#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjw n THR 2 N 0.00 0.00 -4.89 3.17 -2.24 -1.26 -5.14 114.28 103.92 1xjw n THR 2 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1xjw n THR 2 Cb 0.00 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.06 1xjw n THR 2 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1xjw s HIS 3 N -3.16 2.18 0.79 4.78 0.09 -1.26 -5.13 115.29 113.58 1xjw s HIS 3 Ca 0.00 -0.92 -0.11 0.00 -0.00 0.00 0.00 55.06 54.03 1xjw s HIS 3 Cb 0.00 -1.50 -0.00 0.00 -0.00 0.00 0.00 32.58 31.08 1xjw s HIS 3 CO 0.00 -0.41 -0.31 -3.47 -0.00 0.00 0.00 174.74 170.56 1xjw n ASP 4 N 3.75 -2.52 -0.03 1.40 2.03 -1.26 -4.98 116.55 114.94 1xjw n ASP 4 Ca -0.20 -0.11 -0.00 0.00 0.52 0.00 0.00 54.79 55.00 1xjw n ASP 4 Cb 0.52 -0.59 -0.00 0.00 -0.72 0.00 0.00 41.12 40.33 1xjw n ASP 4 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1xjw h ASN 5 N -1.93 0.00 -3.89 1.67 -0.00 -2.01 -3.48 115.58 105.94 1xjw h ASN 5 Ca -0.19 0.00 -0.46 0.00 -0.00 0.00 0.00 56.30 55.65 1xjw h ASN 5 Cb 0.62 0.00 0.16 0.00 -0.00 0.00 0.00 38.32 39.10 1xjw h ASN 5 CO 0.11 0.26 0.20 -0.54 -0.00 0.00 0.00 177.43 177.46 1xjw s LYS 6 N -1.30 0.55 0.00 6.67 -0.14 -1.26 -5.05 119.74 119.21 1xjw s LYS 6 Ca -0.00 0.62 0.00 0.00 -1.36 0.00 0.00 55.97 55.23 1xjw s LYS 6 Cb 0.00 -1.74 0.00 0.00 -1.68 0.00 0.00 37.83 34.41 1xjw s LYS 6 CO 0.01 -2.68 0.00 1.28 -0.76 0.00 0.00 175.35 173.20 1xjw n LEU 7 N -4.15 0.00 -4.51 3.17 4.77 -1.26 -4.56 117.00 110.46 1xjw n LEU 7 Ca 0.06 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.75 1xjw n LEU 7 Cb 0.56 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.48 1xjw n LEU 7 CO 0.57 0.00 2.05 0.00 -1.33 0.00 0.00 177.39 178.68 1xjw n GLN 8 N 0.00 0.13 -4.63 3.23 3.00 -1.26 -4.89 117.38 112.96 1xjw n GLN 8 Ca 0.00 -0.08 -0.27 0.00 -0.01 0.00 0.00 57.00 56.64 1xjw n GLN 8 Cb 0.00 -1.62 -0.14 0.00 0.00 0.00 0.00 30.24 28.48 1xjw n GLN 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1xjw s VAL 9 N 5.58 1.84 -0.07 5.09 1.01 -1.26 -5.14 120.40 127.44 1xjw s VAL 9 Ca 1.27 -1.35 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1xjw s VAL 9 Cb -0.88 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1xjw s VAL 9 CO 0.47 0.19 -0.10 -1.61 0.00 0.00 0.00 175.10 174.05 1xjw s GLU 10 N -1.38 2.78 0.16 2.72 8.01 -1.26 -5.11 118.70 124.62 1xjw s GLU 10 Ca 0.09 -0.62 0.04 0.00 0.01 0.00 0.00 54.97 54.49 1xjw s GLU 10 Cb -0.09 -2.53 -0.04 0.00 -4.31 0.00 0.00 34.13 27.16 1xjw s GLU 10 CO 0.03 0.57 0.20 0.00 0.01 0.00 0.00 175.26 176.07 1xjw s ALA 11 N -0.58 3.74 0.20 5.21 0.00 -1.26 -5.09 121.76 123.98 1xjw s ALA 11 Ca 0.08 -1.14 -0.19 0.00 0.00 0.00 0.00 51.96 50.71 1xjw s ALA 11 Cb -0.12 -1.54 0.04 0.00 0.00 0.00 0.00 23.12 21.50 1xjw s ALA 11 CO 0.02 0.51 0.58 0.96 0.00 0.00 0.00 175.76 177.82 1xjw s ILE 12 N -1.76 0.01 0.00 0.00 -0.00 -1.26 -5.13 121.20 113.07 1xjw s ILE 12 Ca 0.32 -0.63 0.00 0.00 -0.00 0.00 0.00 60.65 60.34 1xjw s ILE 12 Cb -0.10 -1.52 0.00 0.00 -0.00 0.00 0.00 42.46 40.84 1xjw s ILE 12 CO 0.26 -0.07 0.00 1.17 -0.00 0.00 0.00 174.94 176.30 1xjw n LYS 13 N -0.37 0.00 -4.42 0.37 4.81 -1.26 -3.62 118.16 113.66 1xjw n LYS 13 Ca -0.11 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.04 1xjw n LYS 13 Cb 0.62 -0.20 -0.12 0.00 0.02 0.00 0.00 35.03 35.36 1xjw n LYS 13 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1xjw s ARG 14 N 0.00 1.91 0.00 1.64 1.70 -1.24 -0.52 118.95 122.44 1xjw s ARG 14 Ca 0.00 -1.10 0.00 0.00 -0.47 0.00 0.00 55.73 54.16 1xjw s ARG 14 Cb 0.00 -2.16 0.00 0.00 -0.57 0.00 0.00 34.95 32.22 1xjw s ARG 14 CO 0.00 0.50 0.00 0.41 -1.08 0.00 0.00 175.30 175.13 1xjw n GLY 15 N 1.05 -0.32 3.81 3.88 0.00 0.15 -0.24 105.19 113.51 1xjw n GLY 15 Ca -0.16 -1.59 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 1xjw n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xjw s THR 16 N -2.29 4.48 -0.28 2.61 2.01 -0.33 -0.60 115.64 121.24 1xjw s THR 16 Ca 0.00 -1.17 -0.03 0.00 0.31 0.00 0.00 61.69 60.80 1xjw s THR 16 Cb 0.00 -3.33 0.11 0.00 0.01 0.00 0.00 72.50 69.29 1xjw s THR 16 CO 0.00 -0.18 0.18 -0.69 -0.69 0.00 0.00 174.62 173.24 1xjw s VAL 17 N -1.86 -0.18 -0.15 3.82 1.01 -0.58 -2.07 120.40 120.38 1xjw s VAL 17 Ca 0.31 -0.62 -0.27 0.00 0.00 0.00 0.00 61.98 61.40 1xjw s VAL 17 Cb -0.09 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 1xjw s VAL 17 CO 0.24 -0.61 0.91 -0.63 0.00 0.00 0.00 175.10 175.01 1xjw s ILE 18 N 2.19 4.83 0.19 2.22 -1.09 -0.84 -1.88 121.20 126.82 1xjw s ILE 18 Ca 0.09 1.81 0.08 0.00 -2.23 0.00 0.00 60.65 60.40 1xjw s ILE 18 Cb -0.15 -4.21 -0.05 0.00 -1.58 0.00 0.00 42.46 36.47 1xjw s ILE 18 CO -0.33 -0.00 -0.16 -0.62 -1.23 0.00 0.00 174.94 172.60 1xjw s ASP 19 N 1.14 2.62 -0.32 3.58 -1.08 0.60 -2.35 116.67 120.85 1xjw s ASP 19 Ca 0.42 -0.97 0.00 0.00 -0.52 0.00 0.00 52.55 51.48 1xjw s ASP 19 Cb -0.17 -0.15 0.00 0.00 -1.46 0.00 0.00 42.92 41.14 1xjw s ASP 19 CO 0.13 -0.12 0.00 1.41 0.52 0.00 0.00 175.17 177.11 1xjw n HIS 20 N -0.17 0.00 -1.99 -5.34 8.25 -1.25 -0.34 115.22 114.38 1xjw n HIS 20 Ca -0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.94 