NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4829 8.1633 118.1961 55.2686 32.7546 177.2433 2 D 4.2140 9.3557 118.0556 57.1549 40.7978 175.9616 3 K 4.1390 8.6367 119.8587 59.5659 32.5893 178.3944 4 I 3.5891 7.7660 119.3090 64.4708 37.3148 178.4192 5 K 4.1420 7.7362 118.0474 59.7087 31.7533 179.2071 6 Q 3.9824 8.7697 120.3398 58.8002 29.0130 177.5021 7 L 3.8467 7.9861 121.7435 58.4296 42.0478 179.1324 8 F 4.3385 8.0661 117.1577 60.3993 38.7519 177.3656 9 A 4.0806 8.0192 119.9156 55.5981 18.2505 179.2744 10 N 4.3149 8.5800 115.1413 56.7036 38.5837 177.2019 11 N 4.5112 8.3855 118.3150 56.7274 39.1316 176.3985 12 Y 4.1612 8.8249 121.7285 60.7869 38.8284 178.2709 13 S 4.2055 8.7698 115.6777 61.1759 63.0466 176.2536 14 W 4.0738 8.2517 130.8901 59.7563 30.4157 177.6967 15 A 3.6001 7.7916 120.3406 54.9310 18.0609 179.1742 16 Q 3.8756 7.3924 115.0479 58.6285 30.2323 178.2346 17 R 4.1074 7.9006 119.4703 54.8312 28.0119 174.5176 18 M 3.7052 6.8596 115.9652 55.8189 36.9608 173.5386 *34 T 4.1057 8.3306 107.1499 60.8024 69.8932 171.6851 35 P 4.8708 0.0000 0.0000 62.7437 32.1369 175.7173 36 H 4.8044 8.8420 115.5711 55.8013 30.3823 173.6913 37 Y 5.1472 7.8565 115.8454 56.1055 42.6225 173.6750 38 L 5.3143 9.0339 125.3171 53.6186 44.2915 174.7955 39 W 4.9705 9.3419 135.0000 56.0455 32.9376 174.5744 40 I 4.7295 8.5130 130.6172 60.0865 37.1808 175.2643 41 G 4.6963 8.8540 115.4686 44.2209 0.0000 168.9268 42 C 5.4152 8.4082 118.8777 57.8886 33.4773 175.0414 43 S 4.1779 8.9306 120.7315 61.3438 62.8773 176.5760 44 D 4.4802 8.3250 119.4967 56.7753 40.9904 177.2458 45 S 4.1273 7.4498 112.6926 58.8324 63.1474 174.3432 46 R 4.3551 8.4824 119.2749 55.9441 31.5674 176.1795 47 V 4.1787 7.4173 117.3475 59.8504 33.0059 173.8641 48 P 4.1669 0.0000 0.0000 62.3859 33.1178 176.9284 49 A 3.0830 8.0012 122.6880 55.2956 17.9022 180.0896 50 E 3.7003 7.7548 116.2373 59.0797 29.2710 179.4898 51 K 3.8612 7.4955 119.3451 59.1849 32.3853 178.8221 52 L 3.9778 7.4428 118.1358 58.2262 40.5394 178.0087 53 T 4.0768 7.7384 108.3018 61.3236 69.4707 173.9260 54 N 4.1277 7.3503 119.7757 54.4528 37.7969 173.7200 55 L 4.4933 7.2802 115.2952 53.2327 43.5458 176.8062 56 E 4.1934 8.3012 120.5424 55.0189 30.2740 174.6264 57 P 4.4709 0.0000 0.0000 64.0583 31.7756 176.7135 58 G 4.1570 9.0787 111.1699 45.5320 0.0000 175.3146 59 E 4.0885 8.4323 119.5891 58.7044 29.7741 176.5581 60 L 4.9368 7.8537 118.4402 53.4308 43.2073 176.0310 61 F 4.9983 9.2610 126.5700 56.5998 41.3544 174.1174 62 V 4.9239 8.1283 125.8825 61.2647 34.2151 173.9280 63 H 4.9449 9.4582 127.0105 54.3856 32.8047 172.2908 64 R 5.8422 8.7064 123.5565 53.4330 33.3956 174.0586 65 N 5.0957 8.4080 119.6427 49.4596 41.8505 172.9889 66 V 3.9329 8.2673 118.7379 63.0883 31.9706 175.4808 67 A 3.6865 8.9472 130.6269 53.3081 16.3670 177.0203 68 N 4.1780 8.0468 112.6435 55.5042 36.1157 173.3286 69 Q 4.7296 9.0028 116.1379 55.1823 31.0791 177.1264 70 V 4.2325 8.8560 122.3135 60.9054 31.3854 174.2603 71 I 3.7113 7.4564 124.7797 60.2507 38.0792 176.8566 72 H 4.1399 8.6224 122.2247 58.6888 28.6298 176.3908 73 T 4.4091 7.6609 105.9177 61.1374 69.0977 173.6605 74 D 4.6920 7.8880 122.4123 53.8325 41.7902 176.5079 75 F 3.8354 8.9161 130.0275 61.1010 39.6316 176.2489 76 N 4.3544 8.5019 116.3405 57.0343 38.9017 176.3195 77 C 3.9080 8.0834 119.8420 62.3220 31.7125 175.3806 78 L 3.9269 8.0107 120.6271 57.8078 41.0497 179.6773 79 S 4.0932 8.3529 115.4615 61.6424 62.7794 176.7948 80 V 3.7834 7.6616 120.4834 66.1410 31.1525 178.2497 81 V 3.6234 7.8335 117.8674 65.9493 31.3360 177.7753 82 Q 3.8884 8.1865 119.2976 59.3581 28.9147 177.4762 83 Y 4.1367 8.4217 120.6042 