#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqx s GLN 2 N 0.00 4.44 -0.09 2.12 -0.21 -1.26 -5.04 119.66 119.61 1nqx s GLN 2 Ca 0.00 1.09 0.03 0.00 0.02 0.00 0.00 55.36 56.49 1nqx s GLN 2 Cb 0.00 -3.49 0.01 0.00 1.00 0.00 0.00 33.01 30.53 1nqx s GLN 2 CO 0.00 -0.08 -0.17 0.42 -2.12 0.00 0.00 175.29 173.34 1nqx s ILE 3 N 1.25 1.57 -0.08 1.08 1.01 -1.26 -5.12 121.20 119.65 1nqx s ILE 3 Ca 0.42 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.40 1nqx s ILE 3 Cb -0.18 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 1nqx s ILE 3 CO 0.19 0.45 -0.21 -0.31 0.00 0.00 0.00 174.94 175.07 1nqx s TYR 4 N 0.69 2.57 0.15 3.97 2.02 -1.26 -5.12 117.35 120.38 1nqx s TYR 4 Ca -0.13 -0.67 -0.17 0.00 -0.37 0.00 0.00 57.07 55.73 1nqx s TYR 4 Cb -0.16 -1.67 0.04 0.00 -0.40 0.00 0.00 41.96 39.77 1nqx s TYR 4 CO 0.03 -0.19 0.46 -1.83 -1.57 0.00 0.00 175.55 172.46 1nqx s GLU 5 N -0.06 1.19 -0.18 -0.62 -1.05 -1.26 -5.11 118.70 111.60 1nqx s GLU 5 Ca -0.05 -0.72 -0.08 0.00 -0.15 0.00 0.00 54.97 53.97 1nqx s GLU 5 Cb -0.14 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 1nqx s GLU 5 CO 0.04 -0.48 0.07 0.20 0.95 0.00 0.00 175.26 176.04 1nqx s GLY 6 N -2.82 1.94 1.02 -3.83 0.00 -1.26 -4.46 107.32 97.91 1nqx s GLY 6 Ca 0.05 -0.73 -0.15 0.00 0.00 0.00 0.00 44.72 43.88 1nqx s GLY 6 CO -0.09 0.03 1.17 0.54 0.00 0.00 0.00 173.10 174.74 1nqx s LYS 7 N 0.26 0.23 -0.06 2.90 1.02 -1.26 -4.86 119.74 117.98 1nqx s LYS 7 Ca 0.05 0.03 0.12 0.00 0.02 0.00 0.00 55.97 56.18 1nqx s LYS 7 Cb -0.12 -1.76 0.36 0.00 -0.52 0.00 0.00 37.83 35.79 1nqx s LYS 7 CO -0.00 -2.76 1.29 1.28 -0.92 0.00 0.00 175.35 174.25 1nqx n LEU 8 N -4.10 3.18 -4.75 3.17 4.77 -1.26 -4.10 117.00 113.90 1nqx n LEU 8 Ca 0.11 -2.33 -0.39 0.00 -0.03 0.00 0.00 56.01 53.37 1nqx n LEU 8 Cb 0.59 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1nqx n LEU 8 CO 0.51 0.70 0.33 0.42 -1.33 0.00 0.00 177.39 178.03 1nqx s THR 9 N -1.58 4.91 -0.98 -5.08 -4.23 -1.26 -4.86 115.64 102.56 1nqx s THR 9 Ca 0.28 1.33 0.15 0.00 -1.18 0.00 0.00 61.69 62.27 1nqx s THR 9 Cb 0.19 -3.98 0.47 0.00 1.34 0.00 0.00 72.50 70.52 1nqx s THR 9 CO 0.13 0.38 1.39 0.00 -0.54 0.00 0.00 174.62 175.98 1nqx n ALA 10 N 2.94 2.51 -1.65 3.99 0.00 0.92 -4.97 120.51 124.25 1nqx n ALA 10 Ca -0.05 -1.46 -0.48 0.00 0.00 0.00 0.00 53.44 51.45 1nqx n ALA 10 Cb 0.51 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 1nqx n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1nqx n GLU 11 N 0.61 1.88 -0.65 0.00 2.13 -1.23 -1.64 120.64 121.73 1nqx n GLU 11 Ca 0.18 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1nqx n GLU 11 Cb 0.62 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.91 1nqx n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nqx n GLY 12 N 3.38 1.60 3.85 8.31 0.00 -1.26 -4.99 105.19 116.08 1nqx n GLY 12 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1nqx n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nqx s LEU 13 N 0.00 4.03 -0.10 0.99 1.43 -0.65 -5.06 118.68 119.32 1nqx s LEU 13 Ca 0.00 1.34 0.02 0.00 -1.03 0.00 0.00 54.13 54.46 1nqx s LEU 13 Cb 0.00 -4.16 0.01 0.00 0.03 0.00 0.00 46.19 42.07 1nqx s LEU 13 CO 0.00 -0.24 -0.15 -0.13 0.23 0.00 0.00 176.35 176.06 1nqx s ARG 14 N -3.07 2.11 0.03 1.70 0.52 -1.26 -4.63 118.95 114.34 1nqx s ARG 14 Ca 0.55 -0.53 0.08 0.00 -0.52 0.00 0.00 55.73 55.32 1nqx s ARG 14 Cb -0.10 -1.78 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 1nqx s ARG 14 CO 0.17 -0.03 -0.23 -0.06 0.02 0.00 0.00 175.30 175.17 1nqx s PHE 15 N 0.90 2.06 -0.12 -0.53 0.40 -0.73 -0.48 117.98 119.48 1nqx s PHE 15 Ca -0.09 -0.39 -0.03 0.00 -0.60 0.00 0.00 56.93 55.82 1nqx s PHE 15 Cb -0.15 -1.25 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 1nqx s PHE 15 CO 0.00 0.07 0.00 0.20 0.70 0.00 0.00 175.22 176.20 1nqx s GLY 16 N -1.05 1.82 -0.10 4.36 0.00 -0.50 -0.79 107.32 111.05 1nqx s GLY 16 Ca 0.09 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 44.05 1nqx s GLY 16 CO 0.01 -0.30 -0.22 -0.42 0.00 0.00 0.00 173.10 172.17 1nqx s ILE 17 N -0.27 1.92 -0.19 0.90 1.01 0.36 -0.02 121.20 124.91 1nqx s ILE 17 Ca 0.06 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 1nqx s ILE 17 Cb -0.12 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 1nqx s ILE 17 CO 0.02 0.53 -0.09 -0.69 0.00 0.00 0.00 174.94 174.71 1nqx s VAL 18 N 0.50 3.09 -0.08 2.92 1.01 -0.48 -0.75 120.40 126.61 1nqx s VAL 18 Ca -0.16 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1nqx s VAL 18 Cb -0.17 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.86 1nqx s VAL 18 CO 0.06 0.47 -0.10 0.00 0.00 0.00 0.00 175.10 175.53 1nqx s ALA 19 N 1.16 1.23 0.59 5.51 0.00 -0.06 -0.73 121.76 129.45 1nqx s ALA 19 Ca 0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 1nqx s ALA 19 Cb -0.14 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1nqx s ALA 19 CO -0.03 -0.07 0.96 -1.54 0.00 0.00 0.00 175.76 175.09 1nqx s SER 20 N 1.02 6.15 0.05 0.00 1.04 -0.89 -1.84 113.70 119.23 1nqx s SER 20 Ca -0.08 1.24 0.21 0.00 0.48 0.00 0.00 55.95 57.80 1nqx s SER 20 Cb -0.15 -2.34 -0.18 0.00 0.10 0.00 0.00 66.02 63.45 1nqx s SER 20 CO -0.00 -0.83 0.69 0.54 0.98 0.00 0.00 173.24 174.61 1nqx n ARG 21 N -2.63 0.64 -1.92 4.02 1.74 0.18 -4.77 116.66 113.91 1nqx n ARG 21 Ca 0.05 