#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 4.47 -0.09 2.12 -0.21 -1.26 -5.06 119.66 119.63 1nqv s GLN 2 Ca 0.00 1.04 0.03 0.00 0.02 0.00 0.00 55.36 56.45 1nqv s GLN 2 Cb 0.00 -3.46 0.01 0.00 1.00 0.00 0.00 33.01 30.56 1nqv s GLN 2 CO 0.00 0.01 -0.17 0.42 -2.12 0.00 0.00 175.29 173.43 1nqv s ILE 3 N 0.92 1.55 -0.08 1.08 1.01 -1.26 -5.12 121.20 119.30 1nqv s ILE 3 Ca 0.42 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.40 1nqv s ILE 3 Cb -0.19 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 1nqv s ILE 3 CO 0.21 0.45 -0.23 -0.31 0.00 0.00 0.00 174.94 175.05 1nqv s TYR 4 N 0.63 2.54 0.17 3.97 1.51 -1.26 -5.13 117.35 119.77 1nqv s TYR 4 Ca -0.14 -0.86 -0.13 0.00 -1.01 0.00 0.00 57.07 54.92 1nqv s TYR 4 Cb -0.16 -1.68 0.01 0.00 -0.11 0.00 0.00 41.96 40.02 1nqv s TYR 4 CO 0.04 -0.31 0.39 -1.83 -1.11 0.00 0.00 175.55 172.74 1nqv s GLU 5 N 0.11 1.21 -0.12 -0.62 -1.05 -1.26 -5.12 118.70 111.86 1nqv s GLU 5 Ca -0.11 -0.96 -0.03 0.00 -0.15 0.00 0.00 54.97 53.71 1nqv s GLU 5 Cb -0.16 0.45 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 1nqv s GLU 5 CO 0.06 -0.48 -0.01 0.20 0.95 0.00 0.00 175.26 175.99 1nqv s GLY 6 N -2.90 1.81 0.93 -3.83 0.00 -1.26 -4.44 107.32 97.63 1nqv s GLY 6 Ca 0.11 -0.81 -0.15 0.00 0.00 0.00 0.00 44.72 43.87 1nqv s GLY 6 CO -0.04 -0.33 1.26 -1.59 0.00 0.00 0.00 173.10 172.41 1nqv s LYS 7 N -0.30 0.90 -0.03 2.90 -2.85 -1.26 -4.86 119.74 114.24 1nqv s LYS 7 Ca 0.06 -0.20 0.13 0.00 -1.00 0.00 0.00 55.97 54.96 1nqv s LYS 7 Cb -0.12 -1.86 0.40 0.00 -2.06 0.00 0.00 37.83 34.18 1nqv s LYS 7 CO 0.02 -2.27 1.33 1.28 0.10 0.00 0.00 175.35 175.81 1nqv n LEU 8 N -3.71 3.27 -4.77 2.77 4.77 -1.26 -4.09 117.00 113.98 1nqv n LEU 8 Ca 0.13 -2.16 -0.39 0.00 -0.03 0.00 0.00 56.01 53.56 1nqv n LEU 8 Cb 0.60 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1nqv n LEU 8 CO 0.49 0.76 0.28 0.42 -1.33 0.00 0.00 177.39 178.01 1nqv s THR 9 N -1.28 4.89 -0.56 -5.08 -4.23 -1.26 -4.86 115.64 103.26 1nqv s THR 9 Ca 0.30 1.22 0.15 0.00 -1.18 0.00 0.00 61.69 62.17 1nqv s THR 9 Cb 0.18 -3.91 0.49 0.00 1.34 0.00 0.00 72.50 70.59 1nqv s THR 9 CO 0.17 0.44 1.41 0.00 -0.54 0.00 0.00 174.62 176.10 1nqv n ALA 10 N 2.55 2.77 -1.64 3.99 0.00 0.47 -4.98 120.51 123.67 1nqv n ALA 10 Ca -0.08 -1.80 -0.51 0.00 0.00 0.00 0.00 53.44 51.05 1nqv n ALA 10 Cb 0.51 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 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 0.11 1.48 -0.45 0.00 2.13 -1.24 -1.33 120.64 121.34 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 0.75 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 30.22 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 3.21 1.84 3.82 8.31 0.00 -1.26 -4.99 105.19 116.13 1nqv n GLY 12 Ca 0.20 0.00 -0.34 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 4.12 -0.11 0.99 1.43 -0.44 -5.05 118.68 119.61 1nqv s LEU 13 Ca 0.00 1.52 0.02 0.00 -1.03 0.00 0.00 54.13 54.64 1nqv s LEU 13 Cb 0.00 -4.12 0.01 0.00 0.03 0.00 0.00 46.19 42.11 1nqv s LEU 13 CO 0.00 -0.19 -0.16 -0.13 0.23 0.00 0.00 176.35 176.10 1nqv s ARG 14 N -2.71 2.35 0.04 1.70 0.52 -1.26 -4.61 118.95 114.98 1nqv s ARG 14 Ca 0.54 -0.61 0.08 0.00 -0.52 0.00 0.00 55.73 55.22 1nqv s ARG 14 Cb -0.12 -1.98 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 1nqv s ARG 14 CO 0.18 -0.05 -0.21 -0.06 0.02 0.00 0.00 175.30 175.17 1nqv s PHE 15 N 0.96 2.49 -0.17 -0.53 0.40 -0.38 -0.59 117.98 120.16 1nqv s PHE 15 Ca -0.07 -0.30 -0.08 0.00 -0.60 0.00 0.00 56.93 55.88 1nqv s PHE 15 Cb -0.15 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 1nqv s PHE 15 CO -0.02 0.21 0.10 0.20 0.70 0.00 0.00 175.22 176.42 1nqv s GLY 16 N -1.35 2.02 -0.13 4.36 0.00 -0.31 -0.29 107.32 111.61 1nqv s GLY 16 Ca 0.14 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.18 1nqv s GLY 16 CO 0.04 -0.06 -0.21 -0.42 0.00 0.00 0.00 173.10 172.46 1nqv s ILE 17 N -0.06 2.26 -0.23 0.90 1.01 0.93 0.09 121.20 126.10 1nqv s ILE 17 Ca 0.09 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 1nqv s ILE 17 Cb -0.12 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.45 1nqv s ILE 17 CO 0.00 0.54 -0.04 -0.69 0.00 0.00 0.00 174.94 174.76 1nqv s VAL 18 N 0.63 3.30 -0.08 2.92 1.01 -0.33 -0.91 120.40 126.93 1nqv s VAL 18 Ca -0.11 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1nqv s VAL 18 Cb -0.16 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1nqv s VAL 18 CO 0.02 0.35 -0.16 0.00 0.00 0.00 0.00 175.10 175.31 1nqv s ALA 19 N 1.45 1.57 0.48 5.51 0.00 -0.23 -0.54 121.76 130.00 1nqv s ALA 19 Ca 0.04 -0.61 -0.08 0.00 0.00 0.00 0.00 51.96 51.32 1nqv s ALA 19 Cb -0.15 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 1nqv s ALA 19 CO -0.03 0.16 0.82 -1.54 0.00 0.00 0.00 175.76 175.17 1nqv s SER 20 N 0.59 6.35 0.05 0.00 1.04 -0.87 -1.77 113.70 119.09 1nqv s SER 20 Ca -0.15 1.09 0.21 0.00 0.48 0.00 0.00 55.95 57.57 1nqv s SER 20 Cb -0.16 -2.31 -0.18 0.00 0.10 0.00 0.00 66.02 63.47 1nqv s SER 20 CO 0.05 -0.57 0.70 0.54 0.98 0.00 0.00 173.24 174.94 1nqv n ARG 21 N -2.01 0.64 -1.78 4.02 1.74 0.13 -4.75 116.66 114.65 1nqv n ARG 21 Ca 0.02 