NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 I 4.5675 8.0249 120.4681 60.6262 37.1798 174.4049 14 R 4.5155 9.2465 125.7501 53.8119 35.2490 173.9544 15 Q 5.0028 8.5981 121.8353 54.7319 30.0624 175.8739 16 T 4.2138 8.3149 107.4639 63.5366 69.9633 175.6667 17 G 3.9574 8.6707 109.2498 45.5520 0.0000 172.9607 18 S 4.8183 7.6480 115.4264 57.2558 67.0562 173.6645 19 S 5.2912 8.4127 117.8409 57.7403 64.8125 172.3353 20 A 4.5319 8.3566 118.8428 51.8758 22.8393 175.0510 21 E 4.6558 8.8918 126.1895 55.7030 30.8830 175.7811 22 I 4.6237 8.9173 128.0690 58.9149 38.2887 171.2515 23 T 4.8269 8.6105 117.5530 59.4981 71.1209 175.3990 24 C 4.4439 8.6623 126.5574 56.5094 42.0899 173.8042 25 D 4.8144 8.6908 131.3882 52.2836 38.9610 174.0463 26 L 4.7144 7.9300 130.0260 53.5431 43.0903 176.8517 *32 G 4.2823 9.1252 105.4111 47.7649 0.0000 171.1275 33 Y 4.8200 8.5484 120.4502 57.9536 38.5524 175.7379 34 I 4.6274 8.8655 124.3824 59.2194 38.1386 172.0191 35 H 4.8785 9.4930 125.8166 54.0164 30.9404 174.7253 36 W 5.4041 8.7576 119.5958 55.3361 32.7519 173.9882 37 Y 5.0248 9.6016 122.6180 56.3859 40.3770 174.8741 38 L 4.7746 9.1177 125.3923 54.3156 45.0478 174.4969 39 H 4.8878 8.1606 123.3172 55.6539 33.8227 173.3795 *43 K 4.3440 8.5978 125.5055 54.1093 33.0613 174.1915 44 A 4.4560 8.5545 126.8365 50.3033 19.1427 175.1798 45 P 4.5565 0.0000 0.0000 62.5603 31.8461 175.9805 46 Q 4.7933 9.2681 122.2944 54.2584 32.1044 174.2590 47 R 3.8450 8.2798 121.8074 55.8183 30.7205 175.8280 48 L 4.1795 9.2556 127.8530 56.6835 42.3687 176.4641 49 L 5.2659 7.3290 116.3650 54.4415 44.6882 173.5864 50 Y 5.2703 8.5828 116.1430 55.5805 41.8122 173.6430 51 Y 5.1196 8.6855 119.9860 56.0624 43.1126 173.3761 52 D 4.3331 8.3476 128.7549 53.0965 42.0529 177.3498 53 S 3.9138 7.7558 123.5839 61.3075 62.4101 172.0336 54 Y 4.4905 8.3796 123.2549 60.2627 39.0114 177.2316 55 T 3.7870 7.9421 110.7539 61.4804 68.9908 178.4759 56 S 4.3431 8.4104 119.3701 58.5253 62.4726 170.1396 57 S 4.0567 7.4479 117.2850 58.9196 62.8469 178.8615 58 V 4.7242 8.3031 123.3942 60.1262 34.4901 174.6837 59 V 4.1553 8.4440 127.6012 61.1657 33.3302 174.8996 60 L 4.8012 8.4689 127.7656 54.0552 43.0936 176.6396 61 E 4.3295 8.2692 117.3828 56.2670 30.6582 174.9846 *66 P 4.0249 0.0000 0.0000 65.4656 30.4202 175.9773 67 G 3.9621 8.8357 115.5249 45.5171 0.0000 174.6345 68 K 3.9373 7.9249 122.6110 57.5726 32.5509 181.6650 69 Y 5.0815 7.1928 112.3574 56.3580 41.3045 175.4130 70 D 4.8454 8.5234 121.7847 52.7720 44.9028 174.6242 71 T 5.0264 8.2896 115.4762 59.9091 70.3268 175.0158 *78 N 4.6749 8.8872 122.1938 52.6961 39.8195 175.1041 79 L 4.2488 7.9362 119.8700 55.5289 41.1796 180.9174 80 R 4.9836 8.2025 123.7138 55.4886 34.2234 169.5150 81 M 5.5346 8.7389 113.9697 55.5259 36.1837 174.1805 82 I 4.8511 8.0140 125.7447 60.2618 41.2740 174.9262 83 L 4.3539 8.6372 129.4129 54.3625 42.6876 171.9069 84 R 4.1727 8.6096 118.5124 56.2412 31.4280 176.5786 85 N 4.6006 8.4895 131.7661 52.7435 40.2109 174.4714 86 L 4.2939 8.2086 129.5196 55.2039 43.3349 176.9514 87 I 4.7121 8.1836 121.6813 59.1156 39.7660 177.6017 88 E 4.0971 8.9605 117.7204 60.0883 29.4855 179.6396 89 N 4.6492 8.0510 114.6444 54.8119 39.0624 174.6066 90 D 4.7742 8.0448 118.8257 55.9116 41.1615 177.5213 91 S 4.5030 8.0367 116.6633 57.2344 63.1208 179.3715 92 G 3.8868 7.6675 111.7406 45.8786 0.0000 171.8043 93 V 4.7006 7.7674 119.0910 60.0634 34.1259 170.8635 94 Y 5.0368 9.4193 125.7546 56.6302 40.2064 174.8579 *95 Y 5.0758 8.9546 125.7859 55.7400 39.9752 169.5033 96 C 4.4709 8.1254 117.4000 53.3590 40.2282 172.0350 97 A 4.6642 8.0634 119.0296 51.5307 22.5738 175.2709 98 T 4.7477 8.0669 113.3252 60.1630 71.3232 173.2551 99 W 4.4209 8.7085 127.5807 56.4134 29.9467 175.8169 100 D 4.4561 8.8320 125.7605 53.4958 39.5598 