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.71 1nqx n ARG 21 Cb 0.55 -1.67 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 1nqx n ARG 21 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1nqx s PHE 22 N -3.28 2.85 -1.45 -1.55 5.36 -0.45 -1.33 117.98 118.13 1nqx s PHE 22 Ca -0.05 1.08 -0.06 0.00 -0.96 0.00 0.00 56.93 56.94 1nqx s PHE 22 Cb 0.11 -3.91 0.01 0.00 -0.34 0.00 0.00 43.02 38.89 1nqx s PHE 22 CO 0.85 -2.83 0.73 0.09 -1.46 0.00 0.00 175.22 172.60 1nqx n ASN 23 N 1.52 -6.04 0.18 6.13 3.02 -1.26 -4.53 115.26 114.28 1nqx n ASN 23 Ca 0.04 -0.34 0.14 0.00 -0.03 0.00 0.00 54.58 54.40 1nqx n ASN 23 Cb 0.40 -4.80 0.73 0.00 -0.61 0.00 0.00 39.78 35.49 1nqx n ASN 23 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 1nqx h HIS 24 N -1.67 0.00 0.00 3.10 2.07 -1.51 0.10 115.15 117.25 1nqx h HIS 24 Ca -0.52 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 56.99 1nqx h HIS 24 Cb 1.35 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.33 1nqx h HIS 24 CO 0.50 0.00 -0.07 0.00 -3.07 0.00 0.00 177.93 175.29 1nqx h ALA 25 N 1.87 1.40 0.03 6.11 0.00 -1.90 0.21 119.26 126.98 1nqx h ALA 25 Ca 0.09 -0.06 -0.38 0.00 0.00 0.00 0.00 54.91 54.56 1nqx h ALA 25 Cb 0.39 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1nqx h ALA 25 CO -0.00 0.09 -2.18 1.28 0.00 0.00 0.00 179.25 178.43 1nqx n LEU 26 N -3.74 2.44 -0.35 0.00 4.77 -0.10 -4.32 117.00 115.70 1nqx n LEU 26 Ca -0.02 0.16 0.02 0.00 -0.03 0.00 0.00 56.01 56.14 1nqx n LEU 26 Cb 0.17 -0.95 0.17 0.00 -2.33 0.00 0.00 43.42 40.48 1nqx n LEU 26 CO 0.29 0.71 1.23 0.58 -1.33 0.00 0.00 177.39 178.88 1nqx h VAL 27 N -0.42 1.05 -0.15 4.08 2.07 -0.94 -1.50 116.25 120.45 1nqx h VAL 27 Ca -0.54 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 66.63 1nqx h VAL 27 Cb 1.76 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1nqx h VAL 27 CO -0.16 0.20 0.10 0.44 0.02 0.00 0.00 177.57 178.17 1nqx h ASP 28 N 1.08 0.08 -0.26 0.57 3.32 -0.80 0.11 116.42 120.52 1nqx h ASP 28 Ca 0.42 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.29 1nqx h ASP 28 Cb 0.20 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1nqx h ASP 28 CO -0.18 0.06 -0.50 0.03 -1.72 0.00 0.00 179.24 176.92 1nqx h ARG 29 N 0.09 0.84 -0.87 3.56 2.47 -1.47 -2.04 114.38 116.97 1nqx h ARG 29 Ca 0.06 -0.51 -0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1nqx h ARG 29 Cb 0.14 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.46 1nqx h ARG 29 CO -0.01 1.14 0.53 -0.07 0.56 0.00 0.00 179.97 182.12 1nqx h LEU 30 N 0.66 1.04 -0.39 3.04 3.38 -0.88 -1.00 115.31 121.15 1nqx h LEU 30 Ca 0.03 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1nqx h LEU 30 Cb 1.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1nqx h LEU 30 CO 0.11 0.80 0.01 0.58 0.09 0.00 0.00 178.44 180.02 1nqx h VAL 31 N 1.19 1.26 -0.77 1.22 2.07 -0.98 -0.47 116.25 119.77 1nqx h VAL 31 Ca 0.31 -0.99 0.07 0.00 0.82 0.00 0.00 66.70 66.91 1nqx h VAL 31 Cb -0.05 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 1nqx h VAL 31 CO -0.06 0.33 0.44 -0.33 0.02 0.00 0.00 177.57 177.98 1nqx h GLU 32 N 0.52 0.77 -0.42 1.57 5.08 -1.19 -1.25 114.58 119.66 1nqx h GLU 32 Ca 0.11 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1nqx h GLU 32 Cb 0.46 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1nqx h GLU 32 CO 0.02 0.51 0.10 0.78 -1.00 0.00 0.00 179.01 179.42 1nqx h GLY 33 N 0.79 0.73 0.97 -3.84 0.00 -0.74 -1.23 103.07 99.75 1nqx h GLY 33 Ca 0.35 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1nqx h GLY 33 CO -0.20 0.43 0.23 0.00 0.00 0.00 0.00 176.54 176.99 1nqx h ALA 34 N 0.96 0.56 -0.36 3.60 0.00 -0.66 -0.80 119.26 122.55 1nqx h ALA 34 Ca 0.13 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1nqx h ALA 34 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1nqx h ALA 34 CO 0.00 0.10 -0.06 0.82 0.00 0.00 0.00 179.25 180.11 1nqx h ILE 35 N 0.57 1.27 -0.58 0.00 2.04 -1.15 -1.69 117.51 117.98 1nqx h ILE 35 Ca 0.15 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 64.95 1nqx h ILE 35 Cb 0.07 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1nqx h ILE 35 CO -0.02 0.36 0.33 -0.78 0.00 0.00 0.00 178.15 178.04 1nqx h ASP 36 N 0.48 0.52 -0.28 1.72 3.58 -1.10 -0.28 116.42 121.06 1nqx h ASP 36 Ca 0.10 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.57 1nqx h ASP 36 Cb 0.55 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1nqx h ASP 36 CO 0.03 0.36 0.15 0.00 -2.88 0.00 0.00 179.24 176.90 1nqx h ILE 38 N 0.31 0.87 -0.53 0.00 2.04 -0.79 -2.32 117.51 117.08 1nqx h ILE 38 Ca 0.11 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1nqx h ILE 38 Cb 0.02 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1nqx h ILE 38 CO -0.07 0.03 0.22 0.58 0.00 0.00 0.00 178.15 178.91 1nqx h VAL 39 N -0.29 1.22 0.00 1.67 2.07 -0.87 -0.51 116.25 119.53 1nqx h VAL 39 Ca -0.02 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1nqx h VAL 39 Cb 0.23 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1nqx h VAL 39 CO 0.04 0.26 0.00 0.54 0.02 0.00 0.00 177.57 178.42 1nqx n ARG 40 N -4.53 0.04 -0.13 1.57 1.74 -0.29 -1.60 116.66 113.46 1nqx n ARG 40 Ca 0.02 0.04 0.09 0.00 -0.77 0.00 0.00 57.85 57.24 1nqx n ARG 40 Cb 0.16 -1.55 0.29 0.00 -1.02 0.00 0.00 32.46 30.34 1nqx n ARG 40 