NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5775 8.2833 118.1611 52.3776 38.8517 174.7594 3 H 4.0098 8.5779 116.6605 59.0359 28.4728 174.6506 4 E 3.9395 8.2488 120.2967 59.6440 29.7954 178.7073 5 T 3.6571 7.5065 112.8615 65.1103 67.4259 176.1595 6 F 4.1076 7.3064 119.0677 60.4624 39.0537 177.3115 7 L 4.0805 7.9215 120.0899 57.9381 41.8636 178.8965 8 K 3.9407 8.4527 120.1119 59.4812 32.1501 178.8038 9 R 3.9129 8.1381 118.8229 59.1997 29.9229 178.4286 10 A 4.0682 7.8849 120.6600 55.0666 18.4288 179.8104 11 V 3.6054 7.8221 116.5819 66.2645 31.4997 178.4809 12 T 3.8773 8.0619 115.6943 66.4467 68.1870 176.5609 13 L 3.9599 8.0386 120.7132 57.7741 41.6945 179.3694 14 A 3.9762 7.9469 120.5481 55.4061 18.2790 179.5252 15 C 4.0601 7.9999 115.0553 63.1303 28.1300 176.2955 16 E 4.0991 8.5140 120.3934 59.1514 28.9565 179.7271 17 G 3.5975 8.3604 106.4376 47.8467 0.0000 175.7629 18 V 3.7324 7.7914 120.8343 65.8240 31.4506 177.8070 19 N 4.3703 8.3061 115.8228 55.6846 38.6063 175.8004 20 A 4.3742 7.7494 118.8754 51.2021 19.4025 177.2407 21 G 4.0026 8.4874 104.2260 46.4093 0.0000 175.2862 22 I 4.0623 7.7241 115.4026 61.5237 38.6584 175.6860 23 G 4.7601 6.6934 105.8676 46.1707 0.0000 172.3542 24 G 4.0257 8.7038 110.9209 44.1195 0.0000 172.6562 25 P 4.3591 0.0000 0.0000 62.2619 30.2103 176.6693 26 F 4.8689 7.6993 116.1617 56.6863 43.4413 175.6659 27 G 4.7105 9.3595 109.0867 44.9024 0.0000 171.0090 28 A 5.3979 9.0025 121.1156 50.7142 23.3007 175.5283 29 V 4.9135 9.4328 118.7647 61.3567 35.8728 174.1278 30 I 5.1110 8.6129 126.8224 59.6690 40.4264 174.8878 31 V 4.9400 8.8083 120.0022 59.4923 35.5175 174.7663 32 K 4.6189 8.5099 124.2244 55.1386 35.5005 176.0464 33 D 4.3472 9.5113 127.8405 55.7623 38.1079 174.2793 34 G 3.9921 8.4477 102.4555 46.0205 0.0000 173.2816 35 A 4.6608 7.6059 122.4343 49.8527 20.9685 177.0226 36 I 4.2883 8.1889 123.5220 60.9740 36.0548 175.9846 37 I 4.0982 8.3829 126.7889 63.1313 37.6847 176.1184 38 A 4.5646 7.4789 121.1453 51.2128 22.3717 174.9930 39 E 5.0686 8.8655 118.6437 54.7095 33.2799 175.3566 40 G 4.3925 9.3305 111.0283 44.5919 0.0000 171.5115 41 Q 5.1788 8.4777 119.2042 53.4908 33.3817 174.4910 42 N 4.8084 9.0567 121.7616 53.2968 39.8621 175.0121 43 N 5.8629 8.8363 125.3215 50.5313 38.3284 176.9921 44 V 3.8774 8.5600 119.0915 67.7472 31.4525 176.7340 45 T 3.8614 7.8360 108.4954 65.2115 68.7189 176.0123 46 T 4.1469 7.9402 113.9993 63.1584 67.3569 174.1358 47 S 4.5870 7.4750 112.9026 58.1266 64.2929 173.9136 48 N 4.0380 7.9156 115.7589 54.8786 36.3461 175.8572 49 D 4.5741 8.1449 117.7938 51.6069 42.7072 173.5208 50 P 4.3142 0.0000 0.0000 65.0696 31.3313 177.4256 51 T 4.1498 8.1103 107.6109 61.6737 69.8479 174.9610 52 A 4.3629 8.0190 128.0831 52.2199 17.7436 176.9640 53 H 4.8622 7.7100 119.9964 54.6163 31.6886 176.0876 54 A 4.0834 8.6330 124.6031 55.7688 17.7935 180.0513 55 E 3.9764 8.1570 115.2806 59.6536 29.7465 179.2817 56 V 3.7033 7.7757 118.7810 66.0003 31.7580 178.0300 57 T 3.9367 8.4191 115.7846 66.4607 68.2676 176.6654 58 A 4.0651 8.1990 122.8615 54.9621 18.3334 179.7698 59 I 3.6341 7.9560 118.3710 64.6357 37.2418 178.6026 60 R 3.9570 7.9463 118.8151 59.4309 29.9041 179.3313 61 K 3.9541 8.0309 117.4426 59.3258 32.0870 179.1650 62 A 3.9996 8.5446 121.3312 55.6287 18.3414 179.5468 63 C 4.1430 8.5043 115.5238 62.6810 28.1624 176.1962 64 K 3.9311 8.0914 121.3556 59.4943 31.5500 178.9695 65 V 3.5987 7.7322 117.3299 66.0028 31.6412 177.4758 66 L 4.2582 7.9548 115.6197 54.2772 42.5111 176.7265 67 G 3.9557 7.7504 106.8908 45.7956 0.0000 171.6479 68 A 4.6060 8.0495 118.8480 51.3450 22.8609 176.0035 69 Y 4.9435 7.7627 113.4336 56.6026 38.6584 