NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 L 4.3308 8.1849 120.6292 53.5475 43.9038 177.0406 18 P 4.2305 0.0000 0.0000 60.9174 31.6300 174.8635 19 R 4.2549 8.4173 117.4510 56.8428 31.1761 176.0408 20 S 4.8271 7.6430 113.4939 55.6098 65.1648 172.1234 21 P 4.5661 0.0000 0.0000 61.8879 31.9299 175.4183 22 P 4.7446 0.0000 0.0000 61.8295 29.5372 174.4191 23 L 4.0991 8.2545 129.6489 56.1606 43.4592 175.5637 24 K 4.9167 8.5983 125.8699 56.5974 32.5165 176.7164 25 V 4.7069 8.6621 117.2458 60.0899 36.3275 174.4913 26 L 4.6815 8.8291 122.4088 53.0388 43.8104 177.7566 27 A 3.9624 9.4655 123.7341 55.5682 18.1963 180.2466 28 E 3.9389 8.4634 116.0056 59.6048 29.5100 179.5341 29 Q 3.9659 7.9488 118.8252 58.6870 28.2751 178.6823 30 L 3.8950 7.6850 119.5161 57.6518 41.6150 179.1920 31 R 4.3320 7.7850 118.7299 58.6979 30.1008 177.7673 32 R 4.2669 8.2575 116.7952 57.8142 30.9561 176.3212 33 D 4.9084 8.1110 115.9582 54.0832 42.6265 176.7250 34 A 4.7622 7.6282 120.1257 52.0707 19.3085 176.5415 35 E 4.6576 9.6633 120.2563 55.6181 34.5386 176.0368 36 G 3.9889 10.2795 106.7114 45.6142 0.0000 171.0166 37 G 2.6412 7.9115 107.4681 45.9926 0.0000 172.0680 38 P 3.4874 0.0000 0.0000 63.8999 32.7715 176.2603 39 G 3.6605 7.6477 111.4721 46.7910 0.0000 173.9257 40 A 4.3304 8.1615 124.7116 50.7506 20.1752 174.6009 41 W 5.4910 8.2146 121.9242 55.8643 31.8291 175.6599 42 R 5.1449 9.0841 118.8155 54.5650 32.8031 173.5476 43 L 4.8291 9.2726 125.6869 53.5710 43.4172 175.6041 44 S 4.5388 9.0082 122.7172 58.1360 63.5332 174.0020 45 R 4.6664 8.3037 123.8005 55.6686 31.7048 177.1375 46 A 3.9442 7.8471 123.2796 55.5422 18.5412 180.8935 47 A 4.0228 8.1320 116.5559 55.3083 18.6040 178.7146 48 A 4.0207 7.9007 117.3832 53.5675 18.6417 177.9287 49 G 3.9370 8.2580 102.7189 46.5112 0.0000 173.0958 50 R 4.6504 7.6098 115.7471 53.5768 34.1304 175.4335 51 G 4.0271 8.2819 106.9223 44.7936 0.0000 171.4934 52 P 4.6874 0.0000 0.0000 62.6462 32.1684 176.2344 53 L 4.5958 8.8454 126.4955 53.4012 43.5577 175.2754 54 D 5.2099 8.7419 127.1337 54.3999 40.7561 175.8881 55 L 4.7746 8.9144 121.3652 54.8676 43.8505 176.0853 56 A 4.7350 9.2194 121.6202 52.9022 21.3532 175.8790 57 A 5.3369 7.9070 114.6509 50.4489 21.8649 176.1211 58 V 4.8713 8.8320 112.3195 59.7063 36.2929 174.6210 59 W 5.2300 9.2100 132.1028 55.1796 33.4764 175.0168 *61 Q 4.0377 8.4881 121.9533 55.2904 29.2235 174.8301 62 G 4.0481 6.9420 109.2305 45.4831 0.0000 172.0225 63 R 4.6912 7.9535 118.8243 55.4622 31.5823 176.6551 64 V 3.8901 8.7910 124.7263 63.0749 31.9136 176.5793 65 V 3.7832 8.6992 128.1878 64.0109 32.4092 175.7333 *67 A 4.0844 7.8292 122.1444 52.1105 19.3605 175.2904 68 D 4.3825 8.6767 122.6964 53.4534 42.7010 176.1715 69 R 3.6834 7.9246 124.3105 58.4878 27.2527 175.8697 70 G 4.1072 9.2716 111.6805 43.9807 0.0000 171.7330 71 E 5.4044 7.9833 117.5747 54.8328 33.8260 174.8647 72 A 4.8015 8.7619 122.1437 50.9734 23.5526 175.0289 73 R 4.7653 8.4176 119.2905 54.4902 32.9976 174.7385 74 L 4.9504 8.6304 125.9808 52.8173 45.7628 175.4081 75 R 5.0767 8.4728 120.1485 55.1032 33.6002 174.0750 76 D 5.3646 9.2181 126.3499 50.9570 42.3207 175.5102 77 P 4.4242 0.0000 0.0000 64.8073 31.2557 177.4794 78 S 4.5796 10.3681 111.4602 57.4478 63.8249 174.3329 79 G 4.1087 6.9322 108.7955 45.0449 0.0000 171.4211 80 D 5.4155 7.8857 119.9268 53.1705 42.9867 175.7147 81 F 5.1846 8.3140 113.9133 56.1267 41.4010 173.2822 82 S 5.2179 8.9970 115.2298 56.7114 66.3261 172.9178 83 V 4.9215 8.9254 120.5117 61.3983 34.8479 174.5257 84 R 4.9899 8.8626 125.3261 54.9579 34.8244 176.0654 85 G 4.0328 8.7389 