NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3802 8.1593 112.9243 60.2692 70.1898 173.9257 3 E 4.0538 8.1588 120.4002 56.8264 30.2854 173.5914 4 I 4.8854 8.8598 121.2076 59.8793 41.1303 175.9001 5 Y 4.8924 9.3022 125.4085 57.7704 39.8689 174.5656 6 T 5.2653 9.0518 115.8746 60.8784 71.7556 172.7090 7 S 5.4469 8.7704 121.4184 55.5278 67.7176 173.0642 8 V 5.1075 8.1937 121.7210 61.2661 34.3648 174.2536 9 L 5.6283 9.6027 127.8465 53.0269 45.3849 175.6724 10 S 5.4888 9.2686 117.0713 56.9798 66.6106 172.5371 11 Y 5.2414 9.2899 118.4654 56.3963 42.7481 174.1148 12 R 5.0900 9.1319 122.0733 54.2390 33.1297 174.7359 13 L 4.6501 9.3461 127.4498 54.7654 42.2609 177.2789 14 L 4.2185 8.9271 124.3056 55.1870 42.1677 177.2237 15 E 4.3488 8.8323 122.4927 56.2221 30.7346 176.8393 16 G 3.9685 9.1286 107.9802 45.0216 0.0000 173.1191 17 K 4.3765 7.6359 119.8905 54.0452 34.3384 174.9682 18 A 4.3276 8.5307 129.6086 51.6076 19.0493 176.1480 19 Y 4.2656 8.7660 122.1601 57.4963 38.5007 176.6898 20 S 4.5441 8.9358 121.1339 57.6624 65.6257 174.8323 21 D 4.3710 8.5906 120.4250 57.3125 40.3924 178.5979 22 A 4.0032 8.0760 120.8812 55.5010 18.3026 179.2560 23 D 4.3727 8.0293 117.0267 57.7583 40.8465 179.1652 24 T 3.9105 8.0432 116.2085 66.8443 68.4245 176.8666 25 R 3.9308 8.2265 120.0526 59.3154 29.8329 179.1269 26 S 4.0885 8.1018 112.1166 61.1434 62.4679 175.6124 27 L 4.1362 7.9794 122.2053 58.1239 41.9383 178.0108 28 D 4.5525 8.0004 116.6641 57.0272 42.8526 177.6430 29 R 4.1559 7.9799 119.9603 56.7423 26.3705 177.0667 *32 R 4.3474 7.6971 120.2208 56.1953 33.0010 178.4685 33 S 4.3330 8.1329 113.2757 60.7130 62.3346 176.2917 34 I 3.5636 7.6940 122.1477 64.3998 36.8834 177.6369 35 D 4.5912 8.2575 118.3561 57.6282 40.6148 178.0115 36 E 3.9870 8.6074 119.3127 59.0929 29.1580 179.0956 37 F 3.9920 7.8452 120.0551 61.3351 39.6382 176.9352 38 F 3.6548 7.8239 117.0936 60.5363 38.4047 177.9691 39 S 4.1790 8.2875 113.7218 61.3573 62.6826 176.1508 40 A 4.3299 7.7666 121.9776 52.3693 18.5069 176.4930 41 N 4.6298 7.4417 117.0947 50.8886 39.6304 173.2764 42 P 4.4566 0.0000 0.0000 64.2046 31.7870 177.7589 43 G 3.4122 8.0860 108.4783 48.1800 0.0000 173.2404 44 Y 4.7115 7.3553 118.0628 57.1285 38.0057 175.4264 45 I 4.0991 8.8781 128.0778 63.9492 37.8686 176.2733 46 N 4.9995 7.9208 116.9678 51.6172 41.1188 173.4969 47 F 5.0090 7.8319 120.7354 57.6564 42.4155 172.8879 48 H 4.4353 8.6433 122.5966 53.9512 33.5333 172.3199 49 I 4.6617 7.5184 121.0316 59.7275 40.4346 174.1614 50 Y 5.1256 8.5032 121.9498 56.2285 42.3168 175.3497 51 R 4.3983 9.0354 122.3643 56.1698 31.7694 175.2812 52 S 5.1774 8.2362 115.5301 56.8435 64.0998 173.7823 53 Y 4.0395 8.7095 124.5839 60.7242 38.4749 176.9895 54 R 4.2482 8.0555 119.0084 55.7424 30.7838 177.7282 55 T 4.0645 8.4692 112.3800 63.8726 69.0631 174.8186 56 D 4.6699 8.0109 120.1539 54.2417 39.9734 176.1183 57 S 4.9179 7.8011 115.1668 57.3632 66.8297 173.2515 58 D 4.9863 9.2303 122.9509 55.0930 42.5689 177.2094 59 V 4.7206 7.6126 116.4012 60.1535 35.1149 173.9566 60 I 5.1117 8.7092 123.0467 59.6527 40.9915 174.3110 61 F 5.4622 9.8669 124.7302 55.5065 42.3763 174.1451 62 W 5.7384 9.2021 132.6397 55.8703 33.6722 173.5456 63 Y 5.5077 8.2603 123.2909 56.0962 41.5848 173.7853 64 S 5.3683 8.6195 114.6504 57.7079 67.9682 173.1933 65 S 