NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3757 8.1744 110.9528 60.7711 70.1005 173.1137 6 W 4.1747 8.8873 133.5337 57.2391 31.0671 173.7292 7 Q 4.2774 7.5612 125.3492 53.5174 30.6124 175.3243 8 V 3.6130 7.9955 122.6399 62.3072 32.2573 176.1269 9 R 4.0817 8.7986 123.0360 55.6937 30.9344 175.5332 10 D 4.6206 8.6594 125.6283 53.1920 41.4975 175.4070 11 L 4.6944 8.8984 126.1139 54.5038 42.1160 179.2177 12 R 4.0226 8.0072 120.4502 59.2203 29.9898 178.1135 13 R 4.1244 7.8914 114.3695 57.0818 30.5057 176.6051 14 I 4.1395 7.4825 119.4902 60.2642 36.1877 175.3096 15 L 4.5373 8.1455 124.6591 54.6073 42.9360 176.8489 16 R 4.6670 7.6643 119.4258 55.0383 31.7327 176.8737 17 V 3.4326 8.4062 124.1327 66.2565 31.7569 178.6356 18 S 3.8885 7.8220 113.3401 61.1660 62.8556 175.8766 19 E 3.8965 7.9863 122.4543 58.9021 29.4515 178.2966 20 L 3.9895 8.1280 120.6881 58.3797 42.2247 179.0353 21 R 3.7364 7.8759 118.1997 59.1566 29.9786 178.7059 22 Q 3.9059 7.8642 118.7544 59.7785 29.1647 178.2411 23 H 4.2043 8.3700 116.9841 58.8243 28.6496 177.9103 24 L 4.2149 8.4043 121.2323 57.6880 41.4674 179.5733 25 R 3.9609 8.1516 118.1678 59.3293 30.0028 178.9335 26 Q 3.9703 8.1381 118.8652 58.9987 28.9880 177.8605 27 A 4.2883 8.2222 121.8941 55.3516 18.4491 179.5849 28 R 3.8214 8.2467 117.1170 59.8322 30.0367 178.8105 29 T 3.8499 7.9011 115.4643 66.9003 68.2757 176.4086 30 D 4.4438 8.4052 119.7622 57.2301 41.1017 178.3598 31 F 3.1569 8.2813 121.4886 60.9175 39.2848 177.1164 32 R 3.5237 7.9362 118.5625 59.2548 29.5801 178.3590 33 S 4.1876 7.5589 112.9081 60.4710 63.0561 175.4531 34 T 4.1994 7.2936 112.0133 61.9268 68.9673 174.8913 35 L 4.2698 7.0243 121.3073 54.5433 42.0412 177.6746 36 S 4.2046 7.8184 115.9658 60.5046 63.6393 175.1765 37 Q 4.3369 7.9071 119.0469 57.3445 29.3796 175.6080 38 F 4.9182 7.2624 109.1159 55.7194 40.6293 174.1631 39 V 4.1452 7.9312 112.7428 61.0111 33.1169 175.5464 40 Y 4.8697 7.7626 117.1427 57.8806 38.2154 175.7844 41 F 5.1195 7.8302 111.5269 57.1297 41.9717 173.6805 42 N 5.1035 7.7569 120.5840 51.4364 41.3870 173.5726 43 R 4.0631 8.5972 124.4954 56.0607 30.9347 176.4565 44 S 4.3074 8.4700 116.4942 58.1041 63.1488 175.5685 45 V 3.5806 9.2136 127.3984 65.8848 31.5859 177.7621 46 V 3.7087 7.9393 118.1760 65.2635 31.6400 175.3485 47 N 4.8588 8.3182 117.9698 50.3664 39.0825 172.9865 48 P 4.4545 0.0000 0.0000 64.0737 31.7948 177.3170 49 N 4.3672 7.9354 113.5205 53.6338 39.0762 173.6829 50 A 4.5107 7.8626 121.3812 50.3176 22.2035 174.2990 51 Y 4.7146 7.7394 115.4182 56.2057 40.1924 176.6725 52 D 4.6204 8.5407 121.8441 53.2501 41.0315 176.2203 53 D 4.9175 8.6956 118.2552 55.2502 41.0528 176.0147 54 E 4.7848 8.5081 122.7885 55.4480 31.2248 174.6297 55 Y 5.2524 8.7728 123.8808 55.2658 41.9011 174.5092 56 L 4.4512 8.9390 121.3580 54.6956 42.9534 177.3509 57 L 4.4793 8.3696 122.7295 53.2417 41.1706 177.7038 58 S 4.0538 8.5284 119.7407 60.6943 63.1529 175.1018 59 D 4.5917 7.7841 118.1093 54.3796 41.2533 176.5648 60 Q 4.1678 7.3729 118.5256 55.3142 29.3056 176.1796 61 R 4.1675 8.0077 118.6861 55.6374 30.9030 176.6438 62 L 4.2010 8.1270 120.0580 55.1297 42.3355 176.6816 63 T 4.2746 8.0488 112.4323 59.8306 72.6348 172.1636 64 Y 4.9873 8.5598 119.5036 56.0215 41.2901 175.0341 65 V 4.6783 8.5513 123.9826 61.3046 33.8453 174.0280 66 Y 4.9521 8.9159 126.1518 57.9050 38.9471 175.2993 67 V 5.0922 9.4231 116.1949 58.6443 37.2181 174.6469 68 D 5.6862 8.6696 120.9555 52.0882 40.3259 176.9313 69 E 2.7563 8.7304 119.4107 59.0108 29.2078 178.9692 70 V 3.5792 7.6481 117.6892 66.2959 31.8270 178.0329 71 T 3.9670 8.5494 115.5150 