NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.9247 8.2348 116.4996 57.1979 65.0624 174.8482 4 P 4.1957 0.0000 0.0000 66.4123 32.1022 177.5647 5 R 3.9483 8.0451 116.5143 59.4737 30.3165 180.3031 6 T 3.7547 7.8910 109.9164 64.3161 69.8508 177.6358 7 R 3.8367 8.2230 127.1634 62.0276 29.4669 183.9393 8 K 4.0244 8.0967 124.2719 59.8607 31.5138 180.8977 9 V 3.7620 7.1073 118.2101 65.8534 31.4146 178.1474 10 L 4.2222 7.7631 120.9876 58.1934 41.3919 180.3116 11 K 4.0672 8.1709 126.1630 60.3846 31.4391 181.9086 12 E 4.1282 7.7032 118.2656 61.2669 29.6517 181.1476 13 V 4.0645 7.7876 120.3159 66.2392 31.8429 178.7018 14 R 3.0946 8.7592 123.8790 61.6546 28.9338 182.1908 15 V 4.2574 7.8178 117.2756 64.1432 32.4350 178.3111 16 Q 4.8066 8.5135 122.9578 57.4304 29.5060 178.3122 17 D 4.7644 8.5911 119.6823 54.7462 38.4125 173.1125 18 E 4.1148 8.5335 124.3562 56.9887 27.1267 176.0519 19 N 4.4976 7.6309 113.6605 54.2169 38.9608 175.3426 20 N 4.8008 7.8932 116.4651 52.9338 39.2678 173.7867 21 V 5.0294 7.1808 107.5321 58.8603 35.1329 175.2007 22 C 4.5288 9.3271 124.5966 59.4668 31.8670 174.4380 23 F 4.3358 9.0813 129.8605 61.3135 39.3708 176.1422 24 E 4.1427 8.4870 118.8790 58.4272 29.7157 176.8710 25 C 4.5787 8.0288 108.8298 57.1427 30.8798 174.7497 26 G 3.7922 8.6000 108.9896 45.0881 0.0000 173.8761 27 A 3.7539 7.5847 122.7076 52.2489 18.9051 177.1913 28 F 4.9072 8.2057 119.9687 58.4330 40.2000 175.0034 29 N 4.9798 9.2085 120.5042 52.3915 37.4023 173.0337 30 P 4.4486 0.0000 0.0000 64.3069 31.9173 176.2371 31 Q 4.6981 9.0997 118.5363 55.6444 30.6415 174.6150 32 W 5.3407 8.8443 119.0099 54.9760 34.0598 174.4764 33 V 4.8369 8.7913 113.0158 59.9408 36.2779 175.0375 34 S 4.6624 8.7508 118.3282 56.7750 63.0629 174.8659 35 V 3.6062 9.0518 128.8266 66.8294 31.6127 178.8029 36 T 3.5029 7.4310 114.6198 66.2586 68.2224 173.8852 37 Y 4.5950 7.8444 116.0865 56.7437 38.9009 176.1342 38 G 4.0033 8.3226 108.1869 46.3870 0.0000 173.2709 39 I 4.9230 7.5087 111.7409 58.8319 40.7699 174.0572 40 W 5.3043 9.6013 124.0880 55.1534 31.3580 175.1237 41 I 5.2117 9.3791 118.1727 59.1935 41.1573 174.3368 42 C 5.0551 8.7167 119.7451 57.6412 31.7631 175.1569 43 L 3.5749 9.0573 122.8479 59.8345 40.3534 179.4913 44 E 4.0723 8.0623 119.6084 59.4177 29.7438 178.6408 45 C 4.2627 8.0335 116.3567 62.3508 28.1834 175.9984 46 S 4.0219 8.2173 116.7631 61.2350 62.1207 176.5377 47 G 3.6035 7.1010 108.3585 47.7174 0.0000 175.4019 48 R 4.0495 7.7320 120.3271 59.1652 30.0850 178.9926 49 H 4.0137 8.6872 116.3152 58.6192 28.4162 177.8136 50 R 4.1255 7.7506 118.8701 57.9066 29.9674 177.9943 51 G 3.9000 7.4893 103.4736 44.8552 0.0000 174.5240 52 L 4.1055 7.5505 121.5217 56.0167 42.3469 178.0232 53 G 4.1440 8.2638 106.5751 44.6796 0.0000 174.9913 54 V 3.9945 8.9017 121.8342 63.9427 31.5398 178.0500 55 H 4.4188 8.4031 115.0300 57.4262 28.6439 175.8409 56 L 4.5436 6.8666 116.5672 55.5265 43.2291 176.9962 57 S 4.3587 8.4944 113.7094 57.0545 65.3810 172.3210 58 F 4.7424 9.1666 131.7898 56.8226 40.0126 174.0075 59 V 4.6167 7.7066 126.3145 61.4779 32.5276 174.8631 60 R 4.6747 8.5221 125.6943 54.3841 34.3221 174.1702 61 S 4.2861 8.1617 114.4827 56.2130 64.0583 174.0776 62 V 3.9172 7.7036 127.4707 63.2157 29.9660 173.9964 *67 W 4.5981 8.1035 123.5811 55.9624 30.5504 175.1049 68 K 4.7019 8.8770 122.4232 54.5964 33.9588 176.9174 69 D 4.4420 8.9617 122.8817 58.0154 40.7660 179.5063 70 I 3.6808 7.7371 117.9328 63.8229 37.8234 177.6503 71 E 4.0011 8.3259 119.9718 59.2967 29.2605 179.1550 72 L 4.0737 8.0977 118.6457 57.8660 41.7619 179.1876 73 E 3.9811 8.5123 118.6943 59.3540 29.3527 179.6022 74 K 4.0256 8.0542 118.6293 59.4706 31.8117 179.3594 75 M 4.2249 7.7706 121.0148 58.8694 31.9472 179.2411 76 K 4.2322 8.1838 123.0212 59.6266 31.9535 180.9846 77 A 4.4345 7.9532 121.0783 55.9525 18.8062 177.4669 78 G 4.3265 8.5494 106.4441 46.4043 0.0000 173.0797 79 G 4.6926 7.6126 110.5104 44.5628 0.0000 173.1644 80 N 4.5219 8.5765 117.6332 56.3555 38.6053 177.6693 81 A 4.2918 8.0508 122.8078 54.5892 18.5297 179.4718 82 K 3.9867 8.2399 117.5618 