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.70 1nqv n ARG 21 Cb 0.55 -1.68 -0.01 0.00 -1.02 0.00 0.00 32.46 30.29 1nqv n ARG 21 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1nqv s PHE 22 N -3.25 2.69 -1.41 -1.55 5.36 -0.37 -1.25 117.98 118.20 1nqv s PHE 22 Ca -0.05 0.89 -0.10 0.00 -0.96 0.00 0.00 56.93 56.71 1nqv s PHE 22 Cb 0.11 -4.06 0.04 0.00 -0.34 0.00 0.00 43.02 38.76 1nqv s PHE 22 CO 0.84 -3.45 1.10 0.09 -1.46 0.00 0.00 175.22 172.35 1nqv n ASN 23 N 1.66 -5.57 0.24 6.13 3.02 -1.26 -4.50 115.26 114.98 1nqv n ASN 23 Ca 0.06 -0.63 0.14 0.00 -0.03 0.00 0.00 54.58 54.12 1nqv n ASN 23 Cb 0.38 -4.63 0.80 0.00 -0.61 0.00 0.00 39.78 35.71 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 -2.46 0.00 0.00 3.10 2.07 -1.47 0.24 115.15 116.64 1nqv h HIS 24 Ca -0.58 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 56.92 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 -0.12 0.00 -3.07 0.00 0.00 177.93 175.26 1nqv h ALA 25 N 1.92 1.31 0.02 6.11 0.00 -1.90 0.23 119.26 126.95 1nqv h ALA 25 Ca 0.04 -0.11 -0.37 0.00 0.00 0.00 0.00 54.91 54.47 1nqv h ALA 25 Cb 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1nqv h ALA 25 CO -0.00 0.15 -2.09 1.28 0.00 0.00 0.00 179.25 178.59 1nqv n LEU 26 N -3.69 2.24 -0.30 0.00 4.77 -0.05 -4.30 117.00 115.68 1nqv n LEU 26 Ca -0.02 0.25 0.07 0.00 -0.03 0.00 0.00 56.01 56.28 1nqv n LEU 26 Cb 0.24 -0.93 0.22 0.00 -2.33 0.00 0.00 43.42 40.63 1nqv n LEU 26 CO 0.30 0.61 1.12 0.58 -1.33 0.00 0.00 177.39 178.67 1nqv h VAL 27 N -0.63 0.76 -0.42 4.08 2.07 -1.01 -0.93 116.25 120.18 1nqv h VAL 27 Ca -0.54 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 66.84 1nqv h VAL 27 Cb 1.66 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1nqv h VAL 27 CO -0.22 0.12 0.29 0.44 0.02 0.00 0.00 177.57 178.22 1nqv h ASP 28 N 0.67 0.18 0.10 0.57 3.32 -0.77 0.31 116.42 120.80 1nqv h ASP 28 Ca 0.46 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.33 1nqv h ASP 28 Cb 0.63 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1nqv h ASP 28 CO -0.35 0.11 -0.67 0.03 -1.72 0.00 0.00 179.24 176.64 1nqv h ARG 29 N 0.20 0.53 -0.68 3.56 2.47 -1.36 -2.30 114.38 116.80 1nqv h ARG 29 Ca 0.19 -0.39 -0.05 0.00 -1.26 0.00 0.00 59.98 58.47 1nqv h ARG 29 Cb 0.50 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 1nqv h ARG 29 CO -0.03 1.02 0.25 -0.07 0.56 0.00 0.00 179.97 181.69 1nqv h LEU 30 N 0.38 0.96 -0.41 3.04 3.38 -0.72 -1.52 115.31 120.41 1nqv h LEU 30 Ca -0.02 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1nqv h LEU 30 Cb 1.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1nqv h LEU 30 CO 0.12 0.89 0.12 0.58 0.09 0.00 0.00 178.44 180.24 1nqv h VAL 31 N 0.98 1.22 -0.54 1.22 2.07 -1.06 -1.27 116.25 118.87 1nqv h VAL 31 Ca 0.22 -0.75 0.09 0.00 0.82 0.00 0.00 66.70 67.08 1nqv h VAL 31 Cb 0.25 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 1nqv h VAL 31 CO -0.01 0.27 0.13 -0.33 0.02 0.00 0.00 177.57 177.64 1nqv h GLU 32 N 0.53 0.26 -0.56 1.57 5.08 -1.24 -1.05 114.58 119.18 1nqv h GLU 32 Ca 0.13 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1nqv h GLU 32 Cb 0.29 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1nqv h GLU 32 CO -0.00 0.17 0.13 0.78 -1.00 0.00 0.00 179.01 179.09 1nqv h GLY 33 N 0.27 0.96 0.91 -3.84 0.00 -0.95 -1.04 103.07 99.39 1nqv h GLY 33 Ca 0.27 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1nqv h GLY 33 CO -0.34 0.57 0.10 0.00 0.00 0.00 0.00 176.54 176.87 1nqv h ALA 34 N 1.02 0.29 -0.48 3.60 0.00 -0.91 -0.29 119.26 122.49 1nqv h ALA 34 Ca 0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1nqv h ALA 34 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1nqv h ALA 34 CO 0.00 -0.13 0.14 0.82 0.00 0.00 0.00 179.25 180.08 1nqv h ILE 35 N 0.22 1.23 -0.63 0.00 2.04 -1.11 -1.75 117.51 117.52 1nqv h ILE 35 Ca 0.08 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.17 1nqv h ILE 35 Cb 0.15 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1nqv h ILE 35 CO -0.01 0.28 0.41 -0.78 0.00 0.00 0.00 178.15 178.05 1nqv h ASP 36 N 0.64 0.71 -0.34 1.72 3.58 -1.03 -0.38 116.42 121.31 1nqv h ASP 36 Ca 0.15 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.60 1nqv h ASP 36 Cb 0.28 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 1nqv h ASP 36 CO -0.00 0.51 0.21 0.00 -2.88 0.00 0.00 179.24 177.07 1nqv h ILE 38 N 0.42 0.92 -0.31 0.00 2.04 -0.79 -2.30 117.51 117.48 1nqv h ILE 38 Ca 0.13 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1nqv h ILE 38 Cb -0.01 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1nqv h ILE 38 CO -0.06 0.05 0.10 0.58 0.00 0.00 0.00 178.15 178.82 1nqv h VAL 39 N -0.28 1.20 0.00 1.67 2.07 -0.96 -0.59 116.25 119.37 1nqv h VAL 39 Ca -0.02 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1nqv h VAL 39 Cb 0.22 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1nqv h VAL 39 CO 0.03 0.22 0.00 0.54 0.02 0.00 0.00 177.57 178.38 1nqv n ARG 40 N -4.68 0.01 -0.10 1.57 1.74 -0.28 -1.40 116.66 113.51 1nqv n ARG 40 Ca -0.02 0.07 0.09 0.00 -0.77 0.00 0.00 57.85 57.22 1nqv n ARG 40 Cb 0.17 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.42 