#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 2.34 0.66 4.03 1.02 -1.26 -4.18 118.68 121.29 1axj s LEU 2 Ca 0.00 -0.73 -0.14 0.00 0.02 0.00 0.00 54.13 53.28 1axj s LEU 2 Cb 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 46.19 45.55 1axj s LEU 2 CO 0.00 -0.06 1.09 -2.16 0.02 0.00 0.00 176.35 175.24 1axj s PRO 3 N -2.22 2.86 0.29 1.29 0.04 -1.26 -4.95 135.00 131.04 1axj s PRO 3 Ca 0.06 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.34 1axj s PRO 3 Cb -0.08 -1.97 0.44 0.00 0.04 0.00 0.00 34.50 32.94 1axj s PRO 3 CO 0.04 -1.19 1.93 0.78 0.04 0.00 0.00 177.00 178.60 1axj h GLY 4 N -0.14 1.29 0.17 0.56 0.00 -2.01 -1.67 103.07 101.28 1axj h GLY 4 Ca -0.46 -0.45 0.19 0.00 0.00 0.00 0.00 47.33 46.62 1axj h GLY 4 CO 0.55 0.39 0.61 -0.84 0.00 0.00 0.00 176.54 177.25 1axj h THR 5 N 1.13 0.70 -0.23 4.70 2.02 -1.98 -0.59 112.91 118.66 1axj h THR 5 Ca 0.36 -0.23 0.06 0.00 0.77 0.00 0.00 66.41 67.36 1axj h THR 5 Cb 0.01 -0.04 -0.07 0.00 -1.74 0.00 0.00 68.15 66.31 1axj h THR 5 CO -0.11 0.12 -0.29 0.15 0.37 0.00 0.00 175.52 175.77 1axj h PHE 6 N 0.68 -0.80 -0.11 3.16 3.04 -1.67 -0.49 116.94 120.75 1axj h PHE 6 Ca 0.55 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.54 1axj h PHE 6 Cb 0.97 0.39 -0.00 0.00 2.56 0.00 0.00 35.95 39.86 1axj h PHE 6 CO -0.00 -0.37 0.04 0.74 -2.02 0.00 0.00 178.31 176.70 1axj h PHE 7 N -0.31 0.17 -0.38 0.41 0.04 -1.24 -1.17 116.94 114.46 1axj h PHE 7 Ca 0.13 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1axj h PHE 7 Cb 0.51 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 1axj h PHE 7 CO -0.43 0.30 0.23 0.93 -0.60 0.00 0.00 178.31 178.74 1axj h GLU 8 N -0.00 0.50 -0.39 1.51 4.39 -1.12 0.14 114.58 119.61 1axj h GLU 8 Ca 0.04 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1axj h GLU 8 Cb 0.21 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1axj h GLU 8 CO -0.00 0.34 -0.28 0.28 -1.16 0.00 0.00 179.01 178.20 1axj h VAL 9 N 0.51 1.28 -0.99 3.13 2.07 -0.79 -3.02 116.25 118.44 1axj h VAL 9 Ca 0.14 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.24 1axj h VAL 9 Cb -0.03 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1axj h VAL 9 CO -0.03 0.48 0.65 -0.07 0.02 0.00 0.00 177.57 178.63 1axj h LEU 10 N 0.69 1.12 -1.88 2.57 -0.00 0.09 -1.48 115.31 116.43 1axj h LEU 10 Ca 0.08 -0.03 0.12 0.00 -0.00 0.00 0.00 57.88 58.05 1axj h LEU 10 Cb 0.85 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 41.22 1axj h LEU 10 CO 0.07 0.80 0.50 0.11 -0.00 0.00 0.00 178.44 179.93 1axj h LYS 11 N 1.32 0.00 -6.16 1.13 6.56 -0.65 -3.42 116.57 115.35 1axj h LYS 11 Ca 0.37 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 59.47 1axj h LYS 11 Cb -0.12 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.51 1axj h LYS 11 CO -0.09 0.00 -0.46 -0.80 -2.06 0.00 0.00 179.45 176.04 1axj s ASN 12 N -4.98 6.12 0.47 0.86 0.01 -0.56 -5.09 114.94 111.77 1axj s ASN 12 Ca -0.04 0.02 -0.21 0.00 -0.71 0.00 0.00 52.86 51.91 1axj s ASN 12 Cb 0.14 -1.76 -0.08 0.00 0.41 0.00 0.00 41.25 39.96 1axj s ASN 12 CO 0.49 -0.03 1.06 -0.70 -1.51 0.00 0.00 177.10 176.41 1axj s GLU 13 N -3.74 3.86 -0.10 -0.60 2.56 -1.26 -4.83 118.70 114.58 1axj s GLU 13 Ca 0.34 1.45 -0.33 0.00 0.00 0.00 0.00 54.97 56.43 1axj s GLU 13 Cb -0.09 -2.23 0.14 0.00 2.00 0.00 0.00 34.13 33.95 1axj s GLU 13 CO 0.28 -0.40 1.37 0.20 -0.56 0.00 0.00 175.26 176.15 1axj s GLY 14 N -1.81 -0.43 -0.03 -1.50 0.00 -1.26 -1.97 107.32 100.32 1axj s GLY 14 Ca 0.65 1.03 -0.03 0.00 0.00 0.00 0.00 44.72 46.37 1axj s GLY 14 CO 0.23 0.24 0.15 0.14 0.00 0.00 0.00 173.10 173.86 1axj s VAL 15 N -2.17 5.28 0.15 1.40 1.01 -1.26 -0.83 120.40 123.98 1axj s VAL 15 Ca 0.14 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1axj s VAL 15 Cb 0.05 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1axj s VAL 15 CO -0.05 0.40 -0.10 -0.69 0.00 0.00 0.00 175.10 174.65 1axj s VAL 16 N -1.22 1.20 0.05 2.92 1.01 0.16 -2.30 120.40 122.21 1axj s VAL 16 Ca 0.23 -2.