1xjw n HIS 20 Cb 0.59 -0.91 -0.03 0.00 1.12 0.00 0.00 29.99 30.76 1xjw n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xjw s ILE 21 N -2.10 3.21 0.83 1.59 1.09 -1.05 -4.39 121.20 120.39 1xjw s ILE 21 Ca 0.00 0.62 -0.13 0.00 -1.10 0.00 0.00 60.65 60.03 1xjw s ILE 21 Cb 0.00 -3.40 0.06 0.00 -1.06 0.00 0.00 42.46 38.06 1xjw s ILE 21 CO 0.00 -0.01 0.92 -2.65 -0.10 0.00 0.00 174.94 173.10 1xjw n PRO 22 N 5.72 0.03 -1.82 2.79 -0.02 -1.26 0.73 135.00 141.17 1xjw n PRO 22 Ca 0.15 0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 1xjw n PRO 22 Cb 0.41 -2.21 -0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1xjw n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xjw s ALA 23 N -2.20 3.56 -0.48 3.55 0.00 -1.26 -2.36 121.76 122.57 1xjw s ALA 23 Ca 0.68 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.19 1xjw s ALA 23 Cb -0.28 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1xjw s ALA 23 CO 0.56 -1.03 0.00 1.04 0.00 0.00 0.00 175.76 176.33 1xjw n GLN 24 N 0.46 -1.02 -0.02 0.00 1.13 -1.26 -4.81 117.38 111.86 1xjw n GLN 24 Ca 0.01 0.53 -0.00 0.00 -1.94 0.00 0.00 57.00 55.59 1xjw n GLN 24 Cb 0.39 -4.44 -0.06 0.00 0.11 0.00 0.00 30.24 26.24 1xjw n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1xjw n ILE 25 N -2.52 0.30 -0.12 5.09 2.08 -1.00 -4.60 119.36 118.60 1xjw n ILE 25 Ca -0.05 -0.27 -0.06 0.00 0.56 0.00 0.00 62.75 62.94 1xjw n ILE 25 Cb 0.33 -0.31 0.03 0.00 -0.75 0.00 0.00 39.64 38.93 1xjw n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1xjw h GLY 26 N 1.55 0.52 2.00 7.39 0.00 -1.88 -1.60 103.07 111.05 1xjw h GLY 26 Ca -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 1xjw h GLY 26 CO 0.01 0.04 -0.12 -2.75 0.00 0.00 0.00 176.54 173.72 1xjw h PHE 27 N 0.32 0.00 0.05 5.60 3.57 -1.94 -2.65 116.94 121.89 1xjw h PHE 27 Ca 0.18 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1xjw h PHE 27 Cb 0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1xjw h PHE 27 CO -0.14 0.12 -0.02 0.87 -2.23 0.00 0.00 178.31 176.91 1xjw h LYS 28 N 0.00 -0.06 -0.74 1.11 6.56 -1.60 -3.11 116.57 118.74 1xjw h LYS 28 Ca -0.00 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.71 1xjw h LYS 28 Cb 0.51 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 32.14 1xjw h LYS 28 CO 0.02 0.57 0.49 -0.07 -2.06 0.00 0.00 179.45 178.40 1xjw h LEU 29 N -0.89 0.49 -2.26 2.94 3.38 -1.31 1.01 115.31 118.68 1xjw h LEU 29 Ca -0.01 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1xjw h LEU 29 Cb 0.66 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1xjw h LEU 29 CO 0.01 0.27 0.11 0.25 0.09 0.00 0.00 178.44 179.18 1xjw h LEU 30 N 0.53 0.00 0.00 1.67 5.85 -1.48 -2.64 115.31 119.24 1xjw h LEU 30 Ca 0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1xjw h LEU 30 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1xjw h LEU 30 CO -0.12 0.00 -0.04 0.28 -0.34 0.00 0.00 178.44 178.22 1xjw h SER 31 N 0.00 0.00 -0.04 1.25 0.02 0.11 -3.31 113.55 111.59 1xjw h SER 31 Ca 0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1xjw h SER 31 Cb 0.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1xjw h SER 31 CO -0.00 0.09 0.03 0.00 -1.14 0.00 0.00 176.83 175.81 1xjw n LEU 32 N -2.50 4.27 0.00 5.07 -0.00 -0.77 -1.97 117.00 121.11 1xjw n LEU 32 Ca -0.00 -2.03 0.00 0.00 -0.00 0.00 0.00 56.01 53.98 1xjw n LEU 32 Cb 0.02 -0.81 0.00 0.00 -0.00 0.00 0.00 43.42 42.63 1xjw n LEU 32 CO 0.01 0.77 0.01 0.49 -0.00 0.00 0.00 177.39 178.67 1xjw n PHE 33 N 0.91 0.00 -4.37 1.47 3.01 -1.00 -5.00 117.46 112.48 1xjw n PHE 33 Ca 0.03 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.14 1xjw n PHE 33 Cb 0.53 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.91 1xjw n PHE 33 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xjw n LYS 34 N -0.01 -0.98 0.09 -1.08 5.02 -0.83 -4.83 118.16 115.53 1xjw n LYS 34 Ca 0.00 0.12 -0.12 0.00 -2.02 0.00 0.00 58.31 56.28 1xjw n LYS 34 Cb 0.17 -3.93 -0.08 0.00 -0.02 0.00 0.00 35.03 31.17 1xjw n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1xjw h LEU 35 N -1.55 0.35 0.00 -0.35 3.38 -1.83 -3.22 115.31 112.09 1xjw h LEU 35 Ca -0.64 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.00 1xjw h LEU 35 Cb 1.40 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1xjw h LEU 35 CO 0.76 1.19 0.00 1.07 0.09 0.00 0.00 178.44 181.55 1xjw n THR 36 N -3.59 1.10 0.13 0.22 5.66 -1.26 -2.62 114.28 113.92 1xjw n THR 36 Ca -0.06 0.28 -0.06 0.00 -3.05 0.00 0.00 64.05 61.15 1xjw n THR 36 Cb 0.91 -1.22 -0.03 0.00 -1.55 0.00 0.00 70.33 68.44 1xjw n THR 36 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1xjw h GLU 37 N 0.00 -0.40 -6.02 1.09 3.07 -1.93 -3.44 114.58 106.96 1xjw h GLU 37 Ca 0.00 0.03 -0.71 0.00 -0.50 0.00 0.00 59.36 58.18 1xjw h GLU 37 Cb 0.03 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 1xjw h GLU 37 CO 0.00 -0.27 1.30 2.41 -1.40 0.00 0.00 179.01 181.05 1xjw n THR 38 N -4.84 0.17 -0.41 1.13 -1.04 -1.08 -4.78 114.28 103.43 1xjw n THR 38 Ca -0.05 -0.16 -0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1xjw n THR 38 Cb 0.16 -1.31 -0.00 0.00 -1.82 0.00 0.00 70.33 67.36 1xjw n THR 38 