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 -1.49 0.27 0.00 -1.55 8.25 -0.87 -4.93 115.22 114.90 1nqv n HIS 41 Ca 0.06 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1nqv n HIS 41 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 1.07 0.46 3.81 -1.41 0.00 -0.49 -0.39 105.19 108.23 1nqv n GLY 42 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.09 2.39 0.11 -0.02 0.00 -0.26 -3.71 107.32 104.75 1nqv s GLY 43 Ca 0.00 0.50 -0.14 0.00 0.00 0.00 0.00 44.72 45.08 1nqv s GLY 43 CO 0.00 0.80 0.51 0.50 0.00 0.00 0.00 173.10 174.91 1nqv s ARG 44 N -3.41 3.95 0.42 2.90 0.52 -1.26 -4.09 118.95 117.99 1nqv s ARG 44 Ca 0.65 0.45 0.20 0.00 -0.52 0.00 0.00 55.73 56.50 1nqv s ARG 44 Cb -0.14 -3.00 0.95 0.00 0.52 0.00 0.00 34.95 33.28 1nqv s ARG 44 CO 0.22 0.53 1.88 1.05 0.02 0.00 0.00 175.30 178.99 1nqv h GLU 45 N 3.78 0.00 0.00 3.54 -0.00 -1.95 -0.97 114.58 118.98 1nqv h GLU 45 Ca -0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 58.85 1nqv h GLU 45 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.95 1nqv h GLU 45 CO 0.65 0.28 -0.07 0.93 -0.00 0.00 0.00 179.01 180.80 1nqv h GLU 46 N 0.00 0.00 -0.48 1.06 3.07 -2.00 -1.74 114.58 114.49 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 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1nqv h GLU 46 CO 0.04 0.07 0.00 -0.25 -1.40 0.00 0.00 179.01 177.47 1nqv n ASP 47 N -3.37 2.58 -4.67 1.42 8.00 -0.37 -4.83 116.55 115.31 1nqv n ASP 47 Ca -0.01 -2.02 -0.35 0.00 0.71 0.00 0.00 54.79 53.12 1nqv n ASP 47 Cb 0.23 -0.33 -0.09 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.40 5.00 -0.22 0.53 1.01 -0.66 -1.25 121.20 124.22 1nqv s ILE 48 Ca 0.32 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.96 1nqv s ILE 48 Cb 0.17 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 1nqv s ILE 48 CO 0.21 0.46 -0.01 -0.89 0.00 0.00 0.00 174.94 174.71 1nqv s THR 49 N 0.32 3.66 -0.21 2.92 2.01 0.60 -4.98 115.64 119.96 1nqv s THR 49 Ca 0.05 -0.40 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 1nqv s THR 49 Cb -0.12 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1nqv s THR 49 CO -0.01 0.41 0.04 -0.22 -0.69 0.00 0.00 174.62 174.16 1nqv s LEU 50 N 1.41 3.49 -0.15 4.42 2.96 -1.26 -0.05 118.68 129.50 1nqv s LEU 50 Ca 0.05 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1nqv s LEU 50 Cb -0.14 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1nqv s LEU 50 CO -0.01 0.06 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.22 1nqv s VAL 51 N 1.05 2.52 -0.09 1.68 1.01 -0.09 -4.97 120.40 121.50 1nqv s VAL 51 Ca 0.03 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 1nqv s VAL 51 Cb -0.14 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1nqv s VAL 51 CO 0.03 0.52 0.16 -0.13 0.00 0.00 0.00 175.10 175.68 1nqv s ARG 52 N 0.83 3.46 0.10 2.72 0.52 -1.26 -1.07 118.95 124.25 1nqv s ARG 52 Ca -0.05 -0.14 0.02 0.00 -0.52 0.00 0.00 55.73 55.03 1nqv s ARG 52 Cb -0.15 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1nqv s ARG 52 CO -0.01 0.76 -0.06 0.14 0.02 0.00 0.00 175.30 176.15 1nqv s VAL 53 N -1.09 0.67 0.09 3.52 -7.23 -0.73 -4.95 120.40 110.69 1nqv s VAL 53 Ca 0.18 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.12 1nqv s VAL 53 Cb -0.12 -1.71 -0.14 0.00 0.56 0.00 0.00 36.38 34.97 1nqv s VAL 53 CO 0.07 -0.85 1.65 -0.65 -0.31 0.00 0.00 175.10 175.01 1nqv h PRO 54 N 2.95 -0.57 -4.45 4.82 0.11 -1.94 0.40 132.00 133.34 1nqv h PRO 54 Ca -0.35 0.04 -0.28 0.00 0.11 0.00 0.00 66.00 65.51 1nqv h PRO 54 Cb 1.17 0.13 -0.12 0.00 0.11 0.00 0.00 31.00 32.28 1nqv h PRO 54 CO 0.65 -0.38 -0.43 0.20 -0.21 0.00 0.00 178.00 177.83 1nqv s GLY 55 N -2.24 1.57 0.41 -0.55 0.00 -1.26 -1.24 107.32 104.01 1nqv s GLY 55 Ca -0.16 -1.65 0.12 0.00 0.00 0.00 0.00 44.72 43.03 1nqv s GLY 55 CO 0.64 -1.23 1.96 1.76 0.00 0.00 0.00 173.10 176.23 1nqv h SER 56 N 2.33 0.45 -0.97 1.64 0.02 -1.91 -1.38 113.55 113.73 1nqv h SER 56 Ca -0.30 0.01 0.18 0.00 -0.84 0.00 0.00 61.79 60.85 1nqv h SER 56 Cb 1.24 -0.08 -0.09 0.00 0.14 0.00 0.00 62.40 63.61 1nqv h SER 56 CO 0.43 0.26 0.61 -0.25 -1.14 0.00 0.00 176.83 176.74 1nqv h TRP 57 N 0.49 0.91 -0.00 3.45 2.91 -1.96 -1.83 115.95 119.92 1nqv h TRP 57 Ca 0.31 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.36 1nqv h TRP 57 Cb 0.56 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.93 1nqv h TRP 57 CO -0.00 0.24 -0.16 0.39 -1.03 0.00 0.00 178.44 177.88 1nqv n GLU 58 N -4.66 0.72 -0.10 2.65 4.71 -0.52 -4.28 120.64 119.16 1nqv n GLU 58 Ca 0.21 -0.31 -0.09 0.00 -0.01 0.00 0.00 57.16 56.95 1nqv n GLU 58 Cb 0.58 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.49 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 0.77 1.15 -0.13 -3.67 2.04 -1.30 -3.14 117.51 113.21 1nqv h ILE 59 Ca 0.00 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.49 1nqv h ILE 59 Cb 0.41 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1nqv h ILE 59 CO 0.00 0.15 -0.05 -0.65 0.00 0.00 0.00 178.15 177.60 1nqv h PRO 60 N 0.37 -0.03 -0.50 2.37 0.11 -1.76 0.88 132.00 133.44 1nqv h PRO 60 Ca 0.11 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 1nqv h PRO 60 Cb 0.09 