5.0637 9.1393 115.4821 57.8073 65.6560 175.8749 66 R 4.4608 8.8963 122.9340 57.0085 30.4453 175.9668 67 N 4.8378 8.1462 118.1017 50.8323 39.3035 173.5396 68 P 3.8170 0.0000 0.0000 65.3946 31.8768 177.5296 69 D 4.4824 8.4246 119.2349 56.8774 41.1580 178.1818 70 L 4.5168 7.6868 119.8888 54.8374 41.2159 178.9099 *72 I 4.1054 7.8907 120.6486 60.9807 39.9672 176.9400 73 L 3.9332 7.9368 120.9334 58.1812 41.7561 178.9573 74 A 3.6240 8.2114 120.5696 54.8656 18.1783 179.5186 75 K 4.0257 8.0677 117.6998 59.8553 32.3537 178.7873 76 E 3.9416 8.3462 118.9140 59.0375 29.4313 179.3184 77 R 3.4709 7.8629 119.0205 59.1713 29.8205 178.7216 78 V 3.1834 7.2477 116.5169 65.9443 31.6023 177.2728 79 Q 4.1370 8.0739 117.8962 59.2992 28.9479 177.8980 80 A 4.1457 8.0533 120.9916 55.0954 18.3799 179.1203 81 S 4.2224 7.2838 110.0964 59.2896 62.5815 175.1833 *83 R 4.4404 7.8447 124.0288 56.0435 31.3163 175.8413 84 P 4.1578 0.0000 0.0000 64.5393 31.5874 176.5569 85 I 4.8208 7.5808 108.7329 60.1457 39.3798 174.6363 86 A 5.3200 7.9474 122.9210 51.0706 22.3655 175.7453 87 V 4.6819 8.8655 118.3384 59.7914 35.0385 174.9249 88 S 4.2280 8.8010 118.1681 58.3147 62.4516 173.7622 89 S 4.6842 8.5281 121.2030 58.8310 64.1241 173.8047 90 F 4.8287 7.6819 120.4797 57.6448 43.0599 172.6629 91 S 5.0575 7.4692 118.1156 56.9273 65.9723 173.0837 92 S 4.5717 8.6871 115.1539 56.7690 66.7912 172.4686 93 I 5.0743 8.1249 120.5967 59.6053 40.9705 174.1138 94 S 4.6515 8.8195 122.2109 57.6538 67.2734 172.5014 95 I 4.6569 8.0637 119.9444 59.1682 40.0719 175.3085 96 Y 4.5886 8.6929 125.5290 58.3622 38.5749 175.6341 97 D 4.9865 9.3743 124.7480 53.8333 41.4618 176.4774 98 E 4.6064 9.1372 125.7706 56.8837 29.9020 178.3568 99 S 4.2454 8.6145 116.2152 61.1973 62.8146 174.7701 100 P 4.2876 0.0000 0.0000 65.3937 31.4071 177.8914 101 Y 4.0934 8.1357 115.2834 61.0042 37.7231 177.7268 102 N 4.7816 8.6078 116.8126 55.6669 38.6655 177.2739 103 A 4.2936 8.2274 123.7759 52.7082 19.4461 178.1096 *105 N 4.5370 8.2190 116.9197 54.7065 39.1900 176.8594 106 K 4.8761 8.6675 120.5975 52.5792 36.3601 178.1561 107 K 4.6522 8.3077 116.6370 55.3964 34.2741 177.0063 108 L 3.0792 8.5063 126.1305 58.1454 41.6838 178.4649 109 E 3.7527 7.9719 117.1998 59.4415 29.7877 177.9975 110 D 4.4899 8.0135 118.2510 57.5247 40.9826 178.6107 111 S 4.2170 7.8484 113.5331 61.4042 62.2194 176.1197 112 L 4.0459 7.7017 120.2762 56.8672 41.3711 178.6014 113 R 4.2794 7.3631 115.7407 55.6081 30.7978 176.7663 114 L 4.2287 7.0730 119.3330 53.4644 42.3147 175.1950 115 P 4.2550 0.0000 0.0000 62.3821 31.7244 174.8306 116 P 4.6705 0.0000 0.0000 62.6450 31.8519 176.1349 117 L 4.4134 8.9246 121.3196 53.9522 42.9356 177.2438 118 R 3.9227 8.5610 119.4646 59.0680 30.9944 175.6536 119 Y 5.4997 8.0858 114.9286 56.1253 42.0263 174.7957 120 F 5.2527 8.9369 122.7632 56.5108 43.0883 173.4486 121 V 4.6773 8.1408 125.3163 60.8655 34.4837 174.0067 122 A 4.8667 8.3302 128.4365 50.4031 22.6740 174.2517 123 Y 5.0795 7.5972 116.8385 56.0476 42.1056 173.1725 124 P 5.2651 0.0000 0.0000 61.7266 34.0253 174.9821 *126 S 4.7496 8.3675 115.4374 59.1183 64.5961 173.0590 127 K 5.3766 9.3104 119.8591 54.5429 35.4084 176.8901 128 T 4.2126 8.9996 112.9756 61.3580 69.6510 173.5323 129 P 4.5502 0.0000 0.0000 66.0320 32.0084 178.1857 130 D 4.5231 8.6160 117.0958 56.3209 