NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 I 4.8012 7.9716 120.8436 61.0839 38.7372 173.2922 *22 K 4.3269 8.2499 121.3687 57.1883 33.4595 175.4624 23 I 4.8907 8.9567 128.1561 59.5266 40.7371 174.5113 24 L 5.0906 8.8994 126.2932 52.9396 44.7450 175.3530 25 L 5.1307 8.3069 122.6783 53.2514 43.3653 176.0527 26 I 4.3098 10.0600 124.9944 58.6175 41.0853 175.6106 27 G 3.7225 7.1609 112.8385 43.7266 0.0000 171.9987 28 D 4.8364 8.0879 119.4545 54.0466 41.4192 176.5231 29 S 4.2845 8.4809 116.2969 59.7695 62.9040 174.7383 30 G 4.0593 8.9381 114.6555 45.5321 0.0000 174.6009 31 V 3.7990 7.1330 110.9964 62.2572 32.0922 176.9746 32 G 4.3267 8.4053 109.5347 45.7134 0.0000 176.0821 33 K 3.9806 8.5255 120.9088 59.4567 32.0062 179.2151 34 S 4.3961 7.9354 116.1826 61.3554 62.8314 176.4413 35 C 4.2689 8.1236 118.8832 62.5718 27.8973 176.0186 36 L 4.1561 8.0777 121.0231 57.5699 41.2728 179.1596 37 L 4.0670 8.0399 120.2173 58.1531 42.0935 179.1758 38 V 3.5998 8.2016 118.6098 66.0013 31.4156 177.9302 39 R 4.1154 8.1639 118.5293 59.4655 29.7017 178.3069 40 F 4.3223 8.1844 119.5576 61.0758 39.4335 176.7541 41 V 3.5196 7.6418 116.3847 64.3855 31.7774 176.3271 42 E 4.3618 8.4277 114.9417 55.2077 30.5274 174.9790 43 D 5.1314 7.8891 116.6316 53.9690 39.7745 172.7869 44 K 4.7635 7.8124 113.8467 54.4451 36.3424 176.0808 45 F 4.6707 8.6805 122.0438 56.4969 41.6054 173.5796 46 N 4.5329 7.9852 126.4054 50.9005 40.2848 173.0900 47 P 4.0845 0.0000 0.0000 62.4255 30.8072 177.1329 *55 I 3.9596 7.6269 120.1411 61.2197 39.3703 177.1109 56 D 4.9427 7.2227 116.8401 53.8692 41.9533 175.6580 57 F 5.1464 6.7351 112.3644 55.4739 40.8375 173.5184 58 K 4.8037 9.1958 118.7856 54.7565 36.3579 175.1157 59 I 5.0845 8.2148 121.5842 59.7052 40.4352 175.3480 60 K 4.3982 8.6122 126.2573 55.5721 35.9039 174.5650 61 T 4.8437 8.5013 124.5513 62.6307 69.4759 174.3671 62 V 4.3810 9.0782 126.6669 61.1595 34.9089 174.0934 63 D 5.8500 9.1146 124.6272 52.0063 42.0853 175.1687 64 I 4.6972 8.1049 119.1405 59.5225 40.5278 174.8648 65 N 4.2378 9.9045 116.3207 53.8669 36.1670 174.1720 66 G 3.9196 8.4778 102.9000 47.4285 0.0000 173.8784 67 K 4.5949 8.4219 119.2463 54.3584 36.4219 175.5714 68 K 4.8306 8.6593 124.7594 55.4683 31.7051 175.1522 69 V 4.0056 8.7657 125.6086 61.6022 33.3477 174.2813 70 K 4.5495 8.6024 129.4715 55.4586 33.8404 174.8171 71 L 4.7373 9.0266 128.6065 53.5269 43.6683 175.4590 72 Q 4.3589 8.7160 125.7148 54.7558 30.4173 173.8258 73 I 4.9109 8.7162 129.1743 59.8390 38.8939 175.0312 74 W 5.2183 9.5692 128.3477 55.5016 31.1226 175.2822 75 D 4.9445 9.7213 124.2486 53.1269 44.1023 174.1207 76 T 4.6524 8.6016 115.4698 59.3674 71.2621 173.8124 77 A 4.2672 8.6700 126.9806 51.6047 19.4080 178.7651 78 G 3.7204 8.5448 107.6482 49.0753 0.0000 175.8524 79 Q 4.2312 8.0839 117.3017 57.2328 28.8298 176.5388 80 E 4.3630 7.7819 118.4519 56.1255 30.2423 177.5182 81 R 3.8454 8.4861 122.7544 59.3149 30.1836 178.4587 82 F 4.4018 8.4620 111.2504 59.8202 37.9503 176.3922 83 R 3.7204 6.6734 121.2640 58.7874 29.8815 177.4857 84 T 3.4671 7.7919 110.7189 62.8140 67.2072 174.2601 85 I 4.4840 7.5039 112.4001 61.4385 38.4315 175.6517 86 T 4.3898 7.5452 111.5986 61.2431 69.4340 175.0252 87 T 4.2068 8.4677 111.7969 64.2490 69.6492 176.7896 88 A 3.8012 8.0683 124.9791 54.7874 18.8493 178.7410 89 Y 3.8278 7.6541 115.2967 60.6279 38.9202 176.2765 90 Y 4.0336 7.7220 115.1959 57.6405 38.3156 174.9870 91 R 3.8515 7.3134 121.7344 57.6883 30.2119 176.3652 92 G 3.8551 8.9017 114.3030 45.3590 0.0000 172.9039 93 A 4.3148 6.3848 121.3784 51.4288 