#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axj n LEU 2 N 0.00 3.70 -4.79 4.03 4.32 -1.26 -4.93 117.00 118.06 1axj n LEU 2 Ca 0.00 0.66 -0.33 0.00 -0.02 0.00 0.00 56.01 56.32 1axj n LEU 2 Cb 0.00 -1.43 0.03 0.00 -1.62 0.00 0.00 43.42 40.41 1axj n LEU 2 CO 0.00 -1.97 0.73 -2.16 -1.22 0.00 0.00 177.39 172.77 1axj s PRO 3 N -3.46 3.01 0.22 3.23 0.04 -1.26 -4.96 135.00 131.82 1axj s PRO 3 Ca 0.73 1.26 -0.09 0.00 0.04 0.00 0.00 61.00 62.95 1axj s PRO 3 Cb -0.34 -1.99 0.18 0.00 0.04 0.00 0.00 34.50 32.40 1axj s PRO 3 CO 0.50 -1.06 1.89 0.78 0.04 0.00 0.00 177.00 179.15 1axj h GLY 4 N 0.10 1.13 -0.05 0.56 0.00 -2.02 -2.49 103.07 100.30 1axj h GLY 4 Ca -0.46 -0.42 0.24 0.00 0.00 0.00 0.00 47.33 46.68 1axj h GLY 4 CO 0.56 0.40 0.62 -0.84 0.00 0.00 0.00 176.54 177.28 1axj h THR 5 N 1.08 0.58 -0.09 4.70 2.02 -1.98 -0.22 112.91 118.99 1axj h THR 5 Ca 0.30 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.32 1axj h THR 5 Cb -0.11 -0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 66.20 1axj h THR 5 CO -0.07 0.10 -0.38 0.15 0.37 0.00 0.00 175.52 175.70 1axj h PHE 6 N 0.57 -1.06 -0.19 3.16 3.57 -1.82 -0.98 116.94 120.19 1axj h PHE 6 Ca 0.61 0.04 0.02 0.00 3.53 0.00 0.00 57.97 62.17 1axj h PHE 6 Cb 1.22 0.48 -0.02 0.00 2.79 0.00 0.00 35.95 40.41 1axj h PHE 6 CO -0.00 -0.45 0.07 0.74 -2.23 0.00 0.00 178.31 176.43 1axj h PHE 7 N -0.48 0.12 -0.99 0.41 -1.00 -1.18 -1.37 116.94 112.46 1axj h PHE 7 Ca 0.08 0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.96 1axj h PHE 7 Cb 0.60 -0.03 -0.08 0.00 3.61 0.00 0.00 35.95 40.05 1axj h PHE 7 CO -0.43 0.06 0.63 0.93 -1.61 0.00 0.00 178.31 177.89 1axj h GLU 8 N 0.16 1.01 -0.17 1.51 4.39 -1.02 0.46 114.58 120.92 1axj h GLU 8 Ca 0.08 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 1axj h GLU 8 Cb 0.04 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1axj h GLU 8 CO -0.08 0.67 -0.15 0.28 -1.16 0.00 0.00 179.01 178.57 1axj h VAL 9 N 1.04 1.33 -0.80 3.13 2.07 -0.79 -3.17 116.25 119.07 1axj h VAL 9 Ca 0.47 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.76 1axj h VAL 9 Cb 0.37 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1axj h VAL 9 CO -0.23 0.38 0.52 -0.07 0.02 0.00 0.00 177.57 178.19 1axj h LEU 10 N 0.05 0.77 -1.99 2.57 -0.00 -0.52 -1.35 115.31 114.84 1axj h LEU 10 Ca 0.03 0.00 0.23 0.00 -0.00 0.00 0.00 57.88 58.14 1axj h LEU 10 Cb 0.67 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 41.14 1axj h LEU 10 CO 0.04 0.50 0.58 0.11 -0.00 0.00 0.00 178.44 179.67 1axj h LYS 11 N 0.88 0.00 -6.31 1.13 1.57 -0.90 -3.43 116.57 109.51 1axj h LYS 11 Ca 0.34 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.67 1axj h LYS 11 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1axj h LYS 11 CO -0.12 0.00 -0.35 -0.80 -0.57 0.00 0.00 179.45 177.61 1axj s ASN 12 N -5.68 5.83 0.27 0.86 0.01 -0.51 -5.08 114.94 110.64 1axj s ASN 12 Ca -0.05 -0.26 -0.29 0.00 -0.71 0.00 0.00 52.86 51.55 1axj s ASN 12 Cb 0.20 -1.15 -0.09 0.00 0.41 0.00 0.00 41.25 40.62 1axj s ASN 12 CO 0.74 -0.44 1.14 -0.70 -1.51 0.00 0.00 177.10 176.33 1axj s GLU 13 N -4.15 4.58 0.08 -0.60 -6.30 -1.26 -4.66 118.70 106.39 1axj s GLU 13 Ca 0.45 1.86 -0.27 0.00 -2.50 0.00 0.00 54.97 54.51 1axj s GLU 13 Cb -0.09 -3.19 0.08 0.00 0.00 0.00 0.00 34.13 30.94 1axj s GLU 13 CO 0.30 0.11 1.00 0.20 0.02 0.00 0.00 175.26 176.90 1axj s GLY 14 N -0.64 -0.31 0.19 -1.50 0.00 -1.26 -4.71 107.32 99.09 1axj s GLY 14 Ca 0.46 0.44 -0.18 0.00 0.00 0.00 0.00 44.72 45.44 1axj s GLY 14 CO 0.42 0.11 0.67 0.14 0.00 0.00 0.00 173.10 174.43 1axj s VAL 15 N -3.10 4.65 0.08 1.40 1.01 0.13 -0.77 120.40 123.80 1axj s VAL 15 Ca 0.11 1.17 0.01 0.00 0.00 0.00 0.00 61.98 63.27 1axj s VAL 15 Cb -0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1axj s VAL 15 CO -0.01 0.25 -0.06 -0.69 0.00 0.00 0.00 175.10 174.59 1axj s VAL 16 N -1.46 0.56 0.04 2.92 1.01 0.54 -0.62 120.40 123.40 1axj s VAL 16 Ca 0.40 -1.76 -0.08 0.00 0.00 0.00 0.00 61.98 60.54 1axj s VAL 16 Cb -0.17 