39.6596 178.4181 131 W 3.7537 8.6436 129.5968 60.4138 30.5975 177.5527 132 Y 3.8482 7.6540 113.6374 60.2106 37.4151 176.6052 133 L 4.3334 7.3143 116.4766 54.8845 42.1063 177.1423 134 L 4.0398 6.9603 119.2155 53.8955 42.3417 177.2101 135 D 4.3663 8.4334 121.0636 54.8271 42.4917 177.6726 136 F 3.9328 8.9163 124.9444 61.6530 39.2316 176.8249 137 D 4.1962 8.1691 116.7519 57.8246 41.0346 178.1579 138 T 3.7282 7.6964 115.2918 66.7726 68.2654 176.5309 139 R 3.2706 7.1923 118.3401 58.9767 30.0333 178.7799 140 K 3.7707 7.2924 118.1521 59.0261 32.4654 178.3204 141 E 4.0908 7.9406 119.6833 59.2366 29.7286 180.0809 142 I 3.8116 7.5080 116.9515 62.4738 37.1798 177.5919 *144 H 4.8392 8.1658 119.5481 55.9932 30.6995 175.4270 145 E 3.9287 8.2127 118.9179 59.5858 29.7227 177.5554 146 H 4.3124 8.1289 116.6098 59.3852 30.1159 176.2467 147 I 3.6962 7.9420 118.2994 64.2218 36.9304 176.4484 148 K 3.9716 7.8448 122.2508 55.8595 29.7788 176.4927 *158 G 3.8957 7.6534 113.1222 44.9650 0.0000 170.7814 159 I 4.0273 7.8295 120.0823 60.8801 38.5855 175.6495 160 R 4.5226 9.1933 126.2834 54.4748 32.2933 174.8570 161 S 4.8056 8.3975 118.7462 56.6660 64.7347 172.8588 162 Y 4.9885 8.5993 123.5297 56.7634 41.7437 174.3998 163 T 4.7179 8.8403 121.9806 62.9993 70.2807 174.0432 164 T 5.3041 8.7238 115.7132 59.9861 72.2789 172.3493 165 Y 5.2885 8.9880 122.3665 55.1383 41.2913 176.1544 166 S 4.7738 8.7384 115.0832 57.7071 63.9587 173.6872 167 F 3.9948 8.4255 119.2559 60.3076 38.8305 176.1331 168 G 4.0336 9.1137 112.8285 45.8682 0.0000 173.5172 169 I 4.5330 7.6968 110.4014 59.8870 39.0326 174.6305 170 G 3.9968 7.3556 109.1321 45.5345 0.0000 173.3951 171 D 4.7393 8.5558 117.2393 54.4748 40.8394 176.2420 172 Q 4.6419 7.3408 115.4075 54.3731 32.0812 174.7955 173 E 3.4308 8.5110 117.7491 57.8942 30.6781 176.8089 174 F 5.3567 7.8410 116.0308 55.4871 44.0623 174.2477 175 V 4.4783 8.8365 121.1153 61.2301 34.2572 174.2256 176 V 4.5073 8.0085 128.1657 61.0131 33.7477 174.2908 177 L 4.6559 8.3712 127.2543 52.9459 45.2036 175.1161 178 Y 4.9952 8.0807 119.7436 56.2450 42.3524 173.9246 179 E 5.2637 9.2375 123.7554 54.8273 32.0706 175.1439 180 I 5.0078 8.5989 117.2628 58.6762 40.7161 174.4851 181 P 4.6239 0.0000 0.0000 64.2811 32.2960 176.2215 182 D 4.5796 7.7819 118.8552 51.9420 44.1027 175.0630 183 I 3.4740 8.0446 128.1213 64.3554 37.2696 178.1815 184 A 3.8418 7.8825 120.7219 55.0606 18.2501 179.1364 185 A 3.9115 8.3891 119.4045 55.2310 18.4318 179.6577 186 W 4.1458 8.2020 126.7099 60.6755 30.6780 178.0986 187 S 3.5885 8.1842 113.2607 61.2169 61.7541 176.4158 188 R 3.7288 7.8819 120.7867 59.0224 29.7882 179.0108 189 V 3.4147 7.7010 118.2007 66.3578 31.2154 178.2986 190 T 3.3464 6.8618 114.0196 66.2213 68.5418 175.8936 191 E 3.8754 7.9983 121.5296 59.1725 29.5819 178.8396 192 K 3.8578 7.8353 119.4693 59.4670 32.3271 178.5144 193 L 4.1394 7.8175 118.1411 56.6245 41.2767 179.2158 194 R 3.9467 7.3978 117.3748 58.6452 30.0134 177.7611 195 E 4.1769 7.8517 116.3258 56.1397 30.3842 176.7272 196 A 4.1807 7.4616 123.8791 51.7085 19.4218 178.5237 197 R 3.9537 9.2617 121.9254 59.5749 30.2119 179.1071 198 A 4.1503 8.3272 119.7822 55.8015 18.1442 179.7273 199 R 3.8553 8.1590 115.9710 58.9105 29.7717 179.0446 200 K 3.5106 7.3683 117.8965 58.8435 32.1500 177.3786 201 W 4.7513 7.9798 