.01 0.00 0.02 0.00 0.00 55.36 56.47 1nqv s GLN 2 Cb 0.00 -3.42 0.02 0.00 1.00 0.00 0.00 33.01 30.61 1nqv s GLN 2 CO 0.00 0.12 -0.13 0.42 -2.12 0.00 0.00 175.29 173.58 1nqv s ILE 3 N 0.52 1.34 -0.09 1.08 1.01 -1.26 -5.12 121.20 118.69 1nqv s ILE 3 Ca 0.41 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.55 1nqv s ILE 3 Cb -0.20 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 1nqv s ILE 3 CO 0.22 0.41 -0.19 -0.31 0.00 0.00 0.00 174.94 175.07 1nqv s TYR 4 N 1.13 2.63 0.15 3.97 1.51 -1.26 -5.12 117.35 120.37 1nqv s TYR 4 Ca -0.04 -0.69 -0.14 0.00 -1.01 0.00 0.00 57.07 55.19 1nqv s TYR 4 Cb -0.14 -1.71 0.02 0.00 -0.11 0.00 0.00 41.96 40.01 1nqv s TYR 4 CO -0.03 -0.21 0.38 -1.83 -1.11 0.00 0.00 175.55 172.75 1nqv s GLU 5 N 0.05 1.16 -0.11 -0.62 -1.05 -1.26 -5.13 118.70 111.74 1nqv s GLU 5 Ca -0.08 -0.91 -0.02 0.00 -0.15 0.00 0.00 54.97 53.81 1nqv s GLU 5 Cb -0.15 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 1nqv s GLU 5 CO 0.05 -0.45 -0.02 0.20 0.95 0.00 0.00 175.26 176.00 1nqv s GLY 6 N -2.88 1.80 0.92 -3.83 0.00 -1.26 -4.48 107.32 97.60 1nqv s GLY 6 Ca 0.09 -0.82 -0.14 0.00 0.00 0.00 0.00 44.72 43.85 1nqv s GLY 6 CO -0.06 -0.40 1.23 -1.59 0.00 0.00 0.00 173.10 172.29 1nqv s LYS 7 N -0.43 1.02 -0.06 2.90 -2.85 -1.26 -4.85 119.74 114.21 1nqv s LYS 7 Ca 0.07 -0.11 0.13 0.00 -1.00 0.00 0.00 55.97 55.06 1nqv s LYS 7 Cb -0.12 -1.86 0.40 0.00 -2.06 0.00 0.00 37.83 34.19 1nqv s LYS 7 CO 0.02 -2.20 1.33 1.28 0.10 0.00 0.00 175.35 175.88 1nqv n LEU 8 N -3.69 3.33 -4.78 2.77 4.77 -1.26 -4.09 117.00 114.05 1nqv n LEU 8 Ca 0.11 -2.33 -0.38 0.00 -0.03 0.00 0.00 56.01 53.38 1nqv n LEU 8 Cb 0.60 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1nqv n LEU 8 CO 0.51 0.72 0.22 0.42 -1.33 0.00 0.00 177.39 177.93 1nqv s THR 9 N -1.59 4.94 -0.67 -5.08 -4.23 -1.26 -4.85 115.64 102.89 1nqv s THR 9 Ca 0.31 1.09 0.14 0.00 -1.18 0.00 0.00 61.69 62.05 1nqv s THR 9 Cb 0.20 -3.85 0.46 0.00 1.34 0.00 0.00 72.50 70.65 1nqv s THR 9 CO 0.14 0.47 1.38 0.00 -0.54 0.00 0.00 174.62 176.08 1nqv n ALA 10 N 2.43 2.65 -1.65 3.99 0.00 0.10 -4.99 120.51 123.05 1nqv n ALA 10 Ca -0.09 -1.67 -0.50 0.00 0.00 0.00 0.00 53.44 51.17 1nqv n ALA 10 Cb 0.51 -0.64 -0.05 0.00 0.00 0.00 0.00 19.45 19.27 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 0.23 1.67 -0.61 0.00 2.13 -1.24 -1.31 120.64 121.50 1nqv n GLU 11 Ca 0.18 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.60 1nqv n GLU 11 Cb 0.69 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 30.06 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 3.40 1.61 3.81 8.31 0.00 -1.26 -4.99 105.19 116.07 1nqv n GLY 12 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 4.23 -0.14 0.99 1.43 -0.43 -5.05 118.68 119.71 1nqv s LEU 13 Ca 0.00 1.56 0.02 0.00 -1.03 0.00 0.00 54.13 54.69 1nqv s LEU 13 Cb 0.00 -3.96 0.01 0.00 0.03 0.00 0.00 46.19 42.27 1nqv s LEU 13 CO 0.00 -0.10 -0.20 -0.13 0.23 0.00 0.00 176.35 176.14 1nqv s ARG 14 N -2.37 2.83 0.05 1.70 0.52 -1.26 -4.60 118.95 115.81 1nqv s ARG 14 Ca 0.50 -0.78 0.09 0.00 -0.52 0.00 0.00 55.73 55.02 1nqv s ARG 14 Cb -0.15 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.98 1nqv s ARG 14 CO 0.20 -0.04 -0.25 -0.06 0.02 0.00 0.00 175.30 175.17 1nqv s PHE 15 N 0.89 2.37 -0.14 -0.53 0.40 -0.53 -0.45 117.98 119.99 1nqv s PHE 15 Ca -0.06 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 55.83 1nqv s PHE 15 Cb -0.15 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1nqv s PHE 15 CO -0.03 0.15 0.08 0.20 0.70 0.00 0.00 175.22 176.32 1nqv s GLY 16 N -1.29 1.98 -0.12 4.36 0.00 -0.35 -0.36 107.32 111.55 1nqv s GLY 16 Ca 0.12 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.14 1nqv s GLY 16 CO 0.03 -0.24 -0.19 -0.42 0.00 0.00 0.00 173.10 172.28 1nqv s ILE 17 N -0.40 1.76 -0.22 0.90 1.01 0.52 -0.07 121.20 124.70 1nqv s ILE 17 Ca 0.10 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 1nqv s ILE 17 Cb -0.12 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1nqv s ILE 17 CO 0.02 0.49 -0.05 -0.69 0.00 0.00 0.00 174.94 174.71 1nqv s VAL 18 N 0.82 3.32 -0.07 2.92 1.01 -0.32 -0.67 120.40 127.41 1nqv s VAL 18 Ca -0.09 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1nqv s VAL 18 Cb -0.16 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.72 1nqv s VAL 18 CO 0.00 0.41 -0.13 0.00 0.00 0.00 0.00 175.10 175.38 1nqv s ALA 19 N 1.47 1.36 0.45 5.51 0.00 0.03 -0.45 121.76 130.12 1nqv s ALA 19 Ca 0.06 -0.