NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.8114 8.3649 120.2929 53.2449 41.4237 174.2764 6 F 4.6772 8.6146 123.8707 56.5502 40.1199 173.1562 7 E 3.9628 9.7179 126.5913 60.2877 30.6865 176.0193 8 E 3.8595 8.1162 119.5156 56.1938 27.1919 171.4122 9 K 4.7427 8.6191 122.3329 54.0732 35.3504 174.4323 10 M 4.3518 8.6313 125.1331 54.8917 31.8693 175.4389 11 I 3.8892 9.2068 126.3570 62.9540 36.6473 175.7124 12 L 5.0126 7.7895 120.3140 54.3442 44.9120 175.1114 13 I 5.4195 8.3856 119.7993 59.7749 40.8270 174.7460 14 R 4.7932 9.4292 121.9119 54.9737 33.8481 173.9593 15 R 4.8060 8.8325 119.2611 53.4329 31.3516 174.7715 16 T 4.4206 8.1362 116.4953 61.3479 70.9474 172.7629 17 A 4.9062 8.1393 121.6139 50.6950 22.4767 175.9200 18 R 4.6234 8.7314 115.7524 54.7498 33.2844 174.1971 19 M 4.7282 8.1615 119.4104 54.2731 34.3356 175.3037 20 Q 4.3599 8.6329 118.3373 55.1696 32.8313 172.8999 21 A 3.9934 8.5672 125.1172 53.7454 18.8411 176.9396 22 G 4.1416 9.1171 111.2558 44.2148 0.0000 173.3410 23 G 3.8717 7.4888 106.6176 45.6378 0.0000 170.8957 24 R 4.7292 8.1275 115.4383 54.8360 31.2308 175.8125 25 R 4.6492 8.8795 121.8257 54.7543 32.9630 174.9472 26 F 5.2141 8.7903 123.3151 56.4174 41.6578 173.8557 27 R 4.4281 7.5423 117.5746 55.8743 34.1960 173.1981 28 F 5.2407 8.9193 119.2409 55.6179 43.3292 174.2267 29 G 4.4187 9.0653 110.1632 44.3971 0.0000 172.0548 30 A 5.4248 9.6367 127.6356 49.9916 22.3854 174.3536 31 L 5.2806 9.3301 125.5447 53.5442 44.1206 175.3698 32 V 4.7920 9.3684 126.4464 61.0401 35.2897 174.1315 33 V 4.8060 8.7617 125.4909 61.1513 34.5610 174.8289 34 V 4.5833 8.8551 126.7102 61.3834 34.4409 174.0965 35 G 4.8653 8.4912 114.5470 44.3606 0.0000 172.4932 36 D 4.6707 8.9948 121.9100 57.6997 39.9596 177.6714 37 R 4.7531 7.9511 117.2131 56.4947 28.6179 175.5657 38 Q 4.4972 9.2245 114.6134 55.1163 30.3000 174.8914 39 G 3.5918 7.7714 108.0119 45.0252 0.0000 173.0845 40 R 5.3594 8.6879 119.9549 53.0779 33.3801 175.0413 41 V 4.7713 8.2984 116.4442 59.4245 36.2701 174.8463 42 G 4.5156 8.8372 110.3596 44.0436 0.0000 171.3913 43 L 5.0353 8.4950 124.1831 52.9707 44.4291 175.5999 44 G 4.2069 9.0362 114.2023 44.2892 0.0000 170.4715 45 F 5.5623 9.1068 127.7044 56.8010 40.6657 174.6688 46 G 4.0976 10.0431 114.9914 44.3251 0.0000 171.6857 47 K 5.7079 8.0733 123.1893 53.6336 35.3197 175.2660 48 A 4.4096 8.5550 123.1185 50.9017 21.7866 175.4126 49 P 4.3621 0.0000 0.0000 65.4504 31.9277 177.0574 50 E 4.5724 8.2499 117.2694 54.0113 33.7152 175.3371 51 V 3.1210 7.1898 124.5894 65.6073 32.0354 175.9740 52 P 4.1671 0.0000 0.0000 65.7984 31.3007 178.1335 53 L 3.9345 7.9581 116.4126 58.5365 41.6928 178.9666 54 A 3.9639 8.5794 120.2441 56.2441 18.2262 179.5211 55 V 3.2513 8.8239 113.2736 66.2264 31.6849 177.9142 56 Q 3.8451 8.7853 118.0640 59.7680 29.1458 179.6223 57 K 3.9758 8.4974 118.6142 59.8171 32.2127 178.9498 58 A 4.2499 8.3099 120.7761 55.3488 18.2717 179.5850 59 G 3.6588 8.0940 104.0980 48.3038 0.0000 174.6145 60 Y 4.2640 8.4307 122.5671 60.9204 38.5424 178.1685 61 Y 3.8643 8.5861 116.7573 61.3793 38.0566 178.4054 62 A 4.0310 8.4336 122.1053 54.7577 18.2594 179.4373 63 R 3.7747 8.1546 116.2632 59.5034 30.5369 178.8280 64 R 4.2409 7.4776 115.2695 57.0313 30.6312 175.7636 65 N 4.7822 9.6679 116.6672 53.0554 41.3296 172.5038 66 M 5.5210 8.1834 124.6244 53.9839 36.7474 174.5704 67 V 4.4576 8.1150 117.0167 60.7456 35.1521 173.6960 68 E 4.5749 8.7650 121.9454 55.9402 29.1874 175.8287 69 V 3.7574 9.3725 128.1603 61.7557 31.5540 174.9562 70 P 4.5837 0.0000 0.0000 62.2568 28.6518 175.5676 71 L 4.1244 7.6229 125.2588 55.9897 42.8997 