#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axj s LEU 2 N 0.00 2.00 0.76 4.03 1.02 -1.26 -3.53 118.68 121.69 1axj s LEU 2 Ca 0.00 -0.69 -0.11 0.00 0.02 0.00 0.00 54.13 53.35 1axj s LEU 2 Cb 0.00 0.50 0.05 0.00 0.02 0.00 0.00 46.19 46.76 1axj s LEU 2 CO 0.00 -0.55 1.09 -2.16 0.02 0.00 0.00 176.35 174.75 1axj s PRO 3 N -3.09 2.35 0.28 1.29 0.04 -1.26 -4.95 135.00 129.65 1axj s PRO 3 Ca -0.01 1.17 -0.04 0.00 0.04 0.00 0.00 61.00 62.16 1axj s PRO 3 Cb 0.02 -1.91 0.37 0.00 0.04 0.00 0.00 34.50 33.02 1axj s PRO 3 CO -0.07 -1.57 1.93 0.78 0.04 0.00 0.00 177.00 178.12 1axj h GLY 4 N -1.01 1.23 0.37 0.56 0.00 -2.01 -2.43 103.07 99.78 1axj h GLY 4 Ca -0.44 -0.49 0.15 0.00 0.00 0.00 0.00 47.33 46.56 1axj h GLY 4 CO 0.52 0.47 0.61 -0.84 0.00 0.00 0.00 176.54 177.30 1axj h THR 5 N 1.17 0.81 -0.14 4.70 2.02 -1.99 -0.66 112.91 118.83 1axj h THR 5 Ca 0.31 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 67.26 1axj h THR 5 Cb -0.08 -0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 66.21 1axj h THR 5 CO -0.06 0.14 -0.37 0.15 0.37 0.00 0.00 175.52 175.75 1axj h PHE 6 N 0.79 -1.04 -0.17 3.16 3.04 -1.81 -0.38 116.94 120.53 1axj h PHE 6 Ca 0.50 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.51 1axj h PHE 6 Cb 0.73 0.48 -0.01 0.00 2.56 0.00 0.00 35.95 39.71 1axj h PHE 6 CO -0.00 -0.44 0.09 0.74 -2.02 0.00 0.00 178.31 176.68 1axj h PHE 7 N -0.44 0.17 -0.92 0.41 0.04 -1.25 -0.98 116.94 113.96 1axj h PHE 7 Ca 0.09 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.94 1axj h PHE 7 Cb 0.59 -0.05 -0.07 0.00 2.20 0.00 0.00 35.95 38.62 1axj h PHE 7 CO -0.45 0.10 0.58 0.93 -0.60 0.00 0.00 178.31 178.86 1axj h GLU 8 N 0.19 0.99 -0.32 1.51 4.39 -1.05 -0.54 114.58 119.75 1axj h GLU 8 Ca 0.07 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 1axj h GLU 8 Cb 0.01 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.43 1axj h GLU 8 CO -0.04 0.66 -0.37 0.28 -1.16 0.00 0.00 179.01 178.37 1axj h VAL 9 N 1.02 1.29 -0.77 3.13 2.07 -0.61 -2.99 116.25 119.39 1axj h VAL 9 Ca 0.41 -1.54 0.07 0.00 0.82 0.00 0.00 66.70 66.46 1axj h VAL 9 Cb 0.23 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1axj h VAL 9 CO -0.19 0.50 0.45 -0.07 0.02 0.00 0.00 177.57 178.28 1axj h LEU 10 N 0.60 0.67 -1.61 2.57 -0.00 -0.60 -0.59 115.31 116.35 1axj h LEU 10 Ca 0.05 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1axj h LEU 10 Cb 0.96 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.52 1axj h LEU 10 CO 0.09 0.41 0.38 0.11 -0.00 0.00 0.00 178.44 179.43 1axj h LYS 11 N 0.80 0.00 -5.61 1.13 1.57 -0.96 -3.44 116.57 110.06 1axj h LYS 11 Ca 0.35 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.51 1axj h LYS 11 Cb 0.24 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.46 1axj h LYS 11 CO -0.20 0.00 -0.47 -0.80 -0.57 0.00 0.00 179.45 177.40 1axj s ASN 12 N -4.11 4.29 0.12 0.86 0.01 -0.23 -5.11 114.94 110.78 1axj s ASN 12 Ca -0.03 -1.37 -0.30 0.00 -0.71 0.00 0.00 52.86 50.45 1axj s ASN 12 Cb 0.07 0.10 -0.07 0.00 0.41 0.00 0.00 41.25 41.76 1axj s ASN 12 CO 0.22 -0.77 1.21 -0.70 -1.51 0.00 0.00 177.10 175.55 1axj s GLU 13 N -3.95 4.46 0.08 -0.60 -6.30 -1.26 -4.69 118.70 106.43 1axj s GLU 13 Ca 0.26 1.83 -0.27 0.00 -2.50 0.00 0.00 54.97 54.29 1axj s GLU 13 Cb 0.03 -3.29 0.08 0.00 0.00 0.00 0.00 34.13 30.95 1axj s GLU 13 CO 0.14 -0.18 0.97 0.20 0.02 0.00 0.00 175.26 176.41 1axj s GLY 14 N 0.60 -0.33 0.02 -1.50 0.00 -1.26 -4.46 107.32 100.39 1axj s GLY 14 Ca 0.56 0.52 -0.01 0.00 0.00 0.00 0.00 44.72 45.79 1axj s GLY 14 CO 0.33 0.14 0.18 0.14 0.00 0.00 0.00 173.10 173.88 1axj s VAL 15 N -3.13 5.28 0.18 1.40 1.01 -0.54 -1.49 120.40 123.12 1axj s VAL 15 Ca 0.10 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1axj s VAL 15 Cb -0.01 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 1axj s VAL 15 CO -0.02 0.24 -0.13 -0.69 0.00 0.00 0.00 175.10 174.50 1axj s VAL 16 N -1.39 1.56 0.04 2.92 1.01 0.26 -0.75 120.40 124.05 1axj s VAL 16 Ca 0.30 -2.12 -0.08 0.00 0.00 0.00 0.00 61.98 60.08 1axj s VAL 16 Cb -0.13 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 1axj s VAL 16 CO 0.22 -0.61 