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1xjw n ASP 39 N 8.47 4.20 -4.64 8.00 5.75 -1.26 -4.81 116.55 132.26 1xjw n ASP 39 Ca 0.41 -2.11 -0.37 0.00 -0.01 0.00 0.00 54.79 52.71 1xjw n ASP 39 Cb 0.15 -0.90 -0.10 0.00 -1.03 0.00 0.00 41.12 39.25 1xjw n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1xjw s GLN 40 N 0.46 4.04 -0.09 0.11 -1.52 -1.26 -4.93 119.66 116.47 1xjw s GLN 40 Ca 0.02 -0.20 -0.01 0.00 -1.95 0.00 0.00 55.36 53.22 1xjw s GLN 40 Cb 0.01 -3.58 -0.03 0.00 -0.22 0.00 0.00 33.01 29.18 1xjw s GLN 40 CO 0.00 -0.05 0.41 -2.13 -0.25 0.00 0.00 175.29 173.27 1xjw n ARG 41 N 4.62 0.00 -3.00 2.91 0.63 -1.26 -4.53 116.66 116.04 1xjw n ARG 41 Ca -0.13 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.43 1xjw n ARG 41 Cb 0.52 -0.30 -0.06 0.00 0.45 0.00 0.00 32.46 33.06 1xjw n ARG 41 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1xjw s ILE 42 N 0.00 4.45 -0.10 5.15 -1.09 -1.26 -4.00 121.20 124.35 1xjw s ILE 42 Ca 0.12 1.47 -0.01 0.00 -2.23 0.00 0.00 60.65 60.00 1xjw s ILE 42 Cb -0.08 -3.92 0.03 0.00 -1.58 0.00 0.00 42.46 36.91 1xjw s ILE 42 CO 0.05 0.21 -0.04 -0.89 -1.23 0.00 0.00 174.94 173.04 1xjw s THR 43 N -1.52 0.78 -0.06 2.92 2.01 0.15 -4.97 115.64 114.95 1xjw s THR 43 Ca 0.45 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.31 1xjw s THR 43 Cb -0.18 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1xjw s THR 43 CO 0.22 0.30 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.69 1xjw s ILE 44 N 1.80 3.14 -0.28 1.82 -1.09 -1.26 -0.15 121.20 125.19 1xjw s ILE 44 Ca 0.05 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 57.78 1xjw s ILE 44 Cb -0.13 -2.24 0.08 0.00 -1.58 0.00 0.00 42.46 38.60 1xjw s ILE 44 CO -0.07 0.59 0.04 -0.83 -1.23 0.00 0.00 174.94 173.43 1xjw s GLY 45 N -0.65 1.22 -0.04 6.18 0.00 0.18 -4.97 107.32 109.24 1xjw s GLY 45 Ca 0.10 -1.59 -0.12 0.00 0.00 0.00 0.00 44.72 43.11 1xjw s GLY 45 CO 0.01 1.29 0.32 1.08 0.00 0.00 0.00 173.10 175.80 1xjw s LEU 46 N 1.47 4.44 -1.69 0.66 1.43 -1.26 -0.56 118.68 123.18 1xjw s LEU 46 Ca 0.04 0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 53.92 1xjw s LEU 46 Cb -0.18 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.62 1xjw s LEU 46 CO -0.15 0.34 0.16 0.59 0.23 0.00 0.00 176.35 177.52 1xjw n ASN 47 N 1.96 -5.88 -4.74 2.29 3.02 -1.13 -4.98 115.26 105.80 1xjw n ASN 47 Ca -0.16 -0.09 -0.31 0.00 -0.03 0.00 0.00 54.58 53.99 1xjw n ASN 47 Cb 0.53 -4.84 0.11 0.00 -0.61 0.00 0.00 39.78 34.97 1xjw n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xjw s LEU 48 N -6.05 3.04 0.61 3.41 1.43 0.38 -4.72 118.68 116.79 1xjw s LEU 48 Ca 0.08 1.97 -0.15 0.00 -1.03 0.00 0.00 54.13 55.00 1xjw s LEU 48 Cb -0.04 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.61 1xjw s LEU 48 CO 0.10 -2.28 1.06 -2.16 0.23 0.00 0.00 176.35 173.30 1xjw s PRO 49 N -4.69 3.24 -0.35 1.29 0.04 -1.26 -0.59 135.00 132.69 1xjw s PRO 49 Ca 0.64 1.20 0.15 0.00 0.04 0.00 0.00 61.00 63.02 1xjw s PRO 49 Cb -0.20 -2.02 0.45 0.00 0.04 0.00 0.00 34.50 32.77 1xjw s PRO 49 CO 0.54 -0.87 0.98 0.45 0.04 0.00 0.00 177.00 178.15 1xjw n SER 50 N -2.16 2.23 0.00 6.66 2.88 0.68 -4.45 113.62 119.47 1xjw n SER 50 Ca 0.09 -2.97 0.00 0.00 -1.33 0.00 0.00 58.87 54.66 1xjw n SER 50 Cb 0.53 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1xjw n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xjw n GLY 51 N -0.15 2.37 0.01 0.46 0.00 -1.26 0.27 105.19 106.89 1xjw n GLY 51 Ca 0.17 0.36 0.13 0.00 0.00 0.00 0.00 46.02 46.68 1xjw n GLY 51 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xjw n GLU 52 N 10.25 0.03 -0.03 1.61 -0.00 -1.26 -3.37 120.64 127.88 1xjw n GLU 52 Ca 0.00 0.02 0.13 0.00 -0.00 0.00 0.00 57.16 57.30 1xjw n GLU 52 Cb 0.00 -1.53 0.54 0.00 -0.00 0.00 0.00 31.44 30.45 1xjw n GLU 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1xjw n MET 53 N -1.58 1.53 0.00 3.44 2.81 0.76 -5.02 117.12 119.06 1xjw n MET 53 Ca 0.06 -0.78 0.00 0.00 -1.81 0.00 0.00 57.70 55.17 1xjw n MET 53 Cb 0.35 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1xjw n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xjw n GLY 54 N 1.10 1.78 3.00 3.03 0.00 -0.74 -4.77 105.19 108.59 1xjw n GLY 54 Ca 0.18 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1xjw n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xjw s ARG 55 N 0.00 0.91 0.23 1.61 0.52 -1.26 0.25 118.95 121.21 1xjw s ARG 55 Ca 0.00 -0.30 0.09 0.00 -0.52 0.00 0.00 55.73 55.00 1xjw s ARG 55 Cb 0.00 -0.86 -0.05 0.00 0.52 0.00 0.00 34.95 34.57 1xjw s ARG 55 CO 0.00 0.12 -0.17 -1.59 0.02 0.00 0.00 175.30 173.68 1xjw s LYS 56 N 0.14 1.46 0.20 3.54 -2.85 0.25 -4.00 119.74 118.47 1xjw s LYS 56 Ca -0.02 -1.64 0.08 0.00 -1.00 0.00 0.00 55.97 53.39 1xjw s LYS 56 Cb -0.08 -1.40 -0.04 0.00 -2.06 0.00 0.00 37.83 34.26 1xjw s LYS 56 CO 0.00 0.25 0.00 -0.51 0.10 0.00 0.00 175.35 175.20 1xjw s ASP 57 N -3.31 4.71 -0.17 0.03 1.01 0.22 -0.47 116.67 118.70 1xjw s ASP 57 Ca 0.25 -0.46 -0.09 0.00 0.71 0.00 0.00 52.55 52.96 1xjw s ASP 57 Cb -0.03 -0.97 0.06 0.00 1.01 0.00 0.00 42.92 42.99 1xjw s ASP 57 CO 0.10 0.07 0.40 -0.22 0.21 0.00 0.00 175.17 175.72 1xjw s LEU 58 N -3.14 -0.09 0.07 1.23 0.20 0.28 -2.53 118.68 114.70 1xjw s LEU 58 Ca 0.28 0.87 0.07 0.00 0.69 0.00 0.00 54.13 56.05 1xjw s LEU 58 Cb -0.09 1.30 -0.04 0.00 -0.43 0.00 0.00 46.19 46.94 1xjw s LEU 58 CO 0.19 -0.19 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.27 1xjw s ILE 59 N 1.47 3.00 -0.07 6.68 1.01 -0.99 0.50 121.20 132.80 1xjw s ILE 59 Ca -0.09 -1.24 -0.03 0.00 0.00 0.00 0.00 60.65 59.29 1xjw s ILE 59 Cb -0.09 -2.32 0.04 0.00 0.01 0.00 0.00 42.46 40.10 1xjw s ILE 59 CO -0.12 0.24 0.13 -0.54 0.00 0.00 0.00 174.94 174.64 1xjw s LYS 60 N -1.76 0.01 -0.16 2.79 1.02 0.79 -1.99 119.74 120.44 1xjw s LYS 60 Ca 0.17 0.46 -0.01 0.00 0.02 0.00 0.00 55.97 56.62 1xjw s LYS 60 Cb -0.11 -0.31 0.04 0.00 -0.52 0.00 0.00 37.83 36.94 1xjw s LYS 60 CO 0.08 -0.28 -0.04 0.96 -0.92 0.00 0.00 175.35 175.15 1xjw s ILE 61 N 1.99 1.02 0.43 2.17 -0.00 -0.88 0.30 121.20 126.24 1xjw s ILE 61 Ca 0.01 -0.55 -0.21 0.00 -0.00 0.00 0.00 60.65 59.89 1xjw s ILE 61 Cb -0.12 -1.21 -0.10 0.00 -0.00 0.00 0.00 42.46 41.03 1xjw s ILE 61 CO -0.05 0.13 0.98 -1.83 -0.00 0.00 0.00 174.94 174.17 1xjw s GLU 62 N 1.67 4.13 -1.83 0.37 -1.05 -1.26 -1.51 118.70 119.23 1xjw s GLU 62 Ca 0.01 1.23 0.00 0.00 -0.15 0.00 0.00 54.97 56.07 1xjw s GLU 62 Cb -0.15 -2.23 0.00 0.00 -0.44 0.00 0.00 34.13 31.31 1xjw s GLU 62 CO -0.08 -0.13 0.00 0.09 0.95 0.00 0.00 175.26 176.10 1xjw n ASN 63 N -0.59 -4.75 -4.01 0.83 4.13 0.67 -4.80 115.26 106.73 1xjw n ASN 63 Ca 0.07 0.38 -0.22 0.00 1.68 0.00 0.00 54.58 56.49 1xjw n ASN 63 Cb 0.53 -4.22 -0.16 0.00 -1.54 0.00 0.00 39.78 34.39 1xjw n ASN 63 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1xjw s THR 64 N -2.56 0.92 -0.11 3.41 -4.23 -1.24 -4.97 115.64 106.86 1xjw s THR 64 Ca 0.00 -0.41 -0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1xjw s THR 64 Cb 0.00 -0.83 0.02 0.00 1.34 0.00 0.00 72.50 73.03 1xjw s THR 64 CO 0.00 0.29 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.94 1xjw s PHE 65 N 0.38 1.41 0.47 3.99 0.08 -1.26 -1.19 117.98 121.87 1xjw s PHE 65 Ca -0.07 -0.68 -0.21 0.00 0.12 0.00 0.00 56.93 56.09 1xjw s PHE 65 Cb -0.12 -1.19 -0.12 0.00 -0.57 0.00 0.00 43.02 41.03 1xjw s PHE 65 CO 0.01 -0.49 0.43 1.28 -0.10 0.00 0.00 175.22 176.36 1xjw n LEU 66 N 4.90 -0.42 -4.52 -0.37 4.77 -1.26 -4.94 117.00 115.15 1xjw n LEU 66 Ca -0.13 0.82 -0.30 0.00 -0.03 0.00 0.00 56.01 56.38 1xjw n LEU 66 Cb 0.50 -1.08 0.21 0.00 -2.33 0.00 0.00 43.42 40.72 1xjw n LEU 66 CO 0.17 -3.25 0.43 -1.20 -1.33 0.00 0.00 177.39 172.21 1xjw n SER 67 N 1.27 -1.08 0.00 -1.43 7.64 -1.26 -4.85 113.62 113.91 1xjw n SER 67 Ca 0.11 0.08 0.02 0.00 1.01 0.00 0.00 58.87 60.09 1xjw n SER 67 Cb 0.43 -1.31 0.10 0.00 -1.01 0.00 0.00 64.21 62.42 1xjw n SER 67 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xjw n GLU 68 N -4.24 0.46 0.00 1.43 1.02 -1.26 -3.31 120.64 114.73 1xjw n GLU 68 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1xjw n GLU 68 Cb 0.54 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 1xjw n GLU 68 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1xjw n ASP 69 N -0.62 0.25 -0.40 1.62 8.00 -1.26 -4.89 116.55 119.25 1xjw n ASP 69 Ca 0.03 0.00 0.33 0.00 0.71 0.00 0.00 54.79 55.86 1xjw n ASP 69 Cb 0.01 0.01 0.60 0.00 -0.02 0.00 0.00 41.12 41.72 1xjw n ASP 69 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1xjw h GLN 70 N 0.00 0.13 -0.22 -1.24 4.20 -1.91 0.74 115.11 116.81 1xjw h GLN 70 Ca 0.00 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1xjw h GLN 70 Cb 0.06 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1xjw h GLN 70 CO 0.00 0.09 -0.24 0.28 -0.67 0.00 0.00 178.83 178.29 1xjw h VAL 71 N 0.13 1.25 -0.02 -0.54 2.07 -1.91 0.71 116.25 117.95 1xjw h VAL 71 Ca 0.80 -1.20 -0.23 0.00 0.82 0.00 0.00 66.70 66.89 1xjw h VAL 71 Cb 2.30 1.35 0.01 0.00 -1.52 0.00 0.00 31.29 33.43 1xjw h VAL 71 CO -0.50 0.38 -0.92 0.44 0.02 0.00 0.00 177.57 176.98 1xjw h ASP 72 N 0.36 0.62 0.92 0.57 3.32 0.20 -2.08 116.42 120.33 1xjw h ASP 72 Ca 0.06 -0.48 -0.09 0.00 0.02 0.00 0.00 57.03 56.53 1xjw h ASP 72 Cb 0.62 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1xjw h ASP 72 CO 0.04 1.27 -0.44 -0.61 -1.72 0.00 0.00 179.24 177.79 1xjw h GLN 73 N 0.29 0.00 0.00 3.56 4.15 -0.92 -2.22 115.11 119.96 1xjw h GLN 73 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1xjw h GLN 73 Cb 1.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.24 1xjw h GLN 73 CO 0.17 0.44 0.00 1.25 -1.93 0.00 0.00 178.83 178.75 1xjw h LEU 74 N 0.00 0.00 -1.34 -2.39 5.85 0.68 -2.97 115.31 115.14 1xjw h LEU 74 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1xjw h LEU 74 Cb 1.02 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1xjw h LEU 74 CO 0.06 0.00 -0.16 0.00 -0.34 0.00 0.00 178.44 177.99 1xjw h ALA 75 N 2.21 1.06 0.00 1.25 0.00 -0.72 -2.65 119.26 120.40 1xjw h ALA 75 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1xjw h ALA 75 Cb 0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xjw h ALA 75 CO 0.00 0.21 -0.34 -0.07 0.00 0.00 0.00 179.25 179.05 1xjw h LEU 76 N 0.00 0.00 -1.21 0.00 3.38 -1.65 -3.08 115.31 112.75 1xjw h LEU 76 Ca -0.00 -0.65 -0.05 0.00 0.09 0.00 