NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Y 4.8779 8.1449 118.3789 57.9931 39.4851 175.5839 5 T 3.8238 8.1449 117.0600 61.5503 68.8644 170.1676 6 V 3.7938 9.2102 127.9022 60.9621 32.7725 174.0297 7 K 4.0916 8.2300 120.1188 56.9542 31.2040 175.0823 8 F 4.8193 9.2957 123.8678 60.3510 45.8851 175.4962 9 Q 2.5200 6.4925 114.7915 53.3885 29.0947 174.8422 10 P 4.4565 0.0000 0.0000 61.6056 33.4345 174.5660 11 D 5.3111 7.8675 117.5185 52.8733 43.4458 173.5284 12 P 4.2118 0.0000 0.0000 59.3327 33.4582 175.6719 13 I 4.0357 7.6380 122.8125 60.5440 39.1618 175.6458 14 D 4.3618 8.3641 123.4858 52.9824 40.9282 176.9949 15 K 2.0000 7.8039 126.0849 57.1359 32.1848 179.2201 16 K 3.5499 7.5452 120.2960 58.9058 32.0786 177.2962 17 G 4.1100 7.8275 105.4486 45.1065 0.0000 173.4349 18 W 5.5933 8.6652 121.0657 54.4967 31.1878 175.6711 19 S 4.8670 8.1267 111.8038 58.2848 63.8885 176.5978 20 V 4.3542 8.7600 125.3172 62.6547 30.4910 175.1304 21 I 4.0661 8.4156 129.2227 63.5535 38.5498 175.1815 22 D 4.6117 7.8964 119.2660 53.5415 44.3307 173.8752 23 F 4.8418 7.8110 117.2527 56.9765 40.3097 173.2802 24 N 4.7618 7.9051 114.4516 52.2749 38.3113 173.9499 25 N 4.8053 7.5207 117.3089 52.7251 42.1695 172.6778 26 C 4.8159 8.2483 122.3379 58.6044 34.5084 174.0207 27 C 3.6906 8.1013 120.9814 61.1596 29.0979 176.0853 28 T 3.8657 7.8113 109.3519 64.4657 68.0757 174.8057 29 Q 4.3582 7.8663 118.2195 56.8619 29.1615 176.0718 30 D 5.0048 7.6938 119.7539 53.3084 42.2783 175.7601 31 G 4.1211 8.9686 113.9281 46.1927 0.0000 174.2652 32 G 3.5912 8.8318 109.2343 48.1150 0.0000 176.0059 33 W 4.3674 8.1385 115.4161 58.3135 28.3849 176.5944 34 Y 3.7129 7.1143 117.8976 60.4582 37.5407 177.0193 35 L 4.4789 7.7064 116.7431 56.1944 40.7280 177.2144 36 N 4.8727 7.5164 114.8371 52.2157 38.6215 174.7867 *38 G 3.7427 7.6668 101.7890 45.4423 0.0000 171.7766 39 W 5.1396 7.4577 116.5161 55.3624 29.8463 176.8935 40 G 4.2093 7.7216 107.0217 44.3460 0.0000 174.6498 41 V 3.7403 8.1300 111.9761 63.7057 30.9742 178.4088 42 E 4.1080 8.2508 118.3066 59.1381 29.0766 178.5205 43 S 4.2589 7.7960 111.8050 60.2523 62.8881 175.3228 44 L 4.1662 7.9556 121.4565 56.2178 41.1762 177.8447 45 I 4.3230 6.9741 110.0368 60.4195 37.8734 175.3394 46 D 4.5109 8.0182 118.1900 53.7468 39.2436 176.5577 47 N 4.5444 8.5419 119.7108 53.2839 39.7172 173.7682 48 N 5.0574 7.4851 113.8517 50.2472 39.2809 173.5499 49 P 4.4381 0.0000 0.0000 64.0559 31.7991 178.6341 50 G 3.6057 8.0902 108.7264 48.3533 0.0000 174.2789 51 T 4.3045 7.3944 109.5644 60.9710 69.6910 173.6042 52 Q 4.8858 8.3245 119.8326 54.4927 32.8636 173.2366 53 W 4.9565 9.0639 130.1390 55.9043 33.2506 174.4683 54 L 4.1905 7.2922 127.1128 52.4952 44.2176 175.7535 55 C 3.9048 7.1826 121.1605 57.2447 30.6045 173.5413 56 R 3.6285 8.3677 120.5418 57.1037 30.0121 175.6610 57 W 4.3731 8.3574 133.8298 58.9406 32.2603 176.6808 58 D 4.5875 7.8550 117.1781 56.4692 40.3263 176.2133 59 V 4.1828 7.3471 117.4466 60.0686 32.2650 174.2460 60 K 3.8458 8.4895 125.9427 56.6574 32.2772 176.6397 61 E 4.6938 8.5081 123.5841 53.7703 31.4503 174.2704 62 P 4.4090 0.0000 0.0000 62.3950 32.1858 176.2003 63 L 3.8075 7.9120 120.1669 53.6919 42.3912 174.7086 64 P 4.5180 0.0000 0.0000 62.7152 32.9045 174.8635 65 Y 5.2277 7.8609 118.0696 57.1588 40.8045 174.2421 66 Y 4.6596 7.9459 118.0088 56.1848 41.8574 173.3838 67 F 4.8792 8.9722 118.1316 55.7530 44.2019 173.9987 68 V 4.5824 8.6597 120.8598 61.2766 34.4222 174.0635 69 F 5.4538 8.9333 127.1343 56.2012 41.3780 175.4470 70 D 4.9948 