NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4720 8.4345 116.8263 57.9871 64.6519 174.1063 3 S 4.1718 8.4455 119.1949 57.9098 62.6853 175.5201 4 S 4.3651 8.9227 118.6634 60.8761 63.0127 176.0491 5 G 3.9228 7.8961 105.2879 46.8364 0.0000 174.1665 6 T 4.0645 7.5303 117.7458 64.1874 69.4904 173.3132 7 S 5.1808 8.2545 117.9850 57.2849 65.5114 173.2416 8 I 4.9145 9.0949 118.4423 59.7026 41.1003 174.1845 9 T 5.3307 8.4908 118.7411 62.5414 72.7437 172.4950 10 C 4.7361 8.7559 118.2988 57.3318 33.8766 172.0901 11 E 4.9866 8.5105 117.8811 54.4898 31.9160 176.0665 12 V 4.3317 8.5275 122.9252 60.7753 35.1854 174.7120 13 G 4.0111 8.6753 114.9993 46.3110 0.0000 172.5174 14 L 5.2217 9.0543 123.6665 53.1096 47.1294 175.1937 15 Q 4.9514 8.8464 118.0105 54.2134 32.9864 174.6582 16 L 4.9857 8.9533 126.1466 54.1231 43.3053 175.2579 17 I 4.4971 8.6200 131.3207 60.7292 38.2776 176.7145 18 V 4.3278 7.7278 124.4724 59.4137 33.3976 171.3363 19 P 3.7852 0.0000 0.0000 63.7868 32.2278 176.7521 20 D 4.9456 7.8478 120.5540 53.7231 40.7368 179.2013 21 R 4.7691 7.9523 116.8526 54.8239 33.5754 177.6449 22 A 4.3150 8.3160 120.8869 51.6774 19.1330 175.9995 23 P 4.6029 0.0000 0.0000 62.8794 32.4511 176.1529 24 V 4.4641 8.2032 122.9235 60.3425 33.6620 173.1618 25 P 5.0534 0.0000 0.0000 62.9895 32.3081 175.4890 26 L 4.6472 8.8508 120.8856 54.7252 43.9478 174.1124 27 V 4.7221 7.7501 120.6807 59.9910 33.9048 174.2926 28 A 4.6756 8.6397 125.8765 49.9378 21.9472 175.0564 29 R 4.5153 8.4300 123.0113 54.8835 31.6472 174.9503 30 L 4.9096 8.2289 127.5403 53.3566 43.7500 175.5813 31 D 5.4078 8.7424 121.4031 52.2324 43.7190 173.4395 32 Y 5.0536 9.3396 120.7981 55.9624 42.5199 173.7743 33 S 4.8298 7.5687 119.9344 56.1909 64.9997 175.1622 34 V 3.2170 8.1649 120.5875 64.2102 31.3876 177.4232 35 D 4.4690 7.5166 118.4980 56.3005 41.4437 175.9706 36 D 4.8082 7.9282 118.9234 51.8466 40.8367 174.1848 37 P 4.4910 0.0000 0.0000 64.6400 32.2579 177.4134 38 Y 4.7605 7.9924 115.1832 58.1856 39.0176 174.8203 39 A 5.3633 8.1524 121.1345 50.2453 22.0855 176.2398 40 I 4.6954 8.6462 119.8700 59.6593 41.0572 175.2040 41 R 4.6813 8.8010 125.9026 55.2610 32.2902 175.5995 42 A 4.7136 9.3019 123.7032 50.2516 22.4737 174.8524 43 A 4.9386 8.7285 125.9832 50.6674 20.8662 175.5514 44 F 4.7973 8.5263 121.0492 57.3992 40.6361 175.2104 45 H 4.9958 8.3115 115.8050 54.7107 31.6496 172.9853 46 V 4.2441 8.5533 121.1556 62.0877 32.8002 176.1634 47 G 3.9770 8.1127 119.1385 47.3432 0.0000 173.1830 48 D 4.7682 8.8132 119.6168 54.5736 40.9891 175.3966 49 D 4.9413 7.3772 121.3185 52.8250 42.9388 177.5725 50 E 4.0989 8.5105 119.0840 55.4234 30.3983 173.9848 51 P 5.0345 0.0000 0.0000 61.8426 33.0381 175.7476 52 V 4.5492 8.3591 120.4355 60.0308 33.9887 174.0660 53 E 5.2334 9.0050 124.6943 54.4324 31.4145 174.7219 54 W 5.2275 9.6563 126.9506 55.1443 32.3361 174.7742 55 I 4.9201 8.4591 122.6343 59.2690 40.2235 174.1040 56 F 5.2524 8.4713 123.0016 54.9084 42.5410 173.6539 57 A 4.6609 8.9179 122.1064 52.2123 19.1111 178.2766 58 R 4.1144 9.5285 124.3769 59.7807 30.1098 178.7537 59 E 4.1859 8.4722 116.6206 59.3977 29.3694 178.7556 60 L 4.0151 7.9254 121.0460 57.9095 42.0109 178.6717 61 L 4.0285 8.0268 119.9731 58.2319 42.5027 178.7924 62 T 3.9829 7.9854 115.4855 66.6550 68.3818 176.8372 63 V 3.6404 8.1973 120.3587 65.9483 31.4209 178.3960 64 G 3.9750 8.2187 104.3624 48.5154 0.0000 175.4110 65 I 3.9100 7.4808 121.5096 63.8047 37.1031 177.7003 66 I 4.2097 6.9130 119.0226 62.2103 37.9968 176.0552 67 R 4.6488 7.8673 114.0432 54.3123 32.2923 173.5708 68 E 4.4548 8.7413 120.7676 57.4891 30.2672 175.6778 69 T 4.6432 8.9008 120.7283 61.4110 71.8427 171.6438 70 G 4.2770 8.2886 109.0595 46.4538 0.0000 173.1023 71 E 4.5708 8.7686 121.0290 55.6608 33.2710 176.1983 72 G 3.9336 8.6057 117.8532 47.1828 0.0000 175.2453 73 D 4.5273 8.8171 128.1747 54.9397 