0.00 57.88 57.27 1xjw h LEU 76 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1xjw h LEU 76 CO 0.02 1.02 -0.24 1.88 0.09 0.00 0.00 178.44 181.21 1xjw h TYR 77 N -1.00 0.00 -1.00 1.13 0.05 -1.67 -3.39 116.97 111.08 1xjw h TYR 77 Ca -0.08 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.47 1xjw h TYR 77 Cb 0.88 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 38.43 1xjw h TYR 77 CO 0.16 0.24 -0.56 0.00 -1.05 0.00 0.00 178.16 176.94 1xjw n ALA 78 N -2.25 -1.18 -0.13 3.88 0.00 -1.00 -4.93 120.51 114.90 1xjw n ALA 78 Ca -0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 53.44 52.02 1xjw n ALA 78 Cb 0.41 -1.37 0.04 0.00 0.00 0.00 0.00 19.45 18.53 1xjw n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xjw h PRO 79 N 4.87 0.25 -1.52 0.00 0.13 -1.70 -2.84 132.00 131.18 1xjw h PRO 79 Ca 0.05 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1xjw h PRO 79 Cb 1.07 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1xjw h PRO 79 CO 0.12 0.17 0.00 0.00 -0.23 0.00 0.00 178.00 178.05 1xjw n GLN 80 N -5.06 0.96 -3.45 0.86 0.00 -1.26 -4.60 117.38 104.84 1xjw n GLN 80 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 57.00 56.84 1xjw n GLN 80 Cb 0.18 -1.02 -0.01 0.00 0.00 0.00 0.00 30.24 29.39 1xjw n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xjw s ALA 81 N 0.05 4.20 -0.01 2.61 0.00 -1.07 -4.73 121.76 122.80 1xjw s ALA 81 Ca 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.37 1xjw s ALA 81 Cb 0.00 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.65 1xjw s ALA 81 CO 0.00 -0.10 -0.03 0.95 0.00 0.00 0.00 175.76 176.58 1xjw s THR 82 N -2.28 0.30 -0.30 0.00 -4.23 0.54 -4.23 115.64 105.43 1xjw s THR 82 Ca 0.47 -0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.84 1xjw s THR 82 Cb -0.08 -0.30 0.04 0.00 1.34 0.00 0.00 72.50 73.50 1xjw s THR 82 CO 0.30 0.12 0.03 0.68 -0.54 0.00 0.00 174.62 175.20 1xjw s VAL 83 N 0.28 3.26 -0.24 2.29 -7.23 -0.64 -0.30 120.40 117.82 1xjw s VAL 83 Ca -0.03 -1.23 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 1xjw s VAL 83 Cb -0.06 -2.83 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 1xjw s VAL 83 CO -0.00 -0.08 0.25 0.20 -0.31 0.00 0.00 175.10 175.16 1xjw s ASN 84 N 1.32 6.20 -0.47 4.85 0.01 -0.79 -1.41 114.94 124.65 1xjw s ASN 84 Ca -0.03 0.21 -0.24 0.00 -0.71 0.00 0.00 52.86 52.09 1xjw s ASN 84 Cb -0.19 -2.15 0.03 0.00 0.41 0.00 0.00 41.25 39.35 1xjw s ASN 84 CO -0.00 -0.02 0.84 -0.13 -1.51 0.00 0.00 177.10 176.28 1xjw s ARG 85 N 1.37 3.42 -0.33 -0.60 1.81 0.10 -1.53 118.95 123.20 1xjw s ARG 85 Ca 0.11 -0.09 -0.08 0.00 -1.72 0.00 0.00 55.73 53.95 1xjw s ARG 85 Cb -0.15 -3.96 0.02 0.00 -0.45 0.00 0.00 34.95 30.41 1xjw s ARG 85 CO 0.07 -1.21 0.13 0.42 -0.68 0.00 0.00 175.30 174.02 1xjw s ILE 86 N 3.51 4.16 -0.15 1.52 1.09 0.23 -1.44 121.20 130.12 1xjw s ILE 86 Ca 0.31 -0.81 0.01 0.00 -1.10 0.00 0.00 60.65 59.07 1xjw s ILE 86 Cb -0.12 -3.24 -0.00 0.00 -1.06 0.00 0.00 42.46 38.04 1xjw s ILE 86 CO 0.23 -0.06 -0.17 -0.62 -0.10 0.00 0.00 174.94 174.22 1xjw s ASP 87 N 1.50 3.56 -0.86 3.58 -1.08 0.66 0.30 116.67 124.34 1xjw s ASP 87 Ca 0.02 -0.49 -0.03 0.00 -0.52 0.00 0.00 52.55 51.53 1xjw s ASP 87 Cb -0.18 -1.54 -0.02 0.00 -1.46 0.00 0.00 42.92 39.72 1xjw s ASP 87 CO 0.04 0.10 0.75 -3.20 0.52 0.00 0.00 175.17 173.37 1xjw n ASN 88 N 3.98 -6.99 -2.33 -0.34 4.05 -0.70 -2.40 115.26 110.53 1xjw n ASN 88 Ca -0.19 -0.40 -0.01 0.00 0.45 0.00 0.00 54.58 54.43 1xjw n ASN 88 Cb 0.52 -4.70 -0.00 0.00 1.23 0.00 0.00 39.78 36.83 1xjw n ASN 88 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1xjw n TYR 89 N -2.42 -1.84 -3.82 1.20 4.02 0.32 -4.88 117.16 109.73 1xjw n TYR 89 Ca -0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.71 1xjw n TYR 89 Cb 0.56 -1.13 -0.12 0.00 -0.02 0.00 0.00 39.34 38.62 1xjw n TYR 89 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1xjw s GLU 90 N -4.67 0.19 -1.09 -0.72 -6.30 -1.01 -4.69 118.70 100.41 1xjw s GLU 90 Ca 0.00 0.20 -0.23 0.00 -2.50 0.00 0.00 54.97 52.45 1xjw s GLU 90 Cb 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 34.13 34.18 1xjw s GLU 90 CO 0.00 -0.02 1.87 0.08 0.02 0.00 0.00 175.26 177.21 1xjw s VAL 91 N 0.05 3.61 -0.24 3.70 1.01 -1.26 -0.25 120.40 127.02 1xjw s VAL 91 Ca -0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1xjw s VAL 91 Cb -0.01 -4.49 0.12 0.00 0.00 0.00 0.00 36.38 31.99 1xjw s VAL 91 CO 0.00 -1.17 2.20 1.33 0.00 0.00 0.00 175.10 177.46 1xjw n VAL 92 N 7.59 2.68 0.00 2.92 0.24 -0.52 -4.74 118.33 126.50 1xjw n VAL 92 Ca 0.43 -1.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.20 1xjw n VAL 92 Cb 0.47 -1.