178.0338 101 Q 3.9487 8.4529 117.4038 57.2020 28.0595 176.2169 102 N 4.8505 8.0504 111.1236 53.2715 39.4794 174.2571 103 Y 3.5767 7.6966 115.2030 59.2197 35.9882 171.5894 104 Y 4.3240 8.5013 120.8706 59.6322 39.5485 175.0803 105 K 4.5685 8.3630 116.7287 54.7564 36.3000 173.5627 106 K 4.2355 7.4381 121.5098 55.0750 34.3586 176.3099 107 L 4.9927 8.2296 127.1022 53.1531 44.7578 175.4694 108 F 4.8658 9.1800 122.0682 54.6024 41.3193 176.5585 109 G 3.9300 8.4021 116.3569 47.0397 0.0000 175.2697 110 S 4.2068 8.2451 117.9028 61.1105 62.5942 172.5585 111 G 4.0483 8.7092 111.1925 46.3425 0.0000 173.4310 112 T 4.6958 8.9298 120.7492 60.2871 72.2566 170.2694 113 S 5.1047 9.0672 128.5209 57.6665 63.1972 170.6790 114 L 4.9294 9.4686 130.6683 53.3031 43.9542 173.3215 115 V 4.8088 8.2703 121.6237 60.8928 35.9248 174.8637 116 V 5.4451 8.5277 127.0515 58.6860 34.4347 174.1829 117 T 4.6577 7.9287 119.7107 60.3446 69.6266 171.2415 *137 Q 4.2806 7.9416 125.5293 56.0728 30.0151 177.6138 138 K 4.8424 8.8391 128.9285 53.8171 37.0451 172.3722 139 V 4.7830 8.3688 118.3189 62.2981 36.0407 175.5339 140 T 4.5038 9.7161 119.9902 61.1157 71.4040 173.2173 141 Q 5.1855 8.4216 131.6610 53.3188 32.1464 174.6379 *146 V 4.0184 7.8458 114.2414 63.0309 32.5540 174.8376 *154 V 3.9285 8.3570 123.0827 63.7282 33.1755 173.6767 155 T 4.7507 8.4324 122.4801 59.5208 71.6802 170.1856 156 L 4.4166 8.6432 133.4716 53.8052 42.2094 174.4470 157 N 4.9473 8.7356 123.2730 52.0389 39.3109 171.8774 158 C 4.9124 8.1278 115.1089 57.5575 42.7862 173.0606 159 L 5.4713 8.6733 128.8118 53.2988 44.7496 171.4593 160 Y 5.2706 8.0834 120.1649 55.7524 42.1954 174.4069 161 E 4.6210 8.9486 121.6599 55.8144 32.9455 175.5087 162 T 4.5637 8.6487 121.4915 59.0633 71.7118 171.0573 163 S 4.5002 8.1203 121.9193 56.7884 62.4941 170.9979 164 W 5.2460 7.4887 120.2279 55.9251 30.9265 176.8530 165 W 4.1909 9.5291 122.7179 60.3849 28.6670 177.6889 166 S 4.7964 7.8658 114.2057 57.5179 64.4544 174.3096 *167 Y 4.8431 7.3310 117.6231 58.5358 41.1894 172.8919 168 Y 5.0570 8.9021 116.6843 58.6279 43.0953 175.0260 169 I 4.9042 8.3879 122.9648 58.7290 38.6631 173.2089 170 F 5.3249 9.7383 127.5868 55.1842 43.0971 174.8222 *171 W 5.3772 8.5588 122.6642 55.4471 32.1044 174.8014 172 Y 5.0678 9.5081 123.8850 55.8548 42.0754 175.0907 173 K 4.2746 9.0834 127.6990 53.9981 34.6952 177.0386 174 R 4.5226 8.5812 129.1445 54.9108 30.0506 174.0387 175 L 4.3659 8.2785 125.3413 52.1094 41.9134 173.1487 176 P 4.6159 0.0000 0.0000 65.3861 30.5237 178.0062 177 S 4.5464 7.9451 114.3493 57.3375 62.7243 179.7317 178 K 3.8817 8.8967 121.3036 58.9229 29.6108 177.5910 179 E 4.3395 7.2228 114.2283 53.9052 28.1488 177.1887 180 M 4.1519 8.2860 124.8102 56.4285 32.8877 176.1298 181 I 4.6766 8.3758 123.7656 58.2803 38.8833 171.5945 182 F 3.4916 9.2087 131.5644 58.3610 39.6193 173.2644 183 L 3.8891 7.3186 125.0293 55.3309 43.1869 177.3127 184 I 4.4030 6.4525 117.0011 59.6084 40.9270 176.4667 185 R 4.9128 8.6754 124.3350 56.3588 32.8423 176.2832 186 Q 4.4578 8.6686 125.7578 53.2493 29.6515 172.4151 187 G 4.3143 8.7111 111.7483 45.1403 0.0000 173.6017 188 S 4.4045 8.3545 116.8672 60.4970 62.4569 174.7969 189 D 4.8571 8.2856 118.7233 54.6604 42.6479 176.9019 190 E 4.3430 7.9895 114.5907 55.1720 30.5579 181.9983 191 Q 4.1707 8.7888 121.2729 56.6888 29.4458 176.5310 192 N 3.9134 8.4043 117.4083 52.0956 37.4093 173.6163 193 A 4.5463 8.4418 129.5864 51.0121 20.3660 176.4502 194 K 4.5699 8.0757 119.9332 55.3827 35.2451 173.8736 195 S 4.7465 9.0721 114.2951 58.4026 68.1589 179.1255 196 G 4.1092 9.2468 112.5608 46.9495 0.0000 174.3218 197 R 4.4796 9.2141 123.6985 55.7865 32.8730 174.8778 198 Y 4.8293 8.7031 120.5092 57.1719 40.6580 175.8107 199 S 5.1782 8.8011 122.8244 58.8034 67.3204 173.1128 200 V 4.3423 8.1331 