#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3u n ARG 6 N 0.00 0.00 -3.56 5.55 0.63 -1.15 -4.30 116.66 113.82 1j3u n ARG 6 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1j3u n ARG 6 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 1j3u n ARG 6 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1j3u s ILE 7 N -2.65 -0.19 -0.02 5.15 2.07 -1.25 -3.83 121.20 120.49 1j3u s ILE 7 Ca 0.00 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.29 1j3u s ILE 7 Cb 0.00 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.58 1j3u s ILE 7 CO 0.00 0.00 -0.18 -1.61 -1.91 0.00 0.00 174.94 171.24 1j3u s GLU 8 N 1.74 1.54 -0.18 3.50 2.02 -0.29 -4.93 118.70 122.10 1j3u s GLU 8 Ca -0.07 -0.65 -0.29 0.00 0.02 0.00 0.00 54.97 53.98 1j3u s GLU 8 Cb -0.05 -1.46 -0.03 0.00 0.10 0.00 0.00 34.13 32.70 1j3u s GLU 8 CO -0.16 0.37 1.48 -1.59 0.02 0.00 0.00 175.26 175.38 1j3u s LYS 9 N -0.36 4.03 -0.01 1.61 0.00 -1.26 -2.42 119.74 121.33 1j3u s LYS 9 Ca 0.05 1.72 0.04 0.00 0.00 0.00 0.00 55.97 57.78 1j3u s LYS 9 Cb -0.08 -3.92 -0.01 0.00 0.00 0.00 0.00 37.83 33.82 1j3u s LYS 9 CO -0.00 -0.99 -0.12 0.34 0.00 0.00 0.00 175.35 174.57 1j3u s ASP 10 N 3.15 1.44 0.62 0.03 -1.08 -0.53 -5.01 116.67 115.29 1j3u s ASP 10 Ca 0.65 -0.22 0.28 0.00 -0.52 0.00 0.00 52.55 52.74 1j3u s ASP 10 Cb -0.25 -0.19 1.49 0.00 -1.46 0.00 0.00 42.92 42.51 1j3u s ASP 10 CO 0.24 0.14 1.88 2.19 0.52 0.00 0.00 175.17 180.14 1j3u h PHE 11 N 5.91 0.00 -0.25 -5.34 -5.15 -2.03 1.35 116.94 111.44 1j3u h PHE 11 Ca -0.33 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.44 1j3u h PHE 11 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.34 1j3u h PHE 11 CO 0.41 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 178.00 1j3u n LEU 12 N -3.38 1.63 0.00 2.10 4.77 -1.26 -5.02 117.00 115.84 1j3u n LEU 12 Ca 0.04 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 1j3u n LEU 12 Cb 0.57 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1j3u n LEU 12 CO 0.22 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1j3u n GLY 13 N 1.05 0.62 3.68 -0.72 0.00 0.46 -5.00 105.19 105.28 1j3u n GLY 13 Ca 0.13 -2.32 -0.39 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.91 4.24 0.21 1.61 2.02 -1.26 -1.46 118.70 123.14 1j3u s GLU 14 Ca 0.00 0.48 0.09 0.00 0.02 0.00 0.00 54.97 55.56 1j3u s GLU 14 Cb 0.00 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 1j3u s GLU 14 CO 0.00 -0.10 -0.06 0.15 0.02 0.00 0.00 175.26 175.28 1j3u s LYS 15 N 1.45 2.17 -0.09 1.61 3.01 -1.01 -4.91 119.74 121.97 1j3u s LYS 15 Ca 0.26 -1.30 -0.10 0.00 -1.01 0.00 0.00 55.97 53.82 1j3u s LYS 15 Cb -0.16 -2.18 -0.05 0.00 -1.01 0.00 0.00 37.83 34.44 1j3u s LYS 15 CO 0.10 0.42 0.23 -1.21 0.51 0.00 0.00 175.35 175.40 1j3u s GLU 16 N -3.10 3.66 -0.06 1.68 2.02 -1.26 -1.14 118.70 120.49 1j3u s GLU 16 Ca 0.27 0.05 0.02 0.00 0.02 0.00 0.00 54.97 55.33 1j3u s GLU 16 Cb -0.08 -3.22 0.01 0.00 0.10 0.00 0.00 34.13 30.94 1j3u s GLU 16 CO 0.17 0.71 -0.11 0.42 0.02 0.00 0.00 175.26 176.47 1j3u s ILE 17 N -0.93 1.08 0.19 -1.63 -1.09 -1.25 -4.94 121.20 112.64 1j3u s ILE 17 Ca 0.18 -0.44 -0.32 0.00 -2.23 0.00 0.00 60.65 57.83 1j3u s ILE 17 Cb -0.14 -1.00 -0.15 0.00 -1.58 0.00 0.00 42.46 39.60 1j3u s ILE 17 CO 0.07 0.34 1.27 -2.65 -1.23 0.00 0.00 174.94 172.75 1j3u n PRO 18 N 3.86 1.51 0.28 2.79 -0.02 -1.26 -2.95 135.00 139.21 1j3u n PRO 18 Ca -0.23 0.54 0.18 0.00 -2.02 0.00 0.00 63.50 61.97 1j3u n PRO 18 Cb 0.52 -2.11 0.94 0.00 -0.02 0.00 0.00 33.50 32.83 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 3.83 0.00 0.00 -0.52 -0.00 -1.99 -0.36 116.57 117.52 1j3u h LYS 19 Ca -0.44 0.00 -0.11 0.00 -0.00 0.00 0.00 60.65 60.09 1j3u h LYS 19 Cb 1.32 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.53 1j3u h LYS 19 CO 0.73 0.00 -0.99 -0.44 -0.00 0.00 0.00 179.45 178.75 1j3u h ASP 20 N 0.00 0.00 -4.13 7.07 3.32 -1.95 -3.47 116.42 117.25 1j3u h ASP 20 Ca 0.04 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.59 1j3u h ASP 20 Cb 0.42 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.04 1j3u h ASP 20 CO -0.00 0.44 0.40 0.00 -1.72 0.00 0.00 179.24 178.35 1j3u s ALA 21 N -3.02 2.69 -0.29 3.45 0.00 -0.15 -4.99 121.76 119.45 1j3u s ALA 21 Ca 0.00 0.62 0.10 0.00 0.00 0.00 0.00 51.96 52.68 1j3u s ALA 21 Cb 0.08 -3.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.78 1j3u s ALA 21 CO 0.78 -0.80 0.34 0.66 0.00 0.00 0.00 175.76 176.74 1j3u n TYR 22 N -1.65 0.00 -2.15 0.00 4.02 -1.26 -4.91 117.16 111.21 1j3u n TYR 22 Ca 0.10 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.67 1j3u n TYR 22 Cb 0.52 -0.08 -0.01 0.00 -0.02 0.00 0.00 39.34 39.74 1j3u n TYR 22 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 1j3u s TYR 23 N -2.20 3.44 0.11 -0.72 1.13 -1.26 -3.18 117.35 114.67 1j3u s TYR 23 Ca 0.01 1.42 0.01 0.00 -1.41 0.00 0.00 57.07 57.09 1j3u s TYR 23 Cb 0.07 -2.80 0.01 0.00 -1.10 0.00 0.00 41.96 38.14 1j3u s TYR 23 CO 0.40 -0.59 0.06 0.41 -2.51 0.00 0.00 175.55 173.32 1j3u n GLY 24 N -1.89 3.34 0.36 5.49 0.00 -1.26 -4.96 105.19 106.27 1j3u n GLY 24 Ca 0.07 -2.21 0.02 0.00 0.00 0.00 0.00 46.02 43.90 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 0.04 -0.69 1.61 -1.51 -1.94 -0.68 116.25 113.78 1j3u h VAL 25 Ca -0.08 0.00 0.13 0.00 -1.23 0.00 0.00 66.70 65.52 1j3u h VAL 25 Cb 0.26 0.04 -0.09 0.00 -2.13 0.00 0.00 31.29 29.37 1j3u h VAL 25 CO 0.12 0.00 0.22 1.56 -1.23 0.00 0.00 177.57 178.24 1j3u h GLN 26 N -0.01 0.34 -0.45 5.19 4.20 -1.95 0.26 115.11 122.69 1j3u h GLN 26 Ca 0.40 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.06 1j3u h GLN 26 Cb 0.65 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1j3u h GLN 26 CO -0.97 0.23 0.16 1.15 -0.67 0.00 0.00 178.83 178.73 1j3u h THR 27 N 0.35 1.22 -0.19 -0.54 2.02 -1.46 -1.33 112.91 112.98 1j3u h THR 27 Ca 0.37 -0.69 0.03 0.00 0.77 0.00 0.00 66.41 66.89 1j3u h THR 27 Cb 0.56 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1j3u h THR 27 CO -0.41 0.25 0.01 0.40 0.37 0.00 0.00 175.52 176.15 1j3u h ILE 28 N 0.59 0.88 -0.65 3.11 1.08 -0.93 0.13 117.51 121.73 1j3u h ILE 28 Ca 0.15 -0.03 0.11 0.00 -0.39 0.00 0.00 64.86 64.70 1j3u h ILE 28 Cb 0.23 0.79 -0.08 0.00 -3.07 0.00 0.00 36.82 34.70 1j3u h ILE 28 CO -0.01 0.01 0.23 0.03 -0.69 0.00 0.00 178.15 177.73 1j3u h ARG 29 N 0.08 0.39 -0.76 2.37 -0.00 -0.73 0.11 114.38 115.84 1j3u h ARG 29 Ca 0.09 -0.02 0.02 0.00 -0.50 0.00 0.00 59.98 59.57 1j3u h ARG 29 Cb 0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 29.97 29.94 1j3u h ARG 29 CO -0.14 0.26 0.49 0.00 0.00 0.00 0.00 179.97 180.57 1j3u h ALA 30 N 1.46 0.98 -0.86 0.04 0.00 -0.06 0.34 119.26 121.16 1j3u h ALA 30 Ca 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1j3u h ALA 30 Cb 0.45 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1j3u h ALA 30 CO -0.35 0.31 0.53 1.15 0.00 0.00 0.00 179.25 180.89 1j3u h THR 31 N 0.96 1.23 0.04 0.00 2.02 0.16 -0.62 112.91 116.70 1j3u h THR 31 Ca 0.30 -0.49 -0.26 0.00 0.77 0.00 0.00 66.41 66.72 1j3u h THR 31 Cb -0.02 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 66.41 1j3u h THR 31 CO -0.10 0.24 -1.08 -0.33 0.37 0.00 0.00 175.52 174.63 1j3u h GLU 32 N 1.19 0.55 -0.13 6.66 5.08 0.09 -3.29 114.58 124.73 1j3u h GLU 32 Ca 0.31 -0.65 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 1j3u h GLU 32 Cb -0.07 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1j3u h GLU 32 CO -0.06 1.26 -0.06 -0.91 -1.00 0.00 0.00 179.01 178.24 1j3u h ASN 33 N 0.29 0.27 -2.17 1.42 2.35 -0.09 -3.39 115.58 114.25 1j3u h ASN 33 Ca -0.13 -0.41 -0.59 0.00 -0.55 0.00 0.00 56.30 54.62 1j3u h ASN 33 Cb 1.73 -0.07 -0.42 0.00 0.05 0.00 0.00 38.32 39.61 1j3u h ASN 33 CO 0.20 0.62 -0.65 0.49 -1.65 0.00 0.00 177.43 176.43 1j3u n PHE 34 N -4.69 3.25 -2.34 1.19 3.01 -0.27 -4.95 117.46 112.67 1j3u n PHE 34 Ca -0.06 -4.09 -0.42 0.00 1.01 0.00 0.00 57.45 53.90 1j3u n PHE 34 Cb 0.28 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 39.22 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 0.83 4.21 -0.03 -1.08 -0.04 -1.24 -4.47 135.00 133.19 1j3u n PRO 35 Ca 0.29 -3.74 -0.01 0.00 -0.04 0.00 0.00 63.50 60.00 1j3u n PRO 35 Cb 0.42 -2.73 -0.00 0.00 -0.04 0.00 0.00 33.50 31.15 1j3u n PRO 35 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1j3u h ILE 36 N 3.20 0.00 0.04 0.52 1.08 -1.92 -3.44 117.51 116.98 1j3u h ILE 36 Ca 0.48 -0.45 -0.38 0.00 -0.39 0.00 0.00 64.86 64.12 1j3u h ILE 36 Cb 0.49 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.19 1j3u h ILE 36 CO 1.50 0.00 -2.33 0.35 -0.69 0.00 0.00 178.15 176.99 1j3u n THR 37 N -3.27 1.58 -0.15 -0.27 -2.24 -1.26 -4.99 114.28 103.67 1j3u n THR 37 Ca -0.01 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1j3u n THR 37 Cb 0.05 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 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 2.14 0.65 3.85 3.38 0.00 -1.26 -5.07 105.19 108.89 1j3u n GLY 38 Ca -0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.23 3.41 -0.01 1.61 4.12 -1.26 -5.06 117.35 117.93 1j3u s TYR 39 Ca 0.00 1.31 0.04 0.00 0.02 0.00 0.00 57.07 58.44 1j3u s TYR 39 Cb 0.00 -2.81 -0.03 0.00 -1.52 0.00 0.00 41.96 37.60 1j3u s TYR 39 CO 0.00 -0.94 -0.13 1.03 0.02 0.00 0.00 175.55 175.53 1j3u s ARG 40 N -5.15 2.43 0.59 -0.62 1.81 -1.26 -4.12 118.95 112.62 1j3u s ARG 40 Ca 0.56 -0.76 -0.19 0.00 -1.72 0.00 0.00 55.73 53.62 1j3u s ARG 40 Cb -0.12 -2.38 -0.05 0.00 -0.45 0.00 0.00 34.95 31.95 1j3u s ARG 40 CO 0.54 0.60 1.11 0.44 -0.68 0.00 0.00 175.30 177.31 1j3u n ILE 41 N 1.90 3.87 -1.67 1.52 -5.35 -1.26 -4.86 119.36 113.51 1j3u n ILE 41 Ca -0.16 -0.50 -0.44 0.00 -0.27 0.00 0.00 62.75 61.37 1j3u n ILE 41 Cb 0.52 -1.32 -0.02 0.00 -1.74 0.00 0.00 39.64 37.09 1j3u n ILE 41 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1j3u n HIS 42 N -1.53 2.17 0.01 4.28 -0.00 -1.26 -4.81 115.22 114.08 1j3u n HIS 42 Ca 0.13 0.47 0.22 0.00 -0.00 0.00 0.00 57.72 58.54 1j3u n HIS 42 Cb 0.46 -2.44 0.72 0.00 -0.00 0.00 0.00 29.99 28.73 1j3u n HIS 42 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1j3u h PRO 43 N 3.79 0.00 -0.11 1.57 0.13 -1.97 0.93 132.00 136.35 1j3u h PRO 43 Ca -0.45 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 1j3u h PRO 43 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1j3u h PRO 43 CO 0.72 0.00 -0.55 1.49 -0.23 0.00 0.00 178.00 179.44 1j3u h GLU 44 N 0.00 0.32 -0.37 0.86 4.57 -1.98 0.18 114.58 118.17 1j3u h GLU 44 Ca 0.26 -0.20 -0.13 0.00 -1.18 0.00 0.00 59.36 58.10 1j3u h GLU 44 Cb 1.28 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 1j3u h GLU 44 CO -0.00 0.79 -0.29 1.25 -1.18 0.00 0.00 179.01 179.57 1j3u h LEU 45 N 0.25 0.90 0.44 1.64 6.46 -1.18 0.12 115.31 123.93 1j3u h LEU 45 Ca 0.00 -0.45 -0.01 0.00 -0.12 0.00 0.00 57.88 57.31 1j3u h LEU 45 Cb 1.04 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 1j3u h LEU 45 CO 0.09 1.15 -0.37 0.40 -0.62 0.00 0.00 178.44 179.09 1j3u h ILE 46 N 0.65 0.24 -0.68 4.05 2.04 -1.08 0.28 117.51 123.00 1j3u h ILE 46 Ca 0.07 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.06 1j3u h ILE 46 Cb 0.87 0.24 -0.09 0.00 -0.74 0.00 0.00 36.82 37.10 1j3u h ILE 46 CO 0.08 0.00 0.21 0.50 0.00 0.00 0.00 178.15 178.94 1j3u h LYS 47 N -0.81 0.34 -0.44 2.37 3.64 -0.49 -0.20 116.57 120.97 1j3u h LYS 47 Ca -0.04 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1j3u h LYS 47 Cb 0.71 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1j3u h LYS 47 CO -0.03 0.22 -0.01 0.77 -2.27 0.00 0.00 179.45 178.13 1j3u h SER 48 N 0.35 0.69 -0.77 4.20 0.02 -0.35 -1.26 113.55 116.43 1j3u h SER 48 Ca 0.36 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1j3u h SER 48 Cb 0.55 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 1j3u h SER 48 CO -0.41 0.76 0.38 -0.07 -1.14 0.00 0.00 176.83 176.35 1j3u h LEU 49 N 0.67 1.00 0.02 5.07 -0.00 0.12 0.93 115.31 123.12 1j3u h LEU 49 Ca 0.13 -0.13 0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1j3u h LEU 49 Cb 0.43 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.81 1j3u h LEU 49 CO 0.02 0.85 -0.12 1.23 -0.00 0.00 0.00 178.44 180.41 1j3u h GLY 50 N 1.08 -0.17 0.55 0.83 0.00 -0.31 0.66 103.07 105.71 1j3u h GLY 50 Ca 0.26 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.79 1j3u h GLY 50 CO -0.03 -0.13 -0.01 -2.22 0.00 0.00 0.00 176.54 174.15 1j3u h ILE 51 N -0.22 0.79 -0.57 2.60 2.04 -0.69 0.43 117.51 121.90 1j3u h ILE 51 Ca 0.04 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.92 1j3u h ILE 51 Cb 0.26 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1j3u h ILE 51 CO -0.11 0.01 0.30 0.58 0.00 0.00 0.00 178.15 178.94 1j3u h VAL 52 N 0.07 0.97 -0.43 1.67 2.07 -0.35 -0.03 116.25 120.21 1j3u h VAL 52 Ca 0.13 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 1j3u h VAL 52 Cb 0.18 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1j3u h VAL 52 CO -0.23 0.11 -0.10 0.11 0.02 0.00 0.00 177.57 177.47 1j3u h LYS 53 N 0.58 0.83 0.05 1.57 1.79 -0.43 -2.34 116.57 118.62 1j3u h LYS 53 Ca 0.25 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1j3u h LYS 53 Cb 0.14 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1j3u h LYS 53 CO -0.16 0.94 -0.02 -0.22 -1.08 0.00 0.00 179.45 178.91 1j3u h LYS 54 N 0.66 -0.06 0.00 3.15 3.64 -0.61 -1.47 116.57 121.88 1j3u h LYS 54 Ca 0.11 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1j3u h LYS 54 Cb 0.63 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1j3u h LYS 54 CO 0.04 0.02 -0.05 0.77 -2.27 0.00 0.00 179.45 177.96 1j3u h SER 55 N -0.12 0.00 0.09 4.20 0.02 -0.98 -2.19 113.55 114.57 1j3u h SER 55 Ca -0.01 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 1j3u h SER 55 Cb 0.10 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.66 1j3u h SER 55 CO 0.01 0.05 -0.61 0.00 -1.14 0.00 0.00 176.83 175.14 1j3u h ALA 56 N 1.95 -0.04 -0.34 3.77 0.00 -1.16 -2.84 119.26 120.61 1j3u h ALA 56 Ca -0.00 -0.63 0.07 0.00 0.00 0.00 0.00 54.91 54.35 1j3u h ALA 56 Cb 0.09 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1j3u h ALA 56 CO 0.01 0.29 -0.09 0.00 0.00 0.00 0.00 179.25 179.45 1j3u h ALA 57 N 0.12 0.21 0.12 0.00 0.00 -0.98 0.59 119.26 119.32 1j3u h ALA 57 Ca -0.10 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1j3u h ALA 57 Cb 1.44 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1j3u h ALA 57 CO 0.11 -0.47 -0.27 -0.07 0.00 0.00 0.00 179.25 178.56 1j3u h LEU 58 N -0.01 -0.78 -1.08 0.00 4.07 -1.49 0.12 115.31 116.14 1j3u h LEU 58 Ca 0.16 0.08 0.19 0.00 0.08 0.00 0.00 57.88 58.39 1j3u h LEU 58 Cb 0.26 0.28 -0.10 0.00 1.08 0.00 0.00 40.66 42.18 1j3u h LEU 58 CO -0.35 -0.30 0.61 0.00 -1.08 0.00 0.00 178.44 177.32 1j3u h ALA 59 N -1.12 1.74 -0.67 1.53 0.00 -1.32 0.17 119.26 119.58 1j3u h ALA 59 Ca -0.01 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1j3u h ALA 59 Cb 0.40 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1j3u h ALA 59 CO -0.11 -0.09 0.20 -0.91 0.00 0.00 0.00 179.25 178.34 1j3u h ASN 60 N 0.74 0.97 0.05 0.00 2.35 -0.34 0.38 115.58 119.73 1j3u h ASN 60 Ca 0.56 -0.18 -0.14 0.00 -0.55 0.00 0.00 56.30 55.99 1j3u h ASN 60 Cb 0.90 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 1j3u h ASN 60 CO -0.34 0.92 -0.46 0.24 -1.65 0.00 0.00 177.43 176.13 1j3u h MET 61 N 1.00 0.49 -0.22 0.81 2.86 0.13 0.80 114.93 120.80 1j3u h MET 61 Ca 0.22 -0.27 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 1j3u h MET 61 Cb 0.30 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1j3u h MET 61 CO -0.01 0.85 -0.29 1.49 1.06 0.00 0.00 176.91 180.01 1j3u h GLU 62 N 0.39 0.58 0.00 1.72 4.81 -0.54 -2.00 114.58 119.55 1j3u h GLU 62 Ca 0.02 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1j3u h GLU 62 Cb 0.96 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1j3u h GLU 62 CO 0.08 0.94 0.00 0.28 -0.73 0.00 0.00 179.01 179.58 1j3u n VAL 63 N -4.33 0.37 -1.72 0.32 0.31 0.08 -4.87 118.33 108.49 1j3u n VAL 63 Ca -0.05 0.09 -0.05 0.00 -0.01 0.00 0.00 64.34 64.32 1j3u n VAL 63 Cb 0.47 -0.73 -0.01 0.00 -0.91 0.00 0.00 33.84 32.66 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 0.62 0.40 0.08 2.92 0.00 -0.52 -4.94 105.19 103.76 1j3u n GLY 64 Ca 0.09 -0.74 0.11 0.00 0.00 0.00 0.00 46.02 45.48 1j3u n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j3u n LEU 65 N -0.66 0.67 -4.35 0.99 4.77 0.27 -4.84 117.00 113.85 1j3u n LEU 65 Ca -0.06 0.22 -0.33 0.00 -0.03 0.00 0.00 56.01 55.81 1j3u n LEU 65 Cb 0.40 -0.07 -0.15 0.00 -2.33 0.00 0.00 43.42 41.27 1j3u n LEU 65 CO 0.07 -0.11 -0.48 -0.22 -1.33 0.00 0.00 177.39 175.32 1j3u s LEU 66 N -4.91 2.57 -0.03 2.23 2.96 -0.84 -4.97 118.68 115.68 1j3u s LEU 66 Ca -0.00 -0.37 -0.35 0.00 -0.22 0.00 0.00 54.13 53.19 1j3u s LEU 66 Cb 0.11 -1.55 -0.14 0.00 0.50 0.00 0.00 46.19 45.11 1j3u s LEU 66 CO 0.80 0.19 1.71 -0.67 -1.32 0.00 0.00 176.35 177.06 1j3u n ASP 67 N 3.35 2.96 0.32 3.68 2.03 -1.26 -4.37 116.55 123.26 1j3u n ASP 67 Ca -0.18 1.04 0.21 0.00 0.52 0.00 0.00 54.79 56.38 1j3u n ASP 67 Cb 0.53 -1.33 1.05 0.00 -0.72 0.00 0.00 41.12 40.65 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 7.41 0.00 0.08 -0.67 1.57 -1.95 0.63 116.57 123.65 1j3u h LYS 68 Ca -0.47 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1j3u h LYS 68 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1j3u h LYS 68 CO 0.91 0.00 -0.04 1.49 -0.57 0.00 0.00 179.45 181.25 1j3u h GLU 69 N 0.00 -0.11 0.13 3.15 4.57 -2.00 -2.93 114.58 117.40 1j3u h GLU 69 Ca -0.00 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1j3u h GLU 69 Cb 0.17 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1j3u h GLU 69 CO 0.00 0.43 -0.06 0.28 -1.18 0.00 0.00 179.01 178.48 1j3u h VAL 70 N -0.76 1.04 0.00 0.32 2.07 -1.90 -3.02 116.25 114.00 1j3u h VAL 70 Ca -0.01 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1j3u h VAL 70 Cb 0.58 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1j3u h VAL 70 CO 0.02 0.24 0.03 0.61 0.02 0.00 0.00 177.57 178.50 1j3u n GLY 71 N 0.36 -0.38 0.14 2.17 0.00 0.20 -1.04 105.19 106.63 1j3u n GLY 71 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 1j3u n GLY 71 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1j3u h GLN 72 N 0.00 0.42 0.06 1.61 5.75 -1.38 -3.23 115.11 118.35 1j3u h GLN 72 Ca 0.00 -0.72 -0.24 0.00 -0.15 0.00 0.00 58.65 57.54 1j3u h GLN 72 Cb 0.07 0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 1j3u h GLN 72 CO 0.00 1.34 -1.07 1.88 -2.65 0.00 0.00 178.83 178.33 1j3u h TYR 73 N -0.06 0.38 -0.75 3.99 -1.99 -1.13 -3.25 116.97 114.16 1j3u h TYR 73 Ca -0.25 -0.25 0.08 0.00 2.00 0.00 0.00 58.73 60.32 1j3u h TYR 73 Cb 1.97 -0.03 -0.07 0.00 2.00 0.00 0.00 36.73 40.61 1j3u h TYR 73 CO 0.14 1.14 0.41 0.82 -0.00 0.00 0.00 178.16 180.68 1j3u h ILE 74 N 0.09 0.91 0.66 -2.88 2.04 -1.46 -1.42 117.51 115.45 1j3u h ILE 74 Ca -0.08 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1j3u h ILE 74 Cb 1.77 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1j3u h ILE 74 CO 0.17 0.13 -0.47 0.58 0.00 0.00 0.00 178.15 178.56 1j3u h VAL 75 N 0.71 0.00 -0.47 1.67 2.07 -1.59 0.27 116.25 118.91 1j3u h VAL 75 Ca 0.36 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.01 1j3u h VAL 75 Cb 0.31 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1j3u h VAL 75 CO -0.24 0.00 0.50 0.11 0.02 0.00 0.00 177.57 177.97 1j3u h LYS 76 N -1.08 0.00 0.02 1.57 1.57 -1.55 0.33 116.57 117.45 1j3u h LYS 76 Ca -0.09 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1j3u h LYS 76 Cb 0.88 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.20 1j3u h LYS 76 CO 0.05 0.00 -0.33 0.00 -0.57 0.00 0.00 179.45 178.60 1j3u h ALA 77 N 1.43 0.01 -0.18 3.86 0.00 -0.32 -2.55 119.26 121.50 1j3u h ALA 77 Ca 0.22 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1j3u h ALA 77 Cb 1.23 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1j3u h ALA 77 CO -0.00 0.14 -0.04 0.00 0.00 0.00 0.00 179.25 179.35 1j3u h ALA 78 N 0.18 1.61 -0.50 0.00 0.00 0.24 -1.71 119.26 119.08 1j3u h ALA 78 Ca -0.05 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1j3u h ALA 78 Cb 1.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1j3u h ALA 78 CO 0.06 0.29 -0.17 -0.44 0.00 0.00 0.00 179.25 179.00 1j3u h ASP 79 N 0.26 0.99 -0.26 0.00 3.45 -0.51 0.11 116.42 120.46 1j3u h ASP 79 Ca 0.06 -0.35 -0.04 0.00 0.43 0.00 0.00 57.03 57.13 1j3u h ASP 79 Cb 0.24 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 1j3u h ASP 79 CO 0.01 1.14 0.04 -0.33 -1.57 0.00 0.00 179.24 178.53 1j3u h GLU 80 N 0.86 0.54 -0.01 3.56 5.08 -0.90 0.33 114.58 124.05 1j3u h GLU 80 Ca 0.12 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1j3u h GLU 80 Cb 0.73 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1j3u h GLU 80 CO 0.06 0.54 -0.00 0.28 -1.00 0.00 0.00 179.01 178.89 1j3u h VAL 81 N 0.53 1.27 -0.83 3.13 2.07 -0.78 -1.70 116.25 119.92 1j3u h VAL 81 Ca 0.12 -0.79 0.10 0.00 0.82 0.00 0.00 66.70 66.95 1j3u h VAL 81 Cb 0.28 1.78 -0.08 0.00 -1.52 0.00 0.00 31.29 31.75 1j3u h VAL 81 CO 0.00 0.21 0.47 0.40 0.02 0.00 0.00 177.57 178.67 1j3u h ILE 82 N -0.31 0.88 0.00 4.57 2.04 -0.23 0.12 117.51 124.58 1j3u h ILE 82 Ca 0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1j3u h ILE 82 Cb 0.34 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1j3u h ILE 82 CO 0.00 0.14 0.00 -0.62 0.00 0.00 0.00 178.15 177.67 1j3u n GLU 83 N -4.76 0.43 -2.80 2.37 1.02 0.06 -4.72 120.64 112.24 1j3u n GLU 83 Ca 0.14 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.20 1j3u n GLU 83 Cb 0.30 -1.48 0.03 0.00 -0.02 0.00 0.00 31.44 30.28 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 -0.13 0.24 0.92 0.62 0.00 0.44 -4.94 105.19 102.33 1j3u n GLY 84 Ca 0.10 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.33 2.51 -2.37 1.61 4.01 -0.65 -4.52 118.16 116.42 1j3u n LYS 85 Ca -0.05 -2.18 -0.00 0.00 -0.51 0.00 0.00 58.31 55.57 1j3u n LYS 85 Cb 0.54 -1.40 0.05 0.00 -0.51 0.00 0.00 35.03 33.72 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 1.04 0.07 0.72 2.13 7.02 -1.26 -4.90 117.44 122.26 1j3u n TRP 86 Ca 0.16 -1.57 0.08 0.00 -1.02 0.00 0.00 57.50 55.16 1j3u n TRP 86 Cb 0.50 0.30 0.40 0.00 -2.42 0.00 0.00 31.31 30.10 1j3u n TRP 86 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1j3u n ASN 87 N -0.57 0.00 0.06 -0.99 3.02 -1.26 -2.03 115.26 113.48 1j3u n ASN 87 Ca -0.03 0.24 0.11 0.00 -0.03 0.00 0.00 54.58 54.87 1j3u n ASN 87 Cb 0.88 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 39.65 1j3u n ASN 87 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1j3u n ASP 88 N -1.38 0.61 0.16 6.41 10.43 -1.26 -3.90 116.55 127.62 1j3u n ASP 88 Ca 0.06 0.12 0.13 0.00 2.57 0.00 0.00 54.79 57.68 1j3u n ASP 88 Cb 0.16 0.83 0.42 0.00 1.84 0.00 0.00 41.12 44.38 1j3u n ASP 88 CO 0.00 0.00 0.00 1.56 -1.07 0.00 0.00 177.20 177.69 1j3u h GLN 89 N 0.00 0.00 -4.78 -1.24 1.08 -1.80 -3.39 115.11 104.98 1j3u h GLN 89 Ca 0.00 0.00 -0.70 0.00 -1.45 0.00 0.00 58.65 56.50 1j3u h GLN 89 Cb 0.92 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.16 1j3u h GLN 89 CO 0.00 0.00 0.43 -0.06 -0.95 0.00 0.00 178.83 178.25 1j3u s PHE 90 N -3.26 3.11 -0.72 2.96 0.40 -1.25 -4.61 117.98 114.61 1j3u s PHE 90 Ca 0.07 -1.21 0.15 0.00 -0.60 0.00 0.00 56.93 55.33 1j3u s PHE 90 Cb 0.10 -4.12 -0.16 0.00 0.51 0.00 0.00 43.02 39.35 1j3u s PHE 90 CO 0.55 -1.37 0.64 0.44 0.70 0.00 0.00 175.22 176.18 1j3u n ILE 91 N 5.34 0.00 -0.74 0.64 -5.35 -1.26 -4.60 119.36 113.39 1j3u n ILE 91 Ca 0.07 -0.15 -0.32 0.00 -0.27 0.00 0.00 62.75 62.08 1j3u n ILE 91 Cb 0.46 1.00 0.16 0.00 -1.74 0.00 0.00 39.64 39.52 1j3u n ILE 91 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1j3u n VAL 92 N -1.33 0.26 -3.06 7.28 0.24 -1.26 -4.90 118.33 115.55 1j3u n VAL 92 Ca 0.03 -0.05 -0.39 0.00 -2.04 0.00 0.00 64.34 61.89 1j3u n VAL 92 Cb 0.24 -0.98 -0.06 0.00 -1.47 0.00 0.00 33.84 31.57 1j3u n VAL 92 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1j3u s ASP 93 N -2.50 7.23 0.35 -1.34 -1.08 -1.26 -4.32 116.67 113.75 1j3u s ASP 93 Ca 0.67 1.46 0.07 0.00 -0.52 0.00 0.00 52.55 54.23 1j3u s ASP 93 Cb -0.24 -2.45 0.77 0.00 -1.46 0.00 0.00 42.92 39.55 1j3u s ASP 93 CO 0.58 0.15 1.90 -0.65 0.52 0.00 0.00 175.17 177.67 1j3u h PRO 94 N 4.90 0.72 -4.49 4.34 0.11 -1.91 -3.30 132.00 132.36 1j3u h PRO 94 Ca -0.46 -0.04 -0.72 0.00 0.11 0.00 0.00 66.00 64.88 1j3u h PRO 94 Cb 1.21 -0.16 -0.21 0.00 0.11 0.00 0.00 31.00 31.94 1j3u h PRO 94 CO 0.67 0.47 0.06 0.42 -0.21 0.00 0.00 178.00 179.41 1j3u s ILE 95 N -5.69 4.97 0.04 4.15 1.01 -1.26 -4.21 121.20 120.20 1j3u s ILE 95 Ca -0.10 -1.24 -0.01 0.00 0.00 0.00 0.00 60.65 59.30 1j3u s ILE 95 Cb 0.21 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 1j3u s ILE 95 CO 0.78 -1.07 -0.03 0.00 0.00 0.00 0.00 174.94 174.62 1j3u s GLN 96 N 2.25 0.55 0.82 2.79 -2.07 -1.25 -4.67 119.66 118.08 1j3u s GLN 96 Ca 0.11 -1.09 -0.08 0.00 -1.82 0.00 0.00 55.36 52.47 1j3u s GLN 96 Cb -0.24 0.19 0.14 0.00 -1.09 0.00 0.00 33.01 32.01 1j3u s GLN 96 CO 0.04 -0.10 1.13 0.20 -1.32 0.00 0.00 175.29 175.24 1j3u s GLY 97 N -2.61 1.76 0.00 2.60 0.00 -1.26 -4.46 107.32 103.34 1j3u s GLY 97 Ca 0.02 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1j3u s GLY 97 CO -0.08 -0.75 0.00 0.61 0.00 0.00 0.00 173.10 172.88 1j3u n GLY 98 N -3.23 0.49 3.01 0.20 0.00 -1.26 -4.20 105.19 100.21 1j3u n GLY 98 Ca 0.14 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 0.46 -1.04 -0.06 4.61 0.00 -1.23 -0.67 120.51 122.58 1j3u n ALA 99 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1j3u n ALA 99 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.69 0.55 0.36 0.00 0.00 -1.26 -4.76 105.19 99.39 1j3u n GLY 100 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 1.01 0.00 2.61 2.02 -1.16 -1.75 112.91 115.64 1j3u h THR 101 Ca 0.00 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 1j3u h THR 101 Cb 0.00 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 1j3u h THR 101 CO 0.00 0.16 -0.47 0.28 0.37 0.00 0.00 175.52 175.86 1j3u h SER 102 N 0.86 0.00 0.26 4.18 0.02 -1.84 -0.93 113.55 116.09 1j3u h SER 102 Ca 0.37 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.13 1j3u h SER 102 Cb 0.31 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1j3u h SER 102 CO -0.14 0.47 -0.75 0.40 -1.14 0.00 0.00 176.83 175.67 1j3u h ILE 103 N 0.00 1.38 0.20 3.27 2.04 -1.73 -0.16 117.51 122.51 1j3u h ILE 103 Ca -0.00 -2.17 -0.01 0.00 1.00 0.00 0.00 64.86 63.68 1j3u h ILE 103 Cb 0.86 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1j3u h ILE 103 CO 0.06 0.65 -0.10 -1.13 0.00 0.00 0.00 178.15 177.64 1j3u h ASN 104 N 0.28 -0.23 -0.72 1.72 -1.24 -1.20 -2.91 115.58 111.29 1j3u h ASN 104 Ca -0.04 -0.22 -0.00 0.00 0.71 0.00 0.00 56.30 56.75 1j3u h ASN 104 Cb 1.33 0.06 -0.04 0.00 0.73 0.00 0.00 38.32 40.41 1j3u h ASN 104 CO 0.13 0.12 0.45 0.24 -1.29 0.00 0.00 177.43 177.07 1j3u h MET 105 N -0.59 0.97 -0.96 6.67 2.86 -1.15 0.16 114.93 122.89 1j3u h MET 105 Ca -0.03 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1j3u h MET 105 Cb 0.44 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 1j3u h MET 105 CO 0.04 0.67 0.63 -0.97 1.06 0.00 0.00 176.91 178.35 1j3u h ASN 106 N 0.99 1.09 -0.07 1.22 -0.00 -1.01 0.18 115.58 117.97 1j3u h ASN 106 Ca 0.26 -0.03 -0.22 0.00 -0.00 0.00 0.00 56.30 56.31 1j3u h ASN 106 Cb -0.06 -0.27 0.01 0.00 -0.00 0.00 0.00 38.32 38.01 1j3u h ASN 106 CO -0.05 0.78 -0.82 0.00 -0.00 0.00 0.00 177.43 177.34 1j3u h ALA 107 N 1.36 0.20 -0.73 1.57 0.00 -1.12 -2.71 119.26 117.83 1j3u h ALA 107 Ca 0.35 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1j3u h ALA 107 Cb -0.13 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1j3u h ALA 107 CO -0.08 0.61 0.47 -0.91 0.00 0.00 0.00 179.25 179.34 1j3u h ASN 108 N 0.36 0.84 0.36 0.00 2.35 -0.13 -1.08 115.58 118.27 1j3u h ASN 108 Ca -0.08 -0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 55.48 1j3u h ASN 108 Cb 1.47 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 1j3u h ASN 108 CO 0.17 0.62 -0.65 -0.33 -1.65 0.00 0.00 177.43 175.58 1j3u h GLU 109 N 0.98 0.27 -0.21 0.81 5.08 -0.72 -1.22 114.58 119.59 1j3u h GLU 109 Ca 0.26 -0.20 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 1j3u h GLU 109 Cb -0.10 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.19 1j3u h GLU 109 CO -0.06 0.83 -0.65 0.28 -1.00 0.00 0.00 179.01 178.41 1j3u h VAL 110 N 0.20 1.28 0.00 3.13 2.07 -1.28 -1.94 116.25 119.71 1j3u h VAL 110 Ca -0.01 -1.85 -0.08 0.00 0.82 0.00 0.00 66.70 65.58 1j3u h VAL 110 Cb 1.18 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1j3u h VAL 110 CO 0.10 0.59 -0.39 0.40 0.02 0.00 0.00 177.57 178.29 1j3u h ILE 111 N 0.55 0.88 0.00 4.57 2.04 -1.21 -2.39 117.51 121.96 1j3u h ILE 111 Ca -0.02 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.23 1j3u h ILE 111 Cb 1.27 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1j3u h ILE 111 CO 0.14 0.38 -0.00 0.00 0.00 0.00 0.00 178.15 178.67 1j3u h ALA 112 N 1.61 -0.01 -0.17 1.87 0.00 -1.14 -2.63 119.26 118.79 1j3u h ALA 112 Ca -0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1j3u h ALA 112 Cb 0.96 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1j3u h ALA 112 CO 0.05 -0.09 -0.34 -0.91 0.00 0.00 0.00 179.25 177.96 1j3u h ASN 113 N -0.83 0.36 -0.32 0.00 2.35 -1.40 0.74 115.58 116.48 1j3u h ASN 113 Ca -0.00 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.52 1j3u h ASN 113 Cb 0.81 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 1j3u h ASN 113 CO 0.00 0.69 -0.17 -0.09 -1.65 0.00 0.00 177.43 176.21 1j3u h ARG 114 N 0.31 0.68 -0.75 0.81 9.65 -1.55 0.56 114.38 124.08 1j3u h ARG 114 Ca 0.04 -0.31 -0.00 0.00 -1.10 0.00 0.00 59.98 58.61 1j3u h ARG 114 Cb 0.75 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.28 1j3u h ARG 114 CO 0.06 0.90 0.46 0.00 2.80 0.00 0.00 179.97 184.19 1j3u h ALA 115 N 0.76 1.38 -0.16 2.80 0.00 -1.16 0.43 119.26 123.31 1j3u h ALA 115 Ca 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1j3u h ALA 115 Cb 0.71 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1j3u h ALA 115 CO 0.05 0.53 -0.11 -0.07 0.00 0.00 0.00 179.25 179.66 1j3u h LEU 116 N 1.04 0.37 -1.04 0.00 3.38 -0.39 -2.81 115.31 115.86 1j3u h LEU 116 Ca 0.27 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1j3u h LEU 116 Cb -0.05 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1j3u h LEU 116 CO -0.05 0.73 0.57 -0.08 0.09 0.00 0.00 178.44 179.71 1j3u h GLU 117 N 0.02 1.23 -0.34 1.13 4.81 0.76 -1.65 114.58 120.54 1j3u h GLU 117 Ca 0.03 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1j3u h GLU 117 Cb 0.61 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1j3u h GLU 117 CO 0.03 0.84 0.15 -0.07 -0.73 0.00 0.00 179.01 179.23 1j3u h LEU 118 N 1.25 0.41 -3.94 1.64 3.38 -0.04 -2.10 115.31 115.91 1j3u h LEU 118 Ca 0.33 -0.03 -0.60 0.00 0.09 0.00 0.00 57.88 57.67 1j3u h LEU 118 Cb -0.09 -0.10 -0.30 0.00 0.09 0.00 0.00 40.66 40.26 1j3u h LEU 118 CO -0.07 0.37 0.62 1.15 0.09 0.00 0.00 178.44 180.60 1j3u n MET 119 N -4.42 2.60 -3.19 1.13 0.00 -1.03 -4.95 117.12 107.25 1j3u n MET 119 Ca 0.02 -3.28 -0.18 0.00 0.00 0.00 0.00 57.70 54.26 1j3u n MET 119 Cb 0.12 -2.23 0.02 0.00 0.00 0.00 0.00 33.22 31.13 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 -0.98 -0.76 3.46 3.17 0.00 -0.79 -5.02 105.19 104.28 1j3u n GLY 120 Ca 0.59 0.80 -0.14 0.00 0.00 0.00 0.00 46.02 47.28 1j3u n GLY 120 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j3u n GLU 121 N 0.28 0.79 -3.45 1.61 -0.58 -0.65 -4.99 120.64 113.66 1j3u n GLU 121 Ca -0.01 -2.70 -0.38 0.00 -0.42 0.00 0.00 57.16 53.64 1j3u n GLU 121 Cb 0.50 2.72 -0.09 0.00 -0.57 0.00 0.00 31.44 34.01 1j3u n GLU 121 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1j3u s GLU 122 N -2.67 4.06 -0.67 3.49 0.41 -1.26 -4.46 118.70 117.60 1j3u s GLU 122 Ca 0.27 0.00 -0.27 0.00 -0.41 0.00 0.00 54.97 54.56 1j3u s