66.5067 68.2401 176.3485 72 A 4.0145 8.0298 122.7517 55.2459 18.4710 179.8012 73 Q 3.8491 7.6167 114.9383 58.9406 28.7428 178.4851 74 L 3.9857 7.8809 118.8080 58.0736 42.0089 179.1917 75 C 4.3654 8.6403 116.5843 62.5344 28.2261 176.4246 76 G 3.6405 7.7799 108.0417 48.3016 0.0000 174.1624 77 L 4.4712 7.6582 116.7040 54.9250 41.8645 176.5841 78 N 4.9526 7.6437 115.1568 52.5535 40.6149 174.2458 79 R 3.9875 8.2621 115.3785 57.7781 28.2473 175.1749 80 L 5.4289 7.7500 114.6809 52.8027 46.1843 176.9323 81 L 4.7719 8.8413 124.4886 52.6536 44.4888 174.0605 82 P 5.0778 0.0000 0.0000 62.0540 33.0204 175.8147 83 S 4.7991 9.2929 116.2031 57.2770 64.8125 173.9874 84 N 5.8307 9.1831 116.6571 51.4060 38.5815 173.6011 85 S 4.8667 8.1433 112.6637 57.1828 65.9443 171.4722 86 P 4.4534 0.0000 0.0000 62.5262 32.2428 175.3456 87 A 3.5075 8.5913 117.4951 53.7771 15.7056 177.5219 88 F 3.9957 7.7622 113.0748 59.6008 37.1837 176.0675 89 G 4.1298 7.5157 106.8420 45.6643 0.0000 173.7495 90 T 5.1626 8.9577 120.8154 61.6800 71.4562 173.0377 91 V 4.6515 9.3457 127.6408 61.3988 32.8600 174.9023 92 A 5.1778 9.2281 128.7125 50.6031 22.8820 174.4489 93 T 4.5845 8.4521 112.3341 60.2073 71.3368 173.3805 94 A 4.3785 8.4276 129.4492 50.6782 17.4530 175.2114 *96 P 2.9700 0.0000 0.0000 61.1874 32.2652 176.7395 97 P 4.1456 0.0000 0.0000 64.5708 31.0859 177.0471 98 W 4.5486 6.5657 114.3425 56.8454 29.1159 177.2850 99 L 4.0077 7.1808 121.0718 57.5559 41.5955 176.6738 100 L 4.7832 7.0873 115.5116 52.0862 45.2049 175.8219 101 D 4.4120 8.0643 119.4336 53.7709 41.7325 175.7010 102 P 4.1722 0.0000 0.0000 65.8614 31.6276 177.7586 103 Q 4.1370 8.5592 116.6771 59.1669 28.6965 177.7005 104 E 4.1624 7.9962 116.1199 56.8695 29.3272 178.2575 *106 N 4.4130 8.2960 119.6041 53.5511 40.7994 176.1924 107 A 3.9195 7.7104 119.0987 55.0216 18.7126 179.3259 108 I 3.6148 7.5379 117.7281 64.5519 37.3653 178.3575 109 L 3.8179 7.6536 119.0800 58.0283 41.1648 179.5224 110 Q 3.9092 8.0097 116.9110 58.9037 28.6710 178.4863 111 Q 4.1626 7.6996 116.9892 57.6999 28.9848 177.5863 112 S 4.5346 7.5597 114.7344 58.3323 63.5537 174.0671 113 C 5.1074 7.0469 117.6941 56.5621 31.6492 174.5793 114 G 3.9087 8.6372 113.7044 45.2232 0.0000 171.9498 115 Q 4.5869 8.1342 117.4123 55.0208 30.5396 175.5853 116 G 3.8057 8.7137 106.9142 45.6339 0.0000 174.5241 117 G 3.9743 7.7337 108.8740 44.1394 0.0000 173.5560 118 F 4.1091 8.9451 121.3559 60.5333 39.6335 175.4227 119 V 4.0956 8.1570 120.4796 60.9869 32.8507 174.0480 120 N 4.5454 8.0908 124.1364 51.6511 40.0358 174.1782 121 Y 4.9414 7.9170 123.5484 60.1543 38.2119 177.8087 122 H 4.6400 8.4193 115.8738 57.5245 28.8749 175.7328 123 H 4.4754 8.1323 116.2119 56.2774 28.9279 175.5395 124 G 4.0031 8.2030 106.8567 43.8119 0.0000 172.6411 125 P 5.2200 0.0000 0.0000 64.0485 31.6298 178.6123 126 S 4.3005 8.1550 114.6276 61.4217 63.3309 175.6850 127 T 4.4757 8.3259 110.1902 62.6869 69.1343 174.9842 128 N 5.3596 8.2324 119.8298 52.9399 38.2023 175.6792 129 S 4.5467 8.4922 113.4355 60.2532 64.6259 172.8987 130 F 5.3688 8.9492 119.3841 55.7730 43.6394 173.3925 131 F 5.4276 9.0618 113.9927 55.4496 41.7355 173.3737 132 L 5.2423 9.1254 119.6043 52.9835 44.7055 175.2445 133 A 5.1237 9.4871 125.5778 50.1805 21.5734 175.6525 134 I 4.6139 8.0954 114.5699 59.3290 41.6210 175.7720 135 L 4.2963 7.7990 123.3624 53.6829 43.8663 175.7067 *137 S 4.4815 8.2330 113.8142 58.7368 63.9307 174.2439 138 Q 4.0782 7.8025 117.4125 58.0816 28.1817 177.4261 139 L 4.0206 7.4299 118.3179 56.4033 41.9926 177.1795 140 F 4.4264 8.0563 118.7017 57.0707 39.4125 174.5618 141 I 4.7280 