176.7816 72 Q 4.2363 8.6224 112.4320 56.6086 31.8190 174.9284 73 N 4.1849 9.7896 120.7309 53.2514 38.2145 174.3214 74 G 4.0626 8.0222 103.9777 46.3941 0.0000 172.8124 75 T 5.2403 7.9527 113.3230 58.6205 70.8390 172.5309 76 I 4.0158 8.0198 122.6516 59.6686 38.6300 173.8702 77 P 4.5310 0.0000 0.0000 65.9624 31.4785 175.4229 78 H 4.6959 7.4964 111.4670 54.4542 30.9721 173.5060 79 E 4.6209 8.7954 118.8661 56.5635 30.2429 176.8898 80 I 4.6087 8.7562 116.2450 59.6379 41.4294 173.2807 81 E 5.2307 8.8159 124.6309 54.5825 31.8404 175.5273 82 V 4.3539 8.7996 123.7760 61.2730 34.7488 173.7681 83 E 4.7274 8.9213 128.0191 55.3166 30.6676 176.3925 84 F 4.6622 9.0293 127.0431 56.5896 40.9235 176.0812 85 G 3.6316 8.0258 119.0093 45.5533 0.0000 173.2467 86 A 4.1407 8.4230 122.9300 54.8347 19.4420 178.0531 87 S 4.4810 8.0062 110.5894 58.7152 64.5836 173.5484 88 K 5.1434 8.8347 122.4039 55.5685 36.4119 174.5352 89 I 4.8455 8.1011 120.6794 60.1141 41.8709 173.0825 90 V 4.8256 8.4923 128.4459 61.2608 34.6493 174.7119 91 L 4.9267 8.7616 125.6444 53.3789 45.3943 175.2653 92 K 4.8896 9.5926 125.6572 53.4353 35.0813 174.1968 93 P 4.7221 0.0000 0.0000 62.2842 31.8119 175.5481 94 A 4.8766 8.4786 125.2812 49.4479 21.4522 176.1405 95 A 4.0174 8.6551 122.7056 51.6491 19.0138 176.0831 96 P 4.9910 0.0000 0.0000 63.0250 32.0137 175.9642 97 G 3.9631 8.6116 105.6846 47.5218 0.0000 174.9385 98 T 4.2088 9.4230 115.9633 66.1500 70.1695 174.9148 99 G 4.1657 6.7680 102.7372 43.6197 0.0000 173.1240 100 V 4.6363 7.8330 121.5594 61.2961 30.5767 174.2121 101 I 4.2421 8.4340 117.3087 59.5438 37.4418 175.0065 102 A 5.2525 7.4056 129.5009 51.5663 22.6924 175.8405 103 G 3.6792 9.1348 107.7072 45.9859 0.0000 176.2575 104 A 3.7918 7.9421 122.8074 55.0156 19.3959 179.6101 105 V 3.6137 7.9906 117.4940 64.5362 31.5404 175.6622 106 P 4.2471 0.0000 0.0000 66.9274 30.9003 177.1406 107 R 4.0466 8.4277 118.6584 57.1538 29.3117 178.2888 108 A 4.1095 8.2176 121.0427 55.6218 19.0700 179.9284 109 I 3.5374 7.8322 118.2684 64.6165 37.3358 178.7755 110 L 4.0801 8.1607 119.9047 57.2336 41.3746 179.3705 111 E 3.9738 9.0130 120.2435 59.6163 29.4011 179.4093 112 L 4.1744 7.5696 117.8263 57.1511 41.1704 179.2209 113 A 3.9862 7.7337 121.3775 54.8961 18.0381 178.6726 114 G 3.9827 7.7791 103.4716 45.8265 0.0000 175.0191 115 V 3.9659 7.1214 112.8784 61.9467 31.7756 175.9612 116 T 4.6288 9.5307 119.2176 63.4906 71.9875 173.5556 117 D 5.0463 7.7623 120.8569 52.8766 44.9124 174.2630 118 I 4.4561 8.6808 121.5876 60.0673 42.2686 172.6986 119 L 4.9662 10.1245 129.2115 53.6775 44.1042 175.9082 120 T 5.2009 8.2338 112.0867 60.6932 72.9665 171.9339 121 K 4.7005 8.0164 121.4123 56.6186 35.2337 173.8318 122 E 4.7828 8.9351 127.3025 55.6961 30.6463 175.7070 123 L 4.6599 8.5424 123.4085 53.7810 45.7238 177.8506 124 G 3.8885 8.7419 108.2079 45.5922 0.0000 173.3445 125 S 4.0931 7.9497 116.4435 59.0750 62.7040 174.9773 126 R 4.4053 8.4742 125.3541 55.8428 30.2711 175.8977 127 N 4.1917 7.8126 117.5069 53.5707 38.9116 172.4525 128 P 4.2463 0.0000 0.0000 65.0629 31.1033 179.3802 129 I 3.6353 7.3294 118.3411 64.6419 37.9764 177.2762 130 N 4.5637 10.4790 117.6164 56.6932 38.4710 177.7617 131 I 3.8222 8.1310 121.1568 64.6949 37.2446 177.1910 132 A 3.8806 9.1380 121.4399 55.1584 17.7726 178.4689 133 Y 3.7416 8.3327 115.8738 60.1408 38.4326 179.4037 134 A 3.8070 7.8829 121.6849 55.3051 18.5816 179.5247 135 T 3.7498 8.3586 114.6956 67.9535 68.5213 175.7512 136 M 3.7136 7.7822 118.3749 59.0031 31.6635 178.2148 137 E 3.8907 8.0086 122.5258 59.9757 30.2548 179.3368 138 A 4.0528 7.6930 120.5868 54.8304 