41.8570 175.9866 74 V 4.3293 7.4543 119.9406 62.5694 33.0590 175.0496 75 R 5.1467 8.9734 126.9369 55.0143 33.5718 173.5314 76 I 5.3271 9.0009 127.0597 59.3726 40.8075 174.5967 77 W 5.6406 8.6280 122.5704 54.5449 31.8096 172.5554 78 P 4.8681 0.0000 0.0000 62.7833 32.4585 174.5108 79 S 4.6455 8.1982 112.8270 57.7604 65.0880 173.1440 80 Q 4.9238 8.4586 121.8265 54.4045 31.7600 175.6869 81 D 4.9500 8.5524 118.6537 52.8252 42.8826 177.1412 82 G 3.7748 8.6991 116.7468 47.1715 0.0000 174.4917 83 K 4.2302 9.1751 125.0937 55.8973 33.0865 178.9662 84 E 4.2031 8.0187 118.1267 56.6290 30.0956 176.5452 85 R 4.6422 8.3058 122.8671 55.2886 32.6061 175.6452 *87 V 4.0190 8.0449 119.0950 61.7384 33.2929 173.8802 88 N 5.1681 8.5014 120.9926 51.2576 41.3372 173.4761 89 I 5.0511 8.3258 123.3908 59.4156 41.0070 174.4529 90 A 5.1484 9.4058 129.7643 50.8473 22.6421 175.2752 91 L 4.7991 8.5764 123.6971 53.7131 42.7109 174.1413 92 S 4.6660 8.7473 121.4429 56.9082 64.0102 173.9482 93 S 4.6328 8.2788 116.3963 56.2859 65.2119 173.2196 94 P 4.1172 0.0000 0.0000 65.4212 31.1373 177.4270 95 F 4.5178 7.4890 115.3532 57.4494 38.6423 175.9108 96 G 3.9320 7.9248 111.9368 46.0817 0.0000 174.6982 97 Q 4.4929 8.8013 124.4708 55.2487 28.9934 172.3399 98 A 4.8210 8.5846 124.8058 49.6377 22.5485 175.7170 99 R 4.8113 7.8730 117.4056 54.6857 34.5277 174.4096 100 F 5.4908 9.3096 123.2198 56.2960 42.2111 174.4747 101 H 5.2190 9.2303 120.4541 54.6517 32.6489 172.0363 102 A 5.0751 8.5587 126.6954 49.9942 22.4956 175.5490 103 Q 4.2400 8.4938 117.3817 55.7427 30.0341 177.3265 104 V 3.6768 8.5318 120.0037 65.9721 31.4930 178.0435 105 A 3.9812 8.0962 120.1873 55.2622 18.0907 177.7924 106 P 4.2336 0.0000 0.0000 65.5595 31.3926 178.9795 107 L 4.0693 7.8505 117.4599 57.7613 41.6131 179.2273 108 S 4.1308 8.7202 113.4290 61.4113 62.3707 175.7879 109 E 3.9731 8.5803 122.3537 59.2423 29.3777 178.5387 110 F 4.1500 8.3135 120.6172 61.3750 39.4069 177.0630 111 L 3.5725 8.3370 118.9611 57.8529 41.3816 178.9059 112 H 4.2535 8.6616 118.5937 59.4879 29.7374 177.4645 113 R 3.7637 7.9230 119.9747 59.3102 29.7488 179.1529 114 T 3.2538 7.0835 109.5248 64.8237 68.3028 176.2983 115 Y 4.5456 7.3281 119.9826 60.0027 37.8450 177.9653 116 E 4.0872 7.6802 119.2645 59.1538 29.5701 179.0460 117 L 4.3862 7.4068 117.8512 56.2756 42.2271 177.6551 118 V 4.2832 7.9711 121.3450 59.9691 32.8201 172.5997 119 P 4.5731 0.0000 0.0000 61.8866 31.9304 176.1945 120 A 4.3196 8.5356 124.2452 54.3368 18.4417 178.1467 121 G 4.0927 9.8117 112.4670 45.4035 0.0000 174.0294 122 Q 4.6651 8.1739 117.7528 55.6817 29.5991 177.3112 123 E 3.9836 8.1811 120.8881 59.5079 29.1382 178.9618 124 S 4.2191 8.2716 114.8688 62.0448 62.9753 176.3299 125 D 4.2468 7.8412 121.3191 57.6347 40.5086 178.5037 126 Y 4.0410 7.7264 116.5230 60.6052 37.9343 177.9952 127 I 3.7858 7.7116 120.8359 64.4697 37.1713 177.9510 128 D 4.3763 8.4518 120.1260 57.5864 40.5903 179.1592 129 I 3.8382 7.6269 119.6609 64.4784 37.1999 178.0802 130 D 4.3664 8.2595 119.5137 57.4858 40.6507 178.9029 131 A 4.0428 8.2935 121.2628 55.1962 18.1511 179.5747 132 E 3.9810 8.1609 116.3755 59.4997 29.7986 179.3703 133 I 3.8732 8.0762 119.7932 64.3821 36.7707 178.1600 134 A 4.0378 7.8558 121.0856 55.3285 17.9937 178.9104 135 E 4.0044 8.0877 113.9742 58.0533 29.5907 177.7239 136 H 4.8459 7.6038 117.5573 56.6924 30.9811 174.9678 137 L 4.3568 8.0280 127.9925 56.6359 40.9755 180.5408 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 S 8.43 4.47 0.00 3.96 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 3 S 8.45 4.17 0.00 3.73 3.75 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 4 S 8.92 4.37 0.00 3.62 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 5 G 7.90 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 0.00 0.00 0.00 6 T 7.53 4.06 4.19 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 