#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3u s ARG 6 N 0.00 1.03 -0.13 7.34 3.52 -0.56 -4.41 118.95 125.73 1j3u s ARG 6 Ca 0.00 0.10 0.03 0.00 -0.13 0.00 0.00 55.73 55.73 1j3u s ARG 6 Cb 0.00 0.48 0.01 0.00 -1.56 0.00 0.00 34.95 33.88 1j3u s ARG 6 CO 0.00 -0.35 -0.22 -1.50 -0.81 0.00 0.00 175.30 172.42 1j3u s ILE 7 N -1.69 2.12 -0.14 4.11 1.10 -1.26 -0.91 121.20 124.52 1j3u s ILE 7 Ca -0.07 -0.97 0.01 0.00 -0.51 0.00 0.00 60.65 59.11 1j3u s ILE 7 Cb -0.00 -1.84 0.02 0.00 0.15 0.00 0.00 42.46 40.79 1j3u s ILE 7 CO 0.04 0.55 -0.15 -1.61 -2.11 0.00 0.00 174.94 171.66 1j3u s GLU 8 N 0.73 2.40 0.33 3.50 2.02 -0.66 -4.95 118.70 122.07 1j3u s GLU 8 Ca -0.09 -0.60 -0.27 0.00 0.02 0.00 0.00 54.97 54.03 1j3u s GLU 8 Cb -0.16 -2.14 -0.09 0.00 0.10 0.00 0.00 34.13 31.84 1j3u s GLU 8 CO 0.00 -0.19 1.00 -1.59 0.02 0.00 0.00 175.26 174.51 1j3u s LYS 9 N 1.34 4.51 0.04 1.61 0.00 -1.26 -1.97 119.74 124.01 1j3u s LYS 9 Ca 0.02 1.50 0.02 0.00 0.00 0.00 0.00 55.97 57.51 1j3u s LYS 9 Cb -0.13 -2.86 -0.03 0.00 0.00 0.00 0.00 37.83 34.81 1j3u s LYS 9 CO -0.09 0.17 -0.07 0.34 0.00 0.00 0.00 175.35 175.70 1j3u s ASP 10 N -1.40 0.85 0.00 0.03 3.68 0.77 -4.95 116.67 115.64 1j3u s ASP 10 Ca 0.50 -0.58 0.00 0.00 2.13 0.00 0.00 52.55 54.60 1j3u s ASP 10 Cb -0.23 0.04 0.00 0.00 -1.45 0.00 0.00 42.92 41.28 1j3u s ASP 10 CO 0.29 -0.23 0.79 2.22 0.13 0.00 0.00 175.17 178.38 1j3u n PHE 11 N 1.37 0.00 0.74 -5.34 1.16 -1.26 0.14 117.46 114.27 1j3u n PHE 11 Ca -0.22 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.45 1j3u n PHE 11 Cb 0.55 -0.31 -0.11 0.00 -1.61 0.00 0.00 39.48 38.00 1j3u n PHE 11 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1j3u n LEU 12 N -1.29 0.74 0.00 5.98 4.77 -1.26 -5.09 117.00 120.85 1j3u n LEU 12 Ca 0.00 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1j3u n LEU 12 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1j3u n LEU 12 CO 0.00 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1j3u n GLY 13 N 1.43 0.87 3.68 -0.72 0.00 0.38 -5.07 105.19 105.77 1j3u n GLY 13 Ca 0.02 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 1j3u n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3u s GLU 14 N -1.25 4.28 -0.08 1.61 2.02 -1.26 -0.17 118.70 123.85 1j3u s GLU 14 Ca 0.00 0.61 0.04 0.00 0.02 0.00 0.00 54.97 55.63 1j3u s GLU 14 Cb 0.00 -3.52 -0.02 0.00 0.10 0.00 0.00 34.13 30.69 1j3u s GLU 14 CO 0.00 -0.09 -0.19 -1.59 0.02 0.00 0.00 175.26 173.41 1j3u s LYS 15 N 1.42 2.80 -0.61 1.61 0.00 -0.83 -4.98 119.74 119.15 1j3u s LYS 15 Ca 0.29 -0.79 -0.22 0.00 0.00 0.00 0.00 55.97 55.25 1j3u s LYS 15 Cb -0.16 -2.36 0.06 0.00 0.00 0.00 0.00 37.83 35.38 1j3u s LYS 15 CO 0.12 0.39 0.90 -1.21 0.00 0.00 0.00 175.35 175.54 1j3u s GLU 16 N -0.14 3.16 0.10 1.78 2.02 -1.26 -1.65 118.70 122.71 1j3u s GLU 16 Ca -0.03 -0.73 -0.28 0.00 0.02 0.00 0.00 54.97 53.95 1j3u s GLU 16 Cb -0.14 -4.17 -0.06 0.00 0.10 0.00 0.00 34.13 29.86 1j3u s GLU 16 CO 0.04 -1.64 0.87 0.42 0.02 0.00 0.00 175.26 174.97 1j3u s ILE 17 N 3.76 4.56 0.49 -1.63 -1.09 -0.09 -4.82 121.20 122.38 1j3u s ILE 17 Ca 0.23 1.88 -0.23 0.00 -2.23 0.00 0.00 60.65 60.30 1j3u s ILE 17 Cb -0.17 -4.23 -0.08 0.00 -1.58 0.00 0.00 42.46 36.40 1j3u s ILE 17 CO 0.12 0.36 1.17 -2.65 -1.23 0.00 0.00 174.94 172.71 1j3u n PRO 18 N 2.65 1.53 -0.08 2.79 -0.02 -1.26 -1.50 135.00 139.10 1j3u n PRO 18 Ca -0.00 0.56 -0.08 0.00 -2.02 0.00 0.00 63.50 61.95 1j3u n PRO 18 Cb 0.49 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1j3u n PRO 18 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1j3u h LYS 19 N 1.47 0.35 0.00 -0.52 -0.00 -1.94 -2.02 116.57 113.91 1j3u h LYS 19 Ca -0.48 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.15 1j3u h LYS 19 Cb 1.32 -0.08 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 1j3u h LYS 19 CO 0.57 0.23 0.00 -0.25 -0.00 0.00 0.00 179.45 179.99 1j3u n ASP 20 N -4.92 0.00 -4.77 7.07 8.00 -1.26 -4.86 116.55 115.81 1j3u n ASP 20 Ca -0.01 -0.70 -0.39 0.00 0.71 0.00 0.00 54.79 54.40 1j3u n ASP 20 Cb 0.05 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1j3u n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j3u s ALA 21 N -2.11 3.39 -2.25 2.24 0.00 -0.76 -4.98 121.76 117.30 1j3u s ALA 21 Ca 0.38 0.45 0.19 0.00 0.00 0.00 0.00 51.96 52.97 1j3u s ALA 21 Cb 0.18 -3.05 0.21 0.00 0.00 0.00 0.00 23.12 20.46 1j3u s ALA 21 CO 0.33 0.26 1.16 0.66 0.00 0.00 0.00 175.76 178.16 1j3u n TYR 22 N 1.43 0.13 -3.03 0.00 4.02 -1.26 -4.90 117.16 113.55 1j3u n TYR 22 Ca -0.04 -0.08 -0.18 0.00 -0.01 0.00 0.00 57.90 57.60 1j3u n TYR 22 Cb 0.48 -0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.86 1j3u n TYR 22 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 1j3u n TYR 23 N 1.10 -2.37 -3.55 -0.72 4.11 -1.26 -2.35 117.16 112.12 1j3u n TYR 23 Ca 0.12 -1.93 0.00 0.00 -0.00 0.00 0.00 57.90 56.10 1j3u n TYR 23 Cb 0.49 -0.51 0.00 0.00 -0.00 0.00 0.00 39.34 39.32 1j3u n TYR 23 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1j3u n GLY 24 N -1.47 4.07 0.30 -7.48 0.00 -1.26 -4.91 105.19 94.44 1j3u n GLY 24 Ca 0.15 -1.49 0.11 0.00 0.00 0.00 0.00 46.02 44.79 1j3u n GLY 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1j3u h VAL 25 N 0.70 0.30 -0.10 1.61 -1.51 -1.93 -0.68 116.25 114.63 1j3u h VAL 25 Ca 0.00 -0.06 0.04 0.00 -1.23 0.00 0.00 66.70 65.45 1j3u h VAL 25 Cb 0.00 0.12 -0.06 0.00 -2.13 0.00 0.00 31.29 29.22 1j3u h VAL 25 CO 0.00 0.03 -0.41 1.56 -1.23 0.00 0.00 177.57 177.52 1j3u h GLN 26 N 0.17 -0.48 -0.49 5.19 1.08 -1.96 0.20 115.11 118.82 1j3u h GLN 26 Ca 0.52 0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.78 1j3u h GLN 26 Cb 1.01 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.52 1j3u h GLN 26 CO -0.68 -0.32 0.28 1.15 -0.95 0.00 0.00 178.83 178.31 1j3u h THR 27 N -0.50 1.03 0.17 -0.54 2.02 -1.50 -2.26 112.91 111.34 1j3u h THR 27 Ca 0.07 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1j3u h THR 27 Cb 0.62 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1j3u h THR 27 CO -0.38 0.10 -0.15 0.40 0.37 0.00 0.00 175.52 175.87 1j3u h ILE 28 N 0.56 0.68 -0.89 3.11 1.08 -0.63 -1.70 117.51 119.73 1j3u h ILE 28 Ca 0.20 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.83 1j3u h ILE 28 Cb 0.04 0.68 -0.07 0.00 -3.07 0.00 0.00 36.82 34.40 1j3u h ILE 28 CO -0.10 0.00 0.58 0.03 -0.69 0.00 0.00 178.15 177.97 1j3u h ARG 29 N -0.33 0.57 -0.40 2.37 -0.00 -0.47 0.21 114.38 116.34 1j3u h ARG 29 Ca -0.00 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.98 59.34 1j3u h ARG 29 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 29.97 30.13 1j3u h ARG 29 CO -0.02 0.38 -0.16 0.00 0.00 0.00 0.00 179.97 180.17 1j3u h ALA 30 N 1.61 0.98 -0.20 0.04 0.00 -0.81 0.11 119.26 120.99 1j3u h ALA 30 Ca 0.46 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1j3u h ALA 30 Cb 0.87 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1j3u h ALA 30 CO -0.20 0.60 -0.20 1.15 0.00 0.00 0.00 179.25 180.60 1j3u h THR 31 N 0.66 1.23 -0.00 0.00 2.02 0.25 -0.39 112.91 116.69 1j3u h THR 31 Ca 0.11 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 1j3u h THR 31 Cb 0.63 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1j3u h THR 31 CO 0.04 0.33 -0.02 -0.33 0.37 0.00 0.00 175.52 175.91 1j3u h GLU 32 N 0.31 0.02 -0.78 6.66 5.08 -0.60 -3.28 114.58 121.99 1j3u h GLU 32 Ca 0.05 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1j3u h GLU 32 Cb 0.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1j3u h GLU 32 CO 0.04 0.73 0.33 -0.91 -1.00 0.00 0.00 179.01 178.19 1j3u h ASN 33 N -0.67 1.05 -2.20 1.42 2.35 -0.71 -3.37 115.58 113.46 1j3u h ASN 33 Ca -0.00 -0.16 -0.60 0.00 -0.55 0.00 0.00 56.30 54.99 1j3u h ASN 33 Cb 0.73 -0.27 -0.42 0.00 0.05 0.00 0.00 38.32 38.41 1j3u h ASN 33 CO 0.01 0.93 -0.60 0.49 -1.65 0.00 0.00 177.43 176.60 1j3u n PHE 34 N -4.32 3.63 -1.88 1.19 3.01 -0.16 -4.92 117.46 114.01 1j3u n PHE 34 Ca 0.07 -4.14 -0.36 0.00 1.01 0.00 0.00 57.45 54.03 1j3u n PHE 34 Cb 0.17 -0.55 -0.02 0.00 -0.01 0.00 0.00 39.48 39.07 1j3u n PHE 34 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1j3u n PRO 35 N 0.75 4.02 0.00 -1.08 -0.04 -1.24 -4.48 135.00 132.93 1j3u n PRO 35 Ca 0.30 -3.20 0.00 0.00 -0.04 0.00 0.00 63.50 60.56 1j3u n PRO 35 Cb 0.41 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1j3u n PRO 35 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1j3u n ILE 36 N 1.41 0.00 -0.09 0.52 2.08 -1.26 -4.75 119.36 117.26 1j3u n ILE 36 Ca 0.58 0.52 -0.10 0.00 0.56 0.00 0.00 62.75 64.31 1j3u n ILE 36 Cb 0.33 -1.41 -0.15 0.00 -0.75 0.00 0.00 39.64 37.65 1j3u n ILE 36 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1j3u n THR 37 N -1.82 1.44 -0.58 1.39 -2.24 -1.26 -4.99 114.28 106.22 1j3u n THR 37 Ca 0.00 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1j3u n THR 37 Cb 0.00 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1j3u n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3u n GLY 38 N 1.75 1.09 3.70 3.38 0.00 -1.26 -5.04 105.19 108.82 1j3u n GLY 38 Ca -0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 1j3u n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j3u s TYR 39 N -3.29 1.36 0.07 1.61 4.12 -1.26 -5.04 117.35 114.93 1j3u s TYR 39 Ca 0.00 0.62 0.09 0.00 0.02 0.00 0.00 57.07 57.80 1j3u s TYR 39 Cb 0.00 -3.52 -0.03 0.00 -1.52 0.00 0.00 41.96 36.89 1j3u s TYR 39 CO 0.00 -3.20 -0.23 1.03 0.02 0.00 0.00 175.55 173.17 1j3u s ARG 40 N -5.38 1.41 0.34 -0.62 1.81 -1.26 -4.39 118.95 110.85 1j3u s ARG 40 Ca 0.69 -1.10 -0.29 0.00 -1.72 0.00 0.00 55.73 53.31 1j3u s ARG 40 Cb -0.11 -1.64 -0.11 0.00 -0.45 0.00 0.00 34.95 32.64 1j3u s ARG 40 CO 0.55 0.41 1.38 0.96 -0.68 0.00 0.00 175.30 177.92 1j3u s ILE 41 N -0.94 2.47 0.15 1.52 -4.36 -1.26 -4.87 121.20 113.92 1j3u s ILE 41 Ca 0.09 0.47 -0.34 0.00 -0.26 0.00 0.00 60.65 60.61 1j3u s ILE 41 Cb -0.10 -3.30 -0.16 0.00 1.25 0.00 0.00 42.46 40.16 1j3u s ILE 41 CO 0.03 0.11 1.21 1.57 0.24 0.00 0.00 174.94 178.10 1j3u n HIS 42 N 0.84 1.34 0.11 1.37 -0.00 -1.26 -4.74 115.22 112.88 1j3u n HIS 42 Ca 0.01 0.67 0.06 0.00 -0.00 0.00 0.00 57.72 58.47 1j3u n HIS 42 Cb 0.41 -2.29 0.35 0.00 -0.00 0.00 0.00 29.99 28.45 1j3u n HIS 42 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1j3u n PRO 43 N 1.95 0.08 0.07 1.57 -0.04 -1.26 0.33 135.00 137.69 1j3u n PRO 43 Ca 0.16 0.55 -0.05 0.00 -0.04 0.00 0.00 63.50 64.12 1j3u n PRO 43 Cb 0.23 -1.87 -0.09 0.00 -0.04 0.00 0.00 33.50 31.72 1j3u n PRO 43 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1j3u h GLU 44 N 0.00 0.00 -0.23 0.54 4.57 -1.97 -1.21 114.58 116.27 1j3u h GLU 44 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 1j3u h GLU 44 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1j3u h GLU 44 CO 0.00 0.84 -0.58 1.25 -1.18 0.00 0.00 179.01 179.34 1j3u h LEU 45 N 0.00 0.91 0.08 1.64 6.46 -0.46 -1.55 115.31 122.40 1j3u h LEU 45 Ca -0.04 -0.57 0.00 0.00 -0.12 0.00 0.00 57.88 57.16 1j3u h LEU 45 Cb 1.71 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.37 1j3u h LEU 45 CO 0.11 1.31 -0.07 0.40 -0.62 0.00 0.00 178.44 179.57 1j3u h ILE 46 N 0.55 0.84 -0.67 4.05 2.04 -1.39 0.07 117.51 123.01 1j3u h ILE 46 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1j3u h ILE 46 Cb 1.20 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 1j3u h ILE 46 CO 0.13 0.00 0.34 0.50 0.00 0.00 0.00 178.15 179.11 1j3u h LYS 47 N -0.16 0.58 -0.87 2.37 3.64 -1.18 -1.69 116.57 119.24 1j3u h LYS 47 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1j3u h LYS 47 Cb 0.15 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1j3u h LYS 47 CO -0.01 0.38 0.52 0.77 -2.27 0.00 0.00 179.45 178.84 1j3u h SER 48 N 0.59 1.05 -0.81 4.20 0.02 -0.74 -1.49 113.55 116.38 1j3u h SER 48 Ca 0.32 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1j3u h SER 48 Cb 0.29 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1j3u h SER 48 CO -0.24 0.81 0.52 -0.07 -1.14 0.00 0.00 176.83 176.71 1j3u h LEU 49 N 1.21 0.94 -0.96 5.07 -0.00 -0.12 0.34 115.31 121.79 1j3u h LEU 49 Ca 0.31 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 58.13 1j3u h LEU 49 Cb -0.04 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.34 1j3u h LEU 49 CO -0.06 0.70 0.42 1.23 -0.00 0.00 0.00 178.44 180.73 1j3u h GLY 50 N 1.10 1.24 0.68 0.83 0.00 -0.62 -0.14 103.07 106.16 1j3u h GLY 50 Ca 0.29 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1j3u h GLY 50 CO -0.06 0.56 -0.03 -2.22 0.00 0.00 0.00 176.54 174.79 1j3u h ILE 51 N 1.15 1.31 -0.47 2.60 2.04 -0.62 -1.29 117.51 122.23 1j3u h ILE 51 Ca 0.28 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 65.22 1j3u h ILE 51 Cb 0.08 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 1j3u h ILE 51 CO -0.04 0.27 0.19 0.58 0.00 0.00 0.00 178.15 179.15 1j3u h VAL 52 N -0.21 0.87 -0.35 1.67 2.07 -0.67 0.16 116.25 119.80 1j3u h VAL 52 Ca 0.02 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1j3u h VAL 52 Cb 0.45 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1j3u h VAL 52 CO 0.01 0.07 0.02 0.11 0.02 0.00 0.00 177.57 177.80 1j3u h LYS 53 N 0.37 0.54 0.01 1.57 1.79 -0.97 -1.63 116.57 118.26 1j3u h LYS 53 Ca 0.22 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1j3u h LYS 53 Cb 0.21 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1j3u h LYS 53 CO -0.21 0.55 -0.01 -0.22 -1.08 0.00 0.00 179.45 178.49 1j3u h LYS 54 N 0.52 -0.01 -0.04 3.15 3.64 -0.16 -1.09 116.57 122.58 1j3u h LYS 54 Ca 0.11 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1j3u h LYS 54 Cb 0.31 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1j3u h LYS 54 CO 0.01 0.50 0.05 0.77 -2.27 0.00 0.00 179.45 178.51 1j3u h SER 55 N -0.54 0.00 0.28 4.20 0.02 -0.56 -1.36 113.55 115.60 1j3u h SER 55 Ca -0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1j3u h SER 55 Cb 0.52 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.07 1j3u h SER 55 CO 0.00 0.00 -1.66 0.00 -1.14 0.00 0.00 176.83 174.04 1j3u h ALA 56 N 1.94 0.16 -0.24 3.77 0.00 -1.19 -3.09 119.26 120.62 1j3u h ALA 56 Ca 0.02 -1.10 -0.00 0.00 0.00 0.00 0.00 54.91 53.82 1j3u h ALA 56 Cb 0.12 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1j3u h ALA 56 CO -0.00 1.03 0.14 0.00 0.00 0.00 0.00 179.25 180.41 1j3u h ALA 57 N 0.24 0.30 -0.47 0.00 0.00 -0.17 0.25 119.26 119.42 1j3u h ALA 57 Ca -0.30 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1j3u h ALA 57 Cb 2.