60.6444 38.8382 177.8051 84 A 3.6935 8.5264 121.9688 55.2217 18.4276 179.8732 85 V 3.4304 8.0788 116.7157 66.3339 31.5129 177.9486 86 D 4.3306 8.2103 117.3544 56.0341 40.1821 177.9308 87 V 3.9703 7.2104 116.8606 64.8627 32.4321 177.7855 88 L 3.7700 7.5435 117.1135 55.0881 41.3852 177.4691 89 K 4.1548 7.0969 116.4030 56.1655 30.1525 175.7833 90 I 3.7783 7.4826 118.7187 61.9521 37.5794 176.0780 91 E 4.7941 8.5436 121.0647 55.7450 31.6291 175.0209 92 H 5.4828 8.0056 117.2740 54.2217 33.2487 172.0324 93 I 4.9769 8.9039 124.3780 59.5504 39.8963 174.5419 94 I 4.4028 8.7823 128.2237 59.3734 39.5579 174.5275 95 I 4.3702 8.1361 128.3354 59.7250 39.0802 174.3548 96 C 4.9252 8.5167 126.9175 57.5776 34.3384 173.8174 97 G 4.3730 8.8899 115.3212 44.0850 0.0000 170.4986 98 H 5.5616 8.3680 114.2961 54.6258 31.6484 173.3074 99 T 4.1239 8.5723 109.1624 60.6953 70.4061 173.9160 100 N 3.9775 8.2592 117.0319 54.1955 36.2676 175.7759 101 C 4.4749 7.5524 117.6101 58.3446 32.9619 172.9384 102 G 3.7795 9.1182 116.6295 47.5194 0.0000 175.2917 103 G 3.6597 8.3481 107.5985 47.9067 0.0000 175.7715 104 I 3.7231 7.6253 120.8962 64.1678 37.4822 177.7054 105 H 4.2494 8.2845 116.8159 58.8908 28.4632 177.4158 106 A 4.0131 8.4833 122.5929 55.4757 17.9914 179.6176 107 A 4.0594 8.3089 117.9122 55.1108 18.4815 178.9547 108 M 4.2921 7.7595 115.2943 55.5914 32.6821 176.7610 109 A 4.3641 7.0239 121.8424 51.9032 19.1514 177.3577 110 D 4.6382 8.5489 118.7315 55.6801 41.4602 177.6353 111 K 4.1218 7.8288 119.2683 56.1903 32.6222 176.1354 112 D 4.6306 8.6327 123.5197 53.9977 40.9819 176.2302 113 L 4.6049 8.7824 123.2071 54.1559 43.7250 177.7482 114 G 4.0588 7.7957 106.1158 44.7145 0.0000 175.8952 115 L 3.9532 8.7681 122.0004 58.2923 41.8692 178.5587 116 I 3.8109 7.8923 117.8140 64.1889 37.7791 177.2651 117 N 4.4080 8.3201 117.5317 56.4830 38.1060 177.0144 118 N 4.4446 8.1696 117.1087 55.8907 38.4064 177.0103 119 W 4.3343 8.1616 129.5318 60.3344 31.0012 177.3903 120 L 4.0739 8.3576 117.4091 56.1086 41.2084 178.9455 121 L 4.0854 7.7061 119.5474 57.9079 41.3273 178.8585 122 H 4.1444 7.6042 116.1058 58.8346 28.4413 177.8780 123 I 3.8357 7.7089 121.6987 64.3514 36.8984 178.6352 124 R 4.2609 7.9871 118.5027 59.5154 30.0110 178.4664 125 D 4.4576 8.6012 119.0870 57.5730 40.8288 179.2309 126 I 3.8660 7.6220 120.2892 64.0530 36.9425 178.0333 127 W 4.4527 8.4516 128.3333 60.6876 30.6148 177.2937 128 F 4.0403 8.4465 119.3867 61.2860 38.8892 176.5471 129 K 4.1225 8.1441 117.8538 58.7885 32.2563 176.6933 130 H 4.9766 8.2575 116.3161 55.2257 29.6780 176.5995 131 G 3.5988 8.0195 108.7994 47.7991 0.0000 175.3280 132 H 4.1933 8.0169 119.4093 59.0472 29.8210 176.5652 133 L 4.0363 7.8752 121.5536 58.3918 42.1431 178.9145 134 L 4.2071 8.2649 118.7761 57.4527 41.3159 179.5353 135 G 3.8476 8.2933 105.2066 46.2361 0.0000 174.2732 136 K 4.5061 7.6189 119.2581 56.3429 32.9264 175.5224 137 L 4.9394 7.3153 120.0275 53.4803 44.2678 175.8875 138 S 4.3066 8.4814 117.9390 57.3437 63.2129 173.0311 139 P 4.2691 0.0000 0.0000 66.0698 30.8904 178.6870 140 E 4.0727 8.1416 113.8986 58.6700 29.7988 178.0416 141 K 4.3199 7.9765 117.8410 56.7182 32.4148 178.7173 142 R 3.8707 7.7759 119.9600 58.9131 29.9168 178.5158 143 A 3.7749 7.7834 120.1360 55.2910 18.5266 179.2760 144 D 4.2260 7.9160 116.8577 57.4783 40.8672 178.5697 145 M 3.9431 7.7313 118.8051 58.6539 32.3579 177.9841 146 L 3.9231 8.2224 120.8249 58.5201 41.9982 179.0557 147 T 3.9275 8.0849 116.0105 66.3964 68.3137 176.8643 148 K 3.9888 7.9700 120.0681 59.4326 32.2029 179.3507 149 I 3.6047 8.0142 120.4921 64.4359 37.0378 177.6637 150 N 4.2771 8.6093 118.0721 56.8656 38.6792 