8.5180 119.3024 58.8642 40.5407 174.7963 142 R 4.3874 8.7519 125.7442 56.4370 30.5119 176.3673 143 I 4.4950 8.6744 119.6581 61.5943 39.8008 175.4245 144 R 4.6038 7.5358 120.6239 55.6720 33.5184 173.3190 145 T 5.1555 8.5204 119.7247 61.9667 71.1985 173.0265 146 D 4.9729 9.5232 127.1446 52.6938 43.3933 175.6375 147 V 4.8047 8.4881 123.2885 61.4192 32.8707 174.9823 148 I 4.5532 8.5149 128.9309 60.6233 40.2808 176.1284 149 R 3.6447 9.8240 125.0675 57.4559 27.2983 177.2752 150 G 4.0021 8.5965 103.7109 45.3242 0.0000 173.3463 151 Q 4.4886 7.7728 118.6392 53.7113 32.4388 174.7086 152 G 4.1972 8.3344 110.1876 45.4475 0.0000 172.4771 153 Y 4.8331 9.2931 122.3995 55.8640 41.4653 175.3478 154 G 3.9684 8.8119 111.3330 45.7050 0.0000 172.2149 155 W 5.1772 9.0236 123.3285 54.9180 32.0727 174.7247 156 Y 5.4485 9.2461 119.9077 56.4118 42.4622 174.1701 157 A 5.0565 9.2156 122.7649 50.3722 22.8918 174.9236 158 R 4.1478 8.6273 123.5635 55.0842 31.1596 175.7401 159 L 3.3740 9.3493 127.7182 56.4786 40.2326 174.2405 160 G 4.2125 8.4416 113.8435 46.1432 0.0000 173.4526 161 N 4.6697 7.9822 114.8359 51.7260 37.0741 173.9252 162 Y 4.9038 7.5589 117.5705 55.9625 42.4697 175.0608 163 V 4.5255 8.1845 114.9988 59.0483 34.6449 175.5907 164 E 4.2562 8.6576 123.8791 55.7901 30.1372 176.4277 165 E 3.9690 8.8333 124.2406 57.8829 30.0963 175.2435 166 G 4.1020 8.9348 114.1976 45.3778 0.0000 173.1560 *184 E 4.1138 7.6921 118.8790 56.1327 30.2284 175.1076 185 T 4.3748 8.5375 121.9669 64.4153 69.8431 175.2915 186 R 4.5641 8.2511 120.1053 55.6793 31.4421 175.7187 187 E 4.3899 9.6720 124.1544 55.2016 30.9241 175.0486 188 F 5.4358 7.5751 120.0342 56.6985 41.0225 173.5693 189 Q 4.1395 8.9374 119.0929 55.7460 28.9811 176.5182 190 L 4.4352 8.0359 123.1853 52.7577 41.8978 175.3025 191 S 4.2073 7.4675 115.6033 56.7627 65.4660 173.8543 192 D 4.8879 8.7938 122.3730 55.9095 41.9079 176.1217 193 L 5.0098 7.8107 118.9494 53.0553 45.1487 175.7318 194 I 4.6980 8.4912 117.6915 58.8933 40.9223 174.7641 195 H 4.9069 9.3955 122.3200 56.5778 29.0457 174.5742 196 Y 4.3660 8.6776 122.4919 55.8076 42.3100 171.9961 197 P 4.5410 0.0000 0.0000 62.8156 32.4161 175.3902 198 I 4.3229 8.2585 124.1565 59.8670 38.7221 175.7848 199 V 3.8128 8.6233 127.5619 65.6240 32.3416 175.5147 200 A 5.3969 7.7905 120.0201 50.5738 22.8783 174.5991 201 L 4.8652 8.5852 119.3236 54.3628 44.2897 175.9762 202 G 3.8764 6.9729 106.1060 45.9380 0.0000 171.6559 203 S 4.4379 8.5583 114.0540 57.0500 63.9917 173.9725 204 C 4.5250 8.5211 120.8060 60.1835 28.8492 174.7588 205 H 4.5927 8.0626 117.8218 54.1657 26.9645 174.0429 206 L 5.2251 7.9479 122.3782 52.7590 45.1778 175.4384 207 T 4.7096 9.0410 111.1570 60.0031 72.1522 174.3142 208 R 4.2783 8.4579 120.8203 56.4032 30.1544 176.0543 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 5 T 8.17 4.38 4.36 0.00 0.00 0.00 0.00 0.00 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 6 W 8.89 4.17 0.00 3.54 3.20 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 7 Q 7.56 4.28 0.00 1.68 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.66 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 8 V 8.00 3.61 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 0.70 0.00 0.00 0.99 0.00 0.00 9 R 8.80 4.08 0.00 1.87 1.97 0.00 3.23 0.00 0.00 2.82 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 10 D 8.66 4.62 0.00 2.65 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 11 L 8.90 4.69 0.00 1.83 1.67 1.10 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.01 4.02 0.00 1.97 2.16 0.00 3.28 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 13 