105.8273 46.0350 0.0000 175.6708 86 L 4.1308 7.9917 121.3080 56.5371 41.4713 178.8688 87 E 4.1670 8.1537 116.2243 57.9019 29.8912 177.9982 88 R 4.4500 7.7398 117.3818 56.2660 30.9950 176.9190 89 V 3.9871 7.0825 110.4254 59.5555 32.4609 174.2573 90 P 4.2454 0.0000 0.0000 63.3056 31.5040 177.6584 91 R 4.2747 8.3750 122.2765 55.1620 29.1128 176.8166 92 G 4.1245 7.7584 114.2248 43.9249 0.0000 170.8111 93 R 3.8845 8.5865 119.3705 56.2511 30.5283 174.5999 94 P 4.4727 0.0000 0.0000 62.7144 31.9390 175.9995 95 C 4.7270 8.3315 114.4036 57.8741 31.4655 174.9574 96 L 4.2853 7.6975 123.2152 54.1603 40.2123 176.0298 97 V 4.3855 7.0939 119.7069 59.9659 35.0819 172.3801 98 P 4.5974 0.0000 0.0000 64.3653 31.5497 175.4919 99 G 4.1667 8.8917 111.9080 45.6360 0.0000 174.5413 100 K 4.2049 8.1799 119.2724 56.5656 33.1939 175.5887 101 Y 4.9249 8.9636 125.5943 56.0732 40.2530 173.1684 102 V 4.6477 7.7559 123.6230 59.5246 36.3311 173.4035 *104 V 4.9024 7.6182 122.9252 63.8021 32.3470 174.3676 *106 G 3.9025 8.1760 103.8287 46.3897 0.0000 171.8956 107 V 4.6503 8.3439 120.5759 61.4353 33.1634 175.2828 108 V 4.0104 8.6200 128.9643 63.3216 31.1117 175.4254 109 Q 4.7939 9.0020 126.9756 57.0445 30.5823 175.7012 110 A 4.5320 7.4506 118.1535 51.2364 22.3637 176.7379 111 C 4.2883 8.5178 115.7837 60.0954 30.9207 174.4874 112 S 4.8863 7.6161 111.3578 55.5728 65.0446 171.9317 113 P 4.4390 0.0000 0.0000 64.3741 31.5621 175.9534 114 E 4.5947 7.7526 119.4379 53.5129 32.5543 172.7338 115 P 4.5589 0.0000 0.0000 63.1445 32.7690 174.7237 116 C 5.3902 9.1062 123.6783 57.6207 34.9855 172.5892 117 L 5.2773 8.9478 124.8887 52.9819 45.4916 175.1427 118 Q 4.7244 8.9260 123.8632 54.3447 30.4153 174.7339 119 A 4.2850 9.0406 129.9868 52.2988 18.4903 177.0462 120 V 4.0711 8.2355 120.4219 63.9265 33.8180 174.8208 121 K 4.1803 7.2508 117.8376 56.0505 34.4951 173.1958 *123 T 4.2668 8.1077 113.9384 63.2677 69.4181 172.8939 124 D 4.5574 8.5122 125.2171 54.3239 41.8056 175.6741 125 L 4.8658 8.6007 125.2527 54.6060 42.9826 177.9604 126 S 4.3513 8.1770 118.1720 61.6106 63.0620 175.3023 127 D 4.3776 8.4183 118.9993 56.7941 40.9365 175.7310 128 N 4.7966 8.0220 120.2849 51.1801 39.4552 173.3005 129 P 4.3308 0.0000 0.0000 65.2019 31.1469 178.2264 130 I 3.7224 7.9290 119.7750 64.4949 36.9786 177.4134 131 H 4.4169 7.6356 116.5779 59.1729 28.7387 177.0566 132 E 3.8369 7.7400 120.1510 58.4800 29.3906 178.3958 133 S 4.2612 7.4359 111.6528 58.8841 62.5365 175.1841 *135 W 5.3193 8.1550 131.0692 57.7267 32.3159 177.0614 136 E 3.6833 8.2269 117.1729 59.4279 28.8165 179.3394 137 L 3.9425 7.7641 118.4139 57.6165 41.6466 179.1988 138 E 3.7940 7.7927 118.1500 59.2490 29.4341 179.4007 139 V 3.0692 7.0617 118.1465 65.6889 31.6380 177.6657 140 E 3.7920 7.9074 119.0204 59.2498 29.2451 178.2800 141 D 4.2362 8.1007 117.2984 57.1303 41.5838 177.6421 142 L 3.9844 7.8974 120.9293 58.6171 41.9110 178.7870 143 H 4.1090 7.7964 114.5749 58.5590 28.6411 177.4726 144 R 4.0905 7.7918 119.1318 57.9969 29.9058 176.9947 145 N 5.1087 7.7386 115.6218 51.9821 40.1284 174.1699 146 I 4.4843 7.2248 120.9794 58.4683 39.9505 173.9542 147 P 4.4103 0.0000 0.0000 63.0733 31.0026 176.1082 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 17 L 8.18 4.33 0.00 1.66 1.81 0.93 0.74 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 18 P 0.00 4.23 0.00 2.30 2.03 0.00 3.68 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 2.05 2.15 0.00 19 R 8.42 4.25 0.00 1.93 2.06 0.00 3.01 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 20 S 7.64 4.83 0.00 4.02 3.92 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 