GLU 122 Cb -0.02 -3.61 0.00 0.00 -1.78 0.00 0.00 34.13 28.73 1j3u s GLU 122 CO 0.19 -0.16 1.57 -1.59 -0.49 0.00 0.00 175.26 174.78 1j3u s LYS 123 N 1.71 2.91 0.00 1.61 -2.85 -1.26 -1.53 119.74 120.34 1j3u s LYS 123 Ca 0.14 0.19 0.00 0.00 -1.00 0.00 0.00 55.97 55.30 1j3u s LYS 123 Cb -0.15 -4.28 0.00 0.00 -2.06 0.00 0.00 37.83 31.34 1j3u s LYS 123 CO 0.09 -2.43 0.00 0.41 0.10 0.00 0.00 175.35 173.51 1j3u n GLY 124 N 5.54 0.33 3.46 0.59 0.00 -1.26 -5.03 105.19 108.81 1j3u n GLY 124 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 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 5.22 -0.67 1.61 4.05 -0.58 -4.81 115.26 120.08 1j3u n ASN 125 Ca 0.00 -2.98 0.00 0.00 0.45 0.00 0.00 54.58 52.05 1j3u n ASN 125 Cb 0.00 -1.57 0.00 0.00 1.23 0.00 0.00 39.78 39.44 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 5.67 0.00 -0.10 1.20 0.53 -1.26 -2.68 117.16 120.52 1j3u n TYR 126 Ca 0.37 -0.16 -0.11 0.00 -1.02 0.00 0.00 57.90 56.97 1j3u n TYR 126 Cb 0.43 -0.15 -0.15 0.00 -1.03 0.00 0.00 39.34 38.44 1j3u n TYR 126 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1j3u n SER 127 N 0.18 0.58 -0.06 7.72 2.88 -1.26 -3.85 113.62 119.81 1j3u n SER 127 Ca 0.00 -0.03 -0.14 0.00 -1.33 0.00 0.00 58.87 57.37 1j3u n SER 127 Cb 0.33 0.69 -0.12 0.00 -0.75 0.00 0.00 64.21 64.35 1j3u n SER 127 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1j3u h LYS 128 N 0.00 0.00 -3.37 -1.46 1.79 -1.92 -3.44 116.57 108.17 1j3u h LYS 128 Ca -0.53 -0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.42 1j3u h LYS 128 Cb 2.13 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 32.38 1j3u h LYS 128 CO 0.00 0.92 -0.76 0.42 -1.08 0.00 0.00 179.45 178.95 1j3u s ILE 129 N -2.56 0.38 -0.25 1.86 1.01 -1.23 -5.00 121.20 115.41 1j3u s ILE 129 Ca -0.18 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 1j3u s ILE 129 Cb -0.02 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 1j3u s ILE 129 CO 0.69 -0.33 0.51 -0.55 0.00 0.00 0.00 174.94 175.26 1j3u s SER 130 N 1.91 6.45 0.62 3.58 0.15 -1.25 -4.36 113.70 120.80 1j3u s SER 130 Ca 0.02 0.54 0.40 0.00 0.70 0.00 0.00 55.95 57.61 1j3u s SER 130 Cb -0.17 -2.28 1.99 0.00 -1.71 0.00 0.00 66.02 63.85 1j3u s SER 130 CO -0.13 -0.25 2.21 1.55 1.20 0.00 0.00 173.24 177.82 1j3u h PRO 131 N 7.88 0.00 0.00 5.44 0.13 -1.88 0.50 132.00 144.07 1j3u h PRO 131 Ca -0.30 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.68 1j3u h PRO 131 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1j3u h PRO 131 CO 0.72 0.00 -2.06 -1.71 -0.23 0.00 0.00 178.00 174.72 1j3u n ASN 132 N -3.09 0.50 -0.03 1.44 4.05 -1.26 -2.05 115.26 114.83 1j3u n ASN 132 Ca -0.01 0.00 0.02 0.00 0.45 0.00 0.00 54.58 55.04 1j3u n ASN 132 Cb 0.17 1.47 -0.11 0.00 1.23 0.00 0.00 39.78 42.54 1j3u n ASN 132 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1j3u n SER 133 N -2.41 1.66 -0.02 1.20 7.64 -1.02 -4.35 113.62 116.32 1j3u n SER 133 Ca -0.15 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.70 1j3u n SER 133 Cb 0.78 1.36 -0.01 0.00 -1.01 0.00 0.00 64.21 65.33 1j3u n SER 133 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1j3u n HIS 134 N -2.19 0.00 -0.25 1.43 8.25 0.17 -4.33 115.22 118.30 1j3u n HIS 134 Ca -0.10 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.32 1j3u n HIS 134 Cb 0.59 -0.16 0.07 0.00 1.12 0.00 0.00 29.99 31.60 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 -0.33 1.14 -0.82 1.59 2.07 -1.50 -2.24 116.25 116.17 1j3u h VAL 135 Ca 0.00 -0.31 -0.54 0.00 0.82 0.00 0.00 66.70 66.66 1j3u h VAL 135 Cb 0.33 0.15 -0.24 0.00 -1.52 0.00 0.00 31.29 30.01 1j3u h VAL 135 CO 0.00 0.17 0.70 -3.20 0.02 0.00 0.00 177.57 175.26 1j3u n ASN 136 N -4.62 6.83 -4.82 0.57 5.15 -0.87 -4.82 115.26 112.68 1j3u n ASN 136 Ca 0.07 -3.51 -0.35 0.00 -0.60 0.00 0.00 54.58 50.18 1j3u n ASN 136 Cb 0.05 -0.98 -0.06 0.00 -0.53 0.00 0.00 39.78 38.26 1j3u n ASN 136 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1j3u s MET 137 N -3.08 4.22 -1.62 1.20 1.75 -0.84 -3.84 119.30 117.08 1j3u s MET 137 Ca 0.52 0.87 0.00 0.00 -1.25 0.00 0.00 55.69 55.83 1j3u s MET 137 Cb 0.41 -2.74 0.00 0.00 2.84 0.00 0.00 34.83 35.34 1j3u s MET 137 CO 0.00 0.31 0.00 0.43 -0.65 0.00 0.00 175.02 175.12 1j3u n SER 138 N 0.40 -5.02 -3.70 1.11 7.64 -1.26 -4.93 113.62 107.85 1j3u n SER 138 Ca -0.00 0.17 -0.14 0.00 1.01 0.00 0.00 58.87 59.91 1j3u n SER 138 Cb 0.52 -4.29 -0.08 0.00 -1.01 0.00 0.00 64.21 59.35 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 -4.59 0.78 0.27 1.43 -2.07 -1.25 -4.70 119.66 109.53 1j3u s GLN 139 Ca 0.00 -0.10 0.11 0.00 -1.82 0.00 0.00 55.36 53.55 1j3u s GLN 139 Cb 0.00 0.35 -0.05 0.00 -1.09 0.00 0.00 33.01 32.22 1j3u s GLN 139 CO 0.00 -0.23 -0.19 0.45 -1.32 0.00 0.00 175.29 174.00 1j3u s SER 140 N -1.35 3.46 0.24 12.60 0.15 -1.26 -4.96 113.70 122.57 1j3u s SER 140 Ca -0.12 -1.03 0.17 0.00 0.70 0.00 0.00 55.95 55.66 1j3u s SER 140 Cb -0.04 -0.28 0.89 0.00 -1.71 0.00 0.00 66.02 64.89 1j3u s SER 140 CO 0.05 0.00 1.52 0.41 1.20 0.00 0.00 173.24 176.42 1j3u n THR 141 N -0.59 1.23 1.11 6.45 -1.04 -1.26 -1.67 114.28 118.51 1j3u n THR 141 Ca -0.05 0.63 0.12 0.00 -2.04 0.00 0.00 64.05 62.71 1j3u n THR 141 Cb 0.60 -1.62 0.34 0.00 -1.82 0.00 0.00 70.33 67.83 1j3u n THR 141 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1j3u n ASN 142 N -2.07 2.18 0.00 8.00 3.02 -1.26 -3.69 115.26 121.43 1j3u n ASN 142 Ca -0.01 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 52.79 1j3u n ASN 142 Cb 0.05 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1j3u n ASN 142 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1j3u n ASP 143 N 0.67 2.14 0.06 6.41 3.85 -0.67 -4.68 116.55 124.33 1j3u n ASP 143 Ca 0.17 0.00 -0.21 0.00 -0.71 0.00 0.00 54.79 54.04 1j3u n ASP 143 Cb 0.44 0.32 -0.15 0.00 -1.35 0.00 0.00 41.12 40.38 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 -0.04 0.58 2.12 0.00 -1.58 -2.92 119.26 117.43 1j3u h ALA 144 Ca 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 54.91 54.05 1j3u h ALA 144 Cb 0.21 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1j3u h ALA 144 CO 0.00 0.56 -0.28 0.35 0.00 0.00 0.00 179.25 179.88 1j3u h PHE 145 N -0.24 -0.73 -0.47 0.00 3.57 -1.78 -1.26 116.94 116.03 1j3u h PHE 145 Ca -0.21 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.29 1j3u h PHE 145 Cb 1.79 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 40.74 1j3u h PHE 145 CO 0.17 -0.43 0.28 -1.00 -2.23 0.00 0.00 178.31 175.09 1j3u h PRO 146 N -0.85 0.54 -0.40 6.41 0.13 -1.81 -1.93 132.00 134.09 1j3u h PRO 146 Ca -0.08 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.08 1j3u h PRO 146 Cb 0.63 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.58 1j3u h PRO 146 CO 0.13 0.36 0.08 1.15 -0.23 0.00 0.00 178.00 179.49 1j3u h THR 147 N 0.56 0.79 -0.73 1.56 2.02 -1.43 0.44 112.91 116.12 1j3u h THR 147 Ca 0.19 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.33 1j3u h THR 147 Cb 0.01 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 1j3u h THR 147 CO -0.08 0.04 0.48 0.00 0.37 0.00 0.00 175.52 176.32 1j3u h ALA 148 N 1.30 1.57 -0.04 6.16 0.00 -0.97 -1.05 119.26 126.24 1j3u h ALA 148 Ca 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1j3u h ALA 148 Cb 0.23 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1j3u h ALA 148 CO -0.26 0.36 -0.03 1.15 0.00 0.00 0.00 179.25 180.47 1j3u h THR 149 N 0.89 1.37 -0.68 0.00 2.02 -0.31 0.13 112.91 116.33 1j3u h THR 149 Ca 0.29 -1.14 0.12 0.00 0.77 0.00 0.00 66.41 66.44 1j3u h THR 149 Cb 0.05 2.05 -0.08 0.00 -1.74 0.00 0.00 68.15 68.42 1j3u h THR 149 CO -0.08 0.31 0.26 0.45 0.37 0.00 0.00 175.52 176.83 1j3u h HIS 150 N -0.35 0.45 -0.40 3.16 3.86 0.26 0.56 115.15 122.69 1j3u h HIS 150 Ca 0.01 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1j3u h HIS 150 Cb 0.51 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1j3u h HIS 150 CO 0.09 0.08 0.12 0.82 0.86 0.00 0.00 177.93 179.91 1j3u h ILE 151 N 0.43 1.22 0.45 2.45 2.04 -1.10 0.15 117.51 123.14 1j3u h ILE 151 Ca 0.36 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1j3u h ILE 151 Cb 0.49 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1j3u h ILE 151 CO -0.35 0.25 -0.22 0.00 0.00 0.00 0.00 178.15 177.83 1j3u h ALA 152 N 0.97 -0.60 -0.82 1.87 0.00 0.96 -1.06 119.26 120.58 1j3u h ALA 152 Ca 0.13 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1j3u h ALA 152 Cb 0.26 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1j3u h ALA 152 CO -0.00 -0.80 0.47 0.28 0.00 0.00 0.00 179.25 179.20 1j3u h VAL 153 N -0.69 0.91 -0.01 0.00 2.07 0.10 0.08 116.25 118.72 1j3u h VAL 153 Ca -0.06 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1j3u h VAL 153 Cb 0.51 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1j3u h VAL 153 CO 0.10 0.14 0.00 -0.07 0.02 0.00 0.00 177.57 177.77 1j3u h LEU 154 N 0.79 0.01 0.02 2.57 3.38 -0.77 0.36 115.31 121.67 1j3u h LEU 154 Ca 0.40 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1j3u h LEU 154 Cb 0.36 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1j3u h LEU 154 CO -0.25 0.18 -0.15 0.28 0.09 0.00 0.00 178.44 178.59 1j3u h SER 155 N -0.16 -0.42 -0.45 -0.43 0.02 -0.76 -1.97 113.55 109.38 1j3u h SER 155 Ca 0.00 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 1j3u h SER 155 Cb 0.17 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 1j3u h SER 155 CO -0.00 -0.21 0.17 -0.07 -1.14 0.00 0.00 176.83 175.58 1j3u h LEU 156 N -0.26 0.18 -0.70 5.07 3.38 -0.88 -2.65 115.31 119.45 1j3u h LEU 156 Ca 0.04 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.15 1j3u h LEU 156 Cb 0.31 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1j3u h LEU 156 CO -0.12 0.13 0.35 0.25 0.09 0.00 0.00 178.44 179.14 1j3u h LEU 157 N 0.34 0.47 -0.85 1.67 5.85 0.21 -1.93 115.31 121.07 1j3u h LEU 157 Ca 0.21 0.06 0.01 0.00 0.84 0.00 0.00 57.88 59.00 1j3u h LEU 157 Cb 0.20 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1j3u h LEU 157 CO -0.21 0.27 0.56 0.78 -0.34 0.00 0.00 178.44 179.50 1j3u h ASN 158 N 0.61 0.98 -0.83 1.25 2.35 -1.01 -1.04 115.58 117.88 1j3u h ASN 158 Ca 0.34 -0.03 0.04 0.00 -0.55 0.00 0.00 56.30 56.10 1j3u h ASN 158 Cb 0.34 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 1j3u h ASN 158 CO -0.26 0.72 0.55 1.56 -1.65 0.00 0.00 177.43 178.35 1j3u h GLN 159 N 1.15 1.00 -0.17 0.81 1.08 -1.20 -1.91 115.11 115.87 1j3u h GLN 159 Ca 0.31 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.39 1j3u h GLN 159 Cb -0.12 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.08 1j3u h GLN 159 CO -0.07 0.66 -0.11 1.25 -0.95 0.00 0.00 178.83 179.61 1j3u h LEU 160 N 1.03 0.40 -0.73 1.46 5.85 -0.91 -2.32 115.31 120.09 1j3u h LEU 160 Ca 0.33 -0.44 0.12 0.00 0.84 0.00 0.00 57.88 58.74 1j3u h LEU 160 Cb 0.04 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.88 1j3u h LEU 160 CO -0.10 0.75 0.32 0.40 -0.34 0.00 0.00 178.44 179.47 1j3u h ILE 161 N 0.05 0.73 -0.09 4.05 2.04 -0.65 0.13 117.51 123.77 1j3u h ILE 161 Ca 0.04 -0.17 -0.18 0.00 1.00 0.00 0.00 64.86 65.54 1j3u h ILE 161 Cb 0.61 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1j3u h ILE 161 CO 0.03 0.09 -0.72 -0.33 0.00 0.00 0.00 178.15 177.23 1j3u h GLU 162 N 0.50 0.44 0.00 2.37 4.39 -1.34 0.35 114.58 121.28 1j3u h GLU 162 Ca 0.39 -0.35 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1j3u h GLU 162 Cb 0.52 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1j3u h GLU 162 CO -0.35 0.98 -0.20 1.15 -1.16 0.00 0.00 179.01 179.43 1j3u h THR 163 N 0.30 0.53 0.07 1.13 2.02 -0.77 -1.97 112.91 114.21 1j3u h THR 163 Ca -0.03 -0.99 -0.32 0.00 0.77 0.00 0.00 66.41 65.84 1j3u h THR 163 Cb 1.29 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 69.35 1j3u h THR 163 CO 0.12 0.20 -1.80 0.74 0.37 0.00 0.00 175.52 175.15 1j3u h THR 164 N 0.00 0.80 -0.43 3.16 2.02 -0.56 -2.84 112.91 115.06 1j3u h THR 164 Ca -0.00 -2.57 -0.02 0.00 0.77 0.00 0.00 66.41 64.59 1j3u h THR 164 Cb 0.66 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 1j3u h THR 164 CO 0.03 0.70 0.20 0.11 0.37 0.00 0.00 175.52 176.92 1j3u h LYS 165 N 0.04 0.60 0.01 6.66 1.57 -0.73 0.56 116.57 125.28 1j3u h LYS 165 Ca -0.33 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1j3u h LYS 165 Cb 2.02 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 34.21 1j3u h LYS 165 CO 0.09 0.48 -0.00 -0.92 -0.57 0.00 0.00 179.45 178.53 1j3u h TYR 166 N 0.60 -0.01 0.15 -1.35 3.20 -1.46 -1.64 116.97 116.47 1j3u h TYR 166 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1j3u h TYR 166 Cb 0.08 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1j3u h TYR 166 CO 0.00 0.51 -0.15 1.98 -1.64 0.00 0.00 178.16 178.87 1j3u h MET 167 N -0.53 -0.32 -0.99 1.82 4.05 -1.21 -0.80 114.93 116.95 1j3u h MET 167 Ca -0.00 0.02 0.15 0.00 -0.28 0.00 0.00 59.70 59.59 1j3u h MET 167 Cb 0.52 0.07 -0.09 0.00 -0.80 0.00 0.00 31.60 31.30 1j3u h MET 167 CO 0.00 -0.21 0.62 0.37 0.23 0.00 0.00 176.91 177.92 1j3u h GLN 168 N -0.33 0.84 -0.23 0.39 -0.00 0.09 -0.11 115.11 115.76 1j3u h GLN 168 Ca 0.00 -0.05 -0.16 0.00 -0.00 0.00 0.00 58.65 58.44 1j3u h GLN 168 Cb 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 27.48 27.60 1j3u h GLN 168 CO -0.04 0.55 -0.52 1.96 0.00 0.00 0.00 178.83 180.78 1j3u h GLN 169 N 0.86 0.67 0.00 1.69 1.08 -0.81 -2.50 115.11 116.10 1j3u h GLN 169 Ca 0.53 -0.41 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1j3u h GLN 169 Cb 0.70 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1j3u h GLN 169 CO -0.31 1.02 -0.11 1.49 -0.95 0.00 0.00 178.83 179.98 1j3u h GLU 170 N 0.52 0.00 0.00 1.46 4.57 0.23 -0.80 114.58 120.56 1j3u h GLU 170 Ca 0.02 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 1j3u h GLU 170 Cb 1.08 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 1j3u h GLU 170 CO 0.11 0.11 -0.59 0.74 -1.18 0.00 0.00 179.01 178.19 1j3u h PHE 171 N 0.00 0.00 0.13 0.92 0.04 -0.64 -3.08 116.94 114.32 1j3u h PHE 171 Ca -0.00 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.47 1j3u h PHE 171 Cb 0.46 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.64 1j3u h PHE 171 CO 0.00 0.59 -1.24 0.52 -0.60 0.00 0.00 178.31 177.59 1j3u h MET 172 N 0.00 0.61 -0.50 1.51 2.86 -0.90 -2.61 114.93 115.90 1j3u h MET 172 Ca -0.01 -0.83 0.10 0.00 -2.06 0.00 0.00 59.70 56.90 1j3u h MET 172 Cb 1.19 0.28 -0.03 0.00 0.06 0.00 0.00 31.60 33.10 1j3u h MET 172 CO 0.08 1.38 0.34 0.87 1.06 0.00 0.00 176.91 180.64 1j3u h LYS 173 N 0.23 0.24 0.01 1.72 1.57 -1.36 0.33 116.57 119.32 1j3u h LYS 173 Ca -0.19 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.37 1j3u h LYS 173 Cb 1.91 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 34.15 1j3u h LYS 173 CO 0.24 0.16 -0.97 0.87 -0.57 0.00 0.00 179.45 179.18 1j3u h LYS 174 N 0.25 0.05 -0.47 3.15 1.79 -1.54 0.15 116.57 119.95 1j3u h LYS 174 Ca 0.23 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1j3u h LYS 174 Cb 0.58 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 1j3u h LYS 174 CO -0.05 0.98 0.17 0.00 -1.08 0.00 0.00 179.45 179.47 1j3u h ALA 175 N 0.99 0.61 0.04 3.86 0.00 -0.03 0.33 119.26 125.07 1j3u h ALA 175 Ca -0.03 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.46 1j3u h ALA 175 Cb 1.69 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 19.32 1j3u h ALA 175 CO 0.13 0.24 -1.05 -0.44 0.00 0.00 0.00 179.25 178.13 1j3u h ASP 176 N 0.62 0.84 -0.93 0.00 3.32 -1.09 0.69 116.42 119.87 1j3u h ASP 176 Ca 0.15 -0.78 0.16 0.00 0.02 0.00 0.00 57.03 56.59 1j3u h ASP 176 Cb 0.23 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.44 1j3u h ASP 176 CO -0.01 1.52 0.59 -0.08 -1.72 0.00 0.00 179.24 179.54 1j3u h GLU 177 N 0.27 0.65 -0.48 3.56 4.81 -0.47 0.56 114.58 123.49 1j3u h GLU 177 Ca -0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1j3u h GLU 177 Cb 1.72 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.95 1j3u h GLU 177 CO 0.20 0.43 0.00 1.19 -0.73 