NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.7291 8.3349 116.8089 58.4578 64.2135 172.4052 3 L 4.7897 8.4814 122.7315 49.9585 44.0195 174.1139 4 P 4.4501 0.0000 0.0000 64.2179 32.6388 175.3757 5 D 4.4555 9.2791 116.6347 55.9440 37.9125 174.5259 6 G 3.6992 8.4405 103.7427 46.3039 0.0000 173.4704 7 F 5.6550 7.5050 115.3858 55.7921 43.1576 173.6568 8 Y 5.2224 8.5531 116.6597 56.2939 41.4542 173.2793 9 I 5.0891 8.4054 120.2417 59.5509 40.9696 174.2130 10 R 4.7478 8.3978 123.4542 54.2522 32.7190 177.5538 11 R 4.9324 8.3839 124.5250 55.2794 29.2313 178.5993 *13 E 4.2338 8.5779 127.0767 56.8201 30.5594 176.0572 14 E 4.0751 8.8290 119.4585 59.8299 29.5481 179.9117 15 G 3.8799 8.0716 105.4819 47.6412 0.0000 173.9610 16 D 4.5034 8.5828 119.6431 55.7328 40.7024 177.8191 17 L 2.6840 7.0560 117.9682 58.2337 42.0014 178.2633 18 E 3.8666 8.0063 117.2292 59.8683 29.7592 179.6980 19 Q 4.0141 7.9434 117.2543 58.7694 28.8025 178.6539 20 V 3.6326 8.3009 119.9832 66.2077 31.7458 178.2262 21 T 3.8356 8.1866 110.0223 64.8299 68.3482 176.0681 22 E 3.9343 8.0606 121.2653 59.1175 29.7578 178.2660 23 T 4.1423 8.0211 112.9790 64.5215 67.4231 176.4044 24 L 4.1237 8.3481 121.1716 56.7506 40.0820 179.1319 25 K 4.8266 8.2463 120.2344 59.0618 32.1392 179.3973 26 V 3.8264 7.4016 119.9712 63.9494 31.2692 177.5564 27 L 4.3130 7.7675 120.5449 56.6659 42.8872 175.7536 28 T 4.3373 6.9444 112.4498 62.7961 72.9888 172.2800 29 T 4.2855 8.3649 113.3208 61.9207 69.1719 174.5432 30 V 3.6660 8.6388 126.7633 64.4432 32.1345 176.9856 31 G 3.8536 7.9036 106.4657 44.5733 0.0000 172.1078 32 T 4.0198 8.3057 115.6189 63.3920 68.7834 174.2049 33 I 4.4917 8.0703 126.6061 59.1701 40.1470 175.7297 34 T 4.1669 8.4103 122.7545 62.3547 69.7675 173.4745 35 P 4.2811 0.0000 0.0000 65.8957 31.4056 178.1713 36 E 3.9332 8.1946 117.2168 59.4678 29.5805 178.9209 37 S 4.0583 8.0018 114.5513 61.5883 63.0141 176.2229 38 F 4.1052 8.3331 123.2890 61.5260 39.0629 176.9535 39 C 4.0540 8.3824 116.3717 62.7758 27.9444 176.2975 40 K 3.9358 8.1616 120.1721 59.1142 31.5499 179.2355 41 L 3.5394 7.9920 121.1226 58.0485 41.7021 179.1614 42 I 3.3713 7.3442 118.8793 63.8802 37.1433 178.3506 43 K 4.0666 7.8157 119.4866 59.4788 31.8379 178.4911 44 Y 4.1710 7.7973 119.6791 60.7766 38.5275 178.3777 45 W 4.1495 7.5972 117.4939 58.7054 29.1628 177.0389 46 N 4.8617 7.9465 114.8300 53.1103 38.5185 174.9184 47 E 4.3921 8.1453 120.0532 57.0606 31.9712 176.1452 48 A 3.9984 7.8880 121.2632 53.0137 18.3202 176.4462 49 T 4.7584 8.2743 118.8084 62.3642 71.4955 174.2113 50 V 4.1583 8.1727 124.1175 60.8834 32.8584 174.5744 51 W 4.4204 9.0954 135.0000 57.9914 31.1678 175.2134 52 N 4.3722 8.0862 125.0763 51.4237 38.4083 176.0151 53 D 4.3444 7.9772 115.7605 54.4685 39.9164 176.3116 54 N 3.9391 7.9673 113.7376 54.3072 36.3318 175.1550 *57 K 3.9478 7.9531 119.0664 55.9512 31.9953 174.0242 58 K 4.1546 8.4382 126.8289 55.8388 33.0990 176.1738 59 I 4.0589 7.7642 128.3370 59.6786 40.0468 174.5035 *61 Q 4.0580 8.5521 120.1607 56.8737 30.8016 175.4861 62 Y 4.3692 7.8451 114.7778 56.1903 39.3247 175.6292 63 N 5.1545 8.4031 119.3538 51.1752 38.4609 171.9649 64 P 4.2804 0.0000 0.0000 62.3744 34.1378 177.0878 *66 V 4.0956 8.0904 112.5517 61.4399 33.5871 174.5698 67 I 4.4544 8.3963 125.8855 60.1159 38.6858 174.8159 68 V 4.4794 8.5873 128.3130 60.8857 34.1788 174.3712 69 D 4.5145 9.0056 127.9407 53.4711 41.0573 176.8765 70 K 4.3581 9.1201 127.4344 59.1308 31.9226 179.1029 71 R 4.1134 8.8375 119.3369 58.5250 30.1352 177.2971 72 T 4.5755 7.2957 103.0754 60.0597 70.4174 173.0628 73 E 3.8869 8.7057 120.7963 58.4330 27.6238 