115.8506 56.5268 30.3568 175.8480 202 I 4.6853 7.4866 121.9728 60.4308 36.5670 175.1654 203 I 4.6316 8.6793 128.8443 59.6667 42.2037 175.6308 204 K 4.0825 8.6643 120.5655 55.9336 29.3545 175.4286 205 E 5.4593 7.3383 116.9705 55.7584 27.8681 177.2388 206 T 4.6623 7.2142 114.4937 61.2374 73.2669 172.7646 207 P 4.4280 0.0000 0.0000 62.4328 32.4556 174.9957 208 I 4.4143 7.9960 121.2132 60.3696 38.1814 175.0478 209 L 4.4831 8.8209 128.5209 53.3456 43.4915 175.5285 210 L 5.1327 8.5845 125.0051 53.1879 45.1097 175.1658 211 G 4.5464 9.4059 113.0584 44.3965 0.0000 171.2072 212 R 5.2298 9.0370 122.4321 53.7477 32.4727 174.8939 213 L 4.0805 9.0631 129.4113 55.8955 42.5421 176.6843 214 V 4.5251 7.9412 124.4760 59.8824 34.6104 175.0378 215 D 4.4529 8.7568 123.0706 53.8249 41.9844 177.0363 216 A 4.0209 8.9847 126.1985 55.5888 18.3701 179.8428 217 G 3.8592 8.0969 102.1352 47.3351 0.0000 174.1782 218 D 4.7073 8.1860 119.3111 54.6947 42.2725 178.1577 219 I 3.8445 7.4249 118.4102 64.0535 37.9433 177.5896 220 A 4.0874 8.0712 121.2498 55.2031 18.0622 179.6900 221 G 3.4355 7.8710 102.5778 47.8155 0.0000 175.4741 222 F 4.4989 7.4639 119.3662 60.3169 39.0584 177.4831 223 L 4.2321 8.0213 117.6396 56.2987 41.6634 177.0104 224 L 4.2139 7.7420 122.5780 54.6905 41.9578 176.0465 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 T 8.16 4.38 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 1.21 0.00 0.00 3 E 8.16 4.05 0.00 1.98 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 2.06 1.95 0.00 4 I 8.86 4.89 2.06 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 1.37 0.85 1.09 0.00 0.00 5 Y 9.30 4.89 0.00 3.17 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 6 T 9.05 5.27 4.18 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 0.80 0.00 0.00 7 S 8.77 5.45 0.00 3.02 3.57 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 8 V 8.19 5.11 2.40 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 1.24 0.00 0.00 1.09 0.00 0.00 9 L 9.60 5.63 0.00 2.20 1.87 1.34 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 S 9.27 5.49 0.00 3.94 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 11 Y 9.29 5.24 0.00 3.13 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 12 R 9.13 5.09 0.00 2.07 1.82 0.00 3.14 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 13 L 9.35 4.65 0.00 1.66 1.73 0.72 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.93 4.22 0.00 1.58 1.67 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.83 4.35 0.00 1.98 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 2.32 2.41 0.00 16 G 9.13 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 17 K 7.64 4.38 0.00 1.62 1.66 0.00 1.53 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.86 1.15 7.81 18 A 8.53 4.33 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 19 Y 8.77 4.27 0.00 2.95 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 20 S 8.94 4.54 0.00 4.07 4.03 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 21 D 8.59 4.37 0.00 2.72 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 22 A 8.08 4.00 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 23 D 8.03 4.37 0.00 3.17 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 24 T 8.04 3.91 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 1.20 0.00 0.00 25 R 8.23 3.93 0.00 2.01 