18.4290 179.1932 139 L 3.8709 8.0715 116.2803 58.0113 41.8039 179.8758 140 R 3.9972 7.9493 116.5845 58.1702 30.2255 176.4133 141 Q 4.5949 7.6297 114.7181 56.2527 29.6758 175.6291 142 L 4.4777 8.3513 118.7909 54.5861 42.4246 176.2944 143 R 4.7619 8.4276 118.1651 54.8234 34.2767 174.6989 144 T 4.6727 9.5231 110.2328 59.0498 71.4591 175.1118 145 K 3.8044 8.6703 122.9755 60.4800 31.9030 177.6630 146 A 4.2306 8.1441 121.7626 53.9582 18.0414 177.8791 147 D 4.4578 8.0994 117.6427 54.6641 40.0159 178.5871 148 V 3.8687 7.5061 121.0056 65.7582 31.9528 177.4348 149 E 4.1387 8.1476 116.8971 58.4438 29.5447 178.6112 150 R 3.9406 8.5374 119.7430 58.9706 30.0555 177.4923 151 L 4.3685 7.5683 117.5722 55.8915 42.4784 176.9679 152 R 4.5011 7.4790 116.7939 55.9513 29.8783 178.0883 153 K 3.7696 7.5351 118.1590 55.2699 33.2533 177.0633 154 G 3.5704 7.7730 111.1601 47.1140 0.0000 173.7895 *155 E 4.1319 7.8429 116.6874 56.2029 30.4399 177.5863 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 5 D 8.36 4.81 0.00 2.80 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 6 F 8.61 4.68 0.00 3.00 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 7 E 9.72 3.96 0.00 2.10 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 2.35 2.32 0.00 8 E 8.12 3.86 0.00 2.21 2.00 0.00 0.00 0.00 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 2.33 0.00 9 K 8.62 4.74 0.00 1.87 1.62 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.35 7.81 10 M 8.63 4.35 0.00 2.10 2.19 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 2.57 2.55 0.00 11 I 9.21 3.89 1.98 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 1.27 0.78 0.90 0.00 0.00 12 L 7.79 5.01 0.00 1.66 1.72 0.90 0.59 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 13 I 8.39 5.42 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.63 0.99 0.00 0.00 14 R 9.43 4.79 0.00 1.90 2.09 0.00 2.80 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 15 R 8.83 4.81 0.00 2.09 1.99 0.00 2.78 0.00 0.00 4.01 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.97 0.00 16 T 8.14 4.42 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 1.21 0.00 0.00 17 A 8.14 4.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.73 4.62 0.00 1.75 1.90 0.00 2.71 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 19 M 8.16 4.73 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 20 Q 8.63 4.36 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 21 A 8.57 3.99 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 22 G 9.12 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 23 G 7.49 3.87 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 0.00 24 R 8.13 4.73 0.00 1.49 1.73 0.00 2.90 0.00 0.00 2.82 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.13 0.00 25 R 8.88 4.65 0.00 1.77 1.71 0.00 3.05 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 26 F 8.79 5.21 0.00 2.59 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 27 R 7.54 4.43 0.00 1.86 1.62 0.00 2.99 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 28 F 8.92 5.24 0.00 3.12 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 29 G 9.07 4.42 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 0.00 30 A 9.64 5.42 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 31 L 9.33 5.28 0.00 1.74 1.58 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.37 4.79 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 1.05 0.00 0.00 1.00 0.00 0.00 33 V 8.76 4.81 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 0.86 0.00 0.00 0.89 0.00 0.00 34 V 8.86 4.58 1.92 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 0.81 0.00 