113.3710 63.1663 35.1491 168.9568 201 N 4.7887 8.8806 128.1077 51.3629 38.9862 172.8603 *202 F 4.7700 8.7671 129.0658 55.5333 38.6464 172.5205 203 K 4.2847 8.5802 131.8386 53.8894 32.7721 175.7821 204 K 4.3110 8.7898 130.9043 53.9898 29.8371 173.9747 *207 K 3.2107 8.2140 130.5087 53.7194 33.4251 174.9811 208 S 4.5990 8.1386 120.8708 58.0615 65.7336 178.2861 209 V 4.8054 8.2597 127.2503 59.3108 30.7498 173.1541 210 A 4.4077 7.8905 128.4193 52.2300 20.0217 179.7536 211 L 4.2998 8.4792 124.7021 55.6128 43.1867 172.8853 212 T 4.7177 8.3010 114.2277 63.1116 70.3128 174.1871 213 I 4.2603 8.4707 131.4795 60.6114 36.9998 172.6098 214 S 4.4461 7.8464 117.5223 60.5653 64.6529 174.7975 *223 K 4.1452 8.1698 124.9386 56.3365 32.7470 176.4992 224 Y 5.0204 8.3055 122.8322 55.4969 40.7302 175.1757 225 F 5.0077 9.1619 121.5958 55.8528 42.6552 171.4067 226 C 5.3672 9.0128 118.7249 54.0980 41.9866 172.5371 227 A 4.8012 9.6677 127.3283 50.4222 22.6416 175.0225 228 L 5.2692 8.7103 121.8975 53.0982 44.1748 176.5439 229 G 4.7659 9.5554 111.5328 43.1579 0.0000 173.6387 230 E 3.5166 9.3713 127.1194 58.8900 29.7506 177.2648 231 S 4.7173 7.7664 111.5194 56.8366 67.0769 176.2685 232 L 3.7177 8.2578 120.4544 55.4422 40.4094 177.0618 233 T 4.2089 6.4782 112.8547 58.5362 71.0270 177.7868 234 R 3.8955 7.9364 117.6765 58.9796 29.6507 177.4717 235 A 3.8757 7.3768 119.5381 52.5107 19.1043 176.6721 236 D 4.5119 7.7741 119.1851 54.3198 42.2426 176.3759 237 K 4.7678 8.6900 129.5931 54.4419 33.7422 172.8018 238 L 5.1293 8.4616 126.1789 54.6575 42.4066 177.2674 239 I 4.6685 9.2418 123.3778 59.9151 37.8651 171.8044 240 F 4.9118 8.6677 118.0732 56.8120 42.1242 175.7504 241 G 4.0398 8.7895 114.1890 46.7458 0.0000 174.4339 242 K 4.7488 8.5522 120.1079 54.6611 32.2270 173.6900 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 13 I 8.02 4.57 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 1.34 1.21 0.91 0.00 0.00 14 R 9.25 4.52 0.00 1.70 1.78 0.00 3.07 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 15 Q 8.60 5.00 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.02 0.00 0.00 0.00 0.00 0.00 2.28 1.77 0.00 16 T 8.31 4.21 4.38 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 1.21 0.00 0.00 17 G 8.67 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 18 S 7.65 4.82 0.00 3.83 3.92 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 19 S 8.41 5.29 0.00 3.40 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 20 A 8.36 4.53 1.14 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 21 E 8.89 4.66 0.00 2.20 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 2.24 1.87 0.00 22 I 8.92 4.62 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 1.28 0.69 0.91 0.00 0.00 23 T 8.61 4.83 4.32 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 1.25 0.00 0.00 24 C 8.66 4.44 0.00 3.14 3.25 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 25 D 8.69 4.81 0.00 2.41 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 26 L 7.93 4.71 0.00 1.59 0.45 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 *32 G 9.13 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 0.00 0.00 0.00 0.00 33 Y 8.55 4.82 0.00 2.87 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 34 I 8.87 4.63 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 1.23 0.85 0.91 0.00 0.00 35 H 9.49 4.88 0.00 2.98 3.26 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.76 5.40 0.00 3.12 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 37 Y 9.60 5.02 0.00 2.71 2.76 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 38 L 9.12 4.77 0.00 1.68 1.46 0.