NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2878 8.0327 115.2459 61.5580 68.9642 174.0961 3 D 4.2164 8.8208 126.7092 57.3826 40.9403 177.6411 4 Q 4.0179 8.2626 119.4857 59.8238 29.3076 178.8692 5 S 4.3152 7.9025 119.1346 63.2028 62.2426 178.2913 6 V 3.7567 7.9318 121.6922 66.1236 31.2578 178.2830 7 R 3.9171 7.8591 117.4708 59.3555 29.8093 179.1937 8 I 3.6490 7.7915 119.4139 64.3804 37.1455 178.5599 9 I 3.4865 7.7857 120.5560 64.3928 36.9677 178.4015 10 E 3.8931 8.4577 119.5293 59.2599 29.3903 179.2863 11 A 3.8566 8.1898 120.8370 54.9224 18.4465 179.4653 12 A 3.2792 7.9264 119.4863 55.1130 18.1854 179.6535 13 L 3.6149 7.6011 116.2746 57.9948 41.7648 179.4899 14 R 3.9088 7.5510 117.1913 59.3852 30.3673 178.2527 15 L 4.1136 7.5119 118.3914 57.4421 41.4355 179.8993 16 Y 4.7182 7.8349 117.9869 57.7154 37.4665 178.5341 *18 K 4.2899 8.0453 120.7381 55.6971 34.2387 176.0881 19 K 4.6447 7.6649 116.2777 53.2130 35.6866 173.7470 20 P 4.1726 0.0000 0.0000 62.2996 31.9796 175.4636 21 P 4.1754 0.0000 0.0000 66.1259 31.3490 178.3074 22 H 4.2276 7.7536 113.1401 58.7338 28.6908 176.3729 23 E 4.1234 8.0554 117.1246 57.5258 29.5767 176.8932 24 V 4.1163 7.7669 119.3183 61.4777 32.2826 176.3325 25 S 4.7011 8.4753 122.2020 57.1794 66.0954 175.2015 26 I 3.8137 8.2319 124.8698 64.9688 36.7599 179.0772 27 E 3.9889 8.1678 118.7866 61.2430 29.0971 181.2491 28 E 4.1327 7.9426 119.7422 59.2785 29.5419 179.6288 29 I 3.5986 7.5943 119.1418 64.1086 37.1477 178.2881 30 A 4.0576 8.3952 124.4138 55.8395 17.8932 180.5194 31 R 3.8675 8.0651 119.1019 61.6485 29.2874 180.5012 32 E 4.1461 8.1594 119.1723 58.8626 29.7771 178.2860 33 A 4.0592 8.3763 119.0608 52.0446 19.1647 176.9674 34 K 3.8068 7.7096 114.3032 57.2181 29.8678 175.4496 35 V 4.5555 7.7586 109.5549 58.6387 35.7984 176.4126 36 S 4.4559 8.3126 116.3969 58.0534 65.2226 175.4569 37 K 4.1209 8.6428 124.5021 60.3351 31.8358 180.4327 38 S 4.2362 8.0930 118.6085 63.2119 61.7899 178.6580 39 L 4.2526 7.8303 123.6706 58.0084 41.7571 179.1056 40 I 3.9901 7.5826 119.0181 64.6091 36.8901 178.3409 *41 F 4.3888 7.8284 118.4036 60.1849 38.4616 176.8500 42 Y 3.9619 8.0069 118.0638 60.3595 38.5672 177.0014 43 H 4.4992 7.7084 114.2841 55.0658 29.8194 175.2849 44 F 4.7843 8.1585 119.7435 55.2166 42.0340 175.1437 45 E 3.8775 9.1537 127.1867 59.3461 29.6994 176.6923 46 S 4.6219 7.6939 111.3832 56.3856 66.2957 176.9160 47 K 3.9137 8.3364 120.9646 59.9664 31.6922 179.2517 48 Q 3.9968 8.0641 119.0411 58.9443 29.1067 177.9014 49 K 4.0127 8.0728 120.4997 59.4148 32.2031 178.5030 50 L 3.6379 8.1204 120.6640 57.8810 41.9073 178.6398 51 L 4.1072 7.9567 121.5173 57.6615 41.8091 178.7733 52 E 3.9541 7.9870 116.9848 59.6180 29.5279 178.9536 53 E 4.2053 8.1464 116.9223 59.3179 29.7533 179.0231 54 A 4.2360 8.3556 121.1006 55.0632 18.3795 180.2437 55 V 3.5421 8.0076 113.1460 64.3698 31.3213 176.9487 *57 H 4.6171 8.1231 118.2279 55.8643 31.5017 175.1360 58 A 4.0473 8.3295 119.9219 55.4285 18.2813 179.3666 59 F 4.7351 8.2369 117.5575 61.3020 38.9886 178.4978 60 R 4.2553 8.0800 119.0379 60.8397 30.8117 181.0806 61 K 4.5012 7.7386 120.9957 56.5025 27.8076 177.1333 *64 E 4.2734 7.9139 120.2090 55.8876 31.8436 176.6769 65 E 4.4278 8.0825 116.5200 55.8866 29.6606 176.0222 66 F 4.6345 7.8868 120.6087 56.8028 38.9031 173.9874 67 N 4.6436 7.5664 123.4633 49.8444 38.9478 171.6993 68 P 4.0483 0.0000 0.0000 63.0738 31.9289 178.5909 69 R 4.0648 8.5857 122.2407 57.6997 29.9049 172.4755 70 S 4.6263 7.3361 109.2817 56.2225 66.1448 175.1606 71 V 3.4366 8.0947 120.0532 66.0112 31.0688 177.9740 72 E 3.9765 8.0005 118.0716 59.3273 29.4107 178.7149 73 E 4.0174 