NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 G 3.9782 8.2133 109.7401 45.1885 0.0000 176.2935 18 P 4.0980 0.0000 0.0000 63.9925 31.5281 176.0414 19 L 4.1760 8.5558 118.0794 55.8250 43.0192 175.9333 20 E 4.7185 7.6320 119.0160 56.1149 30.5135 176.6269 21 V 4.3734 8.6414 122.8073 61.3176 35.1291 173.6314 22 N 4.9057 8.5708 125.3292 51.5842 40.3308 173.6737 23 L 5.0403 9.0519 124.5767 52.7500 44.7004 175.2847 24 A 5.2677 8.5403 125.7936 50.3043 21.6112 175.1589 25 I 4.7419 8.8189 124.2065 59.7007 39.3056 175.0775 26 L 4.5190 9.4198 126.6935 51.1235 45.4789 175.6211 27 G 4.4222 7.6793 107.9724 43.7859 0.0000 172.8441 28 R 4.0441 8.3048 120.8983 56.1457 30.5305 175.9751 29 R 4.0918 8.4661 124.0040 58.1798 30.4349 176.8194 30 G 4.0069 9.0017 112.5130 45.2612 0.0000 174.1260 31 A 4.0870 7.6429 121.9622 53.6640 18.7498 178.5649 32 G 4.2315 8.3813 104.7345 45.8401 0.0000 176.0175 33 K 3.9340 8.4574 121.0773 59.4321 31.9767 179.1138 34 S 4.2257 8.2846 115.9650 60.7239 62.8828 176.3488 35 A 3.9375 7.9302 123.0801 55.1858 18.2214 179.5672 36 L 4.0482 8.1578 117.5182 58.1696 41.7196 179.8378 37 T 3.7481 7.9966 115.7339 66.6733 68.3250 176.9520 38 V 3.3879 7.7783 120.3616 65.4116 31.3708 177.9357 39 K 4.4895 8.0470 120.8490 59.0210 31.8756 178.3897 40 F 4.0818 7.8672 119.3477 61.4500 39.2153 176.7361 41 L 3.9356 7.7945 117.3668 56.6459 41.6427 178.3418 42 T 4.3066 7.9346 107.0258 60.1949 70.0298 175.0524 43 K 3.8241 8.0572 119.7083 56.7928 30.6033 175.4347 44 R 4.6522 7.7604 117.6413 54.1032 33.3429 174.4961 45 F 4.8298 8.8128 123.3352 57.4873 39.6317 175.0128 46 I 4.0805 7.9011 129.7099 59.4370 38.0032 175.7882 47 S 3.6290 7.9955 120.6769 59.1347 63.5310 173.9085 48 E 4.5124 7.8561 119.7900 54.5277 31.0358 174.7198 49 Y 4.3543 8.4295 124.7434 56.9821 41.4274 174.4079 50 D 4.2482 7.4567 127.3035 52.9665 39.5962 175.0174 51 P 4.4052 0.0000 0.0000 64.8967 31.4992 177.3908 52 N 4.6403 8.1284 113.7372 53.2259 39.1697 174.8272 53 L 4.1564 7.7116 121.5303 54.4973 42.3354 175.1479 54 E 5.1952 8.3302 126.9112 53.8814 31.8214 174.0918 55 D 4.4864 8.5351 123.9681 54.1134 45.1184 173.4779 56 T 5.0888 8.2393 118.1283 62.0823 70.4314 173.6472 57 Y 4.6804 9.5811 124.7598 56.4094 40.3745 174.8001 58 S 5.5680 8.7745 120.0592 56.9856 65.2352 173.5663 59 S 4.7467 9.2021 117.6952 57.2697 66.8123 172.4894 60 E 5.1750 8.7064 120.4805 55.1737 30.9934 175.1620 61 E 4.9255 9.3004 122.7415 54.9390 34.8164 174.4761 62 T 5.0506 8.4622 116.3914 61.9125 71.8028 174.0665 63 V 4.0355 8.3183 125.7806 61.9639 33.8865 175.1433 64 D 4.1523 9.6281 128.3994 55.9424 38.3054 173.7790 65 H 4.2091 8.2318 109.5642 56.4557 26.5475 174.9502 66 Q 4.6889 7.7555 118.6015 53.0148 31.3560 173.5029 67 P 4.8839 0.0000 0.0000 63.0624 32.5631 175.8389 68 V 4.4216 8.6621 120.7196 61.8954 35.1973 174.0266 69 H 5.0731 9.1681 126.2305 54.6965 28.9185 173.5096 70 L 4.9463 9.1159 126.5014 54.1472 44.0192 175.4642 71 R 5.1239 9.0021 124.0897 54.6623 33.6787 174.4677 72 V 4.8779 9.4182 125.6308 61.4397 33.7709 174.3161 73 M 4.7641 9.5769 130.0037 54.6662 33.0885 174.4128 74 D 5.1780 9.2452 128.5259 53.1769 42.7544 175.7680 75 T 4.5227 8.2745 116.9671 60.8037 71.2068 174.2920 76 A 4.8861 8.9763 124.9109 50.4299 19.2388 175.9089 77 D 4.7115 8.0382 120.8216 53.6782 42.2309 177.3972 78 L 4.0183 8.5021 121.6168 57.3352 41.9577 176.0935 *81 P 4.2956 0.0000 0.0000 62.5194 32.3087 175.6343 82 R 4.4883 8.2974 115.9470 55.5676 32.5070 173.3479 83 N 4.1093 8.7732 112.6301 54.2340 37.4562 175.6330 84 C 3.4320 7.9006 115.3764 62.1803 28.2447 175.0120 85 E 3.8636 7.9988 119.9162 58.8402 28.7309 178.9793 86 R 3.9025 7.3995 115.6840 58.8881 29.4910 177.4866 87 Y 4.7608 7.1597 116.7076 58.4865 39.0355 177.5670 88 L 4.3211 7.8049 120.0850 57.8185 41.7631 177.8661 89 N 4.8905 8.2668 112.4646 53.1565 38.7565 