1.19 0.00 0.00 7 S 8.25 5.18 0.00 3.78 3.65 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 8 I 9.09 4.91 1.99 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.91 0.00 0.00 9 T 8.49 5.33 4.24 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 1.18 0.00 0.00 10 C 8.76 4.74 0.00 2.87 3.01 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 11 E 8.51 4.99 0.00 1.75 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 2.08 2.16 0.00 12 V 8.53 4.33 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 0.94 0.00 0.00 0.81 0.00 0.00 13 G 8.68 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 14 L 9.05 5.22 0.00 1.60 1.49 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.85 4.95 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 16 L 8.95 4.99 0.00 1.93 1.63 0.91 1.22 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 17 I 8.62 4.50 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.71 0.91 0.00 0.00 18 V 7.73 4.33 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 0.83 0.00 0.00 0.93 0.00 0.00 19 P 0.00 3.79 0.00 2.06 1.98 0.00 3.63 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 2.03 2.15 0.00 20 D 7.85 4.95 0.00 2.69 2.52 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 21 R 7.95 4.77 0.00 1.75 1.64 0.00 3.24 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 22 A 8.32 4.31 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 23 P 0.00 4.60 0.00 2.01 2.05 0.00 3.63 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 2.03 2.09 0.00 24 V 8.20 4.46 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 1.09 0.00 0.00 0.95 0.00 0.00 25 P 0.00 5.05 0.00 2.10 2.03 0.00 3.84 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 1.98 1.96 0.00 26 L 8.85 4.65 0.00 1.88 1.72 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.75 4.72 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 0.66 0.00 0.00 0.89 0.00 0.00 28 A 8.64 4.68 0.53 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 0.00 0.00 0.00 0.00 0.00 29 R 8.43 4.52 0.00 1.74 1.63 0.00 2.99 0.00 0.00 3.07 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.00 30 L 8.23 4.91 0.00 0.49 0.80 0.56 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.74 5.41 0.00 2.96 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 32 Y 9.34 5.05 0.00 3.05 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.57 4.83 0.00 3.74 3.41 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 34 V 8.16 3.22 1.09 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 0.44 0.00 0.00 0.86 0.00 0.00 35 D 7.52 4.47 0.00 2.53 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 36 D 7.93 4.81 0.00 2.50 2.33 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 37 P 0.00 4.49 0.00 1.95 2.12 0.00 3.40 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.01 0.00 38 Y 7.99 4.76 0.00 3.00 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 39 A 8.15 5.36 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 40 I 8.65 4.70 1.81 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.15 0.93 0.00 0.00 41 R 8.80 4.68 0.00 1.88 1.86 0.00 3.16 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 42 A 9.30 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.73 4.94 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 44 F 8.53 4.80 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.31 5.00 0.00 3.32 3.33 0.00 5.44 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.55 4.24 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 1.00 0.00 0.00 0.96 0.00 0.00 47 G 8.11 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 48 D 8.81 4.77 0.00 2.67 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 49 D 7.38 4.94 0.00 3.05 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 E 8.51 4.10 0.00 1.99 1.74 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 2.23 1.90 0.00 51 P 0.00 