8.9057 123.9864 53.2850 43.6103 176.2281 *72 G 4.1054 8.7072 105.4334 45.2687 0.0000 173.0778 73 K 4.8316 7.8693 119.3856 53.6454 35.7448 175.0986 74 E 4.2978 8.4544 120.3024 57.5630 30.5704 175.5195 75 Y 4.4931 8.9620 118.6424 57.3716 43.1835 174.2280 76 T 5.6370 8.2589 108.1259 58.0540 67.7851 173.1536 77 L 4.2307 7.9266 125.9038 56.9804 42.7898 177.6710 78 F 4.9792 9.7697 121.0968 58.5742 42.1762 175.6275 79 R 5.1028 8.3457 115.5690 54.6018 34.5104 174.3960 80 F 5.5449 8.7849 122.3561 57.5183 43.2681 173.1274 81 G 4.2443 8.2505 111.6319 45.5538 0.0000 171.1428 82 F 5.1344 8.0400 114.3964 54.6538 42.1304 173.6749 83 A 5.1870 9.1768 119.8251 49.4433 22.1413 176.0020 84 N 4.8794 8.4196 119.8675 52.4589 39.5009 173.5534 85 P 4.8046 0.0000 0.0000 63.1428 32.4148 176.2077 86 V 4.6491 8.3396 119.8091 59.6914 35.2035 174.0548 87 A 4.2689 8.8199 124.4869 52.6394 18.5227 175.5493 88 P 4.6618 0.0000 0.0000 62.6963 31.5938 176.2984 89 A 4.2694 7.9665 120.6666 52.4018 18.5793 178.9217 90 A 4.2328 8.5601 123.1273 54.6694 19.1482 178.4207 91 H 4.8010 7.5721 111.9079 54.8229 30.2858 174.1221 92 V 4.0336 8.1264 115.6683 62.0048 32.2210 177.2017 93 W 4.5819 8.0830 115.1337 57.0133 28.7914 176.6234 94 A 3.8595 6.9854 120.9428 52.6008 18.8539 177.6544 95 G 4.2506 7.7609 106.0243 45.1206 0.0000 173.4171 96 T 4.9422 8.1045 112.5055 61.4008 70.7317 174.1477 97 S 4.4830 8.5712 117.9874 60.2519 62.8838 173.7156 98 K 4.7738 9.1834 123.7579 57.4461 35.0869 175.3559 99 A 4.5940 8.1222 119.6548 49.7802 23.1932 175.9499 100 G 3.2476 5.7757 105.6760 46.1480 0.0000 169.9347 101 Y 5.0942 6.6870 116.2626 55.8997 41.9717 174.3148 102 V 5.0370 9.0092 116.7750 60.9658 35.1727 173.6470 103 E 5.5676 9.3528 121.0287 54.8559 34.4014 174.3107 104 A 5.5049 8.8482 121.3350 50.8497 23.2263 174.8688 105 S 4.6583 8.6619 112.8551 57.1750 66.0851 174.1514 106 I 4.4620 8.1989 119.6935 60.2241 39.4842 175.0545 107 D 4.8173 7.4688 116.9356 52.4257 40.1619 175.3652 108 N 3.7168 8.4557 116.0533 54.3406 37.9029 174.0744 109 E 4.5466 7.7064 115.0791 55.5781 31.8609 175.3602 110 N 5.0080 7.8904 115.3498 51.0912 40.3321 174.5979 111 W 5.1212 8.8698 122.8842 54.8712 33.0596 175.4292 112 V 4.4535 8.5225 119.8624 59.9109 34.3986 174.1612 113 K 4.1753 8.9175 126.1159 56.8646 31.1106 176.0021 114 L 4.2482 8.7623 128.1068 57.3249 42.3400 177.1657 115 K 4.3457 7.5844 117.1769 56.3174 35.4500 173.0900 116 D 5.6306 8.9262 122.5041 52.4898 43.9291 175.5330 117 W 5.6554 8.8447 117.3386 55.9528 32.1127 173.5195 118 T 5.4135 8.9029 109.4308 60.7078 71.2309 172.6671 119 S 5.1349 9.2889 119.0401 56.1543 63.9887 172.5338 120 P 4.5799 0.0000 0.0000 65.4647 31.5028 176.0069 121 K 4.0466 7.4976 114.8879 54.9720 35.2039 175.0134 122 I 3.8912 7.6138 120.6036 62.4334 37.4078 176.3911 123 G 3.8107 9.3993 113.6348 46.6170 0.0000 173.4901 124 E 4.1094 8.4690 121.4215 54.8675 29.9206 174.6202 125 P 4.2344 0.0000 0.0000 65.4227 31.8058 175.1327 126 N 5.0860 7.5602 113.6201 51.7427 43.3337 174.2812 127 V 3.9804 8.1337 120.7916 61.8312 34.1185 173.4724 128 N 5.6268 8.1063 126.5029 50.4844 41.8721 173.3134 *130 D 4.5867 8.4608 117.8123 54.8536 42.0205 175.4933 131 V 4.4772 9.2392 124.0489 60.0765 34.0769 173.0739 132 P 4.3289 0.0000 0.0000 63.6586 31.8803 175.6814 133 A 3.7281 8.2841 128.2396 50.3638 17.8400 175.9477 134 T 4.6851 8.0310 115.2953 61.0523 71.6081 173.0369 135 Q 4.8527 8.7168 125.8410 55.2453 29.3896 174.8889 136 A 4.9580 8.9117 125.3898 50.3162 22.6891 175.9397 137 R 4.5187 8.9872 116.7344 55.7432 