175.3071 70 Q 4.7496 7.7566 117.5251 54.8274 33.2121 175.7639 71 L 4.6042 8.6218 122.8419 53.9058 41.0873 176.7460 72 D 4.5939 7.6112 118.3549 55.3821 41.8198 176.4688 73 D 4.4691 8.7892 122.1579 55.8036 39.5180 172.7651 74 C 5.2359 7.8516 112.5884 57.5174 32.5512 173.1297 75 I 4.8479 8.4949 121.3325 59.4287 40.6305 174.1203 76 L 5.0024 8.6360 128.4773 53.5673 44.3872 174.3977 77 Y 5.4421 9.6125 124.9163 56.4362 40.7671 174.7960 78 T 5.3149 9.1605 114.9075 59.6543 71.8557 175.3585 79 S 4.4598 9.2190 118.5359 61.2091 63.9482 173.1069 80 C 5.3468 7.9719 118.7503 57.6844 34.6936 172.8901 81 E 3.4694 8.7679 124.7491 55.7508 29.3606 174.9825 82 P 4.6616 0.0000 0.0000 62.4490 32.2656 174.9530 83 C 4.9276 8.4969 116.4539 52.9491 44.0279 173.0111 84 P 3.9513 0.0000 0.0000 63.6915 30.7855 179.0868 *86 C 4.6187 8.1863 117.8939 56.9510 41.6782 176.3956 87 L 4.1084 8.2905 120.5441 57.6743 41.2333 179.3685 88 G 3.6263 8.3370 105.7320 47.8305 0.0000 175.5122 89 A 4.2772 8.0618 122.5040 54.9190 18.3983 179.5786 90 I 3.6277 7.5894 117.8532 64.9844 37.0539 178.4016 91 Y 3.7517 7.8943 115.6122 60.3115 37.6265 178.0516 92 W 4.7274 7.9142 119.2335 59.1810 29.5730 178.1838 93 A 4.1924 8.4785 121.0972 53.2822 18.6650 177.4616 94 R 3.6655 8.5949 113.5563 56.4713 26.3001 174.6393 95 P 5.2393 0.0000 0.0000 61.7771 32.6402 177.5355 96 K 4.2699 8.5748 118.6385 59.2634 33.1924 176.3773 97 A 4.6123 7.4233 118.3672 51.2823 23.2403 175.4917 98 V 4.9036 8.0517 117.9548 60.3258 34.4518 174.4325 99 F 5.0287 9.5787 123.0635 55.9096 42.2503 173.8973 100 Y 5.6752 8.3831 118.1699 56.1279 40.5489 173.1056 101 A 4.2943 9.2344 122.3445 53.7708 18.6202 177.5402 102 A 4.2338 7.8019 115.7185 51.1864 20.6611 178.0568 103 E 4.7965 9.9849 121.1954 55.2326 31.5505 177.4156 104 H 4.4651 8.8705 115.9750 58.6534 28.4422 177.7903 105 T 4.0259 7.6295 112.5967 64.6436 68.3229 176.3303 106 D 4.5536 7.9440 121.5060 57.2383 40.8321 178.5161 107 A 4.1935 8.1365 120.6733 54.9120 18.4842 179.4583 108 A 4.0753 8.0205 119.2364 55.5137 18.3253 179.7682 109 E 4.0413 8.2835 115.4654 58.8861 29.5760 178.5910 110 A 4.5106 7.5280 118.5258 52.1296 19.1531 177.8801 111 G 3.9479 8.0056 105.4518 45.2627 0.0000 174.6512 112 F 4.8535 8.7301 117.3292 55.8082 38.7307 174.5907 113 D 4.7240 8.0358 120.2182 53.8326 42.1524 175.2406 114 D 4.9850 8.7449 124.5626 53.3434 40.4113 178.0939 115 S 4.2070 8.3610 118.2848 62.0196 62.8126 176.3252 116 F 4.3306 8.8843 116.8002 60.1777 37.2391 177.4373 117 I 3.4757 6.6411 119.7403 63.9972 36.2768 177.8686 118 Y 3.8169 7.7869 117.3094 60.8137 37.5249 178.4025 119 K 4.0381 7.9333 118.5949 59.5784 32.5703 178.9985 120 E 4.0900 8.1311 118.7260 59.3990 29.2087 179.4160 121 I 3.6715 7.7012 118.7808 63.7461 37.1310 177.3551 122 D 4.4639 7.4943 117.0482 55.2337 41.3196 176.3728 123 K 4.2740 7.1848 118.4758 54.6070 32.5105 174.5887 124 P 4.1553 0.0000 0.0000 63.0651 31.7595 177.3548 125 A 4.3405 7.1523 130.6079 52.3256 19.9686 178.4553 126 E 3.9542 8.1614 112.7800 58.4666 30.2694 177.5700 127 E 4.5525 7.7293 120.3677 54.3402 28.3585 174.9175 128 R 4.8028 7.3429 117.4660 54.5797 34.8868 175.5401 129 T 3.9857 8.9538 118.7391 66.8897 68.6266 174.5702 130 I 4.2096 7.6556 121.4751 59.4200 37.8504 173.9083 131 P 4.4233 0.0000 0.0000 62.6858 32.0061 175.5561 132 F 4.5308 8.2052 121.8251 55.7706 40.9094 174.5645 133 Y 4.8570 8.4986 120.6718 56.1930 40.6427 175.1564 134 Q 4.4398 8.9199 124.9726 54.3944 29.5279 174.6222 135 V 4.0315 8.1205 125.3381 61.9141 32.6912 175.6799 136 T 4.2300 8.3450 123.5236 62.6913 68.4514 174.0765 137 L 4.7634 8.1237 127.1909 52.5852 43.9387 178.0777 138 T 3.9581 8.7552 114.3455 64.0339 68.9414 