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 1j3u h ALA 57 CO 0.18 -0.18 0.18 -0.07 0.00 0.00 0.00 179.25 179.36 1j3u h LEU 58 N 0.28 0.66 -0.54 0.00 4.07 -1.44 -2.10 115.31 116.24 1j3u h LEU 58 Ca 0.08 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 1j3u h LEU 58 Cb 0.04 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1j3u h LEU 58 CO -0.01 0.66 0.20 0.00 -1.08 0.00 0.00 178.44 178.20 1j3u h ALA 59 N 1.02 0.70 -0.01 1.53 0.00 -1.41 -1.29 119.26 119.80 1j3u h ALA 59 Ca 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1j3u h ALA 59 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1j3u h ALA 59 CO -0.01 0.33 -0.17 -0.91 0.00 0.00 0.00 179.25 178.48 1j3u h ASN 60 N 0.73 0.02 0.07 0.00 2.35 -0.82 -1.80 115.58 116.13 1j3u h ASN 60 Ca 0.18 -0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.68 1j3u h ASN 60 Cb 0.23 -0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.61 1j3u h ASN 60 CO -0.01 0.19 -1.01 0.24 -1.65 0.00 0.00 177.43 175.19 1j3u h MET 61 N 0.02 0.56 -0.63 0.81 2.86 -0.97 0.40 114.93 117.99 1j3u h MET 61 Ca 0.00 -0.70 -0.01 0.00 -2.06 0.00 0.00 59.70 56.94 1j3u h MET 61 Cb 0.32 0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 1j3u h MET 61 CO 0.02 1.29 0.36 1.49 1.06 0.00 0.00 176.91 181.14 1j3u h GLU 62 N 0.15 0.87 -0.27 1.72 4.81 -0.95 -1.40 114.58 119.51 1j3u h GLU 62 Ca -0.15 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1j3u h GLU 62 Cb 1.70 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.91 1j3u h GLU 62 CO 0.20 0.64 0.00 0.28 -0.73 0.00 0.00 179.01 179.40 1j3u n VAL 63 N -4.57 0.25 -1.20 0.32 0.31 -0.70 -4.90 118.33 107.82 1j3u n VAL 63 Ca 0.05 -0.20 -0.07 0.00 -0.01 0.00 0.00 64.34 64.10 1j3u n VAL 63 Cb 0.07 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.97 1j3u n VAL 63 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j3u n GLY 64 N 0.63 0.82 0.10 2.92 0.00 -0.53 -4.89 105.19 104.24 1j3u n GLY 64 Ca 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1j3u n GLY 64 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j3u h LEU 65 N 0.00 0.00 -8.61 0.99 3.38 -0.49 -3.46 115.31 107.12 1j3u h LEU 65 Ca -0.14 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.16 1j3u h LEU 65 Cb 0.77 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.25 1j3u h LEU 65 CO 0.21 0.68 -0.79 -0.22 0.09 0.00 0.00 178.44 178.41 1j3u s LEU 66 N -6.20 2.58 -0.18 1.67 2.96 -0.36 -4.97 118.68 114.17 1j3u s LEU 66 Ca -0.00 -0.36 -0.31 0.00 -0.22 0.00 0.00 54.13 53.24 1j3u s LEU 66 Cb 0.08 -1.56 -0.08 0.00 0.50 0.00 0.00 46.19 45.14 1j3u s LEU 66 CO 0.79 0.20 2.11 -0.67 -1.32 0.00 0.00 176.35 177.47 1j3u n ASP 67 N 3.30 3.19 0.22 3.68 2.03 -1.26 -4.42 116.55 123.28 1j3u n ASP 67 Ca -0.18 0.50 0.18 0.00 0.52 0.00 0.00 54.79 55.81 1j3u n ASP 67 Cb 0.53 -1.45 0.81 0.00 -0.72 0.00 0.00 41.12 40.29 1j3u n ASP 67 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1j3u h LYS 68 N 12.71 0.00 -0.06 -0.67 1.57 -1.97 0.39 116.57 128.55 1j3u h LYS 68 Ca -0.41 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.12 1j3u h LYS 68 Cb 1.26 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.59 1j3u h LYS 68 CO 0.97 0.00 -0.95 0.93 -0.57 0.00 0.00 179.45 179.83 1j3u h GLU 69 N 0.00 0.74 0.02 3.15 5.08 -2.00 -2.38 114.58 119.18 1j3u h GLU 69 Ca 0.09 -0.72 -0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1j3u h GLU 69 Cb 0.76 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1j3u h GLU 69 CO -0.00 1.31 -0.01 0.28 -1.00 0.00 0.00 179.01 179.59 1j3u h VAL 70 N 0.45 1.13 -0.92 3.13 2.07 -1.54 -3.33 116.25 117.24 1j3u h VAL 70 Ca -0.10 -1.77 0.26 0.00 0.82 0.00 0.00 66.70 65.91 1j3u h VAL 70 Cb 1.60 2.10 -0.14 0.00 -1.52 0.00 0.00 31.29 33.33 1j3u h VAL 70 CO 0.19 0.37 0.35 1.23 0.02 0.00 0.00 177.57 179.73 1j3u h GLY 71 N -0.97 1.59 0.06 2.17 0.00 -0.40 0.23 103.07 105.75 1j3u h GLY 71 Ca -0.00 -0.10 0.15 0.00 0.00 0.00 0.00 47.33 47.37 1j3u h GLY 71 CO 0.00 -0.40 0.25 -1.61 0.00 0.00 0.00 176.54 174.78 1j3u h GLN 72 N 0.26 0.35 -0.23 4.80 5.75 -1.53 -0.23 115.11 124.28 1j3u h GLN 72 Ca 0.61 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.97 1j3u h GLN 72 Cb 1.28 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.75 1j3u h GLN 72 CO -0.64 0.23 -0.31 1.88 -2.65 0.00 0.00 178.83 177.34 1j3u h TYR 73 N 0.36 0.77 -0.64 3.99 -1.99 -0.69 -2.79 116.97 115.99 1j3u h TYR 73 Ca 0.41 -0.25 0.09 0.00 2.00 0.00 0.00 58.73 60.98 1j3u h TYR 73 Cb 0.66 -0.15 -0.07 0.00 2.00 0.00 0.00 36.73 39.16 1j3u h TYR 73 CO -0.20 0.99 0.27 0.82 -0.00 0.00 0.00 178.16 180.04 1j3u h ILE 74 N 0.33 0.81 -0.44 -2.88 2.04 -0.61 -0.56 117.51 116.20 1j3u h ILE 74 Ca 0.03 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1j3u h ILE 74 Cb 0.89 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1j3u h ILE 74 CO 0.07 0.09 0.27 0.58 0.00 0.00 0.00 178.15 179.16 1j3u h VAL 75 N 0.48 1.14 -0.79 1.67 2.07 -1.01 0.17 116.25 119.98 1j3u h VAL 75 Ca 0.32 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.56 1j3u h VAL 75 Cb 0.36 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1j3u h VAL 75 CO -0.28 0.14 0.51 0.11 0.02 0.00 0.00 177.57 178.07 1j3u h LYS 76 N 0.58 0.98 -0.25 1.57 1.57 -1.09 0.18 116.57 120.12 1j3u h LYS 76 Ca 0.16 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1j3u h LYS 76 Cb -0.01 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1j3u h LYS 76 CO -0.03 0.65 -0.04 0.00 -0.57 0.00 0.00 179.45 179.46 1j3u h ALA 77 N 1.32 0.34 -0.37 3.86 0.00 -0.69 -2.40 119.26 121.32 1j3u h ALA 77 Ca 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1j3u h ALA 77 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1j3u h ALA 77 CO -0.10 0.13 0.22 0.00 0.00 0.00 0.00 179.25 179.50 1j3u h ALA 78 N 0.78 1.69 -0.30 0.00 0.00 -0.31 0.48 119.26 121.60 1j3u h ALA 78 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1j3u h ALA 78 Cb 0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1j3u h ALA 78 CO 0.02 0.27 0.02 -0.44 0.00 0.00 0.00 179.25 179.12 1j3u h ASP 79 N 0.51 0.42 0.76 0.00 3.45 -0.18 -0.64 116.42 120.73 1j3u h ASP 79 Ca 0.13 -0.06 -0.15 0.00 0.43 0.00 0.00 57.03 57.38 1j3u h ASP 79 Cb -0.02 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 1j3u h ASP 79 CO -0.03 0.47 -0.69 -0.33 -1.57 0.00 0.00 179.24 177.09 1j3u h GLU 80 N 0.44 0.00 -0.06 3.56 5.08 -0.47 -2.51 114.58 120.62 1j3u h GLU 80 Ca 0.10 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 1j3u h GLU 80 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1j3u h GLU 80 CO 0.00 0.69 -0.56 0.28 -1.00 0.00 0.00 179.01 178.42 1j3u h VAL 81 N 0.00 1.38 -0.10 3.13 2.07 -0.44 -1.62 116.25 120.66 1j3u h VAL 81 Ca -0.01 -1.90 -0.13 0.00 0.82 0.00 0.00 66.70 65.48 1j3u h VAL 81 Cb 1.26 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1j3u h VAL 81 CO 0.09 0.56 -0.53 0.40 0.02 0.00 0.00 177.57 178.11 1j3u h ILE 82 N 0.14 1.35 -0.01 4.57 2.04 -0.92 -2.47 117.51 122.22 1j3u h ILE 82 Ca -0.00 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.06 1j3u h ILE 82 Cb 1.04 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1j3u h ILE 82 CO 0.08 0.54 0.00 -0.62 0.00 0.00 0.00 178.15 178.15 1j3u n GLU 83 N -3.94 1.04 -3.49 2.37 1.02 -0.97 -4.80 120.64 111.88 1j3u n GLU 83 Ca -0.02 -0.06 -0.19 0.00 -0.02 0.00 0.00 57.16 56.87 1j3u n GLU 83 Cb 0.57 -1.33 0.08 0.00 -0.02 0.00 0.00 31.44 30.74 1j3u n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j3u n GLY 84 N 0.85 -0.37 0.38 0.62 0.00 -0.93 -4.90 105.19 100.84 1j3u n GLY 84 Ca 0.16 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.41 1j3u n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j3u n LYS 85 N -4.25 0.95 -1.48 1.61 4.01 -0.63 -4.46 118.16 113.90 1j3u n LYS 85 Ca -0.25 -0.77 0.03 0.00 -0.51 0.00 0.00 58.31 56.81 1j3u n LYS 85 Cb 0.66 -1.48 0.06 0.00 -0.51 0.00 0.00 35.03 33.75 1j3u n LYS 85 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20 1j3u n TRP 86 N -0.36 0.18 0.25 2.13 7.02 -1.26 -4.87 117.44 120.53 1j3u n TRP 86 Ca 0.08 -0.87 0.14 0.00 -1.02 0.00 0.00 57.50 55.84 1j3u n TRP 86 Cb 0.43 -0.18 0.81 0.00 -2.42 0.00 0.00 31.31 29.95 1j3u n TRP 86 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1j3u h ASN 87 N 1.18 0.00 -0.15 -0.99 2.35 -1.92 -1.55 115.58 114.49 1j3u h ASN 87 Ca -0.17 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 1j3u h ASN 87 Cb 1.67 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.03 1j3u h ASN 87 CO 0.10 0.00 0.03 0.44 -1.65 0.00 0.00 177.43 176.35 1j3u h ASP 88 N 0.00 0.32 0.71 5.81 3.45 -1.95 -2.44 116.42 122.31 1j3u h ASP 88 Ca 0.04 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1j3u h ASP 88 Cb 0.18 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 1j3u h ASP 88 CO -0.00 0.35 0.00 0.00 -1.57 0.00 0.00 179.24 178.02 1j3u n GLN 89 N -4.37 0.15 -3.02 3.56 1.13 -0.58 -4.44 117.38 109.81 1j3u n GLN 89 Ca 0.00 0.37 -0.44 0.00 -1.94 0.00 0.00 57.00 55.00 1j3u n GLN 89 Cb 0.18 -1.78 -0.04 0.00 0.11 0.00 0.00 30.24 28.71 1j3u n GLN 89 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1j3u s PHE 90 N -3.23 2.88 -0.83 1.08 0.40 -0.92 -4.75 117.98 112.61 1j3u s PHE 90 Ca 0.05 -0.77 0.07 0.00 -0.60 0.00 0.00 56.93 55.68 1j3u s PHE 90 Cb 0.10 -4.08 0.11 0.00 0.51 0.00 0.00 43.02 39.65 1j3u s PHE 90 CO 0.37 -1.40 0.88 0.44 0.70 0.00 0.00 175.22 176.21 1j3u n ILE 91 N 5.70 0.34 -2.10 0.64 -5.35 -1.26 -4.64 119.36 112.68 1j3u n ILE 91 Ca -0.07 -0.67 -0.33 0.00 -0.27 0.00 0.00 62.75 61.41 1j3u n ILE 91 Cb 0.44 0.94 0.01 0.00 -1.74 0.00 0.00 39.64 39.28 1j3u n ILE 91 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1j3u s VAL 92 N -0.75 3.72 -0.01 7.28 -7.23 -1.26 -4.90 120.40 117.25 1j3u s VAL 92 Ca 0.11 0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 60.84 1j3u s VAL 92 Cb 0.07 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 33.61 1j3u s VAL 92 CO 0.10 -0.44 1.21 -0.62 -0.31 0.00 0.00 175.10 175.04 1j3u s ASP 93 N -2.61 7.05 0.51 4.85 -1.08 -1.26 -4.34 116.67 119.80 1j3u s ASP 93 Ca 0.65 1.91 0.29 0.00 -0.52 0.00 0.00 52.55 54.88 1j3u s ASP 93 Cb -0.17 -2.57 1.41 0.00 -1.46 0.00 0.00 42.92 40.14 1j3u s ASP 93 CO 0.34 -0.55 1.87 -0.65 0.52 0.00 0.00 175.17 176.70 1j3u h PRO 94 N 7.25 0.08 -4.57 4.34 0.11 -1.90 -3.25 132.00 134.06 1j3u h PRO 94 Ca -0.37 -0.00 -0.72 0.00 0.11 0.00 0.00 66.00 65.02 1j3u h PRO 94 Cb 1.18 -0.02 -0.21 0.00 0.11 0.00 0.00 31.00 32.07 1j3u h PRO 94 CO 0.85 0.05 -0.19 0.42 -0.21 0.00 0.00 178.00 178.92 1j3u s ILE 95 N -5.07 5.10 0.09 4.15 1.01 -1.26 -4.21 121.20 121.01 1j3u s ILE 95 Ca -0.06 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.65 1j3u s ILE 95 Cb 0.22 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.53 1j3u s ILE 95 CO 0.78 -0.65 0.29 0.00 0.00 0.00 0.00 174.94 175.37 1j3u s GLN 96 N 2.02 0.92 0.09 2.79 -2.07 -1.23 -4.74 119.66 117.44 1j3u s GLN 96 Ca 0.08 -0.77 -0.00 0.00 -1.82 0.00 0.00 55.36 52.85 1j3u s GLN 96 Cb -0.22 0.39 0.02 0.00 -1.09 0.00 0.00 33.01 32.11 1j3u s GLN 96 CO 0.09 -0.32 0.13 0.41 -1.32 0.00 0.00 175.29 174.28 1j3u n GLY 97 N 0.03 0.34 2.70 2.60 0.00 -1.26 -4.45 105.19 105.15 1j3u n GLY 97 Ca -0.16 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1j3u n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3u n GLY 98 N 4.07 0.82 2.97 -0.02 0.00 -1.26 -4.00 105.19 107.77 1j3u n GLY 98 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1j3u n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3u n ALA 99 N 1.00 -0.94 0.00 4.61 0.00 -1.25 -2.47 120.51 121.46 1j3u n ALA 99 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1j3u n ALA 99 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 16.47 1j3u n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j3u n GLY 100 N -1.25 0.91 0.35 0.00 0.00 -1.26 -4.85 105.19 99.10 1j3u n GLY 100 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1j3u n GLY 100 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1j3u h THR 101 N 0.00 0.86 -0.41 2.61 2.02 -1.75 0.14 112.91 116.39 1j3u h THR 101 Ca 0.00 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1j3u h THR 101 Cb 0.00 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.27 1j3u h THR 101 CO 0.00 0.17 0.20 0.28 0.37 0.00 0.00 175.52 176.53 1j3u h SER 102 N 0.90 0.53 -0.32 4.18 0.02 -1.84 0.57 113.55 117.60 1j3u h SER 102 Ca 0.50 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1j3u h SER 102 Cb 0.56 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1j3u h SER 102 CO -0.29 0.51 0.20 0.40 -1.14 0.00 0.00 176.83 176.51 1j3u h ILE 103 N 0.52 1.10 -0.22 3.27 2.04 -1.60 0.11 117.51 122.72 1j3u h ILE 103 Ca 0.14 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1j3u h ILE 103 Cb 0.11 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1j3u h ILE 103 CO -0.02 0.09 0.10 -1.13 0.00 0.00 0.00 178.15 177.20 1j3u h ASN 104 N 0.43 0.30 0.24 1.72 -1.24 -0.36 -2.68 115.58 113.99 1j3u h ASN 104 Ca 0.12 -0.14 -0.05 0.00 0.71 0.00 0.00 56.30 56.93 1j3u h ASN 104 Cb -0.02 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 1j3u h ASN 104 CO -0.02 0.36 -0.25 0.24 -1.29 0.00 0.00 177.43 176.47 1j3u h MET 105 N 0.22 0.02 -0.67 6.67 2.86 0.37 -0.49 114.93 123.92 1j3u h MET 105 Ca 0.08 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 1j3u h MET 105 Cb 0.15 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1j3u h MET 105 CO -0.01 0.27 0.19 -0.97 1.06 0.00 0.00 176.91 177.45 1j3u h ASN 106 N 0.02 0.96 0.21 1.22 -0.00 -0.52 0.20 115.58 117.67 1j3u h ASN 106 Ca 0.00 -0.18 -0.20 0.00 -0.00 0.00 0.00 56.30 55.92 1j3u h ASN 106 Cb 0.45 -0.25 0.00 0.00 -0.00 0.00 0.00 38.32 38.52 1j3u h ASN 106 CO 0.03 0.91 -0.81 0.00 -0.00 0.00 0.00 177.43 177.56 1j3u h ALA 107 N 1.22 0.47 -0.48 1.57 0.00 -1.05 -2.00 119.26 118.99 1j3u h ALA 107 Ca 0.22 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1j3u h ALA 107 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1j3u h ALA 107 CO -0.01 0.76 -0.19 -0.91 0.00 0.00 0.00 179.25 178.91 1j3u h ASN 108 N 0.31 0.99 0.01 0.00 2.35 -0.63 -2.42 115.58 116.18 1j3u h ASN 108 Ca -0.05 -0.36 -0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1j3u h ASN 108 Cb 1.41 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1j3u h ASN 108 CO 0.14 1.14 -0.01 -0.33 -1.65 0.00 0.00 177.43 176.73 1j3u h GLU 109 N 0.84 -0.01 -0.35 0.81 5.08 -0.64 -1.88 114.58 118.43 1j3u h GLU 109 Ca 0.12 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1j3u h GLU 109 Cb 0.76 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 1j3u h GLU 109 CO 0.06 0.64 -0.02 0.28 -1.00 0.00 0.00 179.01 178.97 1j3u h VAL 110 N -0.68 0.72 -0.66 3.13 2.07 -0.96 -0.29 116.25 119.57 1j3u h VAL 110 Ca -0.00 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 1j3u h VAL 110 Cb 0.66 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1j3u h VAL 110 CO 0.00 0.01 0.08 0.40 0.02 0.00 0.00 177.57 178.09 1j3u h ILE 111 N 0.07 1.27 -0.32 4.57 2.04 -1.53 -1.10 117.51 122.50 1j3u h ILE 111 Ca 0.17 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 1j3u h ILE 111 Cb 0.24 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1j3u h ILE 111 CO -0.30 0.40 0.18 0.00 0.00 0.00 0.00 178.15 178.43 1j3u h ALA 112 N 1.04 0.41 -0.19 1.87 0.00 -0.75 -1.45 119.26 120.19 1j3u h ALA 112 Ca 0.20 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 1j3u h ALA 112 Cb 0.47 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1j3u h ALA 112 CO 0.02 -0.06 -0.70 -0.91 0.00 0.00 0.00 179.25 177.59 1j3u h ASN 113 N 0.40 0.93 0.40 0.00 2.35 -1.01 -2.31 115.58 116.34 1j3u h ASN 113 Ca 0.11 -0.57 -0.06 0.00 -0.55 0.00 0.00 56.30 55.23 1j3u h ASN 113 Cb 0.05 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1j3u h ASN 113 CO -0.02 1.37 -0.27 -0.09 -1.65 0.00 0.00 177.43 176.78 1j3u h ARG 114 N 0.57 0.00 -0.14 0.81 9.65 -1.16 -2.01 114.38 122.10 1j3u h ARG 114 Ca -0.03 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.73 1j3u h ARG 114 Cb 1.32 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 1j3u h ARG 114 CO 0.15 0.27 -0.39 0.00 2.80 0.00 0.00 179.97 182.80 1j3u h ALA 115 N 1.73 0.24 -0.53 2.80 0.00 -1.15 -2.56 119.26 119.80 1j3u h ALA 115 Ca -0.00 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1j3u h ALA 115 Cb 0.54 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1j3u h ALA 115 CO 0.03 0.33 0.35 -0.07 0.00 0.00 0.00 179.25 179.90 1j3u h LEU 116 N 0.14 0.60 -0.39 0.00 3.38 -1.05 -1.57 115.31 116.42 1j3u h LEU 116 Ca -0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1j3u h LEU 116 Cb 1.