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.11 1axj s VAL 16 Cb -0.12 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1axj s VAL 16 CO 0.14 -0.74 0.04 0.00 0.00 0.00 0.00 175.10 174.54 1axj s ALA 17 N -3.30 0.18 -0.06 5.51 0.00 0.42 -1.18 121.76 123.33 1axj s ALA 17 Ca 0.17 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 1axj s ALA 17 Cb 0.02 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.46 1axj s ALA 17 CO 0.01 -0.35 0.06 0.42 0.00 0.00 0.00 175.76 175.90 1axj s ILE 18 N -3.24 -0.07 -0.47 0.00 1.09 -0.22 -0.55 121.20 117.73 1axj s ILE 18 Ca 0.00 0.33 -0.23 0.00 -1.10 0.00 0.00 60.65 59.66 1axj s ILE 18 Cb 0.03 -0.23 0.03 0.00 -1.06 0.00 0.00 42.46 41.23 1axj s ILE 18 CO -0.08 0.13 0.79 0.00 -0.10 0.00 0.00 174.94 175.68 1axj s ALA 19 N 2.15 3.28 -0.46 9.38 0.00 0.46 -0.69 121.76 135.87 1axj s ALA 19 Ca 0.05 -1.14 -0.23 0.00 0.00 0.00 0.00 51.96 50.64 1axj s ALA 19 Cb -0.13 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.53 1axj s ALA 19 CO -0.04 -2.01 0.78 0.99 0.00 0.00 0.00 175.76 175.48 1axj s THR 20 N 3.31 4.65 0.31 0.00 2.01 -0.14 -1.28 115.64 124.49 1axj s THR 20 Ca 0.28 0.35 -0.28 0.00 0.31 0.00 0.00 61.69 62.34 1axj s THR 20 Cb -0.13 -4.33 -0.09 0.00 0.01 0.00 0.00 72.50 67.95 1axj s THR 20 CO 0.21 -0.75 1.11 -1.58 -0.69 0.00 0.00 174.62 172.92 1axj s GLN 21 N 3.28 4.50 0.00 4.92 2.00 -0.67 -1.07 119.66 132.62 1axj s GLN 21 Ca 0.29 1.80 0.00 0.00 -2.00 0.00 0.00 55.36 55.44 1axj s GLN 21 Cb -0.13 -3.04 0.00 0.00 0.80 0.00 0.00 33.01 30.64 1axj s GLN 21 CO 0.22 0.08 0.00 0.41 -0.50 0.00 0.00 175.29 175.50 1axj n GLY 22 N 0.99 0.13 1.04 2.59 0.00 -1.26 -4.27 105.19 104.41 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 -0.84 0.00 -1.01 1.61 2.13 -1.26 -4.35 120.64 116.92 1axj n GLU 23 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 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 -3.16 5.67 0.00 4.31 5.75 -1.26 -4.79 116.55 123.07 1axj n ASP 24 Ca 0.00 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.33 1axj n ASP 24 Cb 0.00 -1.38 0.00 0.00 -1.03 0.00 0.00 41.12 38.71 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 2.76 -2.74 3.76 6.12 0.00 -1.26 -4.99 105.19 108.83 1axj n GLY 25 Ca 0.48 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 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 -5.00 2.02 -0.38 1.61 0.04 -1.26 -4.32 135.00 127.71 1axj s PRO 26 Ca 0.00 1.07 0.04 0.00 0.04 0.00 0.00 61.00 62.15 1axj s PRO 26 Cb 0.00 -1.88 0.11 0.00 0.04 0.00 0.00 34.50 32.77 1axj s PRO 26 CO 0.00 -1.78 0.11 -1.58 0.04 0.00 0.00 177.00 173.78 1axj s HIS 27 N -2.92 3.44 -1.03 0.56 2.46 -0.23 -4.89 115.29 112.69 1axj s HIS 27 Ca 0.62 -2.94 -0.21 0.00 0.47 0.00 0.00 55.06 53.00 1axj s HIS 27 Cb -0.17 -2.79 0.08 0.00 -0.13 0.00 0.00 32.58 29.57 1axj s HIS 27 CO 0.56 -0.89 1.37 -1.17 -2.47 0.00 0.00 174.74 172.14 1axj s LEU 28 N 0.66 4.11 0.75 8.88 2.96 -1.26 -0.97 118.68 133.82 1axj s LEU 28 Ca 0.12 -1.81 -0.10 0.00 -0.22 0.00 0.00 54.13 52.12 1axj s LEU 28 Cb -0.21 -2.51 0.06 0.00 0.50 0.00 0.00 46.19 44.04 1axj s LEU 28 CO -0.07 -1.30 1.10 0.68 -1.32 0.00 0.00 176.35 175.44 1axj s VAL 29 N 4.00 2.37 0.38 1.68 -7.23 0.13 -4.81 120.40 116.91 1axj s VAL 29 Ca 0.42 -0.04 0.08 0.00 -1.81 0.00 0.00 61.98 60.64 1axj s VAL 29 Cb -0.01 -3.08 -0.07 0.00 0.56 0.00 0.00 36.38 33.78 1axj s VAL 29 CO -0.08 -0.10 -0.01 0.20 -0.31 0.00 0.00 175.10 174.81 1axj s ASN 30 N -4.52 3.93 0.15 4.85 0.02 -1.26 -1.06 114.94 117.06 1axj s ASN 30 Ca 0.60 -1.23 -0.24 0.00 -1.02 0.00 0.00 52.86 50.97 1axj s ASN 30 Cb -0.11 -0.41 0.08 0.00 0.02 0.00 0.00 41.25 40.83 1axj s ASN 30 CO 0.48 -0.35 1.03 0.28 0.02 0.00 0.00 177.10 178.56 1axj s THR 31 N -2.64 0.00 0.01 1.60 -1.32 -0.33 -4.92 115.64 108.04 1axj s THR 31 Ca 0.35 -0.58 0.08 0.00 -1.21 0.00 0.00 61.69 60.33 1axj s THR 31 Cb 0.05 -2.46 -0.02 0.00 -1.51 0.00 0.00 72.50 68.56 1axj s THR 31 CO 0.18 0.00 -0.25 0.26 -2.21 0.00 0.00 174.62 172.60 1axj s