NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6855 8.1927 115.4480 57.9390 63.9816 174.2724 2 L 3.9552 8.1589 121.6552 57.2907 41.5749 178.5046 3 F 4.1353 9.4114 118.8374 60.2905 38.8878 176.7039 4 E 4.1756 8.1978 117.9327 59.3731 29.6913 178.1790 5 L 3.7994 8.1039 120.3123 58.6232 42.0714 179.1551 6 G 3.6812 7.8787 104.2322 47.7255 0.0000 175.1110 7 K 3.8618 7.5439 122.3122 59.5712 32.1188 178.7083 8 M 3.8860 7.7820 118.3490 58.5900 31.9181 178.8303 9 I 3.3703 7.5961 119.3296 64.2993 37.1590 178.1303 10 L 4.3161 8.1265 122.9386 57.5207 41.6366 178.7871 11 Q 3.6396 7.5149 117.2793 58.6796 28.6607 178.1004 12 E 4.2744 8.6182 119.6139 60.1299 30.1921 179.5626 13 T 4.0973 7.8232 115.3940 64.2593 68.3985 176.9318 14 G 3.9766 8.3453 108.0656 45.2209 0.0000 173.1323 15 K 4.4389 7.2318 117.8327 54.2544 34.8570 174.6128 16 N 4.6683 8.3233 118.5284 52.3555 38.6925 173.9887 17 P 4.5128 0.0000 0.0000 64.5225 32.0948 178.0333 18 A 4.3737 7.9712 121.1391 53.8615 19.4727 179.0666 19 K 4.2592 8.1082 115.4304 58.3340 32.8474 177.5893 20 S 4.2231 7.6380 109.9693 60.2016 62.8394 174.9805 *22 Y 5.1339 7.1729 113.9095 57.2896 39.6287 175.9561 23 G 3.8880 8.3702 110.8732 48.5404 0.0000 173.7088 24 A 5.1847 7.7391 121.8652 50.7542 19.6718 172.9588 25 Y 5.0445 7.8627 118.9312 56.6189 39.7223 175.4537 26 G 4.0071 8.1617 113.7552 45.4774 0.0000 171.8474 27 C 4.5444 8.5145 114.9794 60.3304 40.4411 175.0918 28 N 4.6131 8.5375 114.6169 55.8809 38.7860 176.7558 29 C 4.4488 8.0572 115.0168 58.1025 41.9097 174.8078 30 G 4.4985 8.4584 107.9015 44.2102 0.0000 176.3989 31 V 4.0380 8.4206 125.9498 61.2438 32.4000 174.6570 32 L 3.6611 7.9289 120.6114 54.4202 41.4427 176.3085 33 G 3.9272 8.4105 111.1334 44.0310 0.0000 173.5865 34 R 4.5177 8.4224 124.4878 54.2156 30.7805 175.3629 35 G 4.1394 8.0249 115.1319 45.4416 0.0000 169.4872 36 K 4.7770 7.8445 122.6022 53.5939 33.8834 175.9424 37 P 5.1619 0.0000 0.0000 63.2733 30.8367 176.3378 38 K 4.0278 9.1378 124.2681 58.7982 32.4116 175.9465 39 D 4.6539 7.5361 117.4196 52.4385 41.3688 175.1289 40 A 4.0473 8.7634 119.1248 55.9646 19.4907 179.2070 41 T 4.4522 7.7825 112.0612 62.6258 67.0140 172.6100 42 D 4.9313 7.4456 124.6944 54.5409 47.3800 176.8349 43 R 4.2451 8.0117 115.4960 58.5713 29.1829 177.8881 44 C 4.3897 8.1101 117.7736 60.0560 34.3520 174.9884 45 C 4.2504 7.9869 117.7130 59.6094 38.3765 174.9200 46 Y 4.1672 8.4185 121.5603 61.1094 38.2150 178.9996 47 V 3.4676 8.0355 113.0620 64.6310 31.6748 177.8479 48 H 3.9125 7.9838 117.9096 59.3600 29.1771 177.1442 49 K 4.0412 7.8385 119.3223 58.9100 31.6826 178.5993 50 C 4.3290 7.2482 116.1979 59.5196 40.2014 174.6008 51 C 4.2810 8.1207 119.8593 60.2392 39.5516 175.0150 52 Y 4.5223 7.5263 116.7982 60.8342 37.3659 178.0982 53 K 4.0430 7.5208 115.8969 57.3356 32.4959 178.3877 *57 K 4.9439 7.7831 117.1607 56.8232 34.2545 175.9704 58 L 4.5133 7.6049 120.0631 54.9590 42.7275 176.5251 59 T 4.4322 8.2942 108.0832 63.3364 71.5266 175.7452 60 G 3.9118 8.1481 107.7611 45.2090 0.0000 171.3504 61 C 4.5679 7.8766 113.0808 54.1890 39.0713 172.4328 *67 N 5.1923 8.3230 117.3102 52.9161 39.1343 173.3957 68 P 3.8890 0.0000 0.0000 64.6542 31.1174 177.2029 69 K 4.5314 8.0643 115.3258 56.1217 33.1543 177.7322 70 K 4.4097 7.8675 116.8915 57.4562 34.2779 176.9620 71 D 4.4814 8.0620 117.5169 54.4580 41.3063 175.7286 72 R 4.9301 8.6008 121.5025 53.8677 32.2625 174.9707 73 Y 5.0767 7.6299 118.2353 55.1742 41.0826 173.9274 74 S 4.8309 9.4370 114.8046 57.1019 64.8281 173.0142 75 Y 5.0929 8.5954 121.7983 55.0753 41.3766 174.5468 76 S 4.5765 9.0674 113.7361 56.5993 67.4953 173.4433 77 W 5.3050 8.8366 132.4166 55.4696 30.0993 172.6204 78 K 4.2474 8.9400 124.2875 54.9927 33.4675 175.6704 79 D 4.5209 9.3747 125.5881 55.2462 37.6705 173.0831 80 K 2.9263 7.2560 113.0302 57.5704 30.6304 175.2942 81 T 4.3152 6.5025 111.0685 60.1424 71.1342 172.5978 82 I 5.0918 8.3929 128.7791 61.0539 38.4861 175.6235 83 V 4.5215 9.4279 126.3552 60.2143 34.4884 174.0387 84 C 4.7093 8.9092 122.5116 55.6482 42.1955 173.3670 *86 G 4.3710 8.2869 110.3538 45.0829 0.0000 171.7157 87 E 4.4273 7.9276 121.3599 55.5305 32.1390 178.8425 88 N 4.1682 8.4809 118.7149 54.9157 39.3925 173.4477 89 N 4.2868 9.6675 116.8279 53.5771 38.8288 175.1534 90 S 4.2339 8.7923 120.2872 60.3039 61.5869 174.9007 