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1j3u h LEU 116 CO 0.08 0.43 -0.03 -0.08 0.09 0.00 0.00 178.44 178.94 1j3u h GLU 117 N 0.70 0.70 -0.56 1.13 4.81 -1.29 0.27 114.58 120.34 1j3u h GLU 117 Ca 0.20 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1j3u h GLU 117 Cb -0.05 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1j3u h GLU 117 CO -0.05 0.81 0.27 -0.07 -0.73 0.00 0.00 179.01 179.24 1j3u h LEU 118 N 0.52 0.71 -3.80 1.64 3.38 -0.90 -2.25 115.31 114.60 1j3u h LEU 118 Ca 0.11 -0.07 -0.51 0.00 0.09 0.00 0.00 57.88 57.50 1j3u h LEU 118 Cb 0.51 -0.18 -0.27 0.00 0.09 0.00 0.00 40.66 40.81 1j3u h LEU 118 CO 0.02 0.60 0.65 1.15 0.09 0.00 0.00 178.44 180.96 1j3u n MET 119 N -4.37 2.24 -3.75 1.13 0.00 -0.68 -4.93 117.12 106.76 1j3u n MET 119 Ca 0.05 -2.74 -0.34 0.00 0.00 0.00 0.00 57.70 54.67 1j3u n MET 119 Cb 0.13 -2.07 0.04 0.00 0.00 0.00 0.00 33.22 31.31 1j3u n MET 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1j3u n GLY 120 N -0.84 -0.96 3.16 3.17 0.00 -0.85 -5.01 105.19 103.87 1j3u n GLY 120 Ca 0.54 0.43 -0.11 0.00 0.00 0.00 0.00 46.02 46.88 1j3u n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3u s GLU 121 N -6.23 0.82 0.14 1.61 0.41 0.93 -5.01 118.70 111.35 1j3u s GLU 121 Ca 0.47 -1.28 -0.31 0.00 -0.41 0.00 0.00 54.97 53.45 1j3u s GLU 121 Cb -0.19 -0.25 -0.08 0.00 -1.78 0.00 0.00 34.13 31.84 1j3u s GLU 121 CO 0.88 -0.00 1.38 -1.21 -0.49 0.00 0.00 175.26 175.82 1j3u s GLU 122 N -3.57 4.33 0.43 1.61 0.41 -1.26 -4.02 118.70 116.63 1j3u s GLU 122 Ca 0.10 2.08 -0.25 0.00 -0.41 0.00 0.00 54.97 56.49 1j3u s GLU 122 Cb 0.03 -3.23 -0.08 0.00 -1.78 0.00 0.00 34.13 29.07 1j3u s GLU 122 CO -0.04 -0.40 1.33 0.15 -0.49 0.00 0.00 175.26 175.80 1j3u s LYS 123 N 0.82 3.80 0.00 1.61 1.02 -1.26 -2.21 119.74 123.53 1j3u s LYS 123 Ca 0.63 2.19 0.00 0.00 0.02 0.00 0.00 55.97 58.81 1j3u s LYS 123 Cb -0.37 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1j3u s LYS 123 CO 0.32 -0.64 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 1j3u n GLY 124 N 0.63 0.93 2.93 -3.33 0.00 -1.26 -4.96 105.19 100.13 1j3u n GLY 124 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1j3u n GLY 124 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j3u n ASN 125 N 0.00 4.44 -0.02 1.61 4.05 -0.94 -4.77 115.26 119.64 1j3u n ASN 125 Ca 0.00 -2.94 0.00 0.00 0.45 0.00 0.00 54.58 52.09 1j3u n ASN 125 Cb 0.00 -1.61 0.00 0.00 1.23 0.00 0.00 39.78 39.40 1j3u n ASN 125 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1j3u n TYR 126 N 5.72 0.00 0.03 1.20 0.53 -1.26 -2.20 117.16 121.18 1j3u n TYR 126 Ca 0.47 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 57.23 1j3u n TYR 126 Cb 0.39 -0.00 -0.14 0.00 -1.03 0.00 0.00 39.34 38.57 1j3u n TYR 126 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1j3u h SER 127 N 0.02 0.18 0.01 7.72 0.02 -1.99 -2.80 113.55 116.72 1j3u h SER 127 Ca 0.00 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1j3u h SER 127 Cb 0.01 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1j3u h SER 127 CO 0.00 1.24 -0.00 0.11 -1.14 0.00 0.00 176.83 177.04 1j3u h LYS 128 N 0.03 -0.01 -3.10 3.45 1.79 -1.86 -3.43 116.57 113.44 1j3u h LYS 128 Ca -0.22 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.63 1j3u h LYS 128 Cb 1.97 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 32.22 1j3u h LYS 128 CO 0.12 0.31 -0.70 0.42 -1.08 0.00 0.00 179.45 178.52 1j3u s ILE 129 N -1.83 1.78 -0.08 1.86 1.01 -1.22 -5.06 121.20 117.66 1j3u s ILE 129 Ca -0.06 -2.83 -0.30 0.00 0.00 0.00 0.00 60.65 57.46 1j3u s ILE 129 Cb -0.01 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 1j3u s ILE 129 CO 0.23 -0.87 1.28 -0.55 0.00 0.00 0.00 174.94 175.03 1j3u s SER 130 N 0.12 6.96 0.42 3.58 0.15 -1.06 -4.49 113.70 119.38 1j3u s SER 130 Ca 0.18 1.86 0.09 0.00 0.70 0.00 0.00 55.95 58.78 1j3u s SER 130 Cb -0.24 -2.55 0.90 0.00 -1.71 0.00 0.00 66.02 62.42 1j3u s SER 130 CO -0.00 -0.68 2.04 1.55 1.20 0.00 0.00 173.24 177.35 1j3u h PRO 131 N 7.85 0.41 0.11 5.44 0.13 -1.85 0.59 132.00 144.68 1j3u h PRO 131 Ca -0.33 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.59 1j3u h PRO 131 Cb 1.15 -0.09 0.01 0.00 0.13 0.00 0.00 31.00 32.21 1j3u h PRO 131 CO 0.91 0.31 -0.80 -0.97 -0.23 0.00 0.00 178.00 177.23 1j3u h ASN 132 N 0.41 0.36 1.24 1.44 -0.00 -1.90 -2.10 115.58 115.04 1j3u h ASN 132 Ca 0.11 -0.93 0.00 0.00 -0.00 0.00 0.00 56.30 55.48 1j3u h ASN 132 Cb 0.03 -0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.23 1j3u h ASN 132 CO -0.02 1.37 -0.61 0.28 -0.00 0.00 0.00 177.43 178.46 1j3u h SER 133 N -0.49 0.00 0.00 1.15 0.02 -1.86 -3.31 113.55 109.06 1j3u h SER 133 Ca -0.15 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1j3u h SER 133 Cb 1.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.09 1j3u h SER 133 CO 0.10 0.02 -0.43 1.41 -1.14 0.00 0.00 176.83 176.80 1j3u n HIS 134 N -2.62 0.00 0.23 3.45 8.25 0.20 -4.13 115.22 120.60 1j3u n HIS 134 Ca 0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.56 1j3u n HIS 134 Cb 0.51 -0.21 0.56 0.00 1.12 0.00 0.00 29.99 31.97 1j3u n HIS 134 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1j3u h VAL 135 N -0.43 0.92 -0.52 1.59 2.07 -1.53 -2.35 116.25 116.00 1j3u h VAL 135 Ca 0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1j3u h VAL 135 Cb 0.43 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1j3u h VAL 135 CO 0.00 0.20 0.00 -3.20 0.02 0.00 0.00 177.57 174.59 1j3u n ASN 136 N -3.98 3.58 -4.70 0.57 5.15 -0.79 -4.91 115.26 110.18 1j3u n ASN 136 Ca -0.02 -2.11 -0.44 0.00 -0.60 0.00 0.00 54.58 51.42 1j3u n ASN 136 Cb 0.28 -0.38 -0.02 0.00 -0.53 0.00 0.00 39.78 39.12 1j3u n ASN 136 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1j3u n MET 137 N 0.95 2.30 -1.23 1.20 0.00 -0.89 -2.56 117.12 116.88 1j3u n MET 137 Ca 0.19 0.82 -0.08 0.00 -0.00 0.00 0.00 57.70 58.62 1j3u n MET 137 Cb 0.58 -2.53 -0.03 0.00 0.00 0.00 0.00 33.22 31.23 1j3u n MET 137 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1j3u n SER 138 N 2.27 -4.69 -4.24 6.12 7.64 -1.26 -4.96 113.62 114.51 1j3u n SER 138 Ca 0.11 0.20 -0.13 0.00 1.01 0.00 0.00 58.87 60.06 1j3u n SER 138 Cb 0.33 -2.90 -0.10 0.00 -1.01 0.00 0.00 64.21 60.54 1j3u n SER 138 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j3u s GLN 139 N -2.39 1.22 0.06 1.43 -2.07 -1.06 -4.77 119.66 112.08 1j3u s GLN 139 Ca 0.00 -1.63 0.04 0.00 -1.82 0.00 0.00 55.36 51.94 1j3u s GLN 139 Cb 0.00 0.03 -0.03 0.00 -1.09 0.00 0.00 33.01 31.92 1j3u s GLN 139 CO 0.00 -0.31 -0.11 0.45 -1.32 0.00 0.00 175.29 174.00 1j3u s SER 140 N -3.20 1.31 0.30 12.60 0.15 -1.26 -4.98 113.70 118.63 1j3u s SER 140 Ca 0.35 -0.62 0.06 0.00 0.70 0.00 0.00 55.95 56.44 1j3u s SER 140 Cb 0.07 -0.01 0.79 0.00 -1.71 0.00 0.00 66.02 65.17 1j3u s SER 140 CO 0.10 -0.16 1.72 0.74 1.20 0.00 0.00 173.24 176.85 1j3u h THR 141 N 4.26 0.54 0.00 6.45 2.02 -1.97 0.39 112.91 124.60 1j3u h THR 141 Ca -0.38 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1j3u h THR 141 Cb 1.20 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1j3u h THR 141 CO 0.42 0.10 0.00 0.78 0.37 0.00 0.00 175.52 177.19 1j3u h ASN 142 N 0.53 0.00 0.00 4.18 2.35 -1.86 -2.27 115.58 118.51 1j3u h ASN 142 Ca 0.59 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.34 1j3u h ASN 142 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1j3u h ASN 142 CO -0.48 0.00 -0.98 -0.90 -1.65 0.00 0.00 177.43 173.42 1j3u n ASP 143 N -2.48 4.89 0.06 5.81 3.85 0.11 -4.54 116.55 124.24 1j3u n ASP 143 Ca -0.01 0.00 -0.12 0.00 -0.71 0.00 0.00 54.79 53.95 1j3u n ASP 143 Cb 0.08 0.51 -0.08 0.00 -1.35 0.00 0.00 41.12 40.28 1j3u n ASP 143 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1j3u h ALA 144 N 0.00 -0.20 0.22 2.12 0.00 -0.69 -2.62 119.26 118.09 1j3u h ALA 144 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1j3u h ALA 144 Cb 0.93 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1j3u h ALA 144 CO 0.00 -0.35 -0.18 0.35 0.00 0.00 0.00 179.25 179.07 1j3u h PHE 145 N -0.73 -0.48 -0.42 0.00 3.57 -1.61 -0.19 116.94 117.09 1j3u h PHE 145 Ca -0.02 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 1j3u h PHE 145 Cb 0.52 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1j3u h PHE 145 CO 0.08 -0.28 0.07 -1.00 -2.23 0.00 0.00 178.31 174.95 1j3u h PRO 146 N -0.42 0.64 -0.33 6.41 0.13 -1.73 -1.55 132.00 135.15 1j3u h PRO 146 Ca -0.01 -0.13 -0.13 0.00 -0.87 0.00 0.00 66.00 64.87 1j3u h PRO 146 Cb 0.38 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1j3u h PRO 146 CO -0.02 0.61 -0.31 1.15 -0.23 0.00 0.00 178.00 179.20 1j3u h THR 147 N 0.62 1.28 -0.32 1.56 2.02 -1.22 0.95 112.91 117.80 1j3u h THR 147 Ca 0.14 -1.45 -0.02 0.00 0.77 0.00 0.00 66.41 65.85 1j3u h THR 147 Cb 0.28 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1j3u h THR 147 CO 0.00 0.47 0.13 0.00 0.37 0.00 0.00 175.52 176.50 1j3u h ALA 148 N 1.04 0.41 -0.57 6.16 0.00 -0.62 -1.41 119.26 124.26 1j3u h ALA 148 Ca 0.07 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1j3u h ALA 148 Cb 0.83 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1j3u h ALA 148 CO 0.07 0.00 0.37 1.15 0.00 0.00 0.00 179.25 180.85 1j3u h THR 149 N 0.37 1.13 -0.83 0.00 2.02 -1.01 0.27 112.91 114.86 1j3u h THR 149 Ca 0.11 -0.26 0.11 0.00 0.77 0.00 0.00 66.41 67.14 1j3u h THR 149 Cb 0.17 0.31 -0.08 0.00 -1.74 0.00 0.00 68.15 66.81 1j3u h THR 149 CO -0.01 0.14 0.45 0.45 0.37 0.00 0.00 175.52 176.92 1j3u h HIS 150 N 0.75 0.81 -0.11 3.16 3.86 -0.28 0.21 115.15 123.55 1j3u h HIS 150 Ca 0.22 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.40 1j3u h HIS 150 Cb -0.06 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.17 1j3u h HIS 150 CO -0.04 0.28 -0.17 0.82 0.86 0.00 0.00 177.93 179.68 1j3u h ILE 151 N 0.72 1.38 0.38 2.45 2.04 -0.40 -2.24 117.51 121.84 1j3u h ILE 151 Ca 0.42 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 1j3u h ILE 151 Cb 0.47 2.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1j3u h ILE 151 CO -0.29 0.41 -0.21 0.00 0.00 0.00 0.00 178.15 178.06 1j3u h ALA 152 N 0.54 -0.55 -0.98 1.87 0.00 0.12 -0.66 119.26 119.59 1j3u h ALA 152 Ca 0.01 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1j3u h ALA 152 Cb 0.74 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1j3u h ALA 152 CO 0.04 -0.82 0.64 0.28 0.00 0.00 0.00 179.25 179.39 1j3u h VAL 153 N -0.55 1.12 -0.34 0.00 2.07 -0.71 0.45 116.25 118.28 1j3u h VAL 153 Ca -0.05 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1j3u h VAL 153 Cb 0.44 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1j3u h VAL 153 CO 0.06 0.22 0.17 -0.07 0.02 0.00 0.00 177.57 177.97 1j3u h LEU 154 N 1.19 0.45 -0.02 2.57 3.38 -1.13 0.22 115.31 121.96 1j3u h LEU 154 Ca 0.41 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1j3u h LEU 154 Cb 0.09 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1j3u h LEU 154 CO -0.15 0.44 0.01 0.28 0.09 0.00 0.00 178.44 179.12 1j3u h SER 155 N 0.42 0.03 -0.71 -0.43 0.02 -0.30 -1.52 113.55 111.06 1j3u h SER 155 Ca 0.12 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1j3u h SER 155 Cb 0.11 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1j3u h SER 155 CO -0.02 0.10 0.38 -0.07 -1.14 0.00 0.00 176.83 176.08 1j3u h LEU 156 N -0.04 0.91 -0.36 5.07 3.38 -0.80 -2.63 115.31 120.84 1j3u h LEU 156 Ca 0.01 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1j3u h LEU 156 Cb 0.07 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1j3u h LEU 156 CO -0.00 0.75 0.12 0.25 0.09 0.00 0.00 178.44 179.64 1j3u h LEU 157 N 1.02 0.12 -1.36 1.67 5.85 -0.13 -0.88 115.31 121.60 1j3u h LEU 157 Ca 0.25 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 1j3u h LEU 157 Cb 0.05 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1j3u h LEU 157 CO -0.04 0.10 0.18 0.78 -0.34 0.00 0.00 178.44 179.12 1j3u h ASN 158 N 0.27 0.55 -0.04 1.25 2.35 -0.93 -0.75 115.58 118.27 1j3u h ASN 158 Ca 0.17 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1j3u h ASN 158 Cb 0.15 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1j3u h ASN 158 CO -0.18 0.50 -0.02 -0.61 -1.65 0.00 0.00 177.43 175.48 1j3u h GLN 159 N 0.61 0.09 -0.98 0.81 -0.00 -1.13 -2.09 115.11 112.42 1j3u h GLN 159 Ca 0.15 -0.04 0.16 0.00 -0.00 0.00 0.00 58.65 58.92 1j3u h GLN 159 Cb 0.12 -0.00 -0.09 0.00 0.00 0.00 0.00 27.48 27.50 1j3u h GLN 159 CO -0.02 0.47 0.62 1.25 0.00 0.00 0.00 178.83 181.14 1j3u h LEU 160 N -0.29 0.80 -0.62 -2.39 5.85 -0.67 0.10 115.31 118.08 1j3u h LEU 160 Ca 0.01 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1j3u h LEU 160 Cb 0.44 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1j3u h LEU 160 CO 0.01 0.36 0.21 0.40 -0.34 0.00 0.00 178.44 179.07 1j3u h ILE 161 N 0.82 1.24 0.29 4.05 2.04 -0.92 0.80 117.51 125.83 1j3u h ILE 161 Ca 0.52 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1j3u h ILE 161 Cb 0.74 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1j3u h ILE 161 CO -0.30 0.31 -0.14 -0.33 0.00 0.00 0.00 178.15 177.69 1j3u h GLU 162 N 0.88 -0.38 -0.01 2.37 4.39 -0.33 -0.21 114.58 121.29 1j3u h GLU 162 Ca 0.20 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1j3u h GLU 162 Cb 0.27 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1j3u h GLU 162 CO -0.01 -0.16 -0.06 1.15 -1.16 0.00 0.00 179.01 178.77 1j3u h THR 163 N -0.53 1.05 0.12 1.13 2.02 -1.08 -0.78 112.91 114.84 1j3u h THR 163 Ca -0.04 -0.22 -0.29 0.00 0.77 0.00 0.00 66.41 66.63 1j3u h THR 163 Cb 0.39 1.11 0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1j3u h THR 163 CO 0.07 0.06 -1.23 0.74 0.37 0.00 0.00 175.52 175.53 1j3u h THR 164 N 0.01 1.36 -0.77 3.16 2.02 -0.61 -2.29 112.91 115.79 1j3u h THR 164 Ca 0.00 -2.64 -0.05 0.00 0.77 0.00 0.00 66.41 64.49 1j3u h THR 164 Cb 0.11 2.75 -0.03 0.00 -1.74 0.00 0.00 68.15 69.24 1j3u h THR 164 CO 0.01 0.79 0.27 0.11 0.37 0.00 0.00 175.52 177.07 1j3u h LYS 165 N 0.20 1.18 0.23 6.66 1.57 -0.51 0.39 116.57 126.29 1j3u h LYS 165 Ca -0.17 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1j3u h LYS 165 Cb 1.91 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 34.03 1j3u h LYS 165 CO 0.22 0.98 -0.18 -0.92 -0.57 0.00 0.00 179.45 178.99 1j3u h TYR 166 N 1.14 -0.46 -0.93 -1.35 3.20 -1.15 -1.13 116.97 116.30 1j3u h TYR 166 Ca 0.25 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.16 1j3u h TYR 166 Cb 0.27 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.66 1j3u h TYR 166 CO 0.02 -0.27 0.60 1.98 -1.64 0.00 0.00 178.16 178.85 1j3u h MET 167 N -0.42 1.11 -0.60 1.82 4.05 -0.97 -1.34 114.93 118.59 1j3u h MET 167 Ca -0.01 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.30 1j3u h MET 167 Cb 0.37 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 1j3u h MET 167 CO -0.01 0.74 0.22 0.37 0.23 0.00 0.00 176.91 178.46 1j3u h GLN 168 N 1.15 0.87 -0.10 0.39 -0.00 0.10 -1.91 115.11 115.61 1j3u h GLN 168 Ca 0.38 -0.14 -0.18 0.00 -0.00 0.00 0.00 58.65 58.71 1j3u h GLN 168 Cb 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 27.37 1j3u h GLN 168 CO -0.13 0.73 -0.70 1.96 0.00 0.00 0.00 178.83 180.69 1j3u h GLN 169 N 0.86 0.43 0.00 1.69 1.08 -0.52 -2.52 115.11 116.14 1j3u h GLN 169 Ca 0.20 -0.34 -0.07 0.00 -1.45 0.00 0.00 58.65 57.00 1j3u h GLN 169 Cb 0.19 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1j3u h GLN 169 CO -0.02 0.97 -0.33 1.49 -0.95 0.00 0.00 178.83 179.99 1j3u h GLU 170 N 0.30 0.00 -0.34 1.46 4.57 -0.82 -1.13 114.58 118.62 1j3u h GLU 170 Ca -0.02 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.98 1j3u h GLU 170 Cb 1.26 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1j3u h GLU 170 CO 0.12 0.33 -0.46 0.74 -1.18 0.00 0.00 179.01 178.56 1j3u h PHE 171 N 0.00 1.11 -0.63 0.92 0.04 -1.15 -2.56 116.94 114.67 1j3u h PHE 171 Ca -0.00 -0.36 -0.01 0.00 2.80 0.00 0.00 57.97 60.40 1j3u h PHE 171 Cb 0.62 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 1j3u h PHE 171 CO 0.00 1.19 0.36 0.52 -0.60 0.00 0.00 178.31 179.78 1j3u h MET 172 N 0.72 0.86 -0.76 1.51 2.86 -0.91 0.57 114.93 119.79 1j3u h MET 172 Ca 0.04 -0.09 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 1j3u h MET 172 Cb 1.06 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.49 1j3u h MET 172 CO 0.11 0.64 0.43 0.87 1.06 0.00 0.00 176.91 180.02 1j3u h LYS 173 N 0.85 0.75 -0.28 1.72 1.57 -1.07 0.11 116.57 120.22 1j3u h LYS 173 Ca 0.22 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1j3u h LYS 173 Cb 0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1j3u h LYS 173 CO -0.04 0.50 -0.19 0.87 -0.57 0.00 0.00 179.45 180.02 1j3u h LYS 174 N 0.78 0.52 -0.68 3.15 1.79 -1.00 0.20 116.57 121.31 1j3u h LYS 174 Ca 0.35 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.60 1j3u h LYS 174 Cb 0.24 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 1j3u h LYS 174 CO -0.20 0.69 0.28 0.00 -1.08 0.00 0.00 179.45 179.13 1j3u h ALA 175 N 1.33 0.89 -0.04 3.86 0.00 0.14 -0.57 119.26 124.88 1j3u h ALA 175 Ca 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1j3u h ALA 175 Cb 0.60 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1j3u h ALA 175 CO 0.04 0.51 -0.09 -0.44 0.00 0.00 0.00 179.25 179.27 1j3u h ASP 176 N 0.97 0.14 -0.53 0.00 3.32 -0.68 -1.17 116.42 118.47 1j3u h ASP 176 Ca 0.23 -0.60 0.15 0.00 0.02 0.00 0.00 57.03 56.83 1j3u h ASP 176 Cb 0.20 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1j3u h ASP 176 CO -0.02 0.71 0.38 -0.08 -1.72 0.00 0.00 179.24 178.51 1j3u h GLU 177 N -0.42 0.04 -0.33 3.56 4.81 -0.48 0.16 114.58 121.91 1j3u h GLU 177 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1j3u h GLU 177 Cb 0.70 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1j3u h GLU 177 CO 