19.0904 176.5983 *95 G 3.8285 8.2539 105.1961 46.3983 0.0000 172.3287 96 I 5.0558 8.7090 124.3262 59.7084 41.3951 174.1657 97 I 4.7104 9.0080 129.1816 59.8134 39.1067 174.7512 98 L 4.9942 9.1043 128.1385 53.2774 43.2874 175.7224 99 V 5.0743 8.6700 124.7984 61.2035 33.5681 174.0007 100 Y 5.0935 8.5590 123.9304 55.4335 42.5457 173.1881 101 D 5.3630 9.2041 120.2113 52.5448 42.4490 177.2609 102 I 4.0640 8.8871 120.5975 63.1456 37.7615 177.2007 103 T 4.4264 8.6574 110.6941 61.5027 69.2985 174.3838 104 D 4.6701 8.1125 122.3075 51.5092 42.2465 174.8283 105 E 4.0286 8.9696 127.4128 59.4327 29.4620 178.2901 106 R 3.9456 7.9899 118.5686 59.7766 29.9405 178.6570 107 T 4.6295 7.9053 109.1972 64.1475 68.9750 176.0788 108 F 4.1638 8.1636 123.2968 61.4096 39.6453 177.1929 109 T 3.6585 8.2498 115.6502 66.6088 68.3076 175.9732 110 N 4.5950 8.4382 117.1561 54.9470 38.4417 177.1778 111 I 4.0170 7.5912 122.4615 64.4171 37.1561 178.2225 112 K 3.9967 7.5895 117.9352 59.5608 31.7515 179.4351 113 Q 3.9420 7.9306 117.8292 58.6643 28.6361 178.5179 114 W 4.3215 8.0605 119.9956 59.8134 29.1143 178.2345 115 F 4.2560 8.8962 121.0586 61.1992 38.7722 177.1556 116 K 3.8606 8.1451 119.1779 59.7977 32.0716 178.9462 117 T 3.8523 8.1078 116.2117 66.6477 68.3156 176.8265 118 V 3.1707 8.1626 120.4754 66.0227 31.3556 177.9197 119 N 4.1041 7.7560 115.0398 55.8247 38.3554 176.6506 120 E 4.1481 7.8719 118.4979 57.5280 29.9452 176.7096 121 H 4.5462 7.7910 113.2731 55.0725 30.3421 173.3278 122 A 4.7116 7.4528 122.0569 49.8266 21.6155 175.5359 123 N 4.6006 8.2832 115.8951 52.8117 39.2732 176.5366 124 D 4.3416 8.6650 121.7699 57.2538 41.4335 177.0457 125 E 4.1571 8.0509 115.9925 57.1963 30.0020 176.7268 126 A 4.0518 7.6377 123.0836 52.1233 19.0616 176.4311 127 Q 4.4669 8.5982 123.8483 55.1707 30.5454 174.6988 128 L 5.7234 8.4484 125.6132 52.9151 44.6126 175.5368 129 L 4.6286 8.1663 121.3061 53.8922 45.9190 173.6546 130 L 5.2081 9.1127 128.6111 53.6676 44.3002 175.0177 131 V 4.6153 9.1259 126.3948 60.9868 34.7312 174.1997 132 G 3.3243 8.4284 115.6676 44.5763 0.0000 172.4539 133 N 5.0775 8.6704 125.8263 52.0586 41.9090 174.1677 134 K 4.2246 8.6292 116.8856 57.9354 28.6124 178.2072 135 S 4.1882 8.0710 113.4746 60.0053 64.0220 174.2340 136 D 4.5177 7.3616 123.2642 52.9689 37.9406 177.3608 *138 E 4.3650 7.8531 118.6137 57.1251 31.9205 177.7470 139 T 4.4433 7.8433 107.8152 61.3729 68.9683 174.6885 140 R 4.1388 7.3109 120.9026 57.6101 30.3209 176.6456 141 V 4.3546 8.8074 115.2155 60.3240 33.7799 175.6481 142 V 4.2487 7.6633 119.9059 60.9490 32.9540 175.8420 143 T 4.2699 8.6148 118.1514 61.0072 71.0380 175.5526 144 A 4.6988 8.3588 124.8449 55.0684 18.4541 179.7760 145 D 4.3003 8.0596 116.9616 57.5528 40.9104 178.9016 146 Q 4.0428 8.0438 118.6484 58.8429 28.7083 179.0263 147 G 3.3686 7.6169 107.8591 47.1909 0.0000 175.5854 148 E 3.5142 7.9239 121.2305 58.7580 29.3395 179.4175 149 A 3.9176 7.9304 120.8680 54.9713 18.3776 179.4661 150 L 3.7408 7.9980 118.6936 58.0636 42.1326 178.9166 151 A 3.9300 7.8904 120.7484 55.0415 18.4499 179.4531 152 K 3.8156 7.9662 118.0071 59.6855 32.0624 178.4917 153 E 3.8722 7.9999 118.2916 59.2782 29.6387 178.3450 154 L 3.8540 7.9406 117.2034 54.7667 41.8470 177.2056 155 G 3.8664 7.8446 106.6788 46.3661 0.0000 173.1364 156 I 4.9290 7.6680 111.3633 57.5778 41.0341 173.2470 157 P 4.6346 0.0000 0.0000 63.0756 32.6639 174.6842 158 F 5.5630 8.5991 121.9223 56.7900 42.6488 173.9228 159 I 4.2469 7.8922 124.9366 59.6122 42.0282 173.6254 160 E 4.8526 8.2600 125.4121 54.7332 31.9793 175.1208 161 S 5.1748 8.9938 