174.2074 74 T 4.6845 7.5274 113.7976 61.2547 71.8935 174.6305 75 V 3.9440 8.5706 125.8263 63.6523 31.5905 175.2071 76 A 4.2200 9.0682 129.0940 52.4574 21.1314 175.7615 77 A 4.7871 7.4233 114.6978 51.7651 22.6958 175.1087 78 T 4.8050 8.7463 113.4078 61.0698 71.3139 172.8471 79 G 4.5052 8.1448 110.6424 45.4173 0.0000 171.9951 80 N 5.3603 9.0005 120.4091 51.4269 42.7924 173.0535 81 I 4.9019 7.9343 123.5511 59.4366 40.8611 174.2733 82 I 4.2628 8.6328 131.1076 59.8613 39.0867 174.7299 83 I 4.7844 8.2297 128.4963 59.6377 38.4118 174.9882 84 E 4.7227 9.0189 125.2156 54.3856 32.6992 174.7311 85 R 4.8376 8.6082 122.5420 55.3036 31.5739 175.5820 86 K 4.5923 9.1765 125.7992 55.1613 35.3104 177.3841 87 I 3.8766 8.2989 120.6206 63.7622 37.8384 177.0104 88 I 3.9696 7.5590 112.7537 61.6466 37.7500 174.3418 89 H 3.6904 9.0111 116.7108 57.3990 28.3317 174.1089 90 E 3.6395 8.7751 111.0348 57.6625 26.5870 174.6749 91 L 4.5347 7.8536 112.2601 55.0306 40.4709 176.0274 92 G 3.8414 8.0377 104.8667 46.2308 0.0000 173.3456 93 L 5.2258 8.6251 120.9293 53.3950 43.7064 175.0885 94 C 4.9166 9.1503 124.4863 57.4069 34.4999 172.5926 95 G 4.2139 8.4611 112.7662 44.8624 0.0000 172.1676 96 H 5.2939 9.1104 120.6408 53.7373 31.5527 172.9875 97 I 4.5827 8.3500 125.5372 60.7018 37.8245 175.5632 98 E 4.5815 9.1854 125.5122 54.4169 34.5707 174.5395 99 D 4.3846 8.3588 118.0515 55.5819 38.3953 174.0676 100 I 4.5018 7.5304 117.8683 60.8784 38.5243 177.2438 101 A 4.6414 9.0870 128.1357 50.5701 23.0326 174.7366 102 V 4.4737 8.1564 121.7584 60.5921 33.6888 174.9429 103 N 4.4040 9.1570 127.5530 54.0760 39.6030 175.4256 104 S 4.2419 9.2098 122.4698 62.0069 62.9882 176.8832 105 K 3.9781 8.0959 116.1934 58.3804 31.7201 176.9230 106 Y 4.8268 8.0736 115.3584 57.5063 38.5557 175.8891 107 Q 4.0973 7.7815 120.5323 56.8811 29.2860 177.6400 108 G 3.9840 8.6183 107.0706 46.1591 0.0000 174.2652 109 Q 4.2905 7.6548 116.4432 55.3862 29.1195 176.4369 110 G 3.9510 8.1345 106.0486 46.4911 0.0000 175.8723 111 L 3.9273 7.7730 122.0570 57.1967 41.4149 179.1926 112 G 3.7283 8.0616 105.3791 47.8909 0.0000 175.3487 113 K 4.0693 8.1472 121.6987 59.1135 32.3389 178.5701 114 L 3.9797 7.7336 118.7869 57.6893 41.5001 179.2054 115 L 3.9082 8.2296 120.4657 58.4217 42.0085 179.0859 116 I 3.7570 8.0954 119.8871 64.4320 37.0045 177.8999 117 D 4.3776 8.2998 118.8762 57.4269 41.0565 178.4627 118 Q 3.9524 8.0692 118.5089 58.9429 28.6842 178.5639 119 L 3.9460 8.0741 120.1226 57.7777 41.5768 179.7108 120 V 3.3193 8.1510 118.4968 66.2412 31.3834 178.1955 121 T 3.9128 7.8468 115.3527 66.6236 68.2792 176.6902 122 I 3.5175 7.7645 121.6947 64.1865 37.0786 178.3700 123 G 3.6679 8.1064 106.8051 48.2903 0.0000 175.6874 124 F 4.6869 8.1614 121.0283 60.0914 38.6684 177.5822 125 D 4.4757 8.2049 117.8782 57.0895 40.6631 177.8098 126 Y 4.6161 7.7922 116.3342 58.7097 38.0103 176.2032 127 G 4.1986 7.8134 106.5874 45.2178 0.0000 173.9670 128 C 4.5089 7.9195 117.9704 60.2531 28.4580 173.6854 129 Y 4.4526 8.6251 121.8740 58.3346 38.5611 175.0770 130 K 4.5839 6.7185 118.1081 56.2828 35.6750 174.1723 131 I 5.0558 8.0675 120.8577 59.5324 40.8678 174.7022 132 I 4.9590 8.7516 119.0030 59.5032 41.4214 173.7493 133 L 4.6555 8.1368 120.7849 55.1742 42.8656 173.8757 134 D 4.9240 8.4512 119.8571 52.7404 43.0266 175.6011 135 C 4.8425 8.0005 116.0949 56.4685 33.0477 173.3878 136 D 4.6102 8.4385 119.8342 53.7023 41.2921 177.1855 137 E 3.9394 8.9374 122.4988 59.2835 29.5797 179.1864 138 K 4.2210 8.0134 116.0180 58.7049 33.3477 177.6016 139 N 4.7994 8.2395 116.6314 53.1314 38.6019 176.7729 140 V 3.7500 7.4660 120.6980 66.1954 