NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7271 8.3027 120.3407 55.4573 31.2951 173.5131 2 L 3.7891 8.1433 127.6924 58.3923 41.8076 178.3170 3 L 4.1415 9.0292 119.4131 57.3334 42.0833 178.8456 4 Q 4.1206 8.2731 118.7229 58.6199 28.6823 177.9971 5 F 4.4642 8.2895 121.2117 61.6806 39.5088 177.1505 6 R 3.7585 8.3701 117.8523 59.0638 29.8040 179.1453 7 K 4.0383 8.0743 118.2119 59.9993 32.1222 179.2642 8 M 4.3895 8.2630 118.7701 58.4753 31.7416 179.0555 9 I 3.6791 7.7184 120.0284 64.1118 37.2026 178.2181 10 K 4.2703 8.0005 121.8318 58.8197 31.7813 178.6786 11 K 3.8857 8.0421 118.4474 59.9582 32.2755 178.4631 12 M 4.3486 8.3568 117.9918 57.7641 31.9974 177.8795 13 T 4.4637 8.3735 108.0208 60.8410 70.5838 175.8922 14 G 3.8594 8.4042 110.3459 45.6643 0.0000 173.3369 *16 K 4.4606 7.5396 117.8025 55.8415 32.9638 174.6573 17 E 4.1195 8.5167 123.7576 55.5928 30.1514 175.9099 18 P 4.4673 0.0000 0.0000 65.5760 32.1235 179.0203 19 V 3.6563 7.9221 118.0943 65.8844 31.7864 178.4164 20 V 3.8978 7.8166 118.1390 64.5495 31.5694 177.6774 21 S 4.3857 7.6149 114.7927 59.9047 62.9131 174.5791 22 Y 4.6540 8.2493 115.1363 57.7579 40.2665 177.2936 23 A 4.0290 8.2263 122.3345 54.0654 18.6216 178.5027 24 F 4.9601 8.0933 113.0154 57.0686 40.7512 173.7455 25 Y 4.4190 8.2081 123.7874 58.2974 39.5113 176.7100 26 G 3.7297 8.1679 116.2795 46.0313 0.0000 172.5784 27 C 4.5427 8.8542 114.6034 57.9351 39.3904 174.2830 28 Y 4.4025 8.5850 115.7423 57.8554 39.5808 176.6974 29 C 4.6556 8.4294 116.2767 58.5867 40.7800 173.8763 30 G 4.1412 7.1092 105.9536 44.5068 0.0000 173.0285 31 S 4.1675 8.4107 115.8182 59.7823 63.6572 175.7731 32 G 3.8316 8.1611 112.7315 45.6279 0.0000 170.9525 33 G 4.1329 7.6923 111.3329 45.1831 0.0000 172.9072 34 R 4.6196 7.1484 121.1977 55.6701 34.0334 174.3975 35 G 4.0260 8.9208 103.5139 45.6524 0.0000 171.7828 36 K 4.6277 8.2892 120.4653 53.7046 33.6385 175.4221 37 P 4.5130 0.0000 0.0000 63.2723 31.5671 176.6914 38 K 3.8593 9.0303 123.5657 59.0694 32.3516 176.1443 39 D 4.4197 7.2375 115.5433 51.6614 41.8079 175.5883 40 A 4.0451 8.5145 119.7005 55.8187 18.2162 179.9038 41 T 3.9940 8.0535 113.8773 66.9984 68.5071 176.1635 42 D 4.5804 8.5214 119.8921 57.4361 41.2838 178.2589 43 R 3.9370 8.2316 119.1937 59.2593 30.0009 177.9630 44 C 4.2656 8.2420 116.7703 60.2275 41.0004 175.3252 45 C 4.3157 8.3888 118.1475 59.8229 40.9092 175.9846 46 F 3.7039 8.4782 122.6057 61.2609 38.8854 177.3587 47 V 3.2907 7.8171 117.8055 66.0764 31.2112 177.4840 48 H 3.8438 8.0841 118.0054 59.0757 29.7324 176.8873 49 D 4.1123 8.0037 120.7955 57.7221 40.5343 178.3282 50 C 4.1288 7.8145 116.8174 59.9400 39.8280 175.3979 51 C 4.1990 7.9591 119.8364 59.8556 37.6241 174.9816 52 Y 4.0308 7.9899 118.4816 60.8388 37.1907 177.7712 53 E 4.0066 7.9855 119.4270 58.8595 29.7828 178.4071 54 K 4.2665 7.4438 115.4562 56.5736 32.3316 177.0187 55 V 3.7929 7.0641 119.7237 62.3540 31.8128 175.0776 56 T 4.4343 8.2678 123.9891 61.7627 71.1218 175.4084 *59 G 4.4461 8.7564 113.2384 45.5286 0.0000 171.4238 *61 C 5.0426 7.6278 112.5691 55.2091 43.4419 172.3215 *67 D 4.6579 8.4553 117.9500 53.3313 41.0551 173.9385 68 P 3.8038 0.0000 0.0000 65.4921 31.3335 177.6635 69 K 3.7004 7.6762 119.4339 57.2649 32.2334 177.4293 70 W 4.7341 7.6255 115.3464 56.1720 30.2775 175.0075 71 D 4.9347 7.9456 118.6632 52.9582 41.9154 175.8713 72 D 4.7466 8.3661 121.5271 53.5148 42.1196 175.1254 73 Y 4.9141 7.6112 119.1421 55.4952 41.2131 174.5217 74 T 4.8042 8.5020 116.1329 62.2832 70.1846 173.8753 75 Y 5.4576 8.4726 123.6996 55.5896 41.8080 174.0020 76 S 4.4970 9.0216 113.7848 56.9128 67.4369 172.7903 77 W 5.2243 8.8456 120.3690 55.2512 30.0616 175.8853 78 K 4.5141 9.1088 127.3025 55.6112 33.3120 175.6510 79 N 4.3321 10.2644 123.7617 54.4521 36.2392 175.2193 80 G 4.1596 8.9135 105.5880 45.4408 0.0000 174.1844 81 T 4.8238 8.1856 116.0069 61.5639 71.6372 172.7469 82 I 3.9618 7.8530 123.9405 60.3533 38.3855 175.4966 83 V 4.2664 8.6591 127.2768 61.1566 33.7317 173.7736 84 C 4.7237 8.8143 126.2133 56.2510 40.6376 173.1312 85 G 3.7785 8.8949 113.7006 47.0241 0.0000 173.3464 86 G 3.9522 8.7542 113.1984 45.3088 0.0000 173.1659 *88 D 4.8663 8.2623 115.3977 53.6179 42.7137 175.8864 89 D 4.6314 7.7855 120.3338 52.5219 42.0162 174.8049 90 P 4.2810 0.0000 0.0000 65.7837 31.4359 179.0198 91 C 4.1870 8.2763 118.4604 59.5627 