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1nqv h PRO 60 CO -0.02 -0.02 0.21 -0.24 -0.21 0.00 0.00 178.00 177.72 1nqv h VAL 61 N -0.03 1.18 -0.27 3.15 3.04 -1.85 0.14 116.25 121.61 1nqv h VAL 61 Ca 0.07 -0.55 -0.13 0.00 -1.01 0.00 0.00 66.70 65.08 1nqv h VAL 61 Cb 0.13 0.58 -0.00 0.00 -2.01 0.00 0.00 31.29 29.99 1nqv h VAL 61 CO -0.15 0.22 -0.35 0.00 -1.01 0.00 0.00 177.57 176.27 1nqv h ALA 62 N 1.53 0.41 -0.38 3.17 0.00 -1.45 -3.02 119.26 119.53 1nqv h ALA 62 Ca 0.17 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1nqv h ALA 62 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1nqv h ALA 62 CO -0.02 0.48 0.12 0.00 0.00 0.00 0.00 179.25 179.83 1nqv h ALA 63 N 0.68 1.51 -1.00 0.00 0.00 -0.03 -1.51 119.26 118.91 1nqv h ALA 63 Ca 0.03 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1nqv h ALA 63 Cb 0.94 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1nqv h ALA 63 CO 0.08 0.37 0.66 0.78 0.00 0.00 0.00 179.25 181.15 1nqv h GLY 64 N 0.73 1.45 1.12 0.00 0.00 -0.69 0.13 103.07 105.81 1nqv h GLY 64 Ca 0.13 -0.51 -0.18 0.00 0.00 0.00 0.00 47.33 46.77 1nqv h GLY 64 CO -0.01 0.46 -0.54 0.83 0.00 0.00 0.00 176.54 177.28 1nqv h GLU 65 N 1.30 0.85 -0.29 4.80 4.39 -1.17 -2.85 114.58 121.61 1nqv h GLU 65 Ca 0.39 -0.55 -0.11 0.00 0.34 0.00 0.00 59.36 59.43 1nqv h GLU 65 Cb -0.05 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1nqv h GLU 65 CO -0.11 1.18 -0.25 -0.07 -1.16 0.00 0.00 179.01 178.60 1nqv h LEU 66 N 0.63 0.73 -1.94 1.33 3.38 -1.07 -3.00 115.31 115.36 1nqv h LEU 66 Ca 0.01 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1nqv h LEU 66 Cb 1.15 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1nqv h LEU 66 CO 0.12 1.03 -0.09 0.00 0.09 0.00 0.00 178.44 179.59 1nqv h ALA 67 N 0.72 1.17 0.00 1.53 0.00 -0.81 -1.61 119.26 120.26 1nqv h ALA 67 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nqv h ALA 67 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1nqv h ALA 67 CO 0.06 0.11 0.00 0.54 0.00 0.00 0.00 179.25 179.96 1nqv n ARG 68 N -3.44 0.18 -2.34 0.00 1.74 -1.08 -4.79 116.66 106.94 1nqv n ARG 68 Ca -0.01 0.25 -0.42 0.00 -0.77 0.00 0.00 57.85 56.90 1nqv n ARG 68 Cb 0.24 -1.75 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 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 4.38 0.47 5.56 1.02 -0.61 -4.91 119.74 122.52 1nqv s LYS 69 Ca 0.09 1.86 0.22 0.00 0.02 0.00 0.00 55.97 58.16 1nqv s LYS 69 Cb 0.12 -3.36 1.17 0.00 -0.52 0.00 0.00 37.83 35.24 1nqv s LYS 69 CO 0.49 -0.35 1.98 1.49 -0.92 0.00 0.00 175.35 178.04 1nqv h GLU 70 N 6.95 0.00 -0.67 1.68 4.81 -1.88 -2.41 114.58 123.06 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 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1nqv h GLU 70 CO 0.84 0.20 0.00 -0.40 -0.73 0.00 0.00 179.01 178.91 1nqv n ASP 71 N -3.81 3.94 -4.37 1.04 5.75 -1.26 -4.79 116.55 113.05 1nqv n ASP 71 Ca -0.02 -2.50 -0.35 0.00 -0.01 0.00 0.00 54.79 51.91 1nqv n ASP 71 Cb 0.30 -0.57 -0.13 0.00 -1.03 0.00 0.00 41.12 39.69 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 -2.02 3.59 0.02 2.12 -1.09 -0.91 -4.76 121.20 118.15 1nqv s ILE 72 Ca 0.37 -0.43 0.10 0.00 -2.23 0.00 0.00 60.65 58.46 1nqv s ILE 72 Cb 0.26 -2.62 -0.20 0.00 -1.58 0.00 0.00 42.46 38.32 1nqv s ILE 72 CO 0.14 0.43 1.01 0.44 -1.23 0.00 0.00 174.94 175.72 1nqv h ASP 73 N 7.80 0.00 -4.95 3.58 3.32 -1.15 -3.47 116.42 121.54 1nqv h ASP 73 Ca -0.38 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 1nqv h ASP 73 Cb 1.17 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.56 1nqv h ASP 73 CO 0.60 0.94 0.22 0.00 -1.72 0.00 0.00 179.24 179.29 1nqv s ALA 74 N -2.69 -1.70 -0.06 3.45 0.00 -1.23 -4.47 121.76 115.06 1nqv s ALA 74 Ca -0.01 0.94 0.05 0.00 0.00 0.00 0.00 51.96 52.94 1nqv s ALA 74 Cb 0.09 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 1nqv s ALA 74 CO 0.82 -0.56 -0.20 0.08 0.00 0.00 0.00 175.76 175.90 1nqv s VAL 75 N -2.43 2.54 -0.21 0.00 1.01 -0.70 -1.17 120.40 119.45 1nqv s VAL 75 Ca -0.05 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 1nqv s VAL 75 Cb -0.01 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1nqv s VAL 75 CO -0.02 0.57 -0.06 -0.63 0.00 0.00 0.00 175.10 174.97 1nqv s ILE 76 N -0.41 3.25 -0.25 2.22 1.01 0.11 -0.35 121.20 126.79 1nqv s ILE 76 Ca 0.04 -0.54 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 1nqv s ILE 76 Cb -0.12 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1nqv s ILE 76 CO 0.02 0.44 0.31 0.00 0.00 0.00 0.00 174.94 175.71 1nqv s ALA 77 N 1.32 3.57 -0.11 9.38 0.00 -0.60 -1.19 121.76 134.13 1nqv s ALA 77 Ca 0.04 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1nqv s ALA 77 Cb -0.14 -2.58 0.02 0.00 0.00 0.00 0.00 23.12 20.42 1nqv s ALA 77 CO -0.03 -0.46 -0.13 0.42 0.00 0.00 0.00 175.76 175.56 1nqv s ILE 78 N 1.62 1.37 0.20 0.00 1.01 0.30 0.25 121.20 125.96 1nqv s ILE 78 Ca 0.13 -0.54 -0.24 0.00 0.00 0.00 0.00 60.65 60.00 1nqv s ILE 78 Cb -0.15 -1.29 0.05 0.00 0.01 0.00 0.00 42.46 41.08 1nqv s ILE 78 CO 0.08 0.42 0.87 -0.83 0.00 0.00 0.00 174.94 175.48 1nqv s GLY 79 N 1.23 -0.19 -0.13 6.18 0.00 -1.15 -2.05 107.32 111.22 1nqv s GLY 79 