176.8316 151 V 3.5355 7.5350 118.8836 66.1678 31.6945 177.8610 152 A 4.1521 8.0330 120.3247 55.2712 18.1199 179.4267 153 E 4.1968 8.4044 117.2002 59.4918 29.4856 179.3996 154 Q 4.0141 8.2247 118.3729 58.5131 28.7207 178.5678 155 V 3.5706 7.8526 119.4563 66.2633 31.4889 177.3584 156 Y 4.2215 8.0448 119.1454 60.9906 38.2919 177.9544 157 N 4.2129 8.0838 116.4348 55.9979 38.8768 176.9209 158 L 4.1065 8.1857 122.3047 58.0960 42.0591 179.2939 159 G 3.7124 8.1884 104.1379 46.8651 0.0000 174.7506 160 R 4.2875 7.0032 118.5321 55.2249 31.0377 176.6990 161 T 4.0103 7.0485 111.0533 60.9693 69.8167 175.6353 162 S 4.0299 8.6453 119.0730 61.8637 62.7139 176.6163 163 I 3.5078 7.5936 122.6352 64.4737 36.8246 178.4182 164 V 3.1614 7.3702 118.1556 65.5896 31.2118 178.3438 165 K 3.9161 7.8121 118.4166 59.3425 31.8232 179.5805 166 S 4.0682 8.4748 115.7065 61.3439 62.6829 176.2031 167 A 3.9166 7.7518 123.4452 55.1948 18.1014 179.4627 168 W 4.4370 8.0841 116.9894 60.2438 29.0267 178.4467 169 E 4.0143 8.2528 117.6077 59.5911 29.1264 179.3926 170 R 4.3456 8.1595 112.5774 56.4701 29.8303 177.0449 171 G 3.9651 8.4720 108.2767 45.4320 0.0000 173.6129 172 Q 4.0325 7.9777 121.0221 55.1929 29.2734 175.6835 173 K 4.2349 8.5561 126.1233 56.0547 31.9751 175.1478 174 L 5.2576 8.4727 128.6099 53.5805 45.8396 174.5560 175 S 5.2094 9.3928 120.9182 56.6566 66.1428 172.7709 176 L 5.1831 9.1132 124.0051 53.6972 43.8497 175.2905 177 H 4.9244 9.0453 118.9109 54.0517 33.7651 173.0799 178 G 4.2037 8.6554 107.5144 44.6065 0.0000 171.2174 179 W 5.6998 9.0403 126.4363 54.3996 33.4025 174.9756 180 V 5.0053 8.7330 121.5535 61.1980 34.4389 174.0037 181 F 5.1793 9.1299 129.6190 56.6618 41.5227 173.8520 182 D 5.0224 8.0411 127.3668 52.5446 41.2545 177.1847 183 V 3.3293 8.3375 120.5644 64.7180 31.8121 178.3797 184 N 4.2730 7.8715 115.5254 56.0991 38.4002 175.4698 185 D 4.5230 7.3259 111.1722 51.9905 40.7660 176.4478 186 G 3.6997 7.8806 107.6078 45.6969 0.0000 173.3916 187 F 4.9166 7.7455 119.6160 55.9936 40.5765 175.4859 188 L 4.6383 8.7916 123.8989 54.7948 42.7339 176.5726 189 V 4.3079 8.9163 122.8991 60.7000 34.3265 174.2262 190 D 4.9718 8.7237 128.1960 54.9743 41.3871 175.8928 191 Q 4.2853 9.6863 124.3026 56.2827 29.1305 177.0719 192 G 3.8545 9.1223 108.3064 44.8019 0.0000 173.5710 193 V 4.1444 7.4741 119.7433 61.9947 32.0586 174.9781 194 M 5.1510 8.9270 127.7474 52.9367 34.9982 173.9315 195 A 4.8939 8.8383 127.7209 50.2872 22.0717 176.2065 196 T 4.6620 8.3357 109.4001 60.1306 70.1060 173.1750 197 S 2.7900 6.5170 116.2054 55.9406 66.2015 175.7317 198 R 4.0308 7.9106 119.1526 59.3434 29.7745 177.8155 199 E 3.9662 7.8995 119.1145 59.3268 29.8148 178.6243 200 T 3.8401 7.5067 109.8955 64.4685 68.6309 176.1554 201 L 4.0284 7.6674 122.8109 58.1534 42.1306 178.4976 202 E 4.1671 8.0799 117.8341 59.7755 29.4050 179.3591 203 I 3.7205 7.7405 119.3675 64.6833 37.2054 178.7872 204 S 4.1411 8.2479 114.8846 61.2329 62.9920 175.6214 205 Y 4.0519 8.2204 123.2038 60.7119 38.5537 178.4374 206 R 3.5170 8.0856 118.7255 59.2555 30.1286 178.6262 207 N 4.2255 8.3166 116.1570 56.3880 38.4899 177.3322 208 A 3.9125 8.0082 122.0667 55.2297 18.5288 179.7564 209 I 3.4819 7.3933 118.1098 64.3559 36.5968 178.5687 210 A 3.9483 7.9114 121.5830 55.0637 17.9501 179.9136 211 R 3.8463 8.0269 115.9814 59.5347 30.2929 179.1730 212 L 4.0926 8.0366 117.5303 57.6540 41.5901 179.3999 213 S 4.4179 7.7610 114.4504 59.7494 62.8607 174.5632 214 I 3.8846 7.0264 122.3486 60.9690 36.9074 175.1663 215 L 4.7051 8.2119 125.5588 52.8534 43.8268 176.2305 216 D 4.6527 8.2747 122.0820 53.3508 42.2720 176.9826 217 E 3.8488 8.8820 123.0200 59.2054 29.6182 