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.39 1xjw n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xjw n GLY 93 N 0.81 3.32 3.24 7.63 0.00 -1.22 -4.89 105.19 114.08 1xjw n GLY 93 Ca 0.26 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1xjw n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xjw s LYS 94 N -2.04 2.12 0.13 1.61 2.36 -1.26 0.01 119.74 122.67 1xjw s LYS 94 Ca 0.00 -0.82 0.01 0.00 -2.55 0.00 0.00 55.97 52.62 1xjw s LYS 94 Cb 0.00 -1.90 -0.04 0.00 -1.05 0.00 0.00 37.83 34.84 1xjw s LYS 94 CO 0.00 0.40 -0.03 -1.12 1.55 0.00 0.00 175.35 176.16 1xjw s SER 95 N -0.28 1.08 -0.05 1.43 0.01 -0.50 -5.01 113.70 110.38 1xjw s SER 95 Ca 0.02 -1.09 0.03 0.00 1.31 0.00 0.00 55.95 56.21 1xjw s SER 95 Cb -0.11 0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.25 1xjw s SER 95 CO 0.01 -0.53 -0.12 -0.60 0.41 0.00 0.00 173.24 172.41 1xjw s ARG 96 N -3.89 1.53 0.29 12.44 6.06 -1.26 -1.63 118.95 132.49 1xjw s ARG 96 Ca 0.18 -0.41 -0.30 0.00 -2.50 0.00 0.00 55.73 52.70 1xjw s ARG 96 Cb 0.06 -1.30 -0.12 0.00 0.06 0.00 0.00 34.95 33.65 1xjw s ARG 96 CO -0.01 0.07 1.62 -0.35 -2.50 0.00 0.00 175.30 174.13 1xjw n PRO 97 N 3.63 2.74 -5.08 5.12 -0.04 -1.26 -5.00 135.00 135.10 1xjw n PRO 97 Ca -0.21 0.98 -0.32 0.00 -0.04 0.00 0.00 63.50 63.90 1xjw n PRO 97 Cb 0.52 -2.77 -0.16 0.00 -0.04 0.00 0.00 33.50 31.05 1xjw n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xjw s SER 98 N 0.57 3.40 0.06 3.54 0.15 -1.26 -4.89 113.70 115.26 1xjw s SER 98 Ca 0.65 -0.47 -0.31 0.00 0.70 0.00 0.00 55.95 56.52 1xjw s SER 98 Cb -0.49 -1.38 -0.10 0.00 -1.71 0.00 0.00 66.02 62.34 1xjw s SER 98 CO 0.47 0.18 1.91 0.18 1.20 0.00 0.00 173.24 177.18 1xjw n LEU 99 N 3.40 4.03 -4.89 3.45 4.77 -1.26 -4.55 117.00 121.96 1xjw n LEU 99 Ca -0.18 0.94 -0.29 0.00 -0.03 0.00 0.00 56.01 56.45 1xjw n LEU 99 Cb 0.53 -1.52 0.12 0.00 -2.33 0.00 0.00 43.42 40.22 1xjw n LEU 99 CO 0.28 0.16 0.79 -2.16 -1.33 0.00 0.00 177.39 175.14 1xjw s PRO 100 N 3.70 1.56 0.01 3.23 0.04 -1.26 -5.00 135.00 137.28 1xjw s PRO 100 Ca 0.87 0.04 -0.25 0.00 0.04 0.00 0.00 61.00 61.69 1xjw s PRO 100 Cb -0.48 -1.91 -0.16 0.00 0.04 0.00 0.00 34.50 31.98 1xjw s PRO 100 CO 0.41 -1.86 1.22 0.93 0.04 0.00 0.00 177.00 177.74 1xjw h GLU 101 N -1.25 -0.45 -5.21 4.56 3.07 -1.93 -3.41 114.58 109.96 1xjw h GLU 101 Ca -0.46 0.03 -0.38 0.00 -0.50 0.00 0.00 59.36 58.05 1xjw h GLU 101 Cb 1.31 0.10 -0.19 0.00 -0.84 0.00 0.00 28.75 29.13 1xjw h GLU 101 CO 0.60 -0.14 -0.75 -0.98 -1.40 0.00 0.00 179.01 176.33 1xjw s ARG 102 N -4.67 0.88 -0.14 2.33 1.70 -1.26 0.27 118.95 118.06 1xjw s ARG 102 Ca -0.14 -1.11 0.02 0.00 -0.47 0.00 0.00 55.73 54.03 1xjw s ARG 102 Cb 0.02 -0.73 0.00 0.00 -0.57 0.00 0.00 34.95 33.67 1xjw s ARG 102 CO 0.53 0.14 -0.20 -1.50 -1.08 0.00 0.00 175.30 173.19 1xjw s ILE 103 N -1.95 2.31 -0.04 4.99 1.10 0.02 -4.90 121.20 122.73 1xjw s ILE 103 Ca 0.04 -0.90 0.02 0.00 -0.51 0.00 0.00 60.65 59.29 1xjw s ILE 103 Cb -0.06 -1.94 -0.03 0.00 0.15 0.00 0.00 42.46 40.58 1xjw s ILE 103 CO 0.02 0.54 -0.06 -1.81 -2.11 0.00 0.00 174.94 171.52 1xjw s ASP 104 N 0.73 4.71 0.00 4.50 1.11 -1.26 -1.50 116.67 124.96 1xjw s ASP 104 Ca -0.08 -0.05 0.00 0.00 0.18 0.00 0.00 52.55 52.59 1xjw s ASP 104 Cb -0.16 -1.17 0.00 0.00 1.07 0.00 0.00 42.92 42.66 1xjw s ASP 104 CO 0.01 0.33 0.00 0.59 1.18 0.00 0.00 175.17 177.27 1xjw n ASN 105 N 1.91 0.00 -0.09 0.27 4.13 -0.44 -4.73 115.26 116.30 1xjw n ASN 105 Ca -0.17 0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.20 1xjw n ASN 105 Cb 0.53 0.00 0.47 0.00 -1.54 0.00 0.00 39.78 39.24 1xjw n ASN 105 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 1xjw h VAL 106 N 0.00 0.93 -3.43 2.41 -1.51 -1.89 -3.42 116.25 109.34 1xjw h VAL 106 Ca 0.00 -0.16 -0.53 0.00 -1.23 0.00 0.00 66.70 64.77 1xjw h VAL 106 Cb 0.00 0.41 -0.03 0.00 -2.13 0.00 0.00 31.29 29.54 1xjw h VAL 106 CO 0.00 0.09 -0.11 -0.76 -1.23 0.00 0.00 177.57 175.56 1xjw s LEU 107 N -9.42 4.15 -0.15 4.19 1.43 -1.26 -5.05 118.68 112.57 1xjw s LEU 107 Ca -0.08 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 53.94 1xjw s LEU 107 Cb 0.19 -3.69 -0.00 0.00 0.03 0.00 0.00 46.19 42.73 1xjw s LEU 107 CO 0.75 -0.09 -0.17 -0.69 0.23 0.00 0.00 176.35 176.38 1xjw s VAL 108 N -1.85 2.56 0.00 -1.59 1.01 -1.26 -4.70 120.40 114.57 1xjw s VAL 108 Ca 0.47 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 1xjw s VAL 108 Cb -0.11 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.12 1xjw s VAL 108 CO 0.22 0.52 1.86 0.00 0.00 0.00 0.00 175.10 177.71 1xjw h PRO 110 N 10.31 0.00 -6.31 0.00 0.13 -1.93 -3.41 132.00 130.80 1xjw h PRO 110 Ca -0.46 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.11 1xjw h PRO 110 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1xjw h PRO 110 CO 0.95 0.02 1.03 1.21 -0.23 0.00 0.00 178.00 180.98 1xjw s ASN 111 N -5.84 6.57 0.24 1.44 2.47 -1.26 -4.88 114.94 113.67 1xjw s ASN 111 Ca -0.04 1.43 -0.04 0.00 0.42 0.00 0.00 52.86 54.63 1xjw s ASN 111 Cb 0.14 -2.54 0.26 0.00 -1.45 0.00 0.00 41.25 37.66 1xjw s ASN 111 CO 0.51 -1.13 1.74 0.77 -3.72 0.00 0.00 177.10 175.27 1xjw h SER 112 N 9.83 0.87 0.00 -4.21 4.64 -2.03 -2.72 113.55 119.94 1xjw h SER 112 Ca -0.30 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1xjw h SER 112 Cb 1.12 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1xjw h SER 112 CO 1.01 0.90 0.00 -3.20 -0.87 0.00 0.00 176.83 174.68 1xjw n ASN 113 N -4.22 0.03 -4.72 4.97 5.15 -1.26 -4.82 115.26 110.39 1xjw n ASN 113 Ca 0.03 -1.95 -0.41 0.00 -0.60 0.00 0.00 54.58 51.65 1xjw n ASN 113 Cb 0.29 -0.02 -0.04 0.00 -0.53 0.00 0.00 39.78 39.49 1xjw n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xjw