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.75 1axj s VAL 16 CO 0.21 -0.82 0.15 0.00 0.00 0.00 0.00 175.10 174.64 1axj s ALA 17 N -3.31 -0.21 -0.14 5.51 0.00 0.71 -1.24 121.76 123.08 1axj s ALA 17 Ca 0.07 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 1axj s ALA 17 Cb 0.03 0.29 0.06 0.00 0.00 0.00 0.00 23.12 23.50 1axj s ALA 17 CO -0.05 -0.36 0.11 0.42 0.00 0.00 0.00 175.76 175.88 1axj s ILE 18 N -2.74 -0.14 -0.47 0.00 1.01 -0.02 -0.60 121.20 118.23 1axj s ILE 18 Ca -0.04 0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.40 1axj s ILE 18 Cb -0.00 -0.47 0.03 0.00 0.01 0.00 0.00 42.46 42.02 1axj s ILE 18 CO -0.05 -0.14 0.78 0.00 0.00 0.00 0.00 174.94 175.53 1axj s ALA 19 N 2.18 3.28 -0.32 9.38 0.00 0.49 -0.90 121.76 135.88 1axj s ALA 19 Ca 0.03 -1.13 -0.16 0.00 0.00 0.00 0.00 51.96 50.70 1axj s ALA 19 Cb -0.15 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 1axj s ALA 19 CO -0.08 -1.99 0.42 0.99 0.00 0.00 0.00 175.76 175.10 1axj s THR 20 N 3.29 5.12 0.31 0.00 2.01 -0.40 -1.23 115.64 124.74 1axj s THR 20 Ca 0.28 0.35 -0.28 0.00 0.31 0.00 0.00 61.69 62.35 1axj s THR 20 Cb -0.13 -3.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.46 1axj s THR 20 CO 0.21 -0.04 1.12 -1.58 -0.69 0.00 0.00 174.62 173.64 1axj s GLN 21 N 2.16 4.49 0.00 4.92 2.00 -0.24 -0.70 119.66 132.30 1axj s GLN 21 Ca 0.15 1.81 0.00 0.00 -2.00 0.00 0.00 55.36 55.33 1axj s GLN 21 Cb -0.16 -3.04 0.00 0.00 0.80 0.00 0.00 33.01 30.61 1axj s GLN 21 CO 0.11 0.08 0.00 0.41 -0.50 0.00 0.00 175.29 175.39 1axj n GLY 22 N 0.99 0.12 2.23 2.59 0.00 -1.26 -4.14 105.19 105.72 1axj n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.87 0.00 -0.41 1.61 2.13 -1.26 -4.49 120.64 117.35 1axj n GLU 23 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1axj n GLU 23 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 -3.47 4.72 0.00 4.31 5.75 -1.26 -4.85 116.55 121.76 1axj n ASP 24 Ca 0.00 -2.26 0.00 0.00 -0.01 0.00 0.00 54.79 52.52 1axj n ASP 24 Cb 0.00 -0.98 0.00 0.00 -1.03 0.00 0.00 41.12 39.11 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 1.42 -1.28 3.79 6.12 0.00 -1.26 -4.99 105.19 108.98 1axj n GLY 25 Ca 0.00 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.87 3.40 -0.42 1.61 0.04 -1.26 -4.25 135.00 130.25 1axj s PRO 26 Ca 0.00 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.37 1axj s PRO 26 Cb 0.00 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.61 1axj s PRO 26 CO 0.00 -0.77 0.24 -1.58 0.04 0.00 0.00 177.00 174.92 1axj s HIS 27 N -2.11 3.48 -0.97 0.56 2.46 0.12 -4.81 115.29 114.02 1axj s HIS 27 Ca 0.68 -2.08 -0.18 0.00 0.47 0.00 0.00 55.06 53.94 1axj s HIS 27 Cb -0.19 -3.17 0.13 0.00 -0.13 0.00 0.00 32.58 29.22 1axj s HIS 27 CO 0.30 -0.94 1.18 -1.17 -2.47 0.00 0.00 174.74 171.63 1axj s LEU 28 N 1.26 4.96 0.79 8.88 0.20 -1.26 -1.28 118.68 132.23 1axj s LEU 28 Ca 0.06 -2.11 -0.08 0.00 0.69 0.00 0.00 54.13 52.69 1axj s LEU 28 Cb -0.23 -2.41 0.13 0.00 -0.43 0.00 0.00 46.19 43.24 1axj s LEU 28 CO -0.02 -1.06 1.11 0.68 -0.29 0.00 0.00 176.35 176.77 1axj s VAL 29 N 2.72 2.15 0.37 1.68 -7.23 -0.08 -4.79 120.40 115.21 1axj s VAL 29 Ca 0.35 -0.29 0.09 0.00 -1.81 0.00 0.00 61.98 60.32 1axj s VAL 29 Cb -0.04 -2.86 -0.07 0.00 0.56 0.00 0.00 36.38 33.97 1axj s VAL 29 CO -0.08 0.00 -0.04 0.20 -0.31 0.00 0.00 175.10 174.87 1axj s ASN 30 N -4.70 3.87 0.13 4.85 0.02 -1.26 -0.84 114.94 117.00 1axj s ASN 30 Ca 0.66 -1.22 -0.25 0.00 -1.02 0.00 0.00 52.86 51.03 1axj s ASN 30 Cb -0.07 -0.39 0.08 0.00 0.02 0.00 0.00 41.25 40.88 1axj s ASN 30 CO 0.47 -0.30 1.03 0.28 0.02 0.00 0.00 177.10 178.60 1axj s THR 31 N -2.63 0.00 0.01 1.60 -1.32 -0.37 -4.90 115.64 108.03 1axj s THR 31 Ca 0.34 -0.58 0.08 0.00 -1.21 0.00 0.00 61.69 60.32 1axj s THR 31 Cb 0.05 -2.19 -0.02 0.00 -1.51 0.00 0.00 72.50 68.82 1axj s THR 31 CO 0.18 0.00 -0.24 0.26 -2.21 0.00 0.00 174.62 172.60 1axj s TRP 32 N -2.91 2.17 0.51 9.09 0.52 -1.26 -0.33 118.94 126.73 1axj s TRP 32 Ca 0.15 -0.41 0.29 0.00 