178.0546 218 E 4.5535 8.0679 113.7471 56.1296 30.0973 175.9989 219 N 4.7540 8.2359 118.9336 54.2225 40.4903 175.1835 220 I 4.1485 7.0542 116.7036 60.4952 38.6165 175.3282 221 L 4.1268 8.0902 127.2635 55.5783 41.7902 176.5959 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 1 M 8.16 4.48 0.00 2.22 1.46 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 2 D 9.36 4.21 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.64 4.14 0.00 1.78 1.83 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.57 7.81 4 I 7.77 3.59 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.92 0.92 0.00 0.00 5 K 7.74 4.14 0.00 2.06 1.94 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.68 7.81 6 Q 8.77 3.98 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 7 L 7.99 3.85 0.00 1.71 1.58 0.76 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.07 4.34 0.00 3.16 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 9 A 8.02 4.08 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.58 4.31 0.00 3.04 2.92 0.00 0.00 6.77 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.39 4.51 0.00 2.81 3.12 0.00 0.00 6.81 6.84 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 12 Y 8.82 4.16 0.00 3.27 3.18 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 13 S 8.77 4.21 0.00 4.15 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 W 8.25 4.07 0.00 3.39 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.79 3.60 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 16 Q 7.39 3.88 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.45 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 17 R 7.90 4.11 0.00 1.69 2.06 0.00 3.37 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 18 M 6.86 3.71 0.00 1.51 1.44 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.72 0.00 *34 T 8.33 4.11 4.11 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 35 P 0.00 4.87 0.00 2.29 2.28 0.00 3.18 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 36 H 8.84 4.80 0.00 2.58 2.87 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.86 5.15 0.00 3.02 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.03 5.31 0.00 2.03 1.67 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 39 W 9.34 4.97 0.00 3.50 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 40 I 8.51 4.73 1.76 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.47 0.95 0.00 0.00 41 G 8.85 4.70 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 0.00 0.00 0.00 42 C 8.41 5.42 0.00 3.36 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.93 4.18 0.00 3.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.32 4.48 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.45 4.13 0.00 3.85 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.48 4.36 0.00 1.84 2.00 0.00 3.18 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 47 V 7.42 4.18 1.66 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 0.69 0.00 0.00 1.06 0.00 0.00 48 P 0.00 4.17 0.00 2.02 1.80 0.00 3.54 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 49 A 8.00 3.08 -0.46 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 50 E 7.75 3.70 0.00 1.92 1.93 0.00 0.00 0.00 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 2.32 0.00 51 K 7.50 3.86 0.00 1.70 1.77 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 52 L 7.44 3.98 0.00 1.63 1.42 0.97 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.74 4.08 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 1.12 0.00 0.00 54 N 7.35 4.13 0.00 2.78 2.88 0.00 0.00 7.16 8.