0.16 0.00 0.00 0.00 0.00 175.10 174.87 1axj s ALA 17 N -2.95 -0.24 -0.12 5.51 0.00 0.81 -0.79 121.76 123.97 1axj s ALA 17 Ca 0.20 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 1axj s ALA 17 Cb -0.00 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.43 1axj s ALA 17 CO 0.05 -0.34 0.07 0.42 0.00 0.00 0.00 175.76 175.95 1axj s ILE 18 N -2.58 0.00 -0.48 0.00 1.09 -0.34 -0.67 121.20 118.22 1axj s ILE 18 Ca -0.05 0.01 -0.23 0.00 -1.10 0.00 0.00 60.65 59.29 1axj s ILE 18 Cb -0.01 -0.48 0.03 0.00 -1.06 0.00 0.00 42.46 40.94 1axj s ILE 18 CO -0.04 -0.08 0.79 0.00 -0.10 0.00 0.00 174.94 175.51 1axj s ALA 19 N 2.11 3.27 -0.33 9.38 0.00 0.70 -0.91 121.76 135.98 1axj s ALA 19 Ca 0.03 -1.18 -0.22 0.00 0.00 0.00 0.00 51.96 50.59 1axj s ALA 19 Cb -0.15 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 1axj s ALA 19 CO -0.07 -2.04 0.71 0.99 0.00 0.00 0.00 175.76 175.36 1axj s THR 20 N 3.33 4.84 0.25 0.00 2.01 -0.53 -0.64 115.64 124.90 1axj s THR 20 Ca 0.27 0.91 -0.30 0.00 0.31 0.00 0.00 61.69 62.89 1axj s THR 20 Cb -0.13 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.18 1axj s THR 20 CO 0.20 -0.27 1.15 -1.58 -0.69 0.00 0.00 174.62 173.43 1axj s GLN 21 N 2.84 4.57 0.00 4.92 2.00 0.23 -1.15 119.66 133.06 1axj s GLN 21 Ca 0.28 1.85 0.00 0.00 -2.00 0.00 0.00 55.36 55.50 1axj s GLN 21 Cb -0.14 -3.20 0.00 0.00 0.80 0.00 0.00 33.01 30.47 1axj s GLN 21 CO 0.14 0.08 0.00 0.41 -0.50 0.00 0.00 175.29 175.41 1axj n GLY 22 N 1.52 0.13 2.23 2.59 0.00 -1.26 -4.14 105.19 106.26 1axj n GLY 22 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1axj n GLY 22 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1axj n GLU 23 N -0.84 0.00 -1.02 1.61 2.13 -1.26 -4.43 120.64 116.82 1axj n GLU 23 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 1axj n GLU 23 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 1axj n GLU 23 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1axj n ASP 24 N -3.43 5.81 -0.05 4.31 5.75 -1.26 -4.82 116.55 122.87 1axj n ASP 24 Ca 0.00 -2.46 0.00 0.00 -0.01 0.00 0.00 54.79 52.32 1axj n ASP 24 Cb 0.00 -1.39 -0.00 0.00 -1.03 0.00 0.00 41.12 38.70 1axj n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1axj n GLY 25 N 2.80 -2.82 3.76 6.12 0.00 -1.26 -4.94 105.19 108.85 1axj n GLY 25 Ca 0.49 -1.29 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 1axj n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1axj s PRO 26 N -4.00 3.10 -0.49 1.61 0.04 -1.26 -4.24 135.00 129.77 1axj s PRO 26 Ca 0.00 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.65 1axj s PRO 26 Cb 0.00 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.69 1axj s PRO 26 CO 0.00 -1.08 0.39 -1.58 0.04 0.00 0.00 177.00 174.77 1axj s HIS 27 N -1.68 3.32 -0.98 0.56 2.46 -0.30 -4.80 115.29 113.87 1axj s HIS 27 Ca 0.76 -1.44 -0.19 0.00 0.47 0.00 0.00 55.06 54.66 1axj s HIS 27 Cb -0.28 -3.45 0.12 0.00 -0.13 0.00 0.00 32.58 28.84 1axj s HIS 27 CO 0.31 -0.94 1.23 -1.17 -2.47 0.00 0.00 174.74 171.70 1axj s LEU 28 N 1.51 4.72 0.87 8.88 0.20 -1.26 -1.45 118.68 132.15 1axj s LEU 28 Ca 0.04 -2.02 -0.12 0.00 0.69 0.00 0.00 54.13 52.72 1axj s LEU 28 Cb -0.27 -2.44 0.12 0.00 -0.43 0.00 0.00 46.19 43.17 1axj s LEU 28 CO 0.02 -1.13 1.14 0.68 -0.29 0.00 0.00 176.35 176.78 1axj s VAL 29 N 3.08 2.14 0.37 1.68 -7.23 -0.09 -4.79 120.40 115.57 1axj s VAL 29 Ca 0.37 0.05 0.08 0.00 -1.81 0.00 0.00 61.98 60.67 1axj s VAL 29 Cb -0.03 -2.85 -0.07 0.00 0.56 0.00 0.00 36.38 33.99 1axj s VAL 29 CO -0.08 -0.06 -0.03 0.20 -0.31 0.00 0.00 175.10 174.81 1axj s ASN 30 N -4.13 3.87 0.14 4.85 0.02 -1.26 -1.20 114.94 117.23 1axj s ASN 30 Ca 0.63 -1.23 -0.24 0.00 -1.02 0.00 0.00 52.86 51.00 1axj s ASN 30 Cb -0.14 -0.39 0.08 0.00 0.02 0.00 0.00 41.25 40.81 1axj s ASN 30 CO 0.52 -0.31 1.04 0.28 0.02 0.00 0.00 177.10 178.66 1axj s THR 31 N -2.63 0.00 0.00 1.60 -1.32 0.03 -4.90 115.64 108.42 1axj s THR 31 Ca 0.34 -0.57 0.08 0.00 -1.21 0.00 0.00 61.69 60.34 1axj s THR 31 Cb 0.05 -2.42 -0.02 0.00 -1.51 0.00 0.00 72.50 68.59 1axj s THR 31 CO 0.18 0.00 -0.25 0.26 -2.21 0.00 0.00 174.62 172.59 1axj s TRP 32 N -2.65 2.25 0.50 