NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Q 4.2828 8.3444 119.1371 54.7381 28.7556 173.0902 *10 R 4.0488 7.9785 122.8346 54.5170 31.2572 173.5362 11 P 4.3022 0.0000 0.0000 63.2891 31.9915 176.2628 12 E 4.4272 8.5867 118.6978 54.1994 31.2254 172.6343 13 L 4.2989 8.3324 124.9939 54.1069 41.6297 177.0037 14 T 4.1017 8.1373 118.1510 59.9482 67.8300 172.7424 *16 P 4.2099 0.0000 0.0000 61.5886 34.0360 175.0975 17 P 4.2020 0.0000 0.0000 65.9632 31.1578 178.7431 18 A 3.9738 7.9412 118.7339 55.3111 18.3846 179.3443 19 E 3.8591 8.1272 116.2615 59.6159 29.6606 179.4027 20 A 3.9740 8.2726 121.0308 54.9819 18.1598 179.3295 21 E 3.8910 8.2076 117.1815 59.1818 29.7535 178.5483 22 A 4.1024 7.7658 120.3455 54.8773 18.7111 179.0895 23 L 3.9131 7.7787 118.8321 58.1072 42.0616 180.1979 24 R 4.0346 7.7549 114.8839 56.7079 29.7570 178.3769 *26 A 4.3431 7.9564 123.8268 52.6103 20.4363 179.6797 27 Y 4.3275 8.2113 112.2895 61.1318 38.1928 177.5314 28 E 4.1967 8.4731 119.1215 59.3617 29.6972 178.2389 29 E 4.1042 8.1780 116.7785 58.5881 29.9904 177.2314 30 A 4.2937 7.7859 120.7790 51.9551 19.4787 176.4105 31 E 4.3294 8.9618 120.6616 57.3575 31.7576 175.8154 32 V 4.7271 8.2650 120.0226 61.0053 34.0326 174.5094 33 I 4.7737 8.7962 128.6327 59.2385 40.4452 174.0545 34 L 4.9236 8.5879 128.6289 53.1367 44.6773 174.7475 35 E 5.1605 9.2645 125.5063 54.7578 33.2553 174.4714 36 Y 4.7633 9.4660 121.8639 58.1922 39.9944 175.9136 37 G 4.4321 9.7646 113.3779 46.0186 0.0000 172.5006 38 S 5.0825 9.9474 117.4157 55.6455 66.9849 175.8274 39 G 4.5646 8.0172 110.6699 45.2764 0.0000 175.6542 40 G 3.7936 8.9003 111.9706 47.0758 0.0000 174.7934 41 S 4.2234 8.0788 115.8997 61.5924 63.0524 176.6369 42 T 3.9906 7.9056 119.3316 66.3221 68.0692 176.9219 43 V 3.6117 7.6798 119.8329 65.9310 31.3976 177.8657 44 V 3.6439 7.7088 116.7757 66.1770 31.5907 177.6165 45 A 4.2538 8.2593 120.1536 55.1232 18.2959 179.4521 46 A 4.0377 8.4196 119.4536 54.9489 18.2289 178.7851 47 E 4.3222 7.9166 114.2607 56.0243 30.3362 176.2659 48 L 4.6278 7.1604 120.1051 52.3892 43.2290 174.8131 49 P 4.5364 0.0000 0.0000 63.5667 32.1960 175.8237 50 G 3.8567 8.4401 106.8527 46.6332 0.0000 173.5564 51 K 4.7960 8.2128 118.6520 54.5620 35.2859 174.9840 52 H 5.0135 9.0160 123.2032 54.4364 32.2790 172.8055 53 V 4.7908 8.4240 125.7805 61.3139 34.6655 174.2706 54 T 5.0092 8.5212 123.4497 61.8467 72.5191 172.9985 55 S 4.9406 8.8496 121.7353 56.6446 66.5301 173.2914 56 V 4.3029 8.6438 126.3710 62.1452 32.8192 174.4819 57 E 5.2827 9.2267 128.5293 54.9225 32.2721 176.0505 58 S 4.8595 9.4525 120.2090 59.2148 64.2591 172.9109 59 D 4.7985 8.8648 121.2666 52.8178 41.3026 176.3699 60 R 3.2529 8.5426 127.8741 59.3221 29.8080 178.0358 61 A 3.9764 7.9104 118.8821 54.7585 18.5104 178.9604 62 W 4.4149 8.6242 126.1247 60.5317 30.8985 177.7144 63 A 4.1474 8.3420 120.3455 54.5327 19.3753 179.2887 64 R 4.0526 7.7933 118.1541 56.4533 26.1757 176.5827 *67 K 4.1677 7.8330 121.7973 56.0460 34.9187 178.4172 68 A 3.9626 8.1599 120.4924 54.8604 18.3485 179.3265 69 W 3.9018 8.1574 126.3562 60.7766 30.8115 177.9846 70 L 4.1082 7.9417 117.8046 57.2527 40.9707 179.0333 71 A 3.9667 7.8492 120.2289 54.7739 18.4255 179.1178 72 A 4.0943 7.5415 118.2212 53.5849 19.8562 177.7567 73 N 4.5917 7.0142 113.3025 50.6989 39.2458 172.4650 74 P 4.8229 0.0000 0.0000 60.9122 32.5980 174.9401 75 P 4.6730 0.0000 0.0000 62.3992 32.2396 175.9888 76 A 4.1971 8.9534 124.3338 51.8829 20.0287 176.6152 77 E 4.0448 8.6762 119.9827 57.8554 30.3731 178.0671 78 G 3.9581 9.1383 114.1824 45.7267 0.0000 172.7648 79 T 4.8479 