21 P 0.00 4.57 0.00 2.27 2.14 0.00 3.80 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 2.03 1.98 0.00 22 P 0.00 4.74 0.00 2.25 2.18 0.00 3.86 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 23 L 8.25 4.10 0.00 1.84 1.66 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.60 4.92 0.00 1.37 1.22 0.00 1.31 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.67 1.17 7.81 25 V 8.66 4.71 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 0.73 0.00 0.00 0.90 0.00 0.00 26 L 8.83 4.68 0.00 1.62 1.56 0.82 1.11 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 27 A 9.47 3.96 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 28 E 8.46 3.94 0.00 2.20 2.23 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 2.26 2.32 0.00 29 Q 7.95 3.97 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 30 L 7.68 3.90 0.00 1.58 1.53 0.73 0.73 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 31 R 7.79 4.33 0.00 1.92 1.95 0.00 3.11 0.00 0.00 3.02 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 32 R 8.26 4.27 0.00 1.78 2.08 0.00 3.28 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 33 D 8.11 4.91 0.00 2.74 2.80 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 34 A 7.63 4.76 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 35 E 9.66 4.66 0.00 1.90 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 0.00 2.26 2.44 0.00 36 G 10.28 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 0.00 0.00 0.00 37 G 7.91 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 0.00 0.00 0.00 38 P 0.00 3.49 0.00 1.95 1.93 0.00 3.25 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.10 0.00 39 G 7.65 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.16 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.21 5.49 0.00 3.71 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 42 R 9.08 5.14 0.00 1.86 2.01 0.00 2.78 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 43 L 9.27 4.83 0.00 1.79 1.61 0.93 0.41 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 44 S 9.01 4.54 0.00 3.91 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 45 R 8.30 4.67 0.00 1.99 1.82 0.00 3.23 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 46 A 7.85 3.94 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 47 A 8.13 4.02 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 48 A 7.90 4.02 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 49 G 8.26 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 50 R 7.61 4.65 0.00 1.75 1.80 0.00 3.48 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 51 G 8.28 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 52 P 0.00 4.69 0.00 1.97 2.02 0.00 3.66 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 2.04 2.10 0.00 53 L 8.85 4.60 0.00 1.76 1.57 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.74 5.21 0.00 2.64 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 55 L 8.91 4.77 0.00 1.79 1.77 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 56 A 9.22 4.74 1.37 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 57 A 7.91 5.34 1.24 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 0.00 0.00 58 V 8.83 4.87 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 0.68 0.00 0.00 0.96 0.00 0.00 59 W 9.21 5.23 0.00 3.58 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 *61 Q 8.49 4.04 0.00 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.00 62 G 6.94 4.05 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 0.00 0.00 0.00 63 R 7.95 4.69 0.00 1.82 1.90 0.00 3.36 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 