0.00 0.95 0.00 0.00 35 G 8.49 4.87 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 0.00 36 D 8.99 4.67 0.00 2.94 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 37 R 7.95 4.75 0.00 1.93 2.35 0.00 3.23 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 38 Q 9.22 4.50 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 39 G 7.77 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 0.00 0.00 0.00 40 R 8.69 5.36 0.00 2.07 1.75 0.00 3.15 0.00 0.00 3.41 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 41 V 8.30 4.77 1.97 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 0.77 0.00 0.00 0.85 0.00 0.00 42 G 8.84 4.52 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 0.00 0.00 0.00 43 L 8.49 5.04 0.00 1.38 1.22 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.04 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 0.00 0.00 0.00 0.00 45 F 9.11 5.56 0.00 3.04 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 46 G 10.04 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 0.00 0.00 0.00 47 K 8.07 5.71 0.00 1.40 1.55 0.00 0.61 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.97 0.61 7.81 48 A 8.55 4.41 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 49 P 0.00 4.36 0.00 2.12 2.26 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 50 E 8.25 4.57 0.00 2.06 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 2.21 2.28 0.00 51 V 7.19 3.12 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 0.89 0.00 0.00 0.30 0.00 0.00 52 P 0.00 4.17 0.00 2.16 2.05 0.00 3.59 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 2.06 2.13 0.00 53 L 7.96 3.93 0.00 1.91 1.79 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.58 3.96 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.82 3.25 2.31 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 1.01 0.00 0.00 0.97 0.00 0.00 56 Q 8.79 3.85 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.45 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 57 K 8.50 3.98 0.00 2.20 2.38 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.33 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.64 1.70 7.81 58 A 8.31 4.25 1.59 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 59 G 8.09 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.43 4.26 0.00 2.94 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 61 Y 8.59 3.86 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.43 4.03 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 63 R 8.15 3.77 0.00 1.75 2.11 0.00 3.30 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 64 R 7.48 4.24 0.00 1.39 1.90 0.00 2.98 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 65 N 9.67 4.78 0.00 2.80 2.76 0.00 0.00 6.83 7.53 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 66 M 8.18 5.52 0.00 1.77 1.83 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.29 0.00 67 V 8.12 4.46 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 0.67 0.00 0.00 0.90 0.00 0.00 68 E 8.76 4.57 0.00 1.99 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 2.26 2.30 0.00 69 V 9.37 3.76 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 0.76 0.00 0.00 0.98 0.00 0.00 70 P 0.00 4.58 0.00 2.22 2.08 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 71 L 7.62 4.12 0.00 1.66 1.69 0.94 0.97 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 72 Q 8.62 4.24 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.40 5.91 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 73 N 9.79 4.18 0.00 2.85 2.93 0.00 0.00 7.43 7.98 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 74 G 8.02 4.06 