7.5921 116.2755 61.7478 70.5135 173.7574 80 E 4.6575 8.9225 126.1300 54.2612 32.8954 174.5316 81 V 4.6799 8.3934 125.6605 61.1794 34.3601 174.0702 82 N 4.8819 9.2138 126.2007 51.5693 40.8928 173.7958 83 I 4.4605 8.3401 125.6597 60.4285 38.4456 176.0859 84 V 4.2398 8.9461 128.6121 60.2543 32.7487 173.7154 85 W 4.8527 8.8490 135.0000 57.9050 31.0909 174.9531 86 T 4.0321 8.6756 124.7241 61.2850 70.6633 173.3910 87 D 4.1989 7.8306 127.3795 54.0975 40.8593 175.3889 88 I 4.5732 8.6994 120.2684 60.4244 38.0602 176.0902 89 G 4.0775 8.6205 107.8900 44.6019 0.0000 171.9689 90 P 4.5203 0.0000 0.0000 62.7828 31.7997 176.0311 91 T 5.3076 8.4239 110.8609 59.9683 72.7792 175.4206 92 G 4.1340 8.5416 111.3510 45.4852 0.0000 175.1070 93 D 3.9691 8.6031 125.3809 54.9131 40.9632 176.1990 94 W 3.6429 8.7406 121.4541 57.7867 26.4500 174.7124 95 G 4.0457 7.8530 103.8386 46.8487 0.0000 173.6490 96 H 4.3017 8.1744 120.3980 54.0471 30.5116 173.0225 97 P 4.8924 0.0000 0.0000 62.9771 31.7557 176.9927 98 V 3.8827 8.5529 115.3843 63.3734 31.8564 175.6256 99 S 4.7144 7.7056 111.9032 57.5871 66.0174 173.2030 100 D 5.4724 8.8620 116.9568 53.6193 41.0014 178.4140 101 A 4.0782 8.0129 125.1457 55.4234 18.3501 180.8055 102 K 4.4770 7.8316 114.0710 55.9452 33.6794 178.7690 103 W 2.5571 7.6644 120.3170 59.4026 27.6209 177.1490 104 R 3.6231 6.8115 116.4485 57.5226 29.8368 177.6060 105 S 4.5871 7.7455 114.4405 58.5513 63.5275 175.3727 106 Y 4.4397 7.7096 121.1833 60.8382 37.6956 176.6984 107 P 4.2787 0.0000 0.0000 65.1518 31.3027 178.2032 108 D 4.3942 8.1729 118.2579 57.2498 40.3691 177.9550 109 Y 3.9666 7.7183 119.7751 60.2280 38.9901 176.0040 110 P 4.4756 0.0000 0.0000 65.3676 31.7478 177.3693 111 L 4.6550 8.1619 117.5550 56.0444 42.4182 178.6428 112 A 4.0630 8.2082 121.4187 55.0819 18.4152 179.9733 113 V 3.4699 7.8237 117.1193 64.6556 31.0963 178.1804 114 W 4.1914 7.9638 117.8438 58.1718 28.9093 176.8462 115 R 4.4377 7.6506 116.5400 55.6718 30.4447 176.0220 116 T 3.9245 7.7359 116.5407 62.2929 67.8919 174.0346 117 E 4.0752 8.5445 124.3499 57.4658 30.2197 176.1474 118 G 3.9484 8.9833 111.1651 44.5177 0.0000 173.0974 119 F 4.0033 7.6894 121.5889 58.3904 39.6375 174.7329 120 R 4.1712 7.2324 125.8490 53.8188 32.6769 174.8908 121 H 3.8627 8.3354 122.6958 55.4885 30.3624 173.2970 122 P 4.4402 0.0000 0.0000 62.7687 32.3425 175.5117 123 D 4.9484 8.9905 120.2563 55.2822 43.0925 177.1485 124 V 5.0382 7.6275 116.5875 59.7614 35.2621 174.8154 125 V 5.0192 9.1441 123.3102 61.0935 34.6702 173.6128 126 L 5.1115 9.0954 130.2404 53.5679 44.3723 175.1916 127 V 4.5577 9.1374 127.7547 61.3791 32.1089 175.4016 128 D 4.6106 9.0361 130.1189 52.6241 41.8722 175.4768 129 G 4.3326 8.4277 110.6746 45.1635 0.0000 175.8009 130 R 4.1900 9.1928 126.5012 54.2664 32.0074 175.1273 131 F 4.1322 7.4192 113.7235 57.1762 36.8848 178.2814 132 R 3.7254 8.0941 120.7134 59.5037 30.2391 178.5986 133 V 3.8328 8.1913 117.5349 66.1143 31.3815 178.0695 134 G 3.6951 8.2341 104.8801 48.1034 0.0000 175.3473 135 C 3.8714 8.3575 119.0941 62.1402 27.9605 176.0717 136 A 3.8903 7.8760 122.4556 55.1517 17.9500 179.7360 137 L 3.4044 7.9400 117.3197 57.6049 41.6244 179.3953 138 A 3.8704 8.1542 121.0465 55.5079 18.2317 179.9316 139 T 3.2052 7.7480 113.6753 66.5777 68.6849 176.8117 140 A 3.7912 7.4979 122.6100 54.9916 18.1243 179.2147 141 F 4.8233 7.4574 115.2964 58.3514 39.3130 177.3447 142 S 4.3201 6.9248 113.2296 58.0781 63.9215 174.8005 143 I 4.0520 6.6416 114.6647 61.0442 37.8301 175.9073 144 T 4.6023 8.8450 110.2190 61.4271 69.9651 173.6380 145 R 4.7322 7.6631 117.0095 