NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 3.9642 8.3393 109.7235 45.9590 0.0000 172.3432 10 S 4.4492 7.9668 111.8298 56.6196 65.6077 172.6278 11 I 4.7575 9.0768 124.2259 60.7090 39.0699 176.0676 12 T 4.9047 8.5510 122.8432 62.1326 70.2865 174.3669 13 L 4.5024 9.1816 128.7561 53.4085 42.3953 175.3474 14 R 4.9802 9.3107 120.6267 53.2902 31.5636 176.7561 15 G 4.1229 7.7131 109.7231 44.3390 0.0000 171.4536 16 S 4.7560 8.0852 116.1581 57.1925 65.4786 174.4577 17 A 3.9962 8.0417 121.1078 55.6251 18.1655 179.6119 18 E 3.8962 8.2642 114.9757 59.1046 29.5982 178.9733 19 I 3.7489 7.4681 117.8644 63.3791 38.5195 177.3573 20 V 3.8508 7.7641 118.8151 66.1690 31.1140 177.5764 21 A 4.0043 7.8206 119.7868 55.3599 18.2765 178.9450 22 E 3.4331 7.9791 116.7829 59.3690 29.4082 178.9848 23 F 4.3358 7.8698 117.5552 60.5751 38.9661 176.9350 24 F 4.0347 8.3992 120.4453 61.6775 39.1907 176.8918 25 S 3.8055 8.1656 112.6172 61.7238 62.0563 176.3663 26 F 4.7283 7.8135 120.1778 60.6613 38.5102 177.8023 27 G 3.6408 8.3451 105.6459 47.7229 0.0000 175.4635 28 I 3.6771 7.8689 122.2501 63.5213 37.7426 177.8674 29 N 4.3298 8.0607 116.9520 56.4365 38.5140 177.0565 30 S 4.2823 8.2519 114.4512 61.7196 62.4039 176.4053 31 I 3.4489 8.0889 122.5785 64.3610 36.8941 178.3968 32 L 4.2205 7.8969 119.7933 57.8159 41.4051 179.0461 33 Y 3.5911 8.2127 119.5939 60.6571 38.7202 177.6785 34 Q 3.7926 8.4870 117.6646 58.1476 29.1331 177.4345 35 R 4.3227 8.1010 115.8775 55.1485 30.4201 177.1362 36 G 3.9426 7.8679 105.3999 47.1864 0.0000 175.1430 37 I 3.7402 7.1887 119.4172 64.2881 37.6903 176.0883 38 Y 4.6625 7.9096 116.0023 55.7072 39.4991 174.0154 39 P 4.5345 0.0000 0.0000 62.8859 32.3598 176.7379 40 S 4.4147 8.7005 114.4146 61.6891 62.8714 176.7098 41 E 4.2923 8.1614 115.4731 58.3012 29.8366 177.9489 42 T 4.1118 8.2549 117.1300 66.2020 68.8195 174.0499 43 F 5.2576 8.2908 119.2416 56.7261 41.4439 174.7556 44 T 4.6535 8.6247 113.0876 61.2749 71.2337 172.3006 45 R 4.8691 8.3870 123.7264 55.4786 31.3978 176.6170 46 V 4.6508 8.7746 116.0946 59.4977 36.1917 174.2613 47 Q 5.4717 8.5588 121.3459 53.6687 30.7456 174.9271 48 K 4.3994 8.2655 122.2050 56.3924 35.3375 175.2609 49 Y 3.6050 8.8715 121.8988 59.1951 34.9837 170.7712 50 G 3.9241 8.4398 105.6647 45.7875 0.0000 173.8783 51 L 4.7824 7.5119 119.4036 53.2871 44.8274 175.3612 52 T 4.8773 8.2472 116.9213 62.3716 70.2283 174.4680 53 L 4.7205 8.8444 124.7036 52.8794 46.2170 175.4161 54 L 4.8193 8.3973 122.4446 54.1678 42.7576 176.5080 55 V 4.6322 8.4333 115.7785 59.8675 36.4684 174.7722 56 T 3.6320 8.1857 117.8482 61.3018 68.1709 174.4062 57 T 4.4302 7.7488 112.3261 60.3513 70.0755 173.8212 58 D 4.4343 7.6855 122.9610 54.0818 41.8036 176.2121 59 L 3.8525 8.6229 129.4107 58.5785 41.9931 177.9798 60 E 3.6602 8.3899 117.4479 59.7467 29.2235 178.8458 61 L 3.5421 7.5930 118.8405 58.2745 42.1856 179.0284 62 I 3.7847 7.3591 119.2242 64.4744 37.0728 178.0233 63 K 3.7275 7.7721 118.9449 60.1632 31.8997 178.3560 64 Y 3.7849 7.7377 119.0294 60.7084 38.8363 177.9306 65 L 3.8810 8.8772 121.1080 57.8059 41.6115 179.2654 66 N 4.1560 8.1215 117.1293 56.4793 39.0596 176.1807 67 N 4.1346 8.1238 118.5817 56.8676 38.8244 177.2115 68 V 3.7821 7.6604 120.3632 64.9139 31.4456 178.5751 69 V 3.6732 7.6835 118.8602 65.4105 31.2153 177.9757 70 E 3.7994 8.7857 119.0500 59.4189 29.4800 179.1188 71 Q 3.4576 7.7801 119.2012 58.3580 28.8716 177.9847 72 L 3.9776 7.1845 121.6487 57.6806 42.0366 178.3106 73 K 3.8035 8.2296 118.9255 59.8052 32.1912 177.7771 74 D 4.2854 7.5633 118.1023 56.8202 41.1364 178.0525 75 W 4.6581 7.6696 119.1740 59.9510 29.0569 178.5341 76 L 