NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5146 8.4045 118.7933 54.5561 33.5735 173.6473 2 S 4.7298 8.1695 111.7764 58.3119 64.8976 165.8920 3 A 4.3852 8.7992 120.9356 54.5825 22.9035 174.8300 4 Q 2.8209 7.7534 117.4246 54.0740 30.8611 171.4849 5 K 4.3095 7.1474 114.6723 57.1835 35.4715 171.8052 6 A 4.7105 8.3286 118.8843 54.8365 23.0267 174.7718 7 P 4.5581 0.0000 0.0000 62.8367 34.1768 170.9171 8 K 3.8151 10.7800 115.6866 54.7391 28.2303 180.8223 *9 W 4.5432 7.3022 119.2571 54.2678 30.5891 174.1957 *10 Y 4.0660 8.9959 126.4375 54.9983 34.2540 169.8533 11 P 4.5620 0.0000 0.0000 62.9509 29.0423 175.7447 12 S 4.5410 8.2259 121.1947 57.9833 65.0388 177.8426 13 E 3.5192 9.8887 114.3020 58.8505 27.2401 176.6458 14 D 4.4712 8.7025 123.5994 52.8544 43.6469 172.1056 15 V 3.5106 8.4886 110.4969 63.2154 29.6865 172.3605 16 A 4.5109 7.5880 128.7149 49.9011 17.7456 179.2428 17 A 3.7992 8.9051 123.4035 54.7601 16.5037 177.3468 18 L 4.3442 8.0196 127.6362 56.1236 45.4083 180.4907 19 K 4.3335 8.4976 117.9458 54.7886 31.3253 179.5873 20 K 4.6826 7.7774 120.9004 55.9592 30.6162 176.9375 21 T 5.2045 7.9373 117.7468 63.5347 71.5619 170.4084 22 R 4.7598 7.1579 126.2234 56.3008 30.9387 179.7252 23 K 4.8290 8.4416 109.7990 53.7654 31.8603 173.3448 24 A 3.9455 7.9037 124.7979 52.7998 19.0476 177.0634 25 A 4.9907 8.0257 127.8401 52.5547 22.2357 175.6431 26 R 4.5437 8.8663 115.5228 56.8309 31.7529 169.7677 27 P 4.0669 0.0000 0.0000 63.9565 27.3581 176.4700 28 Q 4.3351 8.1353 125.7060 55.6693 27.1447 178.2177 29 K 4.5056 7.6165 126.4861 56.4036 34.7414 176.3792 30 L 4.5505 7.9183 115.3143 57.9129 45.6361 171.2341 31 R 4.4370 8.7922 111.9407 60.0423 30.2133 170.5902 32 A 3.0238 9.2399 122.1265 54.8277 19.1778 176.7749 33 S 3.1950 8.3518 117.2348 59.1371 63.0786 168.9120 34 L 4.0172 8.7164 122.1387 58.9798 39.5726 174.8391 35 V 4.5401 8.5229 115.3657 61.1658 33.9434 176.5444 36 P 4.9648 0.0000 0.0000 61.9852 33.4707 177.1005 37 G 4.1061 8.7983 104.3019 49.0508 0.0000 174.6275 38 T 4.1333 7.9460 112.1667 60.3070 69.1900 178.0336 39 V 3.8652 8.3203 123.9353 62.0708 30.0807 175.2053 40 L 4.7740 8.0147 128.8364 53.4756 42.8500 176.3525 41 I 4.3733 8.3680 126.4921 58.6757 38.7831 172.1445 42 L 3.9918 8.8346 133.1356 54.6846 40.9289 174.8463 43 L 4.0819 8.8882 125.0209 56.0690 41.3883 171.0547 44 A 4.3435 7.6513 126.1189 51.4804 17.7765 176.3344 45 G 4.2993 8.0045 109.3207 45.6007 0.0000 171.3795 46 R 4.5297 8.3302 120.5965 56.8537 30.5811 177.0407 *47 F 4.1573 8.5480 116.7269 56.2216 37.8768 177.3251 48 R 3.9021 8.6401 119.0879 58.4855 28.7819 177.6685 49 G 4.6778 8.3344 127.0700 46.1750 0.0000 171.4157 50 K 4.0939 8.1198 132.1404 56.8676 36.9134 173.2650 51 R 4.2725 8.4845 112.8984 58.3900 28.4855 172.3244 52 V 4.3436 9.3563 125.0480 63.1168 33.5625 174.2506 53 V 3.1769 7.3930 119.9466 62.0003 27.5600 168.6384 *54 Y 4.6622 7.6492 129.0145 55.6004 38.7810 176.6541 55 