NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.0065 8.3149 121.7767 56.0350 33.9161 175.6933 3 Y 4.6041 7.7805 116.9160 55.9910 38.7597 174.2636 4 K 4.2910 9.1270 127.3590 58.6669 34.4920 176.6603 5 A 5.3592 8.0427 119.9820 50.5473 23.1025 175.1236 6 V 4.9012 8.9025 119.8260 61.1169 34.8274 174.2596 7 L 5.2210 9.3970 128.4662 53.2177 44.0296 175.6744 8 V 5.0325 8.5812 122.3354 61.2167 35.4715 175.0100 9 D 5.0409 8.8493 126.9916 53.9918 42.3523 174.7828 10 F 4.8228 9.0468 119.2754 59.5966 42.0579 175.0834 11 G 3.9186 8.1378 108.4915 46.8695 0.0000 173.3965 12 N 4.7315 8.6534 117.0289 53.2804 37.0365 174.5000 13 T 4.2685 7.3382 111.4273 64.4186 71.2867 175.4749 14 L 4.3327 8.5312 120.2859 56.3169 42.8827 177.1785 15 V 3.8175 6.9932 117.3371 60.5698 34.6430 175.0643 16 G 3.2314 6.5638 114.1672 44.3514 0.0000 172.2148 17 F 5.9615 8.4605 117.3529 54.5335 43.0268 174.4795 18 K 4.6266 8.6031 119.9417 54.2705 36.1044 173.8849 19 P 4.1377 0.0000 0.0000 62.3267 31.9991 176.7008 20 V 3.7704 8.6102 120.7987 65.4125 32.1960 177.9432 21 F 4.3828 7.6000 119.9961 56.3973 35.4519 176.1857 22 Y 4.2468 7.0626 120.0528 60.1148 38.4716 178.0399 23 E 4.1390 7.3123 120.7239 58.6407 29.8135 178.5236 24 K 3.9791 7.9439 119.5185 59.3835 32.4117 178.7187 25 V 3.6346 7.8775 118.5965 66.2188 31.4274 177.1472 26 Y 4.1182 8.5645 119.6180 61.0524 38.5561 178.1454 27 Q 3.8709 8.3824 120.2477 58.8459 29.2370 178.2963 28 V 3.5860 7.9259 119.6115 65.7170 31.5307 177.9286 29 L 4.0719 7.8815 118.7788 57.7204 41.4758 179.2715 30 K 3.8496 7.5935 120.6417 59.1823 31.8841 178.3192 31 D 4.4529 8.0395 117.6728 57.1133 40.6728 177.6241 32 N 4.9166 7.7755 114.6884 52.8620 38.9377 175.6407 33 G 3.5444 8.2223 107.8191 45.9662 0.0000 174.0373 34 Y 4.3143 8.2013 118.6179 55.7711 38.5075 174.3148 35 D 4.7442 8.4355 124.7709 52.8009 40.8108 175.4503 36 L 4.8560 8.1040 126.1720 52.6169 44.9148 176.7288 37 D 4.8792 8.3803 121.7835 52.4152 41.0332 177.0920 38 L 3.7906 8.0481 118.0024 57.4354 41.2916 179.6323 39 R 3.3505 7.2092 117.5811 59.1520 29.8451 179.1733 40 K 3.8917 7.9319 117.7136 59.0696 32.0439 179.6299 41 V 3.8103 7.5817 118.1240 66.2821 31.5845 178.0358 42 F 4.5783 8.1711 117.8635 60.3769 38.5327 177.5287 43 R 3.9548 7.7950 118.3260 59.6466 29.8864 178.5184 44 A 3.9634 7.7814 120.3624 55.2431 18.4019 179.0004 45 Y 4.2728 8.6780 118.0166 60.8528 38.6974 177.9785 46 A 4.2610 8.2378 121.0030 55.0879 18.5776 179.4776 47 K 4.1121 7.8301 116.1458 59.1288 32.9875 179.9300 48 A 4.3251 8.2876 122.5706 51.3244 16.9141 177.8250 *50 G 3.4774 7.9588 108.2677 46.2783 0.0000 174.0520 *52 I 3.8106 7.7474 117.8439 60.0345 37.4490 179.3996 53 N 4.5504 8.9978 128.4969 55.6179 36.5699 173.6852 *54 Y 3.1346 7.4068 115.9548 58.8073 36.4535 175.4986 *60 L 4.0298 7.9721 124.0818 53.7859 41.4450 175.2481 61 E 4.1630 7.0357 119.9196 54.6554 31.5383 176.5539 62 H 4.9302 7.9159 118.7938 54.2284 26.2228 174.8297 63 V 3.6138 7.4084 114.7107 61.1268 32.5292 175.0392 64 D 4.8843 8.3838 122.3122 52.9764 43.0329 175.8993 65 P 4.4429 0.0000 0.0000 65.5748 31.3539 178.9818 66 K 4.0223 8.2754 118.4685 59.4495 32.1479 178.5606 67 D 4.4269 8.6191 119.3445 57.4988 40.5747 178.8574 68 F 4.3100 8.0872 121.1540 61.2091 39.3638 177.2850 69 L 3.7321 8.0598 118.7092 57.7110 41.3258 178.5816 70 Y 4.0848 8.3413 119.8177 61.1405 38.5288 178.5518 71 I 3.5016 7.7543 118.8591 64.0799 37.2468 177.8356 72 L 4.1116 7.2107 118.1606 54.8674 41.5714 177.6545 73 G 3.7742 7.8067 106.8909 45.9724 0.0000 173.1348 74 I 4.4044 7.5211 119.4932 58.9171 39.3601 174.9212 75 Y 4.3941 8.4398 125.2150 56.5032 39.7710 175.0964 76 P 4.3510 0.0000 0.0000 63.8132 30.0767 177.7159 77 S 3.8596 7.7271 113.3269 59.2755 63.5129 