4.1958 8.1580 119.2423 57.3585 41.3321 178.2393 77 Y 4.4320 8.4322 116.9842 58.5094 37.5286 177.2621 78 K 4.1077 7.0988 117.0072 55.7546 34.0974 176.1276 79 C 3.8859 8.5705 115.5667 58.6583 38.0698 174.0224 80 S 4.1674 7.9258 116.0565 58.8406 63.6138 174.7823 81 V 4.7240 7.5647 120.0114 60.1150 32.8533 175.3031 82 Q 4.4170 9.3329 125.1230 57.6943 29.9386 176.0232 83 K 5.0155 7.8771 116.7558 55.3355 36.5047 174.5037 84 L 5.2988 8.7438 122.5428 53.3944 44.3051 175.6747 85 V 4.9651 8.7424 122.3595 61.2923 35.0155 174.0572 86 V 4.6768 9.1749 128.5558 61.8205 33.6239 174.7867 87 V 4.4517 8.3972 127.7299 60.6562 32.8484 172.8312 88 I 4.1146 8.1810 126.8525 60.9068 38.0019 175.0542 89 S 5.0786 8.8333 121.6925 55.8436 66.9622 173.1020 90 N 4.5730 8.7801 120.3262 54.3126 39.1876 175.7502 91 I 3.8963 8.4960 125.2453 63.2110 38.8200 176.5624 92 E 4.2527 8.3417 118.4470 58.6136 30.0671 177.0757 93 S 4.0946 7.9742 112.1624 61.7056 62.4792 173.8706 94 G 4.1846 8.2511 106.6943 45.5194 0.0000 174.1841 95 E 3.9461 8.0411 117.2169 56.1936 29.8654 176.8969 96 V 4.0809 8.2178 121.6300 63.1135 32.3250 175.0978 97 L 4.8208 8.0615 123.1911 55.2905 44.1840 176.8450 98 E 4.7857 7.4363 112.9501 55.7141 31.9133 175.5219 99 R 4.8439 8.5143 120.2782 54.2398 33.3001 175.3067 100 W 4.4350 9.2902 123.1212 55.0242 32.0908 174.1359 101 Q 4.9196 8.4345 126.5311 54.2111 31.1704 173.8665 102 F 5.3977 9.3512 125.6788 56.0289 41.4399 174.3400 103 D 5.0709 9.2563 124.9215 53.4344 42.4856 175.5965 104 I 4.7384 8.0869 123.4929 59.8853 39.1800 175.6684 105 E 4.4807 8.9642 128.3773 54.5988 29.9764 172.0103 106 C 4.8160 8.4622 124.1872 55.3154 44.4457 171.7404 107 D 4.9935 8.3920 126.8130 52.1753 42.4456 176.2747 108 K 4.1721 8.6897 123.5760 57.5708 32.9948 176.4451 109 T 4.4801 7.7196 111.0438 61.0950 71.5444 173.1169 *120 S 4.4349 8.3264 114.3087 58.9290 63.6677 174.4511 121 Q 4.2428 8.6221 115.9498 58.6459 28.9430 177.8750 122 K 3.8368 8.3121 120.2213 59.9413 31.9043 177.7371 123 A 4.0258 8.0743 120.3441 55.0522 18.3724 179.1013 124 I 3.7523 7.8238 116.5157 64.6943 37.4482 178.1424 125 Q 4.0424 8.1594 118.5663 59.6045 28.6655 179.5155 126 D 4.4015 7.9379 119.2949 57.3232 40.9373 178.5291 127 E 3.8048 7.9235 118.6218 59.5147 29.4983 179.1198 128 I 3.6948 7.7585 119.3746 64.8284 37.2235 178.1724 129 R 3.9409 7.7873 118.0969 59.7540 29.9257 178.9513 130 S 3.9638 8.1476 113.4810 61.8757 62.5880 176.6513 131 V 3.6627 7.6589 121.2231 65.8321 31.3055 177.8517 132 I 3.7734 8.0430 119.4038 64.5491 36.9540 178.4290 133 R 3.9159 8.8550 119.9506 59.7525 30.0049 178.2070 134 Q 4.0515 8.4421 118.0160 58.9125 28.7339 178.6425 135 I 4.1327 8.4763 120.8257 65.2770 37.1118 178.5628 136 T 4.0530 8.1550 114.9184 66.7648 68.7935 176.5720 137 A 4.0535 8.3298 122.6680 55.0995 18.2104 179.9748 138 T 3.9130 8.0859 114.8966 66.8503 68.7179 177.2939 139 V 3.8722 8.0659 120.8999 64.9959 30.8161 178.2999 140 T 3.7179 7.0975 115.1841 66.4440 68.3699 175.0692 141 F 4.9098 8.1842 116.5609 58.0317 39.6494 176.2905 142 L 4.3168 7.2473 120.8617 53.3332 42.1228 175.0916 143 P 4.5295 0.0000 0.0000 61.9944 32.1716 175.8362 144 L 4.1353 8.1353 121.0148 54.9063 42.6215 176.6452 145 L 4.4272 8.2697 125.1200 54.8406 42.3819 177.0764 146 E 4.6573 8.4708 114.9227 56.4939 32.3143 174.6482 147 V 4.4767 7.3582 111.7938 59.1641 35.1488 174.7119 148 S 4.6688 8.4050 117.4402 59.1891 63.7572 173.1997 149 C 5.0729 8.1068 114.1384 58.0083 33.1032 172.8371 150 S 5.3197 8.8369 115.0265 56.7380 65.8052 172.9099 151 F 4.8397 9.2527 121.0387 56.4055 41.1342 174.8629 152 D 4.9860 8.0796 120.7441 52.5774 44.4095 174.4104 153 L 4.9536 9.2166 