NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.0193 8.1849 122.4331 54.4977 43.8361 177.4450 3 W 4.6996 7.3357 117.4533 56.3539 29.4789 174.5816 4 K 4.5521 9.9423 122.4635 56.1108 33.7834 176.1761 5 K 4.7349 8.0372 118.2676 54.4311 34.5964 175.8761 6 T 4.1138 8.2854 112.7810 61.3272 69.8756 173.7330 7 F 4.6493 7.0783 116.1251 55.4262 40.1597 173.4414 8 T 4.7918 7.8751 111.2433 59.2754 72.9344 174.8065 9 L 4.0598 8.6003 121.7174 57.9839 41.6780 179.4197 10 E 3.9202 8.1706 118.6759 59.4778 29.6815 178.4385 11 N 4.3494 8.2585 116.4265 56.3351 38.3400 177.4786 12 L 3.9206 7.7161 119.4849 57.7717 42.0941 178.9248 13 N 4.4456 8.3392 116.6153 56.2343 38.4581 177.2399 14 Q 3.9248 8.0793 120.9695 59.1996 28.9814 178.0518 15 L 3.9749 7.7008 119.9454 57.9730 42.1198 177.8144 16 C 4.4216 7.5109 113.7322 59.0171 28.6750 174.0380 17 S 4.2707 7.2067 115.8300 58.5546 63.4388 172.7971 18 N 4.1435 8.6930 116.6764 54.4284 37.1842 172.9884 19 S 4.5807 7.7423 109.6054 55.6915 66.7679 173.9595 20 A 3.9672 8.6418 120.5278 55.4294 17.9026 179.7532 21 V 3.4933 7.4030 115.5935 66.3956 31.5676 178.5457 22 S 4.1425 7.9733 113.3943 61.6461 62.7954 175.4419 23 H 4.1407 8.3965 121.3294 58.6247 29.5688 176.1404 24 L 4.4322 7.6147 118.0607 53.7646 41.7164 177.1474 25 G 3.9128 8.0604 107.0902 46.0838 0.0000 174.1741 26 I 4.1763 7.4728 120.1644 60.8606 37.8352 175.1344 27 E 4.8131 8.8483 124.8439 54.2197 32.8820 174.6033 28 I 4.4015 9.2606 129.0885 61.6179 36.9355 175.7953 29 S 4.7851 8.6852 121.5831 59.1059 65.4297 173.8568 30 A 4.6299 7.9428 119.3892 51.5422 22.1698 174.9080 31 F 4.3038 7.8737 112.9259 55.8306 40.8072 174.3114 32 G 3.8293 6.5458 108.8168 44.0609 0.0000 173.0500 33 E 4.1233 9.0325 117.9630 59.2689 29.5606 177.6254 34 D 4.5280 7.5009 114.0262 51.8198 40.2436 174.5964 35 W 5.9122 7.8304 114.3795 57.5616 31.5562 172.6581 36 I 5.2147 8.8804 119.7164 60.0020 41.3083 173.1575 37 E 5.9800 10.1419 126.1586 53.7958 33.6806 174.6882 38 A 5.2516 8.4912 121.7955 50.8253 23.4628 175.3723 39 T 5.3897 8.9346 110.4347 58.3160 72.3281 170.9652 *41 P 4.3530 0.0000 0.0000 63.2212 32.5898 176.9411 42 V 4.2131 8.5986 123.0349 61.9665 31.3635 174.2079 43 D 4.5592 8.4657 129.0080 52.8311 42.1498 175.6377 44 H 4.2689 9.0450 113.8804 58.8149 28.9299 176.6605 45 R 4.1225 8.3093 118.0934 57.9971 30.7977 176.7375 46 T 4.4552 7.7208 107.8938 59.7201 68.6008 172.3212 *48 Q 4.3244 7.4609 122.1642 55.6034 30.3069 175.0598 49 P 4.1996 0.0000 0.0000 65.3979 31.2792 177.0778 50 F 4.7471 7.0025 111.3495 56.9690 38.1845 176.4551 51 G 3.9613 8.2380 107.8454 46.1237 0.0000 174.1259 52 V 4.6842 7.1722 111.1514 58.5511 34.7872 175.2866 53 L 3.9353 8.7952 125.2350 56.1529 42.7672 176.2322 54 H 4.1679 9.2744 126.7767 55.7532 30.5014 176.0203 55 G 3.6245 8.9948 113.4770 48.0194 0.0000 175.3577 56 G 3.7012 8.1822 107.3722 47.6270 0.0000 175.8405 57 V 3.6214 7.8250 120.2063 65.8421 31.5922 178.0685 58 S 4.1645 8.1153 114.9902 61.6452 62.5458 176.8834 59 V 3.6946 7.8112 120.4017 65.6264 31.2575 177.9741 60 A 3.9826 8.0252 120.8747 54.8312 18.1579 179.3776 61 L 3.8553 8.0900 118.6313 58.1792 42.1721 178.9414 62 A 3.9896 7.9553 120.7154 55.3864 18.3708 179.2975 63 E 3.8643 8.5467 118.0245 59.4793 29.6210 179.0206 64 T 3.7374 7.8693 115.9628 66.8129 68.5379 176.4496 65 I 3.7567 8.0056 120.5237 63.7669 38.0043 178.2303 66 G 3.2954 8.1988 106.9824 47.7172 0.0000 176.0031 67 S 3.9606 7.8308 117.6536 60.9314 62.9552 176.5161 68 L 3.6986 7.6329 122.7747 57.9666 41.6217 178.6332 69 A 3.8290 7.4279 119.5568 55.0658 18.4292 179.4142 70 G 3.8878 7.2089 104.1190 48.1565 0.0000 176.0937 71 S 4.2345 7.9897 116.9089 60.7490 62.9214 175.8589 72 L 4.2528 7.8641 120.8568 56.0825 41.3140 177.6008 73 C 4.8059 7.9788 115.6819 58.9272 28.8287 173.0558 74 L 4.8064 6.8705 120.4677 52.6455 43.7653 176.0381 75 E 4.3647 8.3394 120.3184 55.4437 30.4629 176.3021 76 E 3.9413 8.3892 119.6182 58.1685 30.0435 178.0707 77 G 4.0010 9.2222 109.8458 45.2409 0.0000 