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 44.72 44.65 1nqv s GLY 79 CO -0.05 -0.03 0.02 0.14 0.00 0.00 0.00 173.10 173.18 1nqv s VAL 80 N -3.52 0.44 -0.17 1.40 1.01 -1.26 -0.90 120.40 117.39 1nqv s VAL 80 Ca 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 1nqv s VAL 80 Cb -0.03 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 1nqv s VAL 80 CO 0.04 0.05 -0.02 -0.76 0.00 0.00 0.00 175.10 174.40 1nqv s LEU 81 N 1.93 3.31 -0.07 3.92 1.43 -0.20 -4.68 118.68 124.30 1nqv s LEU 81 Ca 0.02 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1nqv s LEU 81 Cb -0.14 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.28 1nqv s LEU 81 CO -0.07 0.15 -0.16 -0.63 0.23 0.00 0.00 176.35 175.87 1nqv s ILE 82 N 0.49 1.45 0.21 -0.59 1.01 -1.26 -0.68 121.20 121.84 1nqv s ILE 82 Ca -0.02 -0.67 -0.32 0.00 0.00 0.00 0.00 60.65 59.64 1nqv s ILE 82 Cb -0.14 -1.29 -0.12 0.00 0.01 0.00 0.00 42.46 40.92 1nqv s ILE 82 CO 0.02 0.42 1.67 -1.14 0.00 0.00 0.00 174.94 175.92 1nqv n ARG 83 N 3.68 2.63 0.00 2.79 0.63 -0.14 -4.93 116.66 121.32 1nqv n ARG 83 Ca -0.21 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 1nqv n ARG 83 Cb 0.52 -2.77 0.00 0.00 0.45 0.00 0.00 32.46 30.67 1nqv n ARG 83 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nqv n GLY 84 N 3.60 1.44 0.14 5.14 0.00 -1.26 -4.87 105.19 109.38 1nqv n GLY 84 Ca 0.15 -1.89 0.03 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.23 0.68 -1.27 4.61 0.00 -2.01 -3.47 119.26 116.57 1nqv h ALA 85 Ca 0.00 -0.45 -0.52 0.00 0.00 0.00 0.00 54.91 53.94 1nqv h ALA 85 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1nqv h ALA 85 CO 0.00 0.62 -0.36 0.95 0.00 0.00 0.00 179.25 180.47 1nqv s THR 86 N -2.98 2.37 -2.00 0.00 -4.23 -1.26 -5.00 115.64 102.53 1nqv s THR 86 Ca 0.04 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 1nqv s THR 86 Cb 0.08 -2.76 0.07 0.00 1.34 0.00 0.00 72.50 71.22 1nqv s THR 86 CO 0.74 0.00 0.75 -0.81 -0.54 0.00 0.00 174.62 174.76 1nqv n PRO 87 N -1.60 0.64 -0.26 3.99 -0.04 -1.26 -3.98 135.00 132.49 1nqv n PRO 87 Ca 0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 1nqv n PRO 87 Cb 0.63 -1.06 0.14 0.00 -0.04 0.00 0.00 33.50 33.16 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 -0.16 -0.55 0.54 2.76 -1.95 -0.93 115.15 114.86 1nqv h HIS 88 Ca 0.00 0.06 0.11 0.00 -2.20 0.00 0.00 60.37 58.34 1nqv h HIS 88 Cb 0.00 0.19 -0.09 0.00 1.55 0.00 0.00 27.41 29.06 1nqv h HIS 88 CO 0.00 -0.27 0.04 0.35 -1.30 0.00 0.00 177.93 176.75 1nqv h PHE 89 N 0.06 0.04 -0.28 5.26 3.57 -1.92 -1.98 116.94 121.69 1nqv h PHE 89 Ca 0.39 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.96 1nqv h PHE 89 Cb 0.67 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1nqv h PHE 89 CO -0.48 -0.10 0.12 -0.44 -2.23 0.00 0.00 178.31 175.19 1nqv h ASP 90 N 0.16 0.17 -0.17 0.41 5.19 -1.47 0.14 116.42 120.84 1nqv h ASP 90 Ca 0.28 0.02 -0.14 0.00 -0.62 0.00 0.00 57.03 56.57 1nqv h ASP 90 Cb 0.43 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1nqv h ASP 90 CO -0.43 0.13 -0.39 1.88 -3.12 0.00 0.00 179.24 177.31 1nqv h TYR 91 N 0.26 0.83 -0.07 4.55 0.05 -1.17 -0.25 116.97 121.18 1nqv h TYR 91 Ca 0.12 -0.24 -0.05 0.00 0.05 0.00 0.00 58.73 58.60 1nqv h TYR 91 Cb 0.06 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.62 1nqv h TYR 91 CO -0.11 0.98 -0.17 0.82 -1.05 0.00 0.00 178.16 178.63 1nqv h ILE 92 N 0.58 1.43 -0.82 -2.88 2.04 -1.19 -1.90 117.51 114.76 1nqv h ILE 92 Ca 0.05 -1.53 0.07 0.00 1.00 0.00 0.00 64.86 64.45 1nqv h ILE 92 Cb 0.92 2.26 -0.06 0.00 -0.74 0.00 0.00 36.82 39.20 1nqv h ILE 92 CO 0.08 0.43 0.50 0.00 0.00 0.00 0.00 178.15 179.16 1nqv h ALA 93 N 0.46 1.14 -0.46 1.87 0.00 -0.68 0.35 119.26 121.95 1nqv h ALA 93 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1nqv h ALA 93 Cb 0.78 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1nqv h ALA 93 CO 0.04 0.21 0.13 0.77 0.00 0.00 0.00 179.25 180.40 1nqv h SER 94 N 0.90 0.67 0.80 0.00 0.02 -1.00 -2.41 113.55 112.52 1nqv h SER 94 Ca 0.37 -0.21 -0.20 0.00 -0.84 0.00 0.00 61.79 60.90 1nqv h SER 94 Cb 0.21 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1nqv h SER 94 CO -0.19 0.71 -0.94 -0.33 -1.14 0.00 0.00 176.83 174.94 1nqv h GLU 95 N 0.60 0.08 -0.23 3.45 4.39 -0.96 -1.72 114.58 120.18 1nqv h GLU 95 Ca 0.15 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1nqv h GLU 95 Cb 0.28 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1nqv h GLU 95 CO -0.00 0.95 0.02 -0.24 -1.16 0.00 0.00 179.01 178.58 1nqv h VAL 96 N 0.03 1.24 -0.48 3.13 3.04 -0.90 -1.22 116.25 121.10 1nqv h VAL 96 Ca -0.03 -0.82 -0.14 0.00 -1.01 0.00 0.00 66.70 64.71 1nqv h VAL 96 Cb 1.62 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 32.22 1nqv h VAL 96 CO 0.13 0.25 -0.23 0.77 -1.01 0.00 0.00 177.57 177.49 1nqv h SER 97 N 0.18 1.03 -0.48 3.17 4.64 -1.46 -2.20 113.55 118.43 1nqv h SER 97 Ca 0.07 -0.40 -0.06 0.00 -0.47 0.00 0.00 61.79 60.93 1nqv h SER 97 Cb 0.36 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1nqv h SER 97 CO 0.01 1.20 0.06 0.50 -0.87 0.00 0.00 176.83 177.73 1nqv h LYS 98 N 0.86 0.80 -0.08 4.77 3.64 -1.26 -1.92 116.57 123.37 1nqv h