175.2041 90 W 4.5319 8.1112 127.7008 58.3544 32.9850 175.9244 91 A 3.7050 8.2114 120.0772 52.3535 18.1642 176.7857 92 H 4.7012 8.3363 117.9185 57.0334 29.9123 175.2135 93 A 4.6719 7.1316 117.9226 50.8513 22.6240 174.9237 94 F 5.3121 9.0359 117.8064 55.6473 42.8302 174.3552 95 L 4.9586 8.8905 123.0249 53.0563 44.0105 175.4247 96 V 4.6084 9.0708 124.5183 61.0644 33.4089 174.2732 97 V 4.9833 9.0207 128.4812 61.2675 34.1220 173.8870 98 Y 5.1150 8.9957 125.2146 55.3123 42.3548 173.7807 99 S 5.1692 8.6649 113.5948 56.5788 65.0347 176.1235 100 V 3.9399 8.9366 117.1896 63.7803 31.5191 177.1714 101 D 4.9610 8.0619 117.7103 53.0848 39.7537 176.7707 102 S 4.5967 8.2648 114.4302 56.0248 64.5633 173.8548 103 R 3.9944 9.8627 131.3011 59.6219 29.8688 178.2096 104 Q 4.0174 8.1332 117.2611 59.0716 28.8261 178.4990 105 S 4.2157 8.3662 114.1610 61.3825 62.2748 176.0307 106 F 3.8597 8.4265 123.2059 61.4121 38.6152 176.7795 107 D 4.2073 8.4148 118.7343 57.5973 40.4721 179.1233 108 S 4.1830 8.2987 115.7498 61.2723 62.7508 176.8528 109 S 4.2756 7.9690 117.6069 61.4794 62.7331 176.7842 110 S 3.8583 7.6341 118.0000 60.8380 62.6891 176.6455 111 S 4.0222 7.6183 117.2156 61.4177 62.6325 176.1481 112 Y 3.9763 7.6228 120.2922 60.7761 37.6055 178.3690 113 L 3.6405 7.6862 119.9472 57.3582 41.3631 179.4631 114 E 4.0834 7.7806 118.6336 59.2519 29.4738 178.7500 115 L 3.9064 7.8010 120.3285 58.4847 41.9966 179.0830 116 L 3.8655 8.0703 118.5377 57.5632 41.3820 179.4453 117 A 4.0426 8.1191 120.6141 55.1677 18.4371 179.4040 118 L 3.9317 8.2143 117.8852 58.4377 41.7325 179.3605 119 H 4.1447 8.3628 117.5656 59.1783 29.8879 176.9585 120 A 4.0833 8.5020 125.3106 55.8270 18.0029 180.4501 121 K 3.9711 8.1019 121.0159 60.0794 31.9057 180.7269 122 E 4.3257 8.5837 119.6328 58.8207 29.5172 178.7414 123 T 4.3116 8.1357 107.5212 60.3471 70.6506 173.8345 124 Q 3.3170 7.3676 121.9981 55.6302 25.9820 169.2638 *128 P 4.4070 0.0000 0.0000 62.1018 33.5695 175.1779 129 A 5.4281 8.6193 124.7805 50.1282 23.3437 174.3096 130 L 5.1759 8.8659 119.8253 52.8379 45.2515 175.5069 131 L 4.9136 9.3355 127.1950 54.3256 43.7880 175.1175 132 L 5.0421 9.4915 126.6529 52.9948 44.6002 175.9809 133 G 3.1612 8.8557 113.2142 44.7855 0.0000 172.6403 134 N 5.1001 9.0165 127.2044 51.7202 41.6587 174.2840 135 K 3.9734 8.3929 115.8448 56.6052 29.4676 178.2226 136 L 3.9377 8.0765 123.1748 58.0609 42.3407 178.4114 137 D 4.4170 8.1466 117.6398 56.0495 39.2733 177.1202 138 M 4.4533 8.1749 119.5415 55.0436 32.5673 177.9827 139 A 3.9524 8.0506 127.9566 55.8692 18.6794 181.6890 140 Q 4.0562 8.2872 115.7668 58.2038 28.3026 181.2545 *141 Y 4.6692 7.7191 113.7778 56.5108 37.4640 179.9152 142 R 4.1373 7.3316 118.7143 58.4129 30.4389 176.7162 143 Q 4.4847 9.0627 120.0925 55.7572 29.9848 175.9832 144 V 4.1811 7.2973 117.2289 60.2420 34.6076 175.4114 145 T 4.3476 8.5499 117.6550 60.7147 71.3002 175.8758 146 K 4.4079 8.8009 123.3084 59.2078 32.1999 178.7628 147 A 3.9896 7.9301 120.6261 55.1688 18.2744 179.3131 148 E 3.9970 8.2712 117.3438 59.2809 29.3750 179.7897 149 G 3.0060 7.6571 105.5262 47.4648 0.0000 175.9360 150 V 3.3259 7.3277 120.4744 65.5072 31.3042 178.0098 151 A 3.9438 7.7844 119.4901 54.9032 18.6449 179.0476 152 L 4.0419 8.2566 118.9482 58.3437 42.1802 178.9327 153 A 4.2340 8.1921 120.9601 55.3472 18.0748 179.7231 154 G 3.6157 8.2799 103.4474 48.1479 0.0000 175.8442 155 R 3.8883 7.7528 118.6939 57.8400 30.0789 177.3302 156 F 4.5924 7.8239 114.1405 56.2772 40.5260 175.5934 157 G 3.8819 8.4252 108.9350 46.4211 0.0000 173.3016 158 C 4.8042 7.9296 113.5466 56.0350 32.3416 173.0415 159 L 4.3994 8.4187 119.2093 54.6647 42.8009 176.0863 160 F 5.4667 8.0777 122.0274 56.7280 42.3141 173.8293 161 F 4.4535 8.2838 123.1990 55.6359 43.5026 173.3051 162 E 4.9260 8.3111 120.9948 55.2071 31.8940 175.3943 163 V 4.6045 8.6194 