h ILE 115 N 4.23 0.31 -0.12 0.00 -0.00 -1.90 -2.92 117.51 117.12 1xjw h ILE 115 Ca -0.43 -0.10 0.03 0.00 -0.00 0.00 0.00 64.86 64.37 1xjw h ILE 115 Cb 1.21 1.07 -0.00 0.00 -0.00 0.00 0.00 36.82 39.10 1xjw h ILE 115 CO 0.75 0.02 0.27 0.77 -0.00 0.00 0.00 178.15 179.96 1xjw h SER 116 N 0.00 0.00 0.21 2.19 4.64 -1.91 -2.76 113.55 115.92 1xjw h SER 116 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1xjw h SER 116 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1xjw h SER 116 CO 0.00 0.00 -0.10 0.45 -0.87 0.00 0.00 176.83 176.31 1xjw h HIS 117 N 0.00 -0.26 -0.42 4.77 3.86 -1.86 -3.38 115.15 117.86 1xjw h HIS 117 Ca 0.06 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1xjw h HIS 117 Cb 0.59 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.12 1xjw h HIS 117 CO 0.00 -0.16 0.20 0.00 0.86 0.00 0.00 177.93 178.83 1xjw h ALA 118 N -1.20 1.56 -2.25 2.45 0.00 -1.74 -3.45 119.26 114.63 1xjw h ALA 118 Ca -0.03 -0.09 -0.48 0.00 0.00 0.00 0.00 54.91 54.31 1xjw h ALA 118 Cb 0.21 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xjw h ALA 118 CO 0.05 0.36 -0.20 -1.21 0.00 0.00 0.00 179.25 178.25 1xjw s GLU 119 N -5.34 3.49 -1.32 0.00 0.41 -1.06 -5.01 118.70 109.86 1xjw s GLU 119 Ca -0.08 -0.33 -0.16 0.00 -0.41 0.00 0.00 54.97 53.99 1xjw s GLU 119 Cb 0.17 -2.67 0.09 0.00 -1.78 0.00 0.00 34.13 29.93 1xjw s GLU 119 CO 0.75 0.16 1.82 -0.35 -0.49 0.00 0.00 175.26 177.15 1xjw n PRO 120 N -1.71 3.18 -3.90 0.39 -0.04 -1.26 -4.88 135.00 126.77 1xjw n PRO 120 Ca -0.05 -3.23 -0.10 0.00 -0.04 0.00 0.00 63.50 60.08 1xjw n PRO 120 Cb 0.56 -3.33 -0.10 0.00 -0.04 0.00 0.00 33.50 30.60 1xjw n PRO 120 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xjw s VAL 121 N 3.22 0.10 0.19 0.52 -7.23 -1.26 -5.15 120.40 110.80 1xjw s VAL 121 Ca 0.49 -0.84 -0.30 0.00 -1.81 0.00 0.00 61.98 59.52 1xjw s VAL 121 Cb 0.06 -0.56 -0.08 0.00 0.56 0.00 0.00 36.38 36.36 1xjw s VAL 121 CO 0.02 -0.46 0.96 -0.44 -0.31 0.00 0.00 175.10 174.86 1xjw s SER 122 N -1.63 7.57 0.95 4.85 0.01 -1.26 -4.98 113.70 119.21 1xjw s SER 122 Ca -0.12 1.91 -0.13 0.00 1.31 0.00 0.00 55.95 58.92 1xjw s SER 122 Cb -0.06 -2.60 0.16 0.00 0.21 0.00 0.00 66.02 63.73 1xjw s SER 122 CO -0.01 0.06 1.13 -0.94 0.41 0.00 0.00 173.24 173.89 1xjw s SER 123 N -0.72 3.12 -0.29 2.44 1.04 -1.26 -4.82 113.70 113.20 1xjw s SER 123 Ca 0.43 0.97 -0.19 0.00 0.48 0.00 0.00 55.95 57.64 1xjw s SER 123 Cb -0.25 -1.54 0.18 0.00 0.10 0.00 0.00 66.02 64.51 1xjw s SER 123 CO 0.32 -2.80 1.21 -0.94 0.98 0.00 0.00 173.24 172.01 1xjw s SER 124 N -3.91 -0.21 0.10 7.02 1.04 -1.26 -1.33 113.70 115.15 1xjw s SER 124 Ca 0.65 0.36 0.08 0.00 0.48 0.00 0.00 55.95 57.53 1xjw s SER 124 Cb -0.15 0.83 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 1xjw s SER 124 CO 0.54 -0.06 -0.21 -0.36 0.98 0.00 0.00 173.24 174.13 1xjw s PHE 125 N 0.77 1.81 -0.27 5.02 0.40 -0.56 -1.44 117.98 123.72 1xjw s PHE 125 Ca -0.03 -0.41 -0.16 0.00 -0.60 0.00 0.00 56.93 55.72 1xjw s PHE 125 Cb -0.04 -1.00 -0.03 0.00 0.51 0.00 0.00 43.02 42.46 1xjw s PHE 125 CO -0.12 0.20 0.44 0.00 0.70 0.00 0.00 175.22 176.44 1xjw s ALA 126 N -1.14 3.57 0.32 5.36 0.00 0.02 -0.80 121.76 129.09 1xjw s ALA 126 Ca 0.07 -0.73 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 1xjw s ALA 126 Cb -0.10 -2.79 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 1xjw s ALA 126 CO 0.04 -0.71 0.84 0.08 0.00 0.00 0.00 175.76 176.01 1xjw s VAL 127 N 2.18 4.46 -0.30 0.00 1.01 0.76 -1.62 120.40 126.89 1xjw s VAL 127 Ca 0.18 1.40 -0.05 0.00 0.00 0.00 0.00 61.98 63.51 1xjw s VAL 127 Cb -0.16 -3.79 0.17 0.00 0.00 0.00 0.00 36.38 32.60 1xjw s VAL 127 CO 0.10 -0.01 0.65 -0.60 0.00 0.00 0.00 175.10 175.23 1xjw s ARG 128 N -2.48 0.55 0.16 2.72 3.52 -0.51 -4.78 118.95 118.13 1xjw s ARG 128 Ca 0.51 1.13 -0.31 0.00 -0.13 0.00 0.00 55.73 56.93 1xjw s ARG 128 Cb -0.14 0.66 -0.11 0.00 -1.56 0.00 0.00 34.95 33.80 1xjw s ARG 128 CO 0.19 -0.44 1.69 0.21 -0.81 0.00 0.00 175.30 176.14 1xjw s LYS 129 N 2.86 4.17 -0.04 5.12 2.20 -1.26 -0.90 119.74 131.89 1xjw s LYS 129 Ca 0.10 2.49 -0.06 0.00 -0.36 0.00 0.00 55.97 58.14 1xjw s LYS 129 Cb -0.13 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 1xjw s LYS 129 CO -0.20 -0.72 -0.12 -2.13 -0.36 0.00 0.00 175.35 171.82 1xjw n ARG 130 N 4.54 0.19 0.00 4.03 0.63 -1.09 -4.89 116.66 120.07 1xjw n ARG 130 Ca 0.16 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1xjw n ARG 130 Cb 0.38 -0.75 0.00 0.00 0.45 0.00 0.00 32.46 32.54 1xjw n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1xjw n ALA 131 N -3.39 0.00 0.00 5.13 0.00 -1.26 -4.97 120.51 116.02 1xjw n ALA 131 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1xjw n ALA 131 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1xjw n ALA 131 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1xjw n ASN 132 N 0.00 0.00 -4.87 0.00 0.23 -1.26 -5.13 115.26 104.23 1xjw n ASN 132 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 53.79 1xjw n ASN 132 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 1xjw n ASN 132 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 1xjw s