NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2848 8.1849 122.4939 54.9812 43.2646 175.0862 4 L 4.5032 8.1454 117.1833 50.6620 43.2473 174.2446 5 P 4.4777 0.0000 0.0000 62.2926 33.0997 175.8157 6 D 4.6673 8.3367 120.0506 52.5418 41.7586 177.2869 7 K 3.8566 8.3323 118.8370 59.9297 32.3051 178.6879 8 E 4.1781 8.3237 119.9720 59.3380 29.6591 178.9139 9 K 4.1102 8.7784 118.7671 59.0190 31.9754 179.1233 10 L 4.1323 8.2427 120.9869 58.2736 42.0731 178.8982 11 L 4.0874 8.1485 120.2427 58.1617 42.1770 178.8991 12 R 3.9454 8.1250 118.7150 59.5779 29.8361 178.3219 13 N 4.2989 8.4624 115.7286 55.9310 38.8837 176.9569 14 F 4.2078 8.6720 122.4415 61.4828 39.4156 177.3171 15 L 4.1052 8.0535 116.8013 57.0827 41.4424 179.2330 16 R 4.0102 7.5131 115.1414 57.7274 29.9053 177.0544 17 C 3.9930 6.9545 116.9166 59.8761 28.4344 173.9685 18 A 4.0936 8.6398 126.9311 54.1338 18.4857 177.1247 19 N 4.7491 7.2538 112.2194 50.7736 41.0959 175.2968 20 W 3.7205 8.6278 120.0675 59.0364 29.0002 178.4591 21 E 4.1129 8.3395 119.6633 59.0497 29.1138 178.1006 22 E 3.8982 8.6554 119.5499 59.1321 29.7355 178.8246 23 K 3.4636 7.5310 118.4393 59.4322 31.8962 178.5853 24 Y 4.2406 8.3064 119.9674 60.9812 38.8168 178.2851 25 L 4.0855 8.4951 120.1216 57.6533 41.5867 178.9193 26 Y 4.3027 8.2208 120.0381 60.6738 38.7240 177.9617 27 I 3.4716 7.8886 120.7158 64.4727 37.2634 178.4783 28 I 3.5773 7.5389 120.5758 64.1236 36.6328 178.0211 29 E 3.9054 8.2682 119.6050 59.3998 29.8061 178.4863 30 L 4.1062 7.9027 119.1321 57.7397 41.6475 179.7560 31 G 3.5682 7.8569 105.5526 47.9672 0.0000 175.6098 32 Q 4.1712 7.8427 118.5857 57.7834 28.7871 178.1388 33 R 4.1718 7.6664 118.0175 56.5210 30.7438 176.9156 34 L 4.1359 7.1864 119.2832 53.9716 42.1910 175.4996 35 P 4.4440 0.0000 0.0000 62.2064 31.9831 176.2536 36 E 4.0328 8.5269 120.5764 56.5122 29.9816 176.4971 37 L 4.3412 8.1939 124.6498 53.7048 43.2694 176.6316 38 R 3.9774 8.4512 124.8367 56.3980 30.3258 177.2594 39 D 4.2346 8.8546 122.3579 57.6726 40.4808 178.9005 40 E 3.9274 8.0067 118.4918 59.0508 29.8134 177.8097 41 D 4.5657 8.1036 117.5984 55.1066 42.5083 177.1877 42 R 3.6122 6.9439 121.5901 54.6249 28.4942 174.7229 43 S 4.9169 7.3273 114.9819 55.3353 67.1364 173.8369 44 P 4.5014 0.0000 0.0000 65.1270 31.1987 178.6112 45 Q 3.9543 8.2700 117.6336 58.8138 29.1220 176.3391 46 N 4.9883 8.5179 113.4619 53.0273 39.9235 175.3989 47 S 4.4978 8.3937 117.0323 58.5555 64.1694 173.1529 48 I 4.5887 8.2182 124.4505 59.6648 39.1272 175.3541 49 Q 4.4355 8.8442 124.8636 55.2789 30.8384 175.7646 50 G 3.9115 8.8882 107.7996 46.0065 0.0000 174.0967 51 C 4.6137 7.9035 114.9586 58.4768 28.4955 173.7168 52 Q 3.2349 8.0679 118.0959 56.3385 27.0676 172.8694 53 S 4.4641 6.9260 106.4485 57.1198 66.2110 175.0946 54 Q 3.8903 8.4309 120.2143 55.4164 29.4949 175.8402 55 V 4.6538 7.4776 122.7661 60.7456 35.4599 173.8533 56 W 5.4171 9.4725 126.9127 55.0504 32.6622 174.4547 57 I 5.3939 9.0238 124.9183 59.7829 40.6288 174.8136 58 V 4.5080 8.9630 125.7004 59.8279 35.4614 174.3781 *60 R 4.3261 8.2662 117.5722 56.3077 31.6875 175.1156 61 Q 4.7997 8.4320 120.3645 54.6463 30.7222 176.7221 62 N 4.6557 8.2137 119.9024 52.2762 39.2427 175.3153 63 A 4.0708 8.6319 119.5733 54.6641 18.6383 176.7186 64 Q 4.7147 7.4833 114.9466 54.3367 31.8411 174.7863 65 G 4.0499 9.4911 106.8386 45.7928 0.0000 172.5957 66 I 4.3777 7.5806 120.4214 58.6489 39.9725 174.8574 67 I 4.1584 8.3562 130.2628 61.4028 37.8414 174.8533 68 E 4.5012 9.1606 127.9609 54.4338 31.3045 174.8095 69 L 4.7021 8.2231 126.7913 53.0362 43.7960 176.0403 70 Q 4.8151 8.7464 121.4309 54.5723 33.1804 174.3933 71 G 4.5900 8.8756 107.6135 46.5806 0.0000 171.2295 72 D 4.9073 9.1322 118.3046 53.7924 45.1917 173.7818 73 S 5.6268 8.7324 115.3707 57.2685 65.2933 173.3330 74 D 4.8688 9.0215 123.7053 53.6377 40.3720 175.5916 75 A 4.5883 8.1382 123.8002 50.3141 20.7219 176.8787 76 A 3.9685 8.9388 125.5058 56.0152 18.3543 179.2645 77 I 3.4855 7.6555 116.2525 64.0111 38.0167 178.1139 78 V 3.5527 7.6752 118.8672 