NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3912 8.3193 115.2921 58.0466 64.1253 173.2488 4 T 4.6457 7.6755 107.1177 58.9089 71.9291 167.3055 5 V 4.5069 9.7836 123.2191 61.0173 34.6987 176.1473 6 S 4.9627 8.7606 123.4411 58.7853 63.7207 173.4546 7 T 5.2001 8.6280 113.0135 58.6656 71.2689 173.9802 8 L 4.0165 8.5366 119.8546 56.9206 41.5640 177.4770 9 Y 4.6534 9.1052 114.0482 56.4003 40.7344 177.5718 10 G 4.0648 6.8307 107.4130 46.1177 0.0000 170.7559 11 E 5.2667 8.5256 122.4799 54.7282 32.8573 175.8677 12 V 4.7404 8.7721 115.8069 59.1821 36.7245 174.8410 13 E 4.3095 8.7273 121.6725 55.9237 30.0383 176.5054 14 P 4.2747 0.0000 0.0000 65.9661 31.3293 179.1230 15 S 4.1296 8.0388 112.4061 60.9673 63.0250 176.2757 16 L 3.9285 7.8524 124.2897 58.0839 41.8596 178.7831 17 L 4.0222 7.8960 118.4915 57.8025 41.3299 179.0207 18 E 3.9295 8.2810 118.6786 59.1295 29.9066 178.6031 19 I 3.8242 7.9846 119.7558 64.4546 37.3617 178.0977 20 A 3.9670 8.4449 121.8306 55.1989 17.9142 179.4492 21 K 3.9304 8.1007 117.3832 58.7131 32.1744 177.4140 22 Q 4.5719 7.3960 113.9766 55.5460 28.8258 175.4355 23 I 4.0308 7.5217 119.7480 62.0456 37.5293 175.9384 24 K 4.6434 9.2793 122.9400 55.9880 34.5868 175.5150 25 L 5.0534 7.7378 122.7056 53.4483 45.9078 173.8745 26 L 5.0763 9.2881 128.7695 53.4459 44.7110 174.7627 27 I 5.0742 8.8073 127.7200 59.8611 39.9542 174.6245 28 C 4.8746 8.7182 123.1246 57.7750 31.8728 173.5876 29 D 5.2147 8.3694 122.3819 53.8447 42.5781 175.7522 30 V 4.4120 8.4668 116.8855 64.5197 33.4055 174.8194 31 D 4.6627 7.9308 119.1123 55.4369 41.3057 177.2495 32 G 4.0265 9.1591 111.4602 46.4249 0.0000 173.6461 33 V 4.1592 7.4835 116.3469 64.4060 34.4922 177.5528 34 F 4.1793 8.2069 117.9211 59.6741 39.1452 176.2715 35 S 5.4323 8.0253 113.9483 56.0082 64.5377 173.9758 36 D 4.8600 7.7272 117.5612 53.2574 38.8143 177.6384 37 G 3.9446 7.8613 107.0616 45.6607 0.0000 173.7417 38 L 4.5000 7.8625 119.0784 53.1106 43.3849 175.8056 39 I 4.5352 7.9148 121.8100 59.9673 39.0714 175.1406 40 Y 4.2555 8.8568 124.9811 56.9812 40.3494 174.9712 *42 G 4.0751 8.3106 107.5519 46.1501 0.0000 173.7001 43 N 4.6027 8.9090 116.3593 55.4720 38.6763 176.2981 44 Q 4.4719 8.4189 116.6783 55.6603 29.0055 176.3863 45 G 3.9290 8.0507 104.0991 45.9016 0.0000 174.6279 46 E 4.1031 7.9898 118.1477 56.6590 29.9937 176.0757 47 E 5.0241 8.4770 121.7946 54.8821 32.9148 174.1635 48 L 4.9939 9.2319 126.3021 52.9398 45.5466 175.2838 49 K 5.0103 8.4065 120.9089 55.1111 35.7536 175.4780 50 T 4.5030 8.2274 114.6871 60.1012 70.9406 173.5004 51 F 5.2981 8.2716 119.9098 55.4426 43.3904 174.0945 52 H 4.9820 8.7396 120.9633 54.4594 33.2973 175.0704 53 T 4.0686 8.2670 117.8948 64.8096 68.9361 176.9015 54 R 4.2155 8.2807 120.2799 58.6633 30.1682 178.3862 55 D 4.5476 8.3696 119.0529 57.1236 41.0056 178.5264 56 G 3.7650 8.1545 105.8773 48.1080 0.0000 175.0490 57 Y 4.1190 8.1263 121.9033 60.2469 38.7502 178.3091 58 G 3.6911 8.2302 106.4282 47.8786 0.0000 175.8005 59 V 3.6429 7.8660 119.8357 65.6642 31.6327 177.9560 60 K 4.0461 7.7746 116.8457 59.3330 32.2490 178.8773 61 A 4.0367 7.8198 121.0717 54.7769 18.3374 179.8671 62 L 4.0932 7.9827 116.0344 56.1251 41.7013 178.3398 *64 N 4.5888 8.1603 116.1468 52.6776 40.3175 175.3209 65 A 4.1260 7.6409 118.1648 52.7141 18.7858 177.9620 66 G 4.0412 8.3810 103.8095 44.7610 0.0000 173.2479 67 I 4.3548 7.2452 120.0580 59.9446 38.4649 175.6241 68 E 4.3779 9.0016 126.4234 56.1011 30.9545 175.6048 69 I 5.1507 8.3614 123.1036 59.5756 39.9680 174.7630 