117.8447 57.0054 67.7752 173.0793 162 S 4.6255 8.7560 114.2582 57.1360 64.0045 174.3236 163 A 3.9737 8.6968 131.4033 54.9392 18.6699 179.6554 164 K 2.0000 7.6341 115.9137 58.8805 32.1312 177.2318 165 N 4.5375 7.8275 112.5547 52.1115 38.9126 174.4264 166 D 4.2458 7.2236 115.2402 55.4343 40.1959 173.4221 167 D 4.6828 8.2064 118.5558 53.4777 41.2472 175.3456 168 N 4.0787 8.8629 122.1936 54.4099 36.5821 176.5632 169 V 3.7419 7.7948 119.5510 66.3353 31.6719 177.6627 170 N 4.7458 8.3151 115.8229 56.4025 38.4029 176.7286 171 E 3.9945 7.8051 119.7782 59.2306 29.6161 178.8186 172 I 3.4577 7.4067 119.9432 64.5954 37.0764 178.4530 173 F 3.9849 7.6164 117.7443 60.4100 38.7299 177.8137 174 F 3.9924 8.7004 117.6899 60.5263 38.7150 177.9776 175 T 3.8789 8.2413 115.6079 66.5925 68.3400 176.4467 176 L 3.9030 7.8197 121.9293 58.1399 42.1308 178.8000 177 A 4.0137 8.2685 120.9466 55.1151 18.2324 179.8190 178 K 3.9944 8.1662 117.0293 59.5995 32.2626 179.6217 179 L 4.0585 7.9324 119.2554 57.8359 41.5301 179.6903 180 I 3.7513 7.9175 119.8389 64.1895 36.9443 178.3202 181 Q 3.9098 8.2016 120.3432 59.3962 28.9965 177.7143 182 E 3.9218 8.5198 120.0561 59.5424 29.2693 179.5970 183 K 3.9124 7.7094 117.7852 59.6797 32.4492 178.4048 184 I 3.8317 7.5253 118.5643 64.7856 37.1443 177.8035 185 D 4.5215 8.1794 118.1348 56.5079 40.8414 177.0184 186 S 4.3884 7.9637 117.8123 58.6405 62.5371 173.4590 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 20 I 7.97 4.80 1.85 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 1.42 0.87 0.00 0.00 *22 K 8.25 4.33 0.00 1.81 1.79 0.00 1.37 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.40 7.81 23 I 8.96 4.89 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.55 1.02 0.00 0.00 24 L 8.90 5.09 0.00 1.55 1.52 0.40 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.31 5.13 0.00 1.53 1.61 1.16 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 26 I 10.06 4.31 1.76 0.00 0.00 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 1.14 0.86 0.29 0.00 0.00 27 G 7.16 3.72 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 0.00 0.00 0.00 28 D 8.09 4.84 0.00 2.91 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 29 S 8.48 4.28 0.00 3.90 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 30 G 8.94 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 31 V 7.13 3.80 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 0.86 0.00 0.00 1.08 0.00 0.00 32 G 8.41 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 0.00 0.00 0.00 0.00 33 K 8.53 3.98 0.00 1.82 2.00 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.51 7.81 34 S 7.94 4.40 0.00 3.88 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 35 C 8.12 4.27 0.00 3.24 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.08 4.16 0.00 1.98 1.89 0.90 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.04 4.07 0.00 1.92 1.90 0.95 0.88 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 38 V 8.20 3.60 2.13 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 0.94 0.00 0.00 0.96 0.00 0.00 39 R 8.16 4.12 0.00 2.17 2.27 0.00 3.57 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 40 F 8.18 4.32 0.00 2.98 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 41 V 7.64 3.52 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 0.75 0.00 0.00 0.82 0.00 0.00 42 E 8.43 4.36 0.00 1.99 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 2.19 2.16 0.00 43 D 7.89 5.13 0.00 2.72 2.66 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 44 K 7.81 4.76 0.00 1.74 1.66 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.62 