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.28 4.49 0.00 1.52 1.57 0.94 0.84 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 56 E 8.30 4.19 0.00 2.17 1.86 0.00 0.00 0.00 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 2.30 0.00 57 P 0.00 4.47 0.00 2.12 2.03 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 58 G 9.08 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 0.00 0.00 0.00 0.00 59 E 8.43 4.09 0.00 2.29 2.31 0.00 0.00 0.00 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 2.57 0.00 60 L 7.85 4.94 0.00 1.52 1.62 0.54 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 61 F 9.26 5.00 0.00 3.15 3.22 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 0.00 62 V 8.13 4.92 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 0.96 0.00 0.00 0.93 0.00 0.00 63 H 9.46 4.94 0.00 3.11 3.08 0.00 5.77 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.71 5.84 0.00 1.63 1.76 0.00 3.29 0.00 0.00 3.92 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 65 N 8.41 5.10 0.00 2.74 2.85 0.00 0.00 6.39 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.27 3.93 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 0.88 0.00 0.00 0.82 0.00 0.00 67 A 8.95 3.69 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 68 N 8.05 4.18 0.00 2.96 3.13 0.00 0.00 6.05 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 9.00 4.73 0.00 2.27 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.11 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 70 V 8.86 4.23 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 0.74 0.00 0.00 0.90 0.00 0.00 71 I 7.46 3.71 1.53 0.00 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.33 0.55 0.00 0.00 72 H 8.62 4.14 0.00 3.09 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.66 4.41 4.27 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 0.00 0.00 0.00 1.22 0.00 0.00 74 D 7.89 4.69 0.00 2.94 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 F 8.92 3.84 0.00 3.26 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 76 N 8.50 4.35 0.00 2.89 3.22 0.00 0.00 6.86 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 77 C 8.08 3.91 0.00 3.18 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.93 0.00 1.75 1.48 0.79 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.35 4.09 0.00 4.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.66 3.78 2.17 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 1.10 0.00 0.00 0.94 0.00 0.00 81 V 7.83 3.62 2.18 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 0.93 0.00 0.00 0.93 0.00 0.00 82 Q 8.19 3.89 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 83 Y 8.42 4.14 0.00 3.16 3.25 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 0.00 84 A 8.53 3.69 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 3.43 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 0.92 0.00 0.00 0.85 0.00 0.00 86 D 8.21 4.33 0.00 2.75 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 87 V 7.21 3.97 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.95 0.00 0.00 88 L 7.54 3.77 0.00 1.47 1.36 -0.31 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.10 4.15 0.00 2.01 1.82 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.43 7.81 90 I 7.48 3.78 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.33 1.02 0.00 0.00 91 E 8.54 4.79 0.00 1.79 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.24 0.00 92 H 8.01 5.48 0.00 3.20 3.40 0.00 5.57 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.90 4.98 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.04 0.95 0.00 0.00 94 I 8.78 4.40 1.19 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.67 -0.82 0.00 0.00 95 I 8.14 4.37 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.61 0.82 0.00 0.00 