LYS 98 Ca 0.11 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1nqv h LYS 98 Cb 0.81 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1nqv h LYS 98 CO 0.07 0.81 0.04 0.78 -2.27 0.00 0.00 179.45 178.88 1nqv h GLY 99 N 0.67 0.12 0.74 5.01 0.00 -1.14 -0.05 103.07 108.42 1nqv h GLY 99 Ca 0.14 -0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.45 1nqv h GLY 99 CO 0.01 0.06 0.27 1.41 0.00 0.00 0.00 176.54 178.29 1nqv h LEU 100 N 0.00 0.39 -0.45 3.11 3.38 -1.37 0.97 115.31 121.33 1nqv h LEU 100 Ca 0.03 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1nqv h LEU 100 Cb 0.13 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1nqv h LEU 100 CO -0.00 0.27 0.04 0.00 0.09 0.00 0.00 178.44 178.83 1nqv h ALA 101 N 1.27 0.61 -0.47 1.53 0.00 -1.11 -1.64 119.26 119.45 1nqv h ALA 101 Ca 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nqv h ALA 101 Cb 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1nqv h ALA 101 CO -0.15 0.37 0.25 -0.91 0.00 0.00 0.00 179.25 178.80 1nqv h ASN 102 N 0.63 0.59 -0.68 0.00 -0.26 -0.79 -2.65 115.58 112.43 1nqv h ASN 102 Ca 0.13 -0.10 0.03 0.00 -0.56 0.00 0.00 56.30 55.80 1nqv h ASN 102 Cb 0.44 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.51 1nqv h ASN 102 CO 0.02 0.52 0.43 -0.07 -1.06 0.00 0.00 177.43 177.27 1nqv h LEU 103 N 0.61 0.71 -0.77 1.61 3.38 -0.63 -0.11 115.31 120.10 1nqv h LEU 103 Ca 0.16 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1nqv h LEU 103 Cb 0.07 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1nqv h LEU 103 CO -0.02 0.49 0.48 -1.28 0.09 0.00 0.00 178.44 178.20 1nqv h SER 104 N 0.84 0.77 -0.19 -0.43 0.87 -1.01 0.95 113.55 115.34 1nqv h SER 104 Ca 0.27 0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.65 1nqv h SER 104 Cb 0.00 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1nqv h SER 104 CO -0.10 0.52 -0.60 -0.07 -0.53 0.00 0.00 176.83 176.05 1nqv h LEU 105 N 0.92 0.87 -0.60 2.23 3.38 -1.13 0.57 115.31 121.54 1nqv h LEU 105 Ca 0.32 -0.59 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 1nqv h LEU 105 Cb 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1nqv h LEU 105 CO -0.13 1.31 0.02 -0.08 0.09 0.00 0.00 178.44 179.64 1nqv h GLU 106 N 0.47 1.05 -0.02 1.13 4.81 -0.66 -2.89 114.58 118.47 1nqv h GLU 106 Ca -0.02 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1nqv h GLU 106 Cb 1.23 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1nqv h GLU 106 CO 0.13 1.02 -0.01 1.28 -0.73 0.00 0.00 179.01 180.70 1nqv n LEU 107 N -4.21 1.87 -3.93 1.64 4.77 0.30 -4.95 117.00 112.48 1nqv n LEU 107 Ca 0.03 -0.62 -0.25 0.00 -0.03 0.00 0.00 56.01 55.13 1nqv n LEU 107 Cb 0.33 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1nqv n LEU 107 CO 0.44 0.31 -0.22 0.54 -1.33 0.00 0.00 177.39 177.13 1nqv n ARG 108 N 0.45 -3.26 -3.80 3.23 1.74 0.14 -4.97 116.66 110.18 1nqv n ARG 108 Ca 0.18 0.41 -0.13 0.00 -0.77 0.00 0.00 57.85 57.54 1nqv n ARG 108 Cb 0.42 -4.53 -0.12 0.00 -1.02 0.00 0.00 32.46 27.21 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 0.23 0.24 5.56 2.20 -0.88 -5.05 119.74 115.53 1nqv s LYS 109 Ca 0.02 0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.62 1nqv s LYS 109 Cb -0.01 0.10 -0.10 0.00 -1.51 0.00 0.00 37.83 36.31 1nqv s LYS 109 CO 0.88 -0.04 1.45 -2.14 -0.36 0.00 0.00 175.35 175.15 1nqv s PRO 110 N 0.17 4.26 -0.12 4.03 0.02 -1.26 -4.47 135.00 137.63 1nqv s PRO 110 Ca -0.01 2.31 -0.01 0.00 0.02 0.00 0.00 61.00 63.31 1nqv s PRO 110 Cb -0.02 -3.12 0.03 0.00 0.02 0.00 0.00 34.50 31.42 1nqv s PRO 110 CO -0.00 -0.44 -0.02 0.42 -0.33 0.00 0.00 177.00 176.62 1nqv s ILE 111 N 0.13 0.69 0.29 2.83 1.01 -1.26 -1.72 121.20 123.17 1nqv s ILE 111 Ca 0.61 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 61.09 1nqv s ILE 111 Cb -0.42 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 1nqv s ILE 111 CO 0.42 0.19 0.42 0.42 0.00 0.00 0.00 174.94 176.39 1nqv s THR 112 N 1.83 4.77 -0.40 2.92 -4.23 0.53 -4.94 115.64 116.12 1nqv s THR 112 Ca 0.03 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.60 1nqv s THR 112 Cb -0.14 -3.68 0.11 0.00 1.34 0.00 0.00 72.50 70.14 1nqv s THR 112 CO -0.07 -0.27 0.14 0.12 -0.54 0.00 0.00 174.62 174.00 1nqv s PHE 113 N -2.08 3.62 -0.37 3.99 5.36 -1.26 -1.56 117.98 125.68 1nqv s PHE 113 Ca 0.39 -2.85 0.06 0.00 -0.96 0.00 0.00 56.93 53.57 1nqv s PHE 113 Cb -0.09 -3.02 0.47 0.00 -0.34 0.00 0.00 43.02 40.04 1nqv s PHE 113 CO 0.30 -0.92 1.47 0.41 -1.46 0.00 0.00 175.22 175.02 1nqv n GLY 114 N 4.15 5.78 3.58 13.12 0.00 0.14 -4.72 105.19 127.24 1nqv n GLY 114 Ca 0.03 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 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 -4.18 5.25 0.15 1.61 1.01 -1.20 -2.93 120.40 120.11 1nqv s VAL 115 Ca 0.52 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 1nqv s VAL 115 Cb 0.43 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 33.11 1nqv s VAL 115 CO 0.01 0.15 0.95 -0.63 0.00 0.00 0.00 175.10 175.59 1nqv s ILE 116 N 1.87 4.36 -0.48 2.22 1.01 -0.08 -4.92 121.20 125.19 1nqv s ILE 116 Ca 0.10 2.08 0.03 0.00 0.00 0.00 0.00 60.65 62.85 1nqv s ILE 116 Cb -0.16 -4.33 0.14 