65.7793 31.4758 177.7788 79 K 3.9561 8.4647 119.9430 59.3071 31.9680 179.0816 80 G 3.4833 7.9519 106.2363 47.6632 0.0000 175.7765 81 L 4.0035 7.8956 121.4255 57.3985 41.5660 179.5750 82 I 3.4257 7.7456 119.7624 64.2846 36.9567 178.2897 83 A 3.7496 7.7574 121.4362 54.9129 18.1309 179.7780 84 V 3.4345 7.6941 116.7743 66.2672 31.6457 178.5213 85 V 3.6687 7.9267 117.8842 65.9361 31.1166 178.0153 86 F 4.5584 8.1196 116.9972 60.5790 39.0342 177.3475 87 I 3.8560 8.0498 119.5019 64.5737 36.7585 178.4910 88 L 3.6579 7.4982 118.1166 57.2755 41.3470 178.2540 89 Y 4.7608 7.4516 113.9665 56.7475 38.4647 175.2193 90 D 4.2508 7.3868 120.7211 55.3785 41.7156 174.9602 91 Q 3.1844 8.3847 126.9039 56.3574 25.5634 173.3520 *93 T 4.3258 7.4886 113.4288 60.4245 71.5241 172.8916 94 P 4.1614 0.0000 0.0000 65.9388 31.3949 178.7621 95 Q 4.0024 8.0515 117.6525 59.2816 28.8089 177.9068 96 D 4.7916 7.9637 121.1003 56.8408 40.5812 178.7877 97 I 3.8459 7.3583 119.2937 64.3141 37.1282 178.2857 98 V 3.7754 7.6066 118.3072 65.4287 31.5849 176.8792 99 N 4.9350 8.1085 114.3558 51.7524 37.4714 174.1740 100 F 4.7403 7.7113 125.0934 58.0578 39.4839 174.3642 101 D 4.4900 8.5516 128.8878 53.3472 40.6483 176.1721 102 V 3.3657 7.8814 120.7345 62.6860 32.5408 178.5196 103 R 4.0763 8.1476 120.6149 59.3023 29.7794 176.4315 104 P 4.4803 0.0000 0.0000 65.0584 30.8809 178.3888 105 W 3.7681 7.9974 118.1439 59.6227 29.4038 178.2534 106 F 4.4825 7.8878 117.2178 60.3449 38.0225 177.5224 107 E 4.2173 8.5580 118.6580 59.0915 29.0928 180.6896 108 K 3.9603 7.6584 117.3579 56.1806 32.5129 176.5598 *110 A 4.8049 7.8858 117.2741 51.4680 20.3962 180.1218 111 L 4.4327 8.0739 120.5835 59.9067 41.8686 180.4640 112 T 4.2610 7.8785 105.7875 63.7431 68.7996 174.9442 113 Q 4.1336 7.9330 120.7473 57.1627 29.1560 176.7567 114 H 4.2227 7.6651 112.5578 55.2835 30.7101 174.2051 115 L 4.5106 7.4856 118.9261 53.2331 43.1963 176.9609 116 T 4.1222 8.0241 110.5686 61.0526 70.7755 173.6539 117 P 4.2038 0.0000 0.0000 65.8396 31.3933 178.9019 118 S 4.0463 7.9994 111.4761 61.2807 62.3072 176.0753 119 R 3.8779 7.8854 121.3371 59.6689 30.0294 178.6721 120 S 4.0847 8.1803 114.9119 61.7117 62.6587 176.8228 121 Q 4.0905 8.3937 121.1034 58.7371 28.1991 178.8896 122 G 3.5641 7.8264 106.0140 47.3048 0.0000 175.1662 123 L 4.0313 7.7078 121.8422 57.9325 42.2620 178.6685 124 E 4.0803 8.1665 118.3703 59.0016 29.2989 179.5103 125 A 4.1573 8.0509 117.6825 52.9446 18.1370 179.1577 *127 I 4.1815 7.6566 122.3526 62.9464 39.3166 178.0897 128 R 3.8792 8.3287 119.8494 59.5195 29.7779 178.3679 129 A 3.9866 8.5009 120.8548 55.1526 18.3580 179.7405 130 I 3.6321 7.7163 117.8145 64.6345 37.3298 178.6903 131 R 3.7851 8.3008 119.0076 59.0148 29.8275 178.8697 132 A 3.9686 8.2498 120.8002 55.2838 18.1799 179.8797 133 K 3.8938 7.7760 115.3048 59.5441 32.2616 179.2179 134 A 4.0550 8.1589 120.9230 54.9786 18.2731 179.5965 135 A 3.9272 8.4963 119.6043 55.1285 18.2698 179.5723 136 A 4.2371 8.0790 117.9301 54.2262 18.5035 178.7201 137 L 4.4661 7.4219 115.8847 54.9543 42.4867 177.1178 138 S 4.6479 7.6754 110.3450 57.0637 64.5975 174.3385 139 L 4.0768 8.1978 121.7383 55.8584 40.5318 176.4042 140 E 4.2489 8.4239 119.7016 56.3428 30.2438 177.3979 141 H 4.6339 8.4230 122.0287 53.6434 27.8387 173.4086 142 H 4.0761 8.1270 119.2511 56.3144 29.5329 176.2788 143 H 3.7032 8.8225 123.0377 58.9590 29.9511 176.5088 144 H 4.3628 7.9404 113.0996 57.3947 28.6797 175.3701 145 H 4.7804 7.5115 116.1714 56.2070 29.3691 174.7700 146 H 4.4731 7.7183 121.6765 56.1116 28.4156 175.0845 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 3 L 8.18 4.28 0.00 1.63 1.71 0.93 0.67 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 4 L 8.15 4.50 0.00 1.77 1.57 0.99 0.70 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 5 P 0.00 4.48 0.00 2.25 2.13 0.00 3.77 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 2.03 2.08 0.00 6 D 8.34 4.67 0.00 2.95 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 7 K 8.33 3.86 0.00 1.27 1.69 0.00 0.87 