#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 4.39 -0.10 2.12 -0.21 -1.26 -5.04 119.66 119.56 1nqx s GLN 2 Ca 0.00 1.15 0.03 0.00 0.02 0.00 0.00 55.36 56.56 1nqx s GLN 2 Cb 0.00 -3.53 0.01 0.00 1.00 0.00 0.00 33.01 30.49 1nqx s GLN 2 CO 0.00 -0.22 -0.19 0.42 -2.12 0.00 0.00 175.29 173.18 1nqx s ILE 3 N 1.73 1.75 -0.07 1.08 1.01 -1.26 -5.12 121.20 120.32 1nqx s ILE 3 Ca 0.43 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 60.31 1nqx s ILE 3 Cb -0.18 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 1nqx s ILE 3 CO 0.17 0.49 -0.22 -0.31 0.00 0.00 0.00 174.94 175.07 1nqx s TYR 4 N 0.62 2.53 0.17 3.97 2.02 -1.26 -5.12 117.35 120.28 1nqx s TYR 4 Ca -0.14 -0.70 -0.17 0.00 -0.37 0.00 0.00 57.07 55.70 1nqx s TYR 4 Cb -0.16 -1.65 0.03 0.00 -0.40 0.00 0.00 41.96 39.78 1nqx s TYR 4 CO 0.04 -0.20 0.47 -1.83 -1.57 0.00 0.00 175.55 172.46 1nqx s GLU 5 N -0.09 1.27 -0.16 -0.62 -1.05 -1.26 -5.11 118.70 111.68 1nqx s GLU 5 Ca -0.05 -0.83 -0.05 0.00 -0.15 0.00 0.00 54.97 53.89 1nqx s GLU 5 Cb -0.14 0.50 -0.03 0.00 -0.44 0.00 0.00 34.13 34.01 1nqx s GLU 5 CO 0.04 -0.52 0.01 0.20 0.95 0.00 0.00 175.26 175.95 1nqx s GLY 6 N -2.86 1.83 1.00 -3.83 0.00 -1.26 -4.42 107.32 97.79 1nqx s GLY 6 Ca 0.08 -0.78 -0.15 0.00 0.00 0.00 0.00 44.72 43.87 1nqx s GLY 6 CO -0.06 -0.09 1.17 0.54 0.00 0.00 0.00 173.10 174.66 1nqx s LYS 7 N 0.16 0.36 -0.06 2.90 1.02 -1.26 -4.84 119.74 118.02 1nqx s LYS 7 Ca 0.02 0.04 0.13 0.00 0.02 0.00 0.00 55.97 56.17 1nqx s LYS 7 Cb -0.13 -1.77 0.38 0.00 -0.52 0.00 0.00 37.83 35.79 1nqx s LYS 7 CO 0.02 -2.67 1.31 1.28 -0.92 0.00 0.00 175.35 174.37 1nqx n LEU 8 N -4.05 3.27 -4.74 3.17 4.77 -1.26 -4.12 117.00 114.03 1nqx n LEU 8 Ca 0.10 -2.33 -0.39 0.00 -0.03 0.00 0.00 56.01 53.36 1nqx n LEU 8 Cb 0.59 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1nqx n LEU 8 CO 0.51 0.71 0.32 0.42 -1.33 0.00 0.00 177.39 178.03 1nqx s THR 9 N -1.60 4.99 -1.03 -5.08 -4.23 -1.26 -4.85 115.64 102.57 1nqx s THR 9 Ca 0.30 1.29 0.16 0.00 -1.18 0.00 0.00 61.69 62.26 1nqx s THR 9 Cb 0.19 -3.96 0.53 0.00 1.34 0.00 0.00 72.50 70.60 1nqx s THR 9 CO 0.14 0.34 1.45 0.00 -0.54 0.00 0.00 174.62 176.01 1nqx n ALA 10 N 3.23 2.63 -1.65 3.99 0.00 0.13 -4.97 120.51 123.87 1nqx n ALA 10 Ca -0.05 -1.51 -0.48 0.00 0.00 0.00 0.00 53.44 51.40 1nqx n ALA 10 Cb 0.51 -0.74 -0.05 0.00 0.00 0.00 0.00 19.45 19.17 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 0.72 1.82 -0.66 0.00 2.13 -1.24 -1.69 120.64 121.72 1nqx n GLU 11 Ca 0.20 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1nqx n GLU 11 Cb 0.68 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 30.00 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 3.27 1.55 3.84 8.31 0.00 -1.26 -4.99 105.19 115.91 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 3.98 -0.09 0.99 1.43 -0.68 -5.06 118.68 119.25 1nqx s LEU 13 Ca 0.00 1.41 0.02 0.00 -1.03 0.00 0.00 54.13 54.53 1nqx s LEU 13 Cb 0.00 -4.24 0.01 0.00 0.03 0.00 0.00 46.19 41.99 1nqx s LEU 13 CO 0.00 -0.29 -0.16 -0.13 0.23 0.00 0.00 176.35 176.00 1nqx s ARG 14 N -3.18 2.23 0.02 1.70 0.52 -1.26 -4.62 118.95 114.36 1nqx s ARG 14 Ca 0.57 -0.58 0.08 0.00 -0.52 0.00 0.00 55.73 55.27 1nqx s ARG 14 Cb -0.10 -1.81 -0.02 0.00 0.52 0.00 0.00 34.95 33.54 1nqx s ARG 14 CO 0.18 0.03 -0.23 -0.06 0.02 0.00 0.00 175.30 175.24 1nqx s PHE 15 N 0.71 2.00 -0.11 -0.53 0.40 -0.81 -0.71 117.98 118.93 1nqx s PHE 15 Ca -0.12 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 55.79 1nqx s PHE 15 Cb -0.16 -1.23 -0.03 0.00 0.51 0.00 0.00 43.02 42.11 1nqx s PHE 15 CO 0.03 0.05 0.01 0.20 0.70 0.00 0.00 175.22 176.21 1nqx s GLY 16 N -0.92 1.86 -0.07 4.36 0.00 -0.62 -0.80 107.32 111.12 1nqx s GLY 16 Ca 0.09 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 44.07 1nqx s GLY 16 CO 0.01 -0.39 -0.22 -0.42 0.00 0.00 0.00 173.10 172.08 1nqx s ILE 17 N -0.53 1.84 -0.19 0.90 1.01 0.77 -0.16 121.20 124.85 1nqx s ILE 17 Ca 0.09 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 1nqx s ILE 17 Cb -0.12 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.77 1nqx s ILE 17 CO 0.02 0.51 -0.13 -0.69 0.00 0.00 0.00 174.94 174.65 1nqx s VAL 18 N 0.18 2.68 -0.07 2.92 1.01 -0.43 -0.66 120.40 126.02 1nqx s VAL 18 Ca -0.11 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1nqx s VAL 18 Cb -0.15 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1nqx s VAL 18 CO 0.06 0.49 -0.10 0.00 0.00 0.00 0.00 175.10 175.55 1nqx s ALA 19 N 1.21 1.17 0.65 5.51 0.00 -0.02 -0.63 121.76 129.65 1nqx s ALA 19 Ca 0.02 -0.