91 C 4.7723 8.3490 119.4829 58.7935 46.2871 175.5324 92 L 4.0240 7.9411 119.9610 57.3855 41.0319 179.3451 93 K 3.8271 8.6106 120.2432 59.3680 32.0622 178.5350 94 E 4.0981 7.5773 113.6628 58.0412 29.2436 177.9315 95 L 4.1945 7.8030 121.6625 57.2114 42.5148 177.4811 96 C 3.8312 7.5370 118.3188 59.3201 41.7880 175.1175 97 E 3.8829 7.7778 120.1054 59.6084 29.2227 178.2506 98 C 4.0590 7.7875 116.2385 60.6958 36.1614 176.3110 99 D 4.2993 7.9360 119.7089 57.0910 40.5209 178.7483 100 K 3.8377 7.8041 119.6870 59.5152 32.1100 178.7386 101 A 4.0131 8.0255 121.2824 55.0352 18.2930 180.0329 102 V 3.4602 7.4262 116.5736 64.7958 31.7017 178.4026 103 A 3.8325 7.6359 121.5289 54.7878 17.9851 179.8219 104 I 3.7581 7.4779 117.7951 64.7252 37.4084 177.6099 105 C 4.0511 8.2860 119.4920 59.7555 43.1529 175.4353 106 L 3.7825 7.6285 120.9917 57.7180 41.7634 178.5385 107 R 4.0537 7.4323 117.8485 58.8335 29.8586 177.6490 108 E 3.9337 8.5186 118.9468 59.1460 30.1006 179.0364 109 N 4.9245 8.1687 115.8385 53.3310 39.4902 176.1359 110 L 4.4208 8.0574 121.1568 56.0249 42.5269 175.3106 111 N 4.6524 8.0151 115.8760 55.5065 38.1872 176.8868 112 T 4.0289 7.8353 113.1211 63.9702 69.1667 174.2044 113 Y 4.0938 7.1602 122.6344 58.1679 39.0924 174.9955 114 N 4.8556 8.4605 125.1115 51.6728 41.3817 173.8448 115 K 4.1957 8.2101 122.6921 56.4418 33.0985 177.2833 116 K 3.9120 7.4905 123.6148 60.0073 32.4385 177.8651 117 Y 4.3220 7.2105 114.2468 59.2271 38.2113 177.9168 118 R 3.3671 6.8525 121.0871 57.0797 30.3597 175.8876 119 Y 5.4602 7.2557 117.5115 55.4113 39.9527 173.7294 120 Y 4.8445 8.5267 125.0917 55.8441 40.7093 175.3501 121 L 3.9776 8.0920 125.1464 55.5135 40.2593 177.2495 122 K 3.7193 8.8835 126.5269 59.2629 32.2931 175.8280 123 P 4.3184 0.0000 0.0000 65.6426 31.0908 176.6592 124 L 4.2360 6.8291 119.7021 52.8713 39.9423 174.2116 125 C 4.7726 7.9038 121.4735 56.0750 44.5873 173.2533 *128 K 4.3410 8.3975 128.0975 55.1004 33.6953 173.1219 129 K 4.5098 8.4592 115.5986 57.2672 34.1937 176.7155 130 A 4.5189 8.4506 124.2414 51.7706 19.5072 177.2045 131 D 4.6892 8.1938 118.7403 53.1851 42.9062 175.1801 132 A 4.5835 8.2328 122.6181 50.8772 20.0343 178.0596 133 C 4.5033 8.7005 118.7343 57.3010 41.2867 173.7255 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 1 S 8.19 4.69 0.00 4.24 4.38 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.16 3.96 0.00 1.82 1.70 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.41 4.14 0.00 2.86 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.20 4.18 0.00 2.02 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 1.47 2.25 0.00 5 L 8.10 3.80 0.00 1.94 1.80 0.82 0.98 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 6 G 7.88 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 7 K 7.54 3.86 0.00 2.25 2.00 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.54 7.81 8 M 7.78 3.89 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 1.54 0.00 9 I 7.60 3.37 1.75 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.48 0.75 0.00 0.00 10 L 8.13 4.32 0.00 1.67 1.69 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.51 3.64 0.00 1.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 1.78 2.40 0.00 12 E 8.62 4.27 0.00 1.90 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 0.00 2.59 2.57 0.00 13 T 7.82 4.10 4.47 0.00 0.00 0.00 0.00 0.00 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 14 G 8.35 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.23 4.44 0.00 1.92 1.69 0.00 1.50 0.00 0.00 1.41 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.44 7.81 16 N 8.32 4.67 0.00 2.75 2.70 0.00 0.00 6.88 7.71 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 17 P 0.00 4.51 0.00 2.23 2.07 0.00 3.63 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 18 A 7.97 4.37 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 19 K 8.11 4.26 0.00 1.86 2.11 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.44 7.81 20 S 7.64 4.22 0.00 3.88 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 Y 7.17 5.13 0.00 2.98 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 23 G 8.37 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.74 5.18 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.86 5.04 0.00 2.97 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 26 G 8.16 4.01 