31.5936 178.1172 141 K 4.4594 8.0438 119.0259 58.8274 32.0562 178.8253 142 F 4.0726 8.1624 120.4582 61.7129 39.3234 176.7291 143 Y 3.9140 7.8382 115.9658 60.6492 37.5030 178.0715 144 E 4.9458 8.4329 121.6222 58.8851 29.3747 179.2989 145 K 4.0862 8.1505 117.5256 58.6403 32.0980 177.9955 146 C 4.5305 7.0703 114.3407 59.2087 28.5016 174.2373 147 G 3.9949 8.1350 109.1041 45.0979 0.0000 174.1105 148 F 4.4248 8.5318 119.2280 56.3914 40.1092 174.9756 149 S 5.0256 8.1709 116.8051 55.8661 65.9177 173.3107 150 N 4.2981 8.8679 120.1455 54.1853 38.7621 174.3831 151 A 4.6834 9.4885 127.0239 50.9534 20.9502 176.3566 152 G 3.9092 6.1873 100.5515 45.6275 0.0000 171.3967 153 V 4.2930 7.8911 119.0751 60.9173 33.9433 176.2858 154 E 4.2153 8.4952 127.8987 55.0166 30.9981 174.7238 *156 Q 4.1744 8.0837 117.4129 56.0073 29.5281 174.3060 157 I 4.5725 7.9301 117.5110 59.5746 41.1252 175.0922 158 R 4.2434 8.6228 124.9908 56.3855 30.1818 176.0374 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 8.33 4.73 0.00 3.91 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 3 L 8.48 4.79 0.00 1.72 1.61 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.45 0.00 2.29 2.23 0.00 3.86 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 5 D 9.28 4.46 0.00 3.19 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 6 G 8.44 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 7 F 7.50 5.65 0.00 3.01 2.82 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 8 Y 8.55 5.22 0.00 3.05 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 9 I 8.41 5.09 1.87 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 1.41 1.14 0.95 0.00 0.00 10 R 8.40 4.75 0.00 1.96 2.10 0.00 3.36 0.00 0.00 3.50 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 11 R 8.38 4.93 0.00 1.88 1.40 0.00 3.34 0.00 0.00 2.98 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 *13 E 8.58 4.23 0.00 2.26 1.98 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 2.35 2.58 0.00 14 E 8.83 4.08 0.00 2.07 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 0.00 2.32 2.30 0.00 15 G 8.07 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.58 4.50 0.00 3.01 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 17 L 7.06 2.68 0.00 1.08 1.35 0.11 0.72 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 18 E 8.01 3.87 0.00 2.05 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 0.00 2.37 2.42 0.00 19 Q 7.94 4.01 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 20 V 8.30 3.63 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 1.27 0.00 0.00 1.08 0.00 0.00 21 T 8.19 3.84 4.20 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 0.00 0.00 1.13 0.00 0.00 22 E 8.06 3.93 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 23 T 8.02 4.14 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 1.30 0.00 0.00 24 L 8.35 4.12 0.00 1.87 1.73 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.25 4.83 0.00 2.02 2.08 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.31 7.81 26 V 7.40 3.83 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 0.78 0.00 0.00 0.96 0.00 0.00 27 L 7.77 4.31 0.00 1.63 1.92 0.98 1.05 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 28 T 6.94 4.34 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 1.22 0.00 0.00 29 T 8.36 4.29 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 1.21 0.00 0.00 30 V 8.64 3.67 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 0.80 0.00 0.00 1.07 0.00 0.00 31 G 7.90 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 0.00 0.00 0.00 32 T 8.31 4.02 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 1.20 