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.49 1nqx s ALA 19 Cb -0.14 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1nqx s ALA 19 CO -0.06 -0.06 1.05 -1.54 0.00 0.00 0.00 175.76 175.15 1nqx s SER 20 N 1.01 5.92 0.03 0.00 1.04 -0.83 -1.78 113.70 119.09 1nqx s SER 20 Ca -0.08 1.28 0.22 0.00 0.48 0.00 0.00 55.95 57.84 1nqx s SER 20 Cb -0.15 -2.24 -0.23 0.00 0.10 0.00 0.00 66.02 63.51 1nqx s SER 20 CO -0.00 -1.05 0.62 0.54 0.98 0.00 0.00 173.24 174.33 1nqx n ARG 21 N -2.83 0.65 -1.85 4.02 1.74 0.33 -4.78 116.66 113.94 1nqx n ARG 21 Ca 0.06 -0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.65 1nqx n ARG 21 Cb 0.55 -1.62 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 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 -3.37 2.79 -1.46 -1.55 5.36 -0.48 -1.63 117.98 117.63 1nqx s PHE 22 Ca -0.06 0.93 -0.06 0.00 -0.96 0.00 0.00 56.93 56.79 1nqx s PHE 22 Cb 0.12 -3.99 0.01 0.00 -0.34 0.00 0.00 43.02 38.82 1nqx s PHE 22 CO 0.87 -3.21 0.76 0.09 -1.46 0.00 0.00 175.22 172.27 1nqx n ASN 23 N 1.83 -6.11 0.21 6.13 3.02 -1.26 -4.54 115.26 114.54 1nqx n ASN 23 Ca 0.06 -0.35 0.15 0.00 -0.03 0.00 0.00 54.58 54.41 1nqx n ASN 23 Cb 0.39 -4.86 0.77 0.00 -0.61 0.00 0.00 39.78 35.47 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 -1.75 0.00 0.00 3.10 2.07 -1.61 0.14 115.15 117.10 1nqx h HIS 24 Ca -0.53 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 56.98 1nqx h HIS 24 Cb 1.36 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.34 1nqx h HIS 24 CO 0.50 0.00 -0.08 0.00 -3.07 0.00 0.00 177.93 175.28 1nqx h ALA 25 N 1.87 1.44 0.03 6.11 0.00 -1.90 0.90 119.26 127.71 1nqx h ALA 25 Ca 0.07 -0.07 -0.37 0.00 0.00 0.00 0.00 54.91 54.55 1nqx h ALA 25 Cb 0.35 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1nqx h ALA 25 CO -0.00 0.10 -2.08 1.28 0.00 0.00 0.00 179.25 178.54 1nqx n LEU 26 N -3.81 2.34 -0.34 0.00 4.77 -0.07 -4.28 117.00 115.60 1nqx n LEU 26 Ca -0.02 0.22 0.03 0.00 -0.03 0.00 0.00 56.01 56.20 1nqx n LEU 26 Cb 0.18 -0.95 0.18 0.00 -2.33 0.00 0.00 43.42 40.49 1nqx n LEU 26 CO 0.30 0.65 1.22 0.58 -1.33 0.00 0.00 177.39 178.82 1nqx h VAL 27 N -0.51 1.02 -0.14 4.08 2.07 -1.02 -1.13 116.25 120.61 1nqx h VAL 27 Ca -0.52 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1nqx h VAL 27 Cb 1.71 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1nqx h VAL 27 CO -0.17 0.19 0.07 0.44 0.02 0.00 0.00 177.57 178.12 1nqx h ASP 28 N 1.03 0.17 -0.14 0.57 3.32 -1.03 0.26 116.42 120.61 1nqx h ASP 28 Ca 0.43 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.31 1nqx h ASP 28 Cb 0.26 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1nqx h ASP 28 CO -0.20 0.15 -0.48 0.03 -1.72 0.00 0.00 179.24 177.02 1nqx h ARG 29 N 0.20 0.70 -0.81 3.56 2.47 -1.40 -2.00 114.38 117.11 1nqx h ARG 29 Ca 0.05 -0.41 -0.04 0.00 -1.26 0.00 0.00 59.98 58.33 1nqx h ARG 29 Cb 0.02 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.34 1nqx h ARG 29 CO -0.01 1.02 0.36 -0.07 0.56 0.00 0.00 179.97 181.84 1nqx h LEU 30 N 0.56 1.08 -0.36 3.04 3.38 -0.92 -0.86 115.31 121.23 1nqx h LEU 30 Ca 0.03 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1nqx h LEU 30 Cb 1.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1nqx h LEU 30 CO 0.10 0.93 -0.04 0.58 0.09 0.00 0.00 178.44 180.09 1nqx h VAL 31 N 1.16 1.27 -0.67 1.22 2.07 -0.91 -0.93 116.25 119.47 1nqx h VAL 31 Ca 0.27 -1.07 0.08 0.00 0.82 0.00 0.00 66.70 66.80 1nqx h VAL 31 Cb 0.16 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1nqx h VAL 31 CO -0.03 0.35 0.33 -0.33 0.02 0.00 0.00 177.57 177.91 1nqx h GLU 32 N 0.46 0.55 -0.52 1.57 5.08 -1.11 -1.24 114.58 119.37 1nqx h GLU 32 Ca 0.10 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1nqx h GLU 32 Cb 0.53 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1nqx h GLU 32 CO 0.03 0.37 0.16 0.78 -1.00 0.00 0.00 179.01 179.34 1nqx h GLY 33 N 0.57 0.88 0.98 -3.84 0.00 -0.81 -1.04 103.07 99.81 1nqx h GLY 33 Ca 0.32 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1nqx h GLY 33 CO -0.25 0.49 0.07 0.00 0.00 0.00 0.00 176.54 176.85 1nqx h ALA 34 N 1.02 0.65 -0.37 3.60 0.00 -0.68 -0.76 119.26 122.73 1nqx h ALA 34 Ca 0.17 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1nqx h ALA 34 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1nqx h ALA 34 CO -0.00 0.38 -0.07 0.82 0.00 0.00 0.00 179.25 180.37 1nqx h ILE 35 N 0.68 1.27 -0.42 0.00 2.04 -1.12 -1.36 117.51 118.61 1nqx h ILE 35 Ca 0.15 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 64.90 1nqx h ILE 35 Cb 0.40 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1nqx h ILE 35 CO 0.01 0.37 0.23 -0.78 0.00 0.00 0.00 178.15 177.99 1nqx h ASP 36 N 0.50 0.37 -0.37 1.72 3.58 -1.06 0.01 116.42 121.15 1nqx h ASP 36 Ca 0.09 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.58 1nqx h ASP 36 Cb 0.58 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 1nqx h ASP 36 CO 0.03 0.26 0.18 0.00 -2.88 0.00 0.00 179.24 176.84 1nqx h ILE 38 N 0.37 0.71 -0.63 0.00 2.04 -0.79 -2.53 117.51 116.67 1nqx h ILE 38 Ca 0.16 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 1nqx h ILE 38 Cb 0.08 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1nqx h ILE 38 CO -0.12 0.01 0.28 0.58 0.00 0.00 0.00 178.15 178.90 1nqx h VAL 39 N -0.43 1.23 -0.00 1.67 2.07 -0.80 -0.35 116.25 119.64 1nqx h VAL 39 Ca -0.04 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1nqx h VAL 39 Cb 0.33 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1nqx h VAL 39 CO 0.07 0.27 -0.02 0.54 0.02 0.00 0.00 177.57 178.45 1nqx n ARG 40 N -4.46 0.05 -0.14 1.57 1.74 -0.26 -1.65 116.66 113.50 1nqx n ARG 40 Ca 0.04 -0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.21 1nqx n ARG 40 Cb 