70 A 5.0821 9.0084 127.2000 50.2399 23.2069 174.5284 71 I 4.9896 8.8406 120.2289 59.5811 40.5141 175.0131 72 I 5.1787 8.5973 126.2950 59.9618 40.5163 174.3566 73 T 4.9486 8.5819 121.7510 59.0482 70.4462 175.1439 74 G 3.8730 8.8711 115.3715 47.9841 0.0000 174.2099 75 R 4.4316 7.7792 118.2396 55.0695 31.3595 175.0819 76 R 4.9943 8.3331 119.9619 54.6118 32.1059 175.8966 77 S 4.5805 9.1751 118.7963 55.9278 65.8152 174.5298 78 Q 4.0039 8.7918 129.7800 58.9824 28.9499 177.7898 79 I 3.7019 7.8956 120.7652 64.5650 36.9500 178.2268 80 V 3.6624 7.4814 116.8338 65.9355 31.4502 177.3112 81 E 4.0270 7.8031 117.2014 59.6004 29.6921 178.4296 82 N 4.3857 8.1959 116.7165 56.8394 38.9581 177.6490 83 R 3.7615 7.5943 117.0527 56.8011 29.9430 178.0068 *85 K 4.1306 8.0722 118.3795 55.8526 34.0601 178.1238 86 A 3.9702 7.8870 120.6166 55.0485 18.2995 178.5393 87 L 4.0244 7.5773 114.0682 56.0533 41.8801 178.1216 88 G 3.8966 7.9434 106.7171 45.2455 0.0000 173.1246 89 I 4.1746 7.3666 120.2587 60.2311 37.9390 175.7441 90 S 4.5748 8.6028 118.3713 58.4378 64.9207 174.3865 91 L 4.4958 7.6566 121.8314 53.2441 41.0596 173.7437 92 I 4.7132 7.9106 121.7724 59.5049 39.8688 174.3669 93 Y 4.5163 9.5214 126.3940 56.5718 39.7343 175.1669 94 Q 4.9917 8.6296 122.5424 53.7662 32.5670 175.2849 95 G 3.9743 8.3588 106.1861 46.7338 0.0000 174.5240 96 Q 4.3767 8.1051 120.7750 53.8590 27.7716 176.4445 97 D 4.3269 8.2073 122.9783 56.3298 39.8220 177.7400 98 D 4.5979 7.6690 125.0603 52.0569 39.9212 176.6697 99 K 3.9481 8.3097 124.6359 59.0299 32.1772 178.5709 100 V 3.3699 7.6409 118.0651 65.7238 31.4661 177.7615 101 Q 3.9036 8.2142 119.2068 58.8923 28.9201 177.8040 102 A 3.8001 7.6230 121.6881 55.3483 18.3241 178.8738 103 Y 3.9520 7.8305 117.7829 61.0645 38.8329 177.8834 104 Y 4.1880 7.9787 117.8356 61.3009 37.9931 178.5675 105 D 4.3522 8.1398 119.5560 57.3250 40.9054 178.7845 106 I 3.5917 7.4762 120.2017 64.5830 37.0604 177.7947 107 C 3.8393 7.7525 119.4351 62.5418 31.0007 175.5823 108 Q 3.8282 7.7962 119.6500 59.1027 28.8185 176.9390 109 K 4.0172 8.3301 119.9669 59.1999 32.2599 177.4016 110 L 4.2032 8.0776 115.8141 54.1624 42.4796 176.0248 111 A 3.7834 7.3768 120.7327 53.5615 16.4322 177.2483 112 I 4.4516 7.4103 119.5979 59.5813 40.4036 176.4524 113 A 4.3447 8.3739 127.8732 50.7693 19.4497 176.3095 114 P 4.4445 0.0000 0.0000 65.9592 31.3070 178.6634 115 E 4.0581 8.2722 117.2001 58.7241 29.7330 177.2320 116 Q 4.7237 8.2860 117.1528 55.7811 30.2926 175.1615 117 T 5.1868 8.0990 116.0075 61.7929 72.1220 173.4321 118 G 4.5890 9.0665 111.1975 44.7477 0.0000 170.9098 119 Y 5.2867 9.1279 120.8711 55.8296 42.9774 173.6980 120 I 4.9521 8.2251 126.8707 59.6782 40.1312 174.9752 121 G 4.8391 9.3427 113.8101 44.7601 0.0000 171.8667 122 D 5.0849 9.6848 115.4206 52.6340 41.8743 174.5690 123 D 4.8453 8.2122 117.7853 51.4604 44.9734 175.3422 124 L 4.0891 8.5029 120.5949 57.7626 41.1678 179.5931 125 I 3.7933 7.7179 111.2218 63.3620 37.9048 177.1989 126 D 4.4576 8.2880 120.7076 56.1044 40.5430 178.2201 127 W 4.3557 8.1130 129.1554 59.9322 30.7420 175.6935 128 P 4.0839 0.0000 0.0000 65.1233 31.0182 177.3183 129 V 3.3249 6.7918 116.0079 62.9497 31.0460 177.2727 *131 E 3.4847 8.1767 116.9303 54.9949 30.9787 176.6190 132 K 3.9442 7.2790 117.8911 57.5720 32.4090 176.9729 133 V 4.4244 7.0172 110.5877 59.2528 34.1210 175.5650 134 A 4.0726 8.4208 123.8432 54.1694 18.7096 177.4436 135 L 4.5663 7.8197 119.0624 53.7105 44.2551 175.8366 136 R 4.8302 9.8281 127.6060 54.6196 31.9301 174.6645 137 