0.02 0.00 0.00 56.10 56.15 1axj s TRP 32 Cb -0.01 -1.36 1.40 0.00 -1.15 0.00 0.00 33.47 32.35 1axj s TRP 32 CO 0.02 0.02 1.87 -0.91 0.02 0.00 0.00 176.95 177.97 1axj h ASN 33 N 5.26 0.10 0.00 2.95 2.35 -1.24 -0.78 115.58 124.21 1axj h ASN 33 Ca -0.43 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1axj h ASN 33 Cb 1.13 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1axj h ASN 33 CO 0.46 0.03 0.01 -0.24 -1.65 0.00 0.00 177.43 176.04 1axj n SER 34 N -4.32 0.00 -0.00 5.81 2.88 -1.26 -1.38 113.62 115.35 1axj n SER 34 Ca 0.20 0.42 0.01 0.00 -1.33 0.00 0.00 58.87 58.17 1axj n SER 34 Cb 0.95 -0.42 -0.01 0.00 -0.75 0.00 0.00 64.21 63.98 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 -1.42 0.00 -2.59 0.66 4.01 -0.30 -5.08 117.16 112.45 1axj n TYR 35 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 1axj n TYR 35 Cb 0.01 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.07 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 -2.41 3.24 -0.02 7.72 1.43 -0.48 -4.38 118.68 123.79 1axj s LEU 36 Ca 0.00 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1axj s LEU 36 Cb 0.01 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.22 1axj s LEU 36 CO 0.06 -1.16 -0.03 -1.59 0.23 0.00 0.00 176.35 173.87 1axj s LYS 37 N -4.84 0.40 -0.16 1.70 0.00 -0.65 -4.99 119.74 111.19 1axj s LYS 37 Ca 0.56 -0.07 -0.08 0.00 0.00 0.00 0.00 55.97 56.39 1axj s LYS 37 Cb -0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 37.83 37.22 1axj s LYS 37 CO 0.40 -0.01 0.11 0.08 0.00 0.00 0.00 175.35 175.92 1axj s VAL 38 N 0.44 5.20 0.51 1.79 1.01 -1.26 -0.94 120.40 127.15 1axj s VAL 38 Ca -0.05 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1axj s VAL 38 Cb -0.08 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1axj s VAL 38 CO -0.01 0.52 0.02 -0.76 0.00 0.00 0.00 175.10 174.87 1axj s LEU 39 N -0.19 2.21 0.00 3.92 1.02 0.53 -5.01 118.68 121.16 1axj s LEU 39 Ca 0.10 -1.68 -0.17 0.00 0.02 0.00 0.00 54.13 52.39 1axj s LEU 39 Cb -0.12 -0.64 0.24 0.00 0.02 0.00 0.00 46.19 45.70 1axj s LEU 39 CO 0.01 -0.90 1.16 -0.67 0.02 0.00 0.00 176.35 175.97 1axj n ASP 40 N -1.30 -0.78 -2.31 2.29 2.03 -1.26 -3.69 116.55 111.53 1axj n ASP 40 Ca -0.19 -1.32 -0.20 0.00 0.52 0.00 0.00 54.79 53.61 1axj n ASP 40 Cb 0.67 -0.95 -0.02 0.00 -0.72 0.00 0.00 41.12 40.10 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 -3.65 -0.23 2.50 0.27 0.00 -1.26 -1.72 105.19 101.11 1axj n GLY 41 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.90 -4.04 -4.70 1.61 0.23 -1.26 -4.86 115.26 100.34 1axj n ASN 42 Ca -0.23 0.12 -0.42 0.00 -0.53 0.00 0.00 54.58 53.52 1axj n ASN 42 Cb 0.67 -2.88 -0.03 0.00 -2.08 0.00 0.00 39.78 35.46 1axj n ASN 42 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1axj s ARG 43 N -1.98 4.39 0.26 -3.83 3.52 -0.70 -3.74 118.95 116.87 1axj s ARG 43 Ca 0.00 1.77 0.12 0.00 -0.13 0.00 0.00 55.73 57.49 1axj s ARG 43 Cb 0.00 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 29.91 1axj s ARG 43 CO 0.00 -0.35 -0.18 0.42 -0.81 0.00 0.00 175.30 174.37 1axj s ILE 44 N 1.55 2.58 -0.03 4.11 -1.09 -0.06 -0.35 121.20 127.92 1axj s ILE 44 Ca 0.59 -2.27 -0.05 0.00 -2.23 0.00 0.00 60.65 56.69 1axj s ILE 44 Cb -0.28 -2.34 0.01 0.00 -1.58 0.00 0.00 42.46 38.27 1axj s ILE 44 CO 0.27 -0.34 0.12 -0.69 -1.23 0.00 0.00 174.94 173.07 1axj s VAL 45 N -2.32 0.02 -0.11 2.92 1.01 -0.11 -0.38 120.40 121.44 1axj s VAL 45 Ca 0.28 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1axj s VAL 45 Cb -0.06 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.10 1axj s VAL 45 CO 0.15 -0.11 -0.17 -0.69 0.00 0.00 0.00 175.10 174.28 1axj s VAL 46 N -0.34 1.59 -0.43 2.92 1.01 -0.28 -1.64 120.40 123.24 1axj s VAL 46 Ca -0.04 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 1axj s VAL 46 Cb -0.03 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1axj s VAL 46 CO 0.00 0.46 1.55 -2.84 0.00 0.00 0.00 175.10 174.27 1axj s PRO 47 N 0.88 3.39 -0.43 2.72 0.02 -1.26 -0.98 135.00 139.35 1axj