0.00 0.01 0.00 0.00 42.46 38.12 1nqv s ILE 116 CO 0.11 0.38 0.27 0.42 0.00 0.00 0.00 174.94 176.11 1nqv s THR 117 N -0.38 1.77 -0.06 2.92 -4.23 -1.26 -1.03 115.64 113.36 1nqv s THR 117 Ca 0.45 -2.90 -0.01 0.00 -1.18 0.00 0.00 61.69 58.05 1nqv s THR 117 Cb -0.24 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 1nqv s THR 117 CO 0.30 -0.90 0.02 0.00 -0.54 0.00 0.00 174.62 173.51 1nqv s ALA 118 N 0.02 3.37 0.22 3.99 0.00 0.15 -5.00 121.76 124.51 1nqv s ALA 118 Ca 0.19 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.40 1nqv s ALA 118 Cb -0.22 -1.51 0.17 0.00 0.00 0.00 0.00 23.12 21.57 1nqv s ALA 118 CO -0.02 0.61 1.50 -0.44 0.00 0.00 0.00 175.76 177.41 1nqv h ASP 119 N 4.87 0.06 -3.95 0.00 3.32 -1.94 -0.33 116.42 118.45 1nqv h ASP 119 Ca -0.51 -0.04 -0.34 0.00 0.02 0.00 0.00 57.03 56.16 1nqv h ASP 119 Cb 1.19 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.58 1nqv h ASP 119 CO 0.56 0.78 -0.70 0.42 -1.72 0.00 0.00 179.24 178.57 1nqv s THR 120 N -3.36 1.15 0.23 0.35 -4.23 -1.26 -3.93 115.64 104.59 1nqv s THR 120 Ca -0.01 -2.06 -0.06 0.00 -1.18 0.00 0.00 61.69 58.37 1nqv s THR 120 Cb 0.12 -1.93 0.18 0.00 1.34 0.00 0.00 72.50 72.20 1nqv s THR 120 CO 0.79 -0.68 1.81 0.25 -0.54 0.00 0.00 174.62 176.25 1nqv h LEU 121 N 2.73 1.06 -0.67 4.79 5.85 -1.93 -1.93 115.31 125.22 1nqv h LEU 121 Ca -0.37 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.25 1nqv h LEU 121 Cb 1.20 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 1nqv h LEU 121 CO 0.64 0.92 0.40 -0.08 -0.34 0.00 0.00 178.44 179.97 1nqv h GLU 122 N 1.14 0.74 -0.55 1.25 4.81 -1.99 -0.48 114.58 119.50 1nqv h GLU 122 Ca 0.27 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1nqv h GLU 122 Cb 0.16 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1nqv h GLU 122 CO -0.03 0.49 0.13 1.96 -0.73 0.00 0.00 179.01 180.83 1nqv h GLN 123 N 0.77 0.84 -0.29 1.92 4.20 -1.84 -1.24 115.11 119.47 1nqv h GLN 123 Ca 0.28 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 1nqv h GLN 123 Cb 0.08 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1nqv h GLN 123 CO -0.13 0.76 0.03 0.00 -0.67 0.00 0.00 178.83 178.82 1nqv h ALA 124 N 1.33 0.38 -0.68 3.87 0.00 -0.47 -2.86 119.26 120.84 1nqv h ALA 124 Ca 0.18 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1nqv h ALA 124 Cb 0.30 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1nqv h ALA 124 CO -0.00 0.09 0.42 0.82 0.00 0.00 0.00 179.25 180.59 1nqv h ILE 125 N 0.29 1.09 -0.77 0.00 2.04 -0.87 -2.15 117.51 117.15 1nqv h ILE 125 Ca 0.08 -0.28 0.12 0.00 1.00 0.00 0.00 64.86 65.78 1nqv h ILE 125 Cb 0.37 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.59 1nqv h ILE 125 CO 0.01 0.15 0.51 -0.33 0.00 0.00 0.00 178.15 178.49 1nqv h GLU 126 N 0.83 0.56 -0.17 2.37 5.08 -1.09 -2.49 114.58 119.67 1nqv h GLU 126 Ca 0.27 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1nqv h GLU 126 Cb 0.02 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1nqv h GLU 126 CO -0.11 0.37 0.00 0.54 -1.00 0.00 0.00 179.01 178.81 1nqv n ARG 127 N -4.50 2.34 -2.31 2.33 1.74 -0.87 -0.10 116.66 115.28 1nqv n ARG 127 Ca 0.14 -1.97 -0.31 0.00 -0.77 0.00 0.00 57.85 54.94 1nqv n ARG 127 Cb 0.42 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.40 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 1.29 5.47 0.00 7.54 0.00 -0.86 -1.69 120.51 132.26 1nqv n ALA 128 Ca 0.16 -4.26 0.00 0.00 0.00 0.00 0.00 53.44 49.35 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 1.02 0.00 0.00 0.00 0.14 -4.72 105.19 101.12 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 -1.95 0.00 0.25 2.61 -2.24 -1.17 -4.93 114.28 106.85 1nqv n THR 130 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1nqv n THR 130 Cb 0.00 0.00 0.63 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.72 -0.78 2.10 -1.82 -0.93 116.57 114.41 1nqv h LYS 131 Ca 0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.30 1nqv h LYS 131 Cb 0.00 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 31.12 1nqv h LYS 131 CO 0.00 0.17 0.34 0.72 -2.00 0.00 0.00 179.45 178.67 1nqv n HIS 132 N -3.74 2.25 -3.94 0.07 8.25 0.85 -5.04 115.22 113.93 1nqv n HIS 132 Ca -0.02 -1.65 0.00 0.00 -0.26 0.00 0.00 57.72 55.80 1nqv n HIS 132 Cb 0.28 -0.74 0.00 0.00 1.12 0.00 0.00 29.99 30.65 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 -0.98 -1.37 2.75 -1.41 0.00 -0.35 -4.58 105.19 99.25 1nqv n GLY 133 Ca 0.47 -1.30 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 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 2.76 0.52 1.61 3.84 -1.25 0.24 114.94 118.66 1nqv s ASN 134 Ca 0.00 -0.73 0.31 0.00 0.21 0.00 0.00 52.86 52.65 1nqv s ASN 134 Cb 0.00 -0.61 1.36 0.00 -0.55 0.00 0.00 41.25 41.45 1nqv s ASN 134 CO 0.00 -0.28 2.00 0.11 -2.79 0.00 0.00 177.10 176.13 1nqv h LYS 135 N 8.24 0.00 -0.17 0.43 1.79 -1.64 -1.43 116.57 123.79 1nqv h LYS 135 Ca -0.17 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.26 1nqv h LYS 135 Cb 1.12 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.76 1nqv h LYS 135 CO 0.33 0.09 -0.05 0.78 -1.08 0.00 0.00 179.45 179.52 1nqv h GLY 136 N 1.57 0.37 0.82 3.86 0.00 -1.82 -1.02 