53.7273 32.6108 172.7252 146 P 4.7844 0.0000 0.0000 63.1740 32.1050 176.1615 147 V 4.7986 8.7808 115.1687 59.9395 36.6541 174.5204 148 T 4.9200 8.4338 118.6117 62.7657 70.2082 173.7371 149 L 5.3252 9.1413 128.4443 53.3008 45.1250 174.7087 150 L 5.2749 9.4271 126.6732 53.0801 44.2576 175.1147 151 F 5.1520 9.6262 127.1772 56.3885 41.3543 173.8299 152 D 4.8496 8.9398 126.7976 54.3670 42.4280 175.3591 153 D 4.5091 8.8751 121.4288 55.6285 38.4292 175.8033 154 Y 3.8883 8.4078 124.5796 61.3099 39.0287 178.5519 155 S 4.1265 8.0491 114.6736 60.2526 62.7358 177.2378 156 Q 4.1374 7.6901 119.3642 59.1883 28.7429 176.4011 157 R 4.7310 7.8087 115.5668 55.2265 33.8018 175.5879 158 R 4.5408 8.3261 115.1129 56.1996 30.6075 177.2457 159 W 4.5471 8.1021 125.0715 60.1024 31.3317 177.4523 160 Q 3.9598 7.9086 116.9051 58.6771 28.3101 176.6791 161 H 4.6640 7.8927 115.8434 55.7613 28.5675 176.7170 162 Q 4.1320 7.7297 120.1183 57.9557 28.5428 178.0505 163 V 3.4036 7.7728 121.3366 66.2393 31.5650 177.5893 164 E 4.2884 8.1036 119.3084 58.3200 29.0263 178.6470 165 E 3.7059 7.4043 118.8619 58.6042 29.5851 177.9011 166 F 4.7680 7.8019 114.9575 57.8575 40.7066 176.8843 167 L 4.3429 8.0642 116.7918 55.0908 42.1349 177.6833 168 G 3.8118 8.2826 107.8195 44.2406 0.0000 171.9254 169 A 4.3322 8.4249 121.9467 51.3901 18.9941 175.8170 170 P 4.1621 0.0000 0.0000 61.8924 33.0938 176.2969 171 L 4.1373 8.0720 123.5878 54.4567 45.4617 175.3737 *173 I 3.9956 8.3458 117.4660 60.8661 38.2833 177.9031 174 G 3.7590 8.6695 119.9181 46.7882 0.0000 173.8106 175 R 4.2436 9.2665 123.3333 56.1114 29.8891 175.0041 176 L 5.0427 7.9262 122.0715 54.0285 43.3813 175.2500 177 A 4.5586 8.9069 128.1450 50.2442 21.1704 175.2329 178 A 5.0328 8.5691 125.3667 50.3027 21.2400 175.4224 179 F 4.9996 9.4836 121.9917 55.8657 42.2162 175.0187 180 Q 4.7689 8.8458 124.5094 55.0153 29.4951 174.3117 181 V 4.3847 9.1045 127.9317 61.4040 33.3497 174.5063 182 E 5.0915 8.5806 126.2824 53.6259 32.6216 174.0288 183 P 4.5719 0.0000 0.0000 62.9617 31.8424 175.7751 184 Q 4.9171 8.6449 122.7714 53.2307 31.7658 173.6746 185 P 4.3854 0.0000 0.0000 62.7186 32.6547 175.9799 186 I 3.2681 7.8379 122.3211 59.3338 37.5247 174.2690 187 P 4.3933 0.0000 0.0000 61.6540 31.8237 176.0213 188 P 4.1768 0.0000 0.0000 65.3728 31.4582 178.3352 189 G 3.7982 8.0242 104.9510 47.0955 0.0000 173.9901 190 S 4.6574 8.0456 115.7924 58.5525 63.4930 176.5736 191 L 4.1563 7.5211 120.1859 55.1488 41.0319 178.9127 *193 Q 4.2870 8.2481 121.6435 56.1679 30.7351 176.8173 194 L 4.0300 8.4199 118.3370 58.3140 42.1276 178.6366 195 I 3.9051 7.9005 118.8124 64.5496 37.0090 178.1497 196 R 4.2459 8.1569 119.1981 59.1908 29.7810 177.5594 197 T 4.8595 7.6964 109.0375 62.3104 69.5412 175.2326 *199 T 4.5817 7.6966 109.0082 62.3550 70.4027 173.4345 200 S 4.6148 7.9131 119.6213 56.4236 63.5387 172.6632 201 P 2.9700 0.0000 0.0000 61.8869 30.8363 176.8100 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 8 Q 8.34 4.28 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.46 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 *10 R 7.98 4.05 0.00 2.05 1.99 0.00 3.33 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 11 P 0.00 4.30 0.00 1.79 1.99 0.00 2.20 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.55 0.00 12 E 8.59 4.43 0.00 1.89 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 0.00 2.25 1.85 0.00 13 L 8.33 4.30 0.00 1.57 1.63 0.88 0.91 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 14 T 8.14 4.10 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 *16 P 0.00 4.21 0.00 2.39 2.07 