1.99 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 26 S 8.10 4.09 0.00 3.94 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 0.00 27 L 7.98 4.14 0.00 1.75 1.90 0.98 1.08 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 28 D 8.00 4.55 0.00 2.69 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 29 R 7.98 4.16 0.00 2.02 1.90 0.00 3.21 0.00 0.00 3.17 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 *32 R 7.70 4.35 0.00 2.06 2.05 0.00 3.14 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 33 S 8.13 4.33 0.00 3.97 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 34 I 7.69 3.56 1.97 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 1.30 0.78 0.85 0.00 0.00 35 D 8.26 4.59 0.00 3.03 2.95 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0.00 1.91 1.96 0.00 3.15 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 114 L 7.07 4.23 0.00 1.83 1.66 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.26 0.00 2.06 2.03 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 116 P 0.00 4.67 0.00 2.13 1.74 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 117 L 8.92 4.41 0.00 1.73 1.73 1.02 0.83 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 0.00 118 R 8.56 3.92 0.00 1.70 1.60 0.00 2.97 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.18 0.00 119 Y 8.09 5.50 0.00 3.05 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 0.00 120 F 8.94 5.25 0.00 2.25 1.84 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 0.00 121 V 8.14 4.68 1.72 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 1.16 0.00 0.00 0.63 0.00 0.00 122 A 8.33 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 7.60 5.08 0.00 2.95 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 0.00 124 P 0.00 5.27 0.00 2.23 2.38 0.00 4.04 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 2.50 2.30 0.00 *126 S 8.37 4.75 0.00 3.90 3.95 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 0.00 127 K 9.31 5.38 0.00 1.72 1.57 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.19 1.49 7.81 128 T 9.00 4.21 4.69 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 1.33 0.00 0.00 129 P 0.00 4.55 0.00 2.34 2.30 0.00 3.78 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 130 D 8.62 4.52 0.00 3.16 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 0.00 131 W 8.64 3.75 0.00 3.16 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 0.00 132 Y 7.65 3.85 0.00 3.06 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 0.00 133 L 7.31 4.33 0.00 1.72 1.71 0.98 0.98 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 0.00 134 L 6.96 4.04 0.00 1.08 1.16 -0.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.43 4.37 0.00 2.59 2.57 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 0.00 136 F 8.92 3.93 0.00 3.03 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 0.00 137 D 8.17 4.20 0.00 2.76 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 0.00 138 T 7.70 3.73 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 1.09 0.00 0.00 139 R 7.19 3.27 0.00 1.34 1.40 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.59 0.00 140 K 7.29 3.77 0.00 1.28 1.65 0.00 1.74 0.00 0.00 1.39 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.08 1.12 7.81 141 E 7.94 4.09 0.00 2.05 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 