7.81 45 F 8.68 4.67 0.00 2.90 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 46 N 7.99 4.53 0.00 2.54 2.50 0.00 0.00 7.24 7.69 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 47 P 0.00 4.08 0.00 2.02 2.05 0.00 3.61 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 *55 I 7.63 3.96 1.68 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.63 0.82 0.00 0.00 56 D 7.22 4.94 0.00 2.53 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 6.74 5.15 0.00 2.24 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 58 K 9.20 4.80 0.00 1.65 1.64 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.31 7.81 59 I 8.21 5.08 1.88 0.00 0.00 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 1.24 0.47 0.89 0.00 0.00 60 K 8.61 4.40 0.00 1.56 1.44 0.00 0.86 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.08 1.17 7.81 61 T 8.50 4.84 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 1.20 0.00 0.00 62 V 9.08 4.38 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 0.59 0.00 0.00 0.63 0.00 0.00 63 D 9.11 5.85 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.10 4.70 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 1.49 0.76 0.98 0.00 0.00 65 N 9.90 4.24 0.00 2.92 2.97 0.00 0.00 6.08 7.00 0.00 0.00 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 G 8.48 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 0.00 0.00 0.00 67 K 8.42 4.59 0.00 1.74 1.83 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.41 7.81 68 K 8.66 4.83 0.00 1.68 1.77 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.70 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.38 7.81 69 V 8.77 4.01 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 0.89 0.00 0.00 0.93 0.00 0.00 70 K 8.60 4.55 0.00 1.86 1.64 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.44 7.81 71 L 9.03 4.74 0.00 1.70 1.62 0.99 0.49 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 72 Q 8.72 4.36 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.91 0.00 0.00 0.00 0.00 0.00 1.95 1.70 0.00 73 I 8.72 4.91 1.93 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 1.33 0.66 1.08 0.00 0.00 74 W 9.57 5.22 0.00 3.15 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 75 D 9.72 4.94 0.00 2.73 2.50 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 76 T 8.60 4.65 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 1.28 0.00 0.00 77 A 8.67 4.27 1.34 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 0.00 0.00 0.00 78 G 8.54 3.72 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 0.00 0.00 0.00 79 Q 8.08 4.23 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 80 E 7.78 4.36 0.00 2.09 1.74 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 2.27 2.25 0.00 81 R 8.49 3.85 0.00 2.04 2.04 0.00 3.29 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 82 F 8.46 4.40 0.00 3.19 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 83 R 6.67 3.72 0.00 0.77 1.51 0.00 2.89 0.00 0.00 2.84 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.40 0.00 84 T 7.79 3.47 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 1.50 0.00 0.00 85 I 7.50 4.48 1.87 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 1.72 0.85 1.01 0.00 0.00 86 T 7.55 4.39 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 1.28 0.00 0.00 87 T 8.47 4.21 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 1.34 0.00 0.00 88 A 8.07 3.80 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 89 Y 7.65 3.83 0.00 2.93 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 90 Y 7.72 4.03 0.00 3.12 