0.02 0.02 0.00 1.19 -0.73 0.00 0.00 179.01 179.51 1j3u n PHE 178 N -4.39 0.71 0.33 0.92 3.72 -0.23 -4.66 117.46 113.85 1j3u n PHE 178 Ca 0.10 -0.65 0.14 0.00 -0.05 0.00 0.00 57.45 56.99 1j3u n PHE 178 Cb 0.58 -0.15 0.76 0.00 -0.94 0.00 0.00 39.48 39.73 1j3u n PHE 178 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j3u h ALA 179 N 2.05 1.35 -0.06 4.37 0.00 0.35 -0.54 119.26 126.79 1j3u h ALA 179 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j3u h ALA 179 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1j3u h ALA 179 CO 0.10 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.41 1j3u n GLY 180 N -1.23 1.54 3.50 0.00 0.00 -1.26 -4.76 105.19 102.97 1j3u n GLY 180 Ca -0.02 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1j3u n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3u s VAL 181 N -0.74 4.05 0.37 1.61 1.01 -0.32 -4.98 120.40 121.40 1j3u s VAL 181 Ca 0.05 -0.05 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 1j3u s VAL 181 Cb 0.03 -4.80 -0.09 0.00 0.00 0.00 0.00 36.38 31.52 1j3u s VAL 181 CO 0.04 -1.65 1.12 -0.51 0.00 0.00 0.00 175.10 174.10 1j3u s ILE 182 N 4.81 3.38 0.36 2.22 1.10 -1.26 -0.41 121.20 131.40 1j3u s ILE 182 Ca 0.29 1.18 -0.08 0.00 -0.51 0.00 0.00 60.65 61.53 1j3u s ILE 182 Cb -0.12 -3.67 0.02 0.00 0.15 0.00 0.00 42.46 38.84 1j3u s ILE 182 CO 0.11 0.13 0.60 -1.59 -2.11 0.00 0.00 174.94 172.08 1j3u s LYS 183 N -2.16 2.04 -0.30 3.50 -2.85 -0.89 -4.00 119.74 115.09 1j3u s LYS 183 Ca 0.54 -1.63 -0.11 0.00 -1.00 0.00 0.00 55.97 53.77 1j3u s LYS 183 Cb -0.29 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 35.97 1j3u s LYS 183 CO 0.36 -0.89 0.18 1.41 0.10 0.00 0.00 175.35 176.51 1j3u s MET 184 N -2.77 3.70 0.77 1.78 -2.45 -1.26 -2.18 119.30 116.88 1j3u s MET 184 Ca 0.25 -0.48 -0.12 0.00 -1.25 0.00 0.00 55.69 54.08 1j3u s MET 184 Cb -0.02 -3.63 0.06 0.00 1.25 0.00 0.00 34.83 32.48 1j3u s MET 184 CO 0.17 -0.28 1.11 0.20 1.05 0.00 0.00 175.02 177.26 1j3u s GLY 185 N 1.71 1.82 -0.03 2.11 0.00 -0.69 -4.88 107.32 107.34 1j3u s GLY 185 Ca 0.06 0.40 -0.03 0.00 0.00 0.00 0.00 44.72 45.16 1j3u s GLY 185 CO 0.09 0.77 0.08 0.50 0.00 0.00 0.00 173.10 174.54 1j3u s ARG 186 N -4.64 0.09 -0.05 2.90 0.52 -1.26 -1.75 118.95 114.75 1j3u s ARG 186 Ca 0.64 0.14 -0.00 0.00 -0.52 0.00 0.00 55.73 55.98 1j3u s ARG 186 Cb -0.19 0.01 0.03 0.00 0.52 0.00 0.00 34.95 35.32 1j3u s ARG 186 CO 0.53 -0.03 -0.01 0.95 0.02 0.00 0.00 175.30 176.75 1j3u s THR 187 N 0.18 0.37 -0.23 0.02 -4.23 -0.75 -4.63 115.64 106.37 1j3u s THR 187 Ca -0.01 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1j3u s THR 187 Cb -0.02 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.34 1j3u s THR 187 CO -0.01 0.22 0.00 1.41 -0.54 0.00 0.00 174.62 175.71 1j3u n HIS 188 N 4.59 0.00 -1.01 3.99 8.25 -1.26 -2.03 115.22 127.75 1j3u n HIS 188 Ca -0.17 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1j3u n HIS 188 Cb 0.50 -0.75 -0.00 0.00 1.12 0.00 0.00 29.99 30.86 1j3u n HIS 188 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1j3u n LEU 189 N -0.25 0.53 -4.88 2.41 4.77 -1.26 -4.97 117.00 113.35 1j3u n LEU 189 Ca -0.02 0.01 -0.37 0.00 -0.03 0.00 0.00 56.01 55.60 1j3u n LEU 189 Cb 0.10 -1.69 -0.06 0.00 -2.33 0.00 0.00 43.42 39.44 1j3u n LEU 189 CO 0.03 -0.59 -0.14 -1.58 -1.33 0.00 0.00 177.39 173.78 1j3u s GLN 190 N -1.26 3.49 0.33 3.23 2.00 -0.86 -5.03 119.66 121.56 1j3u s GLN 190 Ca 0.00 -0.08 -0.26 0.00 -2.00 0.00 0.00 55.36 53.02 1j3u s GLN 190 Cb 0.00 -3.19 -0.14 0.00 0.80 0.00 0.00 33.01 30.48 1j3u s GLN 190 CO 0.00 0.77 0.75 -0.25 -0.50 0.00 0.00 175.29 176.06 1j3u n ASP 191 N 1.95 0.05 0.00 6.67 10.43 -1.26 -1.80 116.55 132.59 1j3u n ASP 191 Ca -0.19 1.07 0.00 0.00 2.57 0.00 0.00 54.79 58.23 1j3u n ASP 191 Cb 0.55 -1.17 0.00 0.00 1.84 0.00 0.00 41.12 42.34 1j3u n ASP 191 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j3u n ALA 192 N -0.25 0.00 -2.38 2.24 0.00 -0.72 -4.73 120.51 114.67 1j3u n ALA 192 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 1j3u n ALA 192 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 1j3u n ALA 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1j3u s VAL 193 N 3.93 3.16 0.70 0.00 -7.23 -1.26 -4.55 120.40 115.14 1j3u s VAL 193 Ca 0.00 -1.36 -0.15 0.00 -1.81 0.00 0.00 61.98 58.66 1j3u s VAL 193 Cb 0.00 -3.10 0.02 0.00 0.56 0.00 0.00 36.38 33.86 1j3u s VAL 193 CO 0.00 -0.10 1.16 -2.84 -0.31 0.00 0.00 175.10 173.01 1j3u s PRO 194 N -4.05 2.46 -0.00 4.82 0.02 -1.26 -1.71 135.00 135.27 1j3u s PRO 194 Ca 0.44 1.58 -0.22 0.00 0.02 0.00 0.00 61.00 62.82 1j3u s PRO 194 Cb -0.05 -1.89 0.05 0.00 0.02 0.00 0.00 34.50 32.63 1j3u s PRO 194 CO 0.27 -1.55 0.48 -1.50 -0.33 0.00 0.00 177.00 174.38 1j3u s ILE 195 N -2.16 0.03 0.19 2.83 2.07 -0.93 -4.69 121.20 118.56 1j3u s ILE 195 Ca 0.71 -0.28 -0.25 0.00 -1.41 0.00 0.00 60.65 59.42 1j3u s ILE 195 Cb -0.25 -0.87 -0.08 0.00 0.13 0.00 0.00 42.46 41.39 1j3u s ILE 195 CO 0.43 -0.15 0.79 -0.76 -1.91 0.00 0.00 174.94 173.34 1j3u s LEU 196 N -1.55 4.53 0.08 8.50 2.01 -1.26 -2.10 118.68 128.90 1j3u s LEU 196 Ca -0.10 1.64 -0.31 0.00 0.01 0.00 0.00 54.13 55.38 1j3u s LEU 196 Cb -0.02 -3.43 -0.16 0.00 0.01 0.00 0.00 46.19 42.60 1j3u s LEU 196 CO 0.04 0.15 1.64 0.25 1.01 0.00 0.00 176.35 179.44 1j3u h LEU 197 N 4.05 -0.72 -1.47 1.79 6.46 -0.90 -1.24 115.31 123.27 1j3u h LEU 197 Ca -0.47 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.33 1j3u h LEU 197 Cb 1.20 0.21 0.00 0.00 -0.73 0.00 0.00 40.66 41.35 1j3u h LEU 197 CO 0.66 -0.45 0.46 1.23 -0.62 0.00 0.00 178.44 179.72 1j3u h GLY 198 N -0.70 0.00 1.66 3.75 0.00 -1.48 0.42 103.07 106.71 1j3u h GLY 198 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.05 1j3u h GLY 198 CO 0.04 0.00 -1.00 1.46 0.00 0.00 0.00 176.54 177.04 1j3u h GLN 199 N 0.00 0.29 -0.26 4.80 4.20 -1.50 -1.95 115.11 120.68 1j3u h GLN 199 Ca 0.00 -0.36 -0.16 0.00 0.06 0.00 0.00 58.65 58.19 1j3u h GLN 199 Cb 0.92 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 1j3u h GLN 199 CO 0.00 1.08 -0.49 0.93 -0.67 0.00 0.00 178.83 179.69 1j3u h GLU 200 N 0.14 0.71 0.00 1.46 5.08 -0.10 -1.33 114.58 120.55 1j3u h GLU 200 Ca -0.08 -0.42 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 1j3u h GLU 200 Cb 1.66 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 1j3u h GLU 200 CO 0.16 1.04 -0.49 0.74 -1.00 0.00 0.00 179.01 179.46 1j3u h PHE 201 N 0.56 0.00 0.00 4.33 0.04 -1.40 -1.64 116.94 118.83 1j3u h PHE 201 Ca 0.03 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.70 1j3u h PHE 201 Cb 1.05 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 1j3u h PHE 201 CO 0.05 0.49 -0.48 1.49 -0.60 0.00 0.00 178.31 179.26 1j3u h GLU 202 N 0.00 0.00 -0.24 1.51 4.81 -1.23 -1.44 114.58 117.99 1j3u h GLU 202 Ca -0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1j3u h GLU 202 Cb 0.90 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1j3u h GLU 202 CO 0.06 0.48 -0.20 0.00 -0.73 0.00 0.00 179.01 178.63 1j3u h ALA 203 N 1.52 1.20 0.01 2.92 0.00 -0.39 0.17 119.26 124.70 1j3u h ALA 203 Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1j3u h ALA 203 Cb 1.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1j3u h ALA 203 CO 0.06 0.51 -0.00 1.88 0.00 0.00 0.00 179.25 181.70 1j3u h TYR 204 N 0.39 -0.01 -1.00 0.00 0.05 -1.15 -3.00 116.97 112.26 1j3u h TYR 204 Ca 0.07 -0.00 0.19 0.00 0.05 0.00 0.00 58.73 59.04 1j3u h TYR 204 Cb 0.58 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.22 1j3u h TYR 204 CO 0.02 0.73 0.61 0.00 -1.05 0.00 0.00 178.16 178.47 1j3u h ALA 205 N 0.18 1.76 -0.06 3.88 0.00 -1.04 -0.99 119.26 122.99 1j3u h ALA 205 Ca -0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1j3u h ALA 205 Cb 0.75 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1j3u h ALA 205 CO 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 179.25 179.07 1j3u h ARG 206 N 0.71 0.15 -0.91 0.00 3.08 -1.01 0.65 114.38 117.06 1j3u h ARG 206 Ca 0.57 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.55 1j3u h ARG 206 Cb 0.95 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.96 1j3u h ARG 206 CO -0.35 0.58 0.58 -0.24 -1.07 0.00 0.00 179.97 179.47 1j3u h VAL 207 N -0.28 1.24 -0.42 2.04 3.04 -1.28 0.12 116.25 120.71 1j3u h VAL 207 Ca 0.01 -0.47 -0.09 0.00 -1.01 0.00 0.00 66.70 65.14 1j3u h VAL 207 Cb 0.54 -0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 29.73 1j3u h VAL 207 CO 0.01 0.24 -0.11 0.40 -1.01 0.00 0.00 177.57 177.11 1j3u h ILE 208 N 1.24 1.25 -0.62 3.17 2.04 -1.14 0.13 117.51 123.58 1j3u h ILE 208 Ca 0.33 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 1j3u h ILE 208 Cb -0.11 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1j3u h ILE 208 CO -0.07 0.39 0.30 0.00 0.00 0.00 0.00 178.15 178.77 1j3u h ALA 209 N 1.21 0.80 0.00 1.87 0.00 -0.05 -0.18 119.26 122.90 1j3u h ALA 209 Ca 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1j3u h ALA 209 Cb 0.57 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1j3u h ALA 209 CO 0.04 0.36 -0.13 -0.09 0.00 0.00 0.00 179.25 179.43 1j3u h ARG 210 N 0.85 0.00 -0.02 0.00 2.43 0.24 -1.94 114.38 115.94 1j3u h ARG 210 Ca 0.21 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.25 1j3u h ARG 210 Cb 0.12 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1j3u h ARG 210 CO -0.03 0.13 -0.52 -0.44 -1.51 0.00 0.00 179.97 177.61 1j3u h ASP 211 N 0.00 0.49 -0.87 -3.80 3.32 0.66 -2.64 116.42 113.58 1j3u h ASP 211 Ca -0.00 -0.74 0.15 0.00 0.02 0.00 0.00 57.03 56.47 1j3u h ASP 211 Cb 0.38 -0.15 -0.10 0.00 0.22 0.00 0.00 39.33 39.69 1j3u h ASP 211 CO 0.02 1.16 0.45 0.40 -1.72 0.00 0.00 179.24 179.55 1j3u h ILE 212 N -0.13 0.72 0.60 0.35 2.04 -0.36 0.24 117.51 120.96 1j3u h ILE 212 Ca -0.06 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1j3u h ILE 212 Cb 1.22 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1j3u h ILE 212 CO 0.10 0.12 -0.29 -0.08 0.00 0.00 0.00 178.15 178.00 1j3u h GLU 213 N 0.63 -0.78 -0.69 2.37 4.81 -1.37 -1.22 114.58 118.34 1j3u h GLU 213 Ca 0.48 0.05 0.15 0.00 -0.13 0.00 0.00 59.36 59.91 1j3u h GLU 213 Cb 0.70 0.18 -0.11 0.00 0.63 0.00 0.00 28.75 30.14 1j3u h GLU 213 CO -0.37 -0.52 0.08 0.00 -0.73 0.00 0.00 179.01 177.47 1j3u h ARG 214 N -0.82 0.18 0.21 1.92 3.08 -0.99 -0.65 114.38 117.31 1j3u h ARG 214 Ca -0.08 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1j3u h ARG 214 Cb 0.62 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1j3u h ARG 214 CO 0.14 0.12 -0.10 0.82 -1.07 0.00 0.00 179.97 179.87 1j3u h ILE 215 N 0.18 0.86 -0.68 2.04 2.04 -0.55 -3.02 117.51 118.37 1j3u h ILE 215 Ca 0.38 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1j3u h ILE 215 Cb 0.64 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 1j3u h ILE 215 CO -0.54 0.09 0.39 0.00 0.00 0.00 0.00 178.15 178.09 1j3u h ALA 216 N 0.26 0.91 0.00 1.87 0.00 -0.76 -1.58 119.26 119.96 1j3u h ALA 216 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1j3u h ALA 216 Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1j3u h ALA 216 CO 0.05 0.09 0.00 -0.91 0.00 0.00 0.00 179.25 178.47 1j3u h ASN 217 N 0.73 0.00 0.43 0.00 -0.26 -1.09 -0.86 115.58 114.52 1j3u h ASN 217 Ca 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.04 1j3u h ASN 217 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1j3u h ASN 217 CO -0.17 0.00 -0.00 0.35 -1.06 0.00 0.00 177.43 176.55 1j3u n THR 218 N -2.57 0.00 -0.06 2.81 -2.24 -0.59 -3.34 114.28 108.28 1j3u n THR 218 Ca -0.01 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1j3u n THR 218 Cb 0.10 -0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 67.84 1j3u n THR 218 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1j3u h ARG 219 N 0.02 0.79 -0.75 -0.78 3.08 -1.26 -3.34 114.38 112.14 1j3u h ARG 219 Ca 0.00 -0.49 0.15 0.00 0.07 0.00 0.00 59.98 59.71 1j3u h ARG 219 Cb 0.22 0.05 -0.14 0.00 0.08 0.00 0.00 29.97 30.18 1j3u h ARG 219 CO 0.00 1.12 -0.21 -0.97 -1.07 0.00 0.00 179.97 178.84 1j3u h ASN 220 N 0.61 -0.77 0.52 7.04 -1.24 -1.75 0.50 115.58 120.49 1j3u h ASN 220 Ca 0.02 0.23 -0.00 0.00 0.71 0.00 0.00 56.30 57.26 1j3u h ASN 220 Cb 1.11 0.49 -0.00 0.00 0.73 0.00 0.00 38.32 40.65 1j3u h ASN 220 CO 0.11 -0.26 -0.00 0.78 -1.29 0.00 0.00 177.43 176.77 1j3u h ASN 221 N -0.01 0.00 1.76 1.15 2.35 -1.82 -2.12 115.58 116.89 1j3u h ASN 221 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1j3u h ASN 221 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1j3u h ASN 221 CO -0.78 0.00 -0.18 -0.07 -1.65 0.00 0.00 177.43 174.75 1j3u h LEU 222 N 0.00 0.00 -1.86 1.61 4.07 -1.08 -3.28 115.31 114.77 1j3u h LEU 222 Ca -0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1j3u h LEU 222 Cb 0.26 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 1j3u h LEU 222 CO 0.00 0.00 -0.08 1.88 -1.08 0.00 0.00 178.44 179.17 1j3u h TYR 223 N 0.00 0.00 -3.48 1.13 0.99 -1.20 -3.39 116.97 111.02 1j3u h TYR 223 Ca 0.00 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.14 1j3u h TYR 223 Cb 0.97 0.00 -0.08 0.00 1.00 0.00 0.00 36.73 38.62 1j3u h TYR 223 CO 0.00 0.08 0.68 -0.51 -0.00 0.00 0.00 178.16 178.41 1j3u s ASP 224 N -7.01 6.72 0.36 3.88 1.01 -1.24 -0.01 116.67 120.38 1j3u s ASP 224 Ca -0.05 0.66 0.07 0.00 0.71 0.00 0.00 52.55 53.95 1j3u s ASP 224 Cb 0.16 -2.49 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 1j3u s ASP 224 CO 0.68 -0.90 0.36 0.27 0.21 0.00 0.00 175.17 175.79 1j3u s ILE 225 N 3.60 3.43 -0.17 0.77 -4.36 0.11 -4.78 121.20 119.80 1j3u s ILE 225 Ca 0.40 -1.26 0.17 0.00 -0.26 0.00 0.00 60.65 59.70 1j3u s ILE 225 Cb -0.12 -3.18 0.41 0.00 1.25 0.00 0.00 42.46 40.82 1j3u s ILE 225 CO 0.19 -0.12 1.28 -0.46 0.24 0.00 0.00 174.94 176.07 1j3u n ASN 226 N -1.49 2.87 -4.65 4.36 6.94 -1.26 -0.89 115.26 121.13 1j3u n ASN 226 Ca 0.00 -3.19 -0.51 0.00 -0.02 0.00 0.00 54.58 50.86 1j3u n ASN 226 Cb 0.60 -0.50 -0.06 0.00 -2.36 0.00 0.00 39.78 37.46 1j3u n ASN 226 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 1j3u n MET 227 N -1.05 1.58 -0.41 -3.83 1.56 -1.26 -1.66 117.12 112.05 1j3u n MET 227 Ca 0.20 0.57 0.00 0.00 -0.27 0.00 0.00 57.70 58.20 1j3u n MET 227 Cb 0.77 -2.29 0.00 0.00 2.15 0.00 0.00 33.22 33.85 1j3u n MET 227 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1j3u n GLY 228 N 3.48 1.05 0.03 -5.12 0.00 -1.26 -4.91 105.19 98.46 1j3u n GLY 228 Ca 0.21 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1j3u n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3u n ALA 229 N -1.06 3.48 -0.97 4.61 0.00 -0.67 -4.30 120.51 121.60 1j3u n ALA 229 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1j3u n ALA 229 Cb 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1j3u n ALA 229 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j3u n THR 230 N -1.81 0.00 0.00 0.00 -2.24 -1.26 -1.51 114.28 107.46 1j3u n THR 230 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1j3u n THR 230 Cb 0.40 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1j3u n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j3u n ALA 231 N 6.55 0.00 -0.09 6.98 0.00 -1.26 -4.36 120.51 128.34 1j3u n ALA 231 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1j3u n ALA 231 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 1j3u n ALA 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1j3u h VAL 232 N 0.00 1.30 0.00 0.00 2.07 -1.89 -3.45 116.25 114.28 1j3u h VAL 232 Ca 0.00 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1j3u h VAL 232 Cb 0.00 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1j3u h VAL 232 CO 0.00 0.50 0.00 0.61 0.02 0.00 0.00 177.57 178.70 1j3u n GLY 233 N 0.25 0.54 0.07 2.17 0.00 -0.57 -4.74 105.19 102.91 1j3u n GLY 233 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1j3u n GLY 233 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1j3u h THR 234 N 0.00 0.00 -0.11 2.61 1.35 -1.85 -3.08 112.91 111.82 1j3u h THR 234 Ca 0.00 -0.52 -0.05 0.00 -0.55 0.00 0.00 66.41 65.29 1j3u h THR 234 Cb 0.00 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 1j3u h THR 234 CO 0.00 0.00 -0.04 0.61 -0.25 0.00 0.00 175.52 175.84 1j3u n GLY 235 N 1.32 0.44 3.49 5.82 0.00 -1.04 -4.88 105.19 110.34 1j3u n GLY 235 Ca 0.03 -0.10 -0.63 0.00 0.00 0.00 0.00 