44.8027 175.6561 92 K 3.9364 8.1566 119.6711 59.3343 31.7017 179.1501 93 K 3.8394 7.9893 119.6663 59.1891 32.1048 178.4080 94 E 3.7921 8.0379 119.7694 59.1362 29.5685 179.0152 95 V 3.3230 7.4864 117.8897 66.0663 31.5211 176.9940 96 C 2.8029 7.6139 118.0903 59.4447 43.9257 175.4871 97 E 3.6213 8.0082 119.9037 59.3030 28.9121 178.7461 98 C 4.1662 7.8163 116.1812 60.0378 41.4474 175.9064 99 D 3.6465 7.6638 120.1432 56.9083 40.4146 178.6023 100 K 3.7030 7.9848 120.1044 59.5428 32.2110 178.4881 101 A 3.8733 7.8606 120.6075 55.1307 18.1523 179.5124 102 A 3.4837 7.8100 118.9359 55.0814 18.2718 179.7882 103 A 3.8963 8.0636 119.3230 55.1248 18.3405 180.0419 104 I 3.6442 7.7630 118.3982 64.7037 37.0108 177.5556 105 C 4.0969 7.8095 117.8913 59.9850 38.2568 175.3990 106 F 4.5674 8.1437 119.3336 60.4926 38.4094 177.7166 107 R 3.9299 7.8165 118.3779 59.6554 29.8525 178.2867 108 D 4.6330 8.2308 116.6744 56.1777 40.9364 176.8624 109 N 5.0844 7.6722 116.2586 52.7394 39.2848 176.1772 110 L 4.1634 8.1873 124.1867 57.7648 42.3349 179.4678 111 K 4.0547 8.2444 117.3271 59.2618 32.6143 177.5181 112 T 4.4213 7.7732 107.2203 61.0073 68.7330 173.5561 113 Y 4.0061 7.9046 124.3960 58.3153 38.8595 174.9164 114 K 4.7805 8.8770 128.0711 54.3304 33.6474 177.8064 115 K 3.9979 8.7653 125.7086 59.1094 32.3138 178.5509 116 R 3.9352 7.7063 113.8002 58.2537 29.6346 176.5602 117 Y 4.5476 7.5819 116.0055 57.8437 38.2189 177.0781 118 M 4.0744 7.6220 120.0998 58.0594 32.9417 176.3116 119 A 4.9218 7.5339 120.4250 50.6838 19.2243 175.7958 120 Y 4.1562 7.6806 122.5547 56.9808 39.8576 173.9404 121 P 4.1296 0.0000 0.0000 62.4147 31.8582 176.5930 122 D 4.1758 8.7983 124.0181 57.0880 41.2297 177.9777 *124 I 4.1330 7.5793 110.2741 60.5055 39.2179 176.1325 125 L 4.2330 7.6853 119.4021 55.4749 41.7973 176.0434 126 C 4.5990 7.8564 117.7859 55.7382 40.8727 173.6283 127 S 4.3144 8.6495 119.2117 58.4705 62.6072 174.5900 128 S 4.1628 8.5922 117.3480 61.1011 63.1829 174.7498 129 K 3.9623 7.8927 126.1347 56.3556 31.3103 175.9885 130 S 4.9639 8.3392 120.2964 57.3233 64.0540 174.2834 131 E 4.1697 8.6949 125.1170 56.2917 30.0725 176.2919 132 K 4.6303 8.4979 124.2054 55.2889 34.0273 177.5712 133 C 4.4200 8.6569 118.9739 57.4325 41.2049 173.7871 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 H 8.30 4.73 0.00 3.33 3.16 0.00 5.88 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.14 3.79 0.00 1.51 1.57 1.09 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.03 4.14 0.00 1.79 1.77 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.27 4.12 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00 5 F 8.29 4.46 0.00 3.25 3.25 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 6 R 8.37 3.76 0.00 2.10 1.98 0.00 3.24 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 1.57 1.84 0.00 7 K 8.07 4.04 0.00 2.30 2.14 0.00 1.65 0.00 0.00 1.90 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.70 1.68 7.81 8 M 8.26 4.39 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.20 0.00 9 I 7.72 3.68 1.66 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.30 0.58 0.00 0.00 10 K 8.00 4.27 0.00 1.90 2.16 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.39 7.81 11 K 8.04 3.89 0.00 2.16 2.03 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.62 1.14 7.81 12 M 8.36 4.35 0.00 2.11 2.27 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 2.73 3.07 0.00 13 T 8.37 4.46 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 1.23 0.00 0.00 14 G 8.40 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 *16 K 7.54 4.46 0.00 1.97 1.70 0.00 1.47 0.00 0.00 1.08 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.44 7.81 17 E 8.52 4.12 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 18 P 0.00 4.47 0.00 2.19 1.99 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 19 V 7.92 3.66 2.37 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 1.17 0.00 0.00 0.99 0.00 0.00 20 V 7.82 3.90 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 0.80 0.00 0.00 0.99 0.00 0.00 21 S 7.61 4.39 0.00 3.56 3.44 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 22 Y 8.25 4.65 0.00 2.99 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.23 4.03 1.04 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 0.00 0.00 24 F 8.09 4.96 0.00 3.28 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 25 Y 8.21 