175.8302 78 E 3.6915 8.2084 126.9693 58.7579 29.6705 179.6089 79 R 3.8865 7.9151 118.2603 59.3410 30.4458 177.7290 80 L 3.9371 8.0162 119.7504 58.5655 41.9671 179.0214 81 V 3.6164 7.9273 117.8238 65.7330 31.3944 177.9458 82 K 3.9333 7.6841 119.0578 59.7079 32.1515 178.8429 83 E 4.3221 8.5467 120.4613 58.6479 29.2765 179.4338 84 L 4.0505 8.1136 119.4018 57.5500 41.7289 179.3142 85 K 3.9340 8.1397 118.4627 59.7356 31.5908 179.1900 86 E 3.9565 8.2837 118.4166 59.1198 29.1709 178.5049 87 A 4.1463 7.7185 118.0311 51.8829 18.8021 176.5523 88 D 4.4016 8.2830 116.5309 54.9025 40.0915 175.6761 89 I 3.6919 7.7904 120.0464 63.3881 38.3087 177.0887 90 R 4.5515 7.9619 115.5447 57.7798 29.7636 175.2963 91 D 5.0074 8.5586 120.5336 53.3801 41.9333 176.0484 92 G 4.8336 8.8493 109.7080 43.4335 0.0000 171.1691 93 E 5.1148 9.2481 116.1122 54.6024 33.2819 174.5073 94 A 4.4360 8.7515 122.9261 50.8895 20.6127 176.5726 95 F 4.8755 7.7548 115.1533 54.8092 41.7580 173.4815 96 L 3.7974 7.7811 122.7343 54.0426 43.0061 175.9440 97 Y 4.2826 7.7661 123.5671 57.9347 38.4457 176.8894 98 D 4.4163 9.0505 122.9944 57.0702 41.2357 177.5168 99 D 5.0878 7.7799 114.9442 52.6829 40.6493 178.1281 100 T 3.8404 7.7764 117.7180 66.9136 68.3579 175.9857 101 L 3.8172 7.8983 120.0809 58.1324 41.5144 179.4882 102 E 3.9346 8.1304 117.7005 59.2658 29.4545 179.0997 103 F 4.2048 8.3480 120.6514 61.2053 39.4670 177.2690 104 L 3.5188 7.7211 118.4748 57.6403 41.2928 178.7859 105 E 4.0809 7.8009 119.5340 59.4826 29.2255 179.2491 106 G 3.4964 7.7163 104.2208 47.6992 0.0000 175.4370 107 L 4.0210 7.5239 121.6573 57.2429 41.4899 179.4028 108 K 4.0890 8.0446 119.8661 59.4757 31.9770 178.1256 109 S 4.6105 8.1332 111.0961 59.0055 63.3504 174.0713 110 N 4.7760 8.0540 119.3152 53.3281 38.6769 175.3205 111 G 3.8287 8.1420 105.6932 45.3425 0.0000 173.3023 112 Y 4.5558 7.5367 116.2063 56.7352 39.3024 175.5221 113 K 4.6117 8.8234 122.5493 55.9572 34.2221 175.8391 114 L 5.4759 9.1729 122.0374 53.0069 45.5198 175.4212 115 A 5.4008 8.9435 124.4704 50.1144 22.3740 174.4957 116 L 4.7652 8.5565 123.3981 53.3317 44.0681 175.3284 117 V 4.9781 8.4779 125.9304 61.4366 33.8594 174.1748 118 S 4.2725 8.5610 120.9127 59.4467 65.8189 174.3038 119 N 4.1796 9.1143 122.6592 54.8191 36.9279 178.5982 120 A 4.2719 8.8364 130.0675 52.4485 16.9269 177.8432 121 S 3.9920 8.2955 118.9448 60.8819 63.2367 174.7879 122 P 4.1663 0.0000 0.0000 65.5829 31.0605 178.0335 123 R 3.8610 7.9620 118.7721 58.9803 29.8888 178.4413 124 V 3.3685 7.7485 117.7872 65.5310 31.3136 178.0604 125 K 3.8380 8.6396 118.7030 59.8307 31.9458 178.9966 126 T 3.8546 7.8069 115.8736 67.0827 68.3748 176.3970 127 L 3.8833 7.7160 119.8221 57.4297 41.6782 179.1097 128 L 4.1853 8.3474 119.5458 58.0730 41.7091 179.2833 129 E 3.9015 8.4795 119.0342 59.1532 29.4470 178.4557 130 K 3.7258 8.2266 118.5749 59.4710 32.3026 177.8575 131 F 4.8521 8.1321 114.3334 56.4242 39.8680 174.8622 132 D 4.4553 7.8993 116.8045 55.7565 39.7951 174.4334 133 L 4.9113 8.4584 119.7151 55.9065 43.0200 178.1078 134 K 4.0983 8.4092 119.9079 59.7753 31.7550 178.3485 135 K 3.9235 8.0580 116.6973 59.8871 32.2498 177.7170 136 Y 4.2728 7.6480 116.4596 58.1065 38.1133 175.1133 137 F 4.9797 7.5034 119.3811 56.1035 40.1207 175.7831 138 D 4.7547 9.0456 125.7763 56.5281 41.3408 176.4751 139 A 4.7479 8.0190 118.8867 50.6018 22.8683 175.0087 140 L 4.7999 8.6010 120.5572 53.2806 44.0314 176.0005 141 A 4.5580 9.3134 133.2197 50.9398 22.0371 174.8246 *153 P 4.4481 0.0000 0.0000 62.3205 32.2536 172.3211 154 K 4.6810 8.2287 116.8430 56.1169 34.2119 177.9365 155 I 3.8695 7.9409 117.8966 63.3114 37.5852 176.7743 156 F 4.0795 8.5431 121.5912 61.9866 39.1094 177.1213 157 G 3.7363 8.1469 