46.02 45.33 1j3u n GLY 235 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j3u n LEU 236 N -0.27 1.10 0.00 0.99 7.94 -1.26 0.58 117.00 126.07 1j3u n LEU 236 Ca -0.02 0.90 0.00 0.00 -1.11 0.00 0.00 56.01 55.78 1j3u n LEU 236 Cb 0.30 -0.92 0.00 0.00 0.53 0.00 0.00 43.42 43.33 1j3u n LEU 236 CO 0.04 -0.78 0.00 0.59 -1.11 0.00 0.00 177.39 176.13 1j3u n ASN 237 N 6.06 0.00 -4.77 1.96 3.02 -1.26 -5.01 115.26 115.27 1j3u n ASN 237 Ca 0.43 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.58 1j3u n ASN 237 Cb -0.02 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 1j3u n ASN 237 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j3u s ALA 238 N -2.91 3.33 -0.23 5.41 0.00 0.19 -5.00 121.76 122.54 1j3u s ALA 238 Ca 0.00 1.00 -0.21 0.00 0.00 0.00 0.00 51.96 52.75 1j3u s ALA 238 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1j3u s ALA 238 CO 0.00 -0.40 0.65 0.34 0.00 0.00 0.00 175.76 176.35 1j3u s ASP 239 N -0.91 6.65 0.57 0.00 3.68 -1.26 -4.95 116.67 120.45 1j3u s ASP 239 Ca 0.50 0.79 0.29 0.00 2.13 0.00 0.00 52.55 56.27 1j3u s ASP 239 Cb -0.33 -2.35 1.47 0.00 -1.45 0.00 0.00 42.92 40.26 1j3u s ASP 239 CO 0.42 -0.35 1.91 -0.65 0.13 0.00 0.00 175.17 176.63 1j3u h PRO 240 N 7.72 0.00 0.00 4.34 0.11 -1.96 0.42 132.00 142.64 1j3u h PRO 240 Ca -0.28 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.67 1j3u h PRO 240 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1j3u h PRO 240 CO 0.78 0.00 -0.75 1.49 -0.21 0.00 0.00 178.00 179.31 1j3u h GLU 241 N 0.00 0.00 0.08 1.05 4.81 -1.98 -0.72 114.58 117.82 1j3u h GLU 241 Ca 0.27 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1j3u h GLU 241 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1j3u h GLU 241 CO -0.00 0.75 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.07 1j3u h TYR 242 N 0.00 -0.10 0.33 0.92 3.20 -0.53 -1.44 116.97 119.35 1j3u h TYR 242 Ca -0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1j3u h TYR 242 Cb 1.38 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.67 1j3u h TYR 242 CO 0.00 0.32 -0.35 0.82 -1.64 0.00 0.00 178.16 177.32 1j3u h ILE 243 N -0.55 0.00 -0.90 1.81 2.04 -1.31 0.53 117.51 119.12 1j3u h ILE 243 Ca -0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.96 1j3u h ILE 243 Cb 0.47 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.42 1j3u h ILE 243 CO 0.02 0.00 -0.51 -1.28 0.00 0.00 0.00 178.15 176.38 1j3u h SER 244 N -0.68 -1.84 -0.37 1.72 0.87 -1.20 0.10 113.55 112.15 1j3u h SER 244 Ca -0.04 0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1j3u h SER 244 Cb 0.59 0.85 -0.02 0.00 -0.44 0.00 0.00 62.40 63.38 1j3u h SER 244 CO -0.05 -0.27 0.20 0.40 -0.53 0.00 0.00 176.83 176.58 1j3u h ILE 245 N -0.06 1.15 -0.65 2.23 2.04 -1.00 -2.71 117.51 118.50 1j3u h ILE 245 Ca 0.21 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 1j3u h ILE 245 Cb 0.50 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1j3u h ILE 245 CO -0.90 0.15 0.11 1.62 0.00 0.00 0.00 178.15 179.13 1j3u h VAL 246 N 0.48 1.26 -0.64 1.67 3.04 0.13 -1.76 116.25 120.42 1j3u h VAL 246 Ca 0.13 -1.01 -0.02 0.00 -1.01 0.00 0.00 66.70 64.80 1j3u h VAL 246 Cb 0.06 0.64 -0.03 0.00 -2.01 0.00 0.00 31.29 29.95 1j3u h VAL 246 CO -0.02 0.38 0.33 0.74 -1.01 0.00 0.00 177.57 177.98 1j3u h THR 247 N 0.99 1.21 -0.31 3.17 2.02 -0.79 -0.18 112.91 119.03 1j3u h THR 247 Ca 0.20 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.74 1j3u h THR 247 Cb 0.42 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1j3u h THR 247 CO 0.01 0.24 -0.10 -0.08 0.37 0.00 0.00 175.52 175.95 1j3u h GLU 248 N 0.87 0.51 -0.19 6.66 4.81 -1.28 -2.35 114.58 123.62 1j3u h GLU 248 Ca 0.22 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 59.14 1j3u h GLU 248 Cb 0.08 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1j3u h GLU 248 CO -0.03 0.62 -0.58 0.45 -0.73 0.00 0.00 179.01 178.74 1j3u h HIS 249 N 0.48 0.77 -0.16 0.92 3.86 -0.64 -2.64 115.15 117.73 1j3u h HIS 249 Ca 0.09 -0.28 -0.02 0.00 -1.16 0.00 0.00 60.37 59.00 1j3u h HIS 249 Cb 0.47 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1j3u h HIS 249 CO 0.02 1.04 0.01 -0.07 0.86 0.00 0.00 177.93 179.78 1j3u h LEU 250 N 0.46 0.27 -0.54 2.43 3.38 -0.83 -2.01 115.31 118.46 1j3u h LEU 250 Ca 0.00 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.69 1j3u h LEU 250 Cb 1.14 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1j3u h LEU 250 CO 0.11 0.49 0.36 0.00 0.09 0.00 0.00 178.44 179.49 1j3u h ALA 251 N 0.79 0.68 0.14 1.53 0.00 -1.46 0.91 119.26 121.85 1j3u h ALA 251 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1j3u h ALA 251 Cb 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1j3u h ALA 251 CO 0.01 0.13 -0.07 0.87 0.00 0.00 0.00 179.25 180.18 1j3u h LYS 252 N 0.73 -0.19 0.00 0.00 1.79 -1.39 -0.26 116.57 117.25 1j3u h LYS 252 Ca 0.20 0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.58 1j3u h LYS 252 Cb -0.09 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 1j3u h LYS 252 CO -0.04 -0.10 -0.50 0.74 -1.08 0.00 0.00 179.45 178.46 1j3u h PHE 253 N -0.22 0.00 0.06 -1.35 0.05 -1.29 -3.27 116.94 110.92 1j3u h PHE 253 Ca -0.02 0.00 -0.25 0.00 3.82 0.00 0.00 57.97 61.52 1j3u h PHE 253 Cb 0.17 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.10 1j3u h PHE 253 CO -0.06 0.50 -1.19 0.66 -0.18 0.00 0.00 178.31 178.04 1j3u h SER 254 N 0.00 0.20 0.00 2.17 4.64 -0.79 -3.48 113.55 116.29 1j3u h SER 254 Ca -0.01 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1j3u h SER 254 Cb 1.29 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1j3u h SER 254 CO 0.07 1.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.82 1j3u n GLY 255 N 1.46 0.70 3.73 -0.77 0.00 -0.12 -5.01 105.19 105.19 1j3u n GLY 255 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1j3u n GLY 255 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j3u s HIS 256 N -2.60 3.07 -0.91 1.61 3.76 -1.19 -5.00 115.29 114.02 1j3u s HIS 256 Ca 0.00 -0.00 -0.07 0.00 -0.15 0.00 0.00 55.06 54.84 1j3u s HIS 256 Cb 0.00 -1.54 -0.06 0.00 1.11 0.00 0.00 32.58 32.09 1j3u s HIS 256 CO 0.00 0.50 2.10 -2.30 -0.85 0.00 0.00 174.74 174.19 1j3u n PRO 257 N 0.29 2.05 -1.99 8.40 -0.02 -1.26 -4.46 135.00 138.02 1j3u n PRO 257 Ca -0.09 -1.49 -0.41 0.00 -2.02 0.00 0.00 63.50 59.49 1j3u n PRO 257 Cb 0.53 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 1j3u n PRO 257 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1j3u s LEU 258 N 0.17 4.38 -0.02 2.45 1.43 -1.26 -4.84 118.68 121.00 1j3u s LEU 258 Ca 0.41 2.80 0.04 0.00 -1.03 0.00 0.00 54.13 56.35 1j3u s LEU 258 Cb 0.10 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.67 1j3u s LEU 258 CO -0.02 -0.69 -0.15 -0.13 0.23 0.00 0.00 176.35 175.58 1j3u s ARG 259 N -1.45 1.34 -0.26 1.70 0.52 0.99 -4.85 118.95 116.93 1j3u s ARG 259 Ca 0.53 -0.54 -0.29 0.00 -0.52 0.00 0.00 55.73 54.91 1j3u s ARG 259 Cb -0.43 -1.26 0.00 0.00 0.52 0.00 0.00 34.95 33.79 1j3u s ARG 259 CO 0.53 0.30 1.23 0.45 0.02 0.00 0.00 175.30 177.83 1j3u s SER 260 N -0.24 6.82 0.22 0.23 0.15 -1.26 -0.71 113.70 118.91 1j3u s SER 260 Ca 0.03 1.32 -0.29 0.00 0.70 0.00 0.00 55.95 57.72 1j3u s SER 260 Cb -0.07 -2.54 -0.16 0.00 -1.71 0.00 0.00 66.02 61.54 1j3u s SER 260 CO 0.00 -0.93 0.73 0.00 1.20 0.00 0.00 173.24 174.24 1j3u n ALA 261 N 7.13 -1.90 0.15 5.45 0.00 -0.07 -4.87 120.51 126.39 1j3u n ALA 261 Ca 0.14 0.43 -0.00 0.00 0.00 0.00 0.00 53.44 54.00 1j3u n ALA 261 Cb 0.46 -1.77 0.20 0.00 0.00 0.00 0.00 19.45 18.34 1j3u n ALA 261 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1j3u h GLN 262 N 1.49 0.00 -2.99 0.00 4.20 -1.92 -3.36 115.11 112.52 1j3u h GLN 262 Ca -0.33 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 57.76 1j3u h GLN 262 Cb 1.40 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.78 1j3u h GLN 262 CO 0.59 0.57 -0.71 -1.58 -0.67 0.00 0.00 178.83 177.03 1j3u s HIS 263 N -3.70 2.45 0.61 2.96 2.46 -1.26 -4.98 115.29 113.83 1j3u s HIS 263 Ca -0.01 -2.76 0.28 0.00 0.47 0.00 0.00 55.06 53.04 1j3u s HIS 263 Cb 0.13 -2.11 1.48 0.00 -0.13 0.00 0.00 32.58 31.95 1j3u s HIS 263 CO 0.75 -0.72 1.87 -0.07 -2.47 0.00 0.00 174.74 174.10 1j3u h LEU 264 N 6.22 0.00 -0.03 8.88 4.07 -1.80 0.12 115.31 132.77 1j3u h LEU 264 Ca 0.05 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.90 1j3u h LEU 264 Cb 0.88 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.62 1j3u h LEU 264 CO 0.56 0.00 -0.42 0.58 -1.08 0.00 0.00 178.44 178.08 1j3u h VAL 265 N 0.00 1.45 -0.62 1.22 2.07 -1.83 -1.84 116.25 116.70 1j3u h VAL 265 Ca 0.15 -1.91 0.01 0.00 0.82 0.00 0.00 66.70 65.77 1j3u h VAL 265 Cb 1.07 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 33.31 1j3u h VAL 265 CO -0.00 0.55 0.41 -0.78 0.02 0.00 0.00 177.57 177.76 1j3u h ASP 266 N -0.19 0.71 0.95 0.57 3.58 -1.19 -1.52 116.42 119.34 1j3u h ASP 266 Ca -0.04 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1j3u h ASP 266 Cb 1.11 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1j3u h ASP 266 CO 0.08 0.52 0.00 0.00 -2.88 0.00 0.00 179.24 176.96 1j3u h ALA 267 N 1.22 1.00 0.00 -0.78 0.00 -1.17 -1.95 119.26 117.59 1j3u h ALA 267 Ca 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1j3u h ALA 267 Cb -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1j3u h ALA 267 CO -0.05 0.00 -1.27 2.41 0.00 0.00 0.00 179.25 180.34 1j3u n THR 268 N -2.43 0.67 -0.01 0.00 -1.04 -0.61 -4.51 114.28 106.35 1j3u n THR 268 Ca 0.02 -0.58 0.02 0.00 -2.04 0.00 0.00 64.05 61.47 1j3u n THR 268 Cb 0.29 -0.38 -0.06 0.00 -1.82 0.00 0.00 70.33 68.36 1j3u n THR 268 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j3u n GLN 269 N -2.66 1.00 -3.12 -2.82 10.64 -0.95 -4.53 117.38 114.93 1j3u n GLN 269 Ca -0.04 -0.05 -0.37 0.00 -1.83 0.00 0.00 57.00 54.71 1j3u n GLN 269 Cb 0.63 -1.18 -0.06 0.00 -0.86 0.00 0.00 30.24 28.77 1j3u n GLN 269 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1j3u s ASN 270 N -3.17 7.13 -0.04 2.61 0.01 -0.74 -4.43 114.94 116.31 1j3u s ASN 270 Ca -0.03 1.42 0.06 0.00 -0.71 0.00 0.00 52.86 53.60 1j3u s ASN 270 Cb 0.04 -2.42 0.09 0.00 0.41 0.00 0.00 41.25 39.37 1j3u s ASN 270 CO 0.31 0.12 0.98 0.35 -1.51 0.00 0.00 177.10 177.36 1j3u n THR 271 N 1.12 1.07 0.34 1.60 -2.24 -1.26 -4.80 114.28 110.10 1j3u n THR 271 Ca -0.05 -1.19 0.18 0.00 -2.27 0.00 0.00 64.05 60.72 1j3u n THR 271 Cb 0.50 0.33 0.97 0.00 -2.10 0.00 0.00 70.33 70.04 1j3u n THR 271 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1j3u h ASP 272 N 0.00 0.00 0.59 3.42 2.03 -1.96 -1.34 116.42 119.17 1j3u h ASP 272 Ca 0.00 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.13 1j3u h ASP 272 Cb 0.78 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.27 1j3u h ASP 272 CO 0.00 0.00 -0.77 0.00 -1.03 0.00 0.00 179.24 177.44 1j3u h TYR 274 N 0.08 0.99 0.00 0.00 -1.99 -1.64 -2.23 116.97 112.19 1j3u h TYR 274 Ca -0.02 -0.44 -0.05 0.00 2.00 0.00 0.00 58.73 60.21 1j3u h TYR 274 Cb 1.36 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.93 1j3u h TYR 274 CO 0.02 1.27 -0.23 1.79 -0.00 0.00 0.00 178.16 181.00 1j3u h THR 275 N 0.44 1.07 -0.37 -2.88 1.35 -1.60 -0.99 112.91 109.93 1j3u h THR 275 Ca -0.05 -0.83 -0.13 0.00 -0.55 0.00 0.00 66.41 64.85 1j3u h THR 275 Cb 1.36 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 1j3u h THR 275 CO 0.15 0.23 -0.31 -0.08 -0.25 0.00 0.00 175.52 175.26 1j3u h GLU 276 N 0.00 0.81 -0.05 4.72 4.81 -1.22 -0.03 114.58 123.61 1j3u h GLU 276 Ca -0.00 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1j3u h GLU 276 Cb 0.44 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1j3u h GLU 276 CO 0.03 1.00 -0.14 0.28 -0.73 0.00 0.00 179.01 179.45 1j3u h VAL 277 N 0.68 1.44 -0.63 0.32 2.07 -0.80 -2.74 116.25 116.58 1j3u h VAL 277 Ca 0.08 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.11 1j3u h VAL 277 Cb 0.85 2.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 1j3u h VAL 277 CO 0.07 0.42 0.42 -1.28 0.02 0.00 0.00 177.57 177.22 1j3u h SER 278 N -0.33 0.68 -0.46 0.57 0.87 -1.19 -1.27 113.55 112.41 1j3u h SER 278 Ca -0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1j3u h SER 278 Cb 0.75 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 1j3u h SER 278 CO 0.03 0.48 0.26 0.28 -0.53 0.00 0.00 176.83 177.35 1j3u h SER 279 N 0.80 0.57 -0.09 6.23 0.02 -0.95 0.09 113.55 120.21 1j3u h SER 279 Ca 0.24 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1j3u h SER 279 Cb -0.00 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1j3u h SER 279 CO -0.06 0.49 -0.19 0.00 -1.14 0.00 0.00 176.83 175.93 1j3u h ALA 280 N 1.10 1.18 -0.12 3.77 0.00 -1.02 -2.09 119.26 122.08 1j3u h ALA 280 Ca 0.16 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1j3u h ALA 280 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1j3u h ALA 280 CO -0.03 0.52 -0.41 -0.07 0.00 0.00 0.00 179.25 179.27 1j3u h LEU 281 N 0.44 0.57 -0.17 0.00 3.38 -0.94 -2.50 115.31 116.08 1j3u h LEU 281 Ca 0.07 -0.61 0.03 0.00 0.09 0.00 0.00 57.88 57.46 1j3u h LEU 281 Cb 0.58 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1j3u h LEU 281 CO 0.04 1.08 -0.00 0.50 0.09 0.00 0.00 178.44 180.15 1j3u h LYS 282 N 0.09 0.05 -0.36 1.13 3.64 -0.88 0.00 116.57 120.24 1j3u h LYS 282 Ca -0.02 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1j3u h LYS 282 Cb 1.04 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.80 1j3u h LYS 282 CO 0.09 0.03 0.09 0.28 -2.27 0.00 0.00 179.45 177.67 1j3u h VAL 283 N 0.05 0.84 -0.12 2.00 2.07 -1.41 -0.46 116.25 119.23 1j3u h VAL 283 Ca 0.08 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1j3u h VAL 283 Cb 0.10 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1j3u h VAL 283 CO -0.14 0.04 -0.14 0.00 0.02 0.00 0.00 177.57 177.35 1j3u h MET 285 N -0.18 0.00 0.03 0.00 2.86 -0.26 0.11 114.93 117.49 1j3u h MET 285 Ca 0.09 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1j3u h MET 285 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1j3u h MET 285 CO -0.23 0.02 -0.01 0.82 1.06 0.00 0.00 176.91 178.57 1j3u h ILE 286 N 0.00 1.18 0.25 -1.22 2.04 0.22 0.85 117.51 120.82 1j3u h ILE 286 Ca -0.00 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1j3u h ILE 286 Cb 0.06 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1j3u h ILE 286 CO 0.00 0.17 -0.18 0.78 0.00 0.00 0.00 178.15 178.92 1j3u h ASN 287 N -0.33 -0.46 -0.68 1.72 2.35 -0.72 -2.00 115.58 115.47 1j3u h ASN 287 Ca -0.00 0.03 0.15 0.00 -0.55 0.00 0.00 56.30 55.94 1j3u h ASN 287 Cb 0.31 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 1j3u h ASN 287 CO 0.01 -0.28 0.46 0.24 -1.65 0.00 0.00 177.43 176.21 1j3u h MET 288 N -0.43 0.24 -0.06 0.81 2.86 -0.69 -1.80 114.93 115.86 1j3u h MET 288 Ca -0.02 -0.01 -0.20 0.00 -2.06 0.00 0.00 59.70 57.41 1j3u h MET 288 Cb 0.37 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.99 1j3u h MET 288 CO 0.00 0.16 -0.75 1.03 1.06 0.00 0.00 176.91 178.41 1j3u h SER 289 N 0.25 0.77 -0.62 1.22 0.87 -0.28 -2.09 113.55 113.66 1j3u h SER 289 Ca 0.33 -0.70 0.05 0.00 -1.23 0.00 0.00 61.79 60.25 1j3u h SER 289 Cb 0.94 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 62.62 1j3u h SER 289 CO -0.07 1.35 0.34 0.50 -0.53 0.00 0.00 176.83 178.42 1j3u h LYS 290 N 0.25 0.62 -0.97 2.24 3.11 -0.67 0.41 116.57 121.55 1j3u h LYS 290 Ca -0.08 -0.04 0.01 0.00 -2.81 0.00 0.00 60.65 57.73 1j3u h LYS 290 Cb 1.41 -0.14 -0.05 0.00 -1.00 0.00 0.00 32.23 32.46 1j3u h LYS 290 CO 0.15 0.41 0.63 0.82 -2.81 0.00 0.00 179.45 178.65 1j3u h ILE 291 N 0.63 1.25 -0.40 2.00 2.04 -1.31 -1.00 117.51 120.73 1j3u h ILE 291 Ca 0.28 -0.49 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 1j3u h ILE 291 Cb 0.17 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 1j3u h ILE 291 CO -0.17 0.25 -0.13 0.00 0.00 0.00 0.00 178.15 178.10 1j3u h ALA 292 N 1.37 0.55 -0.63 1.87 0.00 -0.54 -0.95 119.26 120.92 1j3u h ALA 292 Ca 0.35 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1j3u h ALA 292 Cb -0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1j3u h ALA 292 CO -0.07 0.45 0.38 -0.91 0.00 0.00 0.00 179.25 179.09 1j3u h ASN 293 N 0.59 0.61 -0.19 0.00 2.35 -0.43 -0.33 115.58 118.18 1j3u h ASN 293 Ca 0.10 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1j3u