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1nqx n HIS 41 N -1.62 0.36 0.00 -1.55 8.25 -0.88 -4.94 115.22 114.84 1nqx n HIS 41 Ca 0.07 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1nqx n HIS 41 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 1nqx n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqx n GLY 42 N 1.18 0.55 3.79 -1.41 0.00 -0.62 -0.05 105.19 108.63 1nqx n GLY 42 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1nqx n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqx s GLY 43 N -0.92 2.59 0.01 -0.02 0.00 -0.23 -3.57 107.32 105.17 1nqx s GLY 43 Ca 0.00 0.62 -0.18 0.00 0.00 0.00 0.00 44.72 45.16 1nqx s GLY 43 CO 0.00 0.97 0.50 0.50 0.00 0.00 0.00 173.10 175.07 1nqx s ARG 44 N -2.93 4.13 0.50 2.90 0.52 -1.26 -4.12 118.95 118.69 1nqx s ARG 44 Ca 0.63 0.57 0.18 0.00 -0.52 0.00 0.00 55.73 56.59 1nqx s ARG 44 Cb -0.18 -3.27 1.25 0.00 0.52 0.00 0.00 34.95 33.27 1nqx s ARG 44 CO 0.22 0.56 2.10 1.05 0.02 0.00 0.00 175.30 179.25 1nqx h GLU 45 N 5.04 0.00 0.00 3.54 -0.00 -1.95 -0.58 114.58 120.63 1nqx h GLU 45 Ca -0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 58.87 1nqx h GLU 45 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.96 1nqx h GLU 45 CO 0.65 0.08 -0.00 0.93 -0.00 0.00 0.00 179.01 180.66 1nqx h GLU 46 N 0.00 0.00 -0.52 1.06 3.07 -2.00 -1.95 114.58 114.24 1nqx h GLU 46 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1nqx h GLU 46 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1nqx h GLU 46 CO 0.01 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.37 1nqx n ASP 47 N -3.10 2.76 -4.80 1.42 8.00 -0.22 -4.84 116.55 115.77 1nqx n ASP 47 Ca -0.01 -2.10 -0.36 0.00 0.71 0.00 0.00 54.79 53.03 1nqx n ASP 47 Cb 0.20 -0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 40.86 1nqx n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nqx s ILE 48 N -1.50 5.32 -0.18 0.53 1.01 -0.74 -1.76 121.20 123.88 1nqx s ILE 48 Ca 0.32 0.15 -0.00 0.00 0.00 0.00 0.00 60.65 61.11 1nqx s ILE 48 Cb 0.18 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 39.31 1nqx s ILE 48 CO 0.19 0.55 -0.15 -0.89 0.00 0.00 0.00 174.94 174.65 1nqx s THR 49 N -0.51 2.53 -0.18 2.92 2.01 0.03 -4.99 115.64 117.45 1nqx s THR 49 Ca 0.12 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 1nqx s THR 49 Cb -0.12 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1nqx s THR 49 CO 0.02 0.51 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.22 1nqx s LEU 50 N 1.18 3.26 -0.13 4.42 2.96 -1.26 -0.48 118.68 128.62 1nqx s LEU 50 Ca 0.02 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1nqx s LEU 50 Cb -0.14 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.75 1nqx s LEU 50 CO -0.07 0.12 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.19 1nqx s VAL 51 N 0.64 2.23 -0.10 1.68 1.01 0.07 -4.98 120.40 120.96 1nqx s VAL 51 Ca -0.01 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 1nqx s VAL 51 Cb -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1nqx s VAL 51 CO 0.02 0.54 0.13 -0.13 0.00 0.00 0.00 175.10 175.67 1nqx s ARG 52 N 0.70 3.40 0.12 2.72 0.52 -1.26 -0.88 118.95 124.27 1nqx s ARG 52 Ca -0.09 -0.18 0.01 0.00 -0.52 0.00 0.00 55.73 54.95 1nqx s ARG 52 Cb -0.16 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 1nqx s ARG 52 CO 0.01 0.76 -0.03 0.14 0.02 0.00 0.00 175.30 176.20 1nqx s VAL 53 N -1.06 0.58 0.07 3.52 -7.23 -0.77 -4.95 120.40 110.56 1nqx s VAL 53 Ca 0.17 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.12 1nqx s VAL 53 Cb -0.12 -1.83 -0.17 0.00 0.56 0.00 0.00 36.38 34.82 1nqx s VAL 53 CO 0.06 -0.73 1.60 -0.65 -0.31 0.00 0.00 175.10 175.06 1nqx h PRO 54 N 2.90 -0.52 -4.73 4.82 0.11 -1.94 0.53 132.00 133.18 1nqx h PRO 54 Ca -0.36 0.04 -0.35 0.00 0.11 0.00 0.00 66.00 65.44 1nqx h PRO 54 Cb 1.18 0.12 -0.14 0.00 0.11 0.00 0.00 31.00 32.26 1nqx h PRO 54 CO 0.64 -0.31 -0.56 0.20 -0.21 0.00 0.00 178.00 177.76 1nqx s GLY 55 N -2.22 1.85 0.42 -0.55 0.00 -1.26 -1.34 107.32 104.22 1nqx s GLY 55 Ca -0.16 -1.87 0.13 0.00 0.00 0.00 0.00 44.72 42.82 1nqx s GLY 55 CO 0.62 -1.43 1.96 1.76 0.00 0.00 0.00 173.10 176.01 1nqx h SER 56 N 2.39 0.43 -0.95 1.64 0.02 -1.91 -1.22 113.55 113.95 1nqx h SER 56 Ca -0.31 0.01 0.16 0.00 -0.84 0.00 0.00 61.79 60.82 1nqx h SER 56 Cb 1.24 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.62 1nqx h SER 56 CO 0.45 0.25 0.60 -0.25 -1.14 0.00 0.00 176.83 176.75 1nqx h TRP 57 N 0.48 0.92 -0.00 3.45 2.91 -1.96 -1.56 115.95 120.19 1nqx h TRP 57 Ca 0.31 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.36 1nqx h TRP 57 Cb 0.58 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.94 1nqx h TRP 57 CO -0.00 0.29 -0.24 0.39 -1.03 0.00 0.00 178.44 177.85 1nqx n GLU 58 N -4.63 0.31 -0.01 2.65 4.71 -0.47 -4.28 120.64 118.92 1nqx n GLU 58 Ca 0.20 -0.13 -0.10 0.00 -0.01 0.00 0.00 57.16 57.12 1nqx n GLU 58 Cb 0.51 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.40 1nqx n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1nqx h ILE 59 N 0.32 0.88 -0.26 -3.67 2.04 -1.20 -3.18 117.51 112.44 1nqx h ILE 59 Ca 0.00 -0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1nqx h ILE 59 Cb 0.46 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1nqx h ILE 59 CO 0.00 0.00 -0.05 -0.65 0.00 0.00 0.00 178.15 177.45 1nqx h PRO 60 N 0.00 0.01 -0.61 2.37 