7.9274 118.5551 58.8309 29.6239 179.0930 74 V 3.7598 7.3610 117.4277 65.7488 31.6333 178.1186 75 V 3.7139 7.6519 118.1668 66.2557 31.3740 177.5499 76 D 4.4789 8.3074 118.6298 57.7029 40.6773 178.4032 77 Y 4.1427 8.3059 119.9227 60.5623 38.9693 178.2168 78 G 3.7714 8.4741 106.6279 48.1429 0.0000 175.7333 79 I 3.9262 8.4949 123.5578 63.8001 36.8781 178.6832 80 G 3.6444 8.2777 106.0833 47.7563 0.0000 175.1951 81 F 4.3328 8.1486 122.9077 61.2345 39.2866 177.2492 82 I 3.5475 7.5708 117.6225 64.2461 36.9923 177.7192 83 A 4.1611 7.8534 119.2228 52.6296 18.5012 177.5215 84 E 3.9145 7.1745 119.3395 56.0118 30.4169 177.7086 85 R 4.0152 8.3660 119.0708 56.3986 30.3004 178.4967 86 R 3.8433 8.7153 123.2355 59.0266 30.2783 178.3840 87 E 4.1176 8.2393 117.7677 59.1759 29.2072 179.0650 88 F 4.1017 8.1331 120.0520 61.4360 39.6343 176.9094 89 I 3.9103 7.8255 117.4573 64.5828 37.0024 177.8755 90 E 4.2088 8.3489 118.5823 58.5731 30.9037 178.5765 91 F 4.3993 8.0083 121.8453 58.7190 35.2502 174.2724 *94 Y 4.4631 7.6670 122.7711 57.1025 41.3808 176.6035 95 A 3.6146 7.9972 122.8744 55.0434 18.9031 179.4435 96 L 4.0917 8.0961 115.5355 57.9287 41.8708 179.7584 97 S 4.1233 7.4708 112.3963 60.9274 63.0680 174.8470 98 Q 4.2109 7.5097 120.5422 56.1473 28.3218 176.2389 99 V 4.5376 7.0216 116.2623 58.9488 35.1641 181.0318 100 R 4.2021 8.2215 122.4740 58.3648 31.1720 178.7393 101 I 3.9187 8.5372 125.8079 64.9048 37.1687 179.2574 102 E 3.9588 8.0873 118.3746 61.1605 29.4008 180.5774 103 E 4.1332 8.0176 118.9808 58.8704 29.8340 178.2097 104 L 3.9552 7.7410 119.6133 58.0782 42.4715 178.4470 105 E 4.1522 8.4593 118.9620 59.2718 29.3687 179.2707 106 R 3.7250 7.8247 114.5343 57.8126 29.8751 177.4167 *108 F 4.3635 8.0047 120.8912 58.0896 41.3617 177.1729 109 G 3.6800 8.2900 107.1228 47.9323 0.0000 175.5391 110 E 3.9602 8.3384 120.9983 58.8799 29.4718 179.4150 111 A 4.0576 7.6652 120.2777 55.1745 18.5995 179.2904 112 L 3.8152 8.0330 121.7291 58.7421 42.1578 179.6251 113 E 4.0195 8.2925 118.3913 61.0591 29.5152 181.8027 114 K 4.1637 7.7922 119.6406 59.1394 31.8906 179.8269 115 V 3.5903 7.7545 117.1445 66.0885 31.7539 177.6463 116 A 4.4502 8.5769 120.9340 55.2185 18.1573 179.5224 117 S 4.0595 8.0236 111.2790 61.6540 62.2749 176.4605 118 L 3.9620 7.5421 120.3031 57.1943 41.4319 178.4521 119 F 4.8052 7.8431 118.9352 56.7275 38.9168 175.8263 120 E 4.1724 7.5930 116.4720 57.4053 29.7726 180.8309 121 G 4.1427 9.0336 112.2711 45.0096 0.0000 173.5679 122 C 4.3523 8.0306 121.4390 59.3578 32.3431 174.1976 123 R 4.0791 8.6780 121.2259 59.2321 28.9326 177.8803 124 H 4.9220 7.6693 118.2077 51.5722 29.8615 171.8647 125 P 4.2116 0.0000 0.0000 65.8683 31.1959 178.5254 126 R 3.8689 7.8930 117.8695 59.1869 30.0913 178.2222 127 E 4.0087 8.0783 117.9380 59.5563 29.4560 179.3281 128 T 3.7443 8.0717 115.8074 66.3982 68.2206 176.4135 129 A 4.0237 7.2621 121.1853 55.4101 18.4842 179.4907 130 I 3.9137 7.6543 116.5169 64.4456 37.2770 178.1443 131 A 4.1913 8.0052 120.6642 55.0392 18.2384 179.7369 132 L 4.1679 7.8748 113.3473 56.2488 41.9878 177.1158 *134 A 4.1702 7.7078 118.3058 51.7837 20.4733 178.9792 *136 L 4.3167 7.8468 119.9166 56.2654 43.9925 179.1643 137 D 4.5367 8.2005 117.9381 57.2320 40.6678 178.8069 138 G 3.4199 8.2142 106.3747 47.8814 0.0000 175.6797 139 L 3.7681 7.6839 121.5366 57.2714 41.3832 179.6713 140 S 4.1749 7.8339 113.1122 61.3154 63.3041 176.5186 141 I 3.9664 7.7721 123.0822 64.6237 37.0054 177.7218 142 Y 4.4866 8.3404 118.0520 61.5535 37.5216 179.2149 143 S 4.3502 8.2025 114.0395 61.4117 63.0581 176.2210 144 L 3.9774 7.8286 120.9286 56.4862 41.3613 177.1343 145 Y 4.2153 7.4723 