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.16 4.89 0.00 2.95 2.90 0.00 5.86 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 K 8.60 4.34 0.00 1.84 1.64 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 44 A 8.55 4.46 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 45 P 0.00 4.56 0.00 0.61 1.25 0.00 3.42 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.64 0.00 46 Q 9.27 4.79 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 47 R 8.28 3.84 0.00 0.67 1.05 0.00 3.48 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 48 L 9.26 4.18 0.00 1.48 1.32 0.98 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.33 5.27 0.00 1.74 1.67 0.57 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.58 5.27 0.00 2.84 3.06 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 51 Y 8.69 5.12 0.00 3.01 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 52 D 8.35 4.33 0.00 2.12 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 0.00 0.00 0.00 0.00 53 S 7.76 3.91 0.00 3.77 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 54 Y 8.38 4.49 0.00 2.79 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 55 T 7.94 3.79 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 56 S 8.41 4.34 0.00 3.90 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 0.00 57 S 7.45 4.06 0.00 3.41 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 58 V 8.30 4.72 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 1.01 0.00 0.00 1.06 0.00 0.00 59 V 8.44 4.16 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 0.93 0.00 0.00 0.37 0.00 0.00 60 L 8.47 4.80 0.00 1.58 1.62 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.27 4.33 0.00 2.17 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 2.32 2.49 0.00 *66 P 0.00 4.02 0.00 2.05 2.08 0.00 3.63 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 1.92 2.10 0.00 67 G 8.84 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 K 7.92 3.94 0.00 1.46 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.45 1.06 7.81 69 Y 7.19 5.08 0.00 2.69 2.56 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 70 D 8.52 4.85 0.00 2.61 2.39 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 71 T 8.29 5.03 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 6.68 7.66 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 0.00 158 C 8.13 4.91 0.00 3.00 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 0.00 159 L 8.67 5.47 0.00 1.34 1.46 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 160 Y 8.08 5.27 0.00 3.19 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 0.00 161 E 8.95 4.62 0.00 1.63 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 2.12 2.09 0.00 162 T 8.65 4.56 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 0.00 163 S 8.12 4.50 0.00 3.62 3.75 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 0.00 164 W 7.49 5.25 0.00 3.56 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 0.00 165 W 9.53 4.19 0.00 3.22 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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182 F 9.21 3.49 0.00 2.79 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 0.00 183 L 7.32 3.89 0.00 1.41 1.36 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 184 I 6.45 4.40 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 1.20 0.50 0.91 0.00 0.00 185 R 8.68 4.91 0.00 1.53 1.68 0.00 3.22 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 186 Q 8.67 4.46 0.00 1.75 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 187 G 8.71 4.31 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 0.00 188 S 8.35 4.40 0.00 3.76 3.71 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 0.00 189 D 8.29 4.86 0.00 2.69 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 0.00 190 E 7.99 4.34 0.00 1.99 1.73 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 2.23 1.90 0.00 191 Q 8.79 4.17 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 192 N 8.40 3.91 0.00 2.75 2.63 0.00 0.00 6.69 