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 17 P 0.00 4.20 0.00 2.15 2.10 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 18 A 7.94 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 19 E 8.13 3.86 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 20 A 8.27 3.97 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 21 E 8.21 3.89 0.00 2.03 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 0.00 2.31 2.31 0.00 22 A 7.77 4.10 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 23 L 7.78 3.91 0.00 1.63 1.65 0.63 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.75 4.03 0.00 2.01 1.92 0.00 3.19 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 *26 A 7.96 4.34 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.21 4.33 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 28 E 8.47 4.20 0.00 2.00 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 2.40 2.56 0.00 29 E 8.18 4.10 0.00 2.41 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 2.31 1.87 0.00 30 A 7.79 4.29 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 31 E 8.96 4.33 0.00 2.03 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 2.26 2.41 0.00 32 V 8.27 4.73 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 0.85 0.00 0.00 0.81 0.00 0.00 33 I 8.80 4.77 1.52 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.25 0.26 0.00 0.00 34 L 8.59 4.92 0.00 1.40 1.28 0.41 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.26 5.16 0.00 1.86 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 2.33 2.21 0.00 36 Y 9.47 4.76 0.00 2.89 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 37 G 9.76 4.43 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 0.00 38 S 9.95 5.08 0.00 4.05 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 39 G 8.02 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 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 0.00 0.00 0.00 41 S 8.08 4.22 0.00 4.24 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.91 3.99 4.37 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 1.23 0.00 0.00 43 V 7.68 3.61 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 1.05 0.00 0.00 0.19 0.00 0.00 44 V 7.71 3.64 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.93 0.00 0.00 45 A 8.26 4.25 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.42 4.04 1.51 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 0.00 0.00 47 E 7.92 4.32 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 48 L 7.16 4.63 0.00 1.82 1.61 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.54 0.00 2.18 2.05 0.00 3.88 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 50 G 8.44 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 51 K 8.21 4.80 0.00 1.58 1.62 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.93 0.00 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0.00 0.00 0.00 0.00 112 A 8.21 4.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.82 3.47 1.86 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 0.44 0.00 0.00 0.62 0.00 0.00 114 W 7.96 4.19 0.00 3.39 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 0.00 115 R 7.65 4.44 0.00 1.84 1.89 0.00 3.29 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 116 T 7.74 3.92 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 1.36 0.00 0.00 117 E 8.54 4.08 0.00 2.03 1.73 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 2.23 1.88 0.00 118 G 8.98 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 0.00 0.00 0.00 119 F 7.69 4.00 0.00 3.08 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 0.00 120 R 