V 5.5907 8.9548 124.7316 60.4842 34.0657 173.8012 138 C 5.3113 8.4677 127.2471 57.4774 34.3086 173.5091 139 V 4.0702 8.2684 118.0610 61.0375 32.1117 177.0549 140 A 3.9722 8.5745 125.8521 54.3383 18.1441 179.0601 141 D 4.8270 7.8124 112.5184 52.9882 39.8667 176.6902 142 G 3.8261 7.7637 109.2796 45.6293 0.0000 173.5974 143 H 4.1111 9.1708 119.8674 55.4436 30.4016 174.5414 144 P 4.1559 0.0000 0.0000 65.8699 30.7750 178.7989 145 L 3.9009 7.7527 117.8430 57.4458 41.8917 178.6442 146 L 3.8838 7.8713 119.6707 57.9970 41.8261 178.4954 147 A 3.9820 8.1840 121.2238 55.1931 18.0640 179.1865 148 Q 4.0816 7.8025 113.9814 58.0660 29.0390 177.6002 149 R 4.0577 7.3921 118.4021 55.7104 30.9919 176.5011 150 A 4.4478 6.9001 120.6916 52.1174 18.9455 176.9526 151 N 4.8821 8.6627 117.3502 53.4702 38.6525 174.6044 152 Y 4.7919 7.7867 121.5566 56.3701 42.5199 173.1457 153 V 4.7494 7.7066 126.6883 60.9533 33.5244 175.3809 154 T 3.8199 8.3115 118.4171 62.0077 69.5668 175.4165 155 H 4.3178 9.3576 120.8028 58.3424 29.2479 176.7190 156 I 4.0897 8.0716 119.9482 60.3379 37.9562 176.1872 157 K 4.1572 8.4713 123.5887 55.6720 32.4833 176.7277 158 G 4.1156 8.3084 109.8602 46.8901 0.0000 174.7558 159 G 4.3003 8.8977 111.9913 44.0198 0.0000 173.3806 160 H 4.6734 8.3277 114.0946 55.3087 30.2785 173.6605 161 G 3.9057 8.4651 106.5617 45.4679 0.0000 176.1949 162 A 3.8469 8.2121 123.3718 54.9494 18.2784 180.1616 163 V 3.2926 7.4583 116.2093 66.0685 31.6116 177.8879 164 R 3.8747 8.5548 118.8619 59.5391 29.8480 177.9416 165 E 3.5607 8.1194 119.0516 59.1652 29.4888 179.0857 166 V 3.5066 7.5646 117.9975 65.9951 31.5139 177.6336 167 C 4.0545 8.2648 116.7617 63.2013 27.9767 176.0163 168 D 4.4189 8.5543 120.7092 57.0097 40.3955 178.4944 169 L 3.8914 7.8498 121.0217 58.2058 42.1867 179.2362 170 I 3.6806 7.6334 119.5476 64.4304 37.0114 178.4699 171 L 4.0143 8.2211 120.2043 57.7191 41.3328 179.3681 172 Q 3.9292 8.6965 119.6204 59.2570 28.8394 178.1798 173 A 4.0695 7.8762 120.3035 54.6717 18.3850 178.7574 174 R 4.2801 7.5660 113.5603 54.8251 31.1028 175.6849 175 N 4.2340 8.1584 116.5196 54.9358 37.5890 173.5543 176 E 4.8433 8.4492 111.4910 55.9798 31.3877 178.8180 177 L 4.1039 8.3241 121.1379 57.5789 42.4102 177.5659 178 D 4.7930 7.3627 113.0921 52.4954 41.1203 175.0845 179 V 3.9372 7.6428 122.5493 62.8951 31.5503 175.1899 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 3 S 8.32 4.39 0.00 3.86 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 4 T 7.68 4.65 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 1.24 0.00 0.00 5 V 9.78 4.51 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 1.06 0.00 0.00 0.95 0.00 0.00 6 S 8.76 4.96 0.00 3.81 3.78 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 7 T 8.63 5.20 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 1.29 0.00 0.00 8 L 8.54 4.02 0.00 1.22 1.22 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 9.11 4.65 0.00 2.96 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 10 G 6.83 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 0.00 0.00 0.00 11 E 8.53 5.27 0.00 1.87 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 2.23 2.27 0.00 12 V 8.77 4.74 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.03 0.00 0.00 13 E 8.73 4.31 0.00 1.93 1.90 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 2.44 2.33 0.00 14 P 0.00 4.27 0.00 2.16 2.13 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 15 S 8.04 4.13 0.00 4.06 4.14 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 16 L 