115.1327 57.8603 39.9333 175.7321 146 F 4.9669 7.2625 117.8169 56.1166 42.8789 175.2009 147 D 4.7592 8.6763 121.8390 51.9553 38.7113 177.3442 148 L 4.3280 8.5178 126.8154 56.0645 42.6275 177.4688 149 G 3.9831 8.3658 105.2130 44.5914 0.0000 175.0236 150 K 4.2660 8.8761 125.6349 54.0156 31.7876 174.7133 151 L 4.4004 8.7899 126.3489 57.1169 41.5266 179.2213 152 E 4.0945 8.2786 118.5557 58.8535 29.5454 178.8482 153 K 3.9643 8.0845 119.0406 59.5885 31.9599 178.8741 154 Y 4.1014 7.8742 116.6249 60.8491 37.6616 178.0892 155 R 3.9770 8.0026 119.0288 59.3471 30.2756 177.9287 156 E 4.1072 8.0842 117.9000 59.3337 29.9225 178.4440 157 I 3.9475 7.7691 119.5782 64.3537 37.1043 179.0541 158 A 4.4517 8.1858 118.1184 53.3496 17.8799 178.8324 *160 E 4.2056 8.1048 121.4815 57.8421 30.2414 177.5677 161 F 4.4588 8.6454 121.1901 61.2591 39.7277 177.1416 162 V 3.7408 7.9309 119.6908 65.1954 31.8278 176.1169 163 E 4.7271 7.4415 114.1589 55.2182 29.0375 175.9783 164 S 4.3364 7.6765 118.3249 59.3200 63.3995 174.7245 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 T 8.03 4.29 4.27 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 1.17 0.00 0.00 3 D 8.82 4.22 0.00 2.91 2.68 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 4 Q 8.26 4.02 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 5 S 7.90 4.32 0.00 3.73 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 6 V 7.93 3.76 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 1.07 0.00 0.00 0.99 0.00 0.00 7 R 7.86 3.92 0.00 2.10 1.96 0.00 3.18 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 8 I 7.79 3.65 2.17 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 1.58 0.89 0.85 0.00 0.00 9 I 7.79 3.49 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.78 0.00 0.00 10 E 8.46 3.89 0.00 1.94 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 2.43 0.00 11 A 8.19 3.86 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 12 A 7.93 3.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.60 3.61 0.00 1.59 1.60 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.55 3.91 0.00 1.84 2.09 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 15 L 7.51 4.11 0.00 1.59 1.55 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.83 4.72 0.00 2.11 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *18 K 8.05 4.29 0.00 1.89 1.89 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.55 7.81 19 K 7.66 4.64 0.00 1.67 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.36 7.81 20 P 0.00 4.17 0.00 2.14 1.87 0.00 3.66 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 2.07 2.07 0.00 21 P 0.00 4.18 0.00 1.52 1.47 0.00 3.03 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.19 0.00 22 H 7.75 4.23 0.00 3.05 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.06 4.12 0.00 2.09 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 2.33 2.21 0.00 24 V 7.77 4.12 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 0.80 0.00 0.00 1.08 0.00 0.00 25 S 8.48 4.70 0.00 4.09 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 0.00 26 I 8.23 3.81 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.00 0.94 0.00 0.00 27 E 8.17 3.99 0.00 1.97 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 2.32 1.98 0.00 28 E 7.94 4.13 0.00 2.08 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 2.30 2.33 0.00 29 I 7.59 3.60 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.52 0.77 0.00 0.00 30 A 8.40 4.06 1.45 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 0.00 0.00 0.00 31 R 8.07 3.87 0.00 1.83 1.95 0.00 3.27 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 32 E 8.16 4.15 0.00 1.94 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 0.00 2.33 2.28 0.00 33 A 8.38 4.