102.9083 46.7831 0.0000 175.5686 158 F 4.0366 8.2359 122.7513 61.2173 39.5050 176.5901 159 A 4.0222 8.1525 120.4631 55.1987 18.1769 179.2301 160 L 3.7344 7.7428 118.3834 58.2058 41.9081 178.9202 161 A 4.0297 7.6284 119.1418 55.0781 18.3837 178.9519 162 K 3.7754 7.6235 116.7503 60.0609 32.3585 179.0368 163 V 3.8423 7.8848 110.4592 61.4350 31.8084 177.4913 164 G 3.9086 8.8282 103.5500 45.5517 0.0000 171.6365 165 Y 4.9940 6.9270 115.2613 54.2819 41.3494 172.9315 166 P 4.9091 0.0000 0.0000 63.1222 32.6513 175.3590 167 A 5.5227 9.3147 123.3894 50.3193 23.2539 174.8282 168 V 4.7229 8.6106 118.6608 61.3592 34.4317 173.9029 169 H 5.2265 9.2975 128.2291 54.6934 31.8261 173.0338 170 V 4.5918 8.9967 127.6794 61.6692 33.0376 174.9605 171 G 4.8534 8.9318 113.3645 46.3541 0.0000 173.1436 172 D 5.6254 9.2711 120.5528 52.7813 40.8705 177.3834 173 I 5.0527 6.6813 134.6951 61.9463 36.9832 178.7996 *174 Y 4.5818 7.1953 120.1294 55.5313 41.5243 180.6022 175 E 3.7519 8.7537 117.4372 57.4815 27.1245 176.3988 176 L 4.7257 8.9863 121.3464 53.7243 45.3430 175.6441 177 D 4.7046 8.6029 123.1523 53.1238 42.7841 175.5474 178 Y 4.8583 7.2497 116.6007 56.6390 39.2059 175.2016 179 I 3.8978 7.6356 121.9586 60.1892 37.8778 175.3871 180 G 3.1714 7.8090 114.1741 44.2460 0.0000 170.5605 181 A 4.2502 6.7514 121.9157 53.4491 20.0295 178.5433 182 K 4.2356 7.8911 118.3062 57.7337 33.2788 177.7796 183 R 4.5322 7.3751 115.4350 54.7148 33.8298 174.0490 184 S 4.1933 8.7098 116.1720 59.3906 62.8560 173.6167 185 Y 4.7540 8.5623 123.9012 58.8418 38.7334 175.1908 186 V 5.0078 7.8770 119.9907 61.8569 34.5857 173.5996 187 D 5.0866 9.4587 129.2021 52.4616 42.6058 174.4707 188 P 5.1907 0.0000 0.0000 62.1703 33.6122 175.1237 189 I 4.4921 8.9681 121.7978 59.3974 40.7166 174.3693 190 L 4.5153 8.4682 129.3123 54.2702 43.3767 174.6974 191 L 4.7598 9.0590 129.8651 53.7512 43.5921 174.6249 192 D 5.3242 8.9047 126.4871 52.4731 41.5398 176.0878 193 R 4.0487 8.1887 122.6155 57.3103 30.5229 177.3118 194 Y 4.7867 7.7160 113.4691 57.0466 38.5309 174.9480 195 D 4.5004 8.0933 116.6499 55.4898 39.4469 173.6380 196 F 4.5292 9.0888 119.7673 58.8078 41.3074 174.8848 197 Y 4.7586 8.1941 117.9413 56.2287 37.6308 174.8297 198 P 4.3486 0.0000 0.0000 65.3935 32.2354 177.7293 199 D 4.5916 8.0496 116.7196 54.2314 41.0062 175.6880 200 V 4.1704 7.6118 120.1542 61.0859 32.4618 175.0771 201 R 4.4301 8.4030 126.7410 55.5363 32.2046 175.1862 202 D 4.7540 8.7424 118.5287 53.8236 40.1207 174.3579 203 R 4.3256 7.5280 113.5251 56.6951 30.5296 175.8718 204 V 4.5786 8.3489 111.8197 59.6006 34.2414 176.7507 205 K 4.4302 9.7695 120.2209 56.3398 33.6523 175.2963 206 N 4.4736 7.2349 116.6945 51.3085 41.0393 174.3117 207 L 3.7818 8.5503 119.0450 56.1220 41.5931 179.6450 208 R 3.9219 7.7404 118.5427 59.3490 30.0770 178.2709 209 E 4.0629 8.1606 117.4526 59.5315 29.4026 179.1682 210 A 3.9312 7.9284 120.5334 55.2160 18.4327 179.4656 211 L 4.0077 8.3740 118.9977 58.4186 42.0557 179.2742 212 Q 4.0242 8.0964 118.1961 58.6268 28.4137 178.4757 213 K 3.9019 8.1722 120.1603 59.5667 32.3364 178.3882 214 I 3.7452 7.7336 119.0909 64.6845 37.0898 177.9655 215 E 4.2515 7.9769 118.1107 58.9037 29.4950 179.9688 216 E 4.1309 8.2245 120.7055 55.6056 29.8168 176.3011 *218 N 4.6415 8.2441 120.1747 52.8344 37.7906 173.7904 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 2 K 8.31 4.01 0.00 1.62 1.76 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.60 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.43 1.17 7.81 3 Y 7.78 4.60 0.00 3.29 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 4 K 9.13 4.29 0.00 1.76 1.81 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.69 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.32 