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.31 3.85 0.00 1.74 1.83 0.00 3.25 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 92 G 8.90 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 0.00 0.00 0.00 93 A 6.38 4.31 1.12 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 0.00 0.00 *95 G 8.25 3.83 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 0.00 0.00 0.00 96 I 8.71 5.06 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 1.04 0.00 0.00 97 I 9.01 4.71 1.80 0.00 0.00 0.43 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 0.62 0.76 0.00 0.00 98 L 9.10 4.99 0.00 1.72 1.73 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.67 5.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.87 0.00 0.00 100 Y 8.56 5.09 0.00 3.19 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 0.00 101 D 9.20 5.36 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.89 4.06 1.92 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 1.61 0.96 0.87 0.00 0.00 103 T 8.66 4.43 4.36 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 1.23 0.00 0.00 104 D 8.11 4.67 0.00 2.73 2.66 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 0.00 105 E 8.97 4.03 0.00 2.16 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 2.44 2.54 0.00 106 R 7.99 3.95 0.00 1.95 2.20 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 107 T 7.91 4.63 4.47 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 1.46 0.00 0.00 108 F 8.16 4.16 0.00 2.88 3.22 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 0.00 109 T 8.25 3.66 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 1.17 0.00 0.00 110 N 8.44 4.60 0.00 2.89 2.89 0.00 0.00 7.02 6.87 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 0.00 111 I 7.59 4.02 1.73 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.97 0.94 0.00 0.00 112 K 7.59 4.00 0.00 1.78 1.83 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.29 7.81 113 Q 7.93 3.94 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 114 W 8.06 4.32 0.00 3.71 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.90 4.26 0.00 3.22 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 0.00 116 K 8.15 3.86 0.00 2.02 1.97 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.46 7.81 117 T 8.11 3.85 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 1.26 0.00 0.00 118 V 8.16 3.17 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 1.08 0.00 0.00 1.20 0.00 0.00 119 N 7.76 4.10 0.00 2.46 2.62 0.00 0.00 7.09 7.27 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 0.00 120 E 7.87 4.15 0.00 1.90 1.81 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 2.21 2.33 0.00 121 H 7.79 4.55 0.00 2.67 3.07 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.45 4.71 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 0.00 123 N 8.28 4.60 0.00 2.75 2.72 0.00 0.00 6.45 8.08 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 0.00 124 D 8.66 4.34 0.00 2.60 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.05 4.16 0.00 1.99 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 2.30 2.24 0.00 126 A 7.64 4.05 1.34 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 0.00 0.00 0.00 127 Q 8.60 4.47 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 128 L 8.45 5.72 0.00 1.68 1.72 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.17 4.63 0.00 1.71 1.41 0.92 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 130 L 9.11 5.21 0.00 1.98 1.96 1.33 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 131 V 9.13 4.62 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 