172.7022 78 K 5.1755 7.4721 117.5254 55.2708 36.1824 175.6669 79 T 4.5910 8.5069 115.8404 61.6752 70.9550 172.2285 80 V 5.1141 8.3448 113.1855 59.6422 35.5311 175.5283 81 V 4.3620 8.7571 122.8248 60.6157 34.4241 175.0480 82 G 3.8434 8.9221 115.3554 47.3157 0.0000 172.3531 83 L 4.7642 8.9804 126.0091 56.2438 43.2406 176.3757 84 D 4.7308 7.7620 115.5576 52.8681 42.5945 173.6463 85 I 5.1552 8.0394 118.2473 59.9467 41.1895 173.1302 86 N 5.2804 9.1706 123.8567 51.6780 41.1491 172.8165 87 A 5.1276 8.3454 119.3477 51.0560 22.5619 175.1790 88 N 4.9099 9.1063 118.0445 51.7474 41.5731 173.4956 89 H 5.2306 8.6384 120.3589 54.9256 29.6282 174.7904 90 L 4.7384 8.7935 123.2300 55.8570 43.5839 177.0389 91 R 4.6183 7.6186 111.8573 54.1407 31.8447 172.7672 92 P 4.5099 0.0000 0.0000 62.5767 32.4678 175.8113 93 V 4.3866 8.1475 118.3997 61.4521 33.8836 175.9535 94 R 4.5625 8.2582 124.5854 55.8997 31.4461 175.1566 95 S 4.3964 7.9242 110.7422 58.7733 65.3726 176.2547 96 G 3.8002 8.2373 107.1884 44.6995 0.0000 172.2630 97 K 4.8530 8.1706 118.0743 54.7052 34.6963 175.9127 98 V 4.6690 8.0145 114.2374 60.1146 34.8655 174.7428 99 T 4.9886 8.9994 119.5810 61.7616 72.0420 172.7148 100 A 5.1187 9.1066 128.5992 50.2541 21.5537 175.0808 101 R 5.1878 9.0799 124.0298 54.7899 32.4216 174.6358 102 A 5.4586 9.2017 129.3572 51.1761 20.8313 175.9173 103 T 5.3148 9.3182 112.4344 59.1126 72.4388 171.7734 104 P 3.3532 0.0000 0.0000 62.8751 31.7031 175.6187 105 I 4.1756 7.8498 122.4988 62.8048 39.1071 176.0903 106 N 4.6175 7.4596 119.3115 52.4238 42.4047 173.1396 107 L 4.6800 8.6146 126.6352 53.2752 43.1422 176.1178 108 G 4.0180 8.4223 114.1231 43.4691 0.0000 172.0509 109 R 4.0589 8.5916 118.4966 58.7433 30.3288 176.8289 110 N 5.0818 8.1501 112.7674 52.8814 42.1926 174.5748 111 I 5.1455 7.7370 118.5540 59.4250 41.5200 174.3475 112 Q 5.1670 9.1918 124.8430 54.0773 32.1167 174.5576 113 V 4.9467 8.7357 123.4000 60.9396 34.2472 174.2676 114 W 5.0115 9.3586 127.2935 54.9079 32.8770 174.0031 115 Q 5.0486 9.2034 125.1572 54.8363 30.9203 174.3010 116 I 5.1246 8.9895 126.4394 59.8089 40.9335 173.8239 117 D 5.4356 8.9423 127.2184 52.5662 43.4813 175.4104 118 I 5.0671 8.8998 124.0724 59.6302 40.2400 174.9170 119 R 5.2715 8.9103 125.1007 54.5686 34.6409 175.8499 120 T 4.4462 8.7004 112.8736 60.4993 70.5628 175.3700 121 E 3.9968 8.7339 120.3701 59.3496 29.3778 177.5810 122 E 4.3942 8.0702 114.9064 56.2763 30.0406 175.3166 123 N 4.1597 7.8223 114.8965 55.3058 38.1602 173.5480 124 K 4.3701 7.5515 115.0973 54.1483 33.3822 176.1053 125 L 4.4722 8.5007 125.8887 55.3777 42.3374 175.8530 126 C 4.7508 9.0040 121.1842 58.7643 32.1619 173.1488 127 C 5.2027 7.6793 118.4536 58.5088 34.6851 172.7820 128 V 5.0324 8.6895 118.5857 59.8203 35.3178 174.5703 129 S 5.0824 8.9525 117.4550 56.8619 66.5409 172.4959 130 R 5.1855 9.0623 125.4044 54.4358 33.2763 173.6860 131 L 5.3116 9.2084 127.5586 53.5844 45.6022 174.8600 132 T 5.1487 9.2285 122.4969 61.8200 71.2714 173.1933 133 L 5.2930 9.3207 125.8942 52.9644 45.8070 175.2811 134 S 4.9820 9.1972 117.7170 57.0987 64.1846 173.0129 135 V 4.6222 8.8146 128.4514 62.2351 32.2008 175.0103 136 I 4.6364 8.9484 122.0551 59.1332 40.7274 174.3876 137 N 4.9155 8.7084 124.2724 52.1356 38.0218 175.2116 138 L 4.0559 8.7160 128.3491 57.5197 41.9577 179.5566 139 L 4.0588 7.3513 116.2588 55.7222 41.8129 176.7895 140 E 4.5633 8.1311 116.9481 55.6018 31.2318 175.1508 141 H 4.6332 7.5441 120.3777 56.4923 28.9237 174.4856 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 L 8.18 4.02 0.00 1.13 0.44 0.66 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 3 W 7.34 4.70 0.00 3.47 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 4 K 9.94 4.55 0.00 1.88 1.90 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.49 7.81 5 K 8.04 4.73 0.00 1.84 1.78 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.66 7.81 6 T 8.29 4.11 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 1.20 0.00 0.00 7 F 7.08 4.65 0.00 