h ASN 293 Cb 0.66 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 1j3u h ASN 293 CO 0.05 0.42 0.06 0.44 -1.65 0.00 0.00 177.43 176.74 1j3u h ASP 294 N 0.74 0.06 -0.30 5.81 3.45 -0.92 -1.93 116.42 123.33 1j3u h ASP 294 Ca 0.26 0.02 0.04 0.00 0.43 0.00 0.00 57.03 57.78 1j3u h ASP 294 Cb 0.06 0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 38.81 1j3u h ASP 294 CO -0.12 0.06 0.06 -0.07 -1.57 0.00 0.00 179.24 177.61 1j3u h LEU 295 N 0.15 0.02 -1.69 1.55 -0.00 -0.17 0.84 115.31 116.01 1j3u h LEU 295 Ca 0.08 0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.98 1j3u h LEU 295 Cb 0.06 0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 1j3u h LEU 295 CO -0.09 0.05 -0.11 0.03 -0.00 0.00 0.00 178.44 178.32 1j3u h ARG 296 N 0.18 0.06 -0.11 1.13 3.08 -0.93 -1.13 114.38 116.65 1j3u h ARG 296 Ca 0.14 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.04 1j3u h ARG 296 Cb 0.15 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.19 1j3u h ARG 296 CO -0.18 0.17 -0.49 -0.07 -1.07 0.00 0.00 179.97 178.33 1j3u h LEU 297 N 0.05 0.61 0.00 3.04 3.38 -0.51 -2.07 115.31 119.82 1j3u h LEU 297 Ca 0.01 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1j3u h LEU 297 Cb 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1j3u h LEU 297 CO 0.01 1.15 0.00 0.23 0.09 0.00 0.00 178.44 179.92 1j3u n MET 298 N -4.24 0.09 0.00 1.13 2.81 0.20 -2.28 117.12 114.83 1j3u n MET 298 Ca -0.08 0.16 0.06 0.00 -1.81 0.00 0.00 57.70 56.03 1j3u n MET 298 Cb 0.59 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.57 1j3u n MET 298 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1j3u n ALA 299 N -1.43 3.20 -0.75 3.04 0.00 -0.48 -0.19 120.51 123.90 1j3u n ALA 299 Ca 0.06 -0.42 -0.32 0.00 0.00 0.00 0.00 53.44 52.76 1j3u n ALA 299 Cb 0.19 -0.44 0.15 0.00 0.00 0.00 0.00 19.45 19.35 1j3u n ALA 299 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1j3u n SER 300 N -0.62 -0.65 0.00 0.00 3.41 -0.79 -4.60 113.62 110.37 1j3u n SER 300 Ca 0.04 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1j3u n SER 300 Cb 0.23 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 1j3u n SER 300 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j3u n GLY 301 N 0.81 0.08 0.07 5.00 0.00 -1.26 -0.01 105.19 109.87 1j3u n GLY 301 Ca 0.10 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 1j3u n GLY 301 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j3u h PRO 302 N 0.00 -0.03 -0.40 1.61 0.13 -1.85 -3.44 132.00 128.02 1j3u h PRO 302 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 1j3u h PRO 302 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 1j3u h PRO 302 CO 0.00 0.47 -0.37 0.00 -0.23 0.00 0.00 178.00 177.87 1j3u h ARG 303 N -0.55 0.95 -0.48 0.86 2.47 -1.95 -3.32 114.38 112.36 1j3u h ARG 303 Ca -0.00 -0.49 -0.07 0.00 -1.26 0.00 0.00 59.98 58.15 1j3u h ARG 303 Cb 0.51 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.80 1j3u h ARG 303 CO 0.01 1.15 0.07 0.00 0.56 0.00 0.00 179.97 181.76 1j3u n ALA 304 N -2.54 3.78 -3.88 0.04 0.00 -1.26 -5.00 120.51 111.65 1j3u n ALA 304 Ca -0.02 -2.29 -0.16 0.00 0.00 0.00 0.00 53.44 50.97 1j3u n ALA 304 Cb 0.54 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 1j3u n ALA 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j3u n GLY 305 N -0.16 3.26 0.14 0.00 0.00 -1.25 -4.75 105.19 102.43 1j3u n GLY 305 Ca 0.30 -1.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.43 1j3u n GLY 305 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j3u h LEU 306 N 0.00 -0.22 -1.56 0.99 4.07 -1.76 -3.42 115.31 113.42 1j3u h LEU 306 Ca -0.16 0.09 -0.49 0.00 0.08 0.00 0.00 57.88 57.39 1j3u h LEU 306 Cb 0.83 0.17 -0.07 0.00 1.08 0.00 0.00 40.66 42.68 1j3u h LEU 306 CO 0.24 -0.07 -0.84 -0.24 -1.08 0.00 0.00 178.44 176.44 1j3u n SER 307 N -5.22 -1.85 0.08 -0.43 2.88 0.98 -4.88 113.62 105.18 1j3u n SER 307 Ca 0.01 -0.94 -0.16 0.00 -1.33 0.00 0.00 58.87 56.45 1j3u n SER 307 Cb 0.18 -3.30 -0.14 0.00 -0.75 0.00 0.00 64.21 60.20 1j3u n SER 307 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1j3u h GLU 308 N -1.82 0.25 -5.03 -1.46 5.08 -0.93 -3.44 114.58 107.23 1j3u h GLU 308 Ca -0.61 -0.43 -0.38 0.00 -1.00 0.00 0.00 59.36 56.94 1j3u h GLU 308 Cb 1.37 0.16 -0.14 0.00 0.50 0.00 0.00 28.75 30.64 1j3u h GLU 308 CO 0.66 1.14 -0.64 0.96 -1.00 0.00 0.00 179.01 180.12 1j3u s ILE 309 N -2.63 0.92 -0.16 3.13 -4.36 0.73 -1.70 121.20 117.13 1j3u s ILE 309 Ca -0.07 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.31 1j3u s ILE 309 Cb 0.07 -2.44 0.02 0.00 1.25 0.00 0.00 42.46 41.37 1j3u s ILE 309 CO 0.86 -0.23 -0.15 -0.69 0.24 0.00 0.00 174.94 174.97 1j3u s VAL 310 N -3.50 1.70 0.09 8.37 1.01 -0.05 -4.33 120.40 123.69 1j3u s VAL 310 Ca 0.31 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 1j3u s VAL 310 Cb 0.07 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1j3u s VAL 310 CO 0.10 0.46 0.36 -0.76 0.00 0.00 0.00 175.10 175.26 1j3u s LEU 311 N 1.43 4.32 0.22 3.92 1.43 -1.26 -1.45 118.68 127.29 1j3u s LEU 311 Ca 0.05 0.64 -0.30 0.00 -1.03 0.00 0.00 54.13 53.48 1j3u s LEU 311 Cb -0.13 -3.05 -0.09 0.00 0.03 0.00 0.00 46.19 42.94 1j3u s LEU 311 CO -0.11 0.14 1.40 -2.16 0.23 0.00 0.00 176.35 175.85 1j3u s PRO 312 N -2.21 4.31 0.07 1.29 0.04 -1.26 -4.96 135.00 132.27 1j3u s PRO 312 Ca 0.35 2.21 -0.31 0.00 0.04 0.00 0.00 61.00 63.29 1j3u s PRO 312 Cb -0.13 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 1j3u s PRO 312 CO 0.21 -0.38 1.42 0.00 0.04 0.00 0.00 177.00 178.29 1j3u s ALA 313 N 0.20 3.60 -0.01 8.56 0.00 -1.26 -4.90 121.76 127.94 1j3u s ALA 313 Ca 0.60 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1j3u s ALA 313 Cb -0.40 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.14 1j3u s ALA 313 CO 0.40 -0.77 -0.01 0.54 0.00 0.00 0.00 175.76 175.92 1j3u n ARG 314 N 4.62 1.23 -3.46 0.00 5.12 -1.26 -5.00 116.66 117.91 1j3u n ARG 314 Ca 0.12 0.01 -0.38 0.00 -1.93 0.00 0.00 57.85 55.67 1j3u n ARG 314 Cb 0.43 -1.03 -0.06 0.00 -1.16 0.00 0.00 32.46 30.63 1j3u n ARG 314 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1j3u s GLN 315 N -2.03 3.97 -0.04 5.56 2.00 -1.26 -5.02 119.66 122.84 1j3u s GLN 315 Ca -0.02 0.47 -0.30 0.00 -2.00 0.00 0.00 55.36 53.51 1j3u s GLN 315 Cb 0.00 -3.21 -0.06 0.00 0.80 0.00 0.00 33.01 30.54 1j3u s GLN 315 CO 0.04 0.68 1.59 -1.25 -0.50 0.00 0.00 175.29 175.84 1j3u s PRO 316 N -1.12 4.20 1.20 1.67 0.04 -1.26 -4.97 135.00 134.77 1j3u s PRO 316 Ca 0.25 2.13 -0.17 0.00 0.04 0.00 0.00 61.00 63.26 1j3u s PRO 316 Cb -0.17 -3.85 0.23 0.00 0.04 0.00 0.00 34.50 30.74 1j3u s PRO 316 CO 0.15 -0.78 0.53 0.41 0.04 0.00 0.00 177.00 177.34 1j3u n GLY 317 N 4.00 -2.59 3.72 0.56 0.00 -1.26 -4.76 105.19 104.86 1j3u n GLY 317 Ca 0.16 -1.08 -0.61 0.00 0.00 0.00 0.00 46.02 44.49 1j3u n GLY 317 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j3u n SER 318 N -3.48 2.00 -0.16 1.61 2.88 -1.25 -4.75 113.62 110.47 1j3u n SER 318 Ca 0.03 1.11 0.06 0.00 -1.33 0.00 0.00 58.87 58.75 1j3u n SER 318 Cb 0.56 -1.05 0.13 0.00 -0.75 0.00 0.00 64.21 63.09 1j3u n SER 318 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1j3u n SER 319 N 4.92 -0.06 0.00 -3.46 2.88 -1.26 -1.85 113.62 114.79 1j3u n SER 319 Ca 0.28 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1j3u n SER 319 Cb 0.07 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1j3u n SER 319 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1j3u n ILE 320 N -4.52 0.00 -3.32 2.46 -5.35 -1.26 -5.01 119.36 102.36 1j3u n ILE 320 Ca 0.10 -0.25 -0.45 0.00 -0.27 0.00 0.00 62.75 61.88 1j3u n ILE 320 Cb 0.34 1.41 -0.06 0.00 -1.74 0.00 0.00 39.64 39.59 1j3u n ILE 320 CO 0.00 0.00 0.00 -0.32 -1.76 0.00 0.00 176.55 174.47 1j3u s MET 321 N -0.09 2.99 0.70 6.28 1.75 -0.77 -5.07 119.30 125.09 1j3u s MET 321 Ca 0.00 -1.58 -0.12 0.00 -1.25 0.00 0.00 55.69 52.74 1j3u s MET 321 Cb 0.00 -4.25 0.01 0.00 2.84 0.00 0.00 34.83 33.43 1j3u s MET 321 CO 0.00 -1.26 1.08 -1.25 -0.65 0.00 0.00 175.02 172.94 1j3u s PRO 322 N 1.68 2.77 0.00 4.11 0.04 -1.26 -3.94 135.00 138.41 1j3u s PRO 322 Ca 0.04 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1j3u s PRO 322 Cb -0.28 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1j3u s PRO 322 CO 0.04 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.26 1j3u n GLY 323 N -1.36 2.73 3.57 0.56 0.00 -1.26 -5.00 105.19 104.43 1j3u n GLY 323 Ca 0.09 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1j3u n GLY 323 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j3u s LYS 324 N 0.00 3.54 -0.46 1.61 2.20 -1.26 -4.36 119.74 121.01 1j3u s LYS 324 Ca 0.00 0.24 0.03 0.00 -0.36 0.00 0.00 55.97 55.88 1j3u s LYS 324 Cb 0.00 -3.98 0.14 0.00 -1.51 0.00 0.00 37.83 32.48 1j3u s LYS 324 CO 0.00 -1.50 0.26 0.08 -0.36 0.00 0.00 175.35 173.84 1j3u s VAL 325 N 4.47 1.57 0.31 4.02 1.01 -1.26 -4.31 120.40 126.21 1j3u s VAL 325 Ca 0.41 -2.76 -0.30 0.00 0.00 0.00 0.00 61.98 59.34 1j3u s VAL 325 Cb -0.09 -2.09 -0.12 0.00 0.00 0.00 0.00 36.38 34.09 1j3u s VAL 325 CO 0.26 -0.91 1.56 0.59 0.00 0.00 0.00 175.10 176.60 1j3u n ASN 326 N 3.35 3.77 -3.33 3.32 3.02 -1.26 -4.88 115.26 119.25 1j3u n ASN 326 Ca 0.10 1.16 -0.39 0.00 -0.03 0.00 0.00 54.58 55.42 1j3u n ASN 326 Cb 0.35 -1.59 -0.03 0.00 -0.61 0.00 0.00 39.78 37.91 1j3u n ASN 326 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1j3u n PRO 327 N 1.81 3.80 -0.29 3.52 -0.04 -1.26 -4.78 135.00 137.77 1j3u n PRO 327 Ca 0.07 -2.35 0.09 0.00 -0.04 0.00 0.00 63.50 61.28 1j3u n PRO 327 Cb 0.37 -2.78 0.25 0.00 -0.04 0.00 0.00 33.50 31.29 1j3u n PRO 327 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1j3u h VAL 328 N 2.96 0.55 -0.12 0.52 -1.51 -1.95 -2.06 116.25 114.65 1j3u h VAL 328 Ca 0.86 -0.14 -0.01 0.00 -1.23 0.00 0.00 66.70 66.18 1j3u h VAL 328 Cb 0.29 0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 29.54 1j3u h VAL 328 CO 1.76 0.08 0.05 0.24 -1.23 0.00 0.00 177.57 178.46 1j3u h MET 329 N 0.41 0.17 -0.06 5.19 2.86 -1.92 0.15 114.93 121.74 1j3u h MET 329 Ca 0.49 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 58.08 1j3u h MET 329 Cb 0.86 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1j3u h MET 329 CO -0.48 0.25 -0.07 -1.35 1.06 0.00 0.00 176.91 176.31 1j3u h PRO 330 N 0.05 0.08 0.04 -0.22 0.11 -1.82 -1.73 132.00 128.51 1j3u h PRO 330 Ca 0.04 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1j3u h PRO 330 Cb 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1j3u h PRO 330 CO -0.00 0.16 -0.02 0.93 -0.21 0.00 0.00 178.00 178.86 1j3u h GLU 331 N 0.08 -0.05 0.00 1.05 5.08 -0.73 -1.42 114.58 118.59 1j3u h GLU 331 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1j3u h GLU 331 Cb 0.19 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1j3u h GLU 331 CO 0.01 0.32 -0.02 -0.24 -1.00 0.00 0.00 179.01 178.08 1j3u h VAL 332 N -0.42 0.20 -0.04 3.13 3.04 -0.39 -0.13 116.25 121.65 1j3u h VAL 332 Ca -0.00 -0.12 -0.02 0.00 -1.01 0.00 0.00 66.70 65.55 1j3u h VAL 332 Cb 0.39 1.10 -0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1j3u h VAL 332 CO 0.01 0.02 -0.05 -0.03 -1.01 0.00 0.00 177.57 176.50 1j3u h MET 333 N 0.00 0.10 -0.93 4.17 1.85 -0.84 -2.56 114.93 116.72 1j3u h MET 333 Ca -0.00 -0.06 0.07 0.00 -0.61 0.00 0.00 59.70 59.10 1j3u h MET 333 Cb 0.09 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.06 1j3u h MET 333 CO 0.00 0.60 0.59 -0.91 -0.40 0.00 0.00 176.91 176.79 1j3u h ASN 334 N -0.39 0.93 -0.52 1.39 -0.26 0.03 -1.72 115.58 115.04 1j3u h ASN 334 Ca 0.00 0.01 -0.07 0.00 -0.56 0.00 0.00 56.30 55.69 1j3u h ASN 334 Cb 0.59 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.65 1j3u h ASN 334 CO 0.01 0.59 0.04 1.56 -1.06 0.00 0.00 177.43 178.57 1j3u h GLN 335 N 1.06 0.89 -0.85 0.81 4.20 -1.31 -1.96 115.11 117.95 1j3u h GLN 335 Ca 0.40 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1j3u h GLN 335 Cb 0.18 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 1j3u h GLN 335 CO -0.18 0.90 0.55 0.28 -0.67 0.00 0.00 178.83 179.71 1j3u h VAL 336 N 0.76 1.22 -0.95 -0.54 2.07 -0.99 -0.39 116.25 117.43 1j3u h VAL 336 Ca 0.15 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1j3u h VAL 336 Cb 0.47 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1j3u h VAL 336 CO 0.02 0.22 0.62 0.00 0.02 0.00 0.00 177.57 178.45 1j3u h ALA 337 N 1.45 1.42 -0.40 1.67 0.00 -0.80 -0.74 119.26 121.86 1j3u h ALA 337 Ca 0.31 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1j3u h ALA 337 Cb -0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1j3u h ALA 337 CO -0.06 0.46 -0.24 0.74 0.00 0.00 0.00 179.25 180.15 1j3u h PHE 338 N 1.15 0.93 -0.15 0.00 0.05 -0.39 -2.19 116.94 116.34 1j3u h PHE 338 Ca 0.39 -0.22 -0.00 0.00 3.82 0.00 0.00 57.97 61.96 1j3u h PHE 338 Cb 0.08 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 37.81 1j3u h PHE 338 CO -0.00 0.97 0.09 1.96 -0.18 0.00 0.00 178.31 181.14 1j3u h GLN 339 N 0.70 0.21 -0.20 1.51 1.08 -0.11 -2.07 115.11 116.23 1j3u h GLN 339 Ca 0.09 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1j3u h GLN 339 Cb 0.76 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1j3u h GLN 339 CO 0.06 0.20 -0.05 0.28 -0.95 0.00 0.00 178.83 178.36 1j3u h VAL 340 N 0.16 1.16 -0.43 -0.54 2.07 -1.09 0.25 116.25 117.83 1j3u h VAL 340 Ca 0.05 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1j3u h VAL 340 Cb 0.05 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1j3u h VAL 340 CO -0.01 0.21 0.08 -0.26 0.02 0.00 0.00 177.57 177.61 1j3u h PHE 341 N 0.29 0.75 -0.35 1.57 0.04 -1.03 -0.41 116.94 117.80 1j3u h PHE 341 Ca 0.06 -0.10 -0.13 0.00 2.80 0.00 0.00 57.97 60.60 1j3u h PHE 341 Cb 0.29 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1j3u h PHE 341 CO 0.01 0.72 -0.30 0.78 -0.60 0.00 0.00 178.31 178.91 1j3u h GLY 342 N 0.57 0.89 1.19 -1.45 0.00 -0.83 -2.89 103.07 100.55 1j3u h GLY 342 Ca 0.13 -0.89 0.04 0.00 0.00 0.00 0.00 47.33 46.61 1j3u h GLY 342 CO 0.01 0.80 0.46 3.43 0.00 0.00 0.00 176.54 181.24 1j3u h ASN 343 N 0.61 0.70 0.45 0.19 4.21 -0.33 -0.93 115.58 120.49 1j3u h ASN 343 Ca 0.06 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.49 1j3u h ASN 343 Cb 0.88 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.90 1j3u h ASN 343 CO 0.08 0.48 -0.37 -0.78 -1.29 0.00 0.00 177.43 175.55 1j3u h ASP 344 N 0.82 0.00 -0.01 5.81 1.82 -0.89 -0.02 116.42 123.95 1j3u h ASP 344 Ca 0.28 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.67 1j3u h ASP 344 Cb 0.09 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.11 1j3u h ASP 344 CO -0.08 0.37 -0.93 0.25 -1.61 0.00 0.00 179.24 177.24 1j3u h LEU 345 N 0.00 0.87 -0.03 2.28 6.46 -1.01 0.12 115.31 124.00 1j3u h LEU 345 Ca -0.00 -0.65 -0.00 0.00 -0.12 0.00 0.00 57.88 57.11 1j3u h LEU 345 Cb 0.69 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1j3u h LEU 345 CO 0.05 1.44 0.01 0.74 -0.62 0.00 0.00 178.44 180.07 1j3u h THR 346 N 0.43 1.09 -0.48 1.05 2.02 -0.97 -0.16 112.91 115.89 1j3u h THR 346 Ca -0.09 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1j3u h THR 346 Cb 1.56 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 1j3u h THR 346 CO 0.18 0.07 0.29 0.40 0.37 0.00 0.00 175.52 176.83 1j3u h ILE 347 N -0.06 1.15 0.16 3.11 2.04 -0.97 0.24 117.51 123.19 1j3u h ILE 347 Ca 0.01 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1j3u h ILE 347 Cb 0.10 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1j3u h ILE 347 CO -0.00 0.15 -0.31 0.74 0.00 0.00 0.00 178.15 178.73 1j3u h THR 348 N 0.64 0.34 -0.69 -0.27 2.02 -0.59 0.12 112.91 114.48 1j3u h THR 348 Ca 0.17 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.40 1j3u h THR 348 Cb -0.01 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 66.68 1j3u h THR 348 CO -0.03 0.00 0.40 0.28 0.37 0.00 0.00 175.52 176.54 1j3u h SER 349 N -0.56 0.62 0.31 4.18 0.02 -0.59 -1.25 113.55 116.28 1j3u h SER 349 Ca 0.02 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1j3u h SER 349 Cb 0.57 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1j3u h SER 349 CO -0.16 0.41 -0.44 0.00 -1.14 0.00 0.00 176.83 175.50 1j3u h ALA 350 N 1.34 1.12 -0.13 3.77 0.00 -0.29 -2.83 119.26 122.23 1j3u h ALA 350 Ca 0.30 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1j3u