4.42 0.00 2.93 2.84 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 0.00 0.00 0.00 26 G 8.17 3.73 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 0.00 0.00 0.00 27 C 8.85 4.54 0.00 3.05 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 Y 8.58 4.40 0.00 3.35 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 29 C 8.43 4.66 0.00 3.43 3.51 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 30 G 7.11 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 31 S 8.41 4.17 0.00 3.94 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 32 G 8.16 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.69 4.13 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 0.00 0.00 0.00 34 R 7.15 4.62 0.00 1.79 1.65 0.00 3.29 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 35 G 8.92 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 36 K 8.29 4.63 0.00 1.70 1.70 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.35 7.81 37 P 0.00 4.51 0.00 1.94 1.98 0.00 3.55 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 38 K 9.03 3.86 0.00 0.85 0.82 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.81 0.21 7.81 39 D 7.24 4.42 0.00 2.81 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 40 A 8.51 4.05 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 41 T 8.05 3.99 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 0.76 0.00 0.00 42 D 8.52 4.58 0.00 3.07 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 43 R 8.23 3.94 0.00 2.05 2.13 0.00 3.12 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 44 C 8.24 4.27 0.00 3.28 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 45 C 8.39 4.32 0.00 3.46 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 0.00 46 F 8.48 3.70 0.00 2.58 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 47 V 7.82 3.29 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 0.91 0.00 0.00 1.00 0.00 0.00 48 H 8.08 3.84 0.00 3.05 3.30 0.00 5.65 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 49 D 8.00 4.11 0.00 2.69 2.61 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 0.00 0.00 0.00 50 C 7.81 4.13 0.00 2.75 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 51 C 7.96 4.20 0.00 2.97 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 52 Y 7.99 4.03 0.00 3.01 2.84 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 0.00 0.00 0.00 53 E 7.99 4.01 0.00 2.09 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 2.30 2.35 0.00 54 K 7.44 4.27 0.00 1.88 1.79 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.62 7.81 55 V 7.06 3.79 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 0.61 0.00 0.00 0.83 0.00 0.00 56 T 8.27 4.43 4.21 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 1.19 0.00 0.00 *59 G 8.76 4.45 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 0.00 *61 C 7.63 5.04 0.00 3.35 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 *67 D 8.46 4.66 0.00 2.78 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 3.80 0.00 0.49 1.26 0.00 3.67 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 69 K 7.68 3.70 0.00 1.42 0.74 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.69 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 1.06 7.81 70 W 7.63 4.73 0.00 3.34 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 71 D 7.95 4.93 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 72 D 8.37 4.75 0.00 2.64 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 73 Y 7.61 4.91 0.00 2.99 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 74 T 8.50 4.80 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 75 Y 8.47 5.46 0.00 2.95 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 76 S 9.02 4.50 0.00 3.86 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 77 W 8.85 5.22 0.00 3.18 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 9.11 4.51 0.00 1.79 1.68 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.40 7.81 79 N 10.26 4.33 0.00 2.90 2.88 0.00 0.00 7.43 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.91 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 0.00 0.00 0.00 81 T 8.19 4.82 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 82 I 7.85 3.96 1.51 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.54 0.00 0.00 83 V 8.66 4.27 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 1.04 0.00 0.00 0.92 0.00 0.00 84 