0.00 0.00 179.01 180.11 1j3u n PHE 178 N -4.60 1.20 0.25 0.92 3.72 0.09 -4.60 117.46 114.44 1j3u n PHE 178 Ca 0.19 -0.67 0.16 0.00 -0.05 0.00 0.00 57.45 57.08 1j3u n PHE 178 Cb 0.53 -0.25 0.85 0.00 -0.94 0.00 0.00 39.48 39.67 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 3.05 1.06 0.00 4.37 0.00 0.15 -1.37 119.26 126.52 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 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1j3u h ALA 179 CO 0.21 -0.06 -1.29 0.41 0.00 0.00 0.00 179.25 178.52 1j3u n GLY 180 N -1.20 -0.55 3.63 0.00 0.00 -1.26 -4.79 105.19 101.02 1j3u n GLY 180 Ca -0.02 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.77 3.26 0.09 1.61 1.01 -0.57 -4.96 120.40 118.07 1j3u s VAL 181 Ca -0.01 0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 1j3u s VAL 181 Cb 0.10 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1j3u s VAL 181 CO 0.60 -0.10 0.36 -0.51 0.00 0.00 0.00 175.10 175.45 1j3u s ILE 182 N 5.82 5.17 0.13 2.22 1.10 -1.26 -0.74 121.20 133.65 1j3u s ILE 182 Ca 0.86 0.21 -0.04 0.00 -0.51 0.00 0.00 60.65 61.17 1j3u s ILE 182 Cb -0.34 -3.62 0.02 0.00 0.15 0.00 0.00 42.46 38.67 1j3u s ILE 182 CO 0.35 0.20 0.25 2.29 -2.11 0.00 0.00 174.94 175.92 1j3u n LYS 183 N 0.61 0.36 -3.71 3.50 2.85 -0.17 -4.11 118.16 117.48 1j3u n LYS 183 Ca -0.06 -0.81 -0.37 0.00 -1.05 0.00 0.00 58.31 56.02 1j3u n LYS 183 Cb 0.52 0.95 -0.11 0.00 -0.65 0.00 0.00 35.03 35.75 1j3u n LYS 183 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1j3u s MET 184 N -2.09 3.94 0.23 -1.58 -1.94 -1.26 -1.11 119.30 115.50 1j3u s MET 184 Ca 0.06 -0.33 -0.29 0.00 -1.71 0.00 0.00 55.69 53.42 1j3u s MET 184 Cb -0.01 -3.48 -0.09 0.00 2.01 0.00 0.00 34.83 33.26 1j3u s MET 184 CO 0.05 -0.02 0.92 0.20 -0.01 0.00 0.00 175.02 176.16 1j3u s GLY 185 N 1.25 3.09 -0.10 -0.03 0.00 -0.38 -4.82 107.32 106.32 1j3u s GLY 185 Ca 0.06 0.59 0.03 0.00 0.00 0.00 0.00 44.72 45.40 1j3u s GLY 185 CO 0.05 1.15 -0.21 0.50 0.00 0.00 0.00 173.10 174.59 1j3u s ARG 186 N -1.17 2.75 -0.13 2.90 0.52 -1.26 -1.15 118.95 121.40 1j3u s ARG 186 Ca 0.40 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.86 1j3u s ARG 186 Cb -0.26 -2.14 0.01 0.00 0.52 0.00 0.00 34.95 33.09 1j3u s ARG 186 CO 0.31 0.11 -0.18 0.95 0.02 0.00 0.00 175.30 176.51 1j3u s THR 187 N 0.51 1.78 0.00 0.02 -4.23 -0.68 -4.45 115.64 108.60 1j3u s THR 187 Ca -0.16 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1j3u s THR 187 Cb -0.17 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 72.06 1j3u s THR 187 CO 0.06 0.50 0.00 1.41 -0.54 0.00 0.00 174.62 176.04 1j3u n HIS 188 N 4.29 0.00 -0.94 3.99 8.25 -1.26 -2.04 115.22 127.50 1j3u n HIS 188 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1j3u n HIS 188 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 0.00 0.15 -4.84 2.41 4.77 -1.26 -4.99 117.00 113.23 1j3u n LEU 189 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1j3u n LEU 189 Cb 0.00 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 1j3u n LEU 189 CO 0.00 -0.09 0.03 -1.58 -1.33 0.00 0.00 177.39 174.42 1j3u s GLN 190 N -0.18 3.80 0.25 3.23 2.00 -0.87 -5.01 119.66 122.89 1j3u s GLN 190 Ca 0.00 0.25 -0.31 0.00 -2.00 0.00 0.00 55.36 53.31 1j3u s GLN 190 Cb 0.00 -3.22 -0.14 0.00 0.80 0.00 0.00 33.01 30.45 1j3u s GLN 190 CO 0.00 0.69 1.32 -0.25 -0.50 0.00 0.00 175.29 176.55 1j3u n ASP 191 N 1.95 2.42 0.00 6.67 10.43 -1.26 -1.68 116.55 135.08 1j3u n ASP 191 Ca -0.15 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.36 1j3u n ASP 191 Cb 0.53 -1.39 0.00 0.00 1.84 0.00 0.00 41.12 42.10 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 1.49 0.00 -2.32 2.24 0.00 -0.30 -4.82 120.51 116.80 1j3u n ALA 192 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.35 1j3u n ALA 192 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.74 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 4.00 3.19 0.73 0.00 -7.23 -1.26 -3.91 120.40 115.92 1j3u s VAL 193 Ca 0.00 -1.27 -0.16 0.00 -1.81 0.00 0.00 61.98 58.75 1j3u s VAL 193 Cb 0.00 -3.11 0.04 0.00 0.56 0.00 0.00 36.38 33.86 1j3u s VAL 193 CO 0.00 -0.08 1.24 -2.84 -0.31 0.00 0.00 175.10 173.11 1j3u s PRO 194 N -4.11 2.09 0.01 4.82 0.02 -1.26 -1.25 135.00 135.32 1j3u s PRO 194 Ca 0.46 1.89 -0.24 0.00 0.02 0.00 0.00 61.00 63.13 1j3u s PRO 194 Cb -0.06 -1.81 0.06 0.00 0.02 0.00 0.00 34.50 32.70 1j3u s PRO 194 CO 0.28 -1.90 0.55 -1.50 -0.33 0.00 0.00 177.00 174.10 1j3u s ILE 195 N -1.80 0.02 0.05 2.83 2.07 -0.26 -4.64 121.20 119.47 1j3u s ILE 195 Ca 0.77 -0.18 -0.21 0.00 -1.41 0.00 0.00 60.65 59.62 1j3u s ILE 195 Cb -0.33 -0.94 -0.06 0.00 0.13 0.00 0.00 42.46 41.27 1j3u s ILE 195 CO 0.45 -0.10 0.63 -0.76 -1.91 0.00 0.00 174.94 173.25 1j3u s LEU 196 N -1.65 4.48 0.28 8.50 2.01 -1.26 -1.00 118.68 130.04 1j3u s LEU 196 Ca -0.08 1.28 0.01 0.00 0.01 0.00 0.00 54.13 55.35 1j3u s LEU 196 Cb -0.01 -2.99 0.54 0.00 0.01 0.00 0.00 46.19 43.73 1j3u s LEU 196 CO 0.03 0.16 1.84 0.25 1.01 0.00 0.00 176.35 179.64 1j3u h LEU 197 N 5.13 0.94 -2.10 1.79 6.46 -1.10 0.57 115.31 126.99 1j3u h LEU 197 Ca -0.47 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.33 1j3u h LEU 197 Cb 1.21 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.99 1j3u h LEU 197 CO 0.67 0.51 -0.05 1.23 -0.62 0.00 0.00 178.44 180.18 1j3u h GLY 198 N 1.01 0.00 1.67 3.75 0.00 -1.59 -0.20 103.07 107.71 1j3u h GLY 198 Ca 0.49 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.65 1j3u h GLY 198 CO -0.26 0.00 -0.71 1.46 0.00 0.00 0.00 176.54 177.03 1j3u h GLN 199 N 0.00 0.33 -0.07 4.80 4.20 -1.17 -0.37 115.11 122.82 1j3u h GLN 199 Ca -0.00 -0.27 -0.09 0.00 0.06 0.00 0.00 58.65 58.36 1j3u h GLN 199 Cb 0.11 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1j3u h GLN 199 CO 0.01 0.91 -0.30 0.93 -0.67 0.00 0.00 178.83 179.71 1j3u h GLU 200 N 0.22 0.33 0.00 1.46 5.08 -1.05 -1.62 114.58 119.01 1j3u h GLU 200 Ca -0.02 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1j3u h GLU 200 Cb 1.27 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1j3u h GLU 200 CO 0.12 0.90 -0.19 0.74 -1.00 0.00 0.00 179.01 179.57 1j3u h PHE 201 N -0.16 0.00 0.09 4.33 0.04 -1.04 -0.63 116.94 119.57 1j3u h PHE 201 Ca -0.02 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.47 1j3u h PHE 201 Cb 0.94 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.12 1j3u h PHE 201 CO 0.13 0.19 -1.19 1.49 -0.60 0.00 0.00 178.31 178.33 1j3u h GLU 202 N 0.00 0.57 -0.97 1.51 4.81 -1.04 -2.40 114.58 117.06 1j3u h GLU 202 Ca -0.00 -0.74 0.16 0.00 -0.13 0.00 0.00 59.36 58.65 1j3u h GLU 202 Cb 0.43 0.24 -0.09 0.00 0.63 0.00 0.00 28.75 29.96 1j3u h GLU 202 CO 0.02 1.32 0.61 0.00 -0.73 0.00 0.00 179.01 180.24 1j3u h ALA 203 N 0.39 1.72 -0.17 2.92 0.00 -0.24 0.25 119.26 124.13 1j3u h ALA 203 Ca -0.16 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1j3u h ALA 203 Cb 1.86 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1j3u h ALA 203 CO 0.22 -0.02 -0.06 1.88 0.00 0.00 0.00 179.25 181.27 1j3u h TYR 204 N 0.78 0.39 -0.83 0.00 0.05 -1.00 -2.86 116.97 113.50 1j3u h TYR 204 Ca 0.52 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 59.21 1j3u h TYR 204 Cb 0.78 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 38.38 1j3u h TYR 204 CO -0.00 0.64 0.54 0.00 -1.05 0.00 0.00 178.16 178.28 1j3u h ALA 205 N 0.70 1.39 -0.43 3.88 0.00 -0.51 -1.96 119.26 122.34 1j3u h ALA 205 Ca 0.04 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1j3u h ALA 205 Cb 0.52 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1j3u h ALA 205 CO 0.02 0.56 -0.15 0.00 0.00 0.00 0.00 179.25 179.68 1j3u h ARG 206 N 1.13 0.79 -0.19 0.00 3.08 -0.52 -0.15 114.38 118.53 1j3u h ARG 206 Ca 0.30 -0.28 -0.20 0.00 0.07 0.00 0.00 59.98 59.87 1j3u h ARG 206 Cb -0.11 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1j3u h ARG 206 CO -0.06 0.90 -0.67 -0.24 -1.07 0.00 0.00 179.97 178.82 1j3u h VAL 207 N 0.71 1.29 -0.41 2.04 3.04 -1.29 -2.14 116.25 119.49 1j3u h VAL 207 Ca 0.11 -1.90 -0.01 0.00 -1.01 0.00 0.00 66.70 63.89 1j3u h VAL 207 Cb 0.65 1.86 -0.02 0.00 -2.01 0.00 0.00 31.29 31.76 1j3u h VAL 207 CO 0.05 0.60 0.20 0.40 -1.01 0.00 0.00 177.57 177.81 1j3u h ILE 208 N 0.53 1.17 -0.76 3.17 2.04 -1.18 0.11 117.51 122.60 1j3u h ILE 208 Ca -0.02 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.37 1j3u h ILE 208 Cb 1.28 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1j3u h ILE 208 CO 0.14 0.18 0.50 0.00 0.00 0.00 0.00 178.15 178.98 1j3u h ALA 209 N 1.05 0.96 -0.06 1.87 0.00 -0.98 0.15 119.26 122.26 1j3u h ALA 209 Ca 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1j3u h ALA 209 Cb 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1j3u h ALA 209 CO -0.02 0.38 -0.07 -0.09 0.00 0.00 0.00 179.25 179.45 1j3u h ARG 210 N 1.03 0.08 -0.32 0.00 2.43 -0.86 -1.03 114.38 115.71 1j3u h ARG 210 Ca 0.28 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.28 1j3u h ARG 210 Cb -0.12 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1j3u h ARG 210 CO -0.06 0.16 -0.44 -0.44 -1.51 0.00 0.00 179.97 177.69 1j3u h ASP 211 N 0.08 0.89 -0.26 -3.80 3.32 0.18 -2.69 116.42 114.14 1j3u h ASP 211 Ca 0.02 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 1j3u h ASP 211 Cb 0.18 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1j3u h ASP 211 CO 0.01 1.20 0.10 0.40 -1.72 0.00 0.00 179.24 179.22 1j3u h ILE 212 N 0.66 1.18 -0.17 0.35 2.04 0.27 -0.86 117.51 120.98 1j3u h ILE 212 Ca 0.04 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.35 1j3u h ILE 212 Cb 1.01 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1j3u h ILE 212 CO 0.10 0.19 0.07 -0.08 0.00 0.00 0.00 178.15 178.43 1j3u h GLU 213 N 0.27 0.15 -0.57 2.37 4.81 -1.32 0.19 114.58 120.48 1j3u h GLU 213 Ca 0.09 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1j3u h GLU 213 Cb 0.20 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1j3u h GLU 213 CO -0.01 0.10 0.33 0.00 -0.73 0.00 0.00 179.01 178.71 1j3u h ARG 214 N 0.16 0.79 -0.24 1.92 3.08 -1.37 -0.30 114.38 118.42 1j3u h ARG 214 Ca 0.07 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1j3u h ARG 214 Cb 0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1j3u h ARG 214 CO -0.07 0.59 -0.03 0.82 -1.07 0.00 0.00 179.97 180.21 1j3u h ILE 215 N 0.77 1.27 -0.52 2.04 2.04 -0.97 -2.96 117.51 119.18 1j3u h ILE 215 Ca 0.20 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 65.12 1j3u h ILE 215 Cb 0.01 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1j3u h ILE 215 CO -0.04 0.30 0.29 0.00 0.00 0.00 0.00 178.15 178.71 1j3u h ALA 216 N 0.78 0.67 0.00 1.87 0.00 -0.44 -2.41 119.26 119.73 1j3u h ALA 216 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j3u h ALA 216 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1j3u h ALA 216 CO 0.02 -0.03 0.00 -0.91 0.00 0.00 0.00 179.25 178.32 1j3u h ASN 217 N 0.56 0.00 0.74 0.00 -0.26 -0.98 -2.61 115.58 113.04 1j3u h ASN 217 Ca 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 1j3u h ASN 217 Cb 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1j3u h ASN 217 CO -0.13 0.00 0.00 0.35 -1.06 0.00 0.00 177.43 176.59 1j3u n THR 218 N -2.83 0.72 0.18 2.81 -2.24 -0.90 -2.96 114.28 109.06 1j3u n THR 218 Ca -0.01 0.14 0.03 0.00 -2.27 0.00 0.00 64.05 61.95 1j3u n THR 218 Cb 0.18 -0.89 0.34 0.00 -2.10 0.00 0.00 70.33 67.86 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 0.00 0.00 0.28 -0.78 3.08 -1.60 -3.34 114.38 112.02 1j3u h ARG 219 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j3u h ARG 219 Cb 0.37 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1j3u h ARG 219 CO 0.00 0.41 -0.45 -0.97 -1.07 0.00 0.00 179.97 177.89 1j3u h ASN 220 N 0.00 -1.28 0.11 7.04 -1.24 -1.76 -0.94 115.58 117.52 1j3u h ASN 220 Ca -0.00 0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.13 1j3u h ASN 220 Cb 0.76 0.45 0.00 0.00 0.73 0.00 0.00 38.32 40.26 1j3u h ASN 220 CO 0.05 -0.56 0.00 0.59 -1.29 0.00 0.00 177.43 176.23 1j3u n ASN 221 N -5.50 0.00 0.07 1.15 3.02 -1.25 -1.25 115.26 111.50 1j3u n ASN 221 Ca -0.09 -0.16 0.11 0.00 -0.03 0.00 0.00 54.58 54.41 1j3u n ASN 221 Cb 0.41 -0.14 -0.04 0.00 -0.61 0.00 0.00 39.78 39.41 1j3u n ASN 221 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1j3u n LEU 222 N -1.14 0.63 0.26 3.41 7.94 -0.41 -4.13 117.00 123.58 1j3u n LEU 222 Ca 0.08 0.23 0.15 0.00 -1.11 0.00 0.00 56.01 55.36 1j3u n LEU 222 Cb 0.07 -0.05 0.61 0.00 0.53 0.00 0.00 43.42 44.58 1j3u n LEU 222 CO 0.08 -0.13 0.94 1.88 -1.11 0.00 0.00 177.39 179.05 1j3u h TYR 223 N 0.00 0.00 -3.22 1.96 0.99 -0.63 -3.43 116.97 112.64 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 0.98 0.00 -0.08 0.00 1.00 0.00 0.00 36.73 38.63 1j3u h TYR 223 CO 0.00 0.05 0.60 -0.51 -0.00 0.00 0.00 178.16 178.30 1j3u s ASP 224 N -5.84 6.92 0.32 3.88 1.01 -1.26 -0.19 116.67 121.51 1j3u s ASP 224 Ca 0.01 1.14 0.08 0.00 0.71 0.00 0.00 52.55 54.49 1j3u s ASP 224 Cb 0.09 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 1j3u s ASP 224 CO 0.57 -0.59 0.21 0.27 0.21 0.00 0.00 175.17 175.84 1j3u s ILE 225 N 3.01 3.46 -0.21 0.77 -4.36 0.31 -4.82 121.20 119.36 1j3u s ILE 225 Ca 0.38 -1.53 0.13 0.00 -0.26 0.00 0.00 60.65 59.37 1j3u s ILE 225 Cb -0.15 -3.12 0.41 0.00 1.25 0.00 0.00 42.46 40.86 1j3u s ILE 225 CO 0.07 -0.21 1.26 -0.46 0.24 0.00 0.00 174.94 175.84 1j3u n ASN 226 N -1.24 2.14 -4.72 4.36 6.94 -1.26 -1.47 115.26 120.02 1j3u n ASN 226 Ca -0.03 -3.64 -0.42 0.00 -0.02 0.00 0.00 54.58 50.47 1j3u n ASN 226 Cb 0.60 -0.53 -0.03 0.00 -2.36 0.00 0.00 39.78 37.46 1j3u n ASN 226 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 1j3u s MET 227 N -3.13 4.14 0.00 -3.83 1.75 -1.26 -1.27 119.30 115.70 1j3u s MET 227 Ca 0.38 2.56 0.00 0.00 -1.25 0.00 0.00 55.69 57.38 1j3u s MET 227 Cb 0.35 -3.13 0.00 0.00 2.84 0.00 0.00 34.83 34.90 1j3u s MET 227 CO -0.02 -0.73 0.00 0.41 -0.65 0.00 0.00 175.02 174.02 1j3u n GLY 228 N 3.96 2.48 3.75 2.11 0.00 -1.26 -4.89 105.19 111.33 1j3u n GLY 228 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1j3u n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3u s ALA 229 N -2.35 3.42 0.00 4.61 0.00 -0.40 -4.33 121.76 122.72 1j3u s ALA 229 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1j3u s ALA 229 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1j3u s ALA 229 CO 0.00 -0.26 0.00 0.25 0.00 0.00 0.00 175.76 175.75 1j3u n THR 230 N 1.48 0.00 -0.06 0.00 -2.24 -1.26 -4.60 114.28 107.60 1j3u n THR 230 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1j3u n THR 230 Cb 0.44 -0.02 -0.02 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 h ALA 231 N -2.00 0.01 0.00 6.98 0.00 -1.94 -3.39 119.26 118.92 1j3u h ALA 231 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1j3u h ALA 231 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1j3u h ALA 231 CO 0.00 0.23 -0.29 0.28 0.00 0.00 0.00 179.25 179.47 1j3u n VAL 232 N -4.69 0.46 0.00 0.00 0.31 -1.26 -4.81 118.33 108.34 1j3u n VAL 232 Ca -0.05 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1j3u n VAL 232 Cb 0.17 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 1j3u n VAL 232 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j3u n GLY 233 N 1.33 1.05 0.32 2.92 0.00 -1.26 -4.63 105.19 104.93 1j3u n GLY 233 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1j3u n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j3u n THR 234 N -1.83 0.00 -1.84 2.61 -2.24 -1.26 -2.87 114.28 106.85 1j3u n THR 234 Ca 0.00 -0.17 -0.18 0.00 -2.27 0.00 0.00 64.05 61.43 1j3u n THR 234 Cb 0.00 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 68.65 1j3u n THR 234 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3u n GLY 235 N 1.31 0.96 3.68 3.38 0.00 -1.26 -4.86 105.19 108.40 1j3u n GLY 235 Ca 0.14 -0.13 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.28 2.98 -0.21 0.99 7.94 -1.26 -0.37 117.00 124.79 1j3u n LEU 236 Ca -0.20 0.97 -0.03 0.00 -1.11 0.00 0.00 56.01 55.64 