115.7256 60.6220 37.1345 173.3993 164 S 5.0740 8.7989 114.6779 57.1878 64.6912 173.9850 165 A 4.2753 8.8296 129.0422 53.8601 18.6280 177.5002 166 C 4.6773 7.5302 110.5820 57.6659 30.7301 174.8464 167 L 4.7479 7.5389 121.0603 55.4200 41.8333 176.9457 168 D 4.6271 8.5602 126.3700 54.1070 40.3292 177.1207 169 F 4.3563 8.8053 122.4455 61.3488 39.4095 177.5591 170 E 3.7274 8.1975 118.3225 59.4026 29.1928 178.7619 171 H 4.1578 9.3850 115.8167 58.3674 28.6073 178.0599 172 V 3.3672 7.1648 120.5785 65.7818 31.4927 177.3461 173 Q 4.0757 7.4303 119.3087 59.5581 28.6767 178.0353 174 H 3.9929 8.1028 118.9508 59.4927 29.9117 177.7105 175 V 2.9500 7.1801 113.9724 63.9339 31.1867 178.7420 176 F 3.4744 7.8322 117.2906 60.6506 38.5751 177.3575 177 H 4.2058 8.5028 116.2725 59.0356 28.5153 177.5247 178 E 3.8230 8.5601 121.0279 58.8494 29.2722 178.7990 179 A 3.8727 7.7923 121.1113 55.0372 18.4772 179.5859 180 V 3.4890 7.6658 116.7756 66.1979 31.5647 178.3277 181 R 3.8959 8.1972 117.8597 59.3472 29.7394 178.7028 182 E 3.9348 8.0048 116.4781 59.5773 29.6031 178.8974 183 A 4.0969 8.0401 119.4999 55.1817 18.5167 179.1742 184 R 4.2370 7.8254 115.9067 57.7360 30.5590 178.1843 185 R 4.2633 7.5406 125.3176 58.5998 29.6041 181.5079 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 17 G 8.21 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.10 0.00 2.11 2.10 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 19 L 8.56 4.18 0.00 1.43 1.46 0.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.63 4.72 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 21 V 8.64 4.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.89 0.00 0.00 22 N 8.57 4.91 0.00 1.45 1.42 0.00 0.00 6.94 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.05 5.04 0.00 1.59 1.49 0.88 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.54 5.27 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.82 4.74 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.78 0.83 0.00 0.00 26 L 9.42 4.52 0.00 0.89 0.33 0.57 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.68 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.30 4.04 0.00 1.98 1.94 0.00 3.26 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 29 R 8.47 4.09 0.00 1.87 1.88 0.00 3.33 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 30 G 9.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.64 4.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.38 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.46 3.93 0.00 1.86 1.94 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.52 7.81 34 S 8.28 4.23 0.00 3.92 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.93 3.94 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.16 4.05 0.00 1.99 1.92 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.00 3.75 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 38 V 7.78 3.39 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.28 0.00 0.00 39 K 8.05 4.49 0.00 2.11 2.01 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.52 7.81 40 F 7.87 4.08 0.00 2.20 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.79 3.94 0.00 1.55 1.63 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.93 4.31 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 43 K 8.06 3.82 0.00 1.63 1.55 0.00 1.22 0.00 0.00 0.99 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.81 7.81 44 R 7.76 4.65 0.00 1.78 1.77 0.00 3.27 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 45 F 8.81 4.83 0.00 3.01 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.90 4.08 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.00 0.96 0.00 0.00 47 S 8.00 3.63 0.00 3.86 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.86 4.51 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 49 Y 8.43 4.35 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.46 