2.87 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 8 T 7.88 4.79 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 1.19 0.00 0.00 9 L 8.60 4.06 0.00 1.79 1.83 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.17 3.92 0.00 2.05 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 2.38 2.41 0.00 11 N 8.26 4.35 0.00 3.00 2.85 0.00 0.00 7.10 6.06 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 12 L 7.72 3.92 0.00 1.70 1.58 0.30 0.86 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 13 N 8.34 4.45 0.00 2.72 2.86 0.00 0.00 6.68 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.08 3.92 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 15 L 7.70 3.97 0.00 1.63 1.88 0.88 0.96 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 16 C 7.51 4.42 0.00 3.11 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 17 S 7.21 4.27 0.00 3.99 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 18 N 8.69 4.14 0.00 2.81 2.87 0.00 0.00 6.77 7.63 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 19 S 7.74 4.58 0.00 3.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.64 3.97 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 21 V 7.40 3.49 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 1.01 0.00 0.00 0.90 0.00 0.00 22 S 7.97 4.14 0.00 4.09 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 0.00 23 H 8.40 4.14 0.00 3.20 3.56 0.00 5.94 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 24 L 7.61 4.43 0.00 1.85 1.65 0.91 0.89 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 25 G 8.06 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.47 4.18 2.00 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 1.18 0.56 0.90 0.00 0.00 27 E 8.85 4.81 0.00 2.00 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 2.20 2.41 0.00 28 I 9.26 4.40 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.83 0.87 0.00 0.00 29 S 8.69 4.79 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 30 A 7.94 4.63 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 31 F 7.87 4.30 0.00 2.90 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 32 G 6.55 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 E 9.03 4.12 0.00 2.03 2.02 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 2.37 2.37 0.00 34 D 7.50 4.53 0.00 2.72 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 35 W 7.83 5.91 0.00 3.65 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 36 I 8.88 5.21 1.85 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.75 0.97 0.00 0.00 37 E 10.14 5.98 0.00 2.14 1.93 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 2.44 2.72 0.00 38 A 8.49 5.25 1.22 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 0.00 0.00 39 T 8.93 5.39 4.26 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 1.24 0.00 0.00 *41 P 0.00 4.35 0.00 2.26 2.13 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 42 V 8.60 4.21 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 0.79 0.00 0.00 0.98 0.00 0.00 43 D 8.47 4.56 0.00 2.79 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 44 H 9.04 4.27 0.00 3.14 3.40 0.00 5.89 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.31 4.12 0.00 1.85 1.91 0.00 3.04 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 46 T 7.72 4.46 4.22 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 1.21 0.00 0.00 *48 Q 7.46 4.32 0.00 1.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.35 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.01 0.00 49 P 0.00 4.20 0.00 1.93 2.13 0.00 3.32 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 50 F 7.00 4.75 0.00 3.04 3.16 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 51 G 8.24 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 0.00 0.00 0.00 52 V 7.17 4.68 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 0.83 0.00 0.00 1.05 0.00 0.00 53 L 8.80 3.94 0.00 1.57 1.59 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.27 4.17 0.00 3.32 3.15 0.00 5.66 