h ALA 350 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1j3u h ALA 350 CO -0.16 0.60 -0.09 1.03 0.00 0.00 0.00 179.25 180.63 1j3u h SER 351 N 0.14 0.31 0.91 0.00 0.87 -0.27 -3.11 113.55 112.41 1j3u h SER 351 Ca 0.01 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1j3u h SER 351 Cb 0.84 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1j3u h SER 351 CO 0.07 0.69 0.00 1.05 -0.53 0.00 0.00 176.83 178.10 1j3u h GLU 352 N -0.06 0.00 0.00 2.24 -0.00 -1.23 -2.80 114.58 112.73 1j3u h GLU 352 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.39 1j3u h GLU 352 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.33 1j3u h GLU 352 CO 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 179.01 179.03 1j3u n ALA 353 N -1.87 2.48 -1.45 1.06 0.00 -1.07 -4.87 120.51 114.78 1j3u n ALA 353 Ca 0.02 -0.15 -0.36 0.00 0.00 0.00 0.00 53.44 52.95 1j3u n ALA 353 Cb 0.28 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.42 1j3u n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j3u n GLY 354 N 0.64 -0.35 2.86 0.00 0.00 -1.06 -4.85 105.19 102.42 1j3u n GLY 354 Ca 0.18 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1j3u n GLY 354 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j3u s GLN 355 N -3.18 0.03 0.46 1.61 -0.21 -1.20 -5.00 119.66 112.17 1j3u s GLN 355 Ca 0.75 0.22 0.00 0.00 0.02 0.00 0.00 55.36 56.35 1j3u s GLN 355 Cb -0.37 -0.16 0.00 0.00 1.00 0.00 0.00 33.01 33.49 1j3u s GLN 355 CO 0.48 -0.13 0.00 1.19 -2.12 0.00 0.00 175.29 174.72 1j3u n PHE 356 N 3.91 0.00 1.90 0.91 3.72 -1.26 -1.59 117.46 125.05 1j3u n PHE 356 Ca -0.24 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.29 1j3u n PHE 356 Cb 0.53 0.00 0.71 0.00 -0.94 0.00 0.00 39.48 39.78 1j3u n PHE 356 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1j3u n GLU 357 N 14.00 1.10 -3.67 -1.08 -0.58 -1.26 -4.81 120.64 124.35 1j3u n GLU 357 Ca 0.00 -0.15 -0.10 0.00 -0.42 0.00 0.00 57.16 56.48 1j3u n GLU 357 Cb 0.00 -1.40 -0.09 0.00 -0.57 0.00 0.00 31.44 29.38 1j3u n GLU 357 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1j3u s LEU 358 N -1.79 -0.46 -0.54 -4.62 2.96 -0.62 -3.97 118.68 109.64 1j3u s LEU 358 Ca 0.38 1.23 -0.18 0.00 -0.22 0.00 0.00 54.13 55.33 1j3u s LEU 358 Cb 0.18 1.97 0.09 0.00 0.50 0.00 0.00 46.19 48.92 1j3u s LEU 358 CO 0.29 -0.21 0.59 0.21 -1.32 0.00 0.00 176.35 175.91 1j3u s ASN 359 N 1.10 6.19 0.00 3.68 3.84 -1.26 -3.22 114.94 125.27 1j3u s ASN 359 Ca -0.06 -1.31 0.24 0.00 0.21 0.00 0.00 52.86 51.94 1j3u s ASN 359 Cb -0.06 -2.26 1.22 0.00 -0.55 0.00 0.00 41.25 39.60 1j3u s ASN 359 CO -0.11 -0.93 1.80 1.33 -2.79 0.00 0.00 177.10 176.41 1j3u n VAL 360 N 5.46 0.23 0.13 -5.21 0.24 -1.26 -3.30 118.33 114.62 1j3u n VAL 360 Ca -0.10 0.06 0.07 0.00 -2.04 0.00 0.00 64.34 62.33 1j3u n VAL 360 Cb 0.43 -0.66 0.24 0.00 -1.47 0.00 0.00 33.84 32.39 1j3u n VAL 360 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1j3u n MET 361 N -1.28 2.74 -0.32 7.34 2.81 -1.26 -3.96 117.12 123.19 1j3u n MET 361 Ca 0.11 -1.95 -0.01 0.00 -1.81 0.00 0.00 57.70 54.05 1j3u n MET 361 Cb 0.19 -1.63 0.16 0.00 -0.71 0.00 0.00 33.22 31.23 1j3u n MET 361 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1j3u h GLU 362 N 2.87 1.19 -0.37 0.03 5.08 -1.85 -3.04 114.58 118.49 1j3u h GLU 362 Ca 0.00 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1j3u h GLU 362 Cb 1.00 -0.27 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 1j3u h GLU 362 CO 0.13 0.79 -0.07 -1.00 -1.00 0.00 0.00 179.01 177.86 1j3u h PRO 363 N 1.23 0.02 -0.46 2.33 0.13 -1.85 0.73 132.00 134.13 1j3u h PRO 363 Ca 0.34 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.40 1j3u h PRO 363 Cb -0.12 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 30.98 1j3u h PRO 363 CO -0.08 0.01 0.02 -0.24 -0.23 0.00 0.00 178.00 177.49 1j3u h VAL 364 N 0.02 1.23 0.43 1.56 3.04 -1.72 0.13 116.25 120.94 1j3u h VAL 364 Ca 0.18 -0.94 -0.02 0.00 -1.01 0.00 0.00 66.70 64.91 1j3u h VAL 364 Cb 0.27 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 30.41 1j3u h VAL 364 CO -0.36 0.33 -0.21 0.25 -1.01 0.00 0.00 177.57 176.57 1j3u h LEU 365 N 0.71 -0.49 -0.68 3.16 6.46 -1.02 -1.64 115.31 121.81 1j3u h LEU 365 Ca 0.14 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 1j3u h LEU 365 Cb 0.40 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 1j3u h LEU 365 CO 0.01 -0.24 0.34 -0.26 -0.62 0.00 0.00 178.44 177.67 1j3u h PHE 366 N -0.72 0.97 -0.49 1.25 0.04 0.51 -0.20 116.94 118.29 1j3u h PHE 366 Ca -0.06 -0.04 0.08 0.00 2.80 0.00 0.00 57.97 60.74 1j3u h PHE 366 Cb 0.52 -0.30 -0.06 0.00 2.20 0.00 0.00 35.95 38.30 1j3u h PHE 366 CO -0.01 0.72 0.14 0.35 -0.60 0.00 0.00 178.31 178.90 1j3u h PHE 367 N 0.94 0.23 -0.23 -0.55 3.57 -0.64 0.24 116.94 120.50 1j3u h PHE 367 Ca 0.23 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.64 1j3u h PHE 367 Cb 0.10 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1j3u h PHE 367 CO 0.00 0.04 -0.33 -0.91 -2.23 0.00 0.00 178.31 174.89 1j3u h ASN 368 N 0.29 0.68 0.43 0.41 4.21 -0.95 -1.42 115.58 119.24 1j3u h ASN 368 Ca 0.24 -0.52 -0.01 0.00 1.21 0.00 0.00 56.30 57.23 1j3u h ASN 368 Cb 0.29 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 1j3u h ASN 368 CO -0.28 1.06 -0.34 0.25 -1.29 0.00 0.00 177.43 176.84 1j3u h LEU 369 N 0.32 -0.88 -0.45 1.61 6.46 -0.73 -0.82 115.31 120.82 1j3u h LEU 369 Ca 0.02 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.90 1j3u h LEU 369 Cb 0.92 0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 41.08 1j3u h LEU 369 CO 0.08 -0.50 0.18 0.40 -0.62 0.00 0.00 178.44 177.98 1j3u h ILE 370 N -0.76 0.89 -0.96 4.05 2.04 -1.02 -1.81 117.51 119.93 1j3u h ILE 370 Ca -0.04 -0.12 0.14 0.00 1.00 0.00 0.00 64.86 65.83 1j3u h ILE 370 Cb 0.66 0.49 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 1j3u h ILE 370 CO -0.00 0.07 0.61 -0.61 0.00 0.00 0.00 178.15 178.21 1j3u h GLN 371 N 0.36 0.82 0.26 2.37 4.15 -0.81 -0.12 115.11 122.13 1j3u h GLN 371 Ca 0.21 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1j3u h GLN 371 Cb 0.18 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1j3u h GLN 371 CO -0.19 0.54 -0.12 0.77 -1.93 0.00 0.00 178.83 177.89 1j3u h SER 372 N 0.84 -0.29 -0.43 -0.69 0.02 -0.32 -0.52 113.55 112.15 1j3u h SER 372 Ca 0.48 -0.13 0.08 0.00 -0.84 0.00 0.00 61.79 61.38 1j3u h SER 372 Cb 0.63 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1j3u h SER 372 CO -0.25 -0.04 0.29 0.40 -1.14 0.00 0.00 176.83 176.09 1j3u h ILE 373 N -0.55 0.91 0.09 3.27 2.04 -0.91 -0.94 117.51 121.42 1j3u h ILE 373 Ca -0.04 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1j3u h ILE 373 Cb 0.40 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1j3u h ILE 373 CO 0.06 0.04 -0.05 -1.28 0.00 0.00 0.00 178.15 176.93 1j3u h SER 374 N 0.24 -0.11 0.65 1.72 0.87 -0.80 -2.99 113.55 113.14 1j3u h SER 374 Ca 0.20 -0.43 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 1j3u h SER 374 Cb 0.46 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1j3u h SER 374 CO -0.04 0.54 -0.17 0.16 -0.53 0.00 0.00 176.83 176.79 1j3u h ILE 375 N -0.93 0.53 -0.03 2.23 3.07 -0.97 -1.76 117.51 119.65 1j3u h ILE 375 Ca -0.01 -0.81 -0.05 0.00 1.55 0.00 0.00 64.86 65.54 1j3u h ILE 375 Cb 0.53 1.55 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 1j3u h ILE 375 CO 0.02 0.16 -0.16 0.24 -1.05 0.00 0.00 178.15 177.36 1j3u h MET 376 N 0.00 0.17 -1.00 0.16 2.86 -1.28 -2.44 114.93 113.40 1j3u h MET 376 Ca -0.00 -0.14 0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1j3u h MET 376 Cb 0.54 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.16 1j3u h MET 376 CO 0.02 0.80 0.65 1.15 1.06 0.00 0.00 176.91 180.59 1j3u h THR 377 N -0.42 1.16 -0.56 2.22 2.02 -1.36 -0.41 112.91 115.56 1j3u h THR 377 Ca -0.01 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 1j3u h THR 377 Cb 0.83 -0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1j3u h THR 377 CO 0.03 0.23 0.06 0.78 0.37 0.00 0.00 175.52 176.99 1j3u h ASN 378 N 1.25 0.88 0.60 4.18 4.21 -1.29 -2.04 115.58 123.38 1j3u h ASN 378 Ca 0.41 -0.20 -0.28 0.00 1.21 0.00 0.00 56.30 57.43 1j3u h ASN 378 Cb 0.03 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 36.98 1j3u h ASN 378 CO -0.13 0.91 -1.43 -0.37 -1.29 0.00 0.00 177.43 175.11 1j3u h VAL 379 N 0.86 1.24 -0.55 2.81 -1.51 -1.19 -2.73 116.25 115.18 1j3u h VAL 379 Ca 0.17 -2.94 0.05 0.00 -1.23 0.00 0.00 66.70 62.75 1j3u h VAL 379 Cb 0.43 2.71 -0.05 0.00 -2.13 0.00 0.00 31.29 32.25 1j3u h VAL 379 CO 0.01 0.79 0.28 -0.26 -1.23 0.00 0.00 177.57 177.16 1j3u h PHE 380 N 0.04 0.51 0.55 5.19 -1.00 -1.00 0.90 116.94 122.13 1j3u h PHE 380 Ca -0.19 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.58 1j3u h PHE 380 Cb 1.95 -0.15 0.01 0.00 3.61 0.00 0.00 35.95 41.37 1j3u h PHE 380 CO 0.03 0.24 -0.26 0.87 -1.61 0.00 0.00 178.31 177.58 1j3u h LYS 381 N 0.53 -0.71 -0.89 1.51 6.56 -1.44 -2.47 116.57 119.66 1j3u h LYS 381 Ca 0.25 0.05 0.09 0.00 -1.06 0.00 0.00 60.65 59.97 1j3u h LYS 381 Cb 0.16 0.16 -0.07 0.00 -0.57 0.00 0.00 32.23 31.91 1j3u h LYS 381 CO -0.18 -0.40 0.54 1.03 -2.06 0.00 0.00 179.45 178.38 1j3u h SER 382 N -1.03 0.81 -0.45 0.86 0.87 -1.24 -1.64 113.55 111.72 1j3u h SER 382 Ca -0.08 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.43 1j3u h SER 382 Cb 0.64 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1j3u h SER 382 CO 0.12 0.47 -0.06 0.15 -0.53 0.00 0.00 176.83 176.99 1j3u h PHE 383 N 0.92 0.98 -0.05 2.24 3.04 0.82 0.19 116.94 125.07 1j3u h PHE 383 Ca 0.42 -0.17 -0.25 0.00 3.98 0.00 0.00 57.97 61.95 1j3u h PHE 383 Cb 0.32 -0.25 0.01 0.00 2.56 0.00 0.00 35.95 38.59 1j3u h PHE 383 CO -0.04 0.91 -0.93 1.79 -2.02 0.00 0.00 178.31 178.02 1j3u h THR 384 N 0.81 1.29 -0.05 4.41 1.35 -1.01 -1.31 112.91 118.41 1j3u h THR 384 Ca 0.14 -2.17 -0.25 0.00 -0.55 0.00 0.00 66.41 63.58 1j3u h THR 384 Cb 0.57 2.24 0.02 0.00 -1.73 0.00 0.00 68.15 69.24 1j3u h THR 384 CO 0.03 0.67 -0.96 -0.08 -0.25 0.00 0.00 175.52 174.94 1j3u h GLU 385 N 0.42 0.72 -0.52 4.72 4.57 -1.28 -1.55 114.58 121.67 1j3u h GLU 385 Ca -0.10 -0.71 0.00 0.00 -1.18 0.00 0.00 59.36 57.37 1j3u h GLU 385 Cb 1.57 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 30.35 1j3u h GLU 385 CO 0.18 1.30 0.00 0.09 -1.18 0.00 0.00 179.01 179.40 1j3u n ASN 386 N -3.88 5.24 0.00 1.04 3.02 0.66 -4.72 115.26 116.62 1j3u n ASN 386 Ca -0.10 -2.89 0.00 0.00 -0.03 0.00 0.00 54.58 51.56 1j3u n ASN 386 Cb 0.84 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1j3u n ASN 386 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j3u n LEU 388 N -1.48 -0.49 -0.12 0.00 7.94 -0.55 -1.03 117.00 121.26 1j3u n LEU 388 Ca 0.00 1.64 0.02 0.00 -1.11 0.00 0.00 56.01 56.56 1j3u n LEU 388 Cb 0.00 -0.43 0.31 0.00 0.53 0.00 0.00 43.42 43.83 1j3u n LEU 388 CO 0.00 -1.52 1.19 0.11 -1.11 0.00 0.00 177.39 176.06 1j3u h LYS 389 N 0.00 0.79 -0.66 1.96 1.57 -1.54 -3.02 116.57 115.68 1j3u h LYS 389 Ca 0.39 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1j3u h LYS 389 Cb 0.62 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1j3u h LYS 389 CO -0.96 0.54 0.00 0.41 -0.57 0.00 0.00 179.45 178.87 1j3u n GLY 390 N -1.40 2.16 3.68 3.86 0.00 -0.20 -4.97 105.19 108.32 1j3u n GLY 390 Ca 0.06 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1j3u n GLY 390 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3u s ILE 391 N -1.27 2.81 0.28 -0.61 1.01 -1.01 -4.49 121.20 117.93 1j3u s ILE 391 Ca 0.44 0.15 0.08 0.00 0.00 0.00 0.00 60.65 61.33 1j3u s ILE 391 Cb 0.24 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 1j3u s ILE 391 CO 0.28 -0.00 0.11 -0.54 0.00 0.00 0.00 174.94 174.79 1j3u s LYS 392 N 3.29 2.55 0.12 2.79 3.01 -0.53 -4.97 119.74 126.00 1j3u s LYS 392 Ca 0.81 -1.31 0.08 0.00 -1.01 0.00 0.00 55.97 54.54 1j3u s LYS 392 Cb -0.43 -2.32 -0.04 0.00 -1.01 0.00 0.00 37.83 34.03 1j3u s LYS 392 CO 0.37 0.31 -0.11 0.00 0.51 0.00 0.00 175.35 176.42 1j3u s ALA 393 N -2.28 2.90 -1.00 5.17 0.00 -1.26 -0.87 121.76 124.43 1j3u s ALA 393 Ca 0.34 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 1j3u s ALA 393 Cb -0.06 -0.82 0.30 0.00 0.00 0.00 0.00 23.12 22.55 1j3u s ALA 393 CO 0.23 0.59 1.43 0.09 0.00 0.00 0.00 175.76 178.10 1j3u n ASN 394 N 0.57 6.18 -0.32 0.00 3.02 -0.69 -4.88 115.26 119.14 1j3u n ASN 394 Ca -0.13 -3.48 0.19 0.00 -0.03 0.00 0.00 54.58 51.13 1j3u n ASN 394 Cb 0.53 -1.15 0.38 0.00 -0.61 0.00 0.00 39.78 38.93 1j3u n ASN 394 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1j3u h GLU 395 N 4.97 0.20 0.06 3.52 5.08 -1.94 -1.48 114.58 124.98 1j3u h GLU 395 Ca 0.25 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1j3u h GLU 395 Cb 0.56 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1j3u h GLU 395 CO 1.23 0.13 -0.03 0.93 -1.00 0.00 0.00 179.01 180.27 1j3u h GLU 396 N 0.21 -0.07 -0.52 2.33 4.39 -1.95 -0.33 114.58 118.63 1j3u h GLU 396 Ca 0.65 0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.45 1j3u h GLU 396 Cb 1.43 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 30.02 1j3u h GLU 396 CO -0.68 0.17 0.10 -0.09 -1.16 0.00 0.00 179.01 177.36 1j3u h ARG 397 N -0.32 0.23 -0.15 2.33 9.65 -1.64 0.12 114.38 124.60 1j3u h ARG 397 Ca -0.01 -0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 58.73 1j3u h ARG 397 Cb 0.28 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1j3u h ARG 397 CO 0.01 0.15 -0.46 0.52 2.80 0.00 0.00 179.97 183.00 1j3u h MET 398 N 0.24 0.38 0.03 0.20 2.86 -1.44 -2.14 114.93 115.06 1j3u h MET 398 Ca 0.26 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1j3u h MET 398 Cb 0.36 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1j3u h MET 398 CO -0.35 0.76 -0.04 0.87 1.06 0.00 0.00 176.91 179.22 1j3u h LYS 399 N 0.31 -0.08 0.00 1.72 1.57 0.80 -1.92 116.57 118.97 1j3u h LYS 399 Ca 0.02 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1j3u h LYS 399 Cb 0.92 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1j3u h LYS 399 CO 0.08 -0.06 -0.20 1.05 -0.57 0.00 0.00 179.45 179.75 1j3u h GLU 400 N -0.09 0.00 -0.24 3.15 4.11 -0.77 -2.00 114.58 118.74 1j3u h GLU 400 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 1j3u h GLU 400 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1j3u h GLU 400 CO -0.02 0.20 0.13 1.88 0.07 0.00 0.00 179.01 181.27 1j3u h TYR 401 N 0.00 0.34 -0.35 2.06 0.05 -0.67 -0.26 116.97 118.14 1j3u h TYR 401 Ca -0.00 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 1j3u h TYR 401 Cb 0.49 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 1j3u h TYR 401 CO 0.00 0.30 -0.13 0.28 -1.05 0.00 0.00 178.16 177.56 1j3u h VAL 402 N 0.28 1.25 -0.29 -2.88 2.07 -1.01 -3.00 116.25 112.67 1j3u h VAL 402 Ca 0.09 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 1j3u h VAL 402 Cb 0.08 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1j3u h VAL 402 CO -0.01 0.37 -0.09 -0.33 0.02 0.00 0.00 177.57 177.52 1j3u h GLU 403 N 0.56 0.57 -0.81 1.57 4.39 -0.90 -3.24 114.58 116.72 1j3u h GLU 403 Ca 0.10 -0.23 -0.20 0.00 0.34 0.00 0.00 59.36 59.37 1j3u h GLU 403 Cb 0.55 -0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 29.05 1j3u h GLU 403 CO 0.03 0.78 0.25 1.63 -1.16 0.00 0.00 179.01 180.55 1j3u n LYS 404 N -4.47 3.26 -3.88 2.33 4.76 -0.15 -3.84 118.16 116.17 1j3u n LYS 404 Ca -0.03 -2.58 -0.36 0.00 -2.87 0.00 0.00 58.31 52.47 1j3u n LYS 404 Cb 0.33 -2.07 -0.07 0.00 -1.84 0.00 0.00 35.03 31.38 1j3u n LYS 404 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1j3u s SER 405 N -0.77 6.14 0.00 4.39 1.04 -1.13 -4.96 113.70 118.40 1j3u s SER 405 Ca 0.46 0.30 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1j3u s SER 405 Cb 0.37 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 64.47 1j3u s SER 405 CO 0.11 0.29 0.79 2.30 0.98 0.00 0.00 173.24 177.72 1j3u n ILE 406 N 2.78 0.00 0.05 -1.02 -0.00 -1.26 -3.27 119.36 116.64 1j3u n ILE 406 Ca -0.18 0.00 0.07 0.00 -0.00 0.00 0.00 62.75 62.64 1j3u n ILE 406 Cb 0.53 -0.11 -0.11 0.00 -0.00 0.00 0.00 39.64 39.96 1j3u n ILE 406 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1j3u n GLY 407 N 0.30 -0.62 0.12 3.28 0.00 -1.26 -4.37 105.19 102.64 1j3u n GLY 407 Ca 0.00 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.78 1j3u n GLY 407 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1j3u n ILE 408 N -1.94 1.07 0.31 -0.61 3.06 -1.20 -2.34 119.36 117.71 1j3u n ILE 408 Ca -0.02 0.51 0.18 0.00 -2.50 0.00 0.00 62.75 60.92 1j3u n ILE 408 Cb 0.36 -1.47 1.03 0.00 0.54 0.00 0.00 39.64 40.10 1j3u n ILE 408 CO 0.00 0.00 0.00 -0.29 -2.50 0.00 0.00 176.55 173.76 1j3u h ILE 409 N 0.00 0.32 0.00 9.51 6.09 -1.81 -1.05 117.51 130.58 1j3u h ILE 409 Ca 0.00 -0.02 -0.07 0.00 -1.37 0.00 0.00 64.86 63.40 1j3u h ILE 409 Cb 0.14 1.