7.81 5 A 8.04 5.36 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.90 4.90 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 1.05 0.00 0.00 0.66 0.00 0.00 7 L 9.40 5.22 0.00 1.46 1.48 0.85 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.58 5.03 2.35 0.00 0.00 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 1.19 0.00 0.00 9 D 8.85 5.04 0.00 2.76 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 10 F 9.05 4.82 0.00 3.05 2.97 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 11 G 8.14 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.65 4.73 0.00 3.03 3.04 0.00 0.00 6.81 7.69 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 13 T 7.34 4.27 4.46 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 1.17 0.00 0.00 14 L 8.53 4.33 0.00 1.79 1.62 1.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 15 V 6.99 3.82 0.67 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 0.18 0.00 0.00 0.51 0.00 0.00 16 G 6.56 3.23 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 17 F 8.46 5.96 0.00 3.05 3.15 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 18 K 8.60 4.63 0.00 1.11 0.74 0.00 0.61 0.00 0.00 0.69 0.00 0.00 2.65 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.09 7.81 19 P 0.00 4.14 0.00 2.03 1.59 0.00 3.67 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.46 0.00 20 V 8.61 3.77 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 0.16 0.00 0.00 0.87 0.00 0.00 21 F 7.60 4.38 0.00 3.22 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 22 Y 7.06 4.25 0.00 3.43 3.44 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 23 E 7.31 4.14 0.00 1.92 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 2.35 2.46 0.00 24 K 7.94 3.98 0.00 1.93 2.04 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.55 7.81 25 V 7.88 3.63 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 0.99 0.00 0.00 0.95 0.00 0.00 26 Y 8.56 4.12 0.00 3.23 3.23 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 27 Q 8.38 3.87 0.00 2.44 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 28 V 7.93 3.59 2.26 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 1.02 0.00 0.00 1.07 0.00 0.00 29 L 7.88 4.07 0.00 1.89 1.91 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.59 3.85 0.00 1.36 1.65 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.24 7.81 31 D 8.04 4.45 0.00 2.81 2.74 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 0.00 0.00 0.00 32 N 7.78 4.92 0.00 2.93 3.00 0.00 0.00 7.11 6.93 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 33 G 8.22 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 0.00 0.00 0.00 34 Y 8.20 4.31 0.00 3.11 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 35 D 8.44 4.74 0.00 2.61 2.62 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 36 L 8.10 4.86 0.00 1.71 1.57 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.38 4.88 0.00 2.87 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0.00 119 N 9.11 4.18 0.00 2.75 2.56 0.00 0.00 6.88 7.35 0.00 0.00 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 A 8.84 4.27 1.24 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 0.00 0.00 121 S 8.30 3.99 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 0.00 122 P 0.00 4.17 0.00 2.25 2.32 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 123 R 7.96 3.86 0.00 1.87 2.08 0.00 3.21 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 124 V 7.75 3.37 1.83 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 0.17 0.00 0.00 0.71 0.00 0.00 125 K 8.64 3.84 0.00 2.05 1.81 0.00 1.88 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.43 7.81 126 T 7.81 3.85 4.41 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 1.17 0.00 0.00 127 L 7.72 3.88 0.00 2.11 2.01 1.43 0.58 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 0.00 128 L 8.35 4.19 0.00 2.02 1.81 1.