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.44 1nqv s ALA 19 Cb -0.14 -0.61 -0.06 0.00 0.00 0.00 0.00 23.12 22.31 1nqv s ALA 19 CO -0.04 0.11 0.82 -1.54 0.00 0.00 0.00 175.76 175.11 1nqv s SER 20 N 0.68 6.46 0.05 0.00 1.04 -0.80 -2.01 113.70 119.11 1nqv s SER 20 Ca -0.14 1.17 0.19 0.00 0.48 0.00 0.00 55.95 57.64 1nqv s SER 20 Cb -0.16 -2.34 -0.15 0.00 0.10 0.00 0.00 66.02 63.47 1nqv s SER 20 CO 0.04 -0.50 0.75 0.54 0.98 0.00 0.00 173.24 175.05 1nqv n ARG 21 N -1.65 0.63 -1.70 4.02 1.74 0.03 -4.76 116.66 114.97 1nqv n ARG 21 Ca 0.03 0.13 -0.43 0.00 -0.77 0.00 0.00 57.85 56.80 1nqv n ARG 21 Cb 0.54 -1.75 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.75 2.45 -3.72 -1.55 7.35 -0.44 -1.13 117.46 117.67 1nqv n PHE 22 Ca -0.09 0.38 -0.26 0.00 -0.76 0.00 0.00 57.45 56.72 1nqv n PHE 22 Cb 0.78 -2.51 0.06 0.00 0.35 0.00 0.00 39.48 38.16 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 1.98 -5.17 0.29 -2.13 3.02 -1.26 -4.49 115.26 107.50 1nqv n ASN 23 Ca 0.10 -0.66 0.15 0.00 -0.03 0.00 0.00 54.58 54.14 1nqv n ASN 23 Cb 0.34 -4.52 0.88 0.00 -0.61 0.00 0.00 39.78 35.88 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 -2.36 0.00 0.00 3.10 2.07 -1.42 -0.75 115.15 115.79 1nqv h HIS 24 Ca -0.58 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 56.91 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 0.04 -0.14 0.00 -3.07 0.00 0.00 177.93 175.28 1nqv h ALA 25 N 1.96 1.25 0.03 6.11 0.00 -1.90 0.20 119.26 126.91 1nqv h ALA 25 Ca -0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.44 1nqv h ALA 25 Cb 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1nqv h ALA 25 CO 0.01 0.17 -1.92 1.28 0.00 0.00 0.00 179.25 178.79 1nqv n LEU 26 N -3.62 2.20 -0.31 0.00 4.77 -0.38 -4.24 117.00 115.43 1nqv n LEU 26 Ca -0.02 0.28 0.07 0.00 -0.03 0.00 0.00 56.01 56.31 1nqv n LEU 26 Cb 0.27 -0.95 0.22 0.00 -2.33 0.00 0.00 43.42 40.62 1nqv n LEU 26 CO 0.31 0.57 1.14 0.58 -1.33 0.00 0.00 177.39 178.66 1nqv h VAL 27 N -0.64 0.81 -0.42 4.08 2.07 -1.14 -1.08 116.25 119.92 1nqv h VAL 27 Ca -0.49 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 66.83 1nqv h VAL 27 Cb 1.62 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1nqv h VAL 27 CO -0.19 0.14 0.29 0.44 0.02 0.00 0.00 177.57 178.26 1nqv h ASP 28 N 0.75 0.29 -0.20 0.57 3.32 -0.81 -0.20 116.42 120.14 1nqv h ASP 28 Ca 0.46 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.34 1nqv h ASP 28 Cb 0.57 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1nqv h ASP 28 CO -0.32 0.19 -0.52 0.03 -1.72 0.00 0.00 179.24 176.90 1nqv h ARG 29 N 0.33 0.78 -0.76 3.56 2.47 -1.38 -2.41 114.38 116.97 1nqv h ARG 29 Ca 0.19 -0.48 -0.01 0.00 -1.26 0.00 0.00 59.98 58.41 1nqv h ARG 29 Cb 0.32 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.65 1nqv h ARG 29 CO -0.04 1.11 0.42 -0.07 0.56 0.00 0.00 179.97 181.95 1nqv h LEU 30 N 0.61 0.95 -0.55 3.04 3.38 -0.86 -1.65 115.31 120.22 1nqv h LEU 30 Ca 0.02 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1nqv h LEU 30 Cb 1.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1nqv h LEU 30 CO 0.11 0.77 0.11 0.58 0.09 0.00 0.00 178.44 180.10 1nqv h VAL 31 N 1.05 1.25 -0.58 1.22 2.07 -1.07 -1.01 116.25 119.18 1nqv h VAL 31 Ca 0.27 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1nqv h VAL 31 Cb 0.02 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1nqv h VAL 31 CO -0.04 0.34 0.28 -0.33 0.02 0.00 0.00 177.57 177.83 1nqv h GLU 32 N 0.79 0.51 -0.62 1.57 5.08 -1.24 -1.23 114.58 119.45 1nqv h GLU 32 Ca 0.17 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1nqv h GLU 32 Cb 0.38 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1nqv h GLU 32 CO 0.01 0.34 0.05 0.78 -1.00 0.00 0.00 179.01 179.18 1nqv h GLY 33 N 0.52 1.13 0.94 -3.84 0.00 -0.93 -1.18 103.07 99.72 1nqv h GLY 33 Ca 0.27 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1nqv h GLY 33 CO -0.21 0.74 0.11 0.00 0.00 0.00 0.00 176.54 177.18 1nqv h ALA 34 N 1.01 0.55 -0.37 3.60 0.00 -0.81 -1.11 119.26 122.13 1nqv h ALA 34 Ca 0.18 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1nqv h ALA 34 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1nqv h ALA 34 CO 0.02 0.23 -0.07 0.82 0.00 0.00 0.00 179.25 180.25 1nqv h ILE 35 N 0.54 1.27 -0.53 0.00 2.04 -1.11 -1.76 117.51 117.96 1nqv h ILE 35 Ca 0.13 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.88 1nqv h ILE 35 Cb 0.30 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1nqv h ILE 35 CO -0.00 0.37 0.34 -0.78 0.00 0.00 0.00 178.15 178.08 1nqv h ASP 36 N 0.51 0.58 -0.23 1.72 3.58 -1.11 -0.50 116.42 120.97 1nqv h ASP 36 Ca 0.10 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1nqv h ASP 36 Cb 0.57 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1nqv h ASP 36 CO 0.03 0.41 0.15 0.00 -2.88 0.00 0.00 179.24 176.95 1nqv h ILE 38 N 0.30 0.72 -0.37 0.00 2.04 -0.87 -2.10 117.51 117.22 1nqv h ILE 38 Ca 0.09 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 1nqv h ILE 38 Cb -0.03 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1nqv h ILE 38 CO -0.03 0.00 0.10 0.58 0.00 0.00 0.00 178.15 178.80 1nqv h VAL 39 N -0.37 1.22 0.00 1.67 2.07 -0.92 -0.87 116.25 119.05 1nqv h VAL 39 Ca -0.03 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1nqv h VAL 39 Cb 0.29 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1nqv h VAL 39 CO 0.05 0.26 0.00 0.54 0.02 0.00 0.00 177.57 178.44 1nqv n ARG 40 N -4.60 0.04 -0.08 1.57 1.74 -0.11 -1.64 116.66 113.58 1nqv n ARG 40 Ca -0.01 0.08 0.09 0.00 -0.77 0.00 0.00 57.85 57.24 1nqv n ARG 40 Cb 0.19 -1.55 0.34 0.00 -1.02 0.00 0.00 32.46 30.43 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 -1.61 0.21 0.00 -1.55 8.25 -0.79 -4.93 115.22 114.80 1nqv n HIS 41 Ca 0.06 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1nqv