64 V 8.79 3.89 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 0.92 0.00 0.00 0.95 0.00 0.00 65 V 8.70 3.78 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 0.76 0.00 0.00 0.93 0.00 0.00 *67 A 7.83 4.08 1.24 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 0.00 0.00 68 D 8.68 4.38 0.00 2.58 2.49 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 69 R 7.92 3.68 0.00 1.88 2.01 0.00 3.38 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 70 G 9.27 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.98 5.40 0.00 2.02 1.78 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 2.20 2.21 0.00 72 A 8.76 4.80 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 0.00 0.00 0.00 0.00 0.00 73 R 8.42 4.77 0.00 1.78 1.66 0.00 3.08 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 74 L 8.63 4.95 0.00 0.27 0.96 0.83 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.47 5.08 0.00 1.91 1.70 0.00 3.08 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 76 D 9.22 5.36 0.00 3.16 3.36 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 77 P 0.00 4.42 0.00 2.17 2.25 0.00 3.89 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 2.24 2.21 0.00 78 S 10.37 4.58 0.00 3.93 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 79 G 6.93 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.89 5.42 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.31 5.18 0.00 3.20 3.02 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 0.00 0.00 0.00 0.00 82 S 9.00 5.22 0.00 3.95 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 83 V 8.93 4.92 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 0.98 0.00 0.00 1.03 0.00 0.00 84 R 8.86 4.99 0.00 1.76 1.77 0.00 3.25 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 85 G 8.74 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 86 L 7.99 4.13 0.00 1.71 1.70 0.89 0.70 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 87 E 8.15 4.17 0.00 2.10 2.19 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 2.35 2.27 0.00 88 R 7.74 4.45 0.00 1.94 1.99 0.00 3.15 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 1.58 1.57 0.00 89 V 7.08 3.99 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 0.67 0.00 0.00 0.95 0.00 0.00 90 P 0.00 4.25 0.00 1.99 1.96 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 91 R 8.38 4.27 0.00 1.78 1.88 0.00 3.18 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 92 G 7.76 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 93 R 8.59 3.88 0.00 1.79 1.90 0.00 3.21 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 94 P 0.00 4.47 0.00 2.02 1.96 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 95 C 8.33 4.73 0.00 2.97 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 96 L 7.70 4.29 0.00 1.58 1.62 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.09 4.39 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 0.97 0.00 0.00 0.92 0.00 0.00 98 P 0.00 4.60 0.00 2.06 2.12 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 99 G 8.89 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 0.00 0.00 0.00 0.00 100 K 8.18 4.20 0.00 1.85 1.73 0.00 1.86 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.65 7.81 101 Y 8.96 4.92 0.00 3.07 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 0.00 102 V 7.76 4.65 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 0.78 0.00 0.00 0.76 0.00 0.00 *104 V 7.62 4.90 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 0.86 0.00 0.00 0.93 0.00 0.00 *106 G 8.18 3.90 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 0.00 0.00 0.00 107 V 8.34 4.65 