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 0.00 0.00 0.00 27 C 8.51 4.54 0.00 3.05 3.22 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 0.00 28 N 8.54 4.61 0.00 3.02 2.97 0.00 0.00 6.90 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.06 4.45 0.00 3.32 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 30 G 8.46 4.50 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 0.00 31 V 8.42 4.04 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 0.88 0.00 0.00 1.00 0.00 0.00 32 L 7.93 3.66 0.00 1.71 1.63 0.95 0.96 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 33 G 8.41 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 34 R 8.42 4.52 0.00 1.70 1.82 0.00 2.47 0.00 0.00 2.84 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.39 0.00 35 G 8.02 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 0.00 0.00 0.00 36 K 7.84 4.78 0.00 1.86 1.68 0.00 1.64 0.00 0.00 2.15 0.00 0.00 3.21 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.27 7.81 37 P 0.00 5.16 0.00 2.00 2.11 0.00 2.96 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.42 0.00 38 K 9.14 4.03 0.00 1.35 1.26 0.00 1.47 0.00 0.00 0.63 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.14 0.58 7.81 39 D 7.54 4.65 0.00 2.85 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 40 A 8.76 4.05 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.78 4.45 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 42 D 7.45 4.93 0.00 3.01 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 43 R 8.01 4.25 0.00 2.02 2.34 0.00 2.78 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 44 C 8.11 4.39 0.00 3.00 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 45 C 7.99 4.25 0.00 3.32 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.42 4.17 0.00 3.03 3.12 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 47 V 8.04 3.47 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 0.86 0.00 0.00 1.16 0.00 0.00 48 H 7.98 3.91 0.00 3.07 3.33 0.00 5.58 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.84 4.04 0.00 1.87 1.74 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.50 7.81 50 C 7.25 4.33 0.00 2.93 3.08 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 51 C 8.12 4.28 0.00 3.03 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 52 Y 7.53 4.52 0.00 3.01 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 53 K 7.52 4.04 0.00 1.99 2.18 0.00 1.31 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.37 7.81 *57 K 7.78 4.94 0.00 1.91 2.12 0.00 1.18 0.00 0.00 2.37 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 58 L 7.60 4.51 0.00 1.85 1.60 1.06 0.76 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 59 T 8.29 4.43 4.23 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 1.20 0.00 0.00 60 G 8.15 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 61 C 7.88 4.57 0.00 3.14 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 *67 N 8.32 5.19 0.00 2.74 2.87 0.00 0.00 7.69 7.71 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 68 P 0.00 3.89 0.00 1.08 0.49 0.00 3.85 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 69 K 8.06 4.53 0.00 1.97 1.86 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.39 7.81 70 K 7.87 4.41 0.00 1.74 1.82 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.52 7.81 71 D 8.06 4.48 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.60 4.93 0.00 1.70 1.81 0.00 3.51 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.31 0.00 73 Y 7.63 5.08 0.00 3.13 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 74 S 9.44 4.83 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.60 5.09 0.00 3.13 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 76 S 9.07 4.58 0.00 3.83 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 77 W 8.84 5.30 0.00 3.57 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 78 K 8.94 4.25 0.00 1.81 1.60 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.32 7.81 79 D 9.37 4.52 0.00 2.80 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 80 K 7.26 2.93 0.00 1.73 1.69 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.59 7.81 81 T 6.50 4.32 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 1.16 0.00 0.00 82 I 8.39 5.09 1.93 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 1.76 1.06 0.86 0.00 0.00 83 V 9.43 