126.9899 54.3538 44.1357 175.5478 154 L 5.0149 8.9192 125.3573 53.0756 44.8169 175.6572 155 I 4.3023 8.5524 126.5526 60.6439 38.5776 174.8705 156 Y 5.0059 8.9144 126.4602 56.9381 39.3248 175.1584 157 T 5.0845 8.3395 113.5422 59.2108 72.6363 173.0268 158 D 4.8865 8.5385 121.5822 54.3192 41.3969 177.9238 159 K 4.0428 8.8014 123.8962 58.4739 32.6898 176.2093 160 D 4.9305 7.1882 118.7685 51.7060 41.3380 175.7281 161 L 4.3562 7.7000 119.3126 54.1150 45.1027 175.4704 162 V 3.9511 8.6278 120.0547 62.2905 31.4020 176.4614 163 V 3.7605 7.3468 120.7980 61.8454 31.1944 174.6011 164 P 4.5717 0.0000 0.0000 62.0227 32.3416 176.9525 165 E 4.0400 9.0637 122.0877 59.3081 29.7879 179.4609 166 K 4.0925 8.1470 117.3987 59.4435 33.0549 178.9243 167 W 4.1752 8.2612 120.0530 58.6663 29.2470 175.6120 168 E 4.6193 7.9671 115.8914 55.9127 29.7507 173.8165 169 E 3.9437 8.3586 126.7388 57.0609 29.6898 175.6052 170 S 4.1086 8.0600 114.7879 60.6277 63.8850 175.1524 171 G 4.5486 7.4122 110.5863 43.1919 0.0000 170.9201 172 P 4.7726 0.0000 0.0000 61.9927 32.9942 175.3205 173 Q 5.4640 8.4936 119.5395 55.5449 31.9679 172.9636 174 F 5.1168 9.0345 113.7072 55.5134 41.6846 173.3953 175 I 4.8887 8.4730 119.4896 60.1212 40.4439 176.1151 176 T 4.5227 8.4621 121.2966 62.3832 70.4191 173.5262 177 N 4.4968 8.8638 124.4982 54.1997 39.6469 175.5589 178 S 4.1434 7.8155 112.9886 58.4707 63.5531 173.7670 179 E 4.0151 8.4539 124.8219 57.0689 30.0080 176.8574 180 E 4.0749 8.9015 117.8664 56.1157 27.3851 174.8324 181 V 4.2137 7.0254 116.7599 60.5883 34.0159 174.9955 182 R 4.0720 8.6878 126.9609 59.3341 30.8989 177.1171 183 L 4.1183 7.7228 119.3784 55.7890 42.2360 176.7258 184 R 4.7549 9.0004 123.0306 56.9283 33.9486 175.8725 185 S 4.8453 7.7291 112.5489 56.5222 66.6579 172.8283 186 F 5.3432 8.4478 126.4005 56.4658 41.8481 173.8699 187 T 5.4266 9.1825 115.7740 60.6083 72.1102 173.0758 188 T 5.4897 9.3590 121.7196 62.8855 71.9089 173.6677 189 T 5.2435 8.7076 118.6002 62.8143 73.6660 172.6661 190 I 4.7184 8.4686 127.0217 60.3735 39.0776 175.2448 191 H 4.5753 9.0816 124.2729 53.6485 30.8430 172.9993 192 K 4.5937 8.4236 123.5831 56.0039 32.6802 177.1794 193 V 4.1677 8.5119 125.5672 62.1195 34.2156 175.7101 194 N 4.0929 8.7447 127.2994 54.6436 37.7662 173.0755 195 S 4.8542 7.9442 108.9916 58.6079 65.2649 173.9720 196 M 4.8193 8.4170 120.6479 53.5178 35.1748 175.3612 197 V 4.1811 8.2369 120.6129 60.8639 34.1491 174.6224 198 A 4.3801 8.4257 130.4055 51.6283 19.3795 175.7099 199 Y 4.7679 8.4293 119.2791 56.0621 41.6689 174.4324 200 K 4.8766 8.4149 119.8693 55.2788 35.6904 176.2411 201 I 4.6869 7.8349 117.4668 59.6431 37.9310 174.1901 202 P 4.3243 0.0000 0.0000 63.0118 32.1781 177.3279 203 V 3.9884 8.1861 120.5493 63.0696 31.7473 175.0437 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 9 G 8.34 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.97 4.45 0.00 4.08 3.73 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 11 I 9.08 4.76 2.11 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.93 1.20 0.00 0.00 12 T 8.55 4.90 4.26 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 1.28 0.00 0.00 13 L 9.18 4.50 0.00 1.61 1.68 0.90 0.52 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 14 R 9.31 4.98 0.00 1.81 1.92 0.00 3.15 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 15 G 7.71 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.09 4.76 0.00 4.09 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 4.