0.15 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.37 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 -1.47 0.38 0.00 -1.55 8.25 -0.96 -4.94 115.22 114.93 1nqx n HIS 41 Ca 0.08 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1nqx n HIS 41 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 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 0.48 3.79 -1.41 0.00 -0.66 0.18 105.19 108.75 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 -1.06 2.57 0.01 -0.02 0.00 -0.18 -3.58 107.32 105.07 1nqx s GLY 43 Ca 0.00 0.64 -0.17 0.00 0.00 0.00 0.00 44.72 45.18 1nqx s GLY 43 CO 0.00 0.99 0.50 0.50 0.00 0.00 0.00 173.10 175.08 1nqx s ARG 44 N -3.03 4.12 0.49 2.90 0.52 -1.26 -4.12 118.95 118.57 1nqx s ARG 44 Ca 0.65 0.57 0.19 0.00 -0.52 0.00 0.00 55.73 56.62 1nqx s ARG 44 Cb -0.18 -3.26 1.24 0.00 0.52 0.00 0.00 34.95 33.26 1nqx s ARG 44 CO 0.22 0.58 2.08 1.05 0.02 0.00 0.00 175.30 179.25 1nqx h GLU 45 N 4.96 0.00 0.00 3.54 -0.00 -1.95 -0.41 114.58 120.71 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 0.11 0.00 0.93 -0.00 0.00 0.00 179.01 180.69 1nqx h GLU 46 N 0.00 0.00 -0.51 1.06 3.07 -2.00 -1.83 114.58 114.37 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 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 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 -2.96 2.75 -4.81 1.42 8.00 -0.17 -4.85 116.55 115.94 1nqx n ASP 47 Ca -0.01 -2.06 -0.36 0.00 0.71 0.00 0.00 54.79 53.07 1nqx n ASP 47 Cb 0.20 -0.35 -0.07 0.00 -0.02 0.00 0.00 41.12 40.87 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 -1.43 5.31 -0.18 0.53 1.01 -0.69 -1.92 121.20 123.84 1nqx s ILE 48 Ca 0.33 0.14 -0.00 0.00 0.00 0.00 0.00 60.65 61.12 1nqx s ILE 48 Cb 0.18 -3.34 0.01 0.00 0.01 0.00 0.00 42.46 39.32 1nqx s ILE 48 CO 0.21 0.57 -0.15 -0.89 0.00 0.00 0.00 174.94 174.68 1nqx s THR 49 N -0.60 2.55 -0.18 2.92 2.01 0.02 -4.99 115.64 117.36 1nqx s THR 49 Ca 0.12 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 1nqx s THR 49 Cb -0.12 -2.09 -0.02 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 1.14 3.19 -0.15 4.42 2.96 -1.26 -0.16 118.68 128.82 1nqx s LEU 50 Ca 0.01 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1nqx s LEU 50 Cb -0.14 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.76 1nqx s LEU 50 CO -0.06 0.09 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.21 1nqx s VAL 51 N 0.81 2.53 -0.05 1.68 1.01 0.17 -4.98 120.40 121.57 1nqx s VAL 51 Ca -0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 1nqx s VAL 51 Cb -0.14 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1nqx s VAL 51 CO 0.02 0.52 0.21 -0.13 0.00 0.00 0.00 175.10 175.72 1nqx s ARG 52 N 0.81 3.52 0.11 2.72 0.52 -1.26 -0.84 118.95 124.53 1nqx s ARG 52 Ca -0.06 -0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 1nqx s ARG 52 Cb -0.15 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 1nqx s ARG 52 CO -0.00 0.71 -0.01 0.14 0.02 0.00 0.00 175.30 176.16 1nqx s VAL 53 N -1.17 0.39 0.07 3.52 -7.23 -0.73 -4.94 120.40 110.31 1nqx s VAL 53 Ca 0.22 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 1nqx s VAL 53 Cb -0.13 -1.84 -0.18 0.00 0.56 0.00 0.00 36.38 34.80 1nqx s VAL 53 CO 0.11 -0.71 1.61 -0.65 -0.31 0.00 0.00 175.10 175.15 1nqx h PRO 54 N 2.93 -0.60 -4.81 4.82 0.11 -1.93 0.97 132.00 133.48 1nqx h PRO 54 Ca -0.35 0.04 -0.40 0.00 0.11 0.00 0.00 66.00 65.40 1nqx h PRO 54 Cb 1.18 0.14 -0.14 0.00 0.11 0.00 0.00 31.00 32.28 1nqx h PRO 54 CO 0.63 -0.38 -0.54 0.20 -0.21 0.00 0.00 178.00 177.70 1nqx s GLY 55 N -2.17 2.03 0.43 -0.55 0.00 -1.26 -1.38 107.32 104.41 1nqx s GLY 55 Ca -0.16 -1.90 0.13 0.00 0.00 0.00 0.00 44.72 42.79 1nqx s GLY 55 CO 0.62 -1.48 1.98 1.76 0.00 0.00 0.00 173.10 175.99 1nqx h SER 56 N 2.29 0.40 -0.81 1.64 0.02 -1.91 -1.36 113.55 113.81 1nqx h SER 56 Ca -0.30 0.01 0.11 0.00 -0.84 0.00 0.00 61.79 60.77 1nqx h SER 56 Cb 1.24 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.65 1nqx h SER 56 CO 0.44 0.25 0.53 -0.25 -1.14 0.00 0.00 176.83 176.66 1nqx h TRP 57 N 0.45 0.76 -0.00 3.45 2.91 -1.96 -1.69 115.95 119.87 1nqx h TRP 57 Ca 0.27 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.31 1nqx h TRP 57 Cb 0.48 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 28.89 1nqx h TRP 57 CO -0.00 0.33 -0.28 0.39 -1.03 0.00 0.00 178.44 177.86 1nqx n GLU 58 N -4.52 0.15 -0.03 2.65 4.71 -0.52 -4.23 120.64 118.85 1nqx n GLU 58 Ca 0.14 -0.07 -0.09 0.00 -0.01 0.00 0.00 57.16 57.14 1nqx n GLU 58 Cb 0.38 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.28 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 0.16 0.91 -0.18 -3.67 2.04 -1.24 -3.18 117.51 112.35 1nqx h ILE 59 Ca 0.00 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1nqx h ILE 59 Cb 0.48 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1nqx h ILE 59 CO 0.00 0.02 0.00 -0.65 0.00 0.00 0.00 178.15 177.52 1nqx h PRO 60 N 0.10 0.06 -0.66 2.37 0.11 -1.77 0.08 132.00 132.31 1nqx h PRO 60 Ca 0.08 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 1nqx h PRO 60 Cb 0.08 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.14 1nqx h PRO 60 CO -0.11 