7.85 3.93 0.00 1.84 1.84 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.90 4.02 0.00 1.89 1.70 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.28 3.93 0.00 1.95 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 0.00 2.33 2.35 0.00 19 I 7.98 3.82 2.02 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 1.47 0.93 0.97 0.00 0.00 20 A 8.44 3.97 1.30 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 0.00 0.00 21 K 8.10 3.93 0.00 1.90 2.00 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.55 7.81 22 Q 7.40 4.57 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.63 0.00 23 I 7.52 4.03 1.95 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 1.58 0.80 0.98 0.00 0.00 24 K 9.28 4.64 0.00 1.60 1.79 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.49 7.81 25 L 7.74 5.05 0.00 1.74 1.50 1.00 0.53 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 26 L 9.29 5.08 0.00 1.74 1.49 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.81 5.07 1.94 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.62 0.98 0.00 0.00 28 C 8.72 4.87 0.00 3.09 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.37 5.21 0.00 3.04 2.65 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 30 V 8.47 4.41 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 1.12 0.00 0.00 1.01 0.00 0.00 31 D 7.93 4.66 0.00 2.75 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 32 G 9.16 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 33 V 7.48 4.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.02 0.00 0.00 34 F 8.21 4.18 0.00 3.37 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 35 S 8.03 5.43 0.00 3.85 3.78 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 36 D 7.73 4.86 0.00 2.92 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 37 G 7.86 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 38 L 7.86 4.50 0.00 1.58 1.12 0.74 0.45 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 39 I 7.91 4.54 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.48 0.99 0.00 0.00 40 Y 8.86 4.26 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 G 8.31 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.91 4.60 0.00 2.74 2.91 0.00 0.00 6.80 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.42 4.47 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.17 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 45 G 8.05 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 0.00 0.00 0.00 46 E 7.99 4.10 0.00 1.98 1.94 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 2.33 2.38 0.00 47 E 8.48 5.02 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 2.25 2.39 0.00 48 L 9.23 4.99 0.00 1.44 1.36 0.79 0.42 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 49 K 8.41 5.01 0.00 1.71 1.56 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.93 1.34 7.81 50 T 8.23 4.50 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 51 F 8.27 5.30 0.00 3.05 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 52 H 8.74 4.98 0.00 3.38 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.27 4.07 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 1.23 0.00 0.00 54 R 8.28 4.22 0.00 2.04 2.13 0.00 3.19 0.00 0.00 3.38 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 55 D 8.37 4.55 0.00 3.08 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 56 G 8.15 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 0.00 0.00 0.00 57 Y 8.13 4.12 0.00 3.09 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 58 G 8.23 3.69 