96 C 8.52 4.93 0.00 1.81 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.89 4.37 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 0.00 98 H 8.37 5.56 0.00 3.47 3.52 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.57 4.12 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 1.26 0.00 0.00 100 N 8.26 3.98 0.00 2.85 2.92 0.00 0.00 6.85 7.66 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 0.00 101 C 7.55 4.47 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 9.12 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.35 3.66 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 0.00 0.00 0.00 104 I 7.63 3.72 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.80 0.81 0.00 0.00 105 H 8.28 4.25 0.00 3.29 3.32 0.00 5.65 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 0.00 106 A 8.48 4.01 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 0.00 107 A 8.31 4.06 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 0.00 108 M 7.76 4.29 0.00 1.62 2.05 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 1.62 0.00 109 A 7.02 4.36 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.55 4.64 0.00 2.74 2.78 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 0.00 0.00 0.00 111 K 7.83 4.12 0.00 1.76 1.77 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.55 7.81 112 D 8.63 4.63 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.60 0.00 1.82 1.70 0.96 0.95 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 0.00 114 G 7.80 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 0.00 0.00 0.00 0.00 115 L 8.77 3.95 0.00 1.78 1.70 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.89 3.81 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.40 0.96 0.00 0.00 117 N 8.32 4.41 0.00 3.14 2.91 0.00 0.00 6.90 6.87 0.00 0.00 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 N 8.17 4.44 0.00 2.92 2.95 0.00 0.00 7.00 7.30 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 0.00 119 W 8.16 4.33 0.00 3.44 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.36 4.07 0.00 1.96 1.79 1.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.71 4.09 0.00 1.77 1.64 0.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 122 H 7.60 4.14 0.00 2.94 3.19 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.71 3.84 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.04 0.97 0.00 0.00 124 R 7.99 4.26 0.00 2.08 2.08 0.00 3.43 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 125 D 8.60 4.46 0.00 2.87 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 0.00 126 I 7.62 3.87 2.23 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.27 1.06 0.00 0.00 127 W 8.45 4.45 0.00 3.28 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.45 4.04 0.00 2.93 3.19 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 0.00 129 K 8.14 4.12 0.00 2.07 2.09 0.00 1.89 0.00 0.00 1.81 0.00 0.00 3.28 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.51 7.81 130 H 8.26 4.98 0.00 3.31 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.02 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.02 4.19 0.00 3.03 3.32 0.00 5.94 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 0.00 133 L 7.88 4.04 0.00 1.75 1.89 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.26 4.21 0.00 1.95 1.85 1.