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 1.35 7.81 8 E 8.32 4.18 0.00 2.22 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 2.45 2.49 0.00 9 K 8.78 4.11 0.00 1.89 1.90 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.76 7.81 10 L 8.24 4.13 0.00 1.97 1.94 0.86 0.47 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 11 L 8.15 4.09 0.00 2.20 1.78 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.13 3.95 0.00 1.98 2.08 0.00 3.16 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 1.63 1.68 0.00 13 N 8.46 4.30 0.00 2.74 2.49 0.00 0.00 7.02 7.01 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 14 F 8.67 4.21 0.00 3.41 3.28 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 15 L 8.05 4.11 0.00 1.84 1.74 1.32 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.51 4.01 0.00 1.93 2.20 0.00 2.97 0.00 0.00 3.03 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 17 C 6.95 3.99 0.00 2.67 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 18 A 8.64 4.09 1.23 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 0.00 0.00 19 N 7.25 4.75 0.00 2.99 2.89 0.00 0.00 6.29 8.88 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 20 W 8.63 3.72 0.00 3.44 3.38 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 0.00 0.00 0.00 21 E 8.34 4.11 0.00 2.09 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 0.00 2.45 2.46 0.00 22 E 8.66 3.90 0.00 2.11 1.89 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 2.19 2.29 0.00 23 K 7.53 3.46 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.25 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.72 7.81 24 Y 8.31 4.24 0.00 3.40 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 25 L 8.50 4.09 0.00 1.78 1.76 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.22 4.30 0.00 3.03 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 27 I 7.89 3.47 1.96 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 1.53 0.72 0.85 0.00 0.00 28 I 7.54 3.58 1.89 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 0.86 0.00 0.00 29 E 8.27 3.91 0.00 2.06 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 0.00 2.35 2.39 0.00 30 L 7.90 4.11 0.00 1.63 1.53 0.24 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.86 3.57 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 0.00 0.00 0.00 32 Q 7.84 4.17 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 33 R 7.67 4.17 0.00 1.96 1.98 0.00 3.19 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 34 L 7.19 4.14 0.00 1.83 1.64 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.44 0.00 2.07 2.00 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 36 E 8.53 4.03 0.00 1.95 1.87 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 2.31 2.23 0.00 37 L 8.19 4.34 0.00 1.57 1.45 0.87 0.95 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 38 R 8.45 3.98 0.00 2.10 1.81 0.00 3.23 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 39 D 8.85 4.23 0.00 2.69 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 40 E 8.01 3.93 0.00 1.93 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 2.27 2.38 0.00 41 D 8.10 4.57 0.00 2.74 2.71 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 42 R 6.94 3.61 0.00 1.29 1.55 0.00 2.21 0.00 0.00 2.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 43 S 7.33 4.92 0.00 4.03 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 44 P 0.00 4.50 0.00 2.25 2.22 0.00 3.96 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 2.18 2.16 0.00 45 Q 8.27 3.95 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 46 N 8.52 4.99 0.00 3.11 3.11 0.00 0.00 6.93 8.04 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 47 S 8.39 4.50 0.00 3.85 3.59 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 48 I 8.22 4.59 1.78 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 1.33 0.87 0.88 0.00 0.00 49 Q 8.84 4.44 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 50 G 8.89 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 51 C 7.90 4.61 0.00 2.88 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 52 Q 8.07 3.23 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 53 S 6.93 4.46 0.00 4.19 3.76 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 54 Q 8.43 3.89 0.00 1.