s PRO 47 Ca -0.08 0.96 -0.25 0.00 0.02 0.00 0.00 61.00 61.65 1axj s PRO 47 Cb -0.15 -4.12 0.02 0.00 0.02 0.00 0.00 34.50 30.27 1axj s PRO 47 CO -0.00 -1.80 0.88 0.54 -0.33 0.00 0.00 177.00 176.29 1axj s VAL 48 N 6.22 4.57 -0.02 3.83 0.11 -0.64 -4.85 120.40 129.61 1axj s VAL 48 Ca 0.65 0.80 0.07 0.00 -2.93 0.00 0.00 61.98 60.57 1axj s VAL 48 Cb -0.15 -4.36 -0.10 0.00 -1.53 0.00 0.00 36.38 30.23 1axj s VAL 48 CO 0.31 -0.69 0.13 0.61 -3.33 0.00 0.00 175.10 172.13 1axj n GLY 49 N 4.77 -0.31 2.68 6.54 0.00 -1.26 -0.08 105.19 117.52 1axj n GLY 49 Ca 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 2.18 1.96 2.79 -0.02 0.00 -1.26 -4.60 105.19 106.24 1axj n GLY 50 Ca -0.03 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.42 3.40 0.19 1.61 2.00 -1.26 -4.96 117.12 116.69 1axj n MET 51 Ca -0.16 -4.59 -0.08 0.00 0.00 0.00 0.00 57.70 52.87 1axj n MET 51 Cb 0.87 -2.39 -0.04 0.00 0.00 0.00 0.00 33.22 31.66 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 5.02 -0.48 -0.94 2.03 3.86 -1.98 -0.32 115.15 122.33 1axj h HIS 52 Ca 0.19 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.56 1axj h HIS 52 Cb 0.67 0.16 -0.10 0.00 1.06 0.00 0.00 27.41 29.19 1axj h HIS 52 CO 0.85 -0.30 0.54 -0.22 0.86 0.00 0.00 177.93 179.66 1axj h LYS 53 N -0.73 0.69 -0.92 2.45 3.64 -1.99 -0.83 116.57 118.88 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 0.40 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 1axj h LYS 53 CO 0.09 0.46 0.60 1.15 -2.27 0.00 0.00 179.45 179.48 1axj h THR 54 N 0.72 1.24 -0.15 1.00 2.02 -1.94 0.40 112.91 116.20 1axj h THR 54 Ca 0.53 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 67.27 1axj h THR 54 Cb 0.79 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1axj h THR 54 CO -0.37 0.23 0.06 -0.08 0.37 0.00 0.00 175.52 175.73 1axj h GLU 55 N 1.26 0.13 -0.74 6.66 4.81 0.34 0.56 114.58 127.61 1axj h GLU 55 Ca 0.34 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1axj h GLU 55 Cb -0.13 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1axj h GLU 55 CO -0.07 0.09 0.22 0.00 -0.73 0.00 0.00 179.01 178.51 1axj h ALA 56 N 1.09 0.99 -0.51 2.92 0.00 -0.91 -1.84 119.26 121.01 1axj h ALA 56 Ca 0.06 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1axj h ALA 56 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1axj h ALA 56 CO -0.06 0.67 0.02 -0.91 0.00 0.00 0.00 179.25 178.96 1axj h ASN 57 N 1.10 0.87 -0.14 0.00 2.35 0.36 0.69 115.58 120.82 1axj h ASN 57 Ca 0.24 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1axj h ASN 57 Cb 0.32 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1axj h ASN 57 CO -0.01 0.95 0.02 0.58 -1.65 0.00 0.00 177.43 177.33 1axj h VAL 58 N 0.76 1.22 -0.55 2.81 2.07 -0.88 0.16 116.25 121.84 1axj h VAL 58 Ca 0.15 -0.72 0.16 0.00 0.82 0.00 0.00 66.70 67.11 1axj h VAL 58 Cb 0.50 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1axj h VAL 58 CO 0.02 0.21 0.45 0.00 0.02 0.00 0.00 177.57 178.28 1axj h ALA 59 N 0.80 2.41 0.10 1.67 0.00 -0.90 -2.75 119.26 120.59 1axj h ALA 59 Ca 0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1axj h ALA 59 Cb 0.31 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.15 1axj h ALA 59 CO 0.00 -0.73 -0.60 0.00 0.00 0.00 0.00 179.25 177.92 1axj h ARG 60 N 0.00 0.22 -2.79 0.00 2.47 0.15 -3.49 114.38 110.95 1axj h ARG 60 Ca 0.26 -0.38 -0.13 0.00 -1.26 0.00 0.00 59.98 58.47 1axj h ARG 60 Cb 1.16 0.14 -0.25 0.00 -1.65 0.00 0.00 29.97 29.38 1axj h ARG 60 CO -0.00 1.18 -0.27 0.34 0.56 0.00 0.00 179.97 181.78 1axj s ASP 61 N -6.77 -0.41 0.43 7.04 -1.08 0.46 -4.98 116.67 111.34 1axj s ASP 61 Ca -0.15 0.79 0.28 0.00 -0.52 0.00 0.00 52.55 52.95 1axj s ASP 61 Cb -0.00 0.79 0.91 0.00 -1.46 0.00 0.00 42.92 43.15 1axj s ASP 61 CO 0.79 -0.14 1.80 1.05 0.52 0.00 0.00 175.17 179.19 1axj h GLU 62 N 5.70 0.00 -6.29 4.34 -0.00 -1.83 -3.35 114.58 113.15 1axj h GLU 62 Ca -0.28 0.00 -0.54 0.00 -0.00 0.00 0.00 59.36 58.54 1axj h GLU 62 Cb 1.18 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.95 1axj h GLU 62 CO 0.27 0.00 1.27 1.03 -0.00 0.00 0.00 179.01 181.58 1axj s ARG 63 N -3.39 3.96 0.03 1.06 1.81 -1.26 -0.62 118.95 120.54 1axj s ARG 63 Ca 0.05 2.47 0.00 0.00 -1.72 0.00 0.00 55.73 56.53 1axj s ARG 63 Cb 0.08 -4.19 -0.03 0.00 -0.45 0.00 0.00 34.95 30.37 1axj s ARG 63 CO 0.57 -1.16 -0.04 0.14 -0.68 0.00 0.00 175.30 174.13 1axj s VAL 64 N 5.13 0.21 0.08 3.52 -7.23 -0.71 -1.07 120.40 120.34 1axj s VAL 64 Ca 0.89 -1.18 0.06 0.00 -1.81 0.00 0.00 61.98 59.94 1axj s VAL 64 Cb -0.40 -0.