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.29 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.62 4.51 0.00 1.94 1.99 0.00 1.22 0.00 0.00 1.51 0.00 0.00 2.41 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.30 7.81 137 L 7.32 4.94 0.00 1.82 1.67 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.48 4.31 0.00 3.99 3.70 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 0.00 139 P 0.00 4.27 0.00 2.20 2.13 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 140 E 8.14 4.07 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 141 K 7.98 4.32 0.00 1.80 1.84 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.45 7.81 142 R 7.78 3.87 0.00 1.66 1.79 0.00 3.32 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 143 A 7.78 3.77 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 7.92 4.23 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 M 7.73 3.94 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 146 L 8.22 3.92 0.00 1.58 1.61 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.08 3.93 4.37 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 1.23 0.00 0.00 148 K 7.97 3.99 0.00 1.99 1.92 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.61 7.81 149 I 8.01 3.60 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.01 0.81 0.00 0.00 150 N 8.61 4.28 0.00 2.89 3.03 0.00 0.00 6.91 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 7.53 3.54 2.28 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 0.98 0.00 0.00 1.06 0.00 0.00 152 A 8.03 4.15 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.40 4.20 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 154 Q 8.22 4.01 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.75 2.73 0.00 155 V 7.85 3.57 2.34 0.00 0.00 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 0.98 0.00 0.00 156 Y 8.04 4.22 0.00 2.97 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.08 4.21 0.00 2.89 2.90 0.00 0.00 7.02 7.39 0.00 0.00 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 L 8.19 4.11 0.00 1.87 1.87 0.84 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 159 G 8.19 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 7.00 4.29 0.00 1.47 1.74 0.00 2.21 0.00 0.00 2.62 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.22 0.00 161 T 7.05 4.01 4.11 0.00 0.00 0.00 0.00 0.00 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 0.00 162 S 8.65 4.03 0.00 3.99 4.10 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 0.00 163 I 7.59 3.51 1.73 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.51 0.79 0.00 0.00 164 V 7.37 3.16 1.62 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 -0.31 0.00 0.00 0.67 0.00 0.00 165 K 7.81 3.92 0.00 1.84 1.83 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.59 7.81 166 S 8.47 4.07 0.00 3.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.75 3.92 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 0.00 168 W 8.08 4.44 0.00 3.47 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.01 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 170 R 8.16 4.35 0.00 1.93 2.08 0.00 3.04 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.66 0.00 171 G 8.47 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 0.00 0.00 0.00 172 Q 7.98 4.03 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 173 K 8.56 4.23 0.00 1.85 1.71 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.45 7.81 174 L 8.47 5.26 0.00 1.80 1.67 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 175 S 9.39 5.21 0.00 3.90 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 0.00 176 L 9.11 5.18 0.00 1.92 1.67 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 177 H 9.05 4.92 0.00 2.34 2.70 0.00 5.56 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 0.00 178 G 8.66 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 0.00 0.00 0.00 0.00 179 W 9.04 5.70 0.00 3.26 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 8.73 5.01 2.17 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 1.05 0.00 