C 8.81 4.72 0.00 2.97 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 85 G 8.89 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.75 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 *88 D 8.26 4.87 0.00 2.71 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 89 D 7.79 4.63 0.00 2.71 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 90 P 0.00 4.28 0.00 2.27 2.27 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 91 C 8.28 4.19 0.00 3.02 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 92 K 8.16 3.94 0.00 1.87 1.95 0.00 1.86 0.00 0.00 2.01 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.51 7.81 93 K 7.99 3.84 0.00 1.93 1.74 0.00 1.61 0.00 0.00 1.52 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.37 7.81 94 E 8.04 3.79 0.00 2.08 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 2.19 2.23 0.00 95 V 7.49 3.32 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 0.85 0.00 0.00 0.77 0.00 0.00 96 C 7.61 2.80 0.00 1.81 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 97 E 8.01 3.62 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 98 C 7.82 4.17 0.00 3.19 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 99 D 7.66 3.65 0.00 2.71 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 0.00 100 K 7.98 3.70 0.00 1.55 1.68 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.28 7.81 101 A 7.86 3.87 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.81 3.48 1.03 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 0.00 103 A 8.06 3.90 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 0.00 104 I 7.76 3.64 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.90 0.00 0.00 105 C 7.81 4.10 0.00 2.95 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 0.00 106 F 8.14 4.57 0.00 3.06 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 0.00 107 R 7.82 3.93 0.00 1.99 2.14 0.00 3.30 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 108 D 8.23 4.63 0.00 2.83 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 0.00 109 N 7.67 5.08 0.00 2.88 2.86 0.00 0.00 6.46 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.19 4.16 0.00 2.08 1.71 0.87 0.28 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 0.00 111 K 8.24 4.05 0.00 1.95 1.98 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.27 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 T 7.77 4.42 4.34 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 1.27 0.00 0.00 113 Y 7.90 4.01 0.00 3.06 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 0.00 114 K 8.88 4.78 0.00 1.75 1.46 0.00 2.07 0.00 0.00 2.03 0.00 0.00 3.21 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.19 1.38 7.81 115 K 8.77 4.00 0.00 1.86 1.84 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.42 7.81 116 R 7.71 3.94 0.00 1.71 1.85 0.00 2.64 0.00 0.00 2.94 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.58 0.00 117 Y 7.58 4.55 0.00 2.06 1.64 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 0.00 118 M 7.62 4.07 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.66 0.00 119 A 7.53 4.92 1.17 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 0.00 120 Y 7.68 4.16 0.00 3.12 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 0.00 121 P 0.00 4.13 0.00 1.83 1.79 0.00 2.83 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 1.88 1.91 0.00 122 D 8.80 4.18 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 I 7.58 4.13 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 0.87 0.00 0.00 125 L 7.69 4.23 0.00 1.35 1.79 0.35 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.86 4.60 0.00 3.08 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 0.00 127 S 8.65 4.31 0.00 3.84 3.82 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 0.00 128 S 8.59 4.16 0.00 4.04 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 0.00 129 K 7.89 3.96 0.00 1.89 1.85 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.43 7.81 130 S 8.34 4.96 0.00 3.86 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 0.00 131 E 8.69 4.17 0.00 1.69 1.18 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 2.20 2.16 0.00 132 K 8.50 4.63 0.00 1.73 1.76 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.52 7.81 133 C 8.66 4.42 0.00 2.89 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 * Residues marked with a * may have inaccurate shift predictions.