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 1axj s VAL 64 CO 0.40 -0.62 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.28 1axj s LEU 65 N -1.88 3.14 -0.04 1.32 0.20 -0.36 -1.05 118.68 120.02 1axj s LEU 65 Ca -0.09 -0.30 -0.02 0.00 0.69 0.00 0.00 54.13 54.42 1axj s LEU 65 Cb -0.05 -1.90 0.03 0.00 -0.43 0.00 0.00 46.19 43.84 1axj s LEU 65 CO -0.03 0.20 0.06 -0.32 -0.29 0.00 0.00 176.35 175.97 1axj s MET 66 N -2.07 -0.05 -0.17 1.98 -2.45 0.22 -0.38 119.30 116.39 1axj s MET 66 Ca 0.21 0.34 -0.04 0.00 -1.25 0.00 0.00 55.69 54.95 1axj s MET 66 Cb -0.11 -0.40 -0.03 0.00 1.25 0.00 0.00 34.83 35.55 1axj s MET 66 CO 0.13 -0.27 -0.02 0.95 1.05 0.00 0.00 175.02 176.86 1axj s THR 67 N 1.81 3.93 0.38 10.11 -4.23 0.23 -0.31 115.64 127.55 1axj s THR 67 Ca 0.00 -0.34 0.08 0.00 -1.18 0.00 0.00 61.69 60.25 1axj s THR 67 Cb -0.12 -2.74 -0.06 0.00 1.34 0.00 0.00 72.50 70.91 1axj s THR 67 CO -0.03 0.47 0.04 -1.48 -0.54 0.00 0.00 174.62 173.08 1axj s LEU 68 N 0.57 2.96 0.00 4.79 0.05 -0.35 -0.21 118.68 126.49 1axj s LEU 68 Ca -0.02 -1.14 0.00 0.00 0.05 0.00 0.00 54.13 53.02 1axj s LEU 68 Cb -0.14 -1.21 0.00 0.00 -2.05 0.00 0.00 46.19 42.79 1axj s LEU 68 CO 0.02 -0.38 0.00 0.61 -0.55 0.00 0.00 176.35 176.06 1axj n GLY 69 N -1.02 -0.87 3.29 -3.48 0.00 0.21 -1.09 105.19 102.24 1axj n GLY 69 Ca -0.04 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 1axj n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1axj s SER 70 N 0.00 -0.21 0.00 1.61 0.15 -0.00 -0.69 113.70 114.55 1axj s SER 70 Ca 0.00 -0.10 0.22 0.00 0.70 0.00 0.00 55.95 56.77 1axj s SER 70 Cb 0.00 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 1axj s SER 70 CO 0.00 -0.66 1.04 0.54 1.20 0.00 0.00 173.24 175.36 1axj n ARG 71 N 0.48 0.36 0.00 5.44 1.74 -1.26 -1.75 116.66 121.67 1axj n ARG 71 Ca -0.18 -0.28 0.09 0.00 -0.77 0.00 0.00 57.85 56.70 1axj n ARG 71 Cb 0.60 -1.49 0.43 0.00 -1.02 0.00 0.00 32.46 30.98 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 -1.07 0.14 -4.48 5.56 5.02 -1.26 -4.48 118.16 117.59 1axj n LYS 72 Ca 0.06 0.15 -0.21 0.00 -2.02 0.00 0.00 58.31 56.28 1axj n LYS 72 Cb 0.37 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.77 0.91 0.02 -0.18 1.01 -1.26 -5.08 120.40 113.06 1axj s VAL 73 Ca 0.14 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 1axj s VAL 73 Cb 0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1axj s VAL 73 CO 0.31 0.28 1.02 0.00 0.00 0.00 0.00 175.10 176.70 1axj s ALA 74 N 0.16 3.20 0.00 5.51 0.00 -1.26 -1.27 121.76 128.10 1axj s ALA 74 Ca -0.03 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1axj s ALA 74 Cb -0.09 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1axj s ALA 74 CO 0.01 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1axj n GLY 75 N 2.90 4.50 0.08 0.00 0.00 -1.10 -4.47 105.19 107.09 1axj n GLY 75 Ca 0.06 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 1axj n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1axj n ARG 76 N 0.00 0.47 -2.36 1.61 1.74 0.12 -4.71 116.66 113.54 1axj n ARG 76 Ca 0.00 0.52 -0.41 0.00 -0.77 0.00 0.00 57.85 57.19 1axj n ARG 76 Cb 0.00 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 29.73 1axj n ARG 76 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1axj s ASN 77 N -5.93 5.95 0.41 0.55 2.20 -0.27 -4.82 114.94 113.03 1axj s ASN 77 Ca -0.18 0.10 0.00 0.00 -0.94 0.00 0.00 52.86 51.84 1axj s ASN 77 Cb 0.03 -2.55 0.00 0.00 -2.00 0.00 0.00 41.25 36.73 1axj s ASN 77 CO 0.29 -1.89 0.00 0.61 -2.94 0.00 0.00 177.10 173.17 1axj n GLY 78 N 5.39 -0.19 3.56 0.45 0.00 -1.26 -3.58 105.19 109.55 1axj n GLY 78 Ca 0.11 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 1axj n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1axj s PRO 79 N 0.00 2.62 0.00 1.61 0.04 -1.26 -3.86 135.00 134.15 1axj s PRO 79 Ca 0.00 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 60.77 1axj s PRO 79 Cb 0.00 -5.03 0.00 0.00 0.04 0.00 0.00 34.50 29.51 1axj s PRO 79 CO 0.00 -3.26 0.00 0.41 0.04 0.00 0.00 177.00 174.19 1axj n GLY 80 N 6.77 0.63 3.88 0.56 0.00 -1.14 -4.49 105.19 111.40 1axj n GLY 80 Ca 0.38 0.60 -0.20 0.00 0.00 0.00 0.00 46.02 46.80 1axj n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1axj s THR 81 N 0.00 2.89 -0.14 2.61 -1.32 -0.39 -2.71 115.64 116.58 1axj s THR 81 Ca 0.00 -1.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.17 1axj s THR 81 Cb 0.00 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 1axj s THR 81 CO 0.00 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 1axj n GLY 82 N -1.54 -0.98 3.07 6.08 0.00 -1.26 -0.82 105.19 109.74 1axj n GLY 82 Ca 0.03 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 1axj n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1axj s PHE 83 N -3.00 0.19 -0.18 1.61 0.40 -0.25 -3.44 117.98 113.31 1axj s PHE 83 Ca 0.00 -0.44 -0.09 0.00 -0.60 0.00 0.00 56.93 55.80 1axj s PHE 83 Cb 0.00 -0.15 -0.05 0.00 0.51 0.00 0.00 43.02 43.34 1axj s PHE 83 CO 0.00 -0.29 0.11 -1.17 0.70 0.00 0.00 175.22 174.56 1axj s LEU 84 N -1.78 4.10 0.06 -0.37 2.96 0.05 -1.21 118.68 122.49 1axj s LEU 84 Ca -0.10 0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 1axj s LEU 84 Cb -0.05 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1axj s LEU 84 CO -0.02 0.20 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.48 1axj s ILE 85 N 0.21 0.81 -0.03 6.68 1.01 0.57 -0.50 121.20 129.96 1axj s ILE 85 Ca 0.07 -1.24 0.06 0.00 0.00 0.00 0.00 60.65 59.54 1axj s ILE 85 Cb -0.11 -0.89 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 1axj s ILE 85 CO -0.01 -0.35 -0.20 -0.13 0.00 0.00 0.00 174.94 174.26 1axj s ARG 86 N -1.81 1.79 0.00 2.79 0.52 0.17 -0.61 118.95 121.81 1axj s ARG 86 Ca -0.05 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 1axj s ARG 86 Cb -0.09 -1.65 0.00 0.00 0.52 0.00 0.00 34.95 33.73 1axj s ARG 86 CO 0.01 0.38 0.00 0.41 0.02 0.00 0.00 175.30 176.12 1axj n GLY 87 N 2.77 1.70 3.30 -3.53 0.00 -0.21 -1.28 105.19 107.94 1axj n GLY 87 Ca -0.16 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.15 2.93 0.28 1.61 0.01 -0.00 -1.73 113.70 116.64 1axj s SER 88 Ca 0.00 -0.50 0.09 0.00 1.31 0.00 0.00 55.95 56.84 1axj s SER 88 Cb 0.00 -0.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1axj s SER 88 CO 0.00 0.27 0.07 0.00 0.41 0.00 0.00 173.24 173.99 1axj s ALA 89 N -0.68 3.33 -0.29 1.44 0.00 0.21 -0.38 121.76 125.39 1axj s ALA 89 Ca 0.10 -1.63 -0.10 0.00 0.00 0.00 0.00 51.96 50.33 1axj s ALA 89 Cb -0.10 -0.89 0.12 0.00 0.00 0.00 0.00 23.12 22.26 1axj s ALA 89 CO 0.00 0.22 0.63 0.00 0.00 0.00 0.00 175.76 176.61 1axj s ALA 90 N -2.30 -1.94 0.03 0.00 0.00 0.42 -4.67 121.76 113.30 1axj s ALA 90 Ca 0.33 2.26 -0.30 0.00 0.00 0.00 0.00 51.96 54.24 1axj s ALA 90 Cb -0.06 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 1axj s ALA 90 CO 0.22 -0.89 1.22 -0.06 0.00 0.00 0.00 175.76 176.24 1axj s PHE 91 N 2.81 3.34 -0.00 0.00 0.40 -1.26 -1.23 117.98 122.04 1axj s PHE 91 Ca -0.06 1.25 0.08 0.00 -0.60 0.00 0.00 56.93 57.60 1axj s PHE 91 Cb -0.12 -3.44 -0.02 0.00 0.51 0.00 0.00 43.02 39.95 1axj s PHE 91 CO -0.18 -1.38 -0.25 1.03 0.70 0.00 0.00 175.22 175.13 1axj s ARG 92 N 1.39 1.97 -0.19 0.44 3.00 0.28 -4.96 118.95 120.88 1axj s ARG 92 Ca 0.59 -0.95 0.12 0.00 0.00 0.00 0.00 55.73 55.49 1axj s ARG 92 Cb -0.29 -1.97 0.41 0.00 0.00 0.00 0.00 34.95 33.11 1axj s ARG 92 CO 0.28 0.53 1.21 0.25 0.00 0.00 0.00 175.30 177.57 1axj n THR 93 N 2.29 2.06 -3.71 0.02 -2.24 -1.26 -0.68 114.28 110.76 