L 4.5621 7.7323 124.4297 53.5040 43.9936 172.1767 56 K 4.1357 7.5211 125.7794 55.5831 31.4250 179.3751 *57 H 4.5552 8.7691 122.6142 54.6296 27.6270 174.4632 58 L 3.9322 6.9690 119.3982 59.2362 42.1087 184.6461 59 E 4.7632 7.4540 117.3216 55.9745 31.2679 181.7751 60 D 4.3006 9.2533 119.7557 57.4367 41.4496 176.5767 61 N 5.4450 10.0171 123.6533 53.3702 36.2448 173.1908 62 T 4.8879 7.5910 112.7759 62.0270 68.5404 178.0757 63 L 5.2119 8.4716 129.7480 54.0092 45.2535 179.1709 64 L 5.1971 8.3609 122.3722 53.9200 45.5373 177.1997 65 I 4.7692 9.1692 122.0559 61.5017 38.9569 177.0359 66 S 4.7836 7.6491 115.0459 61.9435 66.9676 175.1015 67 G 4.0795 7.9272 107.5211 47.2423 0.0000 171.9181 68 P 5.3739 0.0000 0.0000 61.2984 32.8251 178.8480 *69 F 4.0398 8.3275 120.4067 60.9872 38.0639 175.6142 70 K 3.8593 7.9161 121.9031 54.8330 31.9322 177.3530 71 V 4.5951 7.6289 125.1189 60.4336 34.0106 169.9440 72 N 5.0704 8.3987 117.6851 52.3347 39.8580 177.5468 73 G 4.2971 8.6430 111.3320 45.9623 0.0000 173.8929 74 V 3.3204 8.2059 118.4353 61.6842 29.1724 178.0336 75 P 4.6532 0.0000 0.0000 64.6330 32.5677 177.6659 76 L 4.9347 7.8210 109.5947 57.2562 42.3600 170.5962 77 R 4.4141 7.8145 128.7874 56.9788 32.1447 177.3569 78 R 4.9254 8.1195 119.5891 57.6688 33.1610 173.9913 79 V 4.3455 8.9931 117.3267 63.8624 36.4234 171.2670 80 N 4.5677 8.6115 111.9491 54.9525 39.4995 172.9902 81 A 4.7674 7.2808 124.6893 52.1325 26.3000 176.5252 82 R 4.9387 7.6772 117.5722 54.4988 31.0071 177.2349 *83 Y 4.7994 7.4889 128.8453 57.3965 41.4603 180.8754 84 V 4.3091 8.9273 118.6927 61.6265 31.3366 176.4809 85 I 4.6215 7.0659 131.0520 59.0535 40.7789 180.1396 86 A 4.5709 7.1702 128.5074 54.8425 18.0806 178.8814 87 T 4.5481 8.4698 109.7792 61.1896 69.9198 170.8396 88 S 4.8163 8.0235 120.4713 58.4190 63.8911 179.5486 89 T 4.3772 8.6272 119.3467 60.9061 69.8306 174.5371 90 K 4.5968 6.9135 122.9078 56.8418 34.3150 183.7240 91 V 4.6809 7.6173 111.1633 60.9772 33.2355 173.9961 92 S 4.5003 8.2638 124.9702 59.4901 61.7379 182.4267 93 V 3.2475 8.1663 116.1029 65.0824 32.4333 176.9239 94 E 4.2955 7.6615 121.6246 60.4684 29.5381 181.2635 95 G 3.7864 9.1055 109.6249 47.7402 0.0000 176.9836 96 V 3.7838 7.8255 123.7033 66.4401 31.4631 181.0375 97 N 4.6451 9.7396 121.9215 58.9480 37.4146 181.7806 98 V 3.7660 7.4250 122.4786 66.2654 31.5629 180.9110 99 E 3.4360 8.9273 114.0182 60.6091 29.9755 182.2282 100 K 4.3255 6.2630 125.2025 60.8521 33.0382 181.1120 *101 F 4.9258 8.1006 123.0628 58.1515 37.6877 178.6744 102 N 5.0649 9.5853 115.7964 52.4311 39.6175 178.4914 103 V 4.4362 8.2134 116.6971 60.9680 32.0733 179.6084 104 E 4.5240 7.7731 122.0064 56.3651 29.7389 178.7531 *105 Y 4.6706 7.2077 116.4231 56.9746 37.9074 178.3177 *106 F 4.9025 8.1918 119.8153 57.1884 41.4842 175.3155 107 A 3.5700 8.5294 123.9433 54.2796 14.6195 178.2370 108 K 4.7949 8.6242 126.3682 54.9489 35.1470 178.4100 109 E 5.9800 9.2430 123.4878 