59.7076 32.2494 178.5587 83 F 3.5751 8.7592 121.1333 61.1736 39.3051 176.9223 84 R 3.8234 8.5054 120.8300 60.0849 29.6019 178.8669 85 E 3.9339 8.5089 117.3176 61.0168 30.0152 180.4267 86 F 4.4421 8.4073 122.0354 61.2038 39.4264 176.9388 87 L 3.7865 8.0558 118.7399 58.0608 41.2435 179.5815 88 E 2.8690 7.5638 116.7821 58.0152 29.3441 178.4441 89 S 4.3809 7.2827 112.2528 57.5185 64.2177 174.1080 90 Q 4.2302 7.1095 123.5189 55.0616 29.4299 176.8622 91 E 3.9724 8.8433 120.6481 59.3045 29.8038 177.0700 92 D 4.7986 7.8945 117.3905 54.1828 41.0201 175.5518 93 Y 3.4945 7.8891 121.4943 57.1097 39.4981 173.9554 94 D 4.0351 6.0500 125.3048 51.0727 43.0313 174.0973 95 P 4.1161 0.0000 0.0000 63.9274 31.5145 176.5642 96 C 4.6632 8.0063 116.6473 59.1632 28.4365 173.9670 97 W 4.4918 7.5441 120.2437 56.8971 29.1828 176.9818 98 S 4.5070 8.9310 117.6374 57.4698 64.6876 175.3029 99 L 4.0485 8.4576 122.9367 58.5089 41.7146 178.2616 100 Q 3.9780 8.2031 118.7376 59.5665 28.6484 178.3885 101 E 3.7058 7.6844 117.2755 59.0392 29.6627 178.8446 102 K 2.6902 7.7105 119.5694 59.5684 32.0343 178.2140 103 Y 4.1295 7.7201 114.3663 59.7478 38.0483 176.6102 104 N 4.7273 7.8048 115.9898 52.4275 39.5263 175.3407 105 S 4.3014 6.7210 116.2636 57.3381 64.4678 175.2714 106 R 3.9784 8.8962 120.5691 59.7184 29.7808 178.8095 107 A 4.2889 8.3119 119.3488 55.3722 18.4317 179.2547 108 A 4.3679 8.1833 118.8076 55.5811 18.5092 179.4788 109 A 4.0794 8.1008 118.9383 55.6818 18.3383 179.9391 110 L 4.0666 8.1991 117.3459 57.8419 41.7162 179.5163 111 F 3.6368 8.5095 120.6795 60.8786 39.2308 177.1717 112 R 3.6374 8.3460 117.9570 59.4219 29.8869 178.0635 113 D 4.2519 8.1365 117.3451 57.4360 41.1605 178.3346 114 K 3.6728 7.9396 119.8771 59.5584 32.0931 178.8791 115 V 3.2423 7.6547 118.5781 65.6400 31.4015 177.9805 116 V 3.4208 7.8195 118.0887 66.0137 31.1329 177.7179 117 A 3.9346 7.9261 119.2007 55.1972 18.2761 179.2667 118 L 4.0065 7.6978 115.8964 57.8278 41.7743 179.2943 119 A 4.1013 7.6637 119.3360 55.1562 18.4498 177.2151 120 E 4.0557 8.0327 120.0302 56.7530 29.5021 176.8383 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 3 S 8.23 4.92 0.00 3.65 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 4 P 0.00 4.20 0.00 2.24 2.10 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 5 R 8.05 3.95 0.00 1.73 1.97 0.00 3.24 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.00 6 T 7.89 3.75 3.97 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 1.19 0.00 0.00 7 R 8.22 3.84 0.00 1.85 1.98 0.00 3.30 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 8 K 8.10 4.02 0.00 1.75 1.88 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.10 7.81 9 V 7.11 3.76 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 0.93 0.00 0.00 0.94 0.00 0.00 10 L 7.76 4.22 0.00 1.80 1.92 0.26 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.17 4.07 0.00 1.79 1.82 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 12 E 7.70 4.13 0.00 2.10 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 2.27 2.21 0.00 13 V 7.79 4.06 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 1.42 0.00 0.00 1.12 0.00 0.00 14 R 8.76 3.09 0.00 1.79 1.92 0.00 3.32 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 15 V 7.82 4.26 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 0.94 0.00 0.00 0.93 0.00 0.00 16 Q 8.51 4.81 0.00 2.35 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 17 D 8.59 4.76 0.00 2.60 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 18 E 8.53 4.11 0.00 2.28 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 0.00 2.34 2.36 0.00 19 N 7.63 4.50 0.00 2.58 1.56 0.00 0.00 6.66 7.88 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 20 N 7.89 4.80 0.00 2.65 2.71 0.00 0.00 6.94 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 21 V 7.18 5.03 2.19 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 0.95 0.00 0.00 1.06 0.00 0.00 22 C 9.33 4.53 0.00 3.02 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 23 F 9.08 4.34 0.00 3.50 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 24 E 8.49 4.14 0.00 