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 55 G 8.99 3.62 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 0.00 0.00 0.00 56 G 8.18 3.70 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 0.00 0.00 0.00 57 V 7.82 3.62 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 1.04 0.00 0.00 0.80 0.00 0.00 58 S 8.12 4.16 0.00 4.12 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 59 V 7.81 3.69 2.28 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 1.12 0.00 0.00 1.03 0.00 0.00 60 A 8.03 3.98 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 61 L 8.09 3.86 0.00 1.78 1.88 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.96 3.99 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 63 E 8.55 3.86 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 2.28 2.32 0.00 64 T 7.87 3.74 4.41 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 1.16 0.00 0.00 65 I 8.01 3.76 1.85 0.00 0.00 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 1.59 1.41 1.01 0.00 0.00 66 G 8.20 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 0.00 0.00 0.00 67 S 7.83 3.96 0.00 3.80 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 68 L 7.63 3.70 0.00 1.67 1.57 0.68 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.43 3.83 0.39 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 70 G 7.21 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.99 4.23 0.00 4.03 4.07 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 72 L 7.86 4.25 0.00 1.77 1.59 -0.27 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 73 C 7.98 4.81 0.00 3.44 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 74 L 6.87 4.81 0.00 1.77 1.61 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.34 4.36 0.00 2.05 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 2.42 2.36 0.00 76 E 8.39 3.94 0.00 1.96 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 2.33 2.27 0.00 77 G 9.22 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 5.18 0.00 1.77 1.70 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.69 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.36 7.81 79 T 8.51 4.59 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 1.22 0.00 0.00 80 V 8.34 5.11 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 0.82 0.00 0.00 0.90 0.00 0.00 81 V 8.76 4.36 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 0.96 0.00 0.00 0.93 0.00 0.00 82 G 8.92 3.84 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 0.00 0.00 0.00 83 L 8.98 4.76 0.00 1.73 1.73 0.99 0.88 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 84 D 7.76 4.73 0.00 2.77 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 85 I 8.04 5.16 1.89 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 1.42 0.91 0.97 0.00 0.00 86 N 9.17 5.28 0.00 2.83 2.84 0.00 0.00 6.70 6.86 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 87 A 8.35 5.13 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 88 N 9.11 4.91 0.00 2.67 2.69 0.00 0.00 7.05 8.41 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 89 H 8.64 5.23 0.00 3.04 3.24 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.79 4.74 0.00 1.62 1.70 0.93 0.76 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 91 R 7.62 4.62 0.00 1.88 1.86 0.00 3.04 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 92 P 0.00 4.51 0.00 2.21 2.13 0.00 3.46 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 2.09 0.00 93 V 8.15 4.39 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 1.04 0.00 0.00 0.94 0.00 0.00 94 R 8.26 4.56 0.00 1.82 1.93 0.00 3.31 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 95 S 7.92 4.40 0.00 3.90 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.24 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.17 4.85 0.00 1.76 1.71 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.37 7.81 98 V 8.01 4.67 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 1.03 0.00 0.00 0.94 0.00 0.00 99 T 9.00 4.99 4.25 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 