n HIS 41 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 1.02 0.45 3.80 -1.41 0.00 -0.65 0.01 105.19 108.41 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 -1.11 2.41 0.16 -0.02 0.00 -0.36 -3.65 107.32 104.73 1nqv s GLY 43 Ca 0.00 0.52 -0.15 0.00 0.00 0.00 0.00 44.72 45.09 1nqv s GLY 43 CO 0.00 0.83 0.56 0.50 0.00 0.00 0.00 173.10 174.99 1nqv s ARG 44 N -3.40 4.00 0.42 2.90 0.52 -1.26 -4.08 118.95 118.04 1nqv s ARG 44 Ca 0.65 0.52 0.17 0.00 -0.52 0.00 0.00 55.73 56.55 1nqv s ARG 44 Cb -0.15 -2.91 0.92 0.00 0.52 0.00 0.00 34.95 33.33 1nqv s ARG 44 CO 0.22 0.46 1.89 1.05 0.02 0.00 0.00 175.30 178.95 1nqv h GLU 45 N 3.50 0.00 0.00 3.54 -0.00 -1.95 -1.90 114.58 117.77 1nqv h GLU 45 Ca -0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 58.86 1nqv h GLU 45 Cb 1.19 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.94 1nqv h GLU 45 CO 0.66 0.29 -0.10 0.93 -0.00 0.00 0.00 179.01 180.79 1nqv h GLU 46 N 0.00 0.00 -0.29 1.06 3.07 -2.00 -1.92 114.58 114.50 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 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1nqv h GLU 46 CO 0.04 0.10 0.00 -0.25 -1.40 0.00 0.00 179.01 177.49 1nqv n ASP 47 N -3.53 1.83 -4.76 1.42 8.00 -0.71 -4.81 116.55 113.99 1nqv n ASP 47 Ca -0.02 -1.89 -0.36 0.00 0.71 0.00 0.00 54.79 53.24 1nqv n ASP 47 Cb 0.23 -0.19 -0.07 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.62 5.40 -0.20 0.53 1.01 -0.73 -1.46 121.20 124.13 1nqv s ILE 48 Ca 0.27 0.27 -0.03 0.00 0.00 0.00 0.00 60.65 61.16 1nqv s ILE 48 Cb 0.14 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 1nqv s ILE 48 CO 0.20 0.46 -0.05 -0.89 0.00 0.00 0.00 174.94 174.66 1nqv s THR 49 N 0.12 3.39 -0.20 2.92 2.01 0.51 -4.98 115.64 119.41 1nqv s THR 49 Ca 0.11 -0.50 -0.06 0.00 0.31 0.00 0.00 61.69 61.55 1nqv s THR 49 Cb -0.12 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 1nqv s THR 49 CO 0.00 0.44 0.02 -0.22 -0.69 0.00 0.00 174.62 174.18 1nqv s LEU 50 N 1.21 3.40 -0.15 4.42 2.96 -1.26 -0.35 118.68 128.91 1nqv s LEU 50 Ca 0.03 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1nqv s LEU 50 Cb -0.14 -1.87 -0.00 0.00 0.50 0.00 0.00 46.19 44.68 1nqv s LEU 50 CO -0.01 0.08 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.24 1nqv s VAL 51 N 0.94 2.61 -0.08 1.68 1.01 0.16 -4.97 120.40 121.73 1nqv s VAL 51 Ca 0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1nqv s VAL 51 Cb -0.14 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1nqv s VAL 51 CO 0.02 0.52 0.10 -0.13 0.00 0.00 0.00 175.10 175.62 1nqv s ARG 52 N 0.72 3.28 0.12 2.72 0.52 -1.26 -0.79 118.95 124.25 1nqv s ARG 52 Ca -0.07 -0.27 0.02 0.00 -0.52 0.00 0.00 55.73 54.89 1nqv s ARG 52 Cb -0.16 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 1nqv s ARG 52 CO 0.01 0.73 -0.04 0.14 0.02 0.00 0.00 175.30 176.16 1nqv s VAL 53 N -1.05 0.66 0.08 3.52 -7.23 -0.85 -4.95 120.40 110.58 1nqv s VAL 53 Ca 0.17 -1.95 -0.28 0.00 -1.81 0.00 0.00 61.98 58.11 1nqv s VAL 53 Cb -0.12 -1.82 -0.16 0.00 0.56 0.00 0.00 36.38 34.84 1nqv s VAL 53 CO 0.07 -0.74 1.67 -0.65 -0.31 0.00 0.00 175.10 175.13 1nqv h PRO 54 N 2.89 -0.48 -4.32 4.82 0.11 -1.94 0.13 132.00 133.21 1nqv h PRO 54 Ca -0.36 0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.53 1nqv h PRO 54 Cb 1.18 0.11 -0.11 0.00 0.11 0.00 0.00 31.00 32.28 1nqv h PRO 54 CO 0.64 -0.32 -0.37 0.20 -0.21 0.00 0.00 178.00 177.94 1nqv s GLY 55 N -2.16 1.44 0.46 -0.55 0.00 -1.26 -1.32 107.32 103.92 1nqv s GLY 55 Ca -0.16 -1.55 0.14 0.00 0.00 0.00 0.00 44.72 43.15 1nqv s GLY 55 CO 0.64 -1.14 2.04 1.76 0.00 0.00 0.00 173.10 176.40 1nqv h SER 56 N 2.30 0.27 -0.88 1.64 0.02 -1.91 -0.91 113.55 114.09 1nqv h SER 56 Ca -0.30 -0.00 0.14 0.00 -0.84 0.00 0.00 61.79 60.80 1nqv h SER 56 Cb 1.24 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.66 1nqv h SER 56 CO 0.42 0.18 0.57 -0.25 -1.14 0.00 0.00 176.83 176.61 1nqv h TRP 57 N 0.31 0.80 -0.01 3.45 2.91 -1.95 -1.33 115.95 120.13 1nqv h TRP 57 Ca 0.18 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.22 1nqv h TRP 57 Cb 0.32 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 28.71 1nqv h TRP 57 CO -0.00 0.30 -0.11 0.39 -1.03 0.00 0.00 178.44 177.99 1nqv n GLU 58 N -4.55 1.15 -0.05 2.65 4.71 -0.35 -4.27 120.64 119.93 1nqv n GLU 58 Ca 0.17 -0.59 -0.11 0.00 -0.01 0.00 0.00 57.16 56.62 1nqv n GLU 58 Cb 0.47 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.36 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 1.45 1.13 -0.19 -3.67 2.04 -1.21 -3.15 117.51 113.91 1nqv h ILE 59 Ca 0.00 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.52 1nqv h ILE 59 Cb 0.44 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1nqv h ILE 59 CO 0.00 0.13 -0.06 -0.65 0.00 0.00 0.00 178.15 177.57 1nqv h PRO 60 N 0.18 -0.02 -0.86 2.37 0.11 -1.76 -0.16 132.00 131.85 1nqv h PRO 60 Ca 0.07 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 1nqv h PRO 60 Cb 0.12 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.19 1nqv h PRO 60 CO -0.01 -0.02 0.52 -0.24 -0.21 0.00 0.00 178.00 178.04 1nqv h VAL 61 N -0.02 1.24 -0.44 3.15 3.04 -1.85 0.12 116.25 