2.08 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 0.00 2.57 2.45 0.00 25 C 8.03 4.58 0.00 3.02 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 26 G 8.60 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 0.00 0.00 0.00 27 A 7.58 3.75 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.21 4.91 0.00 3.12 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 29 N 9.21 4.98 0.00 2.90 2.94 0.00 0.00 7.14 7.26 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 30 P 0.00 4.45 0.00 2.58 2.32 0.00 3.97 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 31 Q 9.10 4.70 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.65 2.37 0.00 32 W 8.84 5.34 0.00 3.45 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.79 4.84 1.90 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 0.18 0.00 0.00 1.04 0.00 0.00 34 S 8.75 4.66 0.00 3.82 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 35 V 9.05 3.61 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 0.92 0.00 0.00 0.95 0.00 0.00 36 T 7.43 3.50 3.65 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 0.00 0.00 0.00 0.54 0.00 0.00 37 Y 7.84 4.60 0.00 2.77 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 38 G 8.32 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 39 I 7.51 4.92 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.71 0.67 0.00 0.00 40 W 9.60 5.30 0.00 3.40 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 41 I 9.38 5.21 1.97 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 1.37 0.91 1.07 0.00 0.00 42 C 8.72 5.06 0.00 3.14 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 43 L 9.06 3.57 0.00 1.67 1.76 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.06 4.07 0.00 2.02 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 2.34 2.38 0.00 45 C 8.03 4.26 0.00 3.06 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 46 S 8.22 4.02 0.00 3.41 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.10 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 48 R 7.73 4.05 0.00 2.07 1.98 0.00 3.14 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 49 H 8.69 4.01 0.00 3.25 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.75 4.13 0.00 1.89 1.89 0.00 2.97 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 51 G 7.49 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.55 4.11 0.00 1.65 1.67 0.43 0.90 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 53 G 8.26 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.90 3.99 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 1.03 0.00 0.00 1.19 0.00 0.00 55 H 8.40 4.42 0.00 3.30 3.46 0.00 5.49 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 56 L 6.87 4.54 0.00 1.66 1.82 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.49 4.36 0.00 3.69 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 58 F 9.17 4.74 0.00 3.08 2.84 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 59 V 7.71 4.62 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 0.79 0.00 0.00 0.85 0.00 0.00 60 R 8.52 4.67 0.00 1.55 1.46 0.00 2.97 0.00 0.00 2.75 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.04 0.00 61 S 8.16 4.29 0.00 2.72 3.36 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 62 V 7.70 3.92 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 0.84 0.00 0.00 1.00 0.00 0.00 *67 W 8.10 4.60 0.00 3.36 3.20 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 68 K 8.88 4.70 0.00 1.79 1.69 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.56 7.81 69 D 8.96 4.44 0.00 2.77 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 70 I 7.74 3.68 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.15 0.84 0.00 0.00 71 E 8.33 4.00 0.00 2.49 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 2.10 2.20 0.00 72 L 8.10 4.07 0.00 1.88 1.69 0.83 0.38 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 73 E 8.51 3.98 0.00 2.11 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 2.48 2.49 0.00 74 K 8.05 4.03 0.00 1.96 1.92 0.00 1.51 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.70 7.81 75 M 7.77 4.22 0.00 