9.09 0.52 -1.26 -0.58 118.94 126.81 1axj s TRP 32 Ca 0.17 -0.42 0.22 0.00 0.02 0.00 0.00 56.10 56.10 1axj s TRP 32 Cb -0.01 -1.41 1.30 0.00 -1.15 0.00 0.00 33.47 32.19 1axj s TRP 32 CO 0.03 0.02 1.98 -0.91 0.02 0.00 0.00 176.95 178.08 1axj h ASN 33 N 5.26 0.11 0.00 2.95 2.35 -1.55 -0.87 115.58 123.84 1axj h ASN 33 Ca -0.44 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1axj h ASN 33 Cb 1.13 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1axj h ASN 33 CO 0.46 0.06 0.01 -0.24 -1.65 0.00 0.00 177.43 176.06 1axj n SER 34 N -4.41 0.00 -0.07 5.81 2.88 -1.26 -1.72 113.62 114.85 1axj n SER 34 Ca 0.11 0.44 0.01 0.00 -1.33 0.00 0.00 58.87 58.10 1axj n SER 34 Cb 0.58 -0.44 0.01 0.00 -0.75 0.00 0.00 64.21 63.61 1axj n SER 34 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1axj n TYR 35 N -1.44 0.00 -3.41 0.66 4.01 -0.33 -5.06 117.16 111.59 1axj n TYR 35 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1axj n TYR 35 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 1axj n TYR 35 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1axj s LEU 36 N -0.52 3.49 0.00 7.72 1.43 -0.70 -4.30 118.68 125.81 1axj s LEU 36 Ca 0.02 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1axj s LEU 36 Cb 0.02 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 1axj s LEU 36 CO 0.04 -0.66 -0.05 -1.59 0.23 0.00 0.00 176.35 174.31 1axj s LYS 37 N -4.19 0.39 0.01 1.70 -2.85 -0.73 -5.00 119.74 109.08 1axj s LYS 37 Ca 0.50 -0.25 -0.03 0.00 -1.00 0.00 0.00 55.97 55.18 1axj s LYS 37 Cb -0.05 -0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 35.33 1axj s LYS 37 CO 0.29 0.09 0.21 0.08 0.10 0.00 0.00 175.35 176.12 1axj s VAL 38 N -0.31 5.39 0.21 1.79 1.01 -1.26 -0.47 120.40 126.76 1axj s VAL 38 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1axj s VAL 38 Cb -0.03 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 1axj s VAL 38 CO -0.00 0.28 0.01 0.18 0.00 0.00 0.00 175.10 175.57 1axj n LEU 39 N 0.80 0.00 -4.62 3.92 4.77 0.47 -4.93 117.00 117.40 1axj n LEU 39 Ca -0.09 -1.35 -0.32 0.00 -0.03 0.00 0.00 56.01 54.21 1axj n LEU 39 Cb 0.52 0.20 0.15 0.00 -2.33 0.00 0.00 43.42 41.96 1axj n LEU 39 CO 0.45 -0.19 0.54 -0.67 -1.33 0.00 0.00 177.39 176.19 1axj n ASP 40 N -1.24 0.02 -3.33 -1.43 2.03 -1.26 -3.75 116.55 107.58 1axj n ASP 40 Ca -0.08 0.45 -0.24 0.00 0.52 0.00 0.00 54.79 55.44 1axj n ASP 40 Cb 0.27 -1.43 0.01 0.00 -0.72 0.00 0.00 41.12 39.25 1axj n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1axj n GLY 41 N 0.59 -0.49 2.21 0.27 0.00 -1.26 -0.84 105.19 105.67 1axj n GLY 41 Ca 0.11 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 1axj n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1axj n ASN 42 N -2.39 -4.05 -4.81 1.61 2.04 -1.25 -4.78 115.26 101.64 1axj n ASN 42 Ca -0.03 0.30 -0.32 0.00 -0.44 0.00 0.00 54.58 54.09 1axj n ASN 42 Cb 0.56 -3.63 0.04 0.00 -2.53 0.00 0.00 39.78 34.21 1axj n ASN 42 CO 0.00 0.00 0.00 -0.60 -0.44 0.00 0.00 177.26 176.22 1axj s ARG 43 N -3.74 3.01 0.21 -3.83 3.52 -0.02 -3.98 118.95 114.12 1axj s ARG 43 Ca 0.00 1.07 -0.02 0.00 -0.13 0.00 0.00 55.73 56.66 1axj s ARG 43 Cb 0.00 -2.00 -0.04 0.00 -1.56 0.00 0.00 34.95 31.36 1axj s ARG 43 CO 0.00 -1.05 0.16 0.42 -0.81 0.00 0.00 175.30 174.02 1axj s ILE 44 N -2.81 0.00 -0.07 4.11 1.01 0.63 -0.40 121.20 123.67 1axj s ILE 44 Ca 0.60 -1.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.23 1axj s ILE 44 Cb -0.15 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.85 1axj s ILE 44 CO 0.48 0.00 0.18 -0.69 0.00 0.00 0.00 174.94 174.91 1axj s VAL 45 N -4.13 0.00 -0.06 2.92 1.01 0.38 -0.51 120.40 120.00 1axj s VAL 45 Ca 0.38 -0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.40 1axj s VAL 45 Cb 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 36.19 1axj s VAL 45 CO 0.12 -0.00 -0.21 -0.69 0.00 0.00 0.00 175.10 174.32 1axj s VAL 46 N 0.08 1.75 -0.50 2.92 1.01 0.17 -1.77 120.40 124.06 1axj s VAL 46 Ca -0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1axj s VAL 46 Cb -0.01 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1axj s VAL 46 CO 0.00 0.49 1.25 -2.16 0.00 0.00 