4.25 0.00 2.46 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.41 0.00 2.10 2.15 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 52 N 8.13 4.64 0.00 2.85 2.86 0.00 0.00 6.94 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.71 4.16 0.00 1.73 1.70 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.33 5.20 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 55 D 8.54 4.49 0.00 2.63 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.24 5.09 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 57 Y 9.58 4.68 0.00 2.87 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.77 5.57 0.00 3.78 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.20 4.75 0.00 3.86 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.71 5.18 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 61 E 9.30 4.93 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 62 T 8.46 5.05 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 63 V 8.32 4.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.73 0.00 0.00 64 D 9.63 4.15 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.23 4.21 0.00 3.33 3.43 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.76 4.69 0.00 2.22 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 67 P 0.00 4.88 0.00 2.05 2.06 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 68 V 8.66 4.42 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 69 H 9.17 5.07 0.00 3.14 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 9.12 4.95 0.00 1.86 1.79 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 71 R 9.00 5.12 0.00 2.12 2.18 0.00 3.44 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 72 V 9.42 4.88 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.10 0.00 0.00 73 M 9.58 4.76 0.00 2.09 1.41 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 74 D 9.25 5.18 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.27 4.52 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 76 A 8.98 4.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.04 4.71 0.00 2.87 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.50 4.02 0.00 1.65 1.75 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 *81 P 0.00 4.30 0.00 2.10 2.40 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.11 0.00 82 R 8.30 4.49 0.00 2.11 1.89 0.00 3.29 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.18 0.00 83 N 8.77 4.11 0.00 2.87 2.78 0.00 0.00 6.90 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 7.90 3.43 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.00 3.86 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 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0.00 0.00 0.00 111 S 7.62 4.02 0.00 3.90 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 7.62 3.98 0.00 3.05 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.69 3.64 0.00 0.53 0.13 0.67 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.78 4.08 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 115 L 7.80 3.91 0.00 1.69 1.89 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.07 3.87 0.00 1.75 1.57 0.54 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.12 4.04 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.21 3.93 0.00 1.88 1.77 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 119 H 8.36 4.14 0.00 3.20 3.48 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.50 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.10 3.97 0.00 1.86 1.74 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 122 E 8.58 4.33 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 123 T 8.14 4.31 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 124 Q 7.37 3.32 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.44 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 *128 P 0.00 4.41 0.00 2.13 2.06 