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 55 V 7.48 4.65 1.89 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 1.06 0.00 0.00 0.82 0.00 0.00 56 W 9.47 5.42 0.00 3.35 2.95 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 57 I 9.02 5.39 1.99 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.71 1.11 0.00 0.00 58 V 8.96 4.51 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 0.84 0.00 0.00 0.94 0.00 0.00 *60 R 8.27 4.33 0.00 1.78 1.90 0.00 3.09 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 61 Q 8.43 4.80 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 62 N 8.21 4.66 0.00 2.84 2.96 0.00 0.00 6.63 8.56 0.00 0.00 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 A 8.63 4.07 1.29 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 0.00 0.00 0.00 64 Q 7.48 4.71 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.46 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 65 G 9.49 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 66 I 7.58 4.38 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 1.18 1.36 0.93 0.00 0.00 67 I 8.36 4.16 1.79 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 1.17 0.83 0.79 0.00 0.00 68 E 9.16 4.50 0.00 1.82 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 2.12 2.19 0.00 69 L 8.22 4.70 0.00 0.50 0.13 0.70 0.71 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 70 Q 8.75 4.82 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 71 G 8.88 4.59 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 0.00 0.00 0.00 72 D 9.13 4.91 0.00 2.86 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 73 S 8.73 5.63 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 74 D 9.02 4.87 0.00 2.82 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 75 A 8.14 4.59 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 76 A 8.94 3.97 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.66 3.49 1.72 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.19 0.97 0.00 0.00 78 V 7.68 3.55 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 1.00 0.00 0.00 0.91 0.00 0.00 79 K 8.46 3.96 0.00 1.92 1.90 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.42 7.81 80 G 7.95 3.48 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 0.00 81 L 7.90 4.00 0.00 1.91 1.68 0.95 0.96 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 82 I 7.75 3.43 1.78 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 1.31 0.68 -0.08 0.00 0.00 83 A 7.76 3.75 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 84 V 7.69 3.43 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 1.05 0.00 0.00 0.89 0.00 0.00 85 V 7.93 3.67 2.21 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 1.34 0.00 0.00 1.09 0.00 0.00 86 F 8.12 4.56 0.00 3.09 3.07 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 87 I 8.05 3.86 1.98 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 1.65 0.88 0.90 0.00 0.00 88 L 7.50 3.66 0.00 1.36 1.34 -0.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.45 4.76 0.00 3.03 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 90 D 7.39 4.25 0.00 2.85 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 91 Q 8.38 3.18 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.39 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 *93 T 7.49 4.33 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 1.23 0.00 0.00 94 P 0.00 4.16 0.00 2.15 2.22 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 95 Q 8.05 4.00 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 96 D 7.96 4.79 0.00 2.98 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 97 I 7.36 3.85 1.89 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.56 0.20 0.00 0.00 98 V 7.61 3.78 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 0.87 0.00 0.00 0.94 0.00 0.00 99 N 8.11 4.93 0.00 3.14 