121.49 1nqv h VAL 61 Ca 0.10 -0.52 -0.11 0.00 -1.01 0.00 0.00 66.70 65.17 1nqv h VAL 61 Cb 0.17 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.46 1nqv h VAL 61 CO -0.21 0.25 -0.14 0.00 -1.01 0.00 0.00 177.57 176.46 1nqv h ALA 62 N 1.39 0.60 -0.31 3.17 0.00 -1.44 -2.99 119.26 119.68 1nqv h ALA 62 Ca 0.31 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1nqv h ALA 62 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1nqv h ALA 62 CO -0.06 0.52 0.09 0.00 0.00 0.00 0.00 179.25 179.80 1nqv h ALA 63 N 0.85 1.59 -0.89 0.00 0.00 -0.01 -1.32 119.26 119.48 1nqv h ALA 63 Ca 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1nqv h ALA 63 Cb 0.69 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1nqv h ALA 63 CO 0.05 0.32 0.52 0.78 0.00 0.00 0.00 179.25 180.91 1nqv h GLY 64 N 0.64 1.31 1.05 0.00 0.00 -0.68 0.98 103.07 106.36 1nqv h GLY 64 Ca 0.11 -0.56 -0.16 0.00 0.00 0.00 0.00 47.33 46.72 1nqv h GLY 64 CO -0.01 0.54 -0.44 0.83 0.00 0.00 0.00 176.54 177.46 1nqv h GLU 65 N 1.23 0.77 -0.34 4.80 4.39 -1.14 -2.85 114.58 121.45 1nqv h GLU 65 Ca 0.32 -0.47 -0.11 0.00 0.34 0.00 0.00 59.36 59.43 1nqv h GLU 65 Cb -0.02 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1nqv h GLU 65 CO -0.06 1.10 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.62 1nqv h LEU 66 N 0.52 0.77 -1.76 1.33 3.38 -1.13 -3.04 115.31 115.38 1nqv h LEU 66 Ca 0.02 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1nqv h LEU 66 Cb 1.04 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1nqv h LEU 66 CO 0.10 1.03 -0.14 0.00 0.09 0.00 0.00 178.44 179.53 1nqv h ALA 67 N 0.77 1.21 0.00 1.53 0.00 -0.85 -1.83 119.26 120.09 1nqv h ALA 67 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nqv h ALA 67 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1nqv h ALA 67 CO 0.06 0.17 0.00 0.54 0.00 0.00 0.00 179.25 180.02 1nqv n ARG 68 N -3.55 0.22 -2.29 0.00 1.74 -1.08 -4.77 116.66 106.93 1nqv n ARG 68 Ca -0.01 0.32 -0.42 0.00 -0.77 0.00 0.00 57.85 56.96 1nqv n ARG 68 Cb 0.28 -1.83 -0.03 0.00 -1.02 0.00 0.00 32.46 29.86 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 -3.21 4.36 0.48 5.56 1.02 -0.69 -4.91 119.74 122.35 1nqv s LYS 69 Ca 0.07 1.92 0.23 0.00 0.02 0.00 0.00 55.97 58.21 1nqv s LYS 69 Cb 0.11 -3.36 1.21 0.00 -0.52 0.00 0.00 37.83 35.27 1nqv s LYS 69 CO 0.49 -0.39 1.99 1.49 -0.92 0.00 0.00 175.35 178.01 1nqv h GLU 70 N 7.02 0.00 -0.70 1.68 4.81 -1.88 -2.22 114.58 123.29 1nqv h GLU 70 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1nqv h GLU 70 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1nqv h GLU 70 CO 0.85 0.18 0.00 -0.40 -0.73 0.00 0.00 179.01 178.91 1nqv n ASP 71 N -3.77 4.21 -4.33 1.04 5.75 -1.26 -4.78 116.55 113.41 1nqv n ASP 71 Ca -0.02 -2.61 -0.35 0.00 -0.01 0.00 0.00 54.79 51.81 1nqv n ASP 71 Cb 0.29 -0.61 -0.14 0.00 -1.03 0.00 0.00 41.12 39.63 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 -2.17 3.41 0.05 2.12 -1.09 -0.84 -4.77 121.20 117.92 1nqv s ILE 72 Ca 0.38 -0.49 0.08 0.00 -2.23 0.00 0.00 60.65 58.40 1nqv s ILE 72 Cb 0.28 -2.54 -0.22 0.00 -1.58 0.00 0.00 42.46 38.40 1nqv s ILE 72 CO 0.12 0.43 1.03 0.44 -1.23 0.00 0.00 174.94 175.73 1nqv h ASP 73 N 7.90 0.03 -4.94 3.58 3.32 -1.06 -3.47 116.42 121.78 1nqv h ASP 73 Ca -0.39 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 1nqv h ASP 73 Cb 1.17 -0.01 -0.17 0.00 0.22 0.00 0.00 39.33 40.53 1nqv h ASP 73 CO 0.60 1.03 0.22 0.00 -1.72 0.00 0.00 179.24 179.38 1nqv s ALA 74 N -2.66 -1.74 -0.06 3.45 0.00 -1.23 -4.47 121.76 115.05 1nqv s ALA 74 Ca -0.02 1.12 0.04 0.00 0.00 0.00 0.00 51.96 53.11 1nqv s ALA 74 Cb 0.09 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 1nqv s ALA 74 CO 0.82 -0.47 -0.18 0.08 0.00 0.00 0.00 175.76 176.01 1nqv s VAL 75 N -1.86 2.67 -0.21 0.00 1.01 -0.67 -1.21 120.40 120.13 1nqv s VAL 75 Ca -0.07 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 1nqv s VAL 75 Cb -0.00 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1nqv s VAL 75 CO 0.03 0.57 -0.06 -0.63 0.00 0.00 0.00 175.10 175.01 1nqv s ILE 76 N -0.41 3.21 -0.21 2.22 1.01 0.90 -0.43 121.20 127.49 1nqv s ILE 76 Ca 0.04 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 60.01 1nqv s ILE 76 Cb -0.12 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1nqv s ILE 76 CO 0.02 0.44 0.29 0.00 0.00 0.00 0.00 174.94 175.69 1nqv s ALA 77 N 1.43 3.58 -0.08 9.38 0.00 -0.56 -1.17 121.76 134.33 1nqv s ALA 77 Ca 0.05 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.36 1nqv s ALA 77 Cb -0.14 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.51 1nqv s ALA 77 CO -0.04 -0.22 -0.10 0.42 0.00 0.00 0.00 175.76 175.82 1nqv s ILE 78 N 1.14 1.03 0.18 0.00 1.01 0.40 0.09 121.20 125.05 1nqv s ILE 78 Ca 0.14 -0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.18 1nqv s ILE 78 Cb -0.14 -1.00 0.06 0.00 0.01 0.00 0.00 42.46 41.39 1nqv s ILE 78 CO 0.06 0.35 0.91 -0.83 0.00 0.00 0.00 174.94 175.43 1nqv s GLY 79 N 1.13 -0.21 -0.12 6.18 0.00 -1.15 -1.91 107.32 111.24 1nqv s GLY 79 Ca -0.06 0.05 -0.02 0.00 0.00 0.00 0.00 44.72 44.69 1nqv s GLY 79 CO -0.02 -0.01 0.01 0.14 0.00 0.00 