0.00 1.00 0.00 0.00 181 F 9.13 5.18 0.00 3.29 3.07 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 0.00 0.00 0.00 0.00 182 D 8.04 5.02 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 V 8.34 3.33 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 184 N 7.87 4.27 0.00 2.77 2.89 0.00 0.00 6.89 8.04 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 0.00 185 D 7.33 4.52 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 G 7.88 3.70 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 0.00 0.00 0.00 187 F 7.75 4.92 0.00 3.18 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.79 4.64 0.00 1.44 1.49 1.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 189 V 8.92 4.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 190 D 8.72 4.97 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 Q 9.69 4.29 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.25 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 192 G 9.12 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 7.47 4.14 2.19 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 0.98 0.00 0.00 1.08 0.00 0.00 194 M 8.93 5.15 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 195 A 8.84 4.89 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 0.00 196 T 8.34 4.66 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 1.19 0.00 0.00 197 S 6.52 2.79 0.00 3.57 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 R 7.91 4.03 0.00 2.20 2.01 0.00 3.47 0.00 0.00 3.43 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 199 E 7.90 3.97 0.00 2.03 1.85 0.00 0.00 0.00 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 2.36 0.00 200 T 7.51 3.84 4.14 0.00 0.00 0.00 0.00 0.00 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 0.00 201 L 7.67 4.03 0.00 2.10 2.05 1.17 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 202 E 8.08 4.17 0.00 2.29 2.08 0.00 0.00 0.00 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 2.61 0.00 203 I 7.74 3.72 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 0.91 0.00 0.00 204 S 8.25 4.14 0.00 4.29 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 Y 8.22 4.05 0.00 3.03 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 R 8.09 3.52 0.00 1.97 1.88 0.00 3.22 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 207 N 8.32 4.23 0.00 2.97 2.85 0.00 0.00 6.96 8.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 A 8.01 3.91 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 0.00 209 I 7.39 3.48 1.51 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.27 0.83 0.00 0.00 210 A 7.91 3.95 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 0.00 211 R 8.03 3.85 0.00 1.96 1.97 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 212 L 8.04 4.09 0.00 1.67 1.68 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 213 S 7.76 4.42 0.00 3.95 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 0.00 214 I 7.03 3.88 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.89 0.00 0.00 215 L 8.21 4.71 0.00 1.59 1.54 0.89 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 216 D 8.27 4.65 0.00 2.88 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 E 8.88 3.85 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 218 E 8.07 4.55 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 219 N 8.24 4.75 0.00 2.90 2.85 0.00 0.00 6.65 7.74 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 0.00 220 I 7.05 4.15 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.00 0.95 0.00 0.00 221 L 8.09 4.13 0.00 1.61 1.55 0.93 1.33 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 * Residues marked with a * may have inaccurate shift predictions.