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 1.13 0.00 0.00 0.96 0.00 0.00 108 V 8.62 4.01 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 -0.13 0.00 0.00 0.77 0.00 0.00 109 Q 9.00 4.79 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.39 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 110 A 7.45 4.53 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 0.00 111 C 8.52 4.29 0.00 2.72 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 0.00 112 S 7.62 4.89 0.00 3.77 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 0.00 113 P 0.00 4.44 0.00 2.23 2.17 0.00 3.78 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 2.00 1.96 0.00 114 E 7.75 4.59 0.00 1.89 1.82 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 2.22 2.35 0.00 115 P 0.00 4.56 0.00 2.14 1.85 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 116 C 9.11 5.39 0.00 2.93 2.70 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 0.00 117 L 8.95 5.28 0.00 1.65 1.52 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.93 4.72 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 119 A 9.04 4.28 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 0.00 120 V 8.24 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 0.80 0.00 0.00 0.93 0.00 0.00 121 K 7.25 4.18 0.00 1.70 1.50 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.28 1.35 7.81 *123 T 8.11 4.27 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 124 D 8.51 4.56 0.00 2.59 2.55 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 0.00 125 L 8.60 4.87 0.00 1.89 1.68 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.18 4.35 0.00 3.89 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 0.00 127 D 8.42 4.38 0.00 2.66 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 0.00 128 N 8.02 4.80 0.00 2.80 2.78 0.00 0.00 6.87 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 0.00 129 P 0.00 4.33 0.00 2.27 2.27 0.00 3.75 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 2.06 2.04 0.00 130 I 7.93 3.72 1.89 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 1.67 0.79 0.90 0.00 0.00 131 H 7.64 4.42 0.00 3.22 3.60 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 7.74 3.84 0.00 1.16 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.79 0.00 133 S 7.44 4.26 0.00 4.03 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 *135 W 8.16 5.32 0.00 3.75 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 0.00 136 E 8.23 3.68 0.00 2.01 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 2.38 2.47 0.00 137 L 7.76 3.94 0.00 1.64 1.66 0.91 0.93 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 0.00 138 E 7.79 3.79 0.00 1.92 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 139 V 7.06 3.07 1.70 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 0.78 0.00 0.00 -0.45 0.00 0.00 140 E 7.91 3.79 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 2.24 2.25 0.00 141 D 8.10 4.24 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.90 3.98 0.00 1.61 1.48 0.78 0.86 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 0.00 143 H 7.80 4.11 0.00 3.20 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.79 4.09 0.00 1.89 2.09 0.00 3.19 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 145 N 7.74 5.11 0.00 2.66 2.76 0.00 0.00 6.76 7.54 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 0.00 146 I 7.22 4.48 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.75 0.90 0.00 0.00 147 P 0.00 4.41 0.00 2.17 2.04 0.00 3.79 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 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.