0.00 173.10 173.23 1nqv s VAL 80 N -3.42 0.44 -0.17 1.40 1.01 -1.26 -1.05 120.40 117.35 1nqv s VAL 80 Ca 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1nqv s VAL 80 Cb -0.02 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1nqv s VAL 80 CO 0.03 0.08 -0.05 -0.76 0.00 0.00 0.00 175.10 174.40 1nqv s LEU 81 N 1.93 3.08 -0.07 3.92 1.43 -0.14 -4.69 118.68 124.13 1nqv s LEU 81 Ca 0.03 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 1nqv s LEU 81 Cb -0.14 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1nqv s LEU 81 CO -0.06 0.11 -0.19 -0.63 0.23 0.00 0.00 176.35 175.80 1nqv s ILE 82 N 0.71 1.65 0.22 -0.59 1.01 -1.26 -0.36 121.20 122.59 1nqv s ILE 82 Ca -0.02 -0.81 -0.31 0.00 0.00 0.00 0.00 60.65 59.51 1nqv s ILE 82 Cb -0.15 -1.44 -0.11 0.00 0.01 0.00 0.00 42.46 40.78 1nqv s ILE 82 CO 0.02 0.47 1.60 -0.60 0.00 0.00 0.00 174.94 176.43 1nqv s ARG 83 N 0.28 4.18 0.00 2.79 3.52 -0.03 -4.93 118.95 124.75 1nqv s ARG 83 Ca -0.12 2.47 0.00 0.00 -0.13 0.00 0.00 55.73 57.95 1nqv s ARG 83 Cb -0.15 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1nqv s ARG 83 CO 0.05 -0.62 0.00 0.41 -0.81 0.00 0.00 175.30 174.33 1nqv n GLY 84 N 3.19 1.55 0.19 8.12 0.00 -1.26 -4.86 105.19 112.12 1nqv n GLY 84 Ca 0.12 -1.95 0.09 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.15 0.88 -1.36 4.61 0.00 -2.01 -3.46 119.26 116.77 1nqv h ALA 85 Ca 0.00 -0.18 -0.56 0.00 0.00 0.00 0.00 54.91 54.17 1nqv h ALA 85 Cb 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1nqv h ALA 85 CO 0.00 0.25 -0.45 0.95 0.00 0.00 0.00 179.25 180.01 1nqv s THR 86 N -3.19 2.21 -2.00 0.00 -4.23 -1.26 -5.01 115.64 102.17 1nqv s THR 86 Ca 0.05 -1.61 0.06 0.00 -1.18 0.00 0.00 61.69 59.01 1nqv s THR 86 Cb 0.07 -2.83 0.17 0.00 1.34 0.00 0.00 72.50 71.25 1nqv s THR 86 CO 0.69 0.00 1.00 -0.81 -0.54 0.00 0.00 174.62 174.95 1nqv n PRO 87 N -1.38 0.74 -0.31 3.99 -0.04 -1.26 -3.96 135.00 132.77 1nqv n PRO 87 Ca -0.01 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.50 1nqv n PRO 87 Cb 0.64 -1.13 0.14 0.00 -0.04 0.00 0.00 33.50 33.12 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 -0.37 -0.45 0.54 2.76 -1.95 -0.54 115.15 115.14 1nqv h HIS 88 Ca 0.00 0.08 0.09 0.00 -2.20 0.00 0.00 60.37 58.34 1nqv h HIS 88 Cb 0.00 0.30 -0.08 0.00 1.55 0.00 0.00 27.41 29.18 1nqv h HIS 88 CO 0.00 -0.37 -0.08 0.35 -1.30 0.00 0.00 177.93 176.53 1nqv h PHE 89 N 0.01 -0.17 -0.46 5.26 3.57 -1.92 -2.10 116.94 121.13 1nqv h PHE 89 Ca 0.45 0.04 0.05 0.00 3.53 0.00 0.00 57.97 62.03 1nqv h PHE 89 Cb 0.73 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 1nqv h PHE 89 CO -0.64 -0.17 0.20 -0.44 -2.23 0.00 0.00 178.31 175.04 1nqv h ASP 90 N 0.03 0.26 -0.22 0.41 5.19 -1.40 0.24 116.42 120.92 1nqv h ASP 90 Ca 0.22 0.04 -0.15 0.00 -0.62 0.00 0.00 57.03 56.52 1nqv h ASP 90 Cb 0.34 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1nqv h ASP 90 CO -0.44 0.18 -0.41 1.88 -3.12 0.00 0.00 179.24 177.34 1nqv h TYR 91 N 0.40 0.92 -0.12 4.55 0.05 -1.11 -0.71 116.97 120.95 1nqv h TYR 91 Ca 0.21 -0.28 -0.10 0.00 0.05 0.00 0.00 58.73 58.61 1nqv h TYR 91 Cb 0.16 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.71 1nqv h TYR 91 CO -0.13 1.05 -0.31 0.82 -1.05 0.00 0.00 178.16 178.54 1nqv h ILE 92 N 0.62 1.38 -0.72 -2.88 2.04 -1.13 -1.79 117.51 115.03 1nqv h ILE 92 Ca 0.05 -1.61 0.04 0.00 1.00 0.00 0.00 64.86 64.33 1nqv h ILE 92 Cb 0.96 2.10 -0.05 0.00 -0.74 0.00 0.00 36.82 39.10 1nqv h ILE 92 CO 0.09 0.48 0.45 0.00 0.00 0.00 0.00 178.15 179.16 1nqv h ALA 93 N 0.51 0.95 -0.31 1.87 0.00 -0.50 0.05 119.26 121.84 1nqv h ALA 93 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1nqv h ALA 93 Cb 0.92 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1nqv h ALA 93 CO 0.07 0.21 0.09 0.77 0.00 0.00 0.00 179.25 180.39 1nqv h SER 94 N 0.86 0.45 0.29 0.00 0.02 -1.09 -2.30 113.55 111.78 1nqv h SER 94 Ca 0.30 -0.21 -0.20 0.00 -0.84 0.00 0.00 61.79 60.84 1nqv h SER 94 Cb 0.05 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1nqv h SER 94 CO -0.12 0.54 -0.82 -0.33 -1.14 0.00 0.00 176.83 174.96 1nqv h GLU 95 N 0.34 0.41 -0.26 3.45 4.39 -0.96 -1.74 114.58 120.20 1nqv h GLU 95 Ca 0.10 -0.38 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 1nqv h GLU 95 Cb 0.25 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1nqv h GLU 95 CO -0.00 1.03 0.09 -0.24 -1.16 0.00 0.00 179.01 178.72 1nqv h VAL 96 N 0.26 1.19 -0.50 3.13 3.04 -0.94 -1.14 116.25 121.28 1nqv h VAL 96 Ca -0.05 -0.60 -0.07 0.00 -1.01 0.00 0.00 66.70 64.96 1nqv h VAL 96 Cb 1.42 1.10 -0.02 0.00 -2.01 0.00 0.00 31.29 31.78 1nqv h VAL 96 CO 0.14 0.20 0.02 0.77 -1.01 0.00 0.00 177.57 177.69 1nqv h SER 97 N 0.26 0.85 -0.44 3.17 4.64 -1.44 -1.75 113.55 118.85 1nqv h SER 97 Ca 0.08 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 61.07 1nqv h SER 97 Cb 0.22 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1nqv h SER 97 CO -0.00 0.94 0.10 0.50 -0.87 0.00 0.00 176.83 177.50 1nqv h LYS 98 N 0.74 0.70 -0.21 4.77 3.64 -1.26 -1.82 116.57 123.13 1nqv h LYS 98 Ca 0.15 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1nqv h LYS 98 Cb 0.49 