32.4834 174.9238 138 Y 5.2327 7.7723 115.4274 56.2034 41.9816 174.5942 139 I 5.2368 9.0256 123.0565 59.7377 41.6174 175.0309 140 R 5.4328 9.1971 124.4419 53.5505 32.3366 173.7451 141 F 5.0855 8.7954 129.0123 57.9355 41.5628 174.4407 142 V 4.3325 7.6409 123.9932 61.4678 34.9784 173.5221 143 I 4.2701 8.5651 130.1429 60.9669 38.0329 176.3512 144 T 3.9759 8.5737 124.4538 64.9562 70.0988 174.3931 145 D 4.9994 7.4848 119.1867 52.6949 44.9286 174.2925 146 T 5.1196 7.9794 117.6241 62.0067 73.0122 172.9319 147 Y 4.5253 9.1008 122.2753 56.5512 38.6657 174.3400 148 P 4.5194 0.0000 0.0000 63.3268 32.2494 175.3767 149 T 4.8706 7.8400 113.6707 61.5683 72.2508 175.0629 150 Y 4.2642 8.7027 121.4832 59.2702 37.9753 176.1271 151 D 4.7285 6.9511 120.1486 53.6680 40.6132 176.5322 152 G 3.6964 8.1561 109.3354 44.1080 0.0000 173.0769 153 L 4.1996 8.2405 120.5614 55.3888 40.6837 176.7449 154 R 4.4721 7.9289 123.3156 53.9771 33.9129 175.4630 155 V 5.5177 8.0056 119.0613 60.6668 34.5128 173.2968 156 S 4.9262 8.5344 116.0031 56.6903 67.2233 172.2526 157 L 4.8306 8.9551 122.2131 53.6690 44.6761 176.5504 158 G 3.6798 9.2998 114.9627 47.5699 0.0000 172.6469 159 E 4.7800 8.6368 120.1041 54.4982 34.1433 173.9672 160 V 4.1442 7.5734 122.3631 59.8604 33.3747 174.7995 161 Y 4.5053 8.3951 122.7014 56.1320 40.7015 174.4374 162 A 5.2362 7.5311 121.3752 50.2975 23.4925 174.9134 163 W 5.3035 9.4183 117.4026 54.6172 33.9145 174.2031 164 G 4.9518 9.1799 112.9222 44.0149 0.0000 172.5173 165 L 4.4738 8.8474 122.4968 54.7760 42.4794 175.6760 166 E 4.6543 8.4373 119.7402 54.5844 31.9700 175.1282 167 H 4.6235 8.0489 120.9467 54.6370 30.0504 174.3503 168 H 4.2561 8.5504 120.1606 57.2007 29.3175 172.9895 169 H 4.3561 7.9356 119.1762 53.4463 29.3067 175.4159 170 H 4.3753 7.9341 122.0040 56.2998 29.9467 174.8173 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 4 Y 8.14 4.88 0.00 3.08 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 5 T 8.14 3.82 4.45 0.00 0.00 0.00 0.00 0.00 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 6 V 9.21 3.79 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 0.75 0.00 0.00 0.95 0.00 0.00 7 K 8.23 4.09 0.00 1.78 1.88 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.49 7.81 8 F 9.30 4.82 0.00 2.90 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 9 Q 6.49 2.52 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.72 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 10 P 0.00 4.46 0.00 2.19 2.12 0.00 3.72 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 2.38 1.91 0.00 11 D 7.87 5.31 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 1.52 1.27 0.00 3.52 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.44 0.00 13 I 7.64 4.04 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.06 0.68 0.00 0.00 14 D 8.36 4.36 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.80 2.00 0.00 1.22 0.98 0.00 1.19 0.00 0.00 1.01 0.00 0.00 2.37 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.30 7.81 16 K 7.55 3.55 0.00 1.74 1.80 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.43 7.81 17 G 7.83 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 0.00 0.00 0.00 18 W 8.67 5.59 0.00 3.33 3.24 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 19 S 8.13 4.87 0.00 4.12 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 20 V 8.76 4.35 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 1.00 0.00 0.00 1.39 0.00 0.00 21 I 8.42 4.07 1.98 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 1.11 0.96 1.01 0.00 0.00 22 