1axj n THR 93 Ca -0.16 -3.07 -0.09 0.00 -2.27 0.00 0.00 64.05 58.46 1axj n THR 93 Cb 0.51 -0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.55 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 -3.15 -0.34 0.00 3.42 2.15 -1.26 -4.99 116.67 112.50 1axj s ASP 94 Ca 0.37 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.94 1axj s ASP 94 Cb 0.37 0.66 0.00 0.00 -0.30 0.00 0.00 42.92 43.64 1axj s ASP 94 CO -0.07 -1.17 0.00 0.61 -0.17 0.00 0.00 175.17 174.37 1axj n GLY 95 N -0.41 -0.53 0.31 2.66 0.00 -1.26 -3.06 105.19 102.90 1axj n GLY 95 Ca -0.09 -1.78 0.20 0.00 0.00 0.00 0.00 46.02 44.35 1axj n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1axj h PRO 96 N 0.00 0.00 0.45 1.61 0.13 -2.02 -1.95 132.00 130.22 1axj h PRO 96 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1axj h PRO 96 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1axj h PRO 96 CO 0.00 0.01 -0.21 0.93 -0.23 0.00 0.00 178.00 178.49 1axj h GLU 97 N 0.00 -0.58 -0.12 0.86 4.39 -1.99 0.14 114.58 117.27 1axj h GLU 97 Ca -0.00 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1axj h GLU 97 Cb 0.19 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1axj h GLU 97 CO 0.00 -0.29 0.01 0.35 -1.16 0.00 0.00 179.01 177.92 1axj h PHE 98 N -0.82 0.17 -0.08 4.33 3.57 -1.35 -1.70 116.94 121.07 1axj h PHE 98 Ca -0.06 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1axj h PHE 98 Cb 0.56 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1axj h PHE 98 CO -0.00 0.17 -0.04 0.93 -2.23 0.00 0.00 178.31 177.15 1axj h GLU 99 N 0.17 0.16 -0.88 1.11 4.39 -1.12 0.52 114.58 118.93 1axj h GLU 99 Ca 0.04 -0.07 0.17 0.00 0.34 0.00 0.00 59.36 59.84 1axj h GLU 99 Cb 0.10 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.68 1axj h GLU 99 CO 0.00 0.52 0.57 0.00 -1.16 0.00 0.00 179.01 178.95 1axj h ALA 100 N 0.63 2.01 0.00 3.43 0.00 -0.08 -1.73 119.26 123.52 1axj h ALA 100 Ca 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1axj h ALA 100 Cb 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1axj h ALA 100 CO 0.01 -0.28 -1.42 0.44 0.00 0.00 0.00 179.25 178.00 1axj n ILE 101 N -4.54 0.50 -0.14 0.00 -6.64 -0.70 -4.62 119.36 103.23 1axj n ILE 101 Ca 0.18 -0.56 -0.08 0.00 -1.77 0.00 0.00 62.75 60.52 1axj n ILE 101 Cb 0.58 -0.27 0.00 0.00 -1.44 0.00 0.00 39.64 38.51 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 1.91 0.54 0.00 -1.28 0.00 0.10 -1.20 119.26 119.32 1axj h ALA 102 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1axj h ALA 102 Cb 1.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1axj h ALA 102 CO 0.01 0.02 0.39 0.07 0.00 0.00 0.00 179.25 179.73 1axj h ARG 103 N 0.56 0.00 0.00 0.00 0.11 -1.81 -3.42 114.38 109.83 1axj h ARG 103 Ca 0.15 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 60.05 1axj h ARG 103 Cb -0.02 0.00 0.10 0.00 1.11 0.00 0.00 29.97 31.16 1axj h ARG 103 CO -0.03 0.00 -0.01 1.19 0.10 0.00 0.00 179.97 181.22 1axj n PHE 104 N -2.52 -3.19 -0.52 4.08 3.01 -0.46 -5.03 117.46 112.83 1axj n PHE 104 Ca -0.01 -0.44 0.00 0.00 1.01 0.00 0.00 57.45 58.01 1axj n PHE 104 Cb 0.42 -0.57 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 1axj n PHE 104 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1axj n LYS 105 N -3.44 1.56 0.00 -1.08 4.81 -1.26 -4.77 118.16 113.98 1axj n LYS 105 Ca 0.07 -1.09 0.00 0.00 -0.87 0.00 0.00 58.31 56.42 1axj n LYS 105 Cb 0.29 -0.79 0.00 0.00 0.02 0.00 0.00 35.03 34.55 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 -0.30 0.00 -2.67 5.64 4.27 -1.26 -5.12 117.44 118.01 1axj n TRP 106 Ca 0.01 -0.01 -0.33 0.00 -3.89 0.00 0.00 57.50 53.28 1axj n TRP 106 Cb 0.38 -0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.28 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 -0.01 3.02 0.00 -1.67 0.00 -1.26 -4.18 121.76 117.66 1axj s ALA 107 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1axj s ALA 107 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1axj s ALA 107 CO 0.00 -0.03 0.00 -2.13 0.00 0.00 0.00 