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1nqv h LYS 98 CO 0.02 0.71 0.12 0.78 -2.27 0.00 0.00 179.45 178.81 1nqv h GLY 99 N 0.57 0.31 0.91 5.01 0.00 -1.08 0.39 103.07 109.18 1nqv h GLY 99 Ca 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.35 1nqv h GLY 99 CO 0.00 0.13 0.15 1.41 0.00 0.00 0.00 176.54 178.23 1nqv h LEU 100 N 0.24 0.23 -0.50 3.11 3.38 -1.30 0.89 115.31 121.37 1nqv h LEU 100 Ca 0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1nqv h LEU 100 Cb 0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1nqv h LEU 100 CO -0.01 0.17 0.20 0.00 0.09 0.00 0.00 178.44 178.89 1nqv h ALA 101 N 1.13 0.65 -0.57 1.53 0.00 -1.07 -1.54 119.26 119.38 1nqv h ALA 101 Ca 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nqv h ALA 101 Cb 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1nqv h ALA 101 CO -0.06 0.25 0.34 -0.91 0.00 0.00 0.00 179.25 178.87 1nqv h ASN 102 N 0.67 0.70 -0.78 0.00 -0.26 -0.73 -2.55 115.58 112.62 1nqv h ASN 102 Ca 0.17 -0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1nqv h ASN 102 Cb 0.19 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.24 1nqv h ASN 102 CO -0.01 0.56 0.48 -0.07 -1.06 0.00 0.00 177.43 177.33 1nqv h LEU 103 N 0.77 0.93 -0.73 1.61 3.38 -0.56 -0.52 115.31 120.18 1nqv h LEU 103 Ca 0.20 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1nqv h LEU 103 Cb -0.00 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1nqv h LEU 103 CO -0.04 0.71 0.47 -1.28 0.09 0.00 0.00 178.44 178.39 1nqv h SER 104 N 1.06 0.80 -0.16 -0.43 0.87 -0.90 0.11 113.55 114.90 1nqv h SER 104 Ca 0.28 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.67 1nqv h SER 104 Cb -0.06 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.72 1nqv h SER 104 CO -0.05 0.56 -0.51 -0.07 -0.53 0.00 0.00 176.83 176.23 1nqv h LEU 105 N 0.94 0.73 -0.74 2.23 3.38 -1.19 0.13 115.31 120.79 1nqv h LEU 105 Ca 0.28 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1nqv h LEU 105 Cb -0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1nqv h LEU 105 CO -0.09 1.20 0.26 -0.08 0.09 0.00 0.00 178.44 179.82 1nqv h GLU 106 N 0.30 1.13 -0.04 1.13 4.81 -0.78 -2.83 114.58 118.30 1nqv h GLU 106 Ca -0.02 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1nqv h GLU 106 Cb 1.13 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1nqv h GLU 106 CO 0.11 0.95 0.00 1.28 -0.73 0.00 0.00 179.01 180.62 1nqv n LEU 107 N -4.29 2.14 -3.92 1.64 4.77 0.37 -4.95 117.00 112.76 1nqv n LEU 107 Ca 0.06 -0.73 -0.28 0.00 -0.03 0.00 0.00 56.01 55.03 1nqv n LEU 107 Cb 0.21 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1nqv n LEU 107 CO 0.41 0.37 -0.21 0.54 -1.33 0.00 0.00 177.39 177.17 1nqv n ARG 108 N 0.67 -2.72 -3.79 3.23 1.74 0.38 -4.97 116.66 111.20 1nqv n ARG 108 Ca 0.17 0.39 -0.13 0.00 -0.77 0.00 0.00 57.85 57.51 1nqv n ARG 108 Cb 0.45 -4.34 -0.12 0.00 -1.02 0.00 0.00 32.46 27.44 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 -6.51 0.28 0.20 5.56 2.20 -0.83 -5.05 119.74 115.59 1nqv s LYS 109 Ca 0.11 0.34 -0.31 0.00 -0.36 0.00 0.00 55.97 55.76 1nqv s LYS 109 Cb -0.04 0.12 -0.10 0.00 -1.51 0.00 0.00 37.83 36.30 1nqv s LYS 109 CO 0.89 -0.04 1.51 -2.14 -0.36 0.00 0.00 175.35 175.21 1nqv s PRO 110 N 0.18 4.24 -0.14 4.03 0.02 -1.26 -4.48 135.00 137.59 1nqv s PRO 110 Ca -0.00 2.33 -0.01 0.00 0.02 0.00 0.00 61.00 63.34 1nqv s PRO 110 Cb -0.02 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.40 1nqv s PRO 110 CO -0.00 -0.53 -0.05 0.42 -0.33 0.00 0.00 177.00 176.51 1nqv s ILE 111 N 0.66 0.99 0.29 2.83 1.01 -1.26 -1.67 121.20 124.06 1nqv s ILE 111 Ca 0.65 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.93 1nqv s ILE 111 Cb -0.43 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 1nqv s ILE 111 CO 0.36 0.21 0.36 0.42 0.00 0.00 0.00 174.94 176.30 1nqv s THR 112 N 1.70 4.46 -0.40 2.92 -4.23 0.42 -4.94 115.64 115.57 1nqv s THR 112 Ca 0.03 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.43 1nqv s THR 112 Cb -0.14 -3.53 0.11 0.00 1.34 0.00 0.00 72.50 70.28 1nqv s THR 112 CO -0.08 -0.25 0.15 0.12 -0.54 0.00 0.00 174.62 174.02 1nqv s PHE 113 N -2.12 3.63 -0.38 3.99 5.36 -1.26 -1.50 117.98 125.69 1nqv s PHE 113 Ca 0.39 -2.80 0.05 0.00 -0.96 0.00 0.00 56.93 53.61 1nqv s PHE 113 Cb -0.09 -3.04 0.47 0.00 -0.34 0.00 0.00 43.02 40.02 1nqv s PHE 113 CO 0.29 -0.93 1.47 0.41 -1.46 0.00 0.00 175.22 174.99 1nqv n GLY 114 N 4.21 5.89 3.59 13.12 0.00 0.11 -4.72 105.19 127.41 1nqv n GLY 114 Ca 0.02 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 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 -4.31 5.24 0.19 1.61 1.01 -1.21 -2.92 120.40 120.01 1nqv s VAL 115 Ca 0.53 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 1nqv s VAL 115 Cb 0.43 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 1nqv s VAL 115 CO 0.01 0.27 0.95 -0.63 0.00 0.00 0.00 175.10 175.71 1nqv s ILE 116 N 1.62 4.22 -0.50 2.22 1.01 -0.21 -4.93 121.20 124.64 1nqv s ILE 116 Ca 0.07 2.07 0.03 0.00 0.00 0.00 0.00 60.65 62.82 1nqv s ILE 116 Cb -0.15 -4.32 0.15 0.00 0.01 0.00 0.00 42.46 38.14 1nqv s ILE 116 CO 0.09 0.43 0.31 0.42 0.00 0.00 0.00 