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 129 A 8.62 5.43 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.87 5.18 0.00 1.61 1.67 0.94 0.61 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 139 A 8.05 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.29 4.06 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.36 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 *141 Y 7.72 4.67 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.33 4.14 0.00 1.82 1.93 0.00 3.10 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 143 Q 9.06 4.48 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 144 V 7.30 4.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.61 0.00 0.00 145 T 8.55 4.35 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 146 K 8.80 4.41 0.00 2.04 1.93 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 0.94 7.81 147 A 7.93 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.27 4.00 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 149 G 7.66 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 7.33 3.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.08 0.00 0.00 151 A 7.78 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.26 4.04 0.00 1.74 1.83 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.19 4.23 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.28 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 7.75 3.89 0.00 1.71 1.37 0.00 3.06 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 156 F 7.82 4.59 0.00 3.07 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 G 8.43 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 C 7.93 4.80 0.00 3.21 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.42 4.40 0.00 1.80 1.55 1.07 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 160 F 8.08 5.47 0.00 2.95 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 F 8.28 4.45 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.31 4.93 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 163 V 8.62 4.60 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.89 0.00 0.00 164 S 8.80 5.07 0.00 3.84 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.83 4.28 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 C 7.53 4.68 0.00 2.43 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 7.54 4.75 0.00 1.60 1.33 0.83 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 168 D 8.56 4.63 0.00 3.02 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 F 8.81 4.36 0.00 3.12 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 E 8.20 3.73 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 171 H 9.39 4.16 0.00 3.25 3.58 0.00 5.26 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.16 3.37 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.73 0.00 0.00 173 Q 7.43 4.08 0.00 1.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 1.96 2.24 0.00 174 H 8.10 3.99 0.00 3.19 3.35 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 7.18 2.95 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.70 0.00 0.00 176 F 7.83 3.47 0.00 2.49 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 H 8.50 4.21 0.00 3.29 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 E 8.56 3.82 0.00 1.75 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 179 A 7.79 3.87 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 7.67 3.49 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 181 R 8.20 3.90 0.00 2.06 1.97 0.00 3.42 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 182 E 8.00 3.93 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 183 A 8.04 4.10 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 R 7.83 4.24 0.00 1.98 1.96 0.00 3.14 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 185 R 7.54 4.26 0.00 1.92 1.70 0.00 3.30 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.