7.46 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 0.00 193 A 8.44 4.55 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 0.00 194 K 8.08 4.57 0.00 1.72 1.52 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.19 0.92 7.81 195 S 9.07 4.75 0.00 3.60 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 0.00 196 G 9.25 4.11 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 0.00 0.00 0.00 197 R 9.21 4.48 0.00 1.06 1.65 0.00 2.93 0.00 0.00 3.22 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 198 Y 8.70 4.83 0.00 2.78 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 0.00 199 S 8.80 5.18 0.00 3.32 3.71 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 0.00 200 V 8.13 4.34 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 0.75 0.00 0.00 0.93 0.00 0.00 201 N 8.88 4.79 0.00 2.45 2.65 0.00 0.00 6.84 7.30 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 *202 F 8.77 4.77 0.00 2.04 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 0.00 0.00 0.00 203 K 8.58 4.28 0.00 1.43 1.74 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.26 7.81 204 K 8.79 4.31 0.00 1.77 1.68 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *207 K 8.21 3.21 0.00 1.70 1.85 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 0.97 7.81 208 S 8.14 4.60 0.00 3.31 3.71 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 0.00 209 V 8.26 4.81 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 0.87 0.00 0.00 0.93 0.00 0.00 210 A 7.89 4.41 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 0.00 211 L 8.48 4.30 0.00 1.36 1.57 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 212 T 8.30 4.72 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 1.18 0.00 0.00 213 I 8.47 4.26 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 1.20 0.80 0.91 0.00 0.00 214 S 7.85 4.45 0.00 3.33 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 *223 K 8.17 4.15 0.00 1.47 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.05 7.81 224 Y 8.31 5.02 0.00 2.71 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 0.00 225 F 9.16 5.01 0.00 3.08 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 0.00 226 C 9.01 5.37 0.00 3.04 3.27 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 0.00 227 A 9.67 4.80 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 L 8.71 5.27 0.00 1.33 1.52 0.92 0.89 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 0.00 229 G 9.56 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 E 9.37 3.52 0.00 1.16 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.87 0.00 231 S 7.77 4.72 0.00 3.55 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 0.00 232 L 8.26 3.72 0.00 1.73 1.36 0.92 0.77 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 0.00 233 T 6.48 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 0.00 234 R 7.94 3.90 0.00 1.77 2.17 0.00 2.75 0.00 0.00 2.98 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 235 A 7.38 3.88 1.14 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 0.00 236 D 7.77 4.51 0.00 2.64 2.87 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 0.00 237 K 8.69 4.77 0.00 1.49 1.66 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.80 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.41 1.00 7.81 238 L 8.46 5.13 0.00 1.63 1.76 1.20 0.51 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 0.00 239 I 9.24 4.67 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 1.23 0.72 0.91 0.00 0.00 240 F 8.67 4.91 0.00 3.06 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 0.00 241 G 8.79 4.04 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 0.00 0.00 0.00 242 K 8.55 4.75 0.00 1.77 1.56 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 0.97 7.81 * Residues marked with a * may have inaccurate shift predictions.