174.94 176.19 1nqv s THR 117 N -0.73 1.65 -0.06 2.92 -4.23 -1.26 -0.97 115.64 112.97 1nqv s THR 117 Ca 0.43 -2.98 -0.03 0.00 -1.18 0.00 0.00 61.69 57.94 1nqv s THR 117 Cb -0.25 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 1nqv s THR 117 CO 0.31 -0.96 0.08 0.00 -0.54 0.00 0.00 174.62 173.51 1nqv s ALA 118 N -0.11 3.58 0.14 3.99 0.00 0.51 -5.00 121.76 124.88 1nqv s ALA 118 Ca 0.21 -0.79 0.11 0.00 0.00 0.00 0.00 51.96 51.50 1nqv s ALA 118 Cb -0.16 -1.66 0.18 0.00 0.00 0.00 0.00 23.12 21.47 1nqv s ALA 118 CO -0.06 0.64 1.50 -0.44 0.00 0.00 0.00 175.76 177.40 1nqv h ASP 119 N 4.65 0.00 -4.24 0.00 3.32 -1.94 -0.05 116.42 118.15 1nqv h ASP 119 Ca -0.51 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.24 1nqv h ASP 119 Cb 1.20 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.60 1nqv h ASP 119 CO 0.59 0.69 -0.69 0.42 -1.72 0.00 0.00 179.24 178.53 1nqv s THR 120 N -3.21 0.93 0.22 0.35 -4.23 -1.26 -4.01 115.64 104.43 1nqv s THR 120 Ca 0.00 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 1nqv s THR 120 Cb 0.11 -1.90 0.15 0.00 1.34 0.00 0.00 72.50 72.19 1nqv s THR 120 CO 0.77 -0.69 1.77 0.25 -0.54 0.00 0.00 174.62 176.18 1nqv h LEU 121 N 2.78 1.08 -0.53 4.79 5.85 -1.93 -2.42 115.31 124.94 1nqv h LEU 121 Ca -0.36 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.23 1nqv h LEU 121 Cb 1.19 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 1nqv h LEU 121 CO 0.64 0.98 0.25 -0.08 -0.34 0.00 0.00 178.44 179.88 1nqv h GLU 122 N 1.12 0.46 -0.61 1.25 4.81 -1.99 -0.46 114.58 119.15 1nqv h GLU 122 Ca 0.25 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1nqv h GLU 122 Cb 0.26 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1nqv h GLU 122 CO -0.01 0.30 0.36 1.96 -0.73 0.00 0.00 179.01 180.89 1nqv h GLN 123 N 0.47 0.83 -0.27 1.92 4.20 -1.88 -1.10 115.11 119.29 1nqv h GLN 123 Ca 0.24 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 1nqv h GLN 123 Cb 0.19 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1nqv h GLN 123 CO -0.19 0.59 -0.02 0.00 -0.67 0.00 0.00 178.83 178.53 1nqv h ALA 124 N 1.55 0.36 -0.72 3.87 0.00 -0.73 -2.79 119.26 120.81 1nqv h ALA 124 Ca 0.22 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 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 0.13 0.44 0.82 0.00 0.00 0.00 179.25 180.60 1nqv h ILE 125 N 0.26 1.20 -0.86 0.00 2.04 -0.87 -1.98 117.51 117.30 1nqv h ILE 125 Ca 0.07 -0.42 0.15 0.00 1.00 0.00 0.00 64.86 65.66 1nqv h ILE 125 Cb 0.47 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 1nqv h ILE 125 CO 0.02 0.20 0.56 -0.33 0.00 0.00 0.00 178.15 178.60 1nqv h GLU 126 N 0.98 0.58 -0.12 2.37 5.08 -1.07 -2.58 114.58 119.82 1nqv h GLU 126 Ca 0.26 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1nqv h GLU 126 Cb -0.05 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1nqv h GLU 126 CO -0.05 0.38 0.00 0.54 -1.00 0.00 0.00 179.01 178.88 1nqv n ARG 127 N -4.54 2.33 -2.32 2.33 1.74 -0.80 -0.48 116.66 114.92 1nqv n ARG 127 Ca 0.17 -1.96 -0.31 0.00 -0.77 0.00 0.00 57.85 54.99 1nqv n ARG 127 Cb 0.51 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.49 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 1.31 5.47 0.00 7.54 0.00 -0.85 -1.71 120.51 132.27 1nqv n ALA 128 Ca 0.16 -4.27 0.00 0.00 0.00 0.00 0.00 53.44 49.33 1nqv n ALA 128 Cb 0.58 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.50 1.03 0.00 0.00 0.00 0.58 -4.71 105.19 101.60 1nqv n GLY 129 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.93 0.00 0.25 2.61 -2.24 -1.18 -4.93 114.28 106.86 1nqv n THR 130 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 1nqv n THR 130 Cb 0.00 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 68.85 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 -0.73 -0.78 2.10 -1.83 -1.17 116.57 114.17 1nqv h LYS 131 Ca 0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.35 1nqv h LYS 131 Cb 0.00 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 31.15 1nqv h LYS 131 CO 0.00 0.12 0.32 0.72 -2.00 0.00 0.00 179.45 178.61 1nqv n HIS 132 N -4.14 2.33 -3.73 0.07 8.25 0.37 -5.04 115.22 113.33 1nqv n HIS 132 Ca -0.02 -1.46 0.00 0.00 -0.26 0.00 0.00 57.72 55.97 1nqv n HIS 132 Cb 0.20 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.60 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 -0.67 -1.47 2.78 -1.41 0.00 -0.44 -4.63 105.19 99.36 1nqv n GLY 133 Ca 0.45 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 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 3.02 0.52 1.61 3.84 -1.25 -0.30 114.94 118.38 1nqv s ASN 134 Ca 0.00 -0.85 0.29 0.00 0.21 0.00 0.00 52.86 52.52 1nqv s ASN 134 Cb 0.00 -0.71 1.38 0.00 -0.55 0.00 0.00 41.25 41.37 1nqv s ASN 134 CO 0.00 -0.28 2.02 0.11 -2.79 0.00 0.00 177.10 176.15 1nqv h LYS 135 N 8.19 0.00 -0.34 0.43 1.79 -1.65 -1.50 116.57 123.49 1nqv h LYS 135 Ca -0.17 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.21 1nqv h LYS 135 Cb 1.11 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.75 1nqv h LYS 135 CO 0.35 0.12 -0.15 0.78 -1.08 0.00 0.00 179.45 179.47 1nqv h GLY 136 N 1.33 0.76 0.99 3.86 0.00 -1.83 -0.91 