0.04 0.41 -0.24 -0.21 0.00 0.00 178.00 177.89 1nqx h VAL 61 N 0.07 1.18 -0.33 3.15 3.04 -1.83 0.39 116.25 121.91 1nqx h VAL 61 Ca 0.09 -0.37 -0.17 0.00 -1.01 0.00 0.00 66.70 65.23 1nqx h VAL 61 Cb 0.10 0.24 -0.00 0.00 -2.01 0.00 0.00 31.29 29.62 1nqx h VAL 61 CO -0.14 0.18 -0.48 0.00 -1.01 0.00 0.00 177.57 176.13 1nqx h ALA 62 N 1.55 0.50 -0.27 3.17 0.00 -1.45 -3.09 119.26 119.67 1nqx h ALA 62 Ca 0.24 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1nqx h ALA 62 Cb -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1nqx h ALA 62 CO -0.05 0.67 -0.00 0.00 0.00 0.00 0.00 179.25 179.87 1nqx h ALA 63 N 0.72 1.49 -0.62 0.00 0.00 -0.18 -1.72 119.26 118.96 1nqx h ALA 63 Ca 0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1nqx h ALA 63 Cb 1.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1nqx h ALA 63 CO 0.11 0.37 0.23 0.78 0.00 0.00 0.00 179.25 180.74 1nqx h GLY 64 N 0.72 0.98 1.06 0.00 0.00 -0.88 0.14 103.07 105.10 1nqx h GLY 64 Ca 0.09 -0.51 -0.19 0.00 0.00 0.00 0.00 47.33 46.72 1nqx h GLY 64 CO 0.01 0.49 -0.66 0.83 0.00 0.00 0.00 176.54 177.21 1nqx h GLU 65 N 0.89 0.70 -0.43 4.80 4.39 -1.27 -2.90 114.58 120.77 1nqx h GLU 65 Ca 0.21 -0.56 -0.10 0.00 0.34 0.00 0.00 59.36 59.25 1nqx h GLU 65 Cb 0.20 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1nqx h GLU 65 CO -0.02 1.17 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.82 1nqx h LEU 66 N 0.39 0.84 -1.93 1.33 3.38 -1.13 -2.93 115.31 115.27 1nqx h LEU 66 Ca -0.04 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1nqx h LEU 66 Cb 1.29 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1nqx h LEU 66 CO 0.14 1.02 -0.08 0.00 0.09 0.00 0.00 178.44 179.60 1nqx h ALA 67 N 0.85 1.15 0.00 1.53 0.00 -0.77 -1.63 119.26 120.39 1nqx h ALA 67 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nqx h ALA 67 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1nqx h ALA 67 CO 0.05 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.94 1nqx n ARG 68 N -3.40 0.04 -2.39 0.00 1.74 -1.10 -4.80 116.66 106.77 1nqx n ARG 68 Ca -0.01 0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 1nqx n ARG 68 Cb 0.24 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 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 4.37 0.50 5.56 1.02 -0.61 -4.91 119.74 122.64 1nqx s LYS 69 Ca 0.12 1.78 0.26 0.00 0.02 0.00 0.00 55.97 58.16 1nqx s LYS 69 Cb 0.16 -3.46 1.32 0.00 -0.52 0.00 0.00 37.83 35.34 1nqx s LYS 69 CO 0.50 -0.39 2.02 1.49 -0.92 0.00 0.00 175.35 178.05 1nqx h GLU 70 N 7.23 0.00 -0.67 1.68 4.81 -1.88 -2.47 114.58 123.28 1nqx h GLU 70 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 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 0.86 0.15 0.00 -0.40 -0.73 0.00 0.00 179.01 178.88 1nqx n ASP 71 N -3.64 4.45 -4.25 1.04 5.75 -1.26 -4.78 116.55 113.86 1nqx n ASP 71 Ca -0.02 -2.64 -0.34 0.00 -0.01 0.00 0.00 54.79 51.79 1nqx n ASP 71 Cb 0.28 -0.62 -0.15 0.00 -1.03 0.00 0.00 41.12 39.60 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 -2.23 2.84 -0.05 2.12 -1.09 -0.93 -4.76 121.20 117.09 1nqx s ILE 72 Ca 0.41 -0.69 0.13 0.00 -2.23 0.00 0.00 60.65 58.27 1nqx s ILE 72 Cb 0.30 -2.24 -0.12 0.00 -1.58 0.00 0.00 42.46 38.83 1nqx s ILE 72 CO 0.13 0.48 1.09 0.44 -1.23 0.00 0.00 174.94 175.86 1nqx h ASP 73 N 7.75 0.00 -4.79 3.58 3.32 -1.22 -3.47 116.42 121.60 1nqx h ASP 73 Ca -0.39 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1nqx h ASP 73 Cb 1.17 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.53 1nqx h ASP 73 CO 0.60 0.75 0.29 0.00 -1.72 0.00 0.00 179.24 179.16 1nqx s ALA 74 N -2.81 -1.78 -0.06 3.45 0.00 -1.23 -4.43 121.76 114.89 1nqx s ALA 74 Ca -0.00 1.24 0.05 0.00 0.00 0.00 0.00 51.96 53.25 1nqx s ALA 74 Cb 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1nqx s ALA 74 CO 0.80 -0.43 -0.19 0.08 0.00 0.00 0.00 175.76 176.01 1nqx s VAL 75 N -1.65 2.58 -0.26 0.00 1.01 -0.68 -1.59 120.40 119.81 1nqx s VAL 75 Ca -0.06 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 1nqx s VAL 75 Cb -0.00 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1nqx s VAL 75 CO 0.04 0.57 -0.00 -0.63 0.00 0.00 0.00 175.10 175.08 1nqx s ILE 76 N -0.37 3.45 -0.19 2.22 1.01 0.78 -0.31 121.20 127.80 1nqx s ILE 76 Ca 0.03 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 1nqx s ILE 76 Cb -0.12 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1nqx s ILE 76 CO 0.02 0.23 0.39 0.00 0.00 0.00 0.00 174.94 175.58 1nqx s ALA 77 N 1.44 3.55 -0.10 9.38 0.00 -0.79 -1.31 121.76 133.94 1nqx s ALA 77 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1nqx s ALA 77 Cb -0.16 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.39 1nqx s ALA 77 CO -0.01 -0.20 -0.09 0.42 0.00 0.00 0.00 175.76 175.88 1nqx s ILE 78 N 1.10 1.04 0.18 0.00 1.01 0.20 0.58 121.20 125.30 1nqx s ILE 78 Ca 0.19 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.27 1nqx s ILE 78 Cb -0.14 -1.02 0.05 0.00 0.01 0.00 0.00 42.46 41.35 1nqx s ILE 78 CO 0.08 0.36 0.87 -0.83 0.00 0.00 0.00 174.94 175.41 1nqx s GLY 79 N 1.37 -0.22 -0.13 6.18 0.00 -1.12 -1.96 107.32 111.44 1nqx s GLY 79 Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.75 1nqx s GLY 79 CO -0.04 0.00 0.02 0.14 0.00 0.00 0.00 173.10 173.22 1nqx s VAL 80 N -3.49 0.43 -0.16 1.40 1.01 -1.26 -0.93 120.40 117.39 1nqx s VAL 80 Ca 0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 1nqx s VAL 80 Cb -0.03 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1nqx s VAL 80 CO 0.02 0.02 0.01 -0.76 0.00 0.00 0.00 175.10 174.40 1nqx s LEU 81 N 1.93 3.55 -0.08 3.92 1.43 0.16 -4.73 118.68 124.85 1nqx s LEU 81 Ca 0.02 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1nqx s LEU 81 Cb -0.15 -1.87 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1nqx s LEU 81 CO -0.07 0.18 -0.15 -0.63 0.23 0.00 0.00 176.35 175.92 1nqx s ILE 82 N 0.30 1.37 0.27 -0.59 1.01 -1.26 -0.87 121.20 121.43 1nqx s ILE 82 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.75 1nqx s ILE 82 Cb -0.13 -1.24 -0.11 0.00 0.01 0.00 0.00 42.46 40.99 1nqx s ILE 82 CO 0.02 0.41 1.56 -0.60 0.00 0.00 0.00 174.94 176.33 1nqx s ARG 83 N 0.72 4.16 0.00 2.79 3.52 -0.27 -4.93 118.95 124.95 1nqx s ARG 83 Ca -0.13 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 57.97 1nqx s ARG 83 Cb -0.16 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 1nqx s ARG 83 CO 0.03 -0.59 0.00 0.41 -0.81 0.00 0.00 175.30 174.34 1nqx n GLY 84 N 2.39 2.25 0.13 8.12 0.00 -1.26 -4.83 105.19 111.99 1nqx n GLY 84 Ca 0.09 -1.93 0.01 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.83 0.66 -1.36 4.61 0.00 -2.01 -3.47 119.26 116.87 1nqx h ALA 85 Ca 0.00 -0.53 -0.52 0.00 0.00 0.00 0.00 54.91 53.86 1nqx h ALA 85 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1nqx h ALA 85 CO 0.00 0.73 -0.38 0.95 0.00 0.00 0.00 179.25 180.55 1nqx s THR 86 N -3.01 2.42 -2.00 0.00 -4.23 -1.26 -5.00 115.64 102.55 1nqx s THR 86 Ca 0.03 -1.42 0.03 0.00 -1.18 0.00 0.00 61.69 59.15 1nqx s THR 86 Cb 0.09 -2.84 0.09 0.00 1.34 0.00 0.00 72.50 71.18 1nqx s THR 86 CO 0.75 0.00 0.88 -0.81 -0.54 0.00 0.00 174.62 174.90 1nqx n PRO 87 N -1.54 0.74 -0.24 3.99 -0.04 -1.26 -4.11 135.00 132.53 1nqx n PRO 87 Ca 0.02 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.53 1nqx n PRO 87 Cb 0.63 -1.07 0.17 0.00 -0.04 0.00 0.00 33.50 33.19 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 -0.76 0.54 2.76 -1.96 -0.88 115.15 115.17 1nqx h HIS 88 Ca 0.00 0.04 0.17 0.00 -2.20 0.00 0.00 60.37 58.38 1nqx h HIS 88 Cb 0.00 -0.03 -0.12 0.00 1.55 0.00 0.00 27.41 28.82 1nqx h HIS 88 CO 0.00 -0.05 0.18 0.35 -1.30 0.00 0.00 177.93 177.11 1nqx h PHE 89 N 0.30 0.28 -0.22 5.26 3.57 -1.92 -1.65 116.94 122.56 1nqx h PHE 89 Ca 0.40 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.98 1nqx h PHE 89 Cb 0.66 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1nqx h PHE 89 CO -0.24 -0.11 0.02 -0.44 -2.23 0.00 0.00 178.31 175.32 1nqx h ASP 90 N 0.26 -0.04 -0.42 0.41 3.45 -1.47 -0.17 116.42 118.44 1nqx h ASP 90 Ca 0.44 0.04 -0.10 0.00 0.43 0.00 0.00 57.03 57.84 1nqx h ASP 90 Cb 0.77 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.59 1nqx h ASP 90 CO -0.54 0.01 -0.13 1.88 -1.57 0.00 0.00 179.24 178.89 1nqx h TYR 91 N 0.10 0.94 -0.16 4.55 -1.99 -1.33 -0.35 116.97 118.73 1nqx h TYR 91 Ca 0.10 -0.21 -0.02 0.00 2.00 0.00 0.00 58.73 60.60 1nqx h TYR 91 Cb 0.12 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 1nqx h TYR 91 CO -0.17 0.96 0.02 0.82 -0.00 0.00 0.00 178.16 179.79 1nqx h ILE 92 N 0.65 1.23 -0.76 -2.88 1.08 -1.23 -1.85 117.51 113.75 1nqx h ILE 92 Ca 0.10 -0.75 -0.01 0.00 -0.39 0.00 0.00 64.86 63.81 1nqx h ILE 92 Cb 0.67 1.42 -0.04 0.00 -3.07 0.00 0.00 36.82 35.81 1nqx h ILE 92 CO 0.05 0.23 0.45 0.00 -0.69 0.00 0.00 178.15 178.18 1nqx h ALA 93 N 0.80 1.36 -0.27 1.87 0.00 -0.99 0.47 119.26 122.50 1nqx h ALA 93 Ca 0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1nqx h ALA 93 Cb 0.33 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1nqx h ALA 93 CO 0.00 0.54 -0.03 0.77 0.00 0.00 0.00 179.25 180.54 1nqx h SER 94 N 1.04 0.49 0.61 0.00 0.02 -1.00 -2.41 113.55 112.30 1nqx h SER 94 Ca 0.27 -0.33 -0.16 0.00 -0.84 0.00 0.00 61.79 60.72 1nqx h SER 94 Cb -0.03 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1nqx h SER 94 CO -0.05 0.71 -0.75 -0.33 -1.14 0.00 0.00 176.83 175.27 1nqx h GLU 95 N 0.26 0.11 -0.28 3.45 4.39 -0.98 -1.12 114.58 120.41 1nqx h GLU 95 Ca 0.07 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 1nqx h GLU 95 Cb 0.47 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1nqx h GLU 95 CO 0.02 0.80 -0.22 -0.24 -1.16 0.00 0.00 179.01 178.22 1nqx h VAL 96 N 0.07 1.30 -0.26 3.13 3.04 -0.93 -0.76 116.25 121.84 1nqx h VAL 96 Ca -0.02 -1.36 -0.04 0.00 -1.01 0.00 0.00 66.70 64.28 1nqx h VAL 96 Cb 1.32 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 32.15 1nqx h VAL 96 CO 0.11 0.43 0.02 0.77 -1.01 0.00 0.00 177.57 177.89 1nqx h SER 97 N 0.38 0.44 -0.56 3.17 4.64 -1.43 -2.17 113.55 118.01 1nqx h SER 97 Ca 0.05 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 1nqx h SER 97 Cb 0.76 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 1nqx h SER 97 CO 0.06 0.61 0.28 0.50 -0.87 0.00 0.00 176.83 177.41 1nqx h LYS 98 N 0.25 0.80 -0.15 4.77 3.64 -1.18 -2.19 116.57 122.51 1nqx h LYS 98 Ca 0.08 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1nqx h LYS 98 Cb 0.37 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1nqx h LYS 98 CO 0.01 0.64 0.07 0.78 -2.27 0.00 0.00 179.45 178.68 1nqx h GLY 99 N 0.75 0.23 1.00 5.01 0.00 -1.06 -0.15 103.07 108.85 1nqx h GLY 99 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1nqx h GLY 99 CO -0.03 0.11 0.34 1.41 0.00 0.00 0.00 176.54 178.37 1nqx h LEU 100 N 0.11 0.60 -0.41 3.11 3.38 -1.34 0.28 115.31 121.04 1nqx h LEU 100 Ca 0.05 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1nqx h LEU 100 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1nqx h LEU 100 CO -0.01 0.45 -0.05 0.00 0.09 0.00 0.00 178.44 178.92 1nqx h ALA 101 N 1.18 0.56 -0.53 1.53 0.00 -1.20 -1.49 119.26 119.31 1nqx h ALA 101 Ca 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1nqx h ALA 101 Cb -0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1nqx h ALA 101 CO -0.04 0.40 0.31 -0.91 0.00 0.00 0.00 179.25 179.01 1nqx h ASN 102 N 0.59 0.64 -0.85 0.00 -0.26 -0.85 -2.26 115.58 112.60 1nqx h ASN 102 Ca 0.11 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 1nqx h ASN 102 Cb 0.56 -0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 37.62 1nqx h ASN 102 CO 0.03 0.53 0.47 -0.07 -1.06 0.00 0.00 177.43 177.33 1nqx h LEU 103 N 0.71 1.05 -0.72 1.61 3.38 -0.73 0.47 115.31 121.07 1nqx h LEU 103 Ca 0.19 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1nqx h LEU 103 Cb 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1nqx h LEU 103 CO -0.03 0.84 0.46 -1.28 0.09 0.00 0.00 178.44 178.51 1nqx h SER 104 N 1.17 0.76 -0.24 -0.43 0.87 -0.93 0.03 113.55 114.79 1nqx h SER 104 Ca 0.30 -0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.68 1nqx h SER 104 Cb 0.01 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1nqx h SER 104 CO -0.05 0.53 -0.54 -0.07 -0.53 0.00 0.00 176.83 176.17 1nqx h LEU 105 N 0.90 0.88 -0.41 2.23 3.38 -1.04 0.04 115.31 121.30 1nqx h LEU 105 Ca 0.28 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1nqx h LEU 105 Cb -0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1nqx h LEU 105 CO -0.10 1.28 0.16 -0.08 0.09 0.00 0.00 178.44 179.80 1nqx h GLU 106 N 0.53 0.61 -0.01 1.13 4.81 -0.58 -3.05 114.58 118.01 1nqx h GLU 106 Ca -0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1nqx h GLU 106 Cb 1.15 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1nqx h GLU 106 CO 0.12 0.57 -0.11 1.28 -0.73 0.00 0.00 179.01 180.14 1nqx n LEU 107 N -4.64 1.31 -3.95 1.64 4.77 -0.03 -4.96 117.00 111.14 1nqx n LEU 107 Ca -0.00 -0.40 -0.26 0.00 -0.03 0.00 0.00 56.01 55.31 1nqx n LEU 107 Cb 0.14 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1nqx n LEU 107 CO 0.37 0.23 -0.23 0.54 -1.33 0.00 0.00 177.39 176.96 1nqx n ARG 108 N -0.16 -2.98 -3.80 3.23 1.74 -0.05 -4.98 116.66 109.66 1nqx n ARG 108 Ca 0.16 0.39 -0.13 0.00 -0.77 0.00 0.00 57.85 57.50 1nqx n ARG 108 Cb 0.35 -4.42 -0.13 0.00 -1.02 0.00 0.00 32.46 27.25 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 -6.56 0.18 0.21 5.56 2.20 -0.93 -5.06 119.74 115.34 1nqx s LYS 109 Ca 0.04 0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.62 1nqx s LYS 109 Cb -0.02 0.05 -0.09 0.00 -1.51 0.00 0.00 37.83 36.26 1nqx s LYS 109 CO 0.89 -0.05 1.39 -2.14 -0.36 0.00 0.00 175.35 175.08 1nqx s PRO 110 N 0.28 4.32 -0.13 4.03 0.02 -1.26 -4.48 135.00 137.79 1nqx s PRO 110 Ca -0.02 2.17 -0.01 0.00 0.02 0.00 0.00 61.00 63.16 1nqx s PRO 110 Cb -0.03 -3.16 0.04 0.00 0.02 0.00 0.00 34.50 31.37 1nqx s PRO 110 CO -0.01 -0.36 -0.01 0.42 -0.33 0.00 0.00 177.00 176.71 1nqx s ILE 111 N 0.24 0.64 0.25 2.83 1.01 -1.26 -1.68 121.20 123.24 1nqx s ILE 111 Ca 0.59 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 61.03 1nqx s ILE 111 Cb -0.39 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1nqx s ILE 111 CO 0.39 0.13 0.40 0.42 0.00 0.00 0.00 174.94 176.27 1nqx s THR 112 N 1.84 5.23 -0.54 2.92 -4.23 0.58 -4.92 115.64 116.51 1nqx s THR 112 Ca 0.03 -0.81 -0.06 0.00 -1.18 0.00 0.00 61.69 59.67 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 -0.35 0.38 0.12 -0.54 0.00 0.00 174.62 174.17 1nqx s PHE 113 N -2.02 3.49 -0.46 3.99 5.36 -1.26 -1.88 117.98 125.20 1nqx s PHE 113 Ca 0.36 -2.31 0.03 0.00 -0.96 0.00 0.00 56.93 54.05 1nqx s PHE 113 Cb -0.09 -3.36 0.50 0.00 -0.34 0.00 0.00 43.02 39.72 1nqx s PHE 113 CO 0.30 -0.94 1.68 0.41 -1.46 0.00 0.00 175.22 175.22 1nqx n GLY 114 N 4.26 5.62 3.52 13.12 0.00 0.20 -4.72 105.19 127.18 1nqx n GLY 114 Ca 0.01 -2.00 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 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 -4.22 5.01 0.25 1.61 1.01 -1.22 -2.79 120.40 120.05 1nqx s VAL 115 Ca 0.56 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1nqx s VAL 115 Cb 0.46 -3.