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 3.90 0.00 1.93 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 2.32 2.32 0.00 19 I 7.47 3.75 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.50 1.11 0.00 0.00 20 V 7.76 3.85 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 1.09 0.00 0.00 1.13 0.00 0.00 21 A 7.82 4.00 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 22 E 7.98 3.43 0.00 1.74 1.50 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 1.47 2.04 0.00 23 F 7.87 4.34 0.00 3.30 2.96 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 0.00 0.00 0.00 24 F 8.40 4.03 0.00 2.98 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 25 S 8.17 3.81 0.00 3.69 3.61 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 26 F 7.81 4.73 0.00 3.38 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 27 G 8.35 3.64 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 0.00 0.00 0.00 28 I 7.87 3.68 1.21 0.00 0.00 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 1.62 1.37 0.63 0.00 0.00 29 N 8.06 4.33 0.00 3.21 3.06 0.00 0.00 6.48 7.12 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 30 S 8.25 4.28 0.00 4.13 3.93 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 31 I 8.09 3.45 1.72 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.73 -0.14 0.00 0.00 32 L 7.90 4.22 0.00 2.11 2.09 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 8.21 3.59 0.00 2.97 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.49 3.79 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.66 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 35 R 8.10 4.32 0.00 2.01 2.05 0.00 3.57 0.00 0.00 3.48 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 36 G 7.87 3.94 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 0.00 0.00 0.00 37 I 7.19 3.74 2.20 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.92 0.00 0.00 38 Y 7.91 4.66 0.00 3.64 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 39 P 0.00 4.53 0.00 2.17 2.26 0.00 3.96 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 40 S 8.70 4.41 0.00 3.95 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 41 E 8.16 4.29 0.00 2.14 2.14 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 2.37 2.33 0.00 42 T 8.25 4.11 5.15 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 1.35 0.00 0.00 43 F 8.29 5.26 0.00 2.69 2.96 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 0.00 0.00 0.00 44 T 8.62 4.65 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 1.18 0.00 0.00 45 R 8.39 4.87 0.00 1.70 1.79 0.00 3.18 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 46 V 8.77 4.65 2.06 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 0.75 0.00 0.00 0.91 0.00 0.00 47 Q 8.56 5.47 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.66 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 48 K 8.27 4.40 0.00 1.80 1.82 0.00 1.91 0.00 0.00 2.33 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.09 1.18 7.81 49 Y 8.87 3.60 0.00 3.20 3.12 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 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.12 4.13 0.00 2.76 2.63 0.00 0.00 7.09 7.33 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 68 V 7.66 3.78 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 0.78 0.00 0.00 1.20 0.00 0.00 69 V 7.68 3.67 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 0.97 0.00 0.00 1.02 0.00 0.00 70 E 8.79 3.80 0.00 1.86 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 2.42 2.37 0.00 71 Q 7.78 3.46 0.00 1.99 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 72 L 7.18 3.98 0.00 1.90 1.82 1.06 0.19 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 73 K 8.23 3.80 0.00 1.77 1.94 0.00 1.87 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.42 7.81 74 D 7.56 4.29 0.00 2.61 2.25 