103.07 107.27 1nqv h GLY 136 Ca -0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 1nqv h GLY 136 CO 0.01 0.61 0.23 -0.25 0.00 0.00 0.00 176.54 177.15 1nqv h TRP 137 N 0.48 0.49 -0.44 5.60 7.01 -1.52 -1.39 115.95 126.18 1nqv h TRP 137 Ca 0.08 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 1nqv h TRP 137 Cb 0.68 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 1nqv h TRP 137 CO 0.06 0.34 0.21 0.93 -2.79 0.00 0.00 178.44 177.19 1nqv h GLU 138 N 0.49 0.63 -0.12 2.65 5.08 -1.21 -0.30 114.58 121.80 1nqv h GLU 138 Ca 0.13 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1nqv h GLU 138 Cb -0.01 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1nqv h GLU 138 CO -0.03 0.53 -0.32 0.00 -1.00 0.00 0.00 179.01 178.20 1nqv h ALA 139 N 1.06 1.25 -0.22 3.43 0.00 -1.05 -1.38 119.26 122.35 1nqv h ALA 139 Ca 0.15 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1nqv h ALA 139 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1nqv h ALA 139 CO -0.02 0.51 -0.09 0.00 0.00 0.00 0.00 179.25 179.65 1nqv h ALA 140 N 1.47 0.30 -0.92 0.00 0.00 -0.94 -1.59 119.26 117.59 1nqv h ALA 140 Ca 0.03 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1nqv h ALA 140 Cb 0.67 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1nqv h ALA 140 CO 0.05 0.13 0.60 1.25 0.00 0.00 0.00 179.25 181.28 1nqv h LEU 141 N 0.15 1.03 -0.67 0.00 5.85 -0.68 -0.30 115.31 120.70 1nqv h LEU 141 Ca 0.05 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1nqv h LEU 141 Cb 0.58 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1nqv h LEU 141 CO 0.03 0.73 0.40 -1.28 -0.34 0.00 0.00 178.44 177.98 1nqv h SER 142 N 1.21 0.80 -0.34 1.25 0.87 -1.14 -2.16 113.55 114.04 1nqv h SER 142 Ca 0.35 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.77 1nqv h SER 142 Cb -0.10 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 1nqv h SER 142 CO -0.09 0.63 -0.03 0.00 -0.53 0.00 0.00 176.83 176.82 1nqv h ALA 143 N 1.21 1.14 0.01 6.23 0.00 -0.47 0.74 119.26 128.12 1nqv h ALA 143 Ca 0.24 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nqv h ALA 143 Cb -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1nqv h ALA 143 CO -0.04 0.55 -0.01 0.82 0.00 0.00 0.00 179.25 180.57 1nqv h ILE 144 N 0.68 0.98 -0.51 0.00 2.04 -0.82 -0.09 117.51 119.79 1nqv h ILE 144 Ca 0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1nqv h ILE 144 Cb 0.46 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1nqv h ILE 144 CO 0.02 0.00 0.29 -0.08 0.00 0.00 0.00 178.15 178.38 1nqv h GLU 145 N -0.02 0.70 -0.34 2.37 4.81 -0.95 -1.63 114.58 119.53 1nqv h GLU 145 Ca -0.00 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 1nqv h GLU 145 Cb 0.02 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1nqv h GLU 145 CO 0.00 0.54 -0.35 0.52 -0.73 0.00 0.00 179.01 178.99 1nqv h MET 146 N 0.68 0.84 -0.52 1.92 2.86 -0.64 -0.56 114.93 119.50 1nqv h MET 146 Ca 0.18 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1nqv h MET 146 Cb 0.03 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1nqv h MET 146 CO -0.03 1.09 0.34 0.00 1.06 0.00 0.00 176.91 179.36 1nqv h ALA 147 N 0.74 0.66 -0.57 6.32 0.00 -0.90 0.14 119.26 125.66 1nqv h ALA 147 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nqv h ALA 147 Cb 0.94 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1nqv h ALA 147 CO 0.09 0.12 0.30 -0.91 0.00 0.00 0.00 179.25 178.85 1nqv h ASN 148 N 0.70 0.72 -0.64 0.00 2.35 -1.11 -2.38 115.58 115.23 1nqv h ASN 148 Ca 0.19 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1nqv h ASN 148 Cb -0.06 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1nqv h ASN 148 CO -0.04 0.61 0.42 0.25 -1.65 0.00 0.00 177.43 177.02 1nqv h LEU 149 N 0.77 0.73 -2.01 1.61 5.85 -0.63 -2.30 115.31 119.33 1nqv h LEU 149 Ca 0.20 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1nqv h LEU 149 Cb 0.06 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1nqv h LEU 149 CO -0.03 0.53 -0.07 -0.26 -0.34 0.00 0.00 178.44 178.27 1nqv h PHE 150 N 0.86 0.00 -0.16 1.25 -1.00 -0.35 -0.80 116.94 116.75 1nqv h PHE 150 Ca 0.23 0.00 0.05 0.00 2.81 0.00 0.00 57.97 61.06 1nqv h PHE 150 Cb -0.10 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 1nqv h PHE 150 CO -0.03 0.07 0.12 0.87 -1.61 0.00 0.00 178.31 177.73 1nqv h LYS 151 N 0.00 0.00 0.00 1.51 1.57 -0.91 -1.30 116.57 117.44 1nqv h LYS 151 Ca -0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1nqv h LYS 151 Cb 0.32 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 1nqv h LYS 151 CO 0.01 0.00 -2.04 -1.13 -0.57 0.00 0.00 179.45 175.72 1nqv n SER 152 N -4.48 1.39 0.09 0.86 3.41 -0.61 -4.70 113.62 109.57 1nqv n SER 152 Ca 0.01 -0.01 -0.15 0.00 -0.26 0.00 0.00 58.87 58.47 1nqv n SER 152 Cb 0.25 0.77 -0.09 0.00 -0.26 0.00 0.00 64.21 64.88 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 0.48 -0.57 1.04 5.85 -1.13 -3.53 115.31 117.45 1nqv h LEU 153 Ca -0.41 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 57.87 1nqv h LEU 153 Cb 1.91 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.79 1nqv h LEU 153 CO 0.01 1.28 0.00 -1.14 -0.34 0.00 0.00 178.44 178.26