175.76 173.60 1axj n ARG 108 N -0.95 0.69 -3.55 0.00 0.63 0.88 -4.88 116.66 109.48 1axj n ARG 108 Ca 0.07 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.93 1axj n ARG 108 Cb 0.54 -0.98 -0.02 0.00 0.45 0.00 0.00 32.46 32.45 1axj n ARG 108 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1axj s ALA 109 N -1.94 -1.86 -0.49 5.13 0.00 -0.66 -4.95 121.76 116.99 1axj s ALA 109 Ca 0.00 0.99 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 1axj s ALA 109 Cb 0.00 0.35 0.09 0.00 0.00 0.00 0.00 23.12 23.56 1axj s ALA 109 CO 0.00 -0.73 0.42 0.00 0.00 0.00 0.00 175.76 175.45 1axj s ALA 110 N -3.00 3.57 -0.88 0.00 0.00 0.15 -1.62 121.76 119.99 1axj s ALA 110 Ca 0.07 -2.24 -0.24 0.00 0.00 0.00 0.00 51.96 49.55 1axj s ALA 110 Cb -0.01 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 20.06 1axj s ALA 110 CO -0.07 -1.81 1.32 -1.17 0.00 0.00 0.00 175.76 174.03 1axj s LEU 111 N 1.62 3.57 0.05 0.00 0.20 -0.15 -0.55 118.68 123.41 1axj s LEU 111 Ca 0.04 -1.07 -0.30 0.00 0.69 0.00 0.00 54.13 53.48 1axj s LEU 111 Cb -0.26 -2.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.92 1axj s LEU 111 CO 0.05 -1.60 1.00 -0.69 -0.29 0.00 0.00 176.35 174.83 1axj s VAL 112 N 5.01 4.63 -0.04 1.68 1.01 -0.37 -1.12 120.40 131.21 1axj s VAL 112 Ca 0.39 1.98 0.07 0.00 0.00 0.00 0.00 61.98 64.41 1axj s VAL 112 Cb -0.05 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1axj s VAL 112 CO 0.01 0.21 -0.24 -0.63 0.00 0.00 0.00 175.10 174.45 1axj s ILE 113 N 0.67 2.23 -0.38 2.22 1.01 0.49 -0.44 121.20 127.00 1axj s ILE 113 Ca 0.51 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 1axj s ILE 113 Cb -0.23 -1.80 0.10 0.00 0.01 0.00 0.00 42.46 40.54 1axj s ILE 113 CO 0.29 0.58 0.15 -0.89 0.00 0.00 0.00 174.94 175.06 1axj s THR 114 N -0.48 3.06 0.75 2.92 2.01 0.49 -0.88 115.64 123.50 1axj s THR 114 Ca 0.06 -2.02 -0.15 0.00 0.31 0.00 0.00 61.69 59.89 1axj s THR 114 Cb -0.11 -3.08 0.05 0.00 0.01 0.00 0.00 72.50 69.37 1axj s THR 114 CO 0.01 -0.59 1.24 -0.69 -0.69 0.00 0.00 174.62 173.89 1axj s VAL 115 N 1.11 2.02 0.00 3.82 1.01 -1.25 -0.82 120.40 126.29 1axj s VAL 115 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1axj s VAL 115 Cb -0.22 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1axj s VAL 115 CO -0.04 -0.00 0.00 0.52 0.00 0.00 0.00 175.10 175.57 1axj n VAL 116 N -2.80 0.00 -3.69 2.92 0.31 -0.40 -4.86 118.33 109.81 1axj n VAL 116 Ca 0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.37 1axj n VAL 116 Cb 0.50 -0.34 -0.11 0.00 -0.91 0.00 0.00 33.84 32.97 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 -3.67 -0.42 -0.06 4.52 0.01 -0.78 -5.01 113.70 108.29 1axj s SER 117 Ca 0.00 0.87 0.03 0.00 1.31 0.00 0.00 55.95 58.15 1axj s SER 117 Cb 0.00 0.83 -0.03 0.00 0.21 0.00 0.00 66.02 67.03 1axj s SER 117 CO 0.00 -0.20 -0.13 0.00 0.41 0.00 0.00 173.24 173.32 1axj s ALA 118 N 1.62 2.72 -0.02 1.44 0.00 -1.26 -0.66 121.76 125.60 1axj s ALA 118 Ca -0.08 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 1axj s ALA 118 Cb -0.09 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 21.99 1axj s ALA 118 CO -0.12 0.52 0.07 -1.83 0.00 0.00 0.00 175.76 174.40 1axj s GLU 119 N -0.62 0.11 0.18 0.00 1.03 0.35 -4.83 118.70 114.92 1axj s GLU 119 Ca 0.09 0.04 -0.30 0.00 0.03 0.00 0.00 54.97 54.83 1axj s GLU 119 Cb -0.11 0.05 -0.08 0.00 -0.80 0.00 0.00 34.13 33.19 1axj s GLU 119 CO 0.01 -0.02 1.28 -1.14 -1.33 0.00 0.00 175.26 174.07 1axj s GLN 120 N -0.10 4.41 0.37 -4.83 2.00 -1.26 -0.77 119.66 119.47 1axj s GLN 120 Ca -0.02 2.00 0.00 0.00 -2.00 0.00 0.00 55.36 55.34 1axj s GLN 120 Cb -0.01 -3.22 0.00 0.00 0.80 0.00 0.00 33.01 30.58 1axj s GLN 120 CO 0.00 -0.23 0.00 0.25 -0.50 0.00 0.00 175.29 174.81 1axj n THR 121 N 2.82 0.00 1.11 -0.34 -2.24 -1.22 -4.86 114.28 109.55 1axj n THR 121 Ca 0.06 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.97 1axj n THR 121 Cb 0.43 -0.18 0.19 0.00 -2.10 0.00 0.00 70.33 68.68 1axj n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50