0.11 -1.76 0.84 132.00 132.96 1nqx h PRO 60 Ca 0.06 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1nqx h PRO 60 Cb 0.09 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.16 1nqx h PRO 60 CO -0.12 0.01 0.31 -0.24 -0.21 0.00 0.00 178.00 177.74 1nqx h VAL 61 N 0.01 1.20 -0.32 3.15 3.04 -1.84 0.73 116.25 122.21 1nqx h VAL 61 Ca 0.12 -0.53 -0.16 0.00 -1.01 0.00 0.00 66.70 65.13 1nqx h VAL 61 Cb 0.19 0.40 -0.00 0.00 -2.01 0.00 0.00 31.29 29.86 1nqx h VAL 61 CO -0.26 0.22 -0.42 0.00 -1.01 0.00 0.00 177.57 176.10 1nqx h ALA 62 N 1.48 0.48 -0.49 3.17 0.00 -1.45 -3.03 119.26 119.42 1nqx h ALA 62 Ca 0.22 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1nqx h ALA 62 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1nqx h ALA 62 CO -0.03 0.61 0.23 0.00 0.00 0.00 0.00 179.25 180.06 1nqx h ALA 63 N 0.71 1.50 -0.64 0.00 0.00 -0.18 -1.90 119.26 118.74 1nqx h ALA 63 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1nqx h ALA 63 Cb 1.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1nqx h ALA 63 CO 0.10 0.40 0.33 0.78 0.00 0.00 0.00 179.25 180.86 1nqx h GLY 64 N 0.79 0.96 1.04 0.00 0.00 -0.79 0.18 103.07 105.25 1nqx h GLY 64 Ca 0.17 -0.44 -0.18 0.00 0.00 0.00 0.00 47.33 46.88 1nqx h GLY 64 CO -0.02 0.42 -0.61 0.83 0.00 0.00 0.00 176.54 177.16 1nqx h GLU 65 N 0.90 0.70 -0.44 4.80 4.39 -1.26 -2.84 114.58 120.83 1nqx h GLU 65 Ca 0.23 -0.54 -0.09 0.00 0.34 0.00 0.00 59.36 59.30 1nqx h GLU 65 Cb 0.06 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1nqx h GLU 65 CO -0.03 1.15 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.82 1nqx h LEU 66 N 0.39 0.84 -1.74 1.33 3.38 -1.09 -2.94 115.31 115.48 1nqx h LEU 66 Ca -0.03 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1nqx h LEU 66 Cb 1.24 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1nqx h LEU 66 CO 0.13 1.00 -0.05 0.00 0.09 0.00 0.00 178.44 179.60 1nqx h ALA 67 N 0.87 1.04 0.00 1.53 0.00 -0.68 -1.70 119.26 120.32 1nqx h ALA 67 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nqx h ALA 67 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1nqx h ALA 67 CO 0.04 0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.89 1nqx n ARG 68 N -3.21 0.04 -2.40 0.00 1.74 -1.07 -4.80 116.66 106.96 1nqx n ARG 68 Ca -0.00 0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 1nqx n ARG 68 Cb 0.27 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 1nqx n ARG 68 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1nqx s LYS 69 N -3.02 4.39 0.51 5.56 1.02 -0.64 -4.91 119.74 122.64 1nqx s LYS 69 Ca 0.12 1.77 0.28 0.00 0.02 0.00 0.00 55.97 58.17 1nqx s LYS 69 Cb 0.17 -3.43 1.32 0.00 -0.52 0.00 0.00 37.83 35.37 1nqx s LYS 69 CO 0.50 -0.35 2.00 1.49 -0.92 0.00 0.00 175.35 178.07 1nqx h GLU 70 N 7.11 0.00 -0.65 1.68 4.81 -1.88 -2.41 114.58 123.25 1nqx h GLU 70 Ca -0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1nqx h GLU 70 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1nqx h GLU 70 CO 0.84 0.14 0.00 -0.40 -0.73 0.00 0.00 179.01 178.86 1nqx n ASP 71 N -3.47 4.01 -4.30 1.04 5.75 -1.26 -4.79 116.55 113.53 1nqx n ASP 71 Ca -0.01 -2.47 -0.34 0.00 -0.01 0.00 0.00 54.79 51.96 1nqx n ASP 71 Cb 0.30 -0.55 -0.14 0.00 -1.03 0.00 0.00 41.12 39.69 1nqx n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1nqx s ILE 72 N -1.97 3.05 -0.10 2.12 -1.09 -0.91 -4.75 121.20 117.54 1nqx s ILE 72 Ca 0.39 -0.62 0.15 0.00 -2.23 0.00 0.00 60.65 58.34 1nqx s ILE 72 Cb 0.27 -2.34 -0.10 0.00 -1.58 0.00 0.00 42.46 38.72 1nqx s ILE 72 CO 0.16 0.48 1.02 0.44 -1.23 0.00 0.00 174.94 175.80 1nqx h ASP 73 N 7.62 0.00 -4.85 3.58 3.32 -1.09 -3.46 116.42 121.53 1nqx h ASP 73 Ca -0.37 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 1nqx h ASP 73 Cb 1.17 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.56 1nqx h ASP 73 CO 0.59 0.63 0.28 0.00 -1.72 0.00 0.00 179.24 179.02 1nqx s ALA 74 N -2.89 -1.74 -0.05 3.45 0.00 -1.23 -4.46 121.76 114.85 1nqx s ALA 74 Ca -0.01 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.04 1nqx s ALA 74 Cb 0.08 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 1nqx s ALA 74 CO 0.80 -0.54 -0.24 0.08 0.00 0.00 0.00 175.76 175.86 1nqx s VAL 75 N -2.30 2.18 -0.23 0.00 1.01 -0.70 -1.42 120.40 118.95 1nqx s VAL 75 Ca -0.04 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1nqx s VAL 75 Cb -0.01 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.59 1nqx s VAL 75 CO -0.01 0.57 -0.05 -0.63 0.00 0.00 0.00 175.10 174.98 1nqx s ILE 76 N -0.34 3.18 -0.15 2.22 1.01 0.97 -0.13 121.20 127.97 1nqx s ILE 76 Ca 0.02 -0.71 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 1nqx s ILE 76 Cb -0.12 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1nqx s ILE 76 CO 0.02 0.32 0.35 0.00 0.00 0.00 0.00 174.94 175.64 1nqx s ALA 77 N 1.42 3.55 -0.08 9.38 0.00 -0.70 -1.39 121.76 133.95 1nqx s ALA 77 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1nqx s ALA 77 Cb -0.15 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.51 1nqx s ALA 77 CO -0.04 0.04 -0.06 0.42 0.00 0.00 0.00 175.76 176.12 1nqx s ILE 78 N 0.58 0.80 0.20 0.00 1.01 0.09 0.25 121.20 124.12 1nqx s ILE 78 Ca 0.19 -0.20 -0.24 0.00 0.00 0.00 0.00 60.65 60.41 1nqx s ILE 78 Cb -0.14 -0.83 0.05 0.00 0.01 0.00 0.00 42.46 41.55 1nqx s ILE 78 CO 0.06 0.31 0.87 -0.83 0.00 0.00 0.00 174.94 175.36 1nqx s GLY 79 N 1.41 -0.19 -0.13 6.18 0.00 -1.10 -2.10 107.32 111.40 1nqx s GLY 79 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 44.72 44.66 1nqx s GLY 79 CO -0.04 -0.03 0.01 0.14 0.00 0.00 0.00 173.10 173.18 1nqx s VAL 80 N -3.51 0.51 -0.17 1.40 1.01 -1.26 -1.19 120.40 117.19 1nqx s VAL 80 Ca 0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 1nqx s VAL 80 Cb -0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1nqx s VAL 80 CO 0.04 0.08 0.01 -0.76 0.00 0.00 0.00 175.10 174.47 1nqx s LEU 81 N 1.90 3.51 -0.09 3.92 1.43 0.41 -4.73 118.68 125.03 1nqx s LEU 81 Ca 0.03 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1nqx s LEU 81 Cb -0.14 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.22 1nqx s LEU 81 CO -0.07 0.17 -0.17 -0.63 0.23 0.00 0.00 176.35 175.88 1nqx s ILE 82 N 0.39 1.52 0.24 -0.59 1.01 -1.26 -0.42 121.20 122.09 1nqx s ILE 82 Ca -0.01 -0.69 -0.31 0.00 0.00 0.00 0.00 60.65 59.65 1nqx s ILE 82 Cb -0.13 -1.36 -0.11 0.00 0.01 0.00 0.00 42.46 40.87 1nqx s ILE 82 CO 0.02 0.44 1.62 -0.60 0.00 0.00 0.00 174.94 176.42 1nqx s ARG 83 N 0.67 4.15 0.00 2.79 3.52 -0.29 -4.92 118.95 124.87 1nqx s ARG 83 Ca -0.13 2.53 0.00 0.00 -0.13 0.00 0.00 55.73 57.99 1nqx s ARG 83 Cb -0.16 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 1nqx s ARG 83 CO 0.04 -0.65 0.00 0.41 -0.81 0.00 0.00 175.30 174.29 1nqx n GLY 84 N 3.03 1.91 0.14 8.12 0.00 -1.26 -4.81 105.19 112.31 1nqx n GLY 84 Ca 0.12 -1.95 0.02 0.00 0.00 0.00 0.00 46.02 44.20 1nqx n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqx h ALA 85 N -1.00 0.68 -1.54 4.61 0.00 -2.01 -3.47 119.26 116.54 1nqx h ALA 85 Ca 0.00 -0.50 -0.51 0.00 0.00 0.00 0.00 54.91 53.90 1nqx h ALA 85 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1nqx h ALA 85 CO 0.00 0.69 -0.40 0.95 0.00 0.00 0.00 179.25 180.49 1nqx s THR 86 N -3.03 2.60 -2.00 0.00 -4.23 -1.26 -5.01 115.64 102.71 1nqx s THR 86 Ca 0.03 -1.42 0.07 0.00 -1.18 0.00 0.00 61.69 59.19 1nqx s THR 86 Cb 0.08 -3.00 0.20 0.00 1.34 0.00 0.00 72.50 71.12 1nqx s THR 86 CO 0.75 -0.00 0.97 -0.81 -0.54 0.00 0.00 174.62 174.98 1nqx n PRO 87 N -1.48 0.65 -0.26 3.99 -0.04 -1.26 -4.11 135.00 132.49 1nqx n PRO 87 Ca 0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 1nqx n PRO 87 Cb 0.62 -1.17 0.20 0.00 -0.04 0.00 0.00 33.50 33.12 1nqx n PRO 87 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1nqx h HIS 88 N 0.00 0.32 -0.77 0.54 2.76 -1.96 -0.45 115.15 115.60 1nqx h HIS 88 Ca 0.00 0.04 0.17 0.00 -2.20 0.00 0.00 60.37 58.39 1nqx h HIS 88 Cb 0.00 -0.02 -0.12 0.00 1.55 0.00 0.00 27.41 28.82 1nqx h HIS 88 CO 0.00 -0.09 0.18 0.35 -1.30 0.00 0.00 177.93 177.07 1nqx h PHE 89 N 0.28 0.28 -0.24 5.26 3.57 -1.92 -1.49 116.94 122.68 1nqx h PHE 89 Ca 0.44 0.04 0.02 0.00 3.53 0.00 0.00 57.97 62.01 1nqx h PHE 89 Cb 0.78 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 1nqx h PHE 89 CO -0.25 -0.11 0.09 -0.44 -2.23 0.00 0.00 178.31 175.37 1nqx h ASP 90 N 0.26 0.12 -0.34 0.41 3.45 -1.38 -0.07 116.42 118.86 1nqx h ASP 90 Ca 0.44 0.02 -0.16 0.00 0.43 0.00 0.00 57.03 57.76 1nqx h ASP 90 Cb 0.79 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.55 1nqx h ASP 90 CO -0.54 0.10 -0.42 1.88 -1.57 0.00 0.00 179.24 178.69 1nqx h TYR 91 N 0.21 1.07 -0.01 4.55 -1.99 -1.31 -0.67 116.97 118.83 1nqx h TYR 91 Ca 0.10 -0.34 -0.00 0.00 2.00 0.00 0.00 58.73 60.49 1nqx h TYR 91 Cb 0.06 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 38.57 1nqx h TYR 91 CO -0.11 1.16 0.00 0.82 -0.00 0.00 0.00 178.16 180.03 1nqx h ILE 92 N 0.68 1.19 -0.90 -2.88 1.08 -1.20 -1.96 117.51 113.51 1nqx h ILE 92 Ca 0.04 -0.56 0.06 0.00 -0.39 0.00 0.00 64.86 64.01 1nqx h ILE 92 Cb 1.01 1.56 -0.06 0.00 -3.07 0.00 0.00 36.82 36.27 1nqx h ILE 92 CO 0.10 0.15 0.59 0.00 -0.69 0.00 0.00 178.15 178.30 1nqx h ALA 93 N 0.77 1.49 -0.25 1.87 0.00 -1.00 0.87 119.26 123.01 1nqx h ALA 93 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1nqx h ALA 93 Cb 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1nqx h ALA 93 CO 0.00 0.39 0.03 0.77 0.00 0.00 0.00 179.25 180.43 1nqx h SER 94 N 1.05 0.41 0.69 0.00 0.02 -1.03 -2.16 113.55 112.54 1nqx h SER 94 Ca 0.38 -0.28 -0.15 0.00 -0.84 0.00 0.00 61.79 60.90 1nqx h SER 94 Cb 0.15 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1nqx h SER 94 CO -0.14 0.58 -0.72 -0.33 -1.14 0.00 0.00 176.83 175.09 1nqx h GLU 95 N 0.22 0.03 -0.23 3.45 4.39 -0.96 -0.69 114.58 120.79 1nqx h GLU 95 Ca 0.07 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 1nqx h GLU 95 Cb 0.36 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1nqx h GLU 95 CO 0.01 0.74 -0.33 -0.24 -1.16 0.00 0.00 179.01 178.02 1nqx h VAL 96 N 0.02 1.32 -0.21 3.13 3.04 -0.81 -1.31 116.25 121.42 1nqx h VAL 96 Ca -0.01 -1.54 -0.04 0.00 -1.01 0.00 0.00 66.70 64.11 1nqx h VAL 96 Cb 1.28 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 32.30 1nqx h VAL 96 CO 0.10 0.48 -0.01 0.77 -1.01 0.00 0.00 177.57 177.90 1nqx h SER 97 N 0.34 0.38 -0.72 3.17 4.64 -1.37 -2.35 113.55 117.63 1nqx h SER 97 Ca 0.02 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1nqx h SER 97 Cb 0.92 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.87 1nqx h SER 97 CO 0.08 0.61 0.37 0.50 -0.87 0.00 0.00 176.83 177.52 1nqx h LYS 98 N 