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 1nqx s VAL 115 CO 0.02 0.14 1.09 -0.63 0.00 0.00 0.00 175.10 175.72 1nqx s ILE 116 N 1.70 3.60 -0.51 2.22 1.01 -0.11 -4.92 121.20 124.19 1nqx s ILE 116 Ca 0.06 1.55 0.03 0.00 0.00 0.00 0.00 60.65 62.29 1nqx s ILE 116 Cb -0.17 -3.99 0.15 0.00 0.01 0.00 0.00 42.46 38.47 1nqx s ILE 116 CO 0.09 0.34 0.32 0.42 0.00 0.00 0.00 174.94 176.11 1nqx s THR 117 N -0.92 1.72 -0.01 2.92 -4.23 -1.26 -0.66 115.64 113.19 1nqx s THR 117 Ca 0.46 -3.08 -0.01 0.00 -1.18 0.00 0.00 61.69 57.88 1nqx s THR 117 Cb -0.31 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1nqx s THR 117 CO 0.39 -0.97 0.07 0.00 -0.54 0.00 0.00 174.62 173.57 1nqx s ALA 118 N -0.21 3.55 0.21 3.99 0.00 -0.05 -5.01 121.76 124.24 1nqx s ALA 118 Ca 0.22 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.39 1nqx s ALA 118 Cb -0.15 -1.57 0.12 0.00 0.00 0.00 0.00 23.12 21.52 1nqx s ALA 118 CO -0.07 0.68 1.47 -0.44 0.00 0.00 0.00 175.76 177.39 1nqx h ASP 119 N 4.22 0.08 -4.14 0.00 3.32 -1.93 -0.70 116.42 117.27 1nqx h ASP 119 Ca -0.49 -0.06 -0.32 0.00 0.02 0.00 0.00 57.03 56.18 1nqx h ASP 119 Cb 1.18 -0.03 -0.15 0.00 0.22 0.00 0.00 39.33 40.56 1nqx h ASP 119 CO 0.61 0.82 -0.69 0.42 -1.72 0.00 0.00 179.24 178.68 1nqx s THR 120 N -3.30 0.98 0.21 0.35 -4.23 -1.26 -3.96 115.64 104.43 1nqx s THR 120 Ca -0.01 -2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 58.39 1nqx s THR 120 Cb 0.11 -1.98 0.16 0.00 1.34 0.00 0.00 72.50 72.13 1nqx s THR 120 CO 0.80 -0.63 1.80 0.25 -0.54 0.00 0.00 174.62 176.30 1nqx h LEU 121 N 2.73 1.05 -0.66 4.79 5.85 -1.92 -2.14 115.31 125.01 1nqx h LEU 121 Ca -0.37 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.28 1nqx h LEU 121 Cb 1.20 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1nqx h LEU 121 CO 0.64 0.90 0.35 -0.08 -0.34 0.00 0.00 178.44 179.91 1nqx h GLU 122 N 1.13 0.61 -0.52 1.25 4.81 -1.99 -0.19 114.58 119.68 1nqx h GLU 122 Ca 0.27 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1nqx h GLU 122 Cb 0.14 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1nqx h GLU 122 CO -0.03 0.40 0.17 1.96 -0.73 0.00 0.00 179.01 180.78 1nqx h GLN 123 N 0.63 0.76 -0.32 1.92 4.20 -1.83 -0.69 115.11 119.77 1nqx h GLN 123 Ca 0.31 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 1nqx h GLN 123 Cb 0.24 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1nqx h GLN 123 CO -0.21 0.66 -0.09 0.00 -0.67 0.00 0.00 178.83 178.52 1nqx h ALA 124 N 1.44 0.45 -0.75 3.87 0.00 -0.67 -2.75 119.26 120.85 1nqx h ALA 124 Ca 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1nqx h ALA 124 Cb 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1nqx h ALA 124 CO -0.01 0.29 0.44 0.82 0.00 0.00 0.00 179.25 180.79 1nqx h ILE 125 N 0.41 1.22 -0.65 0.00 2.04 -0.71 -1.92 117.51 117.89 1nqx h ILE 125 Ca 0.08 -0.51 0.12 0.00 1.00 0.00 0.00 64.86 65.56 1nqx h ILE 125 Cb 0.59 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1nqx h ILE 125 CO 0.03 0.23 0.44 -0.33 0.00 0.00 0.00 178.15 178.53 1nqx h GLU 126 N 1.03 0.36 -0.19 2.37 5.08 -0.99 -2.44 114.58 119.80 1nqx h GLU 126 Ca 0.27 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1nqx h GLU 126 Cb -0.01 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1nqx h GLU 126 CO -0.05 0.24 0.00 0.54 -1.00 0.00 0.00 179.01 178.74 1nqx n ARG 127 N -4.46 2.27 -2.29 2.33 1.74 -0.78 -0.48 116.66 114.99 1nqx n ARG 127 Ca 0.12 -2.03 -0.30 0.00 -0.77 0.00 0.00 57.85 54.87 1nqx n ARG 127 Cb 0.46 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.45 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 1.34 5.42 0.00 7.54 0.00 -0.84 -1.48 120.51 132.48 1nqx n ALA 128 Ca 0.16 -4.21 0.00 0.00 0.00 0.00 0.00 53.44 49.38 1nqx n ALA 128 Cb 0.57 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.53 1.01 0.00 0.00 0.00 0.65 -4.71 105.19 101.61 1nqx n GLY 129 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.97 0.00 0.29 2.61 -2.24 -1.18 -4.93 114.28 106.86 1nqx n THR 130 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 1nqx n THR 130 Cb 0.00 0.00 0.86 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.56 -0.78 2.10 -1.83 -1.25 116.57 114.25 1nqx h LYS 131 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.39 1nqx h LYS 131 Cb 0.00 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.18 1nqx h LYS 131 CO 0.00 0.00 0.17 0.72 -2.00 0.00 0.00 179.45 178.34 1nqx n HIS 132 N -3.99 1.76 -3.65 0.07 8.25 0.37 -5.05 115.22 112.98 1nqx n HIS 132 Ca -0.03 -1.55 0.00 0.00 -0.26 0.00 0.00 57.72 55.88 1nqx n HIS 132 Cb 0.09 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 30.58 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 -0.96 -0.98 2.72 -1.41 0.00 -0.47 -4.66 105.19 99.43 1nqx n GLY 133 Ca 0.40 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 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 2.93 0.52 1.61 3.84 -1.25 -0.26 114.94 118.33 1nqx s ASN 134 Ca 0.00 -0.85 0.23 0.00 0.21 0.00 0.00 52.86 52.45 1nqx s ASN 134 Cb 0.00 -0.57 1.41 0.00 -0.55 0.00 0.00 41.25 41.55 1nqx s ASN 134 CO 0.00 -0.32 2.11 0.50 -2.79 0.00 0.00 177.10 176.60 1nqx h LYS 135 N 8.26 0.00 -0.33 0.43 1.63 -1.58 -1.92 116.57 123.07 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 1.12 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 1nqx h LYS 135 CO 0.34 0.10 -0.06 0.78 -3.45 0.00 0.00 179.45 177.16 1nqx h GLY 136 N 0.47 0.67 0.99 5.01 0.00 -1.82 -0.73 103.07 107.65 