0.00 175.10 174.69 1axj s PRO 47 N 0.08 3.58 -0.42 2.72 0.04 -1.26 -0.41 135.00 139.32 1axj s PRO 47 Ca -0.08 0.56 -0.25 0.00 0.04 0.00 0.00 61.00 61.27 1axj s PRO 47 Cb -0.14 -3.99 0.02 0.00 0.04 0.00 0.00 34.50 30.43 1axj s PRO 47 CO 0.04 -1.57 0.88 0.54 0.04 0.00 0.00 177.00 176.92 1axj s VAL 48 N 5.02 4.57 -0.02 -0.36 0.11 -0.26 -4.85 120.40 124.61 1axj s VAL 48 Ca 0.50 0.81 0.08 0.00 -2.93 0.00 0.00 61.98 60.45 1axj s VAL 48 Cb -0.09 -4.35 -0.13 0.00 -1.53 0.00 0.00 36.38 30.28 1axj s VAL 48 CO 0.30 -0.68 0.17 0.61 -3.33 0.00 0.00 175.10 172.16 1axj n GLY 49 N 4.75 -0.39 2.38 6.54 0.00 -1.26 -0.25 105.19 116.96 1axj n GLY 49 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1axj n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1axj n GLY 50 N 2.08 1.08 2.83 -0.02 0.00 -1.26 -4.58 105.19 105.32 1axj n GLY 50 Ca -0.03 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1axj n GLY 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1axj n MET 51 N -1.02 3.62 0.20 1.61 2.00 -1.26 -4.96 117.12 117.31 1axj n MET 51 Ca -0.13 -4.59 -0.08 0.00 0.00 0.00 0.00 57.70 52.90 1axj n MET 51 Cb 0.77 -2.42 -0.04 0.00 0.00 0.00 0.00 33.22 31.53 1axj n MET 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1axj h HIS 52 N 5.10 -0.49 -0.97 2.03 3.86 -1.99 -0.61 115.15 122.08 1axj h HIS 52 Ca 0.20 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.57 1axj h HIS 52 Cb 0.66 0.16 -0.10 0.00 1.06 0.00 0.00 27.41 29.19 1axj h HIS 52 CO 0.88 -0.31 0.57 -0.22 0.86 0.00 0.00 177.93 179.71 1axj h LYS 53 N -0.75 0.73 -0.91 2.45 3.64 -1.99 -0.29 116.57 119.44 1axj h LYS 53 Ca -0.05 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1axj h LYS 53 Cb 0.41 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1axj h LYS 53 CO 0.09 0.48 0.59 1.15 -2.27 0.00 0.00 179.45 179.50 1axj h THR 54 N 0.75 1.24 -0.20 1.00 2.02 -1.90 0.34 112.91 116.15 1axj h THR 54 Ca 0.54 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 67.29 1axj h THR 54 Cb 0.80 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1axj h THR 54 CO -0.37 0.23 0.06 -0.08 0.37 0.00 0.00 175.52 175.74 1axj h GLU 55 N 1.24 0.15 -0.84 6.66 4.81 0.57 0.26 114.58 127.43 1axj h GLU 55 Ca 0.33 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1axj h GLU 55 Cb -0.13 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 1axj h GLU 55 CO -0.07 0.10 0.50 0.00 -0.73 0.00 0.00 179.01 178.81 1axj h ALA 56 N 1.13 1.07 -0.57 2.92 0.00 -0.94 -1.83 119.26 121.04 1axj h ALA 56 Ca 0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1axj h ALA 56 Cb 0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1axj h ALA 56 CO -0.10 0.54 0.10 -0.91 0.00 0.00 0.00 179.25 178.88 1axj h ASN 57 N 1.15 0.91 -0.16 0.00 4.21 0.10 0.85 115.58 122.64 1axj h ASN 57 Ca 0.30 -0.26 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 1axj h ASN 57 Cb -0.04 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 36.91 1axj h ASN 57 CO -0.06 0.93 0.08 0.58 -1.29 0.00 0.00 177.43 177.68 1axj h VAL 58 N 0.84 1.10 -0.15 2.81 2.07 -0.77 0.20 116.25 122.36 1axj h VAL 58 Ca 0.18 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1axj h VAL 58 Cb 0.41 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1axj h VAL 58 CO 0.01 0.10 0.16 0.00 0.02 0.00 0.00 177.57 177.86 1axj h ALA 59 N 0.97 1.77 0.12 1.67 0.00 -0.92 -2.97 119.26 119.90 1axj h ALA 59 Ca 0.06 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 1axj h ALA 59 Cb 0.08 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1axj h ALA 59 CO -0.01 -0.24 -0.95 0.00 0.00 0.00 0.00 179.25 178.05 1axj h ARG 60 N 0.00 0.25 -2.73 0.00 2.47 0.44 -3.48 114.38 111.33 1axj h ARG 60 Ca 0.07 -0.42 -0.12 0.00 -1.26 0.00 0.00 59.98 58.24 1axj h ARG 60 Cb 0.40 0.16 -0.25 0.00 -1.65 0.00 0.00 29.97 28.62 1axj h ARG 60 CO -0.00 1.20 -0.27 0.34 0.56 0.00 0.00 179.97 181.80 1axj s ASP 61 N -6.93 -0.45 0.52 7.04 2.15 0.58 -4.99 116.67 114.59 1axj s ASP 61 Ca -0.17 0.83 0.30 0.00 0.43 0.00 0.00 52.55 53.95 1axj s ASP 61 Cb 0.02 0.79 1.30 0.00 -0.30 0.00 0.00 42.92 44.73 1axj s ASP 61 CO 0.79 -0.16 1.97 1.05 -0.17 0.00 0.00 175.17 