174.5856 139 E 4.5955 8.0770 119.0354 56.0349 29.8538 177.1782 140 H 4.2670 8.3331 117.0823 58.6404 28.6792 176.5565 141 L 4.5966 7.6546 118.6375 54.6270 41.7809 177.9875 142 S 4.1502 8.2113 116.7853 61.2908 62.5940 175.0076 143 P 4.1375 0.0000 0.0000 64.9865 30.9805 178.1165 144 F 4.5601 7.7931 117.4462 60.0652 38.9136 177.9166 145 Q 4.1061 8.0702 117.4225 58.9504 28.7356 178.1779 146 A 4.1178 8.4354 121.9720 54.6031 18.0705 179.5090 147 W 4.2835 7.8081 126.6767 60.5661 30.9926 178.0236 148 R 4.0021 8.1695 117.6428 59.2785 29.5278 177.8191 149 N 4.5328 8.1461 116.2302 55.3142 39.2072 175.2175 150 F 4.1431 7.7900 122.1464 58.6575 40.0210 174.5023 151 A 3.9204 8.1714 131.0775 55.3248 18.5881 179.3431 152 N 4.6264 6.6404 110.9483 53.0982 38.3445 175.3868 153 K 4.2571 7.4218 118.5974 56.6077 33.1158 176.8755 154 K 4.4097 8.6751 123.4283 54.5254 31.4546 175.8126 155 E 4.5045 8.8537 125.3859 56.6272 30.1271 176.0673 156 Y 5.0625 8.4555 122.0117 56.5339 38.6576 175.5399 157 L 4.4413 7.7912 125.6438 55.3669 42.3321 176.1984 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 N 8.28 4.58 0.00 2.79 2.91 0.00 0.00 6.10 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 3 H 8.58 4.01 0.00 3.31 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.25 3.94 0.00 2.00 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 2.39 2.44 0.00 5 T 7.51 3.66 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 0.43 0.00 0.00 6 F 7.31 4.11 0.00 1.96 1.83 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 7 L 7.92 4.08 0.00 2.07 1.86 1.29 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.45 3.94 0.00 1.97 1.94 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 9 R 8.14 3.91 0.00 2.04 2.17 0.00 3.20 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 10 A 7.88 4.07 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.82 3.61 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 1.01 0.00 0.00 1.02 0.00 0.00 12 T 8.06 3.88 4.40 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 1.21 0.00 0.00 13 L 8.04 3.96 0.00 1.97 1.75 1.01 0.91 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 14 A 7.95 3.98 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 15 C 8.00 4.06 0.00 3.15 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 16 E 8.51 4.10 0.00 2.13 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 2.59 0.00 17 G 8.36 3.60 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 0.00 0.00 0.00 18 V 7.79 3.73 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 1.02 0.00 0.00 0.92 0.00 0.00 19 N 8.31 4.37 0.00 2.76 2.89 0.00 0.00 7.07 6.93 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 20 A 7.75 4.37 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 21 G 8.49 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 22 I 7.72 4.06 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 1.38 0.64 0.93 0.00 0.00 23 G 6.69 4.76 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 0.00 0.00 0.00 24 G 8.70 4.03 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 0.00 0.00 0.00 25 P 0.00 4.36 0.00 1.55 1.80 0.00 3.29 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.23 0.00 26 F 7.70 4.87 0.00 2.92 2.90 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 27 G 9.36 4.71 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 0.00 0.00 0.00 28 A 9.00 5.40 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 29 V 9.43 4.91 2.17 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 0.92 0.00 0.00 0.98 0.00 0.00 30 I 8.61 5.11 1.88 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 1.26 0.71 0.95 0.00 0.00 31 V 8.81 4.94 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 -0.12 0.00 0.00 0.71 0.00 0.00 32 K 8.51 4.62 0.00 1.74 1.57 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.58 7.81 33 D 9.51 4.35 0.00 2.87 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 34 G 8.45 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 35 A 7.61 4.66 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.19 4.29 1.90 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 1.31 0.68 0.95 0.00 0.00 37 I 8.38 4.10 1.85 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 1.15 0.34 0.91 0.00 0.00 38 A 7.48 4.56 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.87 5.07 0.00 1.82 1.84 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 2.23 2.31 0.00 40 G 9.33 4.39 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 0.00 41 Q 8.48 5.18 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 42 N 9.06 4.81 0.00 2.97 3.05 0.00 0.00 6.81 6.01 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 43 N 8.84 5.86 0.00 2.91 2.97 0.00 0.00 6.45 7.71 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 44 V 8.56 3.88 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 1.18 0.00 0.00 1.11 0.00 0.00 45 T 7.84 3.86 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 46 T 7.94 4.15 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 47 S 7.47 4.59 0.00 3.98 3.86 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 48 N 7.92 4.04 0.00 2.76 2.88 0.00 0.00 6.52 8.06 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 49 D 8.14 4.57 0.00 2.73 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 50 P 0.00 4.31 0.00 2.23 2.20 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 51 T 8.11 4.15 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 1.19 0.00 0.00 52 A 8.02 4.36 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.71 4.86 0.00 3.16 3.29 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.63 4.08 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 3.98 0.00 2.20 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 0.00 2.39 2.32 0.00 56 V 7.78 3.70 2.30 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 1.13 0.00 0.00 0.94 0.00 0.00 57 T 8.42 3.94 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 1.24 0.00 0.00 58 A 8.20 4.07 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 59 I 7.96 3.63 2.06 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 1.55 0.94 0.97 0.00 0.00 60 R 7.95 3.96 0.00 2.05 2.01 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 61 K 8.03 3.95 0.00 2.01 1.87 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.62 7.81 62 A 8.54 4.00 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 C 8.50 4.14 0.00 3.00 3.33 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 64 K 8.09 3.93 0.00 1.98 2.02 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 65 V 7.73 3.60 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 0.90 0.00 0.00 1.03 0.00 0.00 66 L 7.95 4.26 0.00 1.67 1.68 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.75 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 68 A 8.05 4.61 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 69 Y 7.76 4.94 0.00 3.03 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 70 Q 7.76 4.75 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 7.51 0.00 0.00 0.00 0.00 0.00 1.96 2.22 0.00 71 L 8.62 4.60 0.00 1.65 1.61 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.61 4.59 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.79 4.47 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 C 7.85 5.24 0.00 3.01 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 75 I 8.49 4.85 1.74 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 