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.48 3.90 0.00 2.21 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 2.29 2.35 0.00 130 K 8.23 3.73 0.00 1.58 1.49 0.00 1.60 0.00 0.00 1.14 0.00 0.00 2.63 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.72 1.25 7.81 131 F 8.13 4.85 0.00 3.16 2.99 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 0.00 0.00 0.00 132 D 7.90 4.46 0.00 2.90 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 0.00 133 L 8.46 4.91 0.00 2.07 2.19 1.25 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.41 4.10 0.00 1.96 1.91 0.00 1.69 0.00 0.00 1.96 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.69 7.81 135 K 8.06 3.92 0.00 1.73 1.79 0.00 1.22 0.00 0.00 1.48 0.00 0.00 3.27 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.83 0.52 7.81 136 Y 7.65 4.27 0.00 2.43 2.55 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 0.00 137 F 7.50 4.98 0.00 3.18 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 0.00 138 D 9.05 4.75 0.00 2.71 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 0.00 139 A 8.02 4.75 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.60 4.80 0.00 1.48 1.52 0.76 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 141 A 9.31 4.56 1.24 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 0.00 0.00 *153 P 0.00 4.45 0.00 2.13 1.89 0.00 3.69 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 1.84 1.59 0.00 154 K 8.23 4.68 0.00 1.78 1.80 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.47 7.81 155 I 7.94 3.87 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.17 0.94 0.00 0.00 156 F 8.54 4.08 0.00 3.19 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 0.00 157 G 8.15 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.24 4.04 0.00 3.20 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 0.00 159 A 8.15 4.02 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 0.00 160 L 7.74 3.73 0.00 1.38 1.71 0.97 1.00 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 0.00 161 A 7.63 4.03 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 0.00 162 K 7.62 3.78 0.00 1.59 1.98 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.44 7.81 163 V 7.88 3.84 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 0.84 0.00 0.00 1.03 0.00 0.00 164 G 8.83 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 Y 6.93 4.99 0.00 3.14 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 0.00 166 P 0.00 4.91 0.00 1.84 2.07 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.12 0.00 167 A 9.31 5.52 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 0.00 168 V 8.61 4.72 1.97 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 0.81 0.00 0.00 0.29 0.00 0.00 169 H 9.30 5.23 0.00 3.33 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 V 9.00 4.59 2.16 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 0.77 0.00 0.00 1.01 0.00 0.00 171 G 8.93 4.85 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 0.00 172 D 9.27 5.63 0.00 2.87 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 I 6.68 5.05 1.87 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 1.27 0.47 0.91 0.00 0.00 *174 Y 7.20 4.58 0.00 2.29 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 0.00 0.00 0.00 0.00 175 E 8.75 3.75 0.00 2.10 1.65 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 0.00 2.14 2.14 0.00 176 L 8.99 4.73 0.00 1.59 1.56 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 177 D 8.60 4.70 0.00 2.69 2.24 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 0.00 178 Y 7.25 4.86 0.00 2.91 