103.07 106.85 1nqv h GLY 136 Ca -0.00 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.05 1nqv h GLY 136 CO 0.01 0.29 0.33 -0.25 0.00 0.00 0.00 176.54 176.92 1nqv h TRP 137 N 0.04 0.61 -0.28 5.60 7.01 -1.51 -1.29 115.95 126.14 1nqv h TRP 137 Ca 0.04 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 1nqv h TRP 137 Cb 0.50 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 1nqv h TRP 137 CO 0.06 0.33 0.15 0.93 -2.79 0.00 0.00 178.44 177.12 1nqv h GLU 138 N 0.64 0.38 -0.00 2.65 5.08 -1.20 -0.94 114.58 121.19 1nqv h GLU 138 Ca 0.24 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1nqv h GLU 138 Cb 0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1nqv h GLU 138 CO -0.12 0.33 -0.38 0.00 -1.00 0.00 0.00 179.01 177.84 1nqv h ALA 139 N 1.03 1.37 -0.15 3.43 0.00 -1.05 -1.34 119.26 122.56 1nqv h ALA 139 Ca 0.10 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1nqv h ALA 139 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nqv h ALA 139 CO -0.02 0.47 -0.08 0.00 0.00 0.00 0.00 179.25 179.62 1nqv h ALA 140 N 1.62 0.21 -0.93 0.00 0.00 -1.06 -0.91 119.26 118.19 1nqv h ALA 140 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1nqv h ALA 140 Cb 0.67 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1nqv h ALA 140 CO 0.05 0.03 0.55 1.25 0.00 0.00 0.00 179.25 181.13 1nqv h LEU 141 N -0.01 1.13 -0.76 0.00 5.85 -0.85 -0.02 115.31 120.65 1nqv h LEU 141 Ca 0.03 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1nqv h LEU 141 Cb 0.57 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1nqv h LEU 141 CO 0.02 0.87 0.50 -1.28 -0.34 0.00 0.00 178.44 178.22 1nqv h SER 142 N 1.29 0.87 -0.22 1.25 0.87 -1.15 -1.92 113.55 114.53 1nqv h SER 142 Ca 0.33 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.78 1nqv h SER 142 Cb -0.04 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 1nqv h SER 142 CO -0.06 0.63 -0.16 0.00 -0.53 0.00 0.00 176.83 176.71 1nqv h ALA 143 N 1.28 1.06 -0.36 6.23 0.00 0.05 0.64 119.26 128.15 1nqv h ALA 143 Ca 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nqv h ALA 143 Cb -0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1nqv h ALA 143 CO -0.06 0.57 0.20 0.82 0.00 0.00 0.00 179.25 180.78 1nqv h ILE 144 N 0.58 1.14 -0.52 0.00 2.04 -0.76 -0.70 117.51 119.29 1nqv h ILE 144 Ca 0.10 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1nqv h ILE 144 Cb 0.60 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1nqv h ILE 144 CO 0.04 0.14 0.18 -0.08 0.00 0.00 0.00 178.15 178.43 1nqv h GLU 145 N 0.45 0.79 -0.34 2.37 4.81 -0.95 -1.86 114.58 119.86 1nqv h GLU 145 Ca 0.13 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 1nqv h GLU 145 Cb 0.06 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1nqv h GLU 145 CO -0.02 0.72 -0.35 0.52 -0.73 0.00 0.00 179.01 179.16 1nqv h MET 146 N 0.70 0.84 -0.45 1.92 2.86 -0.70 -0.38 114.93 119.72 1nqv h MET 146 Ca 0.17 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1nqv h MET 146 Cb 0.25 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1nqv h MET 146 CO -0.01 1.08 0.29 0.00 1.06 0.00 0.00 176.91 179.34 1nqv h ALA 147 N 0.74 0.58 -0.45 6.32 0.00 -1.06 0.29 119.26 125.67 1nqv h ALA 147 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1nqv h ALA 147 Cb 0.93 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1nqv h ALA 147 CO 0.09 0.04 0.22 -0.91 0.00 0.00 0.00 179.25 178.69 1nqv h ASN 148 N 0.61 0.59 -0.64 0.00 2.35 -1.20 -2.44 115.58 114.86 1nqv h ASN 148 Ca 0.17 -0.12 0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1nqv h ASN 148 Cb -0.05 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.13 1nqv h ASN 148 CO -0.03 0.55 0.37 0.25 -1.65 0.00 0.00 177.43 176.92 1nqv h LEU 149 N 0.59 0.59 -1.76 1.61 5.85 -0.56 -2.32 115.31 119.31 1nqv h LEU 149 Ca 0.16 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1nqv h LEU 149 Cb 0.11 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1nqv h LEU 149 CO -0.02 0.40 0.00 -0.26 -0.34 0.00 0.00 178.44 178.22 1nqv h PHE 150 N 0.72 0.00 -0.26 1.25 -1.00 -0.13 -0.42 116.94 117.10 1nqv h PHE 150 Ca 0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.05 1nqv h PHE 150 Cb 0.09 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 1nqv h PHE 150 CO -0.06 0.00 0.16 0.87 -1.61 0.00 0.00 178.31 177.67 1nqv h LYS 151 N 0.00 0.35 0.00 1.51 1.57 -0.94 -1.72 116.57 117.33 1nqv h LYS 151 Ca 0.00 -0.02 -0.30 0.00 -1.87 0.00 0.00 60.65 58.46 1nqv h LYS 151 Cb 0.33 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 1nqv h LYS 151 CO 0.00 0.24 -2.22 -1.13 -0.57 0.00 0.00 179.45 175.77 1nqv n SER 152 N -4.49 0.47 0.11 0.86 3.41 -0.68 -4.68 113.62 108.62 1nqv n SER 152 Ca 0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.45 1nqv n SER 152 Cb 0.08 1.05 -0.13 0.00 -0.26 0.00 0.00 64.21 64.95 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 0.51 -0.66 1.04 5.85 -1.01 -3.53 115.31 117.52 1nqv h LEU 153 Ca -0.45 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 57.74 1nqv h LEU 153 Cb 2.01 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.87 1nqv h LEU 153 CO 0.02 1.40 0.00 -1.14 -0.34 0.00 0.00 178.44 178.39