0.57 0.00 0.00 76 L 8.64 5.00 0.00 1.73 1.47 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 9.61 5.44 0.00 2.97 2.93 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 78 T 9.16 5.31 4.56 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 1.35 0.00 0.00 79 S 9.22 4.46 0.00 3.95 4.39 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 80 C 7.97 5.35 0.00 3.13 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 81 E 8.77 3.47 0.00 1.53 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.58 0.00 82 P 0.00 4.66 0.00 1.92 1.97 0.00 3.48 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 83 C 8.50 4.93 0.00 2.96 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 84 P 0.00 3.95 0.00 1.83 1.50 0.00 3.41 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 1.45 0.52 0.00 *86 C 8.19 4.62 0.00 3.09 3.18 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 0.00 0.00 0.00 87 L 8.29 4.11 0.00 1.76 1.66 0.91 0.78 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 88 G 8.34 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 89 A 8.06 4.28 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.59 3.63 1.99 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 1.82 1.05 0.74 0.00 0.00 91 Y 7.89 3.75 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 W 7.91 4.73 0.00 3.37 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 93 A 8.48 4.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.59 3.67 0.00 1.98 2.05 0.00 3.18 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 95 P 0.00 5.24 0.00 2.30 2.13 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 96 K 8.57 4.27 0.00 1.76 1.96 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.40 7.81 97 A 7.42 4.61 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 98 V 8.05 4.90 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 0.68 0.00 0.00 1.01 0.00 0.00 99 F 9.58 5.03 0.00 2.83 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.38 5.68 0.00 2.88 2.91 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 0.00 101 A 9.23 4.29 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 0.00 102 A 7.80 4.23 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 0.00 103 E 9.98 4.80 0.00 2.02 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 2.43 2.42 0.00 104 H 8.87 4.47 0.00 3.45 3.72 0.00 5.46 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 0.00 105 T 7.63 4.03 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 1.03 0.00 0.00 106 D 7.94 4.55 0.00 2.92 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 0.00 107 A 8.14 4.19 1.67 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 0.00 108 A 8.02 4.08 1.52 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 0.00 109 E 8.28 4.04 0.00 2.17 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 0.00 2.38 2.51 0.00 110 A 7.53 4.51 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 G 8.01 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 0.00 112 F 8.73 4.85 0.00 3.27 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.04 4.72 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.74 4.98 0.00 2.87 2.93 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 0.00 115 S 8.36 4.21 0.00 4.22 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 0.00 116 F 8.88 4.33 0.00 3.37 3.31 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 0.00 117 I 6.64 3.48 1.54 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 0.68 -0.36 0.61 0.00 0.00 118 Y 7.79 3.82 0.00 3.11 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 0.00 119 K 7.93 4.04 0.00 1.98 1.91 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.66 