0.14 1.02 -0.20 4.77 3.64 -1.12 -2.19 116.57 122.63 1nqx h LYS 98 Ca 0.06 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1nqx h LYS 98 Cb 0.42 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1nqx h LYS 98 CO 0.01 0.79 0.08 0.78 -2.27 0.00 0.00 179.45 178.84 1nqx h GLY 99 N 1.00 0.33 1.00 5.01 0.00 -1.19 0.20 103.07 109.42 1nqx h GLY 99 Ca 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1nqx h GLY 99 CO -0.04 0.17 0.32 1.41 0.00 0.00 0.00 176.54 178.41 1nqx h LEU 100 N 0.17 0.81 -0.38 3.11 3.38 -1.36 -0.34 115.31 120.69 1nqx h LEU 100 Ca 0.07 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1nqx h LEU 100 Cb 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1nqx h LEU 100 CO -0.01 0.70 -0.11 0.00 0.09 0.00 0.00 178.44 179.11 1nqx h ALA 101 N 1.15 0.53 -0.43 1.53 0.00 -1.21 -1.53 119.26 119.31 1nqx h ALA 101 Ca 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1nqx h ALA 101 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1nqx h ALA 101 CO -0.03 0.40 0.24 -0.91 0.00 0.00 0.00 179.25 178.95 1nqx h ASN 102 N 0.55 0.53 -0.87 0.00 -0.26 -0.82 -2.32 115.58 112.38 1nqx h ASN 102 Ca 0.10 -0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.73 1nqx h ASN 102 Cb 0.63 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.71 1nqx h ASN 102 CO 0.04 0.45 0.47 -0.07 -1.06 0.00 0.00 177.43 177.26 1nqx h LEU 103 N 0.55 1.11 -0.41 1.61 3.38 -0.91 0.62 115.31 121.26 1nqx h LEU 103 Ca 0.15 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1nqx h LEU 103 Cb 0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1nqx h LEU 103 CO -0.03 0.90 0.15 -1.28 0.09 0.00 0.00 178.44 178.27 1nqx h SER 104 N 1.23 0.16 -0.39 -0.43 0.87 -1.00 0.41 113.55 114.41 1nqx h SER 104 Ca 0.31 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.81 1nqx h SER 104 Cb 0.05 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1nqx h SER 104 CO -0.05 0.13 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.18 1nqx h LEU 105 N 0.32 0.79 -0.51 2.23 3.38 -1.09 0.13 115.31 120.56 1nqx h LEU 105 Ca 0.19 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1nqx h LEU 105 Cb 0.17 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1nqx h LEU 105 CO -0.19 0.99 0.15 -0.08 0.09 0.00 0.00 178.44 179.41 1nqx h GLU 106 N 0.58 0.79 -0.02 1.13 4.81 -0.60 -3.00 114.58 118.27 1nqx h GLU 106 Ca 0.09 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1nqx h GLU 106 Cb 0.67 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1nqx h GLU 106 CO 0.05 0.74 -0.02 1.28 -0.73 0.00 0.00 179.01 180.33 1nqx n LEU 107 N -4.48 1.82 -3.95 1.64 4.77 0.11 -4.96 117.00 111.94 1nqx n LEU 107 Ca 0.02 -0.60 -0.28 0.00 -0.03 0.00 0.00 56.01 55.11 1nqx n LEU 107 Cb 0.20 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1nqx n LEU 107 CO 0.39 0.30 -0.23 0.54 -1.33 0.00 0.00 177.39 177.07 1nqx n ARG 108 N 0.39 -2.48 -3.77 3.23 1.74 0.41 -4.98 116.66 111.20 1nqx n ARG 108 Ca 0.17 0.36 -0.13 0.00 -0.77 0.00 0.00 57.85 57.49 1nqx n ARG 108 Cb 0.41 -4.22 -0.12 0.00 -1.02 0.00 0.00 32.46 27.51 1nqx n ARG 108 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1nqx s LYS 109 N -6.60 0.24 0.22 5.56 2.20 -0.89 -5.05 119.74 115.43 1nqx s LYS 109 Ca 0.12 0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 55.82 1nqx s LYS 109 Cb -0.05 0.04 -0.10 0.00 -1.51 0.00 0.00 37.83 36.21 1nqx s LYS 109 CO 0.90 -0.08 1.47 -2.14 -0.36 0.00 0.00 175.35 175.14 1nqx s PRO 110 N 0.54 4.26 -0.13 4.03 0.02 -1.26 -4.48 135.00 137.97 1nqx s PRO 110 Ca -0.03 2.30 -0.01 0.00 0.02 0.00 0.00 61.00 63.28 1nqx s PRO 110 Cb -0.05 -3.13 0.04 0.00 0.02 0.00 0.00 34.50 31.38 1nqx s PRO 110 CO -0.03 -0.46 -0.02 0.42 -0.33 0.00 0.00 177.00 176.57 1nqx s ILE 111 N 0.31 0.76 0.24 2.83 1.01 -1.26 -1.72 121.20 123.38 1nqx s ILE 111 Ca 0.62 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.99 1nqx s ILE 111 Cb -0.42 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 1nqx s ILE 111 CO 0.40 0.15 0.37 0.42 0.00 0.00 0.00 174.94 176.27 1nqx s THR 112 N 1.79 5.25 -0.55 2.92 -4.23 0.81 -4.92 115.64 116.72 1nqx s THR 112 Ca 0.02 -0.88 -0.05 0.00 -1.18 0.00 0.00 61.69 59.61 1nqx s THR 112 Cb -0.14 -3.84 0.14 0.00 1.34 0.00 0.00 72.50 70.00 1nqx s THR 112 CO -0.07 -0.32 0.38 0.12 -0.54 0.00 0.00 174.62 174.20 1nqx s PHE 113 N -1.98 3.49 -0.50 3.99 5.36 -1.26 -1.72 117.98 125.37 1nqx s PHE 113 Ca 0.35 -2.41 0.02 0.00 -0.96 0.00 0.00 56.93 53.93 1nqx s PHE 113 Cb -0.09 -3.32 0.48 0.00 -0.34 0.00 0.00 43.02 39.75 1nqx s PHE 113 CO 0.30 -0.92 1.72 0.41 -1.46 0.00 0.00 175.22 175.27 1nqx n GLY 114 N 4.11 5.77 3.48 13.12 0.00 0.14 -4.72 105.19 127.07 1nqx n GLY 114 Ca 0.02 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 1nqx n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqx s VAL 115 N -4.41 4.72 0.17 1.61 1.01 -1.23 -2.72 120.40 119.55 1nqx s VAL 115 Ca 0.58 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1nqx s VAL 115 Cb 0.47 -3.33 -0.08 0.00 0.00 0.00 0.00 36.38 33.44 1nqx s VAL 115 CO 0.02 0.16 1.12 -0.63 0.00 0.00 0.00 175.10 175.76 1nqx s ILE 116 N 1.65 3.83 -0.50 2.22 1.01 -0.34 -4.93 121.20 124.15 1nqx s ILE 116 Ca 0.06 1.56 0.03 0.00 0.00 0.00 0.00 60.65 62.30 1nqx s ILE 116 Cb -0.16 -4.00 0.14 0.00 0.01 0.00 0.00 42.46 38.45 1nqx s ILE 116 CO 0.07 0.26 