178.65 1axj h GLU 62 N 6.12 0.00 -6.61 4.34 -0.00 -1.82 -3.34 114.58 113.26 1axj h GLU 62 Ca -0.31 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.53 1axj h GLU 62 Cb 1.18 0.00 0.05 0.00 -0.00 0.00 0.00 28.75 29.98 1axj h GLU 62 CO 0.27 0.09 1.01 1.03 -0.00 0.00 0.00 179.01 181.41 1axj s ARG 63 N -3.76 4.14 0.04 1.06 1.81 -1.26 -0.26 118.95 120.73 1axj s ARG 63 Ca 0.00 2.56 -0.00 0.00 -1.72 0.00 0.00 55.73 56.57 1axj s ARG 63 Cb 0.10 -3.21 -0.03 0.00 -0.45 0.00 0.00 34.95 31.36 1axj s ARG 63 CO 0.57 -0.75 -0.03 0.14 -0.68 0.00 0.00 175.30 174.55 1axj s VAL 64 N 1.54 0.22 0.12 3.52 -7.23 -0.03 -0.61 120.40 117.93 1axj s VAL 64 Ca 0.75 -1.38 0.07 0.00 -1.81 0.00 0.00 61.98 59.61 1axj s VAL 64 Cb -0.48 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 1axj s VAL 64 CO 0.33 -0.74 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.10 1axj s LEU 65 N -2.20 3.18 -0.01 1.32 0.20 0.19 -1.52 118.68 119.84 1axj s LEU 65 Ca -0.04 -0.35 0.00 0.00 0.69 0.00 0.00 54.13 54.44 1axj s LEU 65 Cb -0.01 -1.94 0.01 0.00 -0.43 0.00 0.00 46.19 43.83 1axj s LEU 65 CO -0.05 0.16 0.00 -0.32 -0.29 0.00 0.00 176.35 175.85 1axj s MET 66 N -2.39 0.11 -0.11 1.98 -2.45 0.13 -0.22 119.30 116.35 1axj s MET 66 Ca 0.24 0.04 0.03 0.00 -1.25 0.00 0.00 55.69 54.75 1axj s MET 66 Cb -0.11 -0.21 0.00 0.00 1.25 0.00 0.00 34.83 35.76 1axj s MET 66 CO 0.16 -0.05 -0.22 0.95 1.05 0.00 0.00 175.02 176.90 1axj s THR 67 N 0.45 1.95 0.36 10.11 -4.23 0.16 -0.67 115.64 123.76 1axj s THR 67 Ca -0.04 -0.94 0.09 0.00 -1.18 0.00 0.00 61.69 59.62 1axj s THR 67 Cb -0.06 -1.70 -0.06 0.00 1.34 0.00 0.00 72.50 72.02 1axj s THR 67 CO -0.01 0.53 0.01 -1.48 -0.54 0.00 0.00 174.62 173.13 1axj s LEU 68 N 0.53 2.94 0.16 4.79 0.05 -0.64 -0.14 118.68 126.37 1axj s LEU 68 Ca -0.15 -1.08 -0.23 0.00 0.05 0.00 0.00 54.13 52.72 1axj s LEU 68 Cb -0.17 -1.25 0.08 0.00 -2.05 0.00 0.00 46.19 42.80 1axj s LEU 68 CO 0.05 -0.29 1.06 -0.83 -0.55 0.00 0.00 176.35 175.80 1axj s GLY 69 N -3.72 0.06 0.28 -3.48 0.00 0.07 -0.83 107.32 99.71 1axj s GLY 69 Ca 0.35 -0.25 -0.21 0.00 0.00 0.00 0.00 44.72 44.62 1axj s GLY 69 CO 0.19 2.50 0.72 -0.45 0.00 0.00 0.00 173.10 176.06 1axj s SER 70 N -3.40 -0.25 0.00 1.64 0.15 -0.71 -1.46 113.70 109.67 1axj s SER 70 Ca 0.22 -0.64 0.21 0.00 0.70 0.00 0.00 55.95 56.45 1axj s SER 70 Cb -0.02 0.73 -0.15 0.00 -1.71 0.00 0.00 66.02 64.87 1axj s SER 70 CO 0.04 -1.36 0.96 0.54 1.20 0.00 0.00 173.24 174.63 1axj n ARG 71 N -0.46 0.15 0.01 5.44 1.74 -1.26 -3.16 116.66 119.12 1axj n ARG 71 Ca -0.04 -0.13 0.12 0.00 -0.77 0.00 0.00 57.85 57.03 1axj n ARG 71 Cb 0.59 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.69 1axj n ARG 71 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1axj n LYS 72 N -1.31 0.08 -4.45 5.56 5.02 -1.26 -4.74 118.16 117.05 1axj n LYS 72 Ca 0.05 0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 56.14 1axj n LYS 72 Cb 0.35 -1.53 -0.15 0.00 -0.02 0.00 0.00 35.03 33.67 1axj n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1axj s VAL 73 N -3.05 0.86 0.04 -0.18 1.01 -1.26 -5.06 120.40 112.76 1axj s VAL 73 Ca 0.09 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 1axj s VAL 73 Cb 0.16 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1axj s VAL 73 CO 0.74 0.26 1.01 0.00 0.00 0.00 0.00 175.10 177.11 1axj s ALA 74 N 0.08 3.22 0.00 5.51 0.00 -1.26 -1.15 121.76 128.16 1axj s ALA 74 Ca -0.01 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1axj s ALA 74 Cb -0.08 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1axj s ALA 74 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1axj n GLY 75 N 2.74 4.42 0.06 0.00 0.00 -1.12 -4.58 105.19 106.71 1axj n GLY 75 Ca 0.05 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 1axj n GLY 75 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1axj h ARG 76 N 0.00 0.00 -5.96 1.61 2.47 -0.57 -3.43 114.38 108.50 1axj h ARG 76 Ca 0.00 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.13 1axj h ARG 76 Cb 0.00 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.21 1axj h ARG 76 CO 0.00 0.12 0.73 0.54 0.56 0.00 0.00 179.97 181.92 1axj s