R 7.89 4.12 0.00 1.80 1.98 0.00 3.37 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 14 I 7.48 4.14 1.98 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.45 0.90 0.00 0.00 15 L 8.15 4.54 0.00 1.70 1.69 0.93 1.04 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 16 R 7.66 4.67 0.00 1.83 1.81 0.00 3.31 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 17 V 8.41 3.43 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 0.61 0.00 0.00 0.99 0.00 0.00 18 S 7.82 3.89 0.00 3.99 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 19 E 7.99 3.90 0.00 2.04 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 2.44 2.38 0.00 20 L 8.13 3.99 0.00 1.89 1.76 1.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.88 3.74 0.00 1.55 1.71 0.00 2.21 0.00 0.00 2.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 22 Q 7.86 3.91 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 23 H 8.37 4.20 0.00 3.41 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.40 4.21 0.00 1.99 1.90 1.30 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.15 3.96 0.00 2.09 2.00 0.00 3.13 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 26 Q 8.14 3.97 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 27 A 8.22 4.29 1.59 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 0.00 0.00 28 R 8.25 3.82 0.00 1.90 2.10 0.00 3.09 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 1.61 1.64 0.00 29 T 7.90 3.85 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 1.21 0.00 0.00 30 D 8.41 4.44 0.00 2.99 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 31 F 8.28 3.16 0.00 1.85 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 32 R 7.94 3.52 0.00 1.92 1.93 0.00 3.07 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 33 S 7.56 4.19 0.00 3.96 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 34 T 7.29 4.20 4.07 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 1.32 0.00 0.00 35 L 7.02 4.27 0.00 1.41 1.34 0.34 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.82 4.20 0.00 3.90 3.89 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 37 Q 7.91 4.34 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 38 F 7.26 4.92 0.00 2.98 2.90 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 0.00 39 V 7.93 4.15 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 0.65 0.00 0.00 0.65 0.00 0.00 40 Y 7.76 4.87 0.00 2.33 2.50 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 41 F 7.83 5.12 0.00 3.13 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 42 N 7.76 5.10 0.00 2.85 2.69 0.00 0.00 7.21 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 43 R 8.60 4.06 0.00 1.75 1.66 0.00 3.11 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.39 0.00 44 S 8.47 4.31 0.00 3.81 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 45 V 9.21 3.58 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 0.93 0.00 0.00 46 V 7.94 3.71 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 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0.00 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 64 Y 8.56 4.99 0.00 2.55 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 0.00 0.00 0.00 65 V 8.55 4.68 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 1.18 0.00 0.00 0.92 0.00 0.00 66 Y 8.92 4.95 0.00 2.99 3.03 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 0.00 0.00 0.00 67 V 9.42 5.09 2.22 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 0.89 0.00 0.00 1.06 0.00 0.00 68 D 8.67 5.69 0.00 2.89 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 69 E 8.73 2.76 0.00 1.80 1.80 