2.32 2.35 0.00 142 I 7.51 3.81 2.06 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 1.70 0.94 1.19 0.00 0.00 *144 H 8.17 4.84 0.00 3.44 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.21 3.93 0.00 2.01 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 0.00 2.35 2.28 0.00 146 H 8.13 4.31 0.00 3.16 3.34 0.00 6.02 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.94 3.70 1.92 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 1.34 0.72 0.91 0.00 0.00 148 K 7.84 3.97 0.00 2.03 1.75 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.36 7.81 *158 G 7.65 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 0.00 0.00 0.00 0.00 159 I 7.83 4.03 1.93 0.00 0.00 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 1.35 0.63 0.92 0.00 0.00 160 R 9.19 4.52 0.00 1.77 1.72 0.00 3.24 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 161 S 8.40 4.81 0.00 3.98 3.65 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 0.00 0.00 0.00 162 Y 8.60 4.99 0.00 2.96 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 0.00 163 T 8.84 4.72 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 1.30 0.00 0.00 164 T 8.72 5.30 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 0.84 0.00 0.00 165 Y 8.99 5.29 0.00 3.14 3.32 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 0.00 166 S 8.74 4.77 0.00 3.83 4.04 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 0.00 167 F 8.43 3.99 0.00 3.10 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 0.00 168 G 9.11 4.03 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 0.00 0.00 0.00 169 I 7.70 4.53 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.97 0.00 0.00 170 G 7.36 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 0.00 171 D 8.56 4.74 0.00 2.68 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 0.00 172 Q 7.34 4.64 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.95 0.00 0.00 0.00 0.00 0.00 2.20 2.64 0.00 173 E 8.51 3.43 0.00 1.57 1.12 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 1.86 2.10 0.00 174 F 7.84 5.36 0.00 2.87 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 0.00 175 V 8.84 4.48 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 0.90 0.00 0.00 0.96 0.00 0.00 176 V 8.01 4.51 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 0.50 0.00 0.00 0.76 0.00 0.00 177 L 8.37 4.66 0.00 1.52 0.99 0.84 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 178 Y 8.08 5.00 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 E 9.24 5.26 0.00 2.06 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 2.64 2.68 0.00 180 I 8.60 5.01 1.75 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.81 0.11 0.00 0.00 181 P 0.00 4.62 0.00 2.28 2.28 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 182 D 7.78 4.58 0.00 2.74 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 0.00 183 I 8.04 3.47 1.52 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.36 0.63 0.00 0.00 184 A 7.88 3.84 1.25 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 0.00 0.00 185 A 8.39 3.91 1.40 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 0.00 0.00 0.00 186 W 8.20 4.15 0.00 3.32 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 0.00 187 S 8.18 3.59 0.00 3.75 3.79 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 0.00 188 R 7.88 