0.00 0.00 33 I 8.07 4.49 1.80 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 0.77 0.91 0.00 0.00 34 T 8.41 4.17 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 35 P 0.00 4.28 0.00 2.16 2.14 0.00 3.60 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 2.10 2.13 0.00 36 E 8.19 3.93 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 2.37 2.40 0.00 37 S 8.00 4.06 0.00 4.10 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 38 F 8.33 4.11 0.00 3.03 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 39 C 8.38 4.05 0.00 3.18 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.16 3.94 0.00 1.84 1.76 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.59 7.81 41 L 7.99 3.54 0.00 1.40 1.21 0.13 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.34 3.37 1.56 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.35 0.83 0.00 0.00 43 K 7.82 4.07 0.00 2.04 1.84 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 44 Y 7.80 4.17 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 W 7.60 4.15 0.00 3.42 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 46 N 7.95 4.86 0.00 2.81 2.86 0.00 0.00 6.77 7.19 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 47 E 8.15 4.39 0.00 1.93 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 0.00 2.25 2.22 0.00 48 A 7.89 4.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.27 4.76 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 1.26 0.00 0.00 50 V 8.17 4.16 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 0.66 0.00 0.00 0.82 0.00 0.00 51 W 9.10 4.42 0.00 3.40 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 52 N 8.09 4.37 0.00 2.80 2.86 0.00 0.00 6.20 8.07 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 53 D 7.98 4.34 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.97 3.94 0.00 2.79 2.94 0.00 0.00 6.74 7.51 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 *57 K 7.95 3.95 0.00 1.73 1.78 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.47 7.81 58 K 8.44 4.15 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 59 I 7.76 4.06 1.59 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.72 0.18 0.00 0.00 *61 Q 8.55 4.06 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.92 0.00 0.00 0.00 0.00 0.00 2.08 2.42 0.00 62 Y 7.85 4.37 0.00 2.46 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 0.00 0.00 0.00 0.00 63 N 8.40 5.15 0.00 2.79 2.71 0.00 0.00 6.61 8.00 0.00 0.00 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 P 0.00 4.28 0.00 2.20 1.84 0.00 3.73 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 *66 V 8.09 4.10 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 0.75 0.00 0.00 0.92 0.00 0.00 67 I 8.40 4.45 1.69 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.60 0.65 0.00 0.00 68 V 8.59 4.48 0.67 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 0.89 0.00 0.00 0.59 0.00 0.00 69 D 9.01 4.51 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.12 4.36 0.00 1.71 1.89 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.76 7.81 71 R 8.84 4.11 0.00 1.84 1.98 0.00 3.04 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 72 T 7.30 4.58 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 1.24 0.00 0.00 73 E 8.71 3.89 0.00 2.15 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 0.00 2.30 2.47 0.00 74 T 7.53 4.68 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 1.33 0.00 0.00 75 V 8.57 3.94 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 0.75 0.00 0.00 0.93 0.00 0.00 76 A 9.07 4.22 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 77 A 7.42 4.79 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 