5.03 0.00 1.91 2.06 0.00 3.57 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 1.94 1.90 0.00 52 V 8.36 4.55 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 0.92 0.00 0.00 1.22 0.00 0.00 53 E 9.00 5.23 0.00 2.03 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 2.25 2.31 0.00 54 W 9.66 5.23 0.00 3.56 3.40 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 55 I 8.46 4.92 1.89 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 1.42 0.84 0.96 0.00 0.00 56 F 8.47 5.25 0.00 3.21 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 57 A 8.92 4.66 1.43 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 58 R 9.53 4.11 0.00 1.95 2.18 0.00 2.21 0.00 0.00 2.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 59 E 8.47 4.19 0.00 2.40 2.38 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 2.47 2.56 0.00 60 L 7.93 4.02 0.00 1.91 1.95 0.95 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.03 4.03 0.00 2.01 1.98 0.99 1.07 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 62 T 7.99 3.98 4.53 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 0.00 0.00 1.28 0.00 0.00 63 V 8.20 3.64 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 1.09 0.00 0.00 1.09 0.00 0.00 64 G 8.22 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 0.00 0.00 0.00 65 I 7.48 3.91 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.74 0.93 0.00 0.00 66 I 6.91 4.21 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.81 0.93 0.00 0.00 67 R 7.87 4.65 0.00 1.95 2.01 0.00 2.81 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 68 E 8.74 4.45 0.00 2.10 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 2.40 2.18 0.00 69 T 8.90 4.64 4.30 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 1.30 0.00 0.00 70 G 8.29 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 0.00 0.00 0.00 71 E 8.77 4.57 0.00 2.01 1.80 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 2.23 2.28 0.00 72 G 8.61 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 73 D 8.82 4.53 0.00 2.61 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 74 V 7.45 4.33 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 0.81 0.00 0.00 0.90 0.00 0.00 75 R 8.97 5.15 0.00 1.95 1.96 0.00 3.20 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 76 I 9.00 5.33 1.92 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.69 0.95 0.00 0.00 77 W 8.63 5.64 0.00 3.41 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 78 P 0.00 4.87 0.00 2.14 2.34 0.00 4.04 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 2.07 2.09 0.00 79 S 8.20 4.65 0.00 3.93 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.46 4.92 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.17 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 81 D 8.55 4.95 0.00 2.70 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 82 G 8.70 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 83 K 9.18 4.23 0.00 1.79 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 1.02 7.81 84 E 8.02 4.20 0.00 2.17 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 2.40 2.27 0.00 85 R 8.31 4.64 0.00 1.73 1.83 0.00 3.50 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 *87 V 8.04 4.02 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 0.77 0.00 0.00 0.85 0.00 0.00 88 N 8.50 5.17 0.00 1.44 1.42 0.00 0.00 6.57 7.10 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 89 I 8.33 5.05 2.12 0.00 0.00 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 1.15 1.05 1.18 0.00 0.00 90 A 9.41 5.15 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 91 L 8.58 4.80 0.00 1.36 1.56 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.75 4.67 0.00 3.82 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 93 S 8.28 4.63 0.00 3.86 3.71 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 94 P 0.00 4.12 0.00 1.22 1.77 