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 0.00 0.00 0.00 75 T 7.95 5.24 4.27 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 1.27 0.00 0.00 76 I 8.02 4.02 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.92 0.97 0.00 0.00 77 P 0.00 4.53 0.00 2.48 2.19 0.00 3.87 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 78 H 7.50 4.70 0.00 3.14 3.24 0.00 5.53 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.80 4.62 0.00 1.85 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 2.38 0.00 80 I 8.76 4.61 1.83 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 1.15 0.62 0.75 0.00 0.00 81 E 8.82 5.23 0.00 1.84 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 2.20 2.26 0.00 82 V 8.80 4.35 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 1.08 0.00 0.00 0.93 0.00 0.00 83 E 8.92 4.73 0.00 1.92 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 2.28 2.31 0.00 84 F 9.03 4.66 0.00 2.89 2.96 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 85 G 8.03 3.63 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 0.00 0.00 0.00 86 A 8.42 4.14 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 87 S 8.01 4.48 0.00 4.04 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 88 K 8.83 5.14 0.00 1.80 1.65 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 89 I 8.10 4.85 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.35 0.97 0.00 0.00 90 V 8.49 4.83 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 0.91 0.00 0.00 0.97 0.00 0.00 91 L 8.76 4.93 0.00 1.74 1.48 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.59 4.89 0.00 1.56 1.67 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.33 7.81 93 P 0.00 4.72 0.00 2.08 2.19 0.00 3.33 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 94 A 8.48 4.88 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 95 A 8.66 4.02 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 96 P 0.00 4.99 0.00 2.05 2.03 0.00 3.89 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 97 G 8.61 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 98 T 9.42 4.21 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 1.21 0.00 0.00 99 G 6.77 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.83 4.64 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 0.85 0.00 0.00 0.95 0.00 0.00 101 I 8.43 4.24 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.76 0.91 0.00 0.00 102 A 7.41 5.25 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 0.00 103 G 9.13 3.68 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 0.00 0.00 0.00 104 A 7.94 3.79 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 0.00 105 V 7.99 3.61 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 1.06 0.00 0.00 0.92 0.00 0.00 106 P 0.00 4.25 0.00 2.28 2.31 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.05 0.00 107 R 8.43 4.05 0.00 1.93 2.13 0.00 3.13 0.00 0.00 3.17 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 108 A 8.22 4.11 1.41 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 0.00 0.00 109 I 7.83 3.54 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.94 0.84 0.00 0.00 110 L 8.16 4.08 0.00 1.81 1.70 0.90 0.83 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 0.00 111 E 9.01 3.97 0.00 1.90 2.00 0.00 0.00 0.00 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 2.41 0.00 112 L 7.57 4.17 0.00 1.59 1.72 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.73 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 0.00 114 G 7.78 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 0.00 115 V 7.12 3.97 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 