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.75 4.81 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 79 G 8.14 4.51 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 0.00 0.00 0.00 80 N 9.00 5.36 0.00 2.63 2.62 0.00 0.00 6.73 8.82 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 81 I 7.93 4.90 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.96 0.87 0.00 0.00 82 I 8.63 4.26 1.61 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 -0.10 -0.07 0.44 0.00 0.00 83 I 8.23 4.78 1.64 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 1.27 0.52 0.76 0.00 0.00 84 E 9.02 4.72 0.00 1.99 2.01 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 2.41 2.26 0.00 85 R 8.61 4.84 0.00 1.90 1.96 0.00 3.44 0.00 0.00 3.48 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 86 K 9.18 4.59 0.00 1.89 1.78 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.48 7.81 87 I 8.30 3.88 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 1.49 0.72 0.92 0.00 0.00 88 I 7.56 3.97 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 0.93 0.00 0.00 89 H 9.01 3.69 0.00 2.72 2.68 0.00 5.88 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.78 3.64 0.00 2.09 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 2.11 2.20 0.00 91 L 7.85 4.53 0.00 1.80 1.84 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.04 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 93 L 8.63 5.23 0.00 1.70 1.62 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 94 C 9.15 4.92 0.00 2.99 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.46 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 96 H 9.11 5.29 0.00 2.88 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.35 4.58 1.75 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.42 0.82 0.00 0.00 98 E 9.19 4.58 0.00 1.76 1.75 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 2.17 2.32 0.00 99 D 8.36 4.38 0.00 2.84 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 0.00 100 I 7.53 4.50 1.95 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 1.31 0.87 0.97 0.00 0.00 101 A 9.09 4.64 1.20 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 0.00 0.00 0.00 0.00 0.00 102 V 8.16 4.47 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 0.79 0.00 0.00 0.83 0.00 0.00 103 N 9.16 4.40 0.00 2.96 3.05 0.00 0.00 6.78 7.57 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 0.00 104 S 9.21 4.24 0.00 3.92 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 0.00 105 K 8.10 3.98 0.00 1.29 1.54 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.45 7.81 106 Y 8.07 4.83 0.00 2.99 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 0.00 107 Q 7.78 4.10 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.61 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 108 G 8.62 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 0.00 109 Q 7.65 4.29 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.17 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 110 G 8.13 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.77 3.93 0.00 1.55 1.50 0.31 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.06 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.15 4.07 0.00 1.97 2.05 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.55 7.81 114 L 7.73 3.98 0.00 1.82 1.67 0.81 0.65 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 0.00 115 L 8.23 3.91 0.00 1.71 1.95 0.90 0.94 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 0.00 116 I 8.10 3.76 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.02 1.09 0.00 0.00 117 D 8.30 4.38 0.00 2.94 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.07 3.95 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 119 L 8.07 3.95 0.00 1.82 1.68 0.91 0.74 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 0.00 120 V 8.15 3.