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 95 F 7.49 4.52 0.00 3.04 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 96 G 7.92 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 97 Q 8.80 4.49 0.00 1.85 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.28 1.78 0.00 98 A 8.58 4.82 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 99 R 7.87 4.81 0.00 1.87 1.77 0.00 3.21 0.00 0.00 3.56 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 100 F 9.31 5.49 0.00 2.88 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 0.00 101 H 9.23 5.22 0.00 3.19 3.13 0.00 5.73 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 0.00 102 A 8.56 5.08 1.14 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 0.00 103 Q 8.49 4.24 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 104 V 8.53 3.68 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 1.01 0.00 0.00 0.93 0.00 0.00 105 A 8.10 3.98 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 0.00 106 P 0.00 4.23 0.00 2.14 2.09 0.00 3.68 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 2.08 2.16 0.00 107 L 7.85 4.07 0.00 1.86 1.79 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.72 4.13 0.00 3.87 4.02 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 0.00 109 E 8.58 3.97 0.00 2.20 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 2.34 2.42 0.00 110 F 8.31 4.15 0.00 3.15 3.21 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 0.00 111 L 8.34 3.57 0.00 1.91 1.75 1.04 0.87 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 0.00 112 H 8.66 4.25 0.00 3.26 3.49 0.00 5.61 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 0.00 113 R 7.92 3.76 0.00 1.76 1.78 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 114 T 7.08 3.25 2.69 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 0.08 0.00 0.00 115 Y 7.33 4.55 0.00 3.03 2.92 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 0.00 116 E 7.68 4.09 0.00 2.02 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 2.24 2.30 0.00 117 L 7.41 4.39 0.00 1.69 1.65 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.97 4.28 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 1.05 0.00 0.00 0.37 0.00 0.00 119 P 0.00 4.57 0.00 2.27 1.99 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 120 A 8.54 4.32 1.19 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 0.00 0.00 121 G 9.81 4.09 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 0.00 0.00 0.00 122 Q 8.17 4.67 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 123 E 8.18 3.98 0.00 1.56 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 1.63 2.23 0.00 124 S 8.27 4.22 0.00 3.89 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 0.00 125 D 7.84 4.25 0.00 2.08 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 0.00 0.00 0.00 0.00 126 Y 7.73 4.04 0.00 3.11 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 0.00 127 I 7.71 3.79 2.08 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.10 0.99 0.00 0.00 128 D 8.45 4.38 0.00 2.80 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 0.00 129 I 7.63 3.84 2.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.60 0.92 0.00 0.00 130 D 8.26 4.37 0.00 2.91 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 0.00 131 A 8.29 4.04 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 0.00 132 E 8.16 3.98 0.00 2.16 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 2.37 2.50 0.00 133 I 8.08 3.87 1.89 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 1.46 0.80 0.92 0.00 0.00 134 A 7.86 4.04 1.39 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 0.00 0.00 0.00 135 E 8.09 4.00 0.00 2.09 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 2.32 2.45 0.00 136 H 7.60 4.85 0.00 3.00 3.32 0.00 5.85 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.03 4.36 0.00 1.75 1.43 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.