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 0.00 179 I 7.64 3.90 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.33 0.87 0.00 0.00 180 G 7.81 3.17 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 0.00 0.00 0.00 0.00 181 A 6.75 4.25 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 0.00 182 K 7.89 4.24 0.00 1.82 1.91 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.50 7.81 183 R 7.38 4.53 0.00 1.92 1.87 0.00 3.22 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 184 S 8.71 4.19 0.00 3.86 3.84 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 0.00 185 Y 8.56 4.75 0.00 2.77 2.63 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 0.00 186 V 7.88 5.01 2.24 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 0.97 0.00 0.00 1.17 0.00 0.00 187 D 9.46 5.09 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.19 0.00 2.03 2.21 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 189 I 8.97 4.49 1.84 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 1.06 1.19 0.85 0.00 0.00 190 L 8.47 4.52 0.00 1.63 1.44 0.65 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 191 L 9.06 4.76 0.00 1.60 1.39 0.68 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 192 D 8.90 5.32 0.00 2.93 2.55 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 0.00 193 R 8.19 4.05 0.00 0.67 1.24 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.19 0.00 194 Y 7.72 4.79 0.00 3.00 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 0.00 195 D 8.09 4.50 0.00 2.80 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 0.00 196 F 9.09 4.53 0.00 2.86 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 0.00 197 Y 8.19 4.76 0.00 3.16 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 4.35 0.00 2.16 2.17 0.00 3.66 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 199 D 8.05 4.59 0.00 2.69 2.74 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 0.00 0.00 0.00 200 V 7.61 4.17 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 0.69 0.00 0.00 0.91 0.00 0.00 201 R 8.40 4.43 0.00 1.79 1.79 0.00 3.32 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 202 D 8.74 4.75 0.00 2.83 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 0.00 203 R 7.53 4.33 0.00 2.07 1.90 0.00 3.11 0.00 0.00 3.60 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 204 V 8.35 4.58 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 0.75 0.00 0.00 0.83 0.00 0.00 205 K 9.77 4.43 0.00 1.82 1.99 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.23 7.81 206 N 7.23 4.47 0.00 3.01 2.80 0.00 0.00 6.25 6.67 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 0.00 207 L 8.55 3.78 0.00 1.39 0.86 0.62 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 208 R 7.74 3.92 0.00 1.82 1.97 0.00 3.13 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 209 E 8.16 4.06 0.00 2.08 1.97 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 2.38 2.35 0.00 210 A 7.93 3.93 1.11 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 0.00 0.00 211 L 8.37 4.01 0.00 2.12 1.93 0.73 1.08 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 0.00 212 Q 8.10 4.02 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 213 K 8.17 3.90 0.00 1.71 1.94 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 214 I 7.73 3.75 1.91 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 1.40 0.79 0.65 0.00 0.00 215 E 7.98 4.25 0.00 2.12 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 0.00 2.42 2.44 0.00 216 E 8.22 4.13 0.00 1.97 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 0.00 2.36 2.35 0.00 *218 N 8.24 4.64 0.00 2.97 3.12 0.00 0.00 6.12 7.56 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 * Residues marked with a * may have inaccurate shift predictions.