TRP 32 N -2.63 2.26 0.51 9.09 0.52 -1.26 -0.66 118.94 126.78 1axj s TRP 32 Ca 0.17 -0.42 0.25 0.00 0.02 0.00 0.00 56.10 56.12 1axj s TRP 32 Cb -0.01 -1.41 1.35 0.00 -1.15 0.00 0.00 33.47 32.25 1axj s TRP 32 CO 0.03 0.03 1.96 -0.91 0.02 0.00 0.00 176.95 178.09 1axj h ASN 33 N 5.19 0.07 -0.09 2.95 2.35 -1.31 0.67 115.58 125.41 1axj h ASN 33 Ca -0.44 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.34 1axj h ASN 33 Cb 1.13 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.49 1axj h ASN 33 CO 0.46 0.03 0.41 -1.28 -1.65 0.00 0.00 177.43 175.40 1axj h SER 34 N 0.07 0.00 -0.00 5.81 0.87 -1.90 -1.68 113.55 116.72 1axj h SER 34 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1axj h SER 34 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1axj h SER 34 CO -0.02 0.00 -0.05 -1.22 -0.53 0.00 0.00 176.83 175.01 1axj n TYR 35 N -3.02 0.00 -2.73 2.24 4.01 0.21 -5.05 117.16 112.83 1axj n TYR 35 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 1axj n TYR 35 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.51 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 -1.16 3.69 -0.03 7.72 1.43 -0.63 -4.25 118.68 125.44 1axj s LEU 36 Ca 0.02 0.91 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1axj s LEU 36 Cb 0.02 -3.85 0.02 0.00 0.03 0.00 0.00 46.19 42.41 1axj s LEU 36 CO 0.06 -0.53 -0.02 -1.59 0.23 0.00 0.00 176.35 174.49 1axj s LYS 37 N -4.57 0.50 0.02 1.70 0.00 -0.73 -5.03 119.74 111.62 1axj s LYS 37 Ca 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 55.97 56.40 1axj s LYS 37 Cb -0.10 -0.58 -0.04 0.00 0.00 0.00 0.00 37.83 37.11 1axj s LYS 37 CO 0.42 -0.07 0.17 0.08 0.00 0.00 0.00 175.35 175.95 1axj s VAL 38 N 0.75 5.23 0.50 1.79 1.01 -1.26 -0.72 120.40 127.70 1axj s VAL 38 Ca -0.08 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1axj s VAL 38 Cb -0.12 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1axj s VAL 38 CO -0.01 0.26 0.02 -0.76 0.00 0.00 0.00 175.10 174.61 1axj s LEU 39 N -2.11 2.22 1.12 3.92 1.43 0.31 -4.97 118.68 120.61 1axj s LEU 39 Ca 0.29 -1.68 -0.17 0.00 -1.03 0.00 0.00 54.13 51.54 1axj s LEU 39 Cb -0.13 -0.62 0.25 0.00 0.03 0.00 0.00 46.19 45.72 1axj s LEU 39 CO 0.21 -0.89 1.13 -0.62 0.23 0.00 0.00 176.35 176.41 1axj s ASP 40 N -3.85 1.63 -1.58 2.29 2.15 -1.26 -3.79 116.67 112.26 1axj s ASP 40 Ca 0.07 0.71 0.00 0.00 0.43 0.00 0.00 52.55 53.76 1axj s ASP 40 Cb 0.01 -1.03 0.00 0.00 -0.30 0.00 0.00 42.92 41.60 1axj s ASP 40 CO 0.04 -3.69 0.00 0.61 -0.17 0.00 0.00 175.17 171.96 1axj n GLY 41 N -1.38 -0.16 2.13 2.66 0.00 -1.26 -1.72 105.19 105.46 1axj n GLY 41 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.79 -3.84 -4.69 1.61 2.04 -1.26 -4.90 115.26 102.43 1axj n ASN 42 Ca -0.21 0.34 -0.42 0.00 -0.44 0.00 0.00 54.58 53.85 1axj n ASN 42 Cb 0.65 -3.52 -0.03 0.00 -2.53 0.00 0.00 39.78 34.35 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 -3.35 4.35 0.26 -3.83 3.52 -0.70 -4.14 118.95 115.06 1axj s ARG 43 Ca 0.00 1.77 0.11 0.00 -0.13 0.00 0.00 55.73 57.48 1axj s ARG 43 Cb 0.00 -3.51 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 1axj s ARG 43 CO 0.00 -0.44 -0.14 0.42 -0.81 0.00 0.00 175.30 174.33 1axj s ILE 44 N 1.99 2.79 -0.05 4.11 -1.09 -0.16 -0.53 121.20 128.27 1axj s ILE 44 Ca 0.58 -2.19 -0.08 0.00 -2.23 0.00 0.00 60.65 56.73 1axj s ILE 44 Cb -0.27 -2.46 0.02 0.00 -1.58 0.00 0.00 42.46 38.16 1axj s ILE 44 CO 0.25 -0.35 0.20 -0.69 -1.23 0.00 0.00 174.94 173.12 1axj s VAL 45 N -2.34 0.03 -0.04 2.92 1.01 0.10 -0.28 120.40 121.81 1axj s VAL 45 Ca 0.29 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1axj s VAL 45 Cb -0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 1axj s VAL 45 CO 0.16 -0.15 -0.18 -0.69 0.00 0.00 0.00 175.10 174.24 1axj s VAL 46 N -0.53 1.44 -0.51 2.92 1.01 0.18 -1.77 120.40 123.14 1axj s VAL 46 Ca -0.06 -0.74 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 1axj s VAL 46 Cb -0.04 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.15 1axj