1nqx h GLY 136 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1nqx h GLY 136 CO 0.01 0.49 0.33 -0.25 0.00 0.00 0.00 176.54 177.12 1nqx h TRP 137 N 0.40 0.81 -0.32 5.60 7.01 -1.53 -1.10 115.95 126.81 1nqx h TRP 137 Ca 0.08 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1nqx h TRP 137 Cb 0.55 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1nqx h TRP 137 CO 0.05 0.58 0.14 1.49 -2.79 0.00 0.00 178.44 177.90 1nqx h GLU 138 N 0.80 0.47 -0.31 2.65 4.81 -1.25 -0.07 114.58 121.67 1nqx h GLU 138 Ca 0.21 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1nqx h GLU 138 Cb 0.04 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1nqx h GLU 138 CO -0.03 0.46 -0.16 0.00 -0.73 0.00 0.00 179.01 178.55 1nqx h ALA 139 N 0.98 1.15 -0.29 2.92 0.00 -1.04 -1.06 119.26 121.92 1nqx h ALA 139 Ca 0.11 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1nqx h ALA 139 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1nqx h ALA 139 CO -0.01 0.54 0.03 0.00 0.00 0.00 0.00 179.25 179.81 1nqx h ALA 140 N 1.33 0.39 -0.58 0.00 0.00 -0.88 -1.14 119.26 118.39 1nqx h ALA 140 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nqx h ALA 140 Cb 0.56 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1nqx h ALA 140 CO 0.04 0.10 0.38 1.25 0.00 0.00 0.00 179.25 181.01 1nqx h LEU 141 N 0.31 0.67 -0.82 0.00 5.85 -0.75 -0.45 115.31 120.11 1nqx h LEU 141 Ca 0.09 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1nqx h LEU 141 Cb 0.37 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1nqx h LEU 141 CO 0.01 0.49 0.50 -1.28 -0.34 0.00 0.00 178.44 177.82 1nqx h SER 142 N 0.78 0.77 -0.58 1.25 0.87 -1.07 -1.76 113.55 113.82 1nqx h SER 142 Ca 0.21 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.71 1nqx h SER 142 Cb -0.08 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 1nqx h SER 142 CO -0.04 0.49 0.06 0.00 -0.53 0.00 0.00 176.83 176.81 1nqx h ALA 143 N 1.40 0.97 0.07 6.23 0.00 -0.31 0.10 119.26 127.72 1nqx h ALA 143 Ca 0.36 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1nqx h ALA 143 Cb 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1nqx h ALA 143 CO -0.18 0.64 -0.15 0.82 0.00 0.00 0.00 179.25 180.38 1nqx h ILE 144 N 0.94 0.66 -0.34 0.00 2.04 -0.79 0.06 117.51 120.08 1nqx h ILE 144 Ca 0.18 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.05 1nqx h ILE 144 Cb 0.46 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1nqx h ILE 144 CO 0.02 0.00 0.21 -0.08 0.00 0.00 0.00 178.15 178.29 1nqx h GLU 145 N -0.28 0.41 -0.50 2.37 4.81 -0.99 -1.40 114.58 118.99 1nqx h GLU 145 Ca 0.03 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1nqx h GLU 145 Cb 0.30 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1nqx h GLU 145 CO -0.09 0.27 -0.08 0.52 -0.73 0.00 0.00 179.01 178.90 1nqx h MET 146 N 0.42 0.91 -0.46 1.92 2.86 -0.86 0.69 114.93 120.41 1nqx h MET 146 Ca 0.13 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 1nqx h MET 146 Cb -0.01 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1nqx h MET 146 CO -0.06 0.95 0.15 0.00 1.06 0.00 0.00 176.91 179.02 1nqx h ALA 147 N 1.08 0.60 -0.60 6.32 0.00 -0.79 0.76 119.26 126.63 1nqx h ALA 147 Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1nqx h ALA 147 Cb 0.60 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1nqx h ALA 147 CO 0.04 0.25 0.21 -0.91 0.00 0.00 0.00 179.25 178.84 1nqx h ASN 148 N 0.61 0.86 -0.46 0.00 2.35 -1.02 -2.49 115.58 115.42 1nqx h ASN 148 Ca 0.15 -0.19 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1nqx h ASN 148 Cb 0.26 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 1nqx h ASN 148 CO -0.01 0.82 0.23 0.25 -1.65 0.00 0.00 177.43 177.08 1nqx h LEU 149 N 0.85 0.34 -1.69 1.61 5.85 -0.56 -2.46 115.31 119.26 1nqx h LEU 149 Ca 0.20 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1nqx h LEU 149 Cb 0.26 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1nqx h LEU 149 CO -0.01 0.24 -0.18 -0.26 -0.34 0.00 0.00 178.44 177.89 1nqx h PHE 150 N 0.47 0.00 -0.43 1.25 -1.00 -0.68 -0.40 116.94 116.15 1nqx h PHE 150 Ca 0.20 0.00 0.11 0.00 2.81 0.00 0.00 57.97 61.09 1nqx h PHE 150 Cb 0.10 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 1nqx h PHE 150 CO -0.10 0.18 0.30 0.87 -1.61 0.00 0.00 178.31 177.95 1nqx h LYS 151 N 0.00 0.08 0.00 1.51 1.57 -0.97 -0.31 116.57 118.45 1nqx h LYS 151 Ca -0.00 -0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 1nqx h LYS 151 Cb 0.43 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 1nqx h LYS 151 CO 0.02 0.05 -2.08 -1.13 -0.57 0.00 0.00 179.45 175.75 1nqx n SER 152 N -4.43 1.37 0.12 0.86 3.41 -0.71 -4.73 113.62 109.50 1nqx n SER 152 Ca 0.07 -0.02 -0.21 0.00 -0.26 0.00 0.00 58.87 58.46 1nqx n SER 152 Cb 0.45 0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 64.95 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 0.71 0.00 1.04 5.85 -0.82 -3.53 115.31 118.56 1nqx h LEU 153 Ca -0.43 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 57.58 1nqx h LEU 153 Cb 1.92 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.72 1nqx h LEU 153 CO 0.01 1.54 0.00 -1.14 -0.34 0.00 0.00 178.44 178.51