1.31 0.00 0.00 100 A 9.11 5.12 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 0.00 101 R 9.08 5.19 0.00 2.06 1.83 0.00 2.97 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 102 A 9.20 5.46 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 0.00 103 T 9.32 5.31 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 1.42 0.00 0.00 104 P 0.00 3.35 0.00 1.50 0.77 0.00 3.77 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 1.71 1.64 0.00 105 I 7.85 4.18 1.91 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 1.07 0.57 0.86 0.00 0.00 106 N 7.46 4.62 0.00 2.65 2.53 0.00 0.00 6.99 6.66 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 0.00 107 L 8.61 4.68 0.00 1.46 1.57 0.81 0.58 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 0.00 108 G 8.42 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 0.00 0.00 0.00 109 R 8.59 4.06 0.00 1.79 1.98 0.00 3.19 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 110 N 8.15 5.08 0.00 2.66 2.80 0.00 0.00 6.89 7.82 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 0.00 111 I 7.74 5.15 1.89 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 1.36 1.34 0.94 0.00 0.00 112 Q 9.19 5.17 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 113 V 8.74 4.95 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 1.07 0.00 0.00 0.94 0.00 0.00 114 W 9.36 5.01 0.00 3.30 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 0.00 115 Q 9.20 5.05 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 116 I 8.99 5.12 1.94 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 1.41 0.73 0.97 0.00 0.00 117 D 8.94 5.44 0.00 2.63 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 0.00 118 I 8.90 5.07 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.83 0.97 0.00 0.00 119 R 8.91 5.27 0.00 1.70 1.75 0.00 3.08 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 120 T 8.70 4.45 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 1.27 0.00 0.00 121 E 8.73 4.00 0.00 1.98 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 2.32 2.53 0.00 122 E 8.07 4.39 0.00 2.07 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 2.23 2.28 0.00 123 N 7.82 4.16 0.00 2.84 2.88 0.00 0.00 7.01 6.46 0.00 0.00 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 K 7.55 4.37 0.00 1.82 1.70 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.36 7.81 125 L 8.50 4.47 0.00 1.58 1.60 0.97 0.92 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 0.00 126 C 9.00 4.75 0.00 3.18 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 0.00 127 C 7.68 5.20 0.00 3.06 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 0.00 128 V 8.69 5.03 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 0.69 0.00 0.00 0.94 0.00 0.00 129 S 8.95 5.08 0.00 3.89 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 0.00 130 R 9.06 5.19 0.00 1.93 1.83 0.00 3.10 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 1.55 1.69 0.00 131 L 9.21 5.31 0.00 1.81 1.57 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 132 T 9.23 5.15 4.57 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 1.25 0.00 0.00 133 L 9.32 5.29 0.00 1.63 1.58 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 134 S 9.20 4.98 0.00 3.87 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 0.00 135 V 8.81 4.62 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 0.86 0.00 0.00 1.03 0.00 0.00 136 I 8.95 4.64 2.05 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 1.27 0.78 0.91 0.00 0.00 137 N 8.71 4.92 0.00 2.76 2.59 0.00 0.00 7.18 6.66 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 0.00 138 L 8.72 4.06 0.00 1.86 1.73 0.89 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.35 4.06 0.00 1.87 1.70 0.93 0.77 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 0.00 140 E 8.13 4.56 0.00 1.85 1.79 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 2.22 2.23 0.00 141 H 7.54 4.63 0.00 3.35 3.15 0.00 5.76 0.00 0.00 0.00 0.00 6.91 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.