s VAL 46 CO 0.01 0.41 1.01 -2.16 0.00 0.00 0.00 175.10 174.37 1axj s PRO 47 N -0.09 3.51 -0.43 2.72 0.04 -1.26 -0.71 135.00 138.78 1axj s PRO 47 Ca -0.01 0.14 -0.25 0.00 0.04 0.00 0.00 61.00 60.92 1axj s PRO 47 Cb -0.10 -3.97 0.02 0.00 0.04 0.00 0.00 34.50 30.49 1axj s PRO 47 CO 0.01 -1.39 0.89 0.54 0.04 0.00 0.00 177.00 177.09 1axj s VAL 48 N 4.13 4.55 -0.04 -0.36 0.11 -0.54 -4.88 120.40 123.36 1axj s VAL 48 Ca 0.38 0.83 0.18 0.00 -2.93 0.00 0.00 61.98 60.44 1axj s VAL 48 Cb -0.10 -4.37 -0.28 0.00 -1.53 0.00 0.00 36.38 30.10 1axj s VAL 48 CO 0.25 -0.71 0.36 0.61 -3.33 0.00 0.00 175.10 172.28 1axj n GLY 49 N 4.77 -0.84 0.45 6.54 0.00 -1.26 -0.23 105.19 114.61 1axj n GLY 49 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 1.52 0.93 2.90 -0.02 0.00 -1.26 -4.41 105.19 104.85 1axj n GLY 50 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 4.52 -0.02 1.61 2.81 -1.26 -4.79 117.12 119.99 1axj n MET 51 Ca 0.00 -4.36 -0.12 0.00 -1.81 0.00 0.00 57.70 51.41 1axj n MET 51 Cb 0.51 -2.57 -0.07 0.00 -0.71 0.00 0.00 33.22 30.38 1axj n MET 51 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1axj h HIS 52 N 5.24 0.15 -0.93 2.03 3.86 -1.99 -1.22 115.15 122.28 1axj h HIS 52 Ca 0.31 -0.02 0.19 0.00 -1.16 0.00 0.00 60.37 59.70 1axj h HIS 52 Cb 0.55 -0.04 -0.08 0.00 1.06 0.00 0.00 27.41 28.90 1axj h HIS 52 CO 1.13 0.30 0.60 -0.22 0.86 0.00 0.00 177.93 180.61 1axj h LYS 53 N -0.05 0.50 -0.67 2.45 3.64 -2.00 -0.18 116.57 120.27 1axj h LYS 53 Ca 0.03 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1axj h LYS 53 Cb 0.23 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1axj h LYS 53 CO -0.00 0.33 0.13 1.15 -2.27 0.00 0.00 179.45 178.79 1axj h THR 54 N 0.52 1.26 -0.19 1.00 2.02 -1.69 0.24 112.91 116.07 1axj h THR 54 Ca 0.49 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.71 1axj h THR 54 Cb 1.07 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 1axj h THR 54 CO -0.22 0.38 -0.09 -0.08 0.37 0.00 0.00 175.52 175.87 1axj h GLU 55 N 1.02 -0.07 -0.13 6.66 4.81 0.05 0.18 114.58 127.11 1axj h GLU 55 Ca 0.21 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1axj h GLU 55 Cb 0.41 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1axj h GLU 55 CO 0.01 -0.05 0.05 0.00 -0.73 0.00 0.00 179.01 178.29 1axj h ALA 56 N 1.09 0.14 -0.82 2.92 0.00 -1.11 -1.90 119.26 119.58 1axj h ALA 56 Ca 0.10 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1axj h ALA 56 Cb 0.23 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1axj h ALA 56 CO -0.24 -0.40 0.52 -0.91 0.00 0.00 0.00 179.25 178.23 1axj h ASN 57 N 0.12 0.87 -0.13 0.00 4.21 0.06 0.11 115.58 120.81 1axj h ASN 57 Ca 0.05 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.55 1axj h ASN 57 Cb 0.02 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.02 1axj h ASN 57 CO -0.05 0.59 0.05 0.58 -1.29 0.00 0.00 177.43 177.32 1axj h VAL 58 N 1.02 1.15 -0.13 2.81 2.07 -0.86 0.15 116.25 122.46 1axj h VAL 58 Ca 0.33 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.44 1axj h VAL 58 Cb 0.03 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1axj h VAL 58 CO -0.12 0.14 0.10 0.00 0.02 0.00 0.00 177.57 177.70 1axj h ALA 59 N 0.90 2.02 0.05 1.67 0.00 -0.48 -3.21 119.26 120.21 1axj h ALA 59 Ca 0.04 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1axj h ALA 59 Cb 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1axj h ALA 59 CO -0.00 -0.16 -1.22 0.00 0.00 0.00 0.00 179.25 177.86 1axj h ARG 60 N 0.00 0.10 -3.57 0.00 3.08 -0.37 -3.48 114.38 110.15 1axj h ARG 60 Ca 0.06 -0.17 -0.28 0.00 0.07 0.00 0.00 59.98 59.65 1axj h ARG 60 Cb 0.25 0.06 -0.33 0.00 0.08 0.00 0.00 29.97 30.04 1axj h ARG 60 CO -0.00 1.08 -0.73 0.34 -1.07 0.00 0.00 179.97 179.60 1axj s ASP 61 N -6.85 0.05 0.41 7.04 2.15 0.47 -5.04 116.67 114.91 1axj s ASP 61 Ca -0.24 0.03 0.23 0.00 0.43 0.00 0.00 52.55 53.00 1axj s ASP 61 Cb 0.04 -0.05 0.59 0.00 -0.30 0.00 0.00 42.92 43.21 1axj s ASP 61 CO 0.68 -0.10 1.69 1.05 -0.17 0.00 