0.28 0.42 0.00 0.00 0.00 174.94 175.96 1nqx s THR 117 N -0.15 1.97 -0.02 2.92 -4.23 -1.26 -0.44 115.64 114.43 1nqx s THR 117 Ca 0.50 -3.04 0.00 0.00 -1.18 0.00 0.00 61.69 57.98 1nqx s THR 117 Cb -0.30 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 1nqx s THR 117 CO 0.35 -0.88 0.02 0.00 -0.54 0.00 0.00 174.62 173.57 1nqx s ALA 118 N -0.10 3.37 0.20 3.99 0.00 0.43 -5.01 121.76 124.65 1nqx s ALA 118 Ca 0.19 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1nqx s ALA 118 Cb -0.22 -1.44 0.13 0.00 0.00 0.00 0.00 23.12 21.59 1nqx s ALA 118 CO -0.02 0.64 1.48 -0.44 0.00 0.00 0.00 175.76 177.42 1nqx h ASP 119 N 4.47 0.33 -3.73 0.00 3.32 -1.93 -0.75 116.42 118.12 1nqx h ASP 119 Ca -0.50 -0.21 -0.37 0.00 0.02 0.00 0.00 57.03 55.98 1nqx h ASP 119 Cb 1.18 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.49 1nqx h ASP 119 CO 0.58 0.93 -0.72 0.42 -1.72 0.00 0.00 179.24 178.73 1nqx s THR 120 N -3.59 1.33 0.21 0.35 -4.23 -1.26 -4.01 115.64 104.45 1nqx s THR 120 Ca -0.04 -2.10 -0.09 0.00 -1.18 0.00 0.00 61.69 58.27 1nqx s THR 120 Cb 0.11 -1.94 0.17 0.00 1.34 0.00 0.00 72.50 72.18 1nqx s THR 120 CO 0.82 -0.68 1.85 0.25 -0.54 0.00 0.00 174.62 176.32 1nqx h LEU 121 N 2.69 0.97 -0.53 4.79 5.85 -1.91 -2.26 115.31 124.92 1nqx h LEU 121 Ca -0.37 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.35 1nqx h LEU 121 Cb 1.20 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 1nqx h LEU 121 CO 0.63 0.76 0.18 -0.08 -0.34 0.00 0.00 178.44 179.59 1nqx h GLU 122 N 1.10 0.34 -0.56 1.25 4.81 -1.99 0.18 114.58 119.71 1nqx h GLU 122 Ca 0.28 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1nqx h GLU 122 Cb -0.02 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1nqx h GLU 122 CO -0.05 0.22 0.27 1.96 -0.73 0.00 0.00 179.01 180.68 1nqx h GLN 123 N 0.35 0.78 -0.32 1.92 4.20 -1.86 -0.93 115.11 119.25 1nqx h GLN 123 Ca 0.26 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 1nqx h GLN 123 Cb 0.31 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1nqx h GLN 123 CO -0.28 0.60 -0.16 0.00 -0.67 0.00 0.00 178.83 178.32 1nqx h ALA 124 N 1.52 0.45 -0.82 3.87 0.00 -0.71 -2.77 119.26 120.79 1nqx h ALA 124 Ca 0.20 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1nqx h ALA 124 Cb 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1nqx h ALA 124 CO -0.03 0.37 0.50 0.82 0.00 0.00 0.00 179.25 180.91 1nqx h ILE 125 N 0.44 1.23 -0.42 0.00 2.04 -0.56 -1.86 117.51 118.38 1nqx h ILE 125 Ca 0.07 -0.50 0.07 0.00 1.00 0.00 0.00 64.86 65.49 1nqx h ILE 125 Cb 0.69 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1nqx h ILE 125 CO 0.05 0.24 0.29 -0.33 0.00 0.00 0.00 178.15 178.40 1nqx h GLU 126 N 1.13 0.29 -0.17 2.37 5.08 -1.03 -2.44 114.58 119.80 1nqx h GLU 126 Ca 0.30 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1nqx h GLU 126 Cb -0.04 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1nqx h GLU 126 CO -0.06 0.19 0.00 0.54 -1.00 0.00 0.00 179.01 178.69 1nqx n ARG 127 N -4.47 2.30 -2.25 2.33 1.74 -0.75 -0.34 116.66 115.21 1nqx n ARG 127 Ca 0.06 -2.03 -0.30 0.00 -0.77 0.00 0.00 57.85 54.81 1nqx n ARG 127 Cb 0.28 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 1nqx n ARG 127 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nqx n ALA 128 N 1.35 5.46 -0.07 7.54 0.00 -0.88 -1.30 120.51 132.60 1nqx n ALA 128 Ca 0.16 -4.19 0.00 0.00 0.00 0.00 0.00 53.44 49.41 1nqx n ALA 128 Cb 0.58 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1nqx n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqx n GLY 129 N -0.54 1.04 0.00 0.00 0.00 0.55 -4.72 105.19 101.52 1nqx n GLY 129 Ca 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1nqx n GLY 129 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nqx n THR 130 N -1.99 0.00 0.28 2.61 -2.24 -1.17 -4.92 114.28 106.84 1nqx n THR 130 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1nqx n THR 130 Cb 0.00 0.00 0.77 0.00 -2.10 0.00 0.00 70.33 69.00 1nqx n THR 130 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1nqx h LYS 131 N 0.00 0.00 -0.62 -0.78 2.10 -1.83 -1.28 116.57 114.15 1nqx h LYS 131 Ca 0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.35 1nqx h LYS 131 Cb 0.00 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 31.15 1nqx h LYS 131 CO 0.00 0.01 0.23 0.72 -2.00 0.00 0.00 179.45 178.41 1nqx n HIS 132 N -4.18 1.95 -3.79 0.07 8.25 0.54 -5.05 115.22 113.01 1nqx n HIS 132 Ca -0.03 -1.61 0.00 0.00 -0.26 0.00 0.00 57.72 55.82 1nqx n HIS 132 Cb 0.10 -0.67 0.00 0.00 1.12 0.00 0.00 29.99 30.54 1nqx n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqx n GLY 133 N -1.00 -0.92 2.64 -1.41 0.00 -0.49 -4.65 105.19 99.36 1nqx n GLY 133 Ca 0.43 -1.24 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 1nqx n GLY 133 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nqx s ASN 134 N -4.00 2.79 0.56 1.61 3.84 -1.25 -0.33 114.94 118.16 1nqx s ASN 134 Ca 0.00 -0.84 0.25 0.00 0.21 0.00 0.00 52.86 52.48 1nqx s ASN 134 Cb 0.00 -0.39 1.59 0.00 -0.55 0.00 0.00 41.25 41.91 1nqx s ASN 134 CO 0.00 -0.36 2.19 0.50 -2.79 0.00 0.00 177.10 176.65 1nqx h LYS 135 N 8.35 0.00 -0.27 0.43 1.63 -1.51 -1.93 116.57 123.27 1nqx h LYS 135 Ca -0.16 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.57 1nqx h LYS 135 Cb 1.11 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 