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.71 3.81 0.00 1.95 1.90 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.37 7.81 35 V 7.76 4.56 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 0.71 0.00 0.00 0.96 0.00 0.00 36 S 8.31 4.46 0.00 4.06 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 0.00 37 K 8.64 4.12 0.00 1.84 1.93 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.51 7.81 38 S 8.09 4.24 0.00 3.73 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 39 L 7.83 4.25 0.00 1.72 1.89 0.96 1.02 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 40 I 7.58 3.99 2.09 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 1.61 0.78 1.04 0.00 0.00 *41 F 7.83 4.39 0.00 2.62 2.41 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 0.00 42 Y 8.01 3.96 0.00 3.11 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 43 H 7.71 4.50 0.00 3.12 2.53 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.16 4.78 0.00 3.08 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 45 E 9.15 3.88 0.00 1.95 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 2.33 2.33 0.00 46 S 7.69 4.62 0.00 4.07 3.96 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 0.00 0.00 0.00 47 K 8.34 3.91 0.00 1.87 1.98 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.56 7.81 48 Q 8.06 4.00 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 49 K 8.07 4.01 0.00 1.96 1.94 0.00 2.04 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.79 7.81 50 L 8.12 3.64 0.00 1.60 1.75 -0.45 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.96 4.11 0.00 1.90 1.84 0.23 0.59 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 52 E 7.99 3.95 0.00 2.21 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 2.34 2.52 0.00 53 E 8.15 4.21 0.00 2.15 2.25 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 2.50 2.73 0.00 54 A 8.36 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.01 3.54 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 0.79 0.00 0.00 0.77 0.00 0.00 *57 H 8.12 4.62 0.00 3.39 3.53 0.00 5.73 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.33 4.05 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 59 F 8.24 4.74 0.00 3.06 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 60 R 8.08 4.26 0.00 1.91 1.85 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.29 0.00 61 K 7.74 4.50 0.00 1.96 1.87 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.35 7.81 *64 E 7.91 4.27 0.00 2.19 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 0.00 2.24 2.48 0.00 65 E 8.08 4.43 0.00 2.09 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 2.42 2.32 0.00 66 F 7.89 4.63 0.00 2.70 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 67 N 7.57 4.64 0.00 2.56 2.56 0.00 0.00 7.22 8.02 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 68 P 0.00 4.05 0.00 2.03 1.63 0.00 2.92 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.96 0.00 69 R 8.59 4.06 0.00 1.85 1.88 0.00 3.25 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 70 S 7.34 4.63 0.00 3.99 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 71 V 8.09 3.44 1.76 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 0.42 0.00 0.00 0.18 0.00 0.00 72 E 8.00 3.98 0.00 2.07 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 2.38 2.41 0.00 73 E 7.93 4.02 0.00 2.03 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 2.28 2.33 0.00 74 V 7.36 3.76 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 1.15 0.00 0.00 0.90 0.00 0.00 75 V 7.65 3.71 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 1.01 