D 7.90 4.61 0.00 2.75 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 7.81 4.84 0.00 2.81 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 24 N 7.91 4.76 0.00 2.76 2.58 0.00 0.00 5.75 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 7.52 4.81 0.00 2.32 2.09 0.00 0.00 6.84 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 26 C 8.25 4.82 0.00 2.91 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 27 C 8.10 3.69 0.00 1.78 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.81 3.87 4.28 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 1.22 0.00 0.00 29 Q 7.87 4.36 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.64 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 30 D 7.69 5.00 0.00 2.79 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 31 G 8.97 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 32 G 8.83 3.59 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 0.00 33 W 8.14 4.37 0.00 3.42 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 34 Y 7.11 3.71 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 35 L 7.71 4.48 0.00 1.77 1.78 0.95 1.06 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 36 N 7.52 4.87 0.00 2.60 2.72 0.00 0.00 6.80 7.96 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 *38 G 7.67 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 39 W 7.46 5.14 0.00 3.37 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.72 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 41 V 8.13 3.74 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 0.30 0.00 0.00 0.96 0.00 0.00 42 E 8.25 4.11 0.00 2.01 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 2.45 2.36 0.00 43 S 7.80 4.26 0.00 3.97 4.13 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 44 L 7.96 4.17 0.00 1.70 1.41 0.70 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 45 I 6.97 4.32 1.77 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.85 0.00 0.00 46 D 8.02 4.51 0.00 2.77 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 47 N 8.54 4.54 0.00 2.73 2.99 0.00 0.00 6.86 8.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 7.49 5.06 0.00 2.93 2.85 0.00 0.00 6.81 7.64 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 49 P 0.00 4.44 0.00 2.23 2.15 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 50 G 8.09 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 0.00 0.00 0.00 51 T 7.39 4.30 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 1.35 0.00 0.00 52 Q 8.32 4.89 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.12 0.00 53 W 9.06 4.96 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 54 L 7.29 4.19 0.00 0.95 0.81 0.22 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 55 C 7.18 3.90 0.00 2.83 2.57 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 1.68 0.00 0.00 3.11 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.58 7.81 74 E 8.45 4.30 0.00 1.56 1.74 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 2.20 2.23 0.00 75 Y 8.96 4.49 0.00 2.77 2.86 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 76 T 8.26 5.64 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 1.32 0.00 0.00 77 L 7.93 4.23 0.00 1.62 1.81 1.06 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.77 4.98 0.00 3.22 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.35 5.10 0.00 1.72 1.47 0.00 2.50 0.00 0.00 2.55 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 80 F 8.78 5.54 0.00 3.28 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 81 G 8.25 