ASN 77 N -5.67 6.27 0.84 7.04 6.03 -1.09 -4.94 114.94 123.42 1axj s ASN 77 Ca -0.05 -0.49 0.00 0.00 -1.03 0.00 0.00 52.86 51.30 1axj s ASN 77 Cb 0.00 -2.48 0.00 0.00 -3.03 0.00 0.00 41.25 35.74 1axj s ASN 77 CO 0.11 -1.46 0.00 0.61 -2.03 0.00 0.00 177.10 174.33 1axj n GLY 78 N 5.23 -0.59 2.34 0.45 0.00 -1.26 -3.49 105.19 107.86 1axj n GLY 78 Ca 0.01 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 1axj n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1axj n PRO 79 N -1.49 3.35 -3.66 1.61 -0.04 -1.26 -2.81 135.00 130.69 1axj n PRO 79 Ca 0.00 -2.01 -0.07 0.00 -0.04 0.00 0.00 63.50 61.38 1axj n PRO 79 Cb 0.00 -2.70 -0.08 0.00 -0.04 0.00 0.00 33.50 30.68 1axj n PRO 79 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1axj s GLY 80 N 2.36 -0.45 0.40 0.55 0.00 -1.11 -4.50 107.32 104.57 1axj s GLY 80 Ca 0.65 1.72 0.08 0.00 0.00 0.00 0.00 44.72 47.16 1axj s GLY 80 CO -0.05 2.50 0.27 -1.08 0.00 0.00 0.00 173.10 174.74 1axj s THR 81 N 2.55 2.59 0.37 0.90 -1.32 -0.30 -3.13 115.64 117.30 1axj s THR 81 Ca -0.04 -1.52 -0.15 0.00 -1.21 0.00 0.00 61.69 58.78 1axj s THR 81 Cb -0.11 -3.01 0.05 0.00 -1.51 0.00 0.00 72.50 67.92 1axj s THR 81 CO -0.14 -0.03 0.75 -0.83 -2.21 0.00 0.00 174.62 172.16 1axj s GLY 82 N -4.01 0.44 0.00 6.08 0.00 -1.26 -1.74 107.32 106.83 1axj s GLY 82 Ca 0.44 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.39 1axj s GLY 82 CO 0.25 -0.36 -0.05 -1.36 0.00 0.00 0.00 173.10 171.58 1axj s PHE 83 N -2.55 0.44 -0.19 1.90 0.40 -0.01 -0.88 117.98 117.10 1axj s PHE 83 Ca 0.17 -0.14 -0.09 0.00 -0.60 0.00 0.00 56.93 56.26 1axj s PHE 83 Cb -0.05 -0.28 -0.05 0.00 0.51 0.00 0.00 43.02 43.16 1axj s PHE 83 CO 0.12 -0.02 0.11 -1.17 0.70 0.00 0.00 175.22 174.96 1axj s LEU 84 N -0.33 4.10 0.02 -0.37 1.98 -0.36 -1.62 118.68 122.10 1axj s LEU 84 Ca -0.00 0.20 -0.02 0.00 -2.89 0.00 0.00 54.13 51.42 1axj s LEU 84 Cb -0.03 -2.05 -0.02 0.00 0.66 0.00 0.00 46.19 44.76 1axj s LEU 84 CO -0.00 0.19 0.02 -0.63 -1.89 0.00 0.00 176.35 174.04 1axj s ILE 85 N 0.27 0.11 0.07 6.68 1.01 0.15 -1.20 121.20 128.29 1axj s ILE 85 Ca 0.07 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.85 1axj s ILE 85 Cb -0.11 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 1axj s ILE 85 CO -0.01 -0.51 -0.17 -0.13 0.00 0.00 0.00 174.94 174.12 1axj s ARG 86 N -1.69 1.00 0.00 2.79 1.81 -0.58 -0.70 118.95 121.59 1axj s ARG 86 Ca -0.13 -0.99 0.00 0.00 -1.72 0.00 0.00 55.73 52.88 1axj s ARG 86 Cb -0.08 -1.11 0.00 0.00 -0.45 0.00 0.00 34.95 33.31 1axj s ARG 86 CO -0.01 0.26 0.00 0.41 -0.68 0.00 0.00 175.30 175.28 1axj n GLY 87 N 1.36 1.02 3.36 -3.53 0.00 -0.57 -1.14 105.19 105.70 1axj n GLY 87 Ca -0.20 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 1axj n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1axj s SER 88 N -0.43 3.14 0.32 1.61 0.01 -0.50 -0.85 113.70 117.00 1axj s SER 88 Ca 0.00 -0.71 0.08 0.00 1.31 0.00 0.00 55.95 56.63 1axj s SER 88 Cb 0.00 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 1axj s SER 88 CO 0.00 0.17 0.13 0.00 0.41 0.00 0.00 173.24 173.95 1axj s ALA 89 N -1.03 3.46 -0.29 1.44 0.00 0.64 -0.18 121.76 125.80 1axj s ALA 89 Ca 0.12 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 50.23 1axj s ALA 89 Cb -0.10 -0.82 0.12 0.00 0.00 0.00 0.00 23.12 22.32 1axj s ALA 89 CO 0.05 0.10 0.63 0.00 0.00 0.00 0.00 175.76 176.54 1axj s ALA 90 N -2.37 -1.93 0.37 0.00 0.00 0.36 -4.81 121.76 113.38 1axj s ALA 90 Ca 0.36 2.27 -0.26 0.00 0.00 0.00 0.00 51.96 54.34 1axj s ALA 90 Cb -0.04 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.31 1axj s ALA 90 CO 0.23 -0.83 1.09 -0.06 0.00 0.00 0.00 175.76 176.19 1axj s PHE 91 N 2.68 3.29 -0.03 0.00 0.40 -1.26 -0.67 117.98 122.39 1axj s PHE 91 Ca -0.06 1.63 0.02 0.00 -0.60 0.00 0.00 56.93 57.92 1axj s PHE 91 Cb -0.11 -3.24 0.01 0.00 0.51 0.00 0.00 43.02 40.19 1axj s PHE 91 CO -0.18 -0.80 -0.07 1.03 0.70 0.00 0.00 175.22 175.90 1axj s ARG 92 N -2.17 0.86 -0.19 0.44 1.81 0.31 -4.91 118.95 115.10 1axj s ARG 92 Ca 0.54 -0.23 0.13 0.00 -1.72 0.00 0.00 55.73 54.45 1axj s ARG 92 Cb -0.27 -0.82 0.40 0.00 -0.45 0.00 0.00 34.95 33.82 