1j3u n LEU 236 Cb 0.62 -1.28 -0.01 0.00 0.53 0.00 0.00 43.42 43.28 1j3u n LEU 236 CO 0.27 -0.24 -0.03 0.59 -1.11 0.00 0.00 177.39 176.88 1j3u n ASN 237 N 6.46 -4.52 -4.75 1.96 3.02 -1.26 -4.86 115.26 111.31 1j3u n ASN 237 Ca 0.25 0.07 -0.39 0.00 -0.03 0.00 0.00 54.58 54.48 1j3u n ASN 237 Cb 0.23 -2.26 -0.05 0.00 -0.61 0.00 0.00 39.78 37.09 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 -1.70 3.44 -0.38 5.41 0.00 0.50 -5.03 121.76 124.00 1j3u s ALA 238 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 1j3u s ALA 238 Cb 0.00 -2.83 0.02 0.00 0.00 0.00 0.00 23.12 20.31 1j3u s ALA 238 CO 0.00 0.11 1.08 0.34 0.00 0.00 0.00 175.76 177.28 1j3u s ASP 239 N -0.03 6.80 0.58 0.00 3.68 -1.26 -4.90 116.67 121.54 1j3u s ASP 239 Ca 0.34 0.80 0.29 0.00 2.13 0.00 0.00 52.55 56.11 1j3u s ASP 239 Cb -0.19 -2.53 1.46 0.00 -1.45 0.00 0.00 42.92 40.21 1j3u s ASP 239 CO 0.19 -1.00 1.88 -0.65 0.13 0.00 0.00 175.17 175.72 1j3u h PRO 240 N 8.50 0.00 0.00 4.34 0.11 -1.95 0.46 132.00 143.46 1j3u h PRO 240 Ca -0.22 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.72 1j3u h PRO 240 Cb 1.06 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1j3u h PRO 240 CO 1.06 0.00 -0.83 1.49 -0.21 0.00 0.00 178.00 179.50 1j3u h GLU 241 N 0.00 0.00 0.04 1.05 4.81 -2.00 -2.76 114.58 115.72 1j3u h GLU 241 Ca 0.24 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1j3u h GLU 241 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1j3u h GLU 241 CO -0.00 0.83 -0.02 -0.92 -0.73 0.00 0.00 179.01 178.17 1j3u h TYR 242 N 0.00 -0.04 -0.21 0.92 3.20 -0.46 -2.38 116.97 117.99 1j3u h TYR 242 Ca -0.01 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.92 1j3u h TYR 242 Cb 1.59 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.81 1j3u h TYR 242 CO 0.00 0.25 -0.25 0.82 -1.64 0.00 0.00 178.16 177.34 1j3u h ILE 243 N -0.34 0.39 -0.84 1.81 2.04 -1.44 0.25 117.51 119.37 1j3u h ILE 243 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1j3u h ILE 243 Cb 0.32 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1j3u h ILE 243 CO 0.01 0.00 0.56 0.77 0.00 0.00 0.00 178.15 179.48 1j3u h SER 244 N -0.27 0.97 -0.19 1.72 4.64 -1.51 -1.61 113.55 117.30 1j3u h SER 244 Ca 0.12 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 1j3u h SER 244 Cb 0.46 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1j3u h SER 244 CO -0.36 0.70 -0.52 0.40 -0.87 0.00 0.00 176.83 176.18 1j3u h ILE 245 N 1.14 1.31 -0.37 0.95 2.04 -0.94 -3.09 117.51 118.56 1j3u h ILE 245 Ca 0.31 -1.75 -0.16 0.00 1.00 0.00 0.00 64.86 64.26 1j3u h ILE 245 Cb -0.13 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1j3u h ILE 245 CO -0.07 0.55 -0.39 1.62 0.00 0.00 0.00 178.15 179.86 1j3u h VAL 246 N 0.38 1.27 -0.36 1.67 3.04 -0.45 -2.57 116.25 119.23 1j3u h VAL 246 Ca -0.01 -1.57 0.05 0.00 -1.01 0.00 0.00 66.70 64.16 1j3u h VAL 246 Cb 1.14 1.40 -0.04 0.00 -2.01 0.00 0.00 31.29 31.78 1j3u h VAL 246 CO 0.11 0.52 0.10 0.74 -1.01 0.00 0.00 177.57 178.04 1j3u h THR 247 N 0.73 0.86 -0.50 3.17 2.02 -1.37 -1.25 112.91 116.57 1j3u h THR 247 Ca 0.06 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 1j3u h THR 247 Cb 0.98 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1j3u h THR 247 CO 0.09 0.04 0.08 -0.08 0.37 0.00 0.00 175.52 176.03 1j3u h GLU 248 N 0.24 0.78 -0.52 6.66 4.81 -1.47 -1.90 114.58 123.18 1j3u h GLU 248 Ca 0.17 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1j3u h GLU 248 Cb 0.17 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1j3u h GLU 248 CO -0.19 0.74 0.18 0.45 -0.73 0.00 0.00 179.01 179.45 1j3u h HIS 249 N 0.75 0.82 -0.20 0.92 3.86 -0.97 -1.98 115.15 118.34 1j3u h HIS 249 Ca 0.16 -0.08 0.02 0.00 -1.16 0.00 0.00 60.37 59.31 1j3u h HIS 249 Cb 0.34 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1j3u h HIS 249 CO 0.02 0.70 0.07 -0.07 0.86 0.00 0.00 177.93 179.50 1j3u h LEU 250 N 0.71 0.08 -0.12 2.43 3.38 -0.91 -1.10 115.31 119.78 1j3u h LEU 250 Ca 0.17 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1j3u h LEU 250 Cb 0.25 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1j3u h LEU 250 CO -0.01 0.07 -0.12 0.00 0.09 0.00 0.00 178.44 178.47 1j3u h ALA 251 N 1.12 -0.04 -0.37 1.53 0.00 -1.08 0.24 119.26 120.66 1j3u h ALA 251 Ca 0.09 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1j3u h ALA 251 Cb 0.06 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1j3u h ALA 251 CO -0.09 -0.58 -0.08 0.87 0.00 0.00 0.00 179.25 179.37 1j3u h LYS 252 N -0.15 0.72 0.00 0.00 1.79 -1.23 -0.48 116.57 117.21 1j3u h LYS 252 Ca 0.09 -0.27 -0.02 0.00 -2.18 0.00 0.00 60.65 58.27 1j3u h LYS 252 Cb 0.28 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1j3u h LYS 252 CO -0.21 0.86 -0.08 0.74 -1.08 0.00 0.00 179.45 179.68 1j3u h PHE 253 N 0.52 0.00 -0.01 -1.35 0.05 -1.07 -3.08 116.94 112.00 1j3u h PHE 253 Ca 0.10 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.89 1j3u h PHE 253 Cb 0.59 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.54 1j3u h PHE 253 CO 0.05 0.08 -0.74 -1.13 -0.18 0.00 0.00 178.31 176.39 1j3u n SER 254 N -3.17 1.45 -0.86 2.17 3.41 0.84 -4.96 113.62 112.49 1j3u n SER 254 Ca 0.01 -1.23 -0.11 0.00 -0.26 0.00 0.00 58.87 57.29 1j3u n SER 254 Cb 0.42 0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 65.08 1j3u n SER 254 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j3u n GLY 255 N 1.45 1.19 3.60 5.00 0.00 -0.22 -4.98 105.19 111.23 1j3u n GLY 255 Ca 0.06 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.24 2.82 0.00 1.61 3.76 -1.01 -5.00 115.29 115.23 1j3u s HIS 256 Ca 0.00 -0.11 -0.04 0.00 -0.15 0.00 0.00 55.06 54.77 1j3u s HIS 256 Cb 0.00 -1.50 -0.16 0.00 1.11 0.00 0.00 32.58 32.03 1j3u s HIS 256 CO 0.00 0.42 2.79 -2.30 -0.85 0.00 0.00 174.74 174.80 1j3u n PRO 257 N 0.91 1.49 -1.31 8.40 -0.02 -1.26 -4.50 135.00 138.70 1j3u n PRO 257 Ca -0.13 -0.59 -0.38 0.00 -2.02 0.00 0.00 63.50 60.38 1j3u n PRO 257 Cb 0.52 -1.65 0.04 0.00 -0.02 0.00 0.00 33.50 32.39 1j3u n PRO 257 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1j3u n LEU 258 N 2.22 -1.06 -4.07 2.45 4.77 -1.26 -4.93 117.00 115.11 1j3u n LEU 258 Ca 0.26 0.63 -0.07 0.00 -0.03 0.00 0.00 56.01 56.80 1j3u n LEU 258 Cb 0.70 -1.05 -0.10 0.00 -2.33 0.00 0.00 43.42 40.63 1j3u n LEU 258 CO 0.09 -3.82 -0.34 -0.13 -1.33 0.00 0.00 177.39 171.86 1j3u s ARG 259 N -1.92 0.63 -0.27 3.23 0.52 0.73 -4.91 118.95 116.96 1j3u s ARG 259 Ca 0.62 -1.20 -0.13 0.00 -0.52 0.00 0.00 55.73 54.50 1j3u s ARG 259 Cb -0.42 0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.23 1j3u s ARG 259 CO 0.61 -0.12 0.30 0.45 0.02 0.00 0.00 175.30 176.56 1j3u s SER 260 N -2.91 6.18 0.38 0.23 0.15 -1.26 -0.53 113.70 115.93 1j3u s SER 260 Ca 0.07 0.19 -0.24 0.00 0.70 0.00 0.00 55.95 56.67 1j3u s SER 260 Cb 0.08 -2.18 -0.13 0.00 -1.71 0.00 0.00 66.02 62.08 1j3u s SER 260 CO -0.10 -0.12 0.72 0.00 1.20 0.00 0.00 173.24 174.93 1j3u n ALA 261 N 5.13 -1.06 0.17 5.45 0.00 -0.54 -4.87 120.51 124.79 1j3u n ALA 261 Ca -0.11 0.24 0.04 0.00 0.00 0.00 0.00 53.44 53.61 1j3u n ALA 261 Cb 0.51 -1.86 0.22 0.00 0.00 0.00 0.00 19.45 18.32 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 1.15 0.00 -4.00 0.00 4.20 -1.96 -3.40 115.11 111.10 1j3u h GLN 262 Ca -0.40 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.76 1j3u h GLN 262 Cb 1.38 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.77 1j3u h GLN 262 CO 0.54 0.46 -0.78 -1.58 -0.67 0.00 0.00 178.83 176.80 1j3u s HIS 263 N -3.39 1.64 0.15 2.96 2.46 -1.26 -5.03 115.29 112.82 1j3u s HIS 263 Ca 0.01 -1.16 0.01 0.00 0.47 0.00 0.00 55.06 54.39 1j3u s HIS 263 Cb 0.10 -1.27 -0.04 0.00 -0.13 0.00 0.00 32.58 31.24 1j3u s HIS 263 CO 0.71 -0.65 1.35 -0.07 -2.47 0.00 0.00 174.74 173.62 1j3u h LEU 264 N 8.12 0.33 -0.89 8.88 4.07 -1.79 -2.18 115.31 131.85 1j3u h LEU 264 Ca -0.20 -0.27 -0.07 0.00 0.08 0.00 0.00 57.88 57.43 1j3u h LEU 264 Cb 1.10 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 1j3u h LEU 264 CO 0.38 1.07 0.09 0.58 -1.08 0.00 0.00 178.44 179.48 1j3u h VAL 265 N 0.14 1.24 0.19 1.22 2.07 -1.78 -0.92 116.25 118.41 1j3u h VAL 265 Ca -0.05 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1j3u h VAL 265 Cb 1.53 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1j3u h VAL 265 CO 0.14 0.35 -0.09 -0.78 0.02 0.00 0.00 177.57 177.21 1j3u h ASP 266 N 0.86 -0.22 0.16 0.57 3.58 -1.90 -2.48 116.42 117.00 1j3u h ASP 266 Ca 0.18 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1j3u h ASP 266 Cb 0.38 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1j3u h ASP 266 CO 0.01 0.11 0.00 0.00 -2.88 0.00 0.00 179.24 176.48 1j3u n ALA 267 N -2.37 1.42 -0.10 -0.78 0.00 -0.82 -1.66 120.51 116.19 1j3u n ALA 267 Ca -0.09 -0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 1j3u n ALA 267 Cb 0.22 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 1j3u n ALA 267 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1j3u n THR 268 N -1.37 1.57 0.06 0.00 -1.04 -0.37 -4.62 114.28 108.51 1j3u n THR 268 Ca 0.03 -0.52 0.10 0.00 -2.04 0.00 0.00 64.05 61.62 1j3u n THR 268 Cb 0.06 -1.61 -0.06 0.00 -1.82 0.00 0.00 70.33 66.90 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 -3.56 0.63 -3.28 -2.82 10.64 -0.96 -4.64 117.38 113.38 1j3u n GLN 269 Ca -0.43 0.02 -0.34 0.00 -1.83 0.00 0.00 57.00 54.42 1j3u n GLN 269 Cb 0.96 -1.72 -0.06 0.00 -0.86 0.00 0.00 30.24 28.56 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 -5.12 6.78 0.00 2.61 0.01 -0.67 -4.53 114.94 114.02 1j3u s ASN 270 Ca -0.03 1.13 0.00 0.00 -0.71 0.00 0.00 52.86 53.24 1j3u s ASN 270 Cb 0.11 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.46 1j3u s ASN 270 CO 0.83 -0.05 0.62 0.35 -1.51 0.00 0.00 177.10 177.34 1j3u n THR 271 N 0.17 0.37 -0.01 1.60 -2.24 -1.26 -4.84 114.28 108.06 1j3u n THR 271 Ca -0.01 -0.44 0.23 0.00 -2.27 0.00 0.00 64.05 61.57 1j3u n THR 271 Cb 0.52 0.95 0.70 0.00 -2.10 0.00 0.00 70.33 70.40 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 0.46 3.42 2.03 -1.94 0.42 116.42 120.81 1j3u h ASP 272 Ca 0.00 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.23 1j3u h ASP 272 Cb 0.61 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.10 1j3u h ASP 272 CO 0.00 0.00 -0.33 0.00 -1.03 0.00 0.00 179.24 177.88 1j3u h TYR 274 N 0.00 0.80 -0.21 0.00 0.99 -1.30 -3.07 116.97 114.18 1j3u h TYR 274 Ca -0.00 -0.33 -0.12 0.00 2.00 0.00 0.00 58.73 60.28 1j3u h TYR 274 Cb 0.65 -0.13 -0.01 0.00 1.00 0.00 0.00 36.73 38.24 1j3u h TYR 274 CO 0.00 1.11 -0.38 1.79 -0.00 0.00 0.00 178.16 180.68 1j3u h THR 275 N 0.26 1.30 -0.69 -2.88 1.35 -1.56 -2.11 112.91 108.58 1j3u h THR 275 Ca -0.02 -1.51 0.08 0.00 -0.55 0.00 0.00 66.41 64.41 1j3u h THR 275 Cb 1.14 1.55 -0.06 0.00 -1.73 0.00 0.00 68.15 69.05 1j3u h THR 275 CO 0.11 0.47 0.36 -0.08 -0.25 0.00 0.00 175.52 176.12 1j3u h GLU 276 N 0.39 0.61 -0.01 4.72 4.81 -1.24 0.92 114.58 124.78 1j3u h GLU 276 Ca 0.04 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1j3u h GLU 276 Cb 0.84 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 1j3u h GLU 276 CO 0.07 0.40 -0.00 0.28 -0.73 0.00 0.00 179.01 179.03 1j3u h VAL 277 N 0.63 1.30 -0.74 0.32 2.07 -1.40 -2.68 116.25 115.75 1j3u h VAL 277 Ca 0.33 -0.90 0.09 0.00 0.82 0.00 0.00 66.70 67.04 1j3u h VAL 277 Cb 0.29 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 1j3u h VAL 277 CO -0.23 0.23 0.39 -1.28 0.02 0.00 0.00 177.57 176.70 1j3u h SER 278 N -0.37 0.53 -0.54 0.57 0.87 -1.01 -0.32 113.55 113.28 1j3u h SER 278 Ca 0.00 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1j3u h SER 278 Cb 0.38 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1j3u h SER 278 CO 0.00 0.31 0.36 0.28 -0.53 0.00 0.00 176.83 177.25 1j3u h SER 279 N 0.66 0.60 -0.17 6.23 0.02 -0.77 0.91 113.55 121.03 1j3u h SER 279 Ca 0.36 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.16 1j3u h SER 279 Cb 0.35 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1j3u h SER 279 CO -0.25 0.43 -0.40 0.00 -1.14 0.00 0.00 176.83 175.47 1j3u h ALA 280 N 1.67 0.28 -0.26 3.77 0.00 -0.75 -2.19 119.26 121.77 1j3u h ALA 280 Ca 0.20 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1j3u h ALA 280 Cb -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1j3u h ALA 280 CO -0.05 0.38 -0.05 -0.07 0.00 0.00 0.00 179.25 179.47 1j3u h LEU 281 N 0.23 0.38 0.27 0.00 3.38 -0.80 -1.30 115.31 117.46 1j3u h LEU 281 Ca -0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1j3u h LEU 281 Cb 1.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1j3u h LEU 281 CO 0.09 0.48 -0.13 0.50 0.09 0.00 0.00 178.44 179.47 1j3u h LYS 282 N 0.39 -0.35 -1.00 1.13 3.64 -0.74 -2.05 116.57 117.60 1j3u h LYS 282 Ca 0.08 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.67 1j3u h LYS 282 Cb 0.33 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.13 1j3u h LYS 282 CO 0.01 -0.02 0.61 0.28 -2.27 0.00 0.00 179.45 178.06 1j3u h VAL 283 N -0.72 0.72 -0.35 2.00 2.07 -1.14 0.22 116.25 119.04 1j3u h VAL 283 Ca -0.04 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1j3u h VAL 283 Cb 0.49 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1j3u h VAL 283 CO 0.06 0.13 0.16 0.00 0.02 0.00 0.00 177.57 177.95 1j3u h MET 285 N 0.43 0.00 0.33 0.00 2.86 -0.42 -0.64 114.93 117.49 1j3u h MET 285 Ca 0.12 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1j3u h MET 285 Cb 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1j3u h MET 285 CO -0.01 0.36 -0.22 0.82 1.06 0.00 0.00 176.91 178.92 1j3u h ILE 286 N 0.00 0.53 0.15 -1.22 2.04 -0.69 0.46 117.51 118.78 1j3u h ILE 286 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1j3u h ILE 286 Cb 0.84 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1j3u h ILE 286 CO 0.05 0.00 -0.11 0.78 0.00 0.00 0.00 178.15 178.87 1j3u h ASN 287 N -0.54 -0.28 -0.68 1.72 2.35 -1.24 -1.60 115.58 115.30 1j3u h ASN 287 Ca -0.03 0.02 0.06 0.00 -0.55 0.00 0.00 56.30 55.80 1j3u h ASN 287 Cb 0.46 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.88 1j3u h ASN 287 CO 0.02 -0.18 0.45 0.24 -1.65 0.00 0.00 177.43 176.31 1j3u h MET 288 N -0.27 0.70 -0.45 0.81 2.86 -0.97 0.94 114.93 118.55 1j3u h MET 288 Ca -0.01 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 1j3u h MET 288 Cb 0.23 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1j3u h MET 288 CO -0.00 0.46 -0.02 1.03 1.06 0.00 0.00 176.91 179.44 1j3u h SER 289 N 0.72 0.80 -0.54 1.22 0.87 0.31 0.12 113.55 117.05 1j3u h SER 289 Ca 0.29 -0.32 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1j3u h SER 289 Cb 0.22 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1j3u h SER 289 CO -0.09 0.92 0.16 0.50 -0.53 0.00 0.00 176.83 177.80 1j3u h LYS 290 N 0.65 0.84 -0.77 2.24 3.11 -0.23 -0.05 116.57 122.37 1j3u h LYS 290 Ca 0.12 -0.19 -0.02 0.00 -2.81 0.00 0.00 60.65 57.76 1j3u h LYS 290 Cb 0.53 -0.12 -0.04 0.00 -1.00 0.00 0.00 32.23 31.60 1j3u h LYS 290 CO 0.03 0.78 0.39 0.82 -2.81 0.00 0.00 179.45 178.66 1j3u h ILE 291 N 0.75 1.23 0.00 2.00 2.04 -0.68 -0.37 117.51 122.48 1j3u h ILE 291 Ca 0.17 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1j3u h ILE 291 Cb 0.29 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1j3u h ILE 291 CO -0.00 0.27 -0.17 0.00 0.00 0.00 0.00 178.15 178.25 1j3u h ALA 292 N 1.35 1.12 0.06 1.87 0.00 -0.01 -1.15 119.26 122.50 1j3u h ALA 292 Ca 0.27 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1j3u h ALA 292 Cb 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.85 1j3u h ALA 292 CO -0.04 0.21 -0.78 -0.91 0.00 0.00 0.00 179.25 177.74 1j3u h ASN 293 N 0.00 0.59 -0.61 0.00 2.35 0.59 -2.78 115.58 115.71 1j3u h ASN 293 Ca -0.00 -0.82 0.02 0.00 -0.55 0.00 0.00 56.30 54.95 1j3u h ASN 293 Cb 0.56 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 1j3u h ASN 293 CO 0.02 1.34 0.38 0.44 -1.65 0.00 0.00 177.43 177.96 1j3u h ASP 294 N -0.10 0.62 -0.98 5.81 3.45 -0.98 -1.38 116.42 122.87 1j3u h ASP 294 Ca -0.11 -0.00 0.06 0.00 0.43 0.00 0.00 57.03 57.40 1j3u h ASP 294 Cb 1.51 -0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 40.08 1j3u h ASP 294 CO 0.15 0.44 0.63 -0.07 -1.57 0.00 0.00 179.24 178.82 1j3u h LEU 295 N 0.75 1.02 -0.71 1.55 4.07 -1.25 0.70 115.31 121.43 1j3u h LEU 295 Ca 0.24 0.01 -0.14 0.00 0.08 0.00 0.00 57.88 58.07 1j3u h LEU 295 Cb -0.00 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 1j3u h LEU 295 CO -0.09 0.66 -0.64 0.03 -1.08 0.00 0.00 178.44 177.32 1j3u h ARG 296 N 1.16 0.03 -0.08 1.13 3.08 -1.12 -2.11 114.38 116.46 1j3u h ARG 296 Ca 0.42 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.38 1j3u h ARG 296 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1j3u h ARG 296 CO -0.16 0.66 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.13 1j3u h LEU 297 N 0.02 0.31 -1.59 3.04 3.38 -0.31 -2.44 115.31 117.72 1j3u h LEU 297 Ca -0.01 -0.57 -0.05 0.00 0.09 0.00 0.00 57.88 57.34 1j3u h LEU 297 Cb 1.13 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1j3u h LEU 297 CO 0.08 0.83 -0.21 0.24 0.09 0.00 0.00 178.44 179.47 1j3u h MET 298 N -0.19 0.00 -0.00 1.13 2.86 -0.90 -2.33 114.93 115.49 1j3u h MET 298 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1j3u h MET 298 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1j3u h MET 298 CO 0.04 0.21 -0.24 0.00 1.06 0.00 0.00 176.91 177.99 1j3u n ALA 299 N -2.36 3.00 -1.02 6.32 0.00 -0.80 -0.01 120.51 125.64 1j3u n ALA 299 Ca -0.02 -0.31 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 1j3u n ALA 299 Cb 0.31 -1.24 0.13 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.08 0.22 0.00 0.00 3.41 -0.88 -4.72 113.62 110.57 1j3u n SER 300 Ca 0.11 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1j3u n SER 300 Cb 0.32 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 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 0.78 0.16 0.15 5.00 0.00 -1.26 -1.03 105.19 108.99 1j3u n GLY 301 Ca 0.12 -1.64 0.03 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 0.07 1.61 0.13 -1.87 -3.43 132.00 128.52 1j3u h PRO 302 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 1j3u h PRO 302 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1j3u h PRO 302 CO 0.00 0.51 -1.71 0.54 -0.23 0.00 0.00 178.00 177.12 1j3u n ARG 303 N -3.42 0.68 -0.98 0.86 5.12 -1.26 -4.45 116.66 113.21 1j3u n ARG 303 Ca 0.00 0.39 -0.04 0.00 -1.93 0.00 0.00 57.85 56.27 1j3u n ARG 303 Cb 0.65 -1.72 0.30 0.00 -1.16 0.00 0.00 32.46 30.53 1j3u n ARG 303 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1j3u n ALA 304 N -3.19 4.45 -3.80 7.54 0.00 -1.26 -4.97 120.51 119.28 1j3u n ALA 304 Ca -0.32 -2.37 -0.12 0.00 0.00 0.00 0.00 53.44 50.63 1j3u n ALA 304 Cb 0.90 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.19 3.65 0.30 0.00 0.00 -1.26 -4.78 105.19 102.91 1j3u n GLY 305 Ca 0.39 -1.92 -0.05 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 0.87 -2.87 0.99 -0.00 -1.76 -3.43 115.31 109.11 1j3u h LEU 306 Ca -0.13 -0.20 -0.59 0.00 -0.00 0.00 0.00 57.88 56.96 1j3u h LEU 306 Cb 0.54 -0.23 -0.10 0.00 -0.00 0.00 0.00 40.66 40.87 1j3u h LEU 306 CO 0.20 0.90 -0.98 -1.20 -0.00 0.00 0.00 178.44 177.36 1j3u n SER 307 N -4.22 -1.55 0.02 -0.43 7.64 -0.20 -4.89 113.62 109.99 1j3u n SER 307 Ca 0.03 -1.25 -0.17 0.00 1.01 0.00 0.00 58.87 58.50 1j3u n SER 307 Cb 0.29 -1.87 -0.14 0.00 -1.01 0.00 0.00 64.21 61.47 1j3u n SER 307 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1j3u h GLU 308 N -2.15 0.19 -5.05 1.43 5.08 -0.71 -3.45 114.58 109.93 1j3u h GLU 308 Ca -0.68 -0.33 -0.42 0.00 -1.00 0.00 0.00 59.36 56.93 1j3u h GLU 308 Cb 1.40 0.12 -0.14 0.00 0.50 0.00 0.00 28.75 30.63 1j3u h GLU 308 CO 0.61 0.99 -0.60 0.96 -1.00 0.00 0.00 179.01 179.97 1j3u s ILE 309 N -2.59 0.83 -0.12 3.13 -4.36 -0.83 -2.20 121.20 115.07 1j3u s ILE 309 Ca -0.13 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.24 1j3u s ILE 309 Cb 0.07 -2.68 0.04 0.00 1.25 0.00 0.00 42.46 41.14 1j3u s ILE 309 CO 0.81 0.00 0.01 -0.69 0.24 0.00 0.00 174.94 175.31 1j3u s VAL 310 N -3.51 0.43 0.07 8.37 1.01 -0.21 -4.35 120.40 122.21 1j3u s VAL 310 Ca 0.36 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.07 1j3u s VAL 310 Cb 0.08 -0.72 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 1j3u s VAL 310 CO 0.15 0.09 0.47 -0.76 0.00 0.00 0.00 175.10 175.05 1j3u s LEU 311 N 1.93 4.42 0.72 3.92 1.43 -1.26 -1.82 118.68 128.01 1j3u s LEU 311 Ca 0.03 1.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.98 1j3u s LEU 311 Cb -0.14 -2.92 0.02 0.00 0.03 0.00 0.00 46.19 43.18 1j3u s LEU 311 CO -0.06 0.22 1.13 -0.81 0.23 0.00 0.00 176.35 177.05 1j3u n PRO 312 N 1.30 0.62 -2.69 1.29 -0.04 -1.26 -4.94 135.00 129.28 1j3u n PRO 312 Ca -0.10 0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 63.23 1j3u n PRO 312 Cb 0.52 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.55 1j3u n PRO 312 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j3u s ALA 313 N -1.75 3.33 0.00 0.55 0.00 -1.26 -4.94 121.76 117.68 1j3u s ALA 313 Ca 0.76 0.66 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1j3u s ALA 313 Cb -0.34 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1j3u s ALA 313 CO 0.47 0.07 0.00 0.54 0.00 0.00 0.00 175.76 176.84 1j3u n ARG 314 N 1.86 4.04 -3.76 0.00 5.12 -1.26 -5.04 116.66 117.61 1j3u n ARG 314 Ca -0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.78 1j3u n ARG 314 Cb 0.47 -0.33 -0.14 0.00 -1.16 0.00 0.00 32.46 31.30 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 -0.63 0.11 0.19 5.56 0.74 -1.26 -5.13 119.66 119.23 1j3u s GLN 315 Ca 0.00 0.36 -0.29 0.00 0.05 0.00 0.00 55.36 55.47 1j3u s GLN 315 Cb 0.00 -0.15 -0.17 0.00 1.10 0.00 0.00 33.01 33.79 1j3u s GLN 315 CO 0.00 -0.15 0.63 -0.35 -0.55 0.00 0.00 175.29 174.87 1j3u n PRO 316 N 4.06 0.13 -4.17 1.67 -0.04 -1.26 -4.88 135.00 130.51 1j3u n PRO 316 Ca -0.25 0.05 -0.32 0.00 -0.04 0.00 0.00 63.50 62.94 1j3u n PRO 316 Cb 0.53 -1.14 -0.08 0.00 -0.04 0.00 0.00 33.50 32.77 1j3u n PRO 316 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1j3u s GLY 317 N -0.84 1.94 0.12 0.55 0.00 -1.26 -5.03 107.32 102.80 1j3u s GLY 317 Ca 0.66 -0.96 -0.35 0.00 0.00 0.00 0.00 44.72 44.07 1j3u s GLY 317 CO 0.56 -0.87 1.30 1.44 0.00 0.00 0.00 173.10 175.53 1j3u n SER 318 N 1.06 1.66 -0.01 1.64 7.64 -1.26 -4.90 113.62 119.45 1j3u n SER 318 Ca -0.13 1.12 -0.12 0.00 1.01 0.00 0.00 58.87 60.76 1j3u n SER 318 Cb 0.52 -1.22 -0.07 0.00 -1.01 0.00 0.00 64.21 62.44 1j3u n SER 318 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1j3u h SER 319 N 4.25 0.11 0.48 6.43 0.87 -1.98 -2.53 113.55 121.17 1j3u h SER 319 Ca -0.46 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 1j3u h SER 319 Cb 1.33 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1j3u h SER 319 CO 0.76 0.24 0.00 -0.29 -0.53 0.00 0.00 176.83 177.01 1j3u h ILE 320 N -0.03 0.00 -3.32 2.23 6.09 -2.04 -3.34 117.51 117.11 1j3u h ILE 320 Ca 0.03 -0.17 -0.67 0.00 -1.37 0.00 0.00 64.86 62.68 1j3u h ILE 320 Cb 0.17 0.84 -0.38 0.00 0.47 0.00 0.00 36.82 37.92 1j3u h ILE 320 CO -0.00 0.00 -0.35 -0.04 -3.07 0.00 0.00 178.15 174.68 1j3u s MET 321 N -3.45 2.73 -0.11 2.19 -1.94 -0.95 -5.07 119.30 112.69 1j3u s MET 321 Ca 0.01 -3.05 -0.29 0.00 -1.71 0.00 0.00 55.69 50.65 1j3u s MET 321 Cb 0.08 -3.68 -0.01 0.00 2.01 0.00 0.00 34.83 33.23 1j3u s MET 321 CO 0.34 -1.23 0.99 -1.25 -0.01 0.00 0.00 175.02 173.86 1j3u s PRO 322 N -0.95 4.41 0.00 2.03 0.04 -1.25 -3.39 135.00 135.88 1j3u s PRO 322 Ca 0.23 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1j3u s PRO 322 Cb -0.12 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1j3u s PRO 322 CO -0.10 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.03 1j3u n GLY 323 N 3.12 1.21 3.59 0.56 0.00 -1.26 -5.02 105.19 107.39 1j3u n GLY 323 Ca 0.08 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 3.39 -0.27 1.61 2.20 -1.22 -4.58 119.74 120.88 1j3u s LYS 324 Ca 0.00 0.97 -0.03 0.00 -0.36 0.00 0.00 55.97 56.55 1j3u s LYS 324 Cb 0.00 -4.12 0.09 0.00 -1.51 0.00 0.00 37.83 32.29 1j3u s LYS 324 CO 0.00 -1.79 0.11 0.14 -0.36 0.00 0.00 175.35 173.44 1j3u s VAL 325 N 6.21 0.19 0.27 4.02 -7.23 -1.26 -4.59 120.40 118.01 1j3u s VAL 325 Ca 0.65 -0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 59.73 1j3u s VAL 325 Cb -0.15 -1.08 -0.10 0.00 0.56 0.00 0.00 36.38 35.61 1j3u s VAL 325 CO 0.31 -0.60 1.30 0.20 -0.31 0.00 0.00 175.10 175.99 1j3u s ASN 326 N 1.98 6.87 0.00 4.85 0.01 -1.26 -4.89 114.94 122.50 1j3u s ASN 326 Ca 0.07 2.53 -0.03 0.00 -0.71 0.00 0.00 52.86 54.71 1j3u s ASN 326 Cb -0.16 -2.63 -0.15 0.00 0.41 0.00 0.00 41.25 38.72 1j3u s ASN 326 CO -0.28 -0.50 2.38 -0.81 -1.51 0.00 0.00 177.10 176.38 1j3u n PRO 327 N 1.72 1.22 -0.42 -0.60 -0.04 -1.26 -4.65 135.00 130.98 1j3u n PRO 327 Ca 0.03 -0.56 0.34 0.00 -0.04 0.00 0.00 63.50 63.27 1j3u n PRO 327 Cb 0.42 -1.73 0.63 0.00 -0.04 0.00 0.00 33.50 32.78 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 2.19 0.24 0.27 0.52 -1.51 -1.95 -0.67 116.25 115.34 1j3u h VAL 328 Ca 0.11 -0.05 -0.01 0.00 -1.23 0.00 0.00 66.70 65.51 1j3u h VAL 328 Cb 0.95 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 1j3u h VAL 328 CO 0.27 0.03 -0.13 0.24 -1.23 0.00 0.00 177.57 176.75 1j3u h MET 329 N 0.16 -0.35 -0.00 5.19 2.86 -1.92 -2.24 114.93 118.63 1j3u h MET 329 Ca 0.75 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.42 1j3u h MET 329 Cb 2.33 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 34.07 1j3u h MET 329 CO -0.35 -0.01 0.00 -1.35 1.06 0.00 0.00 176.91 176.27 1j3u h PRO 330 N -0.75 0.00 -0.27 -0.22 0.11 -1.51 -2.39 132.00 126.96 1j3u h PRO 330 Ca -0.04 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 1j3u h PRO 330 Cb 0.50 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1j3u h PRO 330 CO 0.06 0.00 -0.34 0.93 -0.21 0.00 0.00 178.00 178.44 1j3u h GLU 331 N 0.00 0.71 0.00 1.05 5.08 -1.18 -2.56 114.58 117.68 1j3u h GLU 331 Ca 0.00 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1j3u h GLU 331 Cb 0.01 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1j3u h GLU 331 CO -0.00 1.02 0.00 -0.24 -1.00 0.00 0.00 179.01 178.79 1j3u h VAL 332 N 0.44 0.00 -0.03 3.13 3.04 -0.91 -1.36 116.25 120.57 1j3u h VAL 332 Ca 0.03 -0.38 -0.22 0.00 -1.01 0.00 0.00 66.70 65.13 1j3u h VAL 332 Cb 0.93 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1j3u h VAL 332 CO 0.08 0.00 -0.88 -0.03 -1.01 0.00 0.00 177.57 175.73 1j3u h MET 333 N 0.00 0.43 -0.48 4.17 1.85 -1.15 -2.80 114.93 116.96 1j3u h MET 333 Ca 0.00 -0.43 -0.12 0.00 -0.61 0.00 0.00 59.70 58.54 1j3u h MET 333 Cb 0.43 0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.56 1j3u h MET 333 CO 0.00 1.08 -0.19 -0.91 -0.40 0.00 0.00 176.91 176.50 1j3u h ASN 334 N 0.26 0.97 -0.05 1.39 -0.26 -0.88 -2.66 115.58 114.35 1j3u h ASN 334 Ca -0.07 -0.35 -0.13 0.00 -0.56 0.00 0.00 56.30 55.19 1j3u h ASN 334 Cb 1.50 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 38.48 1j3u h ASN 334 CO 0.15 1.13 -0.40 1.56 -1.06 0.00 0.00 177.43 178.81 1j3u h GLN 335 N 0.83 0.57 -0.18 0.81 4.20 -1.43 -2.26 115.11 117.65 1j3u h GLN 335 Ca 0.12 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.42 1j3u h GLN 335 Cb 0.75 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1j3u h GLN 335 CO 0.06 0.87 -0.38 0.28 -0.67 0.00 0.00 178.83 178.99 1j3u h VAL 336 N 0.47 1.30 -0.60 -0.54 2.07 -1.47 -1.49 116.25 115.98 1j3u h VAL 336 Ca 0.04 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1j3u h VAL 336 Cb 0.90 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1j3u h VAL 336 CO 0.08 0.46 0.38 0.00 0.02 0.00 0.00 177.57 178.51 1j3u h ALA 337 N 1.26 0.76 -0.61 1.67 0.00 -1.10 -0.50 119.26 120.75 1j3u h ALA 337 Ca 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1j3u h ALA 337 Cb 0.82 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1j3u h ALA 337 CO 0.07 0.22 0.19 0.74 0.00 0.00 0.00 179.25 180.46 1j3u h PHE 338 N 0.81 0.98 -0.12 0.00 0.05 -1.01 -1.24 116.94 116.42 1j3u h PHE 338 Ca 0.22 -0.10 0.00 0.00 3.82 0.00 0.00 57.97 61.91 1j3u h PHE 338 Cb -0.06 -0.28 -0.01 0.00 2.00 0.00 0.00 35.95 37.59 1j3u h PHE 338 CO -0.03 0.81 0.07 1.96 -0.18 0.00 0.00 178.31 180.94 1j3u h GLN 339 N 0.87 0.15 -0.78 1.51 1.08 -0.81 0.17 115.11 117.31 1j3u h GLN 339 Ca 0.20 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1j3u h GLN 339 Cb 0.29 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 1j3u h GLN 339 CO -0.01 0.10 0.51 0.28 -0.95 0.00 0.00 178.83 178.76 1j3u h VAL 340 N 0.15 1.20 0.14 -0.54 2.07 -0.92 0.39 116.25 118.74 1j3u h VAL 340 Ca 0.05 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1j3u h VAL 340 Cb -0.01 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1j3u h VAL 340 CO -0.02 0.20 -0.07 -0.26 0.02 0.00 0.00 177.57 177.44 1j3u h PHE 341 N 1.06 -0.18 -0.63 1.57 0.04 -0.54 -0.68 116.94 117.57 1j3u h PHE 341 Ca 0.28 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.06 1j3u h PHE 341 Cb -0.11 0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 1j3u h PHE 341 CO 0.00 -0.11 0.41 0.78 -0.60 0.00 0.00 178.31 178.80 1j3u h GLY 342 N -0.20 0.88 1.63 -1.45 0.00 0.10 -1.99 103.07 102.04 1j3u h GLY 342 Ca -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1j3u h GLY 342 CO 0.03 0.32 0.14 3.43 0.00 0.00 0.00 176.54 180.47 1j3u h ASN 343 N 0.85 0.43 0.91 0.19 2.35 -0.02 -1.77 115.58 118.51 1j3u h ASN 343 Ca 0.23 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1j3u h ASN 343 Cb -0.10 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 1j3u h ASN 343 CO -0.05 0.39 -0.09 -0.78 -1.65 0.00 0.00 177.43 175.25 1j3u h ASP 344 N 0.48 0.00 0.20 5.81 1.82 -0.36 0.20 116.42 124.56 1j3u h ASP 344 Ca 0.12 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.48 1j3u h ASP 344 Cb 0.09 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.13 1j3u h ASP 344 CO -0.01 0.09 -1.28 0.25 -1.61 0.00 0.00 179.24 176.68 1j3u h LEU 345 N 0.00 0.65 -0.67 2.28 6.46 -1.09 -1.37 115.31 121.56 1j3u h LEU 345 Ca -0.00 -0.93 -0.02 0.00 -0.12 0.00 0.00 57.88 56.81 1j3u h LEU 345 Cb 0.57 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 1j3u h LEU 345 CO 0.01 1.60 0.34 0.74 -0.62 0.00 0.00 178.44 180.52 1j3u h THR 346 N -0.09 1.22 -0.50 1.05 2.02 -1.13 -0.07 112.91 115.41 1j3u h THR 346 Ca -0.23 -0.59 -0.11 0.00 0.77 0.00 0.00 66.41 66.24 1j3u h THR 346 Cb 1.94 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 1j3u h THR 346 CO 0.20 0.25 -0.13 0.40 0.37 0.00 0.00 175.52 176.61 1j3u h ILE 347 N 0.93 1.27 -0.35 3.11 2.04 -0.65 -1.82 117.51 122.04 1j3u h ILE 347 Ca 0.23 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 1j3u h ILE 347 Cb 0.09 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1j3u h ILE 347 CO -0.03 0.44 0.14 0.74 0.00 0.00 0.00 178.15 179.44 1j3u h THR 348 N 0.84 1.19 -0.83 -0.27 2.02 -0.76 -2.07 112.91 113.03 1j3u h THR 348 Ca 0.13 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1j3u h THR 348 Cb 0.68 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1j3u h THR 348 CO 0.05 0.20 0.44 0.28 0.37 0.00 0.00 175.52 176.86 1j3u h SER 349 N 0.41 1.05 -0.48 4.18 0.02 -0.83 -2.71 113.55 115.19 1j3u h SER 349 Ca 0.12 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 1j3u h SER 349 Cb 0.18 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1j3u h SER 349 CO -0.01 0.85 -0.15 0.00 -1.14 0.00 0.00 176.83 176.38 1j3u h ALA 350 N 1.24 0.66 -0.50 3.77 0.00 -1.18 -2.73 119.26 120.52 1j3u h ALA 350 Ca 0.29 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1j3u h ALA 350 Cb 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1j3u h ALA 350 CO -0.04 0.60 0.33 1.03 0.00 0.00 0.00 179.25 181.16 1j3u h SER 351 N 0.80 0.57 1.08 0.00 0.87 -1.12 -2.49 113.55 113.26 1j3u h SER 351 Ca 0.12 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1j3u h SER 351 Cb 0.72 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1j3u h