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 75 W 7.67 4.66 0.00 3.51 3.05 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 0.00 0.00 0.00 76 L 8.16 4.20 0.00 2.05 1.77 0.98 0.77 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 77 Y 8.43 4.43 0.00 3.28 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 78 K 7.10 4.11 0.00 1.56 1.18 0.00 1.63 0.00 0.00 1.47 0.00 0.00 3.38 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.00 1.42 7.81 79 C 8.57 3.89 0.00 3.06 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 80 S 7.93 4.17 0.00 3.81 3.83 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 81 V 7.56 4.72 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 0.81 0.00 0.00 0.95 0.00 0.00 82 Q 9.33 4.42 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 83 K 7.88 5.02 0.00 1.92 1.81 0.00 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0.00 0.00 0.00 0.00 2.44 2.79 0.00 135 I 8.48 4.13 2.15 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.93 0.86 0.00 0.00 136 T 8.16 4.05 4.49 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 1.23 0.00 0.00 137 A 8.33 4.05 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 0.00 138 T 8.09 3.91 4.73 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 0.81 0.00 0.00 139 V 8.07 3.87 2.32 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 1.07 0.00 0.00 0.99 0.00 0.00 140 T 7.10 3.72 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 141 F 8.18 4.91 0.00 3.01 2.96 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 0.00 0.00 0.00 142 L 7.25 4.32 0.00 1.86 1.65 1.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.53 0.00 2.19 2.07 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 144 L 8.14 4.14 0.00 1.62 1.62 0.92 0.97 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 0.00 145 L 8.27 4.43 0.00 1.71 1.61 1.07 0.97 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 0.00 146 E 8.47 4.66 0.00 2.02 1.98 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 2.18 2.33 0.00 147 V 7.36 4.48 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 0.78 0.00 0.00 0.94 0.00 0.00 148 S 8.40 4.67 0.00 3.74 3.80 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 0.00 149 C 8.11 5.07 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.84 5.32 0.00 3.94 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 0.00 151 F 9.25 4.84 0.00 2.29 1.92 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 0.00 152 D 8.08 4.99 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.22 4.95 0.00 2.36 1.96 1.49 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.92 5.01 0.00 1.69 1.16 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.55 4.30 1.70 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 0.85 0.00 0.00 156 Y 8.91 5.01 0.00 3.19 2.85 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 0.00 157 T 8.34 5.08 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 0.75 0.00 0.00 158 D 8.54 4.89 0.00 2.78 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 0.00 159 K 8.80 4.04 0.00 1.76 1.84 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.39 7.81 160 D 7.19 4.93 0.00 2.81 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 0.00 161 L 7.70 4.36 0.00 1.54 1.49 0.34 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 162 V 8.63 3.95 2.20 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 1.02 0.00 0.00 1.03 0.00 0.00 163 V 7.35 3.76 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 0.72 0.00 0.00 0.97 0.00 0.00 164 P 0.00 4.57 0.00 2.53 2.19 0.00 4.08 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.30 0.00 165 E 9.06 4.04 0.00 2.05 