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 2.15 1.47 0.00 70 V 7.65 3.58 2.23 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 1.11 0.00 0.00 0.90 0.00 0.00 71 T 8.55 3.97 4.39 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 0.00 0.00 0.00 1.41 0.00 0.00 72 A 8.03 4.01 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 73 Q 7.62 3.85 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 74 L 7.88 3.99 0.00 1.65 1.78 1.05 1.07 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 75 C 8.64 4.37 0.00 3.05 3.20 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 76 G 7.78 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 77 L 7.66 4.47 0.00 1.77 1.69 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 78 N 7.64 4.95 0.00 2.87 2.77 0.00 0.00 6.84 7.82 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 79 R 8.26 3.99 0.00 2.08 2.02 0.00 3.24 0.00 0.00 3.45 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 80 L 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0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.20 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 0.00 0.00 0.00 125 P 0.00 5.22 0.00 2.27 2.47 0.00 3.91 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.93 0.00 126 S 8.16 4.30 0.00 4.12 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 0.00 127 T 8.33 4.48 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 1.38 0.00 0.00 128 N 8.23 5.36 0.00 2.77 3.03 0.00 0.00 6.64 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 0.00 129 S 8.49 4.55 0.00 4.12 4.48 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 0.00 130 F 8.95 5.37 0.00 3.19 3.03 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 0.00 0.00 0.00 131 F 9.06 5.43 0.00 2.73 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 0.00 132 L 9.13 5.24 0.00 1.57 1.57 0.93 0.75 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 0.00 133 A 9.49 5.12 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 0.00 134 I 8.10 4.61 1.84 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.44 0.79 0.00 0.00 135 L 7.80 4.30 0.00 1.64 1.61 1.02 0.84 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 *137 S 8.23 4.48 0.00 4.31 4.44 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 0.00 138 Q 7.80 4.08 0.00 2.03 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 139 L 7.43 4.02 0.00 1.43 1.43 0.14 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 140 F 8.06 4.43 0.00 3.05 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 0.00 141 I 8.52 4.73 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.96 0.95 0.00 0.00 142 R 8.75 4.39 0.00 2.01 1.84 0.00 3.11 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 0.00 143 I 8.67 4.49 1.92 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 1.15 0.84 0.90 0.00 0.00 144 R 7.54 4.60 0.00 1.84 1.78 0.00 3.13 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 145 T 8.52 5.16 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 1.22 0.00 0.00 146 D 9.52 4.97 0.00 3.00 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 0.00 147 V 8.49 4.80 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 0.81 0.00 0.00 0.94 0.00 0.00 148 I 8.51 4.55 2.03 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 1.38 0.82 0.94 0.00 0.00 149 R 9.82 3.64 0.00 2.02 2.04 0.00 3.27 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 150 G 8.60 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 0.00 0.00 0.00 151 Q 7.77 4.49 0.00 1.82 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.20 2.42 0.00 152 G 8.33 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 