7.23 4.17 0.00 1.33 1.45 0.00 3.26 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.89 0.00 121 H 8.34 3.86 0.00 3.23 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.44 0.00 2.12 1.83 0.00 3.67 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.69 0.00 123 D 8.99 4.95 0.00 2.69 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 0.00 124 V 7.63 5.04 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 0.79 0.00 0.00 1.15 0.00 0.00 125 V 9.14 5.02 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 1.25 0.00 0.00 1.15 0.00 0.00 126 L 9.10 5.11 0.00 2.01 1.68 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 127 V 9.14 4.56 1.68 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 0.13 0.00 0.00 0.87 0.00 0.00 128 D 9.04 4.61 0.00 2.73 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 0.00 129 G 8.43 4.33 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 0.00 130 R 9.19 4.19 0.00 0.92 1.00 0.00 3.54 0.00 0.00 2.90 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 131 F 7.42 4.13 0.00 3.14 3.06 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 0.00 132 R 8.09 3.73 0.00 1.99 1.54 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 133 V 8.19 3.83 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 0.74 0.00 0.00 0.72 0.00 0.00 134 G 8.23 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 0.00 135 C 8.36 3.87 0.00 2.69 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 0.00 0.00 0.00 136 A 7.88 3.89 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 0.00 137 L 7.94 3.40 0.00 1.62 1.48 0.93 0.48 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 0.00 138 A 8.15 3.87 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 0.00 139 T 7.75 3.21 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 140 A 7.50 3.79 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 7.46 4.82 0.00 2.82 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 0.00 142 S 6.92 4.32 0.00 2.72 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 0.00 143 I 6.64 4.05 2.23 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.53 1.09 0.00 0.00 144 T 8.85 4.60 4.31 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 0.00 0.00 0.00 1.27 0.00 0.00 145 R 7.66 4.73 0.00 1.87 1.87 0.00 3.00 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.54 0.00 146 P 0.00 4.78 0.00 1.99 2.12 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 147 V 8.78 4.80 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.06 0.00 0.00 148 T 8.43 4.92 4.33 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 nan 0.00 0.00 149 L 9.14 5.33 0.00 1.79 1.64 0.98 0.97 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 0.00 150 L 9.43 5.27 0.00 1.68 1.63 0.95 0.76 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 0.00 151 F 9.63 5.15 0.00 3.20 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 0.00 152 D 8.94 4.85 0.00 2.82 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 0.00 153 D 8.88 4.51 0.00 3.01 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 0.00 154 Y 8.41 3.89 0.00 3.11 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 0.00 155 S 8.05 4.13 0.00 3.67 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 0.00 156 Q 7.69 4.14 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 157 R 7.81 4.73 0.00 1.89 1.90 0.00 3.25 0.00 0.00 3.