3.08 0.00 0.00 6.65 8.09 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 0.00 100 F 7.71 4.74 0.00 3.08 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 0.00 101 D 8.55 4.49 0.00 2.66 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 0.00 102 V 7.88 3.37 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 0.02 0.00 0.00 1.13 0.00 0.00 103 R 8.15 4.08 0.00 1.99 2.13 0.00 3.26 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 104 P 0.00 4.48 0.00 2.12 2.25 0.00 4.03 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.93 0.00 105 W 8.00 3.77 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 7.89 4.48 0.00 3.27 3.10 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 0.00 107 E 8.56 4.22 0.00 2.16 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 2.40 2.66 0.00 108 K 7.66 3.96 0.00 1.80 1.87 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.51 7.81 *110 A 7.89 4.80 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 0.00 0.00 0.00 0.00 0.00 111 L 8.07 4.43 0.00 2.04 1.86 1.20 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.88 4.26 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 1.20 0.00 0.00 113 Q 7.93 4.13 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 114 H 7.67 4.22 0.00 1.48 1.58 0.00 5.88 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.49 4.51 0.00 1.66 1.66 1.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.02 4.12 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 1.20 0.00 0.00 117 P 0.00 4.20 0.00 2.15 2.12 0.00 3.57 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 2.08 2.11 0.00 118 S 8.00 4.05 0.00 3.87 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 0.00 119 R 7.89 3.88 0.00 2.02 2.03 0.00 3.24 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 120 S 8.18 4.08 0.00 4.03 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 0.00 121 Q 8.39 4.09 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 122 G 7.83 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 4.03 0.00 1.52 1.73 0.77 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.17 4.08 0.00 2.16 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 2.25 2.36 0.00 125 A 8.05 4.16 1.35 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 0.00 0.00 *127 I 7.66 4.18 2.05 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 1.52 0.85 1.06 0.00 0.00 128 R 8.33 3.88 0.00 1.87 2.20 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 129 A 8.50 3.99 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 0.00 130 I 7.72 3.63 2.03 0.00 0.00 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 1.74 0.77 0.58 0.00 0.00 131 R 8.30 3.79 0.00 1.84 1.97 0.00 3.28 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 132 A 8.25 3.97 1.38 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 0.00 0.00 0.00 0.00 0.00 133 K 7.78 3.89 0.00 1.92 1.85 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.53 7.81 134 A 8.16 4.06 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.50 3.93 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 0.00 136 A 8.08 4.24 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 0.00 137 L 7.42 4.47 0.00 1.69 1.70 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 138 S 7.68 4.65 0.00 3.91 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 0.00 139 L 8.20 4.08 0.00 1.67 1.85 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.42 4.25 0.00 1.72 1.72 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 2.26 2.25 0.00 141 H 8.42 4.63 0.00 3.13 3.33 0.00 5.92 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.13 4.08 0.00 2.95 2.87 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 8.82 3.70 0.00 3.09 3.26 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 7.94 4.36 0.00 3.20 3.34 0.00 5.76 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 0.00 145 H 7.51 4.78 0.00 3.32 3.36 0.00 5.68 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 7.72 4.47 0.00 3.19 3.23 0.00 5.70 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.