7.81 120 E 8.13 4.09 0.00 1.95 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 2.62 2.58 0.00 121 I 7.70 3.67 1.71 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.46 0.77 0.00 0.00 122 D 7.49 4.46 0.00 2.90 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 0.00 123 K 7.18 4.27 0.00 1.86 1.77 0.00 1.82 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.58 7.81 124 P 0.00 4.16 0.00 2.30 2.04 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.28 0.00 125 A 7.15 4.34 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 0.00 126 E 8.16 3.95 0.00 2.11 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 2.27 2.29 0.00 127 E 7.73 4.55 0.00 1.93 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 0.00 2.22 2.28 0.00 128 R 7.34 4.80 0.00 1.99 1.90 0.00 2.56 0.00 0.00 2.77 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 129 T 8.95 3.99 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 1.26 0.00 0.00 130 I 7.66 4.21 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.59 0.78 0.00 0.00 131 P 0.00 4.42 0.00 1.41 1.96 0.00 3.70 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 1.90 2.04 0.00 132 F 8.21 4.53 0.00 2.98 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 0.00 133 Y 8.50 4.86 0.00 2.87 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 0.00 134 Q 8.92 4.44 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 135 V 8.12 4.03 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 0.87 0.00 0.00 0.95 0.00 0.00 136 T 8.35 4.23 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 1.19 0.00 0.00 137 L 8.12 4.76 0.00 1.73 1.57 0.92 0.66 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 0.00 138 T 8.76 3.96 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 1.23 0.00 0.00 139 E 8.08 4.60 0.00 2.13 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 2.29 2.21 0.00 140 H 8.33 4.27 0.00 3.36 3.58 0.00 5.55 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 0.00 141 L 7.65 4.60 0.00 1.71 1.83 0.93 0.77 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 0.00 142 S 8.21 4.15 0.00 3.99 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 0.00 143 P 0.00 4.14 0.00 1.86 2.13 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.68 0.00 144 F 7.79 4.56 0.00 3.35 3.11 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 0.00 0.00 0.00 0.00 145 Q 8.07 4.11 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 146 A 8.44 4.12 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 0.00 147 W 7.81 4.28 0.00 3.49 3.46 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 0.00 0.00 0.00 0.00 148 R 8.17 4.00 0.00 2.17 2.13 0.00 3.46 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 149 N 8.15 4.53 0.00 2.97 3.05 0.00 0.00 7.16 6.35 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 0.00 150 F 7.79 4.14 0.00 3.04 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 0.00 151 A 8.17 3.92 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 0.00 152 N 6.64 4.63 0.00 2.25 2.65 0.00 0.00 6.92 7.61 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 0.00 153 K 7.42 4.26 0.00 0.93 1.59 0.00 0.61 0.00 0.00 0.65 0.00 0.00 2.63 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.27 0.98 7.81 154 K 8.68 4.41 0.00 1.92 2.01 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.51 7.81 155 E 8.85 4.50 0.00 2.13 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 2.38 2.48 0.00 156 Y 8.46 5.06 0.00 2.86 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 0.00 157 L 7.79 4.44 0.00 1.49 1.59 -0.09 0.89 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 * Residues marked with a * may have inaccurate shift predictions.