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 158 R 8.33 4.54 0.00 1.72 1.90 0.00 3.24 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.15 0.00 159 W 8.10 4.55 0.00 3.33 3.06 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 0.00 160 Q 7.91 3.96 0.00 1.91 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 161 H 7.89 4.66 0.00 3.21 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 Q 7.73 4.13 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 163 V 7.77 3.40 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 0.77 0.00 0.00 1.02 0.00 0.00 164 E 8.10 4.29 0.00 2.23 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 2.77 2.49 0.00 165 E 7.40 3.71 0.00 1.69 1.52 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 1.47 1.92 0.00 166 F 7.80 4.77 0.00 2.86 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 0.00 167 L 8.06 4.34 0.00 1.21 0.99 0.81 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 168 G 8.28 3.81 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 0.00 0.00 0.00 169 A 8.42 4.33 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 0.00 170 P 0.00 4.16 0.00 1.27 0.49 0.00 3.71 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 1.72 1.61 0.00 171 L 8.07 4.14 0.00 1.66 1.61 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 *173 I 8.35 4.00 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.25 0.94 0.00 0.00 174 G 8.67 3.76 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 0.00 0.00 0.00 175 R 9.27 4.24 0.00 2.02 2.19 0.00 2.77 0.00 0.00 3.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 176 L 7.93 5.04 0.00 1.67 1.81 1.03 0.91 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 0.00 177 A 8.91 4.56 0.50 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 0.00 0.00 178 A 8.57 5.03 1.21 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 0.00 179 F 9.48 5.00 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 0.00 180 Q 8.85 4.77 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 181 V 9.10 4.38 2.13 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 0.85 0.00 0.00 0.96 0.00 0.00 182 E 8.58 5.09 0.00 1.89 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 2.24 2.27 0.00 183 P 0.00 4.57 0.00 1.96 2.20 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 184 Q 8.64 4.92 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 185 P 0.00 4.39 0.00 2.07 2.05 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 186 I 7.84 3.27 1.51 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 -0.21 -0.08 0.38 0.00 0.00 187 P 0.00 4.39 0.00 2.26 2.05 0.00 3.42 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 2.53 2.33 0.00 188 P 0.00 4.18 0.00 2.15 2.06 0.00 3.58 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 2.09 2.04 0.00 189 G 8.02 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.05 4.66 0.00 4.09 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 0.00 191 L 7.52 4.16 0.00 1.73 1.66 0.88 1.06 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 *193 Q 8.25 4.29 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 194 L 8.42 4.03 0.00 1.70 1.91 1.05 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 195 I 7.90 3.91 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 0.99 0.00 0.00 196 R 8.16 4.25 0.00 2.05 2.30 0.00 3.29 0.00 0.00 3.43 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 197 T 7.70 4.86 4.33 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 1.16 0.00 0.00 *199 T 7.70 4.58 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 1.44 0.00 0.00 200 S 7.91 4.61 0.00 4.24 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 0.00 201 P 0.00 2.97 0.00 1.24 0.80 0.00 3.51 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 1.60 1.16 0.00 * Residues marked with a * may have inaccurate shift predictions.