0.00 0.00 1.12 0.00 0.00 76 D 8.31 4.48 0.00 2.97 2.79 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 77 Y 8.31 4.14 0.00 3.44 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 78 G 8.47 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 79 I 8.49 3.93 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.20 0.98 0.00 0.00 80 G 8.28 3.64 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 0.00 0.00 0.00 81 F 8.15 4.33 0.00 3.04 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 82 I 7.57 3.55 1.99 0.00 0.00 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 1.49 0.93 0.84 0.00 0.00 83 A 7.85 4.16 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 84 E 7.17 3.91 0.00 1.77 1.61 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 2.30 1.79 0.00 85 R 8.37 4.02 0.00 1.73 1.82 0.00 3.29 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 86 R 8.72 3.84 0.00 1.82 1.93 0.00 3.10 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 87 E 8.24 4.12 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 88 F 8.13 4.10 0.00 3.07 3.23 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 89 I 7.83 3.91 1.89 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 0.72 0.44 0.86 0.00 0.00 90 E 8.35 4.21 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 91 F 8.01 4.40 0.00 3.37 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 *94 Y 7.67 4.46 0.00 3.10 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 95 A 8.00 3.61 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.10 4.09 0.00 1.68 1.68 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.47 4.12 0.00 3.77 3.85 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 98 Q 7.51 4.21 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.71 0.00 0.00 0.00 0.00 0.00 1.54 2.08 0.00 99 V 7.02 4.54 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 0.71 0.00 0.00 0.93 0.00 0.00 100 R 8.22 4.20 0.00 1.81 1.84 0.00 3.24 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 101 I 8.54 3.92 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.49 0.89 0.00 0.00 102 E 8.09 3.96 0.00 1.97 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 2.31 1.94 0.00 103 E 8.02 4.13 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.93 0.00 104 L 7.74 3.96 0.00 1.67 1.81 0.74 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.46 4.15 0.00 2.13 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 2.51 2.43 0.00 106 R 7.82 3.73 0.00 2.05 2.05 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 *108 F 8.00 4.36 0.00 3.22 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 0.00 109 G 8.29 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 0.00 110 E 8.34 3.96 0.00 2.00 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 2.32 2.43 0.00 111 A 7.67 4.06 0.94 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 0.00 112 L 8.03 3.82 0.00 1.24 1.54 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.29 4.02 0.00 2.02 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 2.24 2.23 0.00 114 K 7.79 4.16 0.00 1.99 1.75 0.00 1.70 0.00 0.00 1.44 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.60 7.81 115 V 7.75 3.59 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 1.07 0.00 0.00 1.14 0.00 0.00 116 A 8.58 4.45 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.02 4.06 0.00 4.03 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 0.00 118 L 7.54 3.96 0.00 1.73 1.44 0.92 1.15 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 0.00 119 F 7.84 4.81 0.00 3.14 2.96 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 0.00 0.00 0.00 120 E 7.59 4.17 0.00 2.00 1.76 