3.73 0.00 1.95 1.86 0.00 3.12 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 189 V 7.70 3.41 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 0.86 0.00 0.00 0.95 0.00 0.00 190 T 6.86 3.35 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 0.80 0.00 0.00 191 E 8.00 3.88 0.00 1.93 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 2.19 2.20 0.00 192 K 7.84 3.86 0.00 1.82 1.84 0.00 1.51 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.45 7.81 193 L 7.82 4.14 0.00 1.74 1.65 0.82 0.78 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 0.00 194 R 7.40 3.95 0.00 1.90 1.91 0.00 3.21 0.00 0.00 3.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 195 E 7.85 4.18 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 196 A 7.46 4.18 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 0.00 197 R 9.26 3.95 0.00 2.11 2.26 0.00 3.29 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 198 A 8.33 4.15 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 0.00 199 R 8.16 3.86 0.00 1.85 1.91 0.00 3.25 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 200 K 7.37 3.51 0.00 1.01 0.74 0.00 0.61 0.00 0.00 1.31 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.98 1.14 7.81 201 W 7.98 4.75 0.00 3.12 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 0.00 202 I 7.49 4.69 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.44 0.94 0.00 0.00 203 I 8.68 4.63 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.05 0.95 0.00 0.00 204 K 8.66 4.08 0.00 1.91 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.01 7.81 205 E 7.34 5.46 0.00 1.95 1.71 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 2.55 2.42 0.00 206 T 7.21 4.66 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 207 P 0.00 4.43 0.00 2.07 2.12 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.88 0.00 208 I 8.00 4.41 1.76 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.51 0.86 0.00 0.00 209 L 8.82 4.48 0.00 1.39 1.51 0.62 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 210 L 8.58 5.13 0.00 1.65 1.46 0.84 0.39 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 0.00 211 G 9.41 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 0.00 212 R 9.04 5.23 0.00 2.17 1.80 0.00 2.99 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 213 L 9.06 4.08 0.00 1.72 1.47 0.40 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 214 V 7.94 4.53 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 0.70 0.00 0.00 1.07 0.00 0.00 215 D 8.76 4.45 0.00 2.94 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 0.00 216 A 8.98 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 G 8.10 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 0.00 0.00 0.00 218 D 8.19 4.71 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 0.00 219 I 7.42 3.84 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.26 1.05 0.00 0.00 220 A 8.07 4.09 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 0.00 221 G 7.87 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 0.00 0.00 0.00 222 F 7.46 4.50 0.00 3.12 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 0.00 223 L 8.02 4.23 0.00 1.58 1.65 0.91 0.79 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 0.00 224 L 7.74 4.21 0.00 1.63 1.43 0.72 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.