1nqx h LYS 135 CO 0.34 0.02 -0.09 0.78 -3.45 0.00 0.00 179.45 177.05 1nqx h GLY 136 N 0.12 0.58 0.97 5.01 0.00 -1.82 -0.97 103.07 106.96 1nqx h GLY 136 Ca -0.00 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.84 1nqx h GLY 136 CO 0.00 0.45 0.38 -0.25 0.00 0.00 0.00 176.54 177.12 1nqx h TRP 137 N 0.28 0.71 -0.21 5.60 7.01 -1.56 -0.29 115.95 127.49 1nqx h TRP 137 Ca 0.06 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 1nqx h TRP 137 Cb 0.58 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 1nqx h TRP 137 CO 0.06 0.44 0.11 1.49 -2.79 0.00 0.00 178.44 177.74 1nqx h GLU 138 N 0.76 0.29 -0.31 2.65 4.81 -1.28 0.84 114.58 122.34 1nqx h GLU 138 Ca 0.22 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1nqx h GLU 138 Cb -0.06 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1nqx h GLU 138 CO -0.06 0.28 -0.18 0.00 -0.73 0.00 0.00 179.01 178.32 1nqx h ALA 139 N 0.99 1.12 -0.35 2.92 0.00 -0.98 -1.30 119.26 121.67 1nqx h ALA 139 Ca 0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1nqx h ALA 139 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1nqx h ALA 139 CO -0.01 0.55 -0.18 0.00 0.00 0.00 0.00 179.25 179.61 1nqx h ALA 140 N 1.30 0.49 -0.69 0.00 0.00 -0.71 -1.48 119.26 118.18 1nqx h ALA 140 Ca 0.08 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1nqx h ALA 140 Cb 0.60 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1nqx h ALA 140 CO 0.04 0.42 0.44 1.25 0.00 0.00 0.00 179.25 181.41 1nqx h LEU 141 N 0.51 0.74 -0.85 0.00 5.85 -0.55 -1.03 115.31 119.98 1nqx h LEU 141 Ca 0.08 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1nqx h LEU 141 Cb 0.73 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1nqx h LEU 141 CO 0.05 0.53 0.54 -1.28 -0.34 0.00 0.00 178.44 177.94 1nqx h SER 142 N 0.88 0.86 -0.51 1.25 0.87 -1.10 -1.78 113.55 114.03 1nqx h SER 142 Ca 0.26 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.74 1nqx h SER 142 Cb -0.04 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 1nqx h SER 142 CO -0.08 0.57 -0.02 0.00 -0.53 0.00 0.00 176.83 176.77 1nqx h ALA 143 N 1.38 0.93 0.08 6.23 0.00 -0.59 0.30 119.26 127.59 1nqx h ALA 143 Ca 0.36 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nqx h ALA 143 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1nqx h ALA 143 CO -0.15 0.64 -0.08 0.82 0.00 0.00 0.00 179.25 180.48 1nqx h ILE 144 N 0.87 0.81 -0.30 0.00 2.04 -0.90 0.71 117.51 120.75 1nqx h ILE 144 Ca 0.16 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.03 1nqx h ILE 144 Cb 0.55 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1nqx h ILE 144 CO 0.03 0.00 0.18 -0.08 0.00 0.00 0.00 178.15 178.28 1nqx h GLU 145 N -0.18 0.36 -0.61 2.37 4.81 -1.06 -1.30 114.58 118.96 1nqx h GLU 145 Ca 0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1nqx h GLU 145 Cb 0.18 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1nqx h GLU 145 CO -0.02 0.24 0.04 0.52 -0.73 0.00 0.00 179.01 179.05 1nqx h MET 146 N 0.37 1.05 -0.45 1.92 2.86 -0.77 0.12 114.93 120.01 1nqx h MET 146 Ca 0.12 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1nqx h MET 146 Cb -0.01 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1nqx h MET 146 CO -0.05 1.01 0.24 0.00 1.06 0.00 0.00 176.91 179.17 1nqx h ALA 147 N 1.00 0.58 -0.58 6.32 0.00 -0.62 0.43 119.26 126.38 1nqx h ALA 147 Ca 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1nqx h ALA 147 Cb 0.51 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1nqx h ALA 147 CO 0.02 0.12 0.23 -0.91 0.00 0.00 0.00 179.25 178.72 1nqx h ASN 148 N 0.59 0.81 -0.53 0.00 2.35 -0.97 -2.37 115.58 115.46 1nqx h ASN 148 Ca 0.16 -0.17 0.06 0.00 -0.55 0.00 0.00 56.30 55.79 1nqx h ASN 148 Cb 0.08 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 1nqx h ASN 148 CO -0.02 0.76 0.25 0.25 -1.65 0.00 0.00 177.43 177.02 1nqx h LEU 149 N 0.81 0.33 -1.46 1.61 5.85 -0.46 -2.40 115.31 119.59 1nqx h LEU 149 Ca 0.19 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 1nqx h LEU 149 Cb 0.21 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1nqx h LEU 149 CO -0.02 0.22 -0.23 -0.26 -0.34 0.00 0.00 178.44 177.82 1nqx h PHE 150 N 0.47 0.00 -0.43 1.25 -1.00 -0.68 -0.15 116.94 116.40 1nqx h PHE 150 Ca 0.24 0.00 0.12 0.00 2.81 0.00 0.00 57.97 61.15 1nqx h PHE 150 Cb 0.19 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 1nqx h PHE 150 CO -0.12 0.23 0.31 0.87 -1.61 0.00 0.00 178.31 177.99 1nqx h LYS 151 N 0.00 0.00 0.00 1.51 1.57 -0.90 -1.04 116.57 117.71 1nqx h LYS 151 Ca -0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1nqx h LYS 151 Cb 0.57 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 1nqx h LYS 151 CO 0.03 0.00 -2.15 -1.13 -0.57 0.00 0.00 179.45 175.63 1nqx n SER 152 N -4.38 1.03 0.12 0.86 3.41 -0.70 -4.69 113.62 109.28 1nqx n SER 152 Ca 0.07 -0.01 -0.20 0.00 -0.26 0.00 0.00 58.87 58.47 1nqx n SER 152 Cb 0.51 0.78 -0.15 0.00 -0.26 0.00 0.00 64.21 65.09 1nqx n SER 152 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1nqx h LEU 153 N 0.00 0.63 0.00 1.04 5.85 -0.88 -3.53 115.31 118.42 1nqx h LEU 153 Ca -0.46 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 57.59 1nqx h LEU 153 Cb 2.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.82 1nqx h LEU 153 CO 0.01 1.52 0.00 -1.14 -0.34 0.00 0.00 178.44 178.50