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 2.26 2.14 0.00 121 G 9.03 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 0.00 122 C 8.03 4.35 0.00 3.11 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 0.00 123 R 8.68 4.08 0.00 1.87 1.85 0.00 3.26 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 124 H 7.67 4.92 0.00 3.10 3.16 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.21 0.00 2.39 2.58 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 126 R 7.89 3.87 0.00 1.92 1.98 0.00 3.21 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 127 E 8.08 4.01 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.97 0.00 128 T 8.07 3.74 3.52 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 0.29 0.00 0.00 129 A 7.26 4.02 1.49 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 0.00 0.00 130 I 7.65 3.91 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.81 1.03 0.00 0.00 131 A 8.01 4.19 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 0.00 132 L 7.87 4.17 0.00 2.00 2.07 1.24 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *134 A 7.71 4.17 1.41 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 0.00 0.00 0.00 *136 L 7.85 4.32 0.00 1.84 1.88 1.08 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.20 4.54 0.00 2.71 2.74 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 0.00 138 G 8.21 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.68 3.77 0.00 1.77 1.55 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.83 4.17 0.00 4.25 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 0.00 141 I 7.77 3.97 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.11 1.10 0.00 0.00 142 Y 8.34 4.49 0.00 3.11 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 0.00 143 S 8.20 4.35 0.00 4.00 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 0.00 144 L 7.83 3.98 0.00 1.49 1.37 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 7.47 4.22 0.00 1.46 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 0.00 0.00 0.00 146 F 7.26 4.97 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 0.00 147 D 8.68 4.76 0.00 2.69 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 0.00 148 L 8.52 4.33 0.00 1.68 1.79 0.70 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.37 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 0.00 150 K 8.88 4.27 0.00 1.70 1.74 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.03 7.81 151 L 8.79 4.40 0.00 1.85 1.87 0.92 0.83 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 0.00 152 E 8.28 4.09 0.00 2.11 1.97 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 2.40 2.49 0.00 153 K 8.08 3.96 0.00 1.66 1.59 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.52 7.81 154 Y 7.87 4.10 0.00 3.23 3.09 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 0.00 0.00 0.00 0.00 155 R 8.00 3.98 0.00 1.92 2.20 0.00 3.33 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 156 E 8.08 4.11 0.00 2.13 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 0.00 2.49 2.37 0.00 157 I 7.77 3.95 2.05 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.54 0.98 0.00 0.00 158 A 8.19 4.45 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 *160 E 8.10 4.21 0.00 2.18 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 2.25 2.45 0.00 161 F 8.65 4.46 0.00 3.09 3.35 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 0.00 162 V 7.93 3.74 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 0.77 0.00 0.00 1.14 0.00 0.00 163 E 7.44 4.73 0.00 2.06 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 2.17 2.23 0.00 164 S 7.68 4.34 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.