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 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 77 S 9.18 4.58 0.00 3.90 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 78 Q 8.79 4.00 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 79 I 7.90 3.70 1.98 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 1.58 0.69 1.12 0.00 0.00 80 V 7.48 3.66 2.30 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 0.85 0.00 0.00 1.10 0.00 0.00 81 E 7.80 4.03 0.00 2.16 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 2.48 2.60 0.00 82 N 8.20 4.39 0.00 2.77 2.97 0.00 0.00 6.96 7.61 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 83 R 7.59 3.76 0.00 1.26 1.12 0.00 2.83 0.00 0.00 2.55 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 *85 K 8.07 4.13 0.00 1.97 1.82 0.00 1.69 0.00 0.00 1.92 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.34 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 95 G 8.36 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 96 Q 8.11 4.38 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 97 D 8.21 4.33 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.67 4.60 0.00 2.74 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 99 K 8.31 3.95 0.00 1.78 1.79 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.23 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.53 7.81 100 V 7.64 3.37 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 0.44 0.00 0.00 0.73 0.00 0.00 101 Q 8.21 3.90 0.00 2.49 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 102 A 7.62 3.80 1.31 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 0.00 111 A 7.38 3.78 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 0.00 112 I 7.41 4.45 1.88 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 1.35 0.92 0.94 0.00 0.00 113 A 8.37 4.34 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 0.00 114 P 0.00 4.44 0.00 2.37 2.56 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 115 E 8.27 4.06 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 2.33 2.41 0.00 116 Q 8.29 4.72 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.64 0.00 117 T 8.10 5.19 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 1.38 0.00 0.00 118 G 9.07 4.59 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 0.00 119 Y 9.13 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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 0.00 0.00 0.00 0.00 128 P 0.00 4.08 0.00 1.90 1.97 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 129 V 6.79 3.32 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.74 0.00 0.00 *131 E 8.18 3.48 0.00 1.42 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 1.75 1.91 0.00 132 K 7.28 3.94 0.00 1.35 1.73 0.00 1.53 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.21 7.81 133 V 7.02 4.42 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.94 0.00 0.00 134 A 8.42 4.07 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 0.00 135 L 7.82 4.57 0.00 1.77 1.57 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 136 R 9.83 4.83 0.00 1.96 2.03 0.00 3.16 0.00 0.00 3.07 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 137 V 8.95 5.59 2.28 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 1.33 0.00 0.00 1.07 0.00 0.00 138 C 8.47 5.31 0.00 3.05 2.71 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 0.00 139 V 8.27 4.07 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 0.57 0.00 0.00 1.00 0.00 0.00 140 A 8.57 3.