1.97 2.30 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 3.06 0.00 76 K 8.18 4.23 0.00 1.85 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.32 7.81 77 A 7.95 4.43 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.55 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 79 G 7.61 4.69 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 0.00 0.00 0.00 80 N 8.58 4.52 0.00 3.21 3.21 0.00 0.00 7.21 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.05 4.29 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 82 K 8.24 3.99 0.00 2.02 2.22 0.00 1.89 0.00 0.00 1.99 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.95 1.73 7.81 83 F 8.76 3.58 0.00 2.55 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 84 R 8.51 3.82 0.00 2.19 2.14 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 85 E 8.51 3.93 0.00 2.05 1.85 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 2.26 2.19 0.00 86 F 8.41 4.44 0.00 3.40 3.29 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 0.00 87 L 8.06 3.79 0.00 1.48 1.47 0.08 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.56 2.87 0.00 1.79 1.68 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 1.62 2.04 0.00 89 S 7.28 4.38 0.00 3.92 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 90 Q 7.11 4.23 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 91 E 8.84 3.97 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 2.30 2.36 0.00 92 D 7.89 4.80 0.00 2.82 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 93 Y 7.89 3.49 0.00 2.90 2.77 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 94 D 6.05 4.04 0.00 1.80 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 0.00 0.00 0.00 95 P 0.00 4.12 0.00 2.07 2.03 0.00 2.87 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 96 C 8.01 4.66 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 W 7.54 4.49 0.00 3.32 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 98 S 8.93 4.51 0.00 4.10 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 99 L 8.46 4.05 0.00 1.84 1.78 1.11 0.63 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 0.00 100 Q 8.20 3.98 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 101 E 7.68 3.71 0.00 1.86 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 102 K 7.71 2.69 0.00 1.90 1.82 0.00 1.68 0.00 0.00 1.45 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.67 1.60 7.81 103 Y 7.72 4.13 0.00 3.12 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 7.80 4.73 0.00 2.72 2.80 0.00 0.00 7.01 7.18 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 0.00 105 S 6.72 4.30 0.00 3.68 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 0.00 106 R 8.90 3.98 0.00 1.99 2.18 0.00 3.20 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 107 A 8.31 4.29 1.64 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 0.00 0.00 108 A 8.18 4.37 1.58 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 0.00 0.00 109 A 8.10 4.08 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.20 4.07 0.00 2.31 2.04 1.13 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.51 3.64 0.00 3.05 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 0.00 112 R 8.35 3.64 0.00 2.12 1.86 0.00 3.04 0.00 0.00 2.92 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.94 0.00 113 D 8.14 4.25 0.00 2.69 2.84 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 0.00 114 K 7.94 3.67 0.00 1.70 1.34 0.00 1.54 0.00 0.00 1.07 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.99 1.24 7.81 115 V 7.65 3.24 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 0.85 0.00 0.00 0.37 0.00 0.00 116 V 7.82 3.42 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 0.91 0.00 0.00 0.82 0.00 0.00 117 A 7.93 3.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.70 4.01 0.00 1.76 1.68 0.82 0.68 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 0.00 119 A 7.66 4.10 1.28 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 0.00 120 E 8.03 4.06 0.00 2.04 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 2.30 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.