4.52 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 0.83 0.00 0.00 0.97 0.00 0.00 84 C 8.91 4.71 0.00 2.91 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 *86 G 8.29 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 0.00 0.00 0.00 0.00 87 E 7.93 4.43 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 88 N 8.48 4.17 0.00 2.85 2.91 0.00 0.00 6.93 7.79 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 89 N 9.67 4.29 0.00 2.78 2.71 0.00 0.00 6.78 7.51 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 90 S 8.79 4.23 0.00 3.89 3.87 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 91 C 8.35 4.77 0.00 2.99 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 92 L 7.94 4.02 0.00 1.74 1.76 0.98 0.90 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 93 K 8.61 3.83 0.00 1.82 1.75 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.57 7.81 94 E 7.58 4.10 0.00 2.20 2.16 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 2.47 2.30 0.00 95 L 7.80 4.19 0.00 1.80 1.94 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.54 3.83 0.00 2.33 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 97 E 7.78 3.88 0.00 2.13 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 2.44 2.47 0.00 98 C 7.79 4.06 0.00 3.12 3.19 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 99 D 7.94 4.30 0.00 2.76 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 0.00 100 K 7.80 3.84 0.00 2.07 1.91 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.44 7.81 101 A 8.03 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.43 3.46 1.91 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 0.54 0.00 0.00 0.85 0.00 0.00 103 A 7.64 3.83 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 0.00 104 I 7.48 3.76 2.01 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 1.41 0.97 0.90 0.00 0.00 105 C 8.29 4.05 0.00 3.05 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 0.00 106 L 7.63 3.78 0.00 1.79 1.32 0.89 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.43 4.05 0.00 2.00 2.09 0.00 3.20 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 108 E 8.52 3.93 0.00 2.15 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 2.33 2.37 0.00 109 N 8.17 4.92 0.00 2.94 2.84 0.00 0.00 6.77 6.15 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 0.00 110 L 8.06 4.42 0.00 1.97 1.67 0.88 0.94 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 0.00 111 N 8.02 4.65 0.00 2.91 3.06 0.00 0.00 6.91 7.52 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 0.00 112 T 7.84 4.03 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 113 Y 7.16 4.09 0.00 2.73 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 0.00 114 N 8.46 4.86 0.00 2.37 2.19 0.00 0.00 7.14 7.06 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 0.00 115 K 8.21 4.20 0.00 1.89 2.07 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.35 7.81 116 K 7.49 3.91 0.00 1.55 1.50 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.44 7.81 117 Y 7.21 4.32 0.00 1.55 1.99 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 0.00 118 R 6.85 3.37 0.00 1.61 1.05 0.00 3.30 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.24 0.00 119 Y 7.26 5.46 0.00 2.92 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 0.00 120 Y 8.53 4.84 0.00 2.60 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 0.00 121 L 8.09 3.98 0.00 1.60 1.73 0.53 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.88 3.72 0.00 1.72 1.92 0.00 1.94 0.00 0.00 1.86 0.00 0.00 3.23 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.57 7.81 123 P 0.00 4.32 0.00 2.14 2.15 0.00 3.42 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 124 L 6.83 4.24 0.00 1.21 1.51 0.83 0.72 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 0.00 125 C 7.90 4.77 0.00 3.33 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 K 8.40 4.34 0.00 1.51 1.76 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 129 K 8.46 4.51 0.00 1.77 1.85 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.39 7.81 130 A 8.45 4.52 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.19 4.69 0.00 2.77 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 0.00 132 A 8.23 4.58 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 C 8.70 4.50 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.