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 7.81 4.83 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.76 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 0.00 0.00 0.00 143 H 9.17 4.11 0.00 3.12 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.16 0.00 2.19 2.19 0.00 3.15 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.91 0.00 145 L 7.75 3.90 0.00 1.73 1.72 0.86 0.82 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 0.00 146 L 7.87 3.88 0.00 1.76 1.77 1.14 1.24 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 0.00 147 A 8.18 3.98 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 0.00 148 Q 7.80 4.08 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.25 0.00 149 R 7.39 4.06 0.00 1.15 0.66 0.00 2.21 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.21 0.00 150 A 6.90 4.45 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 0.00 151 N 8.66 4.88 0.00 2.81 3.02 0.00 0.00 6.62 7.30 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 0.00 152 Y 7.79 4.79 0.00 3.03 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 0.00 153 V 7.71 4.75 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 0.72 0.00 0.00 0.83 0.00 0.00 154 T 8.31 3.82 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 1.23 0.00 0.00 155 H 9.36 4.32 0.00 3.27 3.46 0.00 5.84 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.07 4.09 1.79 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 1.46 0.82 0.92 0.00 0.00 157 K 8.47 4.16 0.00 1.83 1.87 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.42 7.81 158 G 8.31 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 0.00 159 G 8.90 4.30 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 0.00 0.00 0.00 160 H 8.33 4.67 0.00 3.29 3.25 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 8.47 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.21 3.85 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 0.00 163 V 7.46 3.29 1.81 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 0.75 0.00 0.00 0.11 0.00 0.00 164 R 8.55 3.87 0.00 2.14 2.12 0.00 3.31 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.96 0.00 165 E 8.12 3.56 0.00 1.49 1.88 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 2.13 1.47 0.00 166 V 7.56 3.51 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 0.93 0.00 0.00 0.98 0.00 0.00 167 C 8.26 4.05 0.00 3.21 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 0.00 168 D 8.55 4.42 0.00 3.03 2.92 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 0.00 169 L 7.85 3.89 0.00 1.65 1.67 0.69 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.63 3.68 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.94 0.90 0.00 0.00 171 L 8.22 4.01 0.00 1.70 1.80 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 8.70 3.93 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 173 A 7.88 4.07 1.43 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 0.00 0.00 174 R 7.57 4.28 0.00 1.96 1.97 0.00 3.32 0.00 0.00 3.15 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 175 N 8.16 4.23 0.00 2.79 2.82 0.00 0.00 6.86 7.27 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 0.00 176 E 8.45 4.84 0.00 1.99 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 2.22 2.37 0.00 177 L 8.32 4.10 0.00 1.66 1.77 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 178 D 7.36 4.79 0.00 2.65 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 0.00 179 V 7.64 3.94 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 0.84 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.