0.00 175.17 178.31 1axj h GLU 62 N 7.03 0.00 -6.63 4.34 4.11 -1.80 -3.32 114.58 118.31 1axj h GLU 62 Ca -0.41 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.50 1axj h GLU 62 Cb 1.14 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.44 1axj h GLU 62 CO 0.49 0.20 0.98 1.03 0.07 0.00 0.00 179.01 181.78 1axj s ARG 63 N -3.35 4.15 -0.00 1.06 3.00 -1.26 -0.55 118.95 122.01 1axj s ARG 63 Ca 0.03 2.53 0.00 0.00 0.00 0.00 0.00 55.73 58.30 1axj s ARG 63 Cb 0.08 -3.14 0.00 0.00 0.00 0.00 0.00 34.95 31.89 1axj s ARG 63 CO 0.66 -0.71 -0.01 0.14 0.00 0.00 0.00 175.30 175.38 1axj s VAL 64 N 1.28 0.07 0.26 3.52 -7.23 -0.16 -1.68 120.40 116.46 1axj s VAL 64 Ca 0.74 -0.03 -0.05 0.00 -1.81 0.00 0.00 61.98 60.83 1axj s VAL 64 Cb -0.48 -0.07 -0.05 0.00 0.56 0.00 0.00 36.38 36.34 1axj s VAL 64 CO 0.32 0.03 0.52 -0.22 -0.31 0.00 0.00 175.10 175.43 1axj s LEU 65 N 0.04 4.11 0.00 1.32 2.96 -0.40 -1.44 118.68 125.27 1axj s LEU 65 Ca -0.00 0.69 -0.00 0.00 -0.22 0.00 0.00 54.13 54.59 1axj s LEU 65 Cb -0.01 -3.48 -0.00 0.00 0.50 0.00 0.00 46.19 43.19 1axj s LEU 65 CO -0.00 -0.14 -0.00 -0.32 -1.32 0.00 0.00 176.35 174.57 1axj s MET 66 N -3.36 0.04 -0.08 1.98 -2.45 0.11 -0.41 119.30 115.14 1axj s MET 66 Ca 0.43 -0.08 0.04 0.00 -1.25 0.00 0.00 55.69 54.83 1axj s MET 66 Cb -0.11 0.02 0.00 0.00 1.25 0.00 0.00 34.83 35.99 1axj s MET 66 CO 0.28 -0.01 -0.20 0.95 1.05 0.00 0.00 175.02 177.10 1axj s THR 67 N -0.20 1.72 0.36 10.11 -4.23 0.29 -0.17 115.64 123.53 1axj s THR 67 Ca -0.02 -0.83 0.08 0.00 -1.18 0.00 0.00 61.69 59.74 1axj s THR 67 Cb -0.01 -1.51 -0.05 0.00 1.34 0.00 0.00 72.50 72.27 1axj s THR 67 CO -0.00 0.49 0.06 -1.48 -0.54 0.00 0.00 174.62 173.14 1axj s LEU 68 N 0.40 3.03 0.18 4.79 0.05 -0.58 -0.44 118.68 126.12 1axj s LEU 68 Ca -0.16 -1.01 -0.22 0.00 0.05 0.00 0.00 54.13 52.79 1axj s LEU 68 Cb -0.17 -1.39 0.08 0.00 -2.05 0.00 0.00 46.19 42.67 1axj s LEU 68 CO 0.07 -0.32 1.05 -0.83 -0.55 0.00 0.00 176.35 175.77 1axj s GLY 69 N -3.77 0.11 0.21 -3.48 0.00 -0.97 -1.47 107.32 97.95 1axj s GLY 69 Ca 0.36 -0.33 -0.08 0.00 0.00 0.00 0.00 44.72 44.67 1axj s GLY 69 CO 0.20 2.64 0.32 -0.45 0.00 0.00 0.00 173.10 175.81 1axj s SER 70 N -3.44 0.02 0.00 1.64 0.15 -0.02 -4.01 113.70 108.04 1axj s SER 70 Ca 0.22 -1.05 0.04 0.00 0.70 0.00 0.00 55.95 55.86 1axj s SER 70 Cb -0.03 0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1axj s SER 70 CO 0.05 -0.98 0.19 0.54 1.20 0.00 0.00 173.24 174.24 1axj n ARG 71 N -0.30 5.39 0.01 5.44 5.12 -0.83 -3.21 116.66 128.28 1axj n ARG 71 Ca -0.02 -0.04 0.11 0.00 -1.93 0.00 0.00 57.85 55.97 1axj n ARG 71 Cb 0.63 -0.70 0.13 0.00 -1.16 0.00 0.00 32.46 31.36 1axj n ARG 71 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1axj n LYS 72 N -1.01 0.10 -5.14 5.56 4.76 -1.25 -4.54 118.16 116.64 1axj n LYS 72 Ca 0.01 0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.14 1axj n LYS 72 Cb 0.06 -1.54 -0.16 0.00 -1.84 0.00 0.00 35.03 31.55 1axj n LYS 72 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1axj s VAL 73 N -3.07 2.32 -0.25 -0.18 1.01 -1.21 -4.92 120.40 114.11 1axj s VAL 73 Ca 0.08 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1axj s VAL 73 Cb 0.16 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.67 1axj s VAL 73 CO 0.75 0.56 1.13 0.00 0.00 0.00 0.00 175.10 177.55 1axj s ALA 74 N -0.07 3.60 0.00 5.51 0.00 -1.26 -0.68 121.76 128.85 1axj s ALA 74 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1axj s ALA 74 Cb -0.14 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1axj s ALA 74 CO 0.04 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 174.94 1axj n GLY 75 N 3.64 2.20 0.08 0.00 0.00 -0.84 -4.61 105.19 105.66 1axj n GLY 75 Ca 0.13 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 0.48 -2.29 1.61 5.12 -1.14 -4.82 116.66 115.61 1axj n ARG 76 Ca 0.00 0.49 -0.41 0.00 -1.93 0.00 0.00 57.85 56.00 1axj n ARG 76 Cb 0.00 -1.66 -0.03 0.00 -1.16 0.00 0.00 32.46 29.61 1axj n ARG 76 