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 2.42 2.35 0.00 166 K 8.15 4.09 0.00 1.92 2.04 0.00 1.06 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.48 1.58 7.81 167 W 8.26 4.18 0.00 3.73 3.38 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 0.00 168 E 7.97 4.62 0.00 2.06 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 2.41 2.33 0.00 169 E 8.36 3.94 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 170 S 8.06 4.11 0.00 4.03 3.99 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 0.00 171 G 7.41 4.55 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 0.00 172 P 0.00 4.77 0.00 1.96 1.66 0.00 3.63 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.70 0.00 173 Q 8.49 5.46 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 174 F 9.03 5.12 0.00 2.98 2.98 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 0.00 175 I 8.47 4.89 1.89 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 1.33 0.94 0.89 0.00 0.00 176 T 8.46 4.52 4.21 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 1.23 0.00 0.00 177 N 8.86 4.50 0.00 2.66 2.83 0.00 0.00 7.26 7.63 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 0.00 178 S 7.82 4.14 0.00 4.02 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 0.00 179 E 8.45 4.02 0.00 2.05 1.89 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 2.37 2.39 0.00 180 E 8.90 4.07 0.00 2.19 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 0.00 2.18 2.23 0.00 181 V 7.03 4.21 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 0.20 0.00 0.00 0.61 0.00 0.00 182 R 8.69 4.07 0.00 1.99 1.97 0.00 3.21 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 183 L 7.72 4.12 0.00 1.49 1.27 0.69 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 184 R 9.00 4.75 0.00 1.68 1.82 0.00 3.26 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 185 S 7.73 4.85 0.00 3.89 3.83 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 0.00 186 F 8.45 5.34 0.00 2.64 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 0.00 187 T 9.18 5.43 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 188 T 9.36 5.49 4.73 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 1.79 0.00 0.00 189 T 8.71 5.24 4.38 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 1.34 0.00 0.00 190 I 8.47 4.72 1.85 0.00 0.00 -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 0.95 0.55 0.63 0.00 0.00 191 H 9.08 4.58 0.00 2.18 3.01 0.00 5.81 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 K 8.42 4.59 0.00 1.60 1.71 0.00 1.87 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.35 7.81 193 V 8.51 4.17 2.20 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 0.81 0.00 0.00 1.10 0.00 0.00 194 N 8.74 4.09 0.00 2.93 2.81 0.00 0.00 6.64 7.57 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 0.00 195 S 7.94 4.85 0.00 3.91 3.77 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 0.00 196 M 8.42 4.82 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 197 V 8.24 4.18 2.20 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 0.40 0.00 0.00 0.95 0.00 0.00 198 A 8.43 4.38 1.20 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 0.00 199 Y 8.43 4.77 0.00 2.90 2.82 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 0.00 200 K 8.41 4.88 0.00 1.74 1.76 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.43 7.81 201 I 7.83 4.69 1.88 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 1.42 0.46 0.91 0.00 0.00 202 P 0.00 4.32 0.00 2.05 2.00 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 203 V 8.19 3.99 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 0.80 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.