0.00 153 Y 9.29 4.83 0.00 2.94 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 0.00 154 G 8.81 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 0.00 155 W 9.02 5.18 0.00 3.15 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 0.00 156 Y 9.25 5.45 0.00 3.02 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 0.00 157 A 9.22 5.06 0.79 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 0.00 0.00 158 R 8.63 4.15 0.00 0.67 1.05 0.00 2.88 0.00 0.00 2.93 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.04 0.00 159 L 9.35 3.37 0.00 2.09 1.68 1.15 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.44 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 0.00 0.00 0.00 0.00 161 N 7.98 4.67 0.00 2.42 2.60 0.00 0.00 6.56 7.46 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 0.00 162 Y 7.56 4.90 0.00 3.09 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 0.00 163 V 8.18 4.53 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 0.74 0.00 0.00 0.98 0.00 0.00 164 E 8.66 4.26 0.00 1.97 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 2.33 2.36 0.00 165 E 8.83 3.97 0.00 2.08 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 0.00 2.30 2.26 0.00 166 G 8.93 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 0.00 0.00 0.00 *184 E 7.69 4.11 0.00 2.05 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 2.45 2.50 0.00 185 T 8.54 4.37 4.29 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 1.24 0.00 0.00 186 R 8.25 4.56 0.00 2.15 2.10 0.00 3.30 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 187 E 9.67 4.39 0.00 1.95 1.80 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 2.20 2.15 0.00 188 F 7.58 5.44 0.00 3.03 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 0.00 189 Q 8.94 4.14 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.10 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 190 L 8.04 4.44 0.00 1.27 1.07 0.60 0.92 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 0.00 191 S 7.47 4.21 0.00 3.62 3.68 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 0.00 0.00 0.00 0.00 192 D 8.79 4.89 0.00 2.86 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 0.00 193 L 7.81 5.01 0.00 1.27 1.36 0.61 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 194 I 8.49 4.70 2.13 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 1.45 0.95 0.95 0.00 0.00 195 H 9.40 4.91 0.00 3.44 3.46 0.00 5.69 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 0.00 196 Y 8.68 4.37 0.00 2.99 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 0.00 197 P 0.00 4.54 0.00 2.02 2.10 0.00 2.20 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 198 I 8.26 4.32 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.97 0.00 0.00 199 V 8.62 3.81 2.01 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 0.86 0.00 0.00 -0.07 0.00 0.00 200 A 7.79 5.40 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 L 8.59 4.87 0.00 1.65 1.64 0.93 0.62 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 0.00 202 G 6.97 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 0.00 203 S 8.56 4.44 0.00 3.46 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 0.00 204 C 8.52 4.52 0.00 2.80 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 0.00 205 H 8.06 4.59 0.00 3.08 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 L 7.95 5.23 0.00 1.55 1.59 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 207 T 9.04 4.71 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 1.22 0.00 0.00 208 R 8.46 4.28 0.00 1.69 1.83 0.00 3.25 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.