1axj s ARG 92 CO 0.34 0.05 1.21 0.25 -0.68 0.00 0.00 175.30 176.47 1axj n THR 93 N 3.47 2.04 -3.50 0.02 -2.24 -1.26 -0.51 114.28 112.30 1axj n THR 93 Ca -0.20 -2.99 -0.14 0.00 -2.27 0.00 0.00 64.05 58.45 1axj n THR 93 Cb 0.54 -0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.56 1axj n THR 93 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1axj s ASP 94 N -3.12 -0.55 0.00 3.42 2.15 -1.26 -4.96 116.67 112.36 1axj s ASP 94 Ca 0.37 0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.58 1axj s ASP 94 Cb 0.36 0.55 0.00 0.00 -0.30 0.00 0.00 42.92 43.53 1axj s ASP 94 CO -0.06 -0.80 0.00 0.61 -0.17 0.00 0.00 175.17 174.75 1axj n GLY 95 N 0.20 -2.52 0.03 2.66 0.00 -1.26 -3.63 105.19 100.67 1axj n GLY 95 Ca -0.18 -1.73 0.02 0.00 0.00 0.00 0.00 46.02 44.13 1axj n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1axj n PRO 96 N -0.28 0.02 0.16 1.61 -0.04 -1.26 -1.22 135.00 133.99 1axj n PRO 96 Ca 0.00 0.51 -0.07 0.00 -0.04 0.00 0.00 63.50 63.90 1axj n PRO 96 Cb 0.00 -1.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 1axj n PRO 96 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1axj h GLU 97 N 0.00 -0.44 -0.13 0.54 3.07 -1.98 -1.07 114.58 114.57 1axj h GLU 97 Ca 0.00 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1axj h GLU 97 Cb 0.01 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 1axj h GLU 97 CO 0.00 -0.30 0.01 0.35 -1.40 0.00 0.00 179.01 177.67 1axj h PHE 98 N -0.86 0.17 -0.05 4.33 3.57 -1.27 -1.46 116.94 121.37 1axj h PHE 98 Ca -0.05 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1axj h PHE 98 Cb 0.35 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 1axj h PHE 98 CO 0.03 0.18 -0.03 0.93 -2.23 0.00 0.00 178.31 177.19 1axj h GLU 99 N 0.18 0.11 0.00 1.11 5.08 -1.26 0.21 114.58 120.02 1axj h GLU 99 Ca 0.04 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1axj h GLU 99 Cb 0.11 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1axj h GLU 99 CO 0.00 0.51 -0.01 0.00 -1.00 0.00 0.00 179.01 178.52 1axj h ALA 100 N 0.60 1.70 0.00 3.43 0.00 -0.55 -1.03 119.26 123.41 1axj h ALA 100 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1axj h ALA 100 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1axj h ALA 100 CO 0.01 0.01 -1.22 0.44 0.00 0.00 0.00 179.25 178.49 1axj n ILE 101 N -4.12 0.36 -0.09 0.00 -6.64 -0.61 -4.46 119.36 103.81 1axj n ILE 101 Ca -0.03 -0.45 0.26 0.00 -1.77 0.00 0.00 62.75 60.75 1axj n ILE 101 Cb 0.09 -0.12 0.72 0.00 -1.44 0.00 0.00 39.64 38.89 1axj n ILE 101 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1axj h ALA 102 N 2.15 2.60 -0.50 -1.28 0.00 0.83 -0.35 119.26 122.72 1axj h ALA 102 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1axj h ALA 102 Cb 0.92 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1axj h ALA 102 CO 0.00 -0.96 0.54 0.07 0.00 0.00 0.00 179.25 178.90 1axj h ARG 103 N 0.00 0.00 -7.78 0.00 0.11 -1.78 -3.42 114.38 101.51 1axj h ARG 103 Ca 0.35 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.98 1axj h ARG 103 Cb 1.52 0.00 0.16 0.00 1.11 0.00 0.00 29.97 32.76 1axj h ARG 103 CO -0.00 0.00 0.40 -0.06 0.10 0.00 0.00 179.97 180.40 1axj s PHE 104 N -4.61 1.49 -0.01 4.08 0.08 -0.14 -5.04 117.98 113.83 1axj s PHE 104 Ca -0.04 0.23 0.03 0.00 0.12 0.00 0.00 56.93 57.27 1axj s PHE 104 Cb 0.16 -4.06 0.05 0.00 -0.57 0.00 0.00 43.02 38.59 1axj s PHE 104 CO 0.55 -2.63 1.02 1.17 -0.10 0.00 0.00 175.22 175.23 1axj n LYS 105 N -3.72 0.06 0.00 0.44 4.81 -1.26 -4.80 118.16 113.70 1axj n LYS 105 Ca 0.16 -1.15 0.00 0.00 -0.87 0.00 0.00 58.31 56.44 1axj n LYS 105 Cb 0.59 -0.51 0.00 0.00 0.02 0.00 0.00 35.03 35.13 1axj n LYS 105 CO 0.00 0.00 0.00 -2.67 1.17 0.00 0.00 177.40 175.90 1axj n TRP 106 N -0.03 0.00 -3.39 5.64 4.27 -1.26 -5.10 117.44 117.57 1axj n TRP 106 Ca 0.01 -0.17 -0.32 0.00 -3.89 0.00 0.00 57.50 53.14 1axj n TRP 106 Cb 0.73 -0.02 -0.05 0.00 -1.36 0.00 0.00 31.31 30.61 1axj n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1axj s ALA 107 N -0.34 3.57 0.00 -1.67 0.00 -1.26 -4.23 121.76 117.82 1axj s ALA 107 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1axj s ALA 107 