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1axj s ASN 77 N -5.92 5.85 0.53 0.55 2.20 -1.10 -4.82 114.94 112.23 1axj s ASN 77 Ca -0.19 0.20 0.00 0.00 -0.94 0.00 0.00 52.86 51.93 1axj s ASN 77 Cb 0.03 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 36.74 1axj s ASN 77 CO 0.29 -1.95 0.00 0.61 -2.94 0.00 0.00 177.10 173.11 1axj n GLY 78 N 5.43 -0.23 2.63 0.45 0.00 -1.26 -2.30 105.19 109.92 1axj n GLY 78 Ca 0.13 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.83 2.47 -3.67 1.61 -0.04 -1.26 -3.78 135.00 129.50 1axj n PRO 79 Ca 0.00 -1.83 -0.12 0.00 -0.04 0.00 0.00 63.50 61.51 1axj n PRO 79 Cb 0.00 -2.71 -0.12 0.00 -0.04 0.00 0.00 33.50 30.63 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 3.35 -0.20 0.52 0.55 0.00 -0.54 -3.30 107.32 107.70 1axj s GLY 80 Ca 0.51 1.15 0.06 0.00 0.00 0.00 0.00 44.72 46.44 1axj s GLY 80 CO -0.02 2.00 0.38 -1.08 0.00 0.00 0.00 173.10 174.37 1axj s THR 81 N 2.27 1.82 0.10 0.90 -1.32 0.14 -1.99 115.64 117.56 1axj s THR 81 Ca -0.02 -1.50 -0.25 0.00 -1.21 0.00 0.00 61.69 58.71 1axj s THR 81 Cb -0.12 -2.32 0.09 0.00 -1.51 0.00 0.00 72.50 68.64 1axj s THR 81 CO -0.10 0.00 1.14 -0.83 -2.21 0.00 0.00 174.62 172.62 1axj s GLY 82 N -4.23 -0.04 0.05 6.08 0.00 0.06 -0.84 107.32 108.40 1axj s GLY 82 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1axj s GLY 82 CO 0.22 2.97 -0.05 -1.36 0.00 0.00 0.00 173.10 174.88 1axj s PHE 83 N -2.24 0.53 -0.20 1.90 0.40 -0.54 -2.03 117.98 115.80 1axj s PHE 83 Ca 0.23 -0.75 -0.09 0.00 -0.60 0.00 0.00 56.93 55.72 1axj s PHE 83 Cb -0.01 -0.35 -0.05 0.00 0.51 0.00 0.00 43.02 43.12 1axj s PHE 83 CO 0.02 -0.21 0.11 -1.17 0.70 0.00 0.00 175.22 174.67 1axj s LEU 84 N -2.19 4.06 0.06 -0.37 1.98 0.41 -1.52 118.68 121.11 1axj s LEU 84 Ca -0.03 0.16 0.02 0.00 -2.89 0.00 0.00 54.13 51.39 1axj s LEU 84 Cb -0.02 -2.05 -0.03 0.00 0.66 0.00 0.00 46.19 44.75 1axj s LEU 84 CO -0.04 0.16 -0.07 -0.63 -1.89 0.00 0.00 176.35 173.89 1axj s ILE 85 N 0.45 0.54 0.00 6.68 1.09 0.76 -0.58 121.20 130.15 1axj s ILE 85 Ca 0.06 -1.41 0.02 0.00 -1.10 0.00 0.00 60.65 58.22 1axj s ILE 85 Cb -0.12 -1.01 -0.01 0.00 -1.06 0.00 0.00 42.46 40.27 1axj s ILE 85 CO -0.01 -0.60 -0.06 -0.13 -0.10 0.00 0.00 174.94 174.05 1axj s ARG 86 N -2.49 0.45 0.00 2.79 0.52 -0.39 -0.71 118.95 119.12 1axj s ARG 86 Ca -0.02 -0.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 1axj s ARG 86 Cb -0.04 -0.40 0.00 0.00 0.52 0.00 0.00 34.95 35.03 1axj s ARG 86 CO -0.02 0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.81 1axj n GLY 87 N 2.70 1.07 3.38 -3.53 0.00 -0.52 -1.10 105.19 107.19 1axj n GLY 87 Ca -0.14 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.94 3.18 0.32 1.61 0.01 -0.62 -0.99 113.70 116.26 1axj s SER 88 Ca 0.00 -0.77 0.08 0.00 1.31 0.00 0.00 55.95 56.57 1axj s SER 88 Cb 0.00 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 1axj s SER 88 CO 0.00 0.14 0.15 0.00 0.41 0.00 0.00 173.24 173.93 1axj s ALA 89 N -1.25 3.51 -0.29 1.44 0.00 0.29 -0.15 121.76 125.30 1axj s ALA 89 Ca 0.14 -1.72 -0.11 0.00 0.00 0.00 0.00 51.96 50.27 1axj s ALA 89 Cb -0.09 -0.87 0.12 0.00 0.00 0.00 0.00 23.12 22.28 1axj s ALA 89 CO 0.06 0.09 0.64 0.00 0.00 0.00 0.00 175.76 176.56 1axj s ALA 90 N -2.36 -1.98 0.44 0.00 0.00 0.42 -4.85 121.76 113.43 1axj s ALA 90 Ca 0.37 2.32 -0.21 0.00 0.00 0.00 0.00 51.96 54.43 1axj s ALA 90 Cb -0.04 -1.71 -0.10 0.00 0.00 0.00 0.00 23.12 21.27 1axj s ALA 90 CO 0.23 -0.86 0.99 -0.06 0.00 0.00 0.00 175.76 176.07 1axj s PHE 91 N 2.74 3.22 -0.02 0.00 0.40 -1.26 -0.84 117.98 122.20 1axj s PHE 91 Ca -0.06 1.62 -0.01 0.00 -0.60 0.00 0.00 56.93 57.87 1axj s PHE 91 Cb -0.11 -2.97 0.02 0.00 0.51 0.00 0.00 43.02 40.47 1axj s PHE 91 CO -0.19 -0.42 0.05 1.03 0.70 0.00 0.00 175.22 176.40 1axj s ARG 92 N -3.03 0.02 -0.13 0.44 1.81 -0.11 -4.93 118.95 113.02 1axj s ARG 92 Ca 0.63 0.16 0.18 0.00 -1.72 0.00 0.00 55.73 54.98 1axj s ARG 92 Cb -0.14 -0.12 0.29 0.00 -0.45 0.00 0.00 34.95 34.53 1axj s ARG 92 CO 0.18 -0.10 1.15 0.25 -0.68 0.00 0.00 175.30 176.10 1axj n THR 93 N 3.69 1.86 -3.55 0.02 -2.24 -1.26 -0.39 114.28 112.41 1axj n THR 93 Ca -0.21 -2.24 -0.17 0.00 -2.27 0.00 0.00 64.05 59.16 1axj n THR 93 Cb 0.55 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.85 -0.60 0.00 3.42 2.15 -1.26 -4.96 116.67 112.57 1axj s ASP 94 Ca 0.31 0.64 0.00 0.00 0.43 0.00 0.00 52.55 53.93 1axj s ASP 94 Cb 0.28 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.41 1axj s ASP 94 CO 0.03 -0.59 0.00 0.61 -0.17 0.00 0.00 175.17 175.04 1axj n GLY 95 N 0.94 -2.92 0.14 2.66 0.00 -1.26 -4.22 105.19 100.53 1axj n GLY 95 Ca -0.19 -1.77 0.09 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.45 0.11 0.22 1.61 -0.04 -1.26 -1.22 135.00 133.98 1axj n PRO 96 Ca 0.00 0.60 -0.09 0.00 -0.04 0.00 0.00 63.50 63.97 1axj n PRO 96 Cb 0.00 -1.94 -0.04 0.00 -0.04 0.00 0.00 33.50 31.48 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 -0.57 -0.15 0.54 4.39 -1.97 -1.41 114.58 115.42 1axj h GLU 97 Ca 0.00 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1axj h GLU 97 Cb 0.12 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1axj h GLU 97 CO 0.00 -0.38 0.01 0.35 -1.16 0.00 0.00 179.01 177.83 1axj h PHE 98 N -0.79 0.20 -0.01 4.33 3.57 -1.34 -1.73 116.94 121.17 1axj h PHE 98 Ca -0.06 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1axj h PHE 98 Cb 0.45 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1axj h PHE 98 CO 0.06 0.21 -0.01 0.93 -2.23 0.00 0.00 178.31 177.27 1axj h GLU 99 N 0.21 0.03 -0.51 1.11 5.08 -1.36 0.12 114.58 119.27 1axj h GLU 99 Ca 0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1axj h GLU 99 Cb 0.13 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1axj h GLU 99 CO 0.00 0.48 0.27 0.00 -1.00 0.00 0.00 179.01 178.76 1axj h ALA 100 N 0.55 1.52 0.00 3.43 0.00 -0.98 -1.01 119.26 122.78 1axj h ALA 100 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1axj h ALA 100 Cb 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1axj h ALA 100 CO 0.00 0.39 0.00 -0.84 0.00 0.00 0.00 179.25 178.81 1axj h ILE 101 N 0.70 0.00 -0.89 0.00 -0.00 -1.21 -3.34 117.51 112.77 1axj h ILE 101 Ca 0.18 -0.75 0.26 0.00 -0.00 0.00 0.00 64.86 64.55 1axj h ILE 101 Cb 0.03 1.74 -0.04 0.00 -0.00 0.00 0.00 36.82 38.56 1axj h ILE 101 CO -0.03 0.00 0.79 0.00 -0.00 0.00 0.00 178.15 178.91 1axj h ALA 102 N 2.20 2.75 -1.09 0.16 0.00 0.67 0.12 119.26 124.07 1axj h ALA 102 Ca 0.00 -0.03 0.30 0.00 0.00 0.00 0.00 54.91 55.18 1axj h ALA 102 Cb 0.85 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 1axj h ALA 102 CO 0.00 -1.25 0.70 0.07 0.00 0.00 0.00 179.25 178.77 1axj h ARG 103 N 0.00 0.32 -7.77 0.00 0.11 -1.70 -3.41 114.38 101.93 1axj h ARG 103 Ca 0.42 -0.02 -0.45 0.00 0.10 0.00 0.00 59.98 60.04 1axj h ARG 103 Cb 1.99 -0.07 0.16 0.00 1.11 0.00 0.00 29.97 33.16 1axj h ARG 103 CO -0.00 0.21 0.40 -0.06 0.10 0.00 0.00 179.97 180.62 1axj s PHE 104 N -5.46 1.60 0.00 4.08 0.08 0.03 -5.04 117.98 113.27 1axj s PHE 104 Ca -0.09 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.24 1axj s PHE 104 Cb 0.26 -4.04 0.00 0.00 -0.57 0.00 0.00 43.02 38.68 1axj s PHE 104 CO 0.80 -2.58 0.00 1.17 -0.10 0.00 0.00 175.22 174.51 1axj n LYS 105 N -3.70 0.00 -0.23 0.44 3.00 -1.26 -4.72 118.16 111.69 1axj n LYS 105 Ca 0.15 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.54 1axj n LYS 105 Cb 0.59 -0.44 0.21 0.00 0.00 0.00 0.00 35.03 35.39 1axj n LYS 105 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.40 174.73 1axj n TRP 106 N 0.00 0.61 -2.92 5.64 4.27 -1.26 -5.03 117.44 118.75 1axj n TRP 106 Ca 0.00 -0.44 -0.36 0.00 -3.89 0.00 0.00 57.50 52.81 1axj n TRP 106 Cb 0.24 -0.01 -0.06 0.00 -1.36 0.00 0.00 31.31 30.11 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 -1.04 3.26 0.00 -1.67 0.00 -1.26 -4.30 121.76 116.75 1axj s ALA 107 Ca 0.33 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1axj s ALA 107 Cb 0.17 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1axj s ALA 