0.72 0.00 0.00 1.00 0.00 0.00 116 T 9.53 4.63 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 1.21 0.00 0.00 117 D 7.76 5.05 0.00 2.60 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 0.00 118 I 8.68 4.46 1.86 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 1.22 0.96 0.90 0.00 0.00 119 L 10.12 4.97 0.00 1.81 1.55 0.92 0.46 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 0.00 120 T 8.23 5.20 4.33 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 1.20 0.00 0.00 121 K 8.02 4.70 0.00 1.90 1.68 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.31 7.81 122 E 8.94 4.78 0.00 1.90 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 2.28 2.34 0.00 123 L 8.54 4.66 0.00 1.57 1.51 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.74 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 0.00 125 S 7.95 4.09 0.00 3.85 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 0.00 126 R 8.47 4.41 0.00 1.84 1.93 0.00 3.29 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 127 N 7.81 4.19 0.00 2.72 2.72 0.00 0.00 7.19 8.17 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 0.00 128 P 0.00 4.25 0.00 2.15 1.90 0.00 3.66 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 2.11 2.18 0.00 129 I 7.33 3.64 1.92 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.44 0.70 0.00 0.00 130 N 10.48 4.56 0.00 2.93 3.01 0.00 0.00 7.18 7.37 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 0.00 131 I 8.13 3.82 2.04 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 1.72 1.39 0.94 0.00 0.00 132 A 9.14 3.88 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 0.00 133 Y 8.33 3.74 0.00 2.65 2.35 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 0.00 134 A 7.88 3.81 1.44 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 0.00 0.00 135 T 8.36 3.75 4.27 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 1.16 0.00 0.00 136 M 7.78 3.71 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.67 0.00 137 E 8.01 3.89 0.00 1.87 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 2.28 2.49 0.00 138 A 7.69 4.05 1.32 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 0.00 0.00 139 L 8.07 3.87 0.00 1.76 1.71 0.86 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.95 4.00 0.00 1.80 1.94 0.00 3.37 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 141 Q 7.63 4.59 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 142 L 8.35 4.48 0.00 1.67 1.65 0.93 0.72 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 0.00 143 R 8.43 4.76 0.00 1.60 1.72 0.00 3.31 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 144 T 9.52 4.67 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 1.25 0.00 0.00 145 K 8.67 3.80 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.51 7.81 146 A 8.14 4.23 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 0.00 147 D 8.10 4.46 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.51 3.87 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 1.03 0.00 0.00 0.88 0.00 0.00 149 E 8.15 4.14 0.00 2.18 2.18 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 2.65 2.30 0.00 150 R 8.54 3.94 0.00 1.87 2.06 0.00 3.24 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 151 L 7.57 4.37 0.00 1.76 1.70 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.48 4.50 0.00 1.82 1.94 0.00 3.17 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 153 K 7.54 3.77 0.00 1.74 1.74 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.63 1.39 7.81 154 G 7.77 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 *155 E 7.84 4.13 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.