ASP 133 N 0.00 5.90 -0.01 0.53 -4.77 -1.26 -5.09 116.67 111.96 1xjw s ASP 133 Ca 0.00 0.00 -0.19 0.00 -3.30 0.00 0.00 52.55 49.06 1xjw s ASP 133 Cb 0.00 -1.66 -0.05 0.00 -1.09 0.00 0.00 42.92 40.12 1xjw s ASP 133 CO 0.00 0.05 0.55 -0.63 0.70 0.00 0.00 175.17 175.85 1xjw s ILE 134 N -1.77 4.95 -0.18 2.11 -1.09 -1.26 -2.65 121.20 121.30 1xjw s ILE 134 Ca 0.33 1.15 -0.10 0.00 -2.23 0.00 0.00 60.65 59.80 1xjw s ILE 134 Cb -0.10 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 1xjw s ILE 134 CO 0.26 0.43 0.15 0.00 -1.23 0.00 0.00 174.94 174.55 1xjw s ALA 135 N -0.24 3.70 -0.16 9.38 0.00 -0.08 -1.04 121.76 133.32 1xjw s ALA 135 Ca 0.29 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1xjw s ALA 135 Cb -0.18 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1xjw s ALA 135 CO 0.16 0.21 -0.16 -0.51 0.00 0.00 0.00 175.76 175.46 1xjw s LEU 136 N 0.20 2.42 -0.18 0.00 1.43 -0.07 -1.42 118.68 121.06 1xjw s LEU 136 Ca 0.10 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 1xjw s LEU 136 Cb -0.11 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1xjw s LEU 136 CO -0.00 0.06 0.01 -0.75 0.23 0.00 0.00 176.35 175.90 1xjw s LYS 137 N 0.94 3.75 0.06 1.70 2.20 -0.64 -0.25 119.74 127.51 1xjw s LYS 137 Ca -0.03 -0.46 -0.31 0.00 -0.36 0.00 0.00 55.97 54.81 1xjw s LYS 137 Cb -0.15 -3.08 -0.07 0.00 -1.51 0.00 0.00 37.83 33.02 1xjw s LYS 137 CO -0.02 0.16 1.36 0.00 -0.36 0.00 0.00 175.35 176.49 1xjw h LYS 139 N 7.18 0.00 0.00 0.00 3.64 -1.60 -1.97 116.57 123.82 1xjw h LYS 139 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1xjw h LYS 139 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1xjw h LYS 139 CO 0.87 0.00 -0.00 1.88 -2.27 0.00 0.00 179.45 179.93 1xjw h TYR 140 N 0.00 0.00 0.00 1.91 0.05 -1.90 -3.40 116.97 113.63 1xjw h TYR 140 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1xjw h TYR 140 Cb 0.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.22 1xjw h TYR 140 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 1xjw n GLU 142 N -1.23 -1.62 -2.69 0.00 1.02 -0.74 -4.96 120.64 110.41 1xjw n GLU 142 Ca 0.12 0.41 -0.33 0.00 -0.02 0.00 0.00 57.16 57.34 1xjw n GLU 142 Cb 0.16 -4.85 -0.06 0.00 -0.02 0.00 0.00 31.44 26.68 1xjw n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1xjw s LYS 143 N -1.78 4.10 -0.10 3.49 1.02 -1.26 -4.70 119.74 120.52 1xjw s LYS 143 Ca 0.00 1.01 0.01 0.00 0.02 0.00 0.00 55.97 57.01 1xjw s LYS 143 Cb 0.00 -2.19 -0.02 0.00 -0.52 0.00 0.00 37.83 35.10 1xjw s LYS 143 CO 0.00 -0.10 -0.13 -2.00 -0.92 0.00 0.00 175.35 172.19 1xjw s GLU 144 N -3.51 3.02 0.30 1.68 2.12 -1.26 -1.11 118.70 119.94 1xjw s GLU 144 Ca 0.60 -0.68 0.06 0.00 0.36 0.00 0.00 54.97 55.31 1xjw s GLU 144 Cb -0.09 -2.54 -0.06 0.00 0.26 0.00 0.00 34.13 31.70 1xjw s GLU 144 CO 0.21 0.40 -0.03 -0.06 -0.54 0.00 0.00 175.26 175.23 1xjw s PHE 145 N -0.12 2.01 -0.11 5.30 0.08 0.66 -4.93 117.98 120.86 1xjw s PHE 145 Ca -0.01 -0.74 -0.22 0.00 0.12 0.00 0.00 56.93 56.08 1xjw s PHE 145 Cb -0.14 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.08 1xjw s PHE 145 CO 0.03 0.25 0.66 0.45 -0.10 0.00 0.00 175.22 176.51 1xjw s SER 146 N -3.48 6.87 0.65 1.36 0.15 -1.26 -0.89 113.70 117.10 1xjw s SER 146 Ca 0.31 1.05 0.21 0.00 0.70 0.00 0.00 55.95 58.22 1xjw s SER 146 Cb 0.05 -2.38 1.09 0.00 -1.71 0.00 0.00 66.02 63.07 1xjw s SER 146 CO 0.13 -0.16 1.61 1.12 1.20 0.00 0.00 173.24 177.14 1xjw h HIS 147 N 6.96 0.00 0.21 3.44 2.07 -1.46 0.47 115.15 126.85 1xjw h HIS 147 Ca -0.38 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.13 1xjw h HIS 147 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 1xjw h HIS 147 CO 0.66 0.00 -0.10 -0.97 -3.07 0.00 0.00 177.93 174.45 1xjw h ASN 148 N 0.00 -0.24 -0.30 3.10 -1.24 -1.91 -0.54 115.58 114.45 1xjw h ASN 148 Ca 0.06 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 56.93 1xjw h ASN 148 Cb 1.26 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.36 1xjw h ASN 148 CO -0.00 -0.03 0.09 0.58 -1.29 0.00 0.00 177.43 176.78 1xjw h VAL 149 N -0.44 1.20 -0.74 2.57 2.07 -0.47 -3.10 116.25 117.34 1xjw h VAL 149 Ca -0.03 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1xjw h VAL 149 Cb 0.34 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1xjw h VAL 149 CO 0.05 0.22 0.48 0.58 0.02 0.00 0.00 177.57 178.92 1xjw h VAL 150 N 0.32 1.19 0.00 2.57 2.07 -1.35 -3.15 116.25 117.91 1xjw h VAL 150 Ca 0.10 -0.37 -0.45 0.00 0.82 0.00 0.00 66.70 66.80 1xjw h VAL 150 Cb 0.24 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1xjw h VAL 150 CO -0.00 0.19 2.55 0.18 0.02 0.00 0.00 177.57 180.50 1xjw n LEU 151 N -4.42 6.41 -2.70 2.57 4.77 -0.22 -3.23 117.00 120.19 1xjw n LEU 151 Ca 0.08 -3.47 -0.06 0.00 -0.03 0.00 0.00 56.01 52.53 1xjw n LEU 151 Cb 0.04 -1.30 0.09 0.00 -2.33 0.00 0.00 43.42 39.92 1xjw n LEU 151 CO 0.36 1.37 0.32 0.00 -1.33 0.00 0.00 177.39 178.12 1xjw n ALA 152 N 3.60 2.19 1.76 -1.18 0.00 -1.19 -5.00 120.51 120.69 1xjw n ALA 152 Ca 0.57 -1.86 0.15 0.00 0.00 0.00 0.00 53.44 52.30 1xjw n ALA 152 Cb 0.30 -0.95 0.75 0.00 0.00 0.00 0.00 19.45 19.55 1xjw n ALA 152 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59