SER 351 CO 0.05 0.41 -0.04 -1.84 -0.53 0.00 0.00 176.83 174.89 1j3u n GLU 352 N -4.74 0.07 0.00 2.24 -0.00 -1.05 -3.12 120.64 114.04 1j3u n GLU 352 Ca 0.02 0.05 0.04 0.00 -0.00 0.00 0.00 57.16 57.28 1j3u n GLU 352 Cb 0.02 -1.57 0.24 0.00 -0.00 0.00 0.00 31.44 30.13 1j3u n GLU 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1j3u n ALA 353 N -1.57 2.50 -1.77 -1.84 0.00 -0.94 -4.86 120.51 112.03 1j3u n ALA 353 Ca 0.07 -0.05 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 1j3u n ALA 353 Cb 0.36 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 1j3u n ALA 353 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j3u s GLY 354 N -1.30 2.87 -0.07 0.00 0.00 -1.18 -4.79 107.32 102.84 1j3u s GLY 354 Ca 0.12 0.94 0.01 0.00 0.00 0.00 0.00 44.72 45.79 1j3u s GLY 354 CO 0.09 1.46 -0.07 1.20 0.00 0.00 0.00 173.10 175.78 1j3u s GLN 355 N -2.24 1.22 3.56 2.90 -0.21 -1.10 -4.97 119.66 118.81 1j3u s GLN 355 Ca 0.56 -0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.74 1j3u s GLN 355 Cb -0.30 -1.19 0.00 0.00 1.00 0.00 0.00 33.01 32.52 1j3u s GLN 355 CO 0.38 -0.12 0.00 1.19 -2.12 0.00 0.00 175.29 174.62 1j3u n PHE 356 N 4.32 0.00 1.20 0.91 3.72 -1.26 -2.30 117.46 124.05 1j3u n PHE 356 Ca -0.19 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.25 1j3u n PHE 356 Cb 0.51 0.02 0.24 0.00 -0.94 0.00 0.00 39.48 39.31 1j3u n PHE 356 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1j3u n GLU 357 N 14.00 0.60 -3.67 -1.08 0.00 -1.26 -4.74 120.64 124.49 1j3u n GLU 357 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.04 1j3u n GLU 357 Cb 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 31.44 30.14 1j3u n GLU 357 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1j3u s LEU 358 N -1.43 -0.36 -0.42 -1.84 2.96 -0.97 -3.85 118.68 112.76 1j3u s LEU 358 Ca 0.12 1.22 -0.10 0.00 -0.22 0.00 0.00 54.13 55.15 1j3u s LEU 358 Cb 0.06 2.03 0.08 0.00 0.50 0.00 0.00 46.19 48.85 1j3u s LEU 358 CO 0.10 -0.21 0.27 0.21 -1.32 0.00 0.00 176.35 175.40 1j3u s ASN 359 N 0.63 5.70 0.00 3.68 3.84 -1.26 -2.71 114.94 124.82 1j3u s ASN 359 Ca -0.03 -1.46 0.28 0.00 0.21 0.00 0.00 52.86 51.86 1j3u s ASN 359 Cb -0.05 -2.01 1.41 0.00 -0.55 0.00 0.00 41.25 40.05 1j3u s ASN 359 CO -0.04 -0.54 1.96 1.33 -2.79 0.00 0.00 177.10 177.02 1j3u n VAL 360 N 4.95 0.08 1.59 -5.21 0.24 -1.26 -3.49 118.33 115.24 1j3u n VAL 360 Ca -0.10 0.02 0.09 0.00 -2.04 0.00 0.00 64.34 62.31 1j3u n VAL 360 Cb 0.43 -0.56 0.40 0.00 -1.47 0.00 0.00 33.84 32.64 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 -1.29 1.37 -0.27 7.34 2.81 -1.26 -3.54 117.12 122.28 1j3u n MET 361 Ca 0.13 -0.56 0.06 0.00 -1.81 0.00 0.00 57.70 55.52 1j3u n MET 361 Cb 0.23 -1.31 0.29 0.00 -0.71 0.00 0.00 33.22 31.72 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 1.09 0.88 -0.10 0.03 5.08 -1.86 -3.08 114.58 116.62 1j3u h GLU 362 Ca 0.00 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1j3u h GLU 362 Cb 0.24 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1j3u h GLU 362 CO 0.00 0.59 -0.13 -1.00 -1.00 0.00 0.00 179.01 177.46 1j3u h PRO 363 N 0.91 -0.17 0.00 2.33 0.13 -1.86 0.16 132.00 133.51 1j3u h PRO 363 Ca 0.38 0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.47 1j3u h PRO 363 Cb 0.29 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 1j3u h PRO 363 CO -0.15 -0.11 -0.25 -0.24 -0.23 0.00 0.00 178.00 177.02 1j3u h VAL 364 N -0.18 1.08 -0.19 1.56 3.04 -1.72 -1.42 116.25 118.43 1j3u h VAL 364 Ca 0.08 -0.87 -0.04 0.00 -1.01 0.00 0.00 66.70 64.86 1j3u h VAL 364 Cb 0.29 1.48 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 1j3u h VAL 364 CO -0.20 0.24 -0.02 0.25 -1.01 0.00 0.00 177.57 176.83 1j3u h LEU 365 N 0.00 0.35 -0.69 3.16 6.46 -1.26 -2.74 115.31 120.58 1j3u h LEU 365 Ca -0.00 -0.33 -0.12 0.00 -0.12 0.00 0.00 57.88 57.30 1j3u h LEU 365 Cb 0.46 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1j3u h LEU 365 CO 0.03 0.60 -0.27 -0.26 -0.62 0.00 0.00 178.44 177.92 1j3u h PHE 366 N 0.09 0.83 -0.96 1.25 0.04 -0.35 -1.49 116.94 116.34 1j3u h PHE 366 Ca 0.05 -0.20 0.08 0.00 2.80 0.00 0.00 57.97 60.70 1j3u h PHE 366 Cb 0.43 -0.19 -0.07 0.00 2.20 0.00 0.00 35.95 38.32 1j3u h PHE 366 CO 0.04 0.91 0.61 0.35 -0.60 0.00 0.00 178.31 179.62 1j3u h PHE 367 N 0.62 1.12 -0.01 -0.55 3.57 -1.20 -0.99 116.94 119.50 1j3u h PHE 367 Ca 0.08 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.44 1j3u h PHE 367 Cb 0.78 -0.36 0.01 0.00 2.79 0.00 0.00 35.95 39.17 1j3u h PHE 367 CO 0.04 0.54 -0.66 -0.91 -2.23 0.00 0.00 178.31 175.09 1j3u h ASN 368 N 1.07 0.60 0.03 0.41 4.21 -1.20 -1.85 115.58 118.84 1j3u h ASN 368 Ca 0.43 -0.74 0.01 0.00 1.21 0.00 0.00 56.30 57.21 1j3u h ASN 368 Cb 0.25 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.25 1j3u h ASN 368 CO -0.20 1.27 -0.10 0.25 -1.29 0.00 0.00 177.43 177.35 1j3u h LEU 369 N -0.00 -0.29 -1.17 1.61 6.46 -1.02 0.11 115.31 120.99 1j3u h LEU 369 Ca -0.08 0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.66 1j3u h LEU 369 Cb 1.36 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.39 1j3u h LEU 369 CO 0.13 -0.15 -0.11 0.40 -0.62 0.00 0.00 178.44 178.09 1j3u h ILE 370 N -0.19 1.22 0.39 4.05 2.04 -1.28 -2.04 117.51 121.69 1j3u h ILE 370 Ca 0.03 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1j3u h ILE 370 Cb 0.23 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1j3u h ILE 370 CO -0.08 0.31 -0.19 -0.61 0.00 0.00 0.00 178.15 177.58 1j3u h GLN 371 N 0.41 -0.50 -0.44 2.37 4.15 -0.75 -1.74 115.11 118.61 1j3u h GLN 371 Ca 0.08 0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.61 1j3u h GLN 371 Cb 0.45 0.11 -0.09 0.00 0.21 0.00 0.00 27.48 28.16 1j3u h GLN 371 CO 0.02 -0.21 -0.38 0.77 -1.93 0.00 0.00 178.83 177.11 1j3u h SER 372 N -0.80 -1.28 -0.76 -0.69 0.02 -0.64 0.21 113.55 109.62 1j3u h SER 372 Ca -0.05 0.21 0.12 0.00 -0.84 0.00 0.00 61.79 61.23 1j3u h SER 372 Cb 0.53 0.58 -0.08 0.00 0.14 0.00 0.00 62.40 63.57 1j3u h SER 372 CO 0.09 -0.34 0.37 0.40 -1.14 0.00 0.00 176.83 176.20 1j3u h ILE 373 N -0.28 0.77 0.23 3.27 2.04 -1.36 -1.74 117.51 120.44 1j3u h ILE 373 Ca 0.16 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1j3u h ILE 373 Cb 0.56 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1j3u h ILE 373 CO -0.58 0.11 -0.11 -1.28 0.00 0.00 0.00 178.15 176.28 1j3u h SER 374 N 0.58 -0.26 -0.82 1.72 0.87 -0.15 -2.72 113.55 112.77 1j3u h SER 374 Ca 0.40 0.01 0.22 0.00 -1.23 0.00 0.00 61.79 61.19 1j3u h SER 374 Cb 0.51 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.50 1j3u h SER 374 CO -0.33 -0.15 0.58 0.16 -0.53 0.00 0.00 176.83 176.56 1j3u h ILE 375 N -0.36 0.62 -0.22 2.23 3.07 -0.99 -0.58 117.51 121.28 1j3u h ILE 375 Ca -0.03 -0.03 -0.06 0.00 1.55 0.00 0.00 64.86 66.29 1j3u h ILE 375 Cb 0.23 0.52 -0.01 0.00 -0.27 0.00 0.00 36.82 37.30 1j3u h ILE 375 CO 0.05 0.02 -0.10 0.24 -1.05 0.00 0.00 178.15 177.30 1j3u h MET 376 N 0.09 0.45 -0.72 0.16 2.86 -1.34 -1.52 114.93 114.92 1j3u h MET 376 Ca 0.40 -0.20 0.05 0.00 -2.06 0.00 0.00 59.70 57.89 1j3u h MET 376 Cb 1.44 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 33.04 1j3u h MET 376 CO -0.04 0.73 0.43 1.15 1.06 0.00 0.00 176.91 180.24 1j3u h THR 377 N 0.16 1.04 -0.13 2.22 2.02 -0.80 -0.18 112.91 117.24 1j3u h THR 377 Ca 0.05 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1j3u h THR 377 Cb 0.59 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1j3u h THR 377 CO 0.03 0.15 -0.03 0.78 0.37 0.00 0.00 175.52 176.82 1j3u h ASN 378 N 0.82 0.25 -0.34 4.18 4.21 -1.29 -0.68 115.58 122.74 1j3u h ASN 378 Ca 0.31 -0.36 -0.11 0.00 1.21 0.00 0.00 56.30 57.35 1j3u h ASN 378 Cb 0.11 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 1j3u h ASN 378 CO -0.15 0.55 -0.16 -0.37 -1.29 0.00 0.00 177.43 176.02 1j3u h VAL 379 N -0.05 1.26 0.01 2.81 -1.51 -1.16 -1.93 116.25 115.68 1j3u h VAL 379 Ca 0.03 -1.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.25 1j3u h VAL 379 Cb 0.44 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.70 1j3u h VAL 379 CO 0.01 0.43 -0.03 -0.26 -1.23 0.00 0.00 177.57 176.49 1j3u h PHE 380 N 0.71 -0.08 0.07 5.19 0.04 -0.96 0.98 116.94 122.89 1j3u h PHE 380 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1j3u h PHE 380 Cb 0.66 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 1j3u h PHE 380 CO 0.04 -0.05 -0.17 0.87 -0.60 0.00 0.00 178.31 178.40 1j3u h LYS 381 N -0.06 -0.25 -0.22 1.51 6.56 -0.89 -2.00 116.57 121.23 1j3u h LYS 381 Ca 0.01 0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.56 1j3u h LYS 381 Cb 0.07 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 1j3u h LYS 381 CO -0.03 -0.17 -0.13 0.66 -2.06 0.00 0.00 179.45 177.73 1j3u h SER 382 N -0.26 0.34 -0.69 0.86 4.64 -1.31 -2.40 113.55 114.73 1j3u h SER 382 Ca -0.01 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 1j3u h SER 382 Cb 0.25 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 1j3u h SER 382 CO -0.08 0.50 0.33 0.15 -0.87 0.00 0.00 176.83 176.86 1j3u h PHE 383 N 0.33 1.00 -0.23 4.77 3.04 0.11 0.29 116.94 126.27 1j3u h PHE 383 Ca 0.07 -0.05 -0.17 0.00 3.98 0.00 0.00 57.97 61.79 1j3u h PHE 383 Cb 0.43 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1j3u h PHE 383 CO 0.01 0.75 -0.52 1.79 -2.02 0.00 0.00 178.31 178.32 1j3u h THR 384 N 0.96 1.30 0.06 4.41 1.35 -1.17 -1.86 112.91 117.96 1j3u h THR 384 Ca 0.24 -1.73 -0.00 0.00 -0.55 0.00 0.00 66.41 64.37 1j3u h THR 384 Cb 0.13 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1j3u h THR 384 CO -0.03 0.55 -0.03 -0.08 -0.25 0.00 0.00 175.52 175.68 1j3u h GLU 385 N 0.48 -0.08 -0.84 4.72 4.57 -1.33 -1.21 114.58 120.88 1j3u h GLU 385 Ca -0.00 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1j3u h GLU 385 Cb 1.13 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1j3u h GLU 385 CO 0.11 0.42 0.01 0.09 -1.18 0.00 0.00 179.01 178.46 1j3u n ASN 386 N -4.88 2.88 0.15 1.04 3.02 0.10 -4.61 115.26 112.96 1j3u n ASN 386 Ca -0.09 -2.38 0.00 0.00 -0.03 0.00 0.00 54.58 52.09 1j3u n ASN 386 Cb 0.27 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1j3u n ASN 386 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j3u h LEU 388 N 0.00 -1.18 -1.45 0.00 5.85 -1.10 -2.77 115.31 114.67 1j3u h LEU 388 Ca 0.00 0.12 0.18 0.00 0.84 0.00 0.00 57.88 59.02 1j3u h LEU 388 Cb 0.00 0.43 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 1j3u h LEU 388 CO 0.00 -0.51 0.58 0.11 -0.34 0.00 0.00 178.44 178.28 1j3u h LYS 389 N -0.71 0.47 -1.00 1.25 1.57 -1.48 -2.65 116.57 114.02 1j3u h LYS 389 Ca 0.00 -0.03 -0.52 0.00 -1.87 0.00 0.00 60.65 58.23 1j3u h LYS 389 Cb 0.70 -0.11 -0.31 0.00 0.08 0.00 0.00 32.23 32.59 1j3u h LYS 389 CO -0.18 0.31 0.66 0.41 -0.57 0.00 0.00 179.45 180.08 1j3u n GLY 390 N -1.49 4.53 3.70 3.86 0.00 -1.05 -4.97 105.19 109.78 1j3u n GLY 390 Ca 0.18 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.33 4.87 0.22 -0.61 1.01 -1.00 -4.05 121.20 118.30 1j3u s ILE 391 Ca 0.57 1.96 0.09 0.00 0.00 0.00 0.00 60.65 63.27 1j3u s ILE 391 Cb 0.48 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1j3u s ILE 391 CO 0.11 0.12 -0.04 -0.54 0.00 0.00 0.00 174.94 174.59 1j3u s LYS 392 N 1.30 2.22 0.24 2.79 3.01 -0.76 -4.99 119.74 123.56 1j3u s LYS 392 Ca 0.49 -1.31 0.09 0.00 -1.01 0.00 0.00 55.97 54.22 1j3u s LYS 392 Cb -0.20 -2.19 -0.04 0.00 -1.01 0.00 0.00 37.83 34.39 1j3u s LYS 392 CO 0.23 0.41 -0.01 0.00 0.51 0.00 0.00 175.35 176.49 1j3u s ALA 393 N -1.99 3.16 -0.81 5.17 0.00 -1.26 -1.05 121.76 124.98 1j3u s ALA 393 Ca 0.28 -1.57 0.02 0.00 0.00 0.00 0.00 51.96 50.69 1j3u s ALA 393 Cb -0.08 -0.83 0.33 0.00 0.00 0.00 0.00 23.12 22.55 1j3u s ALA 393 CO 0.18 0.33 1.43 0.09 0.00 0.00 0.00 175.76 177.78 1j3u n ASN 394 N -0.66 6.04 -0.28 0.00 3.02 -0.93 -4.91 115.26 117.53 1j3u n ASN 394 Ca -0.08 -3.70 0.06 0.00 -0.03 0.00 0.00 54.58 50.84 1j3u n ASN 394 Cb 0.58 -0.88 0.14 0.00 -0.61 0.00 0.00 39.78 39.01 1j3u n ASN 394 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1j3u n GLU 395 N -0.17 -0.07 0.13 3.52 1.02 -1.26 -0.33 120.64 123.48 1j3u n GLU 395 Ca 0.40 1.22 -0.13 0.00 -0.02 0.00 0.00 57.16 58.63 1j3u n GLU 395 Cb 0.33 -1.86 -0.06 0.00 -0.02 0.00 0.00 31.44 29.83 1j3u n GLU 395 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1j3u h GLU 396 N 0.00 -0.41 -0.61 3.49 4.39 -1.95 0.48 114.58 119.97 1j3u h GLU 396 Ca 0.40 0.03 0.13 0.00 0.34 0.00 0.00 59.36 60.26 1j3u h GLU 396 Cb 0.68 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 29.32 1j3u h GLU 396 CO -0.80 -0.27 0.02 -0.09 -1.16 0.00 0.00 179.01 176.71 1j3u h ARG 397 N -0.42 0.13 -0.18 2.33 9.65 -1.04 -1.68 114.38 123.17 1j3u h ARG 397 Ca 0.01 -0.01 -0.18 0.00 -1.10 0.00 0.00 59.98 58.70 1j3u h ARG 397 Cb 0.41 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1j3u h ARG 397 CO -0.08 0.09 -0.62 0.52 2.80 0.00 0.00 179.97 182.68 1j3u h MET 398 N 0.13 0.63 -0.20 0.20 2.86 -0.99 -2.79 114.93 114.77 1j3u h MET 398 Ca 0.32 -0.44 0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1j3u h MET 398 Cb 0.51 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.18 1j3u h MET 398 CO -0.51 1.05 -0.20 0.87 1.06 0.00 0.00 176.91 179.18 1j3u h LYS 399 N 0.47 -0.21 0.00 1.72 1.57 0.86 -1.53 116.57 119.44 1j3u h LYS 399 Ca -0.01 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1j3u h LYS 399 Cb 1.19 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1j3u h LYS 399 CO 0.12 -0.14 -0.35 1.05 -0.57 0.00 0.00 179.45 179.56 1j3u h GLU 400 N -0.22 0.00 -0.20 3.15 4.11 -1.46 -1.94 114.58 118.02 1j3u h GLU 400 Ca 0.12 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.59 1j3u h GLU 400 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1j3u h GLU 400 CO -0.33 0.35 0.14 1.88 0.07 0.00 0.00 179.01 181.12 1j3u h TYR 401 N 0.00 0.10 0.00 2.06 0.05 -1.00 0.61 116.97 118.79 1j3u h TYR 401 Ca -0.00 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.61 1j3u h TYR 401 Cb 0.69 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.37 1j3u h TYR 401 CO 0.00 0.06 -0.81 0.28 -1.05 0.00 0.00 178.16 176.64 1j3u h VAL 402 N 0.10 1.44 0.08 -2.88 2.07 -0.91 -3.04 116.25 113.12 1j3u h VAL 402 Ca 0.09 -2.92 -0.00 0.00 0.82 0.00 0.00 66.70 64.69 1j3u h VAL 402 Cb 0.23 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1j3u h VAL 402 CO -0.01 0.80 -0.04 -0.33 0.02 0.00 0.00 177.57 178.00 1j3u h GLU 403 N 0.00 -0.11 0.00 1.57 4.39 -0.79 -3.20 114.58 116.44 1j3u h GLU 403 Ca -0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1j3u h GLU 403 Cb 1.57 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.25 1j3u h GLU 403 CO 0.11 0.41 0.00 1.63 -1.16 0.00 0.00 179.01 179.99 1j3u n LYS 404 N -4.87 0.55 -2.11 2.33 4.76 -0.38 -4.15 118.16 114.28 1j3u n LYS 404 Ca -0.08 0.03 -0.28 0.00 -2.87 0.00 0.00 58.31 55.11 1j3u n LYS 404 Cb 0.28 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 32.03 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 -2.17 5.24 -0.26 4.39 1.04 -1.15 -4.92 113.70 115.87 1j3u s SER 405 Ca 0.28 0.82 -0.09 0.00 0.48 0.00 0.00 55.95 57.44 1j3u s SER 405 Cb 0.14 -1.61 -0.13 0.00 0.10 0.00 0.00 66.02 64.52 1j3u s SER 405 CO 0.26 -1.38 -0.31 -0.38 0.98 0.00 0.00 173.24 172.42 1j3u n ILE 406 N -2.90 1.45 -0.56 -1.02 -0.00 -1.26 -4.49 119.36 110.58 1j3u n ILE 406 Ca 0.06 -0.42 0.46 0.00 -0.00 0.00 0.00 62.75 62.86 1j3u n ILE 406 Cb 0.58 -1.72 0.76 0.00 -0.00 0.00 0.00 39.64 39.26 1j3u n ILE 406 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 1j3u h GLY 407 N -0.11 0.00 1.36 7.39 0.00 -1.91 0.44 103.07 110.23 1j3u h GLY 407 Ca -0.64 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1j3u h GLY 407 CO -0.32 0.00 0.30 1.19 0.00 0.00 0.00 176.54 177.72 1j3u h ILE 408 N 0.00 0.00 -0.69 2.60 2.10 -1.79 -0.26 117.51 119.47 1j3u h ILE 408 Ca 0.80 0.00 0.02 0.00 1.08 0.00 0.00 64.86 66.77 1j3u h ILE 408 Cb 3.38 0.59 -0.04 0.00 -1.09 0.00 0.00 36.82 39.67 1j3u h ILE 408 CO -0.01 0.00 0.46 -0.29 -1.08 0.00 0.00 178.15 177.23 1j3u h ILE 409 N 0.00 1.13 -0.88 2.19 6.09 -0.44 -1.96 117.51 123.64 1j3u h ILE 409 Ca 0.00 -0.30 0.12 0.00 -1.37 0.00 0.00 64.86 63.31 1j3u h ILE 409 Cb 0.60 0.18 -0.07 0.00 0.47 0.00 0.00 36.82 38.00 1j3u h ILE 409 CO 0.00 0.16 0.57 0.74 -3.07 0.00 0.00 178.15 176.55 1j3u h THR 410 N 0.88 0.90 -0.26 2.19 2.02 -1.26 1.60 112.91 118.98 1j3u h THR 410 Ca 0.27 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1j3u h THR 410 Cb -0.01 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 1j3u h THR 410 CO -0.07 0.14 -0.12 0.00 0.37 0.00 0.00 175.52 175.84 1j3u h ALA 411 N 1.58 0.36 -0.15 6.16 0.00 -1.54 -3.27 119.26 122.41 1j3u h ALA 411 Ca 0.43 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 1j3u h ALA 411 Cb 0.56 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1j3u h ALA 411 CO -0.19 0.22 -0.75 0.82 0.00 0.00 0.00 179.25 179.35 1j3u h ILE 412 N 0.26 1.30 -0.81 0.00 2.04 -1.02 -3.36 117.51 115.92 1j3u h ILE 412 Ca 0.06 -1.98 0.14 0.00 1.00 0.00 0.00 64.86 64.07 1j3u h ILE 412 Cb 0.63 1.97 -0.14 0.00 -0.74 0.00 0.00 36.82 38.54 1j3u h ILE 412 CO 0.04 0.62 -0.27 -3.20 0.00 0.00 0.00 178.15 175.34 1j3u n ASN 413 N -3.92 -0.43 -0.07 1.72 5.15 0.53 -0.09 115.26 118.15 1j3u n ASN 413 Ca -0.06 1.40 0.19 0.00 -0.60 0.00 0.00 54.58 55.51 1j3u n ASN 413 Cb 0.73 -0.36 0.62 0.00 -0.53 0.00 0.00 39.78 40.24 1j3u n ASN 413 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1j3u h PRO 414 N 0.00 0.15 -0.51 1.20 0.11 -1.74 0.25 132.00 131.46 1j3u h PRO 414 Ca 0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1j3u h PRO 414 Cb 0.53 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1j3u h PRO 414 CO -0.81 0.10 0.00 0.72 -0.21 0.00 0.00 178.00 177.80 1j3u n HIS 415 N -4.41 0.74 -0.54 0.65 8.25 0.87 -4.26 115.22 116.52 1j3u n HIS 415 Ca 0.12 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1j3u n HIS 415 Cb 0.60 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1j3u n HIS 415 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1j3u n VAL 416 N 0.71 0.00 0.00 1.59 0.31 -0.27 -5.08 118.33 115.60 1j3u n VAL 416 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1j3u n VAL 416 Cb 0.47 0.75 0.00 0.00 -0.91 0.00 0.00 33.84 34.15 1j3u n VAL 416 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j3u n GLY 417 N 0.00 -2.64 0.37 2.92 0.00 0.71 -4.25 105.19 102.30 1j3u n GLY 417 Ca 0.00 -1.28 0.10 0.00 0.00 0.00 0.00 46.02 44.84 1j3u n GLY 417 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1j3u h TYR 418 N 0.00 0.94 0.27 1.61 -0.00 -1.97 -1.47 116.97 116.36 1j3u h TYR 418 Ca 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 58.73 58.76 1j3u h TYR 418 Cb 0.00 -0.30 -0.03 0.00 -0.00 0.00 0.00 36.73 36.40 1j3u h TYR 418 CO 0.00 0.36 -0.37 1.05 -0.00 0.00 0.00 178.16 179.19 1j3u h GLU 419 N 0.81 -0.68 -0.03 0.10 9.09 -1.96 -1.99 114.58 119.92 1j3u h GLU 419 Ca 0.47 0.05 -0.22 0.00 0.05 0.00 0.00 59.36 59.70 1j3u h GLU 419 Cb 0.63 0.15 0.00 0.00 -1.65 0.00 0.00 28.75 27.89 1j3u h GLU 419 CO -0.23 -0.45 -0.90 1.15 0.05 0.00 0.00 179.01 178.63 1j3u h THR 420 N -0.70 1.38 -0.43 -1.06 2.02 -1.69 -3.09 112.91 109.33 1j3u h THR 420 Ca -0.01 -2.34 -0.02 0.00 0.77 0.00 0.00 66.41 64.81 1j3u h THR 420 Cb 0.67 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 1j3u h THR 420 CO -0.13 0.70 0.18 0.00 0.37 0.00 0.00 175.52 176.64 1j3u h ALA 421 N 0.74 1.51 -0.18 6.16 0.00 -1.25 -0.07 119.26 126.16 1j3u h ALA 421 Ca -0.07 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1j3u h ALA 421 Cb 1.52 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1j3u h ALA 421 CO 0.16 0.39 -0.51 0.00 0.00 0.00 0.00 179.25 179.29 1j3u h ALA 422 N 1.59 0.31 -0.07 0.00 0.00 -1.39 -1.37 119.26 118.33 1j3u h ALA 422 Ca 0.15 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1j3u h ALA 422 Cb 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1j3u h ALA 422 CO -0.02 0.49 0.04 1.57 0.00 0.00 0.00 179.25 181.33 1j3u h LYS 423 N 0.36 0.10 -0.74 0.00 5.09 -1.38 0.90 116.57 120.89 1j3u h LYS 423 Ca -0.01 -0.01 0.07 0.00 0.09 0.00 0.00 60.65 60.78 1j3u h LYS 423 Cb 1.12 -0.02 -0.06 0.00 0.10 0.00 0.00 32.23 33.38 1j3u h LYS 423 CO 0.11 0.17 0.43 -0.07 -2.09 0.00 0.00 179.45 178.00 1j3u h LEU 424 N 0.00 0.64 0.04 7.07 3.38 -1.03 -1.99 115.31 123.42 1j3u h LEU 424 Ca 0.02 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1j3u h LEU 424 Cb 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1j3u h LEU 424 CO -0.00 0.40 -0.02 0.00 0.09 0.00 0.00 178.44 178.91 1j3u h ALA 425 N 1.38 -0.06 0.32 1.53 0.00 -0.88 -2.57 119.26 118.99 1j3u h ALA 425 Ca 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1j3u h ALA 425 Cb 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1j3u h ALA 425 CO -0.19 -0.38 -0.30 0.00 0.00 0.00 0.00 179.25 178.38 1j3u h ARG 426 N -0.36 -0.59 -0.57 0.00 3.08 -0.63 -2.20 114.38 113.11 1j3u h ARG 426 Ca -0.01 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.20 1j3u h ARG 426 Cb 0.33 0.13 -0.11 0.00 0.08 0.00 0.00 29.97 30.40 1j3u h ARG 426 CO 0.01 -0.39 -0.25 1.49 -1.07 0.00 0.00 179.97 179.76 1j3u h GLU 427 N -0.61 -0.10 -0.28 0.04 4.81 -1.46 0.20 114.58 117.17 1j3u h GLU 427 Ca -0.04 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1j3u h GLU 427 Cb 0.52 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1j3u h GLU 427 CO -0.02 -0.07 0.21 0.00 -0.73 0.00 0.00 179.01 178.40 1j3u h ALA 428 N 1.26 2.25 -0.08 2.92 0.00 -1.40 0.18 119.26 124.40 1j3u h ALA 428 Ca 0.26 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.95 1j3u h ALA 428 Cb 0.51 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1j3u h ALA 428 CO -0.64 -0.35 -0.75 -0.92 0.00 0.00 0.00 179.25 176.58 1j3u h TYR 429 N 0.00 0.91 0.01 0.00 3.20 0.01 -1.94 116.97 119.15 1j3u h TYR 429 Ca 0.13 -0.44 -0.13 0.00 3.14 0.00 0.00 58.73 61.44 1j3u h TYR 429 Cb 0.55 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.70 1j3u h TYR 429 CO 0.00 1.26 -0.51 -0.07 -1.64 0.00 0.00 178.16 177.20 1j3u h LEU 430 N 0.30 0.44 0.00 2.82 -0.00 -0.31 -3.36 115.31 115.20 1j3u h LEU 430 Ca -0.07 -0.78 -0.27 0.00 -0.00 0.00 0.00 57.88 56.76 1j3u h LEU 430 Cb 1.41 -0.13 0.02 0.00 -0.00 0.00 0.00 40.66 41.95 1j3u h LEU 430 CO 0.15 1.16 -1.11 0.71 -0.00 0.00 0.00 178.44 179.35 1j3u h THR 431 N -0.24 1.34 0.00 0.22 1.35 -0.82 -3.48 112.91 111.28 1j3u h THR 431 Ca -0.07 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 63.31 1j3u h THR 431 Cb 1.25 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 70.24 1j3u h THR 431 CO 0.10 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 1j3u n GLY 432 N 1.20 0.75 3.81 5.82 0.00 -0.73 -5.08 105.19 110.96 1j3u n GLY 432 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1j3u n GLY 432 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3u s GLU 433 N -0.70 4.27 0.77 1.61 2.02 -1.22 -5.02 118.70 120.43 1j3u s GLU 433 Ca 0.00 0.92 -0.14 0.00 0.02 0.00 0.00 54.97 55.77 1j3u s GLU 433 Cb 0.00 -2.80 0.06 0.00 0.10 0.00 0.00 34.13 31.49 1j3u s GLU 433 CO 0.00 0.34 1.19 -1.54 0.02 0.00 0.00 175.26 175.27 1j3u s SER 434 N -1.73 3.97 0.43 -0.19 1.04 -1.26 -4.57 113.70 111.38 1j3u s SER 434 Ca 0.46 2.31 0.20 0.00 0.48 0.00 0.00 55.95 59.39 1j3u s SER 434 Cb -0.16 -2.58 0.97 0.00 0.10 0.00 0.00 66.02 64.35 1j3u s SER 434 CO 0.21 -2.41 1.89 -0.29 0.98 0.00 0.00 173.24 173.62 1j3u h ILE 435 N -0.62 0.89 -0.36 -1.02 2.10 -1.81 -2.78 117.51 113.92 1j3u h ILE 435 Ca -0.47 -1.06 -0.01 0.00 1.08 0.00 0.00 64.86 64.40 1j3u h ILE 435 Cb 1.29 1.63 -0.02 0.00 -1.09 0.00 0.00 36.82 38.63 1j3u h ILE 435 CO 0.48 0.27 0.18 -0.09 -1.08 0.00 0.00 178.15 177.91 1j3u h ARG 436 N 0.00 0.51 -0.06 2.19 2.43 -1.90 -2.59 114.38 114.96 1j3u h ARG 436 Ca -0.00 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1j3u h ARG 436 Cb 0.60 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1j3u h ARG 436 CO 0.04 0.45 0.04 0.93 -1.51 0.00 0.00 179.97 179.91 1j3u h GLU 437 N 0.45 0.09 -0.09 0.20 5.08 -1.86 -2.77 114.58 115.67 1j3u h GLU 437 Ca 0.12 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1j3u h GLU 437 Cb 0.10 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1j3u h GLU 437 CO -0.02 0.12 0.10 -0.07 -1.00 0.00 0.00 179.01 178.14 1j3u h LEU 438 N 0.03 0.00 -0.31 1.33 4.07 -1.39 0.22 115.31 119.26 1j3u h LEU 438 Ca 0.02 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.79 1j3u h LEU 438 Cb 0.06 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1j3u h LEU 438 CO -0.00 0.00 -0.86 0.00 -1.08 0.00 0.00 178.44 176.50 1j3u h ILE 440 N 0.06 1.29 0.06 0.00 2.04 -1.08 0.38 117.51 120.26 1j3u h ILE 440 Ca -0.03 -2.36 0.01 0.00 1.00 0.00 0.00 64.86 63.48 1j3u h ILE 440 Cb 1.49 2.87 -0.02 0.00 -0.74 0.00 0.00 36.82 40.43 1j3u h ILE 440 CO 0.12 0.60 -0.13 0.11 0.00 0.00 0.00 178.15 178.85 1j3u h LYS 441 N -0.65 -0.24 0.00 2.37 1.57 -0.75 0.99 116.57 119.87 1j3u h LYS 441 Ca -0.21 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1j3u h LYS 441 Cb 1.44 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.81 1j3u h LYS 441 CO 0.00 -0.16 0.00 0.66 -0.57 0.00 0.00 179.45 179.38 1j3u n TYR 442 N -5.25 0.00 -2.93 -1.35 4.01 -0.70 -4.97 117.16 105.98 1j3u n TYR 442 Ca -0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.67 1j3u n TYR 442 Cb 0.17 -0.30 -0.01 0.00 -0.31 0.00 0.00 39.34 38.89 1j3u n TYR 442 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1j3u n GLY 443 N 0.77 -2.22 0.00 2.72 0.00 0.34 -4.96 105.19 101.84 1j3u n GLY 443 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1j3u n GLY 443 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1j3u n VAL 444 N 1.42 0.00 -3.72 1.61 3.14 0.12 -4.97 118.33 115.93 1j3u n VAL 444 Ca -0.07 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.19 1j3u n VAL 444 Cb 0.28 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 32.95 1j3u n VAL 444 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1j3u s LEU 445 N -0.27 0.24 0.49 6.55 1.43 -1.16 -5.07 118.68 120.88 1j3u s LEU 445 Ca 0.00 0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 53.76 1j3u s LEU 445 Cb 0.00 1.22 -0.06 0.00 0.03 0.00 0.00 46.19 47.38 1j3u s LEU 445 CO 0.00 -0.17 0.89 0.42 0.23 0.00 0.00 176.35 177.72 1j3u s THR 446 N 0.94 4.70 0.39 5.49 -4.23 -1.26 -4.02 115.64 117.64 1j3u s THR 446 Ca -0.06 0.81 0.20 0.00 -1.18 0.00 0.00 61.69 61.46 1j3u s THR 446 Cb -0.07 -3.77 0.39 0.00 1.34 0.00 0.00 72.50 70.40 1j3u s THR 446 CO -0.07 -0.73 1.70 -0.33 -0.54 0.00 0.00 174.62 174.65 1j3u h GLU 447 N 0.74 0.29 0.03 3.99 4.39 -1.97 -0.65 114.58 121.41 1j3u h GLU 447 Ca -0.46 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.22 1j3u h GLU 447 Cb 1.19 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1j3u h GLU 447 CO 0.62 0.19 -0.01 0.93 -1.16 0.00 0.00 179.01 179.59 1j3u h GLU 448 N 0.30 -0.04 -0.02 2.33 3.07 -2.01 -3.07 114.58 115.15 1j3u h GLU 448 Ca 0.70 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.57 1j3u h GLU 448 Cb 1.83 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.74 1j3u h GLU 448 CO -0.43 0.61 0.14 0.37 -1.40 0.00 0.00 179.01 178.29 1j3u h GLN 449 N -0.73 0.00 0.18 2.33 4.15 -1.56 -2.19 115.11 117.28 1j3u h GLN 449 Ca -0.00 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.12 1j3u h GLN 449 Cb 0.66 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.37 1j3u h GLN 449 CO 0.01 0.00 -1.42 1.25 -1.93 0.00 0.00 178.83 176.74 1j3u h LEU 450 N 0.00 0.60 -1.11 -2.39 5.85 -1.17 -3.32 115.31 113.77 1j3u h LEU 450 Ca 0.01 -0.92 -0.07 0.00 0.84 0.00 0.00 57.88 57.74 1j3u h LEU 450 Cb 0.28 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1j3u h LEU 450 CO -0.00 1.65 -0.36 0.78 -0.34 0.00 0.00 178.44 180.18 1j3u h ASN 451 N -0.07 0.00 0.66 1.25 2.35 -1.31 0.21 115.58 118.67 1j3u h ASN 451 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1j3u h ASN 451 Cb 1.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.32 1j3u h ASN 451 CO 0.17 0.36 0.00 -0.62 -1.65 0.00 0.00 177.43 175.69 1j3u n GLU 452 N -3.65 0.05 -0.09 0.81 -0.58 -1.00 -3.21 120.64 112.96 1j3u n GLU 452 Ca -0.01 0.14 -0.17 0.00 -0.42 0.00 0.00 57.16 56.70 1j3u n GLU 452 Cb 0.46 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.76 1j3u n GLU 452 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1j3u n ILE 453 N -1.47 1.04 -0.39 -3.67 5.41 -0.72 -4.53 119.36 115.04 1j3u n ILE 453 Ca 0.06 -0.32 -0.00 0.00 1.00 0.00 0.00 62.75 63.49 1j3u n ILE 453 Cb 0.23 -1.51 -0.00 0.00 -0.71 0.00 0.00 39.64 37.64 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 -3.53 4.02 -4.63 1.39 4.77 0.64 -4.71 117.00 114.95 1j3u n LEU 454 Ca -0.35 -1.83 -0.43 0.00 -0.03 0.00 0.00 56.01 53.36 1j3u n LEU 454 Cb 0.80 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 1j3u n LEU 454 CO 0.08 0.77 1.18 0.21 -1.33 0.00 0.00 177.39 178.31 1j3u s ASN 455 N 2.01 6.64 0.24 -1.43 3.84 -1.23 -4.92 114.94 120.08 1j3u s ASN 455 Ca 0.02 1.35 -0.09 0.00 0.21 0.00 0.00 52.86 54.34 1j3u s ASN 455 Cb 0.01 -2.54 0.37 0.00 -0.55 0.00 0.00 41.25 38.54 1j3u s ASN 455 CO 0.00 -1.08 1.62 1.55 -2.79 0.00 0.00 177.10 176.40 1j3u h PRO 456 N 9.49 0.05 0.29 0.43 0.13 -1.91 -0.44 132.00 140.04 1j3u h PRO 456 Ca -0.28 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1j3u h PRO 456 Cb 1.11 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1j3u h PRO 456 CO 1.02 0.03 -0.14 -0.92 -0.23 0.00 0.00 178.00 177.76 1j3u h TYR 457 N 0.05 -0.37 -0.00 1.56 5.03 -1.93 -2.92 116.97 118.40 1j3u h TYR 457 Ca 0.38 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.68 1j3u h TYR 457 Cb 0.63 0.12 -0.00 0.00 1.55 0.00 0.00 36.73 39.03 1j3u h TYR 457 CO -0.49 -0.05 0.05 1.49 -1.32 0.00 0.00 178.16 177.84 1j3u h GLU 458 N -0.98 0.00 0.00 1.82 4.81 -1.90 -0.79 114.58 117.54 1j3u h GLU 458 Ca -0.04 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 1j3u h GLU 458 Cb 0.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1j3u h GLU 458 CO 0.07 0.00 -0.84 1.98 -0.73 0.00 0.00 179.01 179.48 1j3u h MET 459 N 0.00 0.00 -0.44 1.92 4.05 -1.11 -3.34 114.93 116.01 1j3u h MET 459 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1j3u h MET 459 Cb 0.10 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 1j3u h MET 459 CO -0.00 0.17 0.00 0.44 0.23 0.00 0.00 176.91 177.75 1j3u n ILE 460 N -2.91 2.05 -4.04 1.77 -5.35 -0.32 -4.89 119.36 105.67 1j3u n ILE 460 Ca -0.02 -1.46 -0.11 0.00 -0.27 0.00 0.00 62.75 60.89 1j3u n ILE 460 Cb 0.66 -0.03 -0.11 0.00 -1.74 0.00 0.00 39.64 38.42 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 -2.25 0.53 0.45 4.28 3.76 -1.13 -4.95 115.29 115.97 1j3u s HIS 461 Ca 0.44 -0.57 -0.24 0.00 -0.15 0.00 0.00 55.06 54.53 1j3u s HIS 461 Cb 0.32 -0.33 -0.08 0.00 1.11 0.00 0.00 32.58 33.60 1j3u s HIS 461 CO 0.16 -0.14 1.29 -1.25 -0.85 0.00 0.00 174.74 173.94 1j3u s PRO 462 N -1.83 3.75 0.00 8.40 0.04 -1.26 -4.93 135.00 139.18 1j3u s PRO 462 Ca -0.10 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1j3u s PRO 462 Cb -0.08 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1j3u s PRO 462 CO -0.01 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.78 1j3u n GLY 463 N 0.63 0.62 0.84 0.56 0.00 -1.26 -5.12 105.19 101.45 1j3u n GLY 463 Ca 0.06 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 1j3u n GLY 463 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1j3u n ILE 464 N -0.17 0.00 1.24 -0.61 3.06 -1.26 -4.93 119.36 116.69 1j3u n ILE 464 Ca 0.00 -0.07 0.13 0.00 -2.50 0.00 0.00 62.75 60.31 1j3u n ILE 464 Cb 0.00 -0.72 0.37 0.00 0.54 0.00 0.00 39.64 39.83 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 -3.57 3.09 0.26 1.51 0.00 -1.26 -5.18 120.51 115.36 1j3u n ALA 465 Ca -0.05 -0.41 0.03 0.00 0.00 0.00 0.00 53.44 53.02 1j3u n ALA 465 Cb 0.15 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.49 1j3u n ALA 465 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91