107 CO 0.23 0.23 0.00 -2.13 0.00 0.00 0.00 175.76 174.09 1axj n ARG 108 N 0.36 4.26 -3.59 0.00 3.00 0.68 -4.89 116.66 116.48 1axj n ARG 108 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.82 1axj n ARG 108 Cb 0.51 -0.65 -0.02 0.00 0.00 0.00 0.00 32.46 32.30 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 -1.28 -2.04 -0.46 5.13 0.00 -0.12 -4.92 121.76 118.07 1axj s ALA 109 Ca 0.00 1.34 -0.10 0.00 0.00 0.00 0.00 51.96 53.20 1axj s ALA 109 Cb 0.00 0.05 0.10 0.00 0.00 0.00 0.00 23.12 23.28 1axj s ALA 109 CO 0.00 -0.69 0.32 0.00 0.00 0.00 0.00 175.76 175.40 1axj s ALA 110 N -2.55 3.38 -0.84 0.00 0.00 0.48 -1.47 121.76 120.75 1axj s ALA 110 Ca 0.09 -2.38 -0.25 0.00 0.00 0.00 0.00 51.96 49.42 1axj s ALA 110 Cb -0.00 -2.79 0.03 0.00 0.00 0.00 0.00 23.12 20.36 1axj s ALA 110 CO -0.05 -1.81 1.40 -1.17 0.00 0.00 0.00 175.76 174.13 1axj s LEU 111 N 1.41 3.29 0.05 0.00 2.96 0.11 -0.94 118.68 125.56 1axj s LEU 111 Ca 0.05 -0.79 -0.30 0.00 -0.22 0.00 0.00 54.13 52.87 1axj s LEU 111 Cb -0.25 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 1axj s LEU 111 CO 0.01 -1.78 1.01 -0.69 -1.32 0.00 0.00 176.35 173.58 1axj s VAL 112 N 5.80 4.60 -0.11 1.68 1.01 -0.02 -0.65 120.40 132.70 1axj s VAL 112 Ca 0.42 1.96 0.04 0.00 0.00 0.00 0.00 61.98 64.40 1axj s VAL 112 Cb -0.05 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1axj s VAL 112 CO 0.05 0.21 -0.23 -0.63 0.00 0.00 0.00 175.10 174.50 1axj s ILE 113 N 0.65 2.04 -0.88 2.22 1.01 0.62 -0.44 121.20 126.42 1axj s ILE 113 Ca 0.51 -1.00 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 1axj s ILE 113 Cb -0.23 -1.78 0.22 0.00 0.01 0.00 0.00 42.46 40.68 1axj s ILE 113 CO 0.29 0.55 0.86 -0.89 0.00 0.00 0.00 174.94 175.75 1axj s THR 114 N 0.49 5.59 0.80 2.92 2.01 0.78 -0.99 115.64 127.24 1axj s THR 114 Ca -0.15 -2.54 -0.13 0.00 0.31 0.00 0.00 61.69 59.18 1axj s THR 114 Cb -0.17 -4.52 0.08 0.00 0.01 0.00 0.00 72.50 67.89 1axj s THR 114 CO 0.06 -1.10 1.20 -0.69 -0.69 0.00 0.00 174.62 173.39 1axj s VAL 115 N 0.19 2.13 0.03 3.82 1.01 -1.26 -1.58 120.40 124.75 1axj s VAL 115 Ca 0.21 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1axj s VAL 115 Cb -0.09 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1axj s VAL 115 CO -0.09 -0.04 -0.03 0.52 0.00 0.00 0.00 175.10 175.46 1axj n VAL 116 N -3.29 0.74 -3.77 2.92 0.31 -0.26 -4.63 118.33 110.35 1axj n VAL 116 Ca 0.13 0.20 -0.13 0.00 -0.01 0.00 0.00 64.34 64.53 1axj n VAL 116 Cb 0.51 -1.59 -0.11 0.00 -0.91 0.00 0.00 33.84 31.74 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 -5.63 -0.30 -0.04 4.52 0.01 -1.18 0.10 113.70 111.18 1axj s SER 117 Ca -0.03 0.54 0.06 0.00 1.31 0.00 0.00 55.95 57.83 1axj s SER 117 Cb 0.01 0.58 -0.02 0.00 0.21 0.00 0.00 66.02 66.80 1axj s SER 117 CO 0.03 -0.15 -0.20 0.00 0.41 0.00 0.00 173.24 173.33 1axj s ALA 118 N -0.03 2.39 -0.00 1.44 0.00 -1.26 -1.27 121.76 123.03 1axj s ALA 118 Ca -0.02 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 1axj s ALA 118 Cb -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1axj s ALA 118 CO 0.01 0.51 0.01 -1.83 0.00 0.00 0.00 175.76 174.45 1axj s GLU 119 N -0.54 -0.00 0.33 0.00 1.03 0.25 -4.60 118.70 115.16 1axj s GLU 119 Ca 0.07 0.03 -0.29 0.00 0.03 0.00 0.00 54.97 54.81 1axj s GLU 119 Cb -0.11 -0.03 -0.11 0.00 -0.80 0.00 0.00 34.13 33.08 1axj s GLU 119 CO 0.01 -0.02 1.41 -1.14 -1.33 0.00 0.00 175.26 174.19 1axj s GLN 120 N 0.14 4.24 0.00 -4.83 2.00 -1.26 -0.45 119.66 119.51 1axj s GLN 120 Ca -0.01 2.37 0.00 0.00 -2.00 0.00 0.00 55.36 55.72 1axj s GLN 120 Cb -0.02 -3.04 0.00 0.00 0.80 0.00 0.00 33.01 30.75 1axj s GLN 120 CO -0.00 -0.38 0.00 0.25 -0.50 0.00 0.00 175.29 174.66 1axj n THR 121 N 1.12 0.00 1.71 -0.34 -2.24 -0.86 -4.80 114.28 108.87 1axj n THR 121 Ca 0.02 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.95 1axj n THR 121 Cb 0.40 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 69.34 1axj n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50