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.10 0.00 0.00 121 T 7.85 3.91 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 122 I 7.76 3.52 1.92 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 1.29 0.57 0.72 0.00 0.00 123 G 8.11 3.67 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 0.00 0.00 0.00 124 F 8.16 4.69 0.00 3.05 2.94 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 0.00 125 D 8.20 4.48 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.79 4.62 0.00 3.17 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 0.00 127 G 7.81 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 128 C 7.92 4.51 0.00 3.07 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 0.00 129 Y 8.63 4.45 0.00 3.04 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 0.00 130 K 6.72 4.58 0.00 1.62 1.56 0.00 1.29 0.00 0.00 1.61 0.00 0.00 2.67 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.35 1.06 7.81 131 I 8.07 5.06 1.60 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.04 0.83 0.00 0.00 132 I 8.75 4.96 1.83 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 1.25 0.75 0.81 0.00 0.00 133 L 8.14 4.66 0.00 1.43 1.40 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.45 4.92 0.00 2.62 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 C 8.00 4.84 0.00 3.21 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.44 4.61 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.94 3.94 0.00 2.06 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 0.00 2.40 2.41 0.00 138 K 8.01 4.22 0.00 1.91 1.93 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.47 7.81 139 N 8.24 4.80 0.00 3.05 3.02 0.00 0.00 6.45 7.24 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 0.00 140 V 7.47 3.75 2.26 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 1.18 0.00 0.00 1.00 0.00 0.00 141 K 8.04 4.46 0.00 1.85 1.87 0.00 2.04 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.33 7.81 142 F 8.16 4.07 0.00 2.95 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 0.00 143 Y 7.84 3.91 0.00 3.24 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 0.00 144 E 8.43 4.95 0.00 2.17 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 2.52 2.46 0.00 145 K 8.15 4.09 0.00 1.76 1.80 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.57 7.81 146 C 7.07 4.53 0.00 3.35 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.14 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.53 4.42 0.00 3.31 2.98 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 0.00 149 S 8.17 5.03 0.00 3.94 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 0.00 150 N 8.87 4.30 0.00 2.73 2.81 0.00 0.00 6.78 7.96 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 0.00 151 A 9.49 4.68 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 0.00 152 G 6.19 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 0.00 153 V 7.89 4.29 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 0.85 0.00 0.00 0.94 0.00 0.00 154 E 8.50 4.22 0.00 2.08 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 2.26 2.42 0.00 *156 Q 8.08 4.17 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.46 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 157 I 7.93 4.57 1.88 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 0.90 0.92 0.00 0.00 158 R 8.62 4.24 0.00 1.83 1.81 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.