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1axj s ALA 107 CO 0.00 0.47 0.00 -2.13 0.00 0.00 0.00 175.76 174.10 1axj n ARG 108 N -0.25 0.77 -3.56 0.00 3.00 0.65 -4.89 116.66 112.37 1axj n ARG 108 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.79 1axj n ARG 108 Cb 0.53 -0.97 -0.02 0.00 0.00 0.00 0.00 32.46 32.00 1axj n ARG 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1axj s ALA 109 N -1.88 -1.87 -0.45 5.13 0.00 -0.37 -4.94 121.76 117.37 1axj s ALA 109 Ca 0.00 1.00 -0.08 0.00 0.00 0.00 0.00 51.96 52.88 1axj s ALA 109 Cb 0.00 0.33 0.11 0.00 0.00 0.00 0.00 23.12 23.57 1axj s ALA 109 CO 0.00 -0.74 0.31 0.00 0.00 0.00 0.00 175.76 175.33 1axj s ALA 110 N -2.96 3.34 -0.76 0.00 0.00 0.33 -1.10 121.76 120.61 1axj s ALA 110 Ca 0.07 -2.48 -0.27 0.00 0.00 0.00 0.00 51.96 49.28 1axj s ALA 110 Cb -0.01 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.41 1axj s ALA 110 CO -0.06 -1.85 1.35 -1.17 0.00 0.00 0.00 175.76 174.02 1axj s LEU 111 N 1.33 3.20 0.05 0.00 0.20 0.45 -0.53 118.68 123.38 1axj s LEU 111 Ca 0.06 -0.49 -0.30 0.00 0.69 0.00 0.00 54.13 54.09 1axj s LEU 111 Cb -0.25 -2.56 -0.04 0.00 -0.43 0.00 0.00 46.19 42.91 1axj s LEU 111 CO -0.01 -1.86 1.01 -0.69 -0.29 0.00 0.00 176.35 174.51 1axj s VAL 112 N 5.96 4.61 -0.12 1.68 1.01 0.15 -0.66 120.40 133.04 1axj s VAL 112 Ca 0.39 1.97 0.03 0.00 0.00 0.00 0.00 61.98 64.37 1axj s VAL 112 Cb -0.08 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 1axj s VAL 112 CO 0.13 0.21 -0.21 -0.63 0.00 0.00 0.00 175.10 174.60 1axj s ILE 113 N 0.63 2.31 -0.71 2.22 1.01 0.33 -0.48 121.20 126.50 1axj s ILE 113 Ca 0.51 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 60.10 1axj s ILE 113 Cb -0.23 -1.92 0.18 0.00 0.01 0.00 0.00 42.46 40.50 1axj s ILE 113 CO 0.29 0.55 0.65 -0.89 0.00 0.00 0.00 174.94 175.53 1axj s THR 114 N 0.49 5.33 0.77 2.92 2.01 0.75 -0.27 115.64 127.63 1axj s THR 114 Ca -0.14 -2.15 -0.14 0.00 0.31 0.00 0.00 61.69 59.57 1axj s THR 114 Cb -0.17 -4.35 0.06 0.00 0.01 0.00 0.00 72.50 68.05 1axj s THR 114 CO 0.05 -0.96 1.22 -0.69 -0.69 0.00 0.00 174.62 173.55 1axj s VAL 115 N 0.67 2.13 -0.02 3.82 1.01 -1.26 -1.41 120.40 125.34 1axj s VAL 115 Ca 0.12 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 1axj s VAL 115 Cb -0.18 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 1axj s VAL 115 CO -0.04 -0.04 -0.02 0.52 0.00 0.00 0.00 175.10 175.52 1axj n VAL 116 N -2.97 0.10 -3.73 2.92 0.31 -0.29 -4.80 118.33 109.87 1axj n VAL 116 Ca 0.14 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.31 1axj n VAL 116 Cb 0.50 -1.48 -0.10 0.00 -0.91 0.00 0.00 33.84 31.85 1axj n VAL 116 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1axj s SER 117 N -5.12 -0.41 0.13 4.52 0.01 -1.10 -4.53 113.70 107.22 1axj s SER 117 Ca -0.03 0.75 0.10 0.00 1.31 0.00 0.00 55.95 58.09 1axj s SER 117 Cb 0.01 0.78 -0.04 0.00 0.21 0.00 0.00 66.02 66.98 1axj s SER 117 CO 0.03 -0.17 -0.22 0.00 0.41 0.00 0.00 173.24 173.28 1axj s ALA 118 N 0.06 2.54 0.02 1.44 0.00 -1.23 -1.52 121.76 123.07 1axj s ALA 118 Ca -0.01 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.51 1axj s ALA 118 Cb -0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1axj s ALA 118 CO 0.01 0.55 -0.04 -1.83 0.00 0.00 0.00 175.76 174.45 1axj s GLU 119 N -2.18 0.35 0.03 0.00 -1.05 -0.34 -4.60 118.70 110.91 1axj s GLU 119 Ca 0.17 -0.59 -0.24 0.00 -0.15 0.00 0.00 54.97 54.16 1axj s GLU 119 Cb -0.10 -0.02 -0.05 0.00 -0.44 0.00 0.00 34.13 33.51 1axj s GLU 119 CO 0.08 -0.01 0.72 -1.14 0.95 0.00 0.00 175.26 175.86 1axj s GLN 120 N -1.34 4.45 0.00 -4.83 0.74 -1.26 -1.23 119.66 116.20 1axj s GLN 120 Ca -0.13 0.98 0.00 0.00 0.05 0.00 0.00 55.36 56.26 1axj s GLN 120 Cb -0.09 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.66 1axj s GLN 120 CO -0.01 0.31 0.00 0.25 -0.55 0.00 0.00 175.29 175.29 1axj n THR 121 N 2.77 0.00 1.91 -0.34 -2.24 -0.06 -4.89 114.28 111.43 1axj n THR 121 Ca -0.04 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.90 1axj n THR 121 Cb 0.50 -0.27 0.91 0.00 -2.10 0.00 0.00 70.33 69.37 1axj n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50