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 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0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 133 A 8.28 3.73 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 0.00 134 T 8.03 4.69 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 1.32 0.00 0.00 135 Q 8.72 4.85 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 136 A 8.91 4.96 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 0.00 137 R 8.99 4.52 0.00 1.57 1.57 0.00 2.79 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 138 Y 7.77 5.23 0.00 2.75 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 0.00 139 I 9.03 5.24 2.25 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.74 0.98 0.00 0.00 140 R 9.20 5.43 0.00 1.08 1.52 0.00 2.38 0.00 0.00 2.25 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.33 0.00 141 F 8.80 5.09 0.00 3.64 3.33 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 0.00 142 V 7.64 4.33 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 0.00 0.00 0.50 0.00 0.00 0.46 0.00 0.00 143 I 8.57 4.27 1.80 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.85 1.02 0.00 0.00 144 T 8.57 3.98 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 1.09 0.00 0.00 145 D 7.48 5.00 0.00 2.58 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 0.00 0.00 0.00 0.00 146 T 7.98 5.12 4.19 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 1.34 0.00 0.00 147 Y 9.10 4.53 0.00 3.05 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 0.00 148 P 0.00 4.52 0.00 2.24 2.11 0.00 3.99 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 149 T 7.84 4.87 4.57 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 1.15 0.00 0.00 150 Y 8.70 4.26 0.00 3.06 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 0.00 151 D 6.95 4.73 0.00 2.36 2.33 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 0.00 152 G 8.16 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.24 4.20 0.00 1.53 1.56 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.93 4.47 0.00 1.49 1.26 0.00 2.21 0.00 0.00 2.50 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.00 155 V 8.01 5.52 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 1.14 0.00 0.00 1.29 0.00 0.00 156 S 8.53 4.93 0.00 3.75 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 0.00 157 L 8.96 4.83 0.00 2.21 1.60 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 158 G 9.30 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 0.00 0.00 0.00 159 E 8.64 4.78 0.00 1.71 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 1.47 2.11 0.00 160 V 7.57 4.14 1.55 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 0.17 0.00 0.00 0.33 0.00 0.00 161 Y 8.40 4.51 0.00 2.51 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 7.53 5.24 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 W 9.42 5.30 0.00 3.65 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 0.00 164 G 9.18 4.95 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 0.00 0.00 0.00 165 L 8.85 4.47 0.00 2.14 1.86 1.46 1.04 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 0.00 166 E 8.44 4.65 0.00 1.94 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 2.00 1.71 0.00 167 H 8.05 4.62 0.00 3.03 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 H 8.55 4.26 0.00 3.07 3.28 0.00 5.74 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 H 7.94 4.36 0.00 3.13 3.06 0.00 5.86 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 H 7.93 4.38 0.00 3.24 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.