0.70 0.00 0.00 0.75 0.00 0.00 132 G 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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 1.02 0.00 0.00 142 V 7.66 4.25 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 -0.09 0.00 0.00 0.74 0.00 0.00 143 T 8.61 4.27 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 1.18 0.00 0.00 144 A 8.36 4.70 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 0.00 145 D 8.06 4.30 0.00 2.67 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 0.00 146 Q 8.04 4.04 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 147 G 7.62 3.37 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 0.00 148 E 7.92 3.51 0.00 2.05 1.96 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 2.53 2.52 0.00 149 A 7.93 3.92 1.35 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 2.11 1.99 0.00 158 F 8.60 5.56 0.00 2.98 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 0.00 159 I 7.89 4.25 1.61 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.54 0.70 0.00 0.00 160 E 8.26 4.85 0.00 1.74 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 2.25 2.18 0.00 161 S 8.99 5.17 0.00 3.78 3.79 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 0.00 162 S 8.76 4.63 0.00 3.80 3.64 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 0.00 163 A 8.70 3.97 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 0.00 164 K 7.63 2.00 0.00 0.79 1.54 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.07 0.72 7.81 165 N 7.83 4.54 0.00 2.66 2.74 0.00 0.00 7.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 D 7.22 4.25 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.21 4.68 0.00 2.63 2.44 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 0.00 168 N 8.86 4.08 0.00 2.98 2.77 0.00 0.00 6.75 7.68 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 0.00 169 V 7.79 3.74 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 1.37 0.00 0.00 0.98 0.00 0.00 170 N 8.32 4.75 0.00 2.89 3.19 0.00 0.00 6.71 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 0.00 171 E 7.81 3.99 0.00 2.04 2.11 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 2.27 2.35 0.00 172 I 7.41 3.46 1.44 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.08 0.00 0.00 173 F 7.62 3.98 0.00 2.30 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 0.00 174 F 8.70 3.99 0.00 3.18 3.17 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 0.00 175 T 8.24 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 0.00 176 L 7.82 3.90 0.00 1.76 1.72 0.96 0.98 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 0.00 177 A 8.27 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 K 8.17 3.99 0.00 2.02 1.91 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.54 1.84 7.81 179 L 7.93 4.06 0.00 1.88 1.73 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 180 I 7.92 3.75 2.02 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 1.41 1.09 0.91 0.00 0.00 181 Q 8.20 3.91 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 182 E 8.52 3.92 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 2.36 2.63 0.00 183 K 7.71 3.91 0.00 2.07 1.92 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.30 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 184 I 7.53 3.83 2.01 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 1.52 0.93 0.91 0.00 0.00 185 D 8.18 4.52 0.00 2.65 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 0.00 186 S 7.96 4.39 0.00 4.08 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 * Residues marked with a * may have inaccurate shift predictions.