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.43 1j3u h ILE 409 CO 0.00 0.00 -0.34 0.74 -3.07 0.00 0.00 178.15 175.48 1j3u h THR 410 N 0.00 1.08 -0.00 2.19 2.02 -1.80 -1.02 112.91 115.39 1j3u h THR 410 Ca -0.00 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1j3u h THR 410 Cb 0.01 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1j3u h THR 410 CO 0.00 0.33 -0.13 0.00 0.37 0.00 0.00 175.52 176.09 1j3u n ALA 411 N -2.40 2.68 0.11 6.16 0.00 -0.40 -3.76 120.51 122.90 1j3u n ALA 411 Ca -0.02 -0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.29 1j3u n ALA 411 Cb 0.41 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 1j3u n ALA 411 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1j3u n ILE 412 N -1.42 0.00 -0.23 0.00 5.41 -0.93 -4.78 119.36 117.41 1j3u n ILE 412 Ca 0.08 -0.23 -0.11 0.00 1.00 0.00 0.00 62.75 63.49 1j3u n ILE 412 Cb 0.32 0.50 -0.08 0.00 -0.71 0.00 0.00 39.64 39.67 1j3u n ILE 412 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 1j3u h ASN 413 N 0.00 -1.82 -1.06 4.38 -1.24 -1.29 -2.25 115.58 112.30 1j3u h ASN 413 Ca 0.00 0.27 0.29 0.00 0.71 0.00 0.00 56.30 57.56 1j3u h ASN 413 Cb 0.34 0.78 -0.11 0.00 0.73 0.00 0.00 38.32 40.06 1j3u h ASN 413 CO 0.00 -0.34 0.66 -0.65 -1.29 0.00 0.00 177.43 175.80 1j3u h PRO 414 N -0.25 0.39 0.00 6.67 0.11 -1.83 -0.94 132.00 136.14 1j3u h PRO 414 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1j3u h PRO 414 Cb 0.55 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1j3u h PRO 414 CO -0.71 0.26 -0.02 0.45 -0.21 0.00 0.00 178.00 177.77 1j3u h HIS 415 N 0.40 0.00 0.00 0.65 3.86 -1.70 -3.33 115.15 115.03 1j3u h HIS 415 Ca 0.66 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.86 1j3u h HIS 415 Cb 1.58 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.04 1j3u h HIS 415 CO -0.00 0.00 -0.15 1.33 0.86 0.00 0.00 177.93 179.96 1j3u n VAL 416 N -2.91 1.72 -1.46 2.45 0.24 -0.46 -5.03 118.33 112.87 1j3u n VAL 416 Ca 0.04 -2.18 0.00 0.00 -2.04 0.00 0.00 64.34 60.16 1j3u n VAL 416 Cb 0.51 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 1j3u n VAL 416 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j3u n GLY 417 N -1.21 -4.39 0.00 7.63 0.00 -0.57 -3.27 105.19 103.39 1j3u n GLY 417 Ca 0.15 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1j3u n GLY 417 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1j3u n TYR 418 N -1.28 0.00 -0.10 1.61 0.53 -1.26 -1.82 117.16 114.85 1j3u n TYR 418 Ca 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 57.90 56.72 1j3u n TYR 418 Cb 0.10 -0.18 -0.07 0.00 -1.03 0.00 0.00 39.34 38.16 1j3u n TYR 418 CO 0.00 0.00 0.00 -0.85 -1.02 0.00 0.00 176.86 174.99 1j3u n GLU 419 N -1.18 0.53 0.14 -0.72 0.00 -1.26 -4.21 120.64 113.93 1j3u n GLU 419 Ca 0.01 0.48 0.12 0.00 0.00 0.00 0.00 57.16 57.77 1j3u n GLU 419 Cb 0.01 -1.66 0.50 0.00 0.00 0.00 0.00 31.44 30.28 1j3u n GLU 419 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1j3u n THR 420 N -4.47 0.81 0.26 3.84 -1.04 -1.02 -2.50 114.28 110.16 1j3u n THR 420 Ca -0.25 0.21 0.15 0.00 -2.04 0.00 0.00 64.05 62.12 1j3u n THR 420 Cb 0.56 -1.15 0.53 0.00 -1.82 0.00 0.00 70.33 68.45 1j3u n THR 420 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j3u h ALA 421 N 2.26 1.00 0.00 2.41 0.00 -1.47 -1.86 119.26 121.60 1j3u h ALA 421 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1j3u h ALA 421 Cb 0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1j3u h ALA 421 CO 0.00 0.01 -1.26 0.00 0.00 0.00 0.00 179.25 178.00 1j3u h ALA 422 N 1.99 0.63 0.13 0.00 0.00 -1.66 -3.21 119.26 117.15 1j3u h ALA 422 Ca -0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 54.91 53.97 1j3u h ALA 422 Cb 0.67 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1j3u h ALA 422 CO 0.00 0.73 -1.36 1.57 0.00 0.00 0.00 179.25 180.19 1j3u h LYS 423 N 0.00 0.27 0.00 0.00 5.09 -1.62 -2.15 116.57 118.17 1j3u h LYS 423 Ca -0.12 -0.47 0.00 0.00 0.09 0.00 0.00 60.65 60.15 1j3u h LYS 423 Cb 1.46 0.17 0.00 0.00 0.10 0.00 0.00 32.23 33.97 1j3u h LYS 423 CO 0.04 1.22 0.00 1.28 -2.09 0.00 0.00 179.45 179.90 1j3u n LEU 424 N -3.92 0.49 -0.03 7.07 4.77 -0.71 -2.73 117.00 121.95 1j3u n LEU 424 Ca -0.23 0.61 -0.03 0.00 -0.03 0.00 0.00 56.01 56.33 1j3u n LEU 424 Cb 0.91 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1j3u n LEU 424 CO 0.44 -0.45 -0.26 0.00 -1.33 0.00 0.00 177.39 175.78 1j3u n ALA 425 N -1.70 0.95 0.28 -1.18 0.00 -1.21 -4.01 120.51 113.64 1j3u n ALA 425 Ca 0.03 -0.42 0.14 0.00 0.00 0.00 0.00 53.44 53.18 1j3u n ALA 425 Cb 0.23 0.04 0.73 0.00 0.00 0.00 0.00 19.45 20.44 1j3u n ALA 425 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1j3u h ARG 426 N -0.39 0.00 0.16 0.00 2.43 -1.53 0.35 114.38 115.41 1j3u h ARG 426 Ca 0.00 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.85 1j3u h ARG 426 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1j3u h ARG 426 CO 0.00 0.00 -1.63 1.49 -1.51 0.00 0.00 179.97 178.32 1j3u h GLU 427 N 0.00 0.34 0.00 0.20 4.81 -1.71 -3.25 114.58 114.97 1j3u h GLU 427 Ca 0.00 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 1j3u h GLU 427 Cb 0.55 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1j3u h GLU 427 CO 0.00 1.28 0.00 0.00 -0.73 0.00 0.00 179.01 179.56 1j3u n ALA 428 N -2.90 1.72 0.09 2.92 0.00 0.11 -2.18 120.51 120.27 1j3u n ALA 428 Ca -0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.11 1j3u n ALA 428 Cb 1.01 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 19.18 1j3u n ALA 428 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1j3u h TYR 429 N 0.00 0.00 0.00 0.00 3.20 -1.16 -2.96 116.97 116.05 1j3u h TYR 429 Ca 0.00 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.60 1j3u h TYR 429 Cb 0.16 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 1j3u h TYR 429 CO 0.00 0.76 -1.87 1.28 -1.64 0.00 0.00 178.16 176.69 1j3u n LEU 430 N -3.25 1.78 0.26 2.82 7.99 -0.93 -4.50 117.00 121.18 1j3u n LEU 430 Ca -0.01 0.30 0.17 0.00 -0.01 0.00 0.00 56.01 56.47 1j3u n LEU 430 Cb 0.85 -0.72 0.78 0.00 -0.11 0.00 0.00 43.42 44.23 1j3u n LEU 430 CO 0.44 0.23 1.01 0.71 -1.51 0.00 0.00 177.39 178.27 1j3u h THR 431 N -0.89 0.00 0.00 -5.08 1.35 -1.66 -3.45 112.91 103.18 1j3u h THR 431 Ca -0.41 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1j3u h THR 431 Cb 1.32 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1j3u h THR 431 CO -0.25 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.63 1j3u n GLY 432 N -0.33 0.31 3.75 5.82 0.00 -1.12 -4.95 105.19 108.68 1j3u n GLY 432 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1j3u n GLY 432 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j3u s GLU 433 N -0.89 4.16 0.18 1.61 2.12 -1.26 -4.89 118.70 119.73 1j3u s GLU 433 Ca 0.00 2.51 -0.33 0.00 0.36 0.00 0.00 54.97 57.51 1j3u s GLU 433 Cb 0.00 -3.04 -0.16 0.00 0.26 0.00 0.00 34.13 31.20 1j3u s GLU 433 CO 0.00 -0.56 1.17 0.45 -0.54 0.00 0.00 175.26 175.78 1j3u n SER 434 N 1.94 1.39 0.27 -1.70 2.88 -1.26 -4.68 113.62 112.46 1j3u n SER 434 Ca 0.07 1.14 0.10 0.00 -1.33 0.00 0.00 58.87 58.85 1j3u n SER 434 Cb 0.38 -1.22 0.72 0.00 -0.75 0.00 0.00 64.21 63.34 1j3u n SER 434 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1j3u h ILE 435 N 2.67 0.86 0.01 2.46 6.09 -1.87 -0.79 117.51 126.93 1j3u h ILE 435 Ca -0.43 -0.02 -0.05 0.00 -1.37 0.00 0.00 64.86 62.98 1j3u h ILE 435 Cb 1.34 1.01 -0.00 0.00 0.47 0.00 0.00 36.82 39.64 1j3u h ILE 435 CO 0.70 0.01 -0.27 -0.09 -3.07 0.00 0.00 178.15 175.42 1j3u h ARG 436 N 0.00 0.02 0.00 2.19 2.43 -1.88 -3.11 114.38 114.03 1j3u h ARG 436 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1j3u h ARG 436 Cb 0.01 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1j3u h ARG 436 CO 0.00 1.02 0.00 0.39 -1.51 0.00 0.00 179.97 179.87 1j3u n GLU 437 N -4.54 0.07 -0.03 0.20 1.02 -1.03 -1.26 120.64 115.06 1j3u n GLU 437 Ca -0.14 0.27 -0.19 0.00 -0.02 0.00 0.00 57.16 57.08 1j3u n GLU 437 Cb 0.54 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.32 1j3u n GLU 437 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1j3u n LEU 438 N -1.33 2.42 -0.30 -4.62 7.94 -0.33 -2.62 117.00 118.16 1j3u n LEU 438 Ca 0.02 0.16 -0.04 0.00 -1.11 0.00 0.00 56.01 55.05 1j3u n LEU 438 Cb 0.05 -0.89 0.10 0.00 0.53 0.00 0.00 43.42 43.22 1j3u n LEU 438 CO 0.05 0.81 1.12 0.00 -1.11 0.00 0.00 177.39 178.26 1j3u h ILE 440 N 1.18 0.00 0.00 0.00 2.04 -1.63 0.14 117.51 119.23 1j3u h ILE 440 Ca 0.29 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1j3u h ILE 440 Cb 0.10 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 1j3u h ILE 440 CO -0.04 0.00 0.01 0.29 0.00 0.00 0.00 178.15 178.41 1j3u n LYS 441 N -4.31 0.88 0.00 2.37 5.02 -1.08 -2.11 118.16 118.93 1j3u n LYS 441 Ca -0.06 -0.33 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 1j3u n LYS 441 Cb 0.20 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1j3u n LYS 441 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1j3u n TYR 442 N 2.33 0.00 -0.74 2.13 -0.00 -1.06 -4.87 117.16 114.95 1j3u n TYR 442 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.04 1j3u n TYR 442 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.75 1j3u n TYR 442 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1j3u n GLY 443 N -0.55 -2.39 0.00 2.98 0.00 0.47 -5.07 105.19 100.64 1j3u n GLY 443 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1j3u n GLY 443 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1j3u n VAL 444 N 0.47 0.00 -3.75 1.61 0.24 -1.22 -5.01 118.33 110.68 1j3u n VAL 444 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 1j3u n VAL 444 Cb 0.00 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.25 1j3u n VAL 444 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1j3u s LEU 445 N -1.53 0.58 0.39 1.34 1.43 -1.26 -4.99 118.68 114.62 1j3u s LEU 445 Ca 0.00 0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 53.45 1j3u s LEU 445 Cb 0.00 0.90 -0.10 0.00 0.03 0.00 0.00 46.19 47.03 1j3u s LEU 445 CO 0.00 -0.14 1.00 0.42 0.23 0.00 0.00 176.35 177.86 1j3u s THR 446 N 0.80 4.01 0.14 5.49 -4.23 -1.26 -4.57 115.64 116.02 1j3u s THR 446 Ca -0.05 1.50 -0.27 0.00 -1.18 0.00 0.00 61.69 61.69 1j3u s THR 446 Cb -0.06 -3.75 -0.06 0.00 1.34 0.00 0.00 72.50 69.96 1j3u s THR 446 CO -0.05 -0.03 1.35 -0.62 -0.54 0.00 0.00 174.62 174.72 1j3u n GLU 447 N -0.04 -0.38 0.34 3.99 -0.58 -1.26 0.18 120.64 122.89 1j3u n GLU 447 Ca 0.05 1.32 0.20 0.00 -0.42 0.00 0.00 57.16 58.31 1j3u n GLU 447 Cb 0.51 -1.94 1.09 0.00 -0.57 0.00 0.00 31.44 30.53 1j3u n GLU 447 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1j3u h GLU 448 N 0.00 0.00 0.10 3.49 3.07 -2.00 -0.78 114.58 118.45 1j3u h GLU 448 Ca 0.14 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.63 1j3u h GLU 448 Cb 0.36 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 1j3u h GLU 448 CO -0.82 0.00 -2.09 0.94 -1.40 0.00 0.00 179.01 175.64 1j3u n GLN 449 N -3.02 0.74 0.26 2.33 7.27 0.48 -4.02 117.38 121.42 1j3u n GLN 449 Ca -0.03 0.24 0.18 0.00 0.07 0.00 0.00 57.00 57.46 1j3u n GLN 449 Cb 0.17 -1.67 0.90 0.00 2.41 0.00 0.00 30.24 32.06 1j3u n GLN 449 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1j3u h LEU 450 N 0.05 0.00 0.00 1.69 5.85 0.25 -1.39 115.31 121.75 1j3u h LEU 450 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1j3u h LEU 450 Cb 2.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.03 1j3u h LEU 450 CO 0.05 0.00 -0.99 0.59 -0.34 0.00 0.00 178.44 177.75 1j3u n ASN 451 N -2.80 0.80 0.11 1.25 5.03 -0.75 -2.28 115.26 116.62 1j3u n ASN 451 Ca -0.01 0.27 0.12 0.00 0.87 0.00 0.00 54.58 55.83 1j3u n ASN 451 Cb 0.12 0.47 0.26 0.00 -1.02 0.00 0.00 39.78 39.61 1j3u n ASN 451 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1j3u h GLU 452 N 0.00 0.00 0.03 3.52 4.39 -1.39 -2.89 114.58 118.23 1j3u h GLU 452 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1j3u h GLU 452 Cb 0.96 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 1j3u h GLU 452 CO 0.00 0.00 -1.54 -0.89 -1.16 0.00 0.00 179.01 175.42 1j3u n ILE 453 N -2.37 1.59 0.12 3.13 5.41 -1.11 -4.15 119.36 121.98 1j3u n ILE 453 Ca 0.04 -0.19 -0.06 0.00 1.00 0.00 0.00 62.75 63.54 1j3u n ILE 453 Cb 0.46 -1.96 0.10 0.00 -0.71 0.00 0.00 39.64 37.53 1j3u n ILE 453 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1j3u n LEU 454 N -4.20 4.09 -4.74 1.39 4.77 -0.97 -4.64 117.00 112.69 1j3u n LEU 454 Ca -0.34 -2.12 -0.41 0.00 -0.03 0.00 0.00 56.01 53.11 1j3u n LEU 454 Cb 0.78 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1j3u n LEU 454 CO 0.23 0.63 1.14 0.21 -1.33 0.00 0.00 177.39 178.27 1j3u s ASN 455 N -0.06 6.60 0.42 -1.43 3.84 -1.09 -4.91 114.94 118.31 1j3u s ASN 455 Ca 0.23 2.70 0.19 0.00 0.21 0.00 0.00 52.86 56.19 1j3u s ASN 455 Cb 0.19 -2.62 1.11 0.00 -0.55 0.00 0.00 41.25 39.38 1j3u s ASN 455 CO 0.05 -0.75 1.85 1.55 -2.79 0.00 0.00 177.10 177.01 1j3u h PRO 456 N 5.24 0.37 0.00 0.43 0.13 -1.92 -2.17 132.00 134.08 1j3u h PRO 456 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1j3u h PRO 456 Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1j3u h PRO 456 CO 0.80 0.24 -0.05 -0.92 -0.23 0.00 0.00 178.00 177.84 1j3u h TYR 457 N 0.38 0.00 0.00 1.56 5.03 -1.95 -3.29 116.97 118.70 1j3u h TYR 457 Ca 0.49 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.80 1j3u h TYR 457 Cb 1.26 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.54 1j3u h TYR 457 CO -0.00 0.00 0.00 0.39 -1.32 0.00 0.00 178.16 177.23 1j3u n GLU 458 N -3.40 0.15 0.13 1.82 1.02 -1.24 -1.02 120.64 118.11 1j3u n GLU 458 Ca -0.01 0.60 0.03 0.00 -0.02 0.00 0.00 57.16 57.77 1j3u n GLU 458 Cb 0.03 -1.95 0.02 0.00 -0.02 0.00 0.00 31.44 29.51 1j3u n GLU 458 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1j3u h MET 459 N 0.00 0.00 -0.33 3.49 4.05 -1.55 -3.27 114.93 117.33 1j3u h MET 459 Ca 0.00 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.29 1j3u h MET 459 Cb 0.07 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 30.79 1j3u h MET 459 CO 0.00 0.38 -0.04 0.44 0.23 0.00 0.00 176.91 177.92 1j3u n ILE 460 N -3.12 2.47 -3.98 1.77 -5.35 -0.18 -4.83 119.36 106.13 1j3u n ILE 460 Ca -0.00 -2.49 -0.09 0.00 -0.27 0.00 0.00 62.75 59.90 1j3u n ILE 460 Cb 0.72 -0.30 -0.10 0.00 -1.74 0.00 0.00 39.64 38.22 1j3u n ILE 460 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1j3u s HIS 461 N -3.13 0.30 0.16 4.28 3.76 -1.00 -4.87 115.29 114.78 1j3u s HIS 461 Ca 0.44 -0.65 -0.31 0.00 -0.15 0.00 0.00 55.06 54.38 1j3u s HIS 461 Cb 0.39 -0.22 -0.10 0.00 1.11 0.00 0.00 32.58 33.76 1j3u s HIS 461 CO 0.02 -0.31 1.64 -1.25 -0.85 0.00 0.00 174.74 173.99 1j3u s PRO 462 N -2.55 4.19 -0.13 8.40 0.04 -1.26 -4.89 135.00 138.80 1j3u s PRO 462 Ca -0.06 2.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 1j3u s PRO 462 Cb -0.02 -3.24 0.10 0.00 0.04 0.00 0.00 34.50 31.38 1j3u s PRO 462 CO -0.05 -0.68 0.85 0.20 0.04 0.00 0.00 177.00 177.37 1j3u s GLY 463 N 1.49 -0.40 0.36 0.56 0.00 -1.26 -5.12 107.32 102.94 1j3u s GLY 463 Ca 0.73 1.77 -0.27 0.00 0.00 0.00 0.00 44.72 46.95 1j3u s GLY 463 CO 0.32 1.08 1.11 4.51 0.00 0.00 0.00 173.10 180.12 1j3u n ILE 464 N 0.98 2.18 -0.27 0.90 3.06 -1.26 -4.88 119.36 120.07 1j3u n ILE 464 Ca -0.14 -0.50 -0.07 0.00 -2.50 0.00 0.00 62.75 59.54 1j3u n ILE 464 Cb 0.57 -1.26 -0.07 0.00 0.54 0.00 0.00 39.64 39.43 1j3u n ILE 464 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1j3u n ALA 465 N -0.02 -0.42 -0.66 1.51 0.00 -1.26 -5.14 120.51 114.52 1j3u n ALA 465 Ca 0.08 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1j3u n ALA 465 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1j3u n ALA 465 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91