58.1539 29.0561 173.8672 110 K 5.0481 6.6801 134.7221 55.5497 31.7058 176.5283 111 L 4.6568 8.7243 127.7547 53.5664 45.1516 178.1157 112 T 4.2975 7.9035 110.5141 61.8451 71.9190 176.6734 113 K 4.3819 9.4337 128.0636 54.3126 31.8748 175.3856 114 K 4.9152 7.6990 122.4500 54.6729 33.0057 177.2785 115 E 3.8773 9.6073 117.9115 62.2129 29.4462 180.7990 116 K 4.3045 7.2837 121.6928 56.2805 29.2231 178.4763 117 K 4.2703 7.8937 127.6471 54.4630 30.5581 177.4965 118 E 3.5033 8.6967 116.0932 57.2007 29.3598 177.1345 119 A 3.5719 8.5702 129.0063 52.9426 18.1817 174.0733 120 N 5.1231 8.6070 113.6175 52.8835 40.3948 171.1578 121 L 4.3005 9.0637 116.1094 56.0969 40.6015 171.6314 *122 F 4.2683 8.6551 118.5678 56.6584 37.2357 176.4994 123 P 4.2535 0.0000 0.0000 66.4246 31.0772 184.1855 124 E 4.3626 7.9568 119.7358 57.1663 32.2023 180.2351 125 Q 3.7685 9.1671 118.1071 59.5862 28.7973 172.6456 126 Q 4.6545 7.4789 118.1556 55.1182 27.3500 181.5293 127 N 5.1896 9.1266 114.8409 53.0674 36.4190 176.4536 128 K 4.5201 7.7433 122.1404 56.6156 37.5615 178.8173 129 E 4.1547 7.4183 116.2823 59.1464 30.1817 184.3278 130 I 4.2225 7.4546 120.3661 59.9888 37.2314 179.4318 131 K 4.3301 7.9351 119.3798 56.8714 31.6880 176.4207 132 A 3.7520 7.7875 127.1361 52.9273 15.8000 177.7953 133 E 3.9507 8.2303 129.0911 61.5568 29.9460 180.6323 134 R 3.9179 8.1708 121.8309 61.3518 29.4149 181.0971 135 V 4.0204 8.6715 120.5279 66.9896 31.5965 183.9757 136 E 4.5588 9.0473 120.1097 61.6101 29.8136 183.3456 137 D 4.7407 8.0483 116.8425 55.1005 40.1961 179.6838 138 Q 4.3562 9.1369 121.9137 58.7925 29.0422 182.9557 139 K 3.9320 8.6297 121.3882 58.9463 31.6174 181.2402 140 V 3.5265 7.5883 117.4040 64.0930 31.9072 179.7316 141 V 3.9879 7.4697 125.9097 60.3747 31.0023 178.8574 142 D 4.4137 8.8571 127.5381 55.6905 40.2658 175.8460 143 K 4.0728 8.6510 124.3662 54.3290 30.7399 175.6032 144 A 3.6634 8.0340 127.2354 51.5520 18.0771 177.6998 145 L 3.8373 9.2531 122.2798 57.7579 41.5152 179.9613 146 I 3.3024 8.4880 110.2428 61.3846 39.1227 179.3590 147 A 3.6783 7.5268 123.0842 54.6347 20.4127 180.0493 148 E 4.6453 8.9459 126.2560 57.5849 28.5413 175.7440 149 I 4.4222 8.6002 122.7295 61.6481 38.4957 175.3195 150 K 4.4653 8.3152 130.8172 53.5307 29.8237 180.7287 151 K 4.1031 8.6841 122.0315 58.3974 32.6176 182.7736 152 T 3.8937 8.7393 113.1624 64.8922 68.9765 179.9343 153 P 4.2800 0.0000 0.0000 65.5440 30.6290 180.0907 154 L 4.7512 8.1042 119.3847 53.7888 42.0224 178.8614 155 L 4.5104 9.9255 126.2529 56.0034 49.2399 180.4399 156 K 4.0671 9.2235 127.3649 57.5576 33.2236 181.7586 157 Q 4.1543 8.4162 118.7771 60.1272 27.8227 185.0000 *158 Y 4.3351 8.2427 116.7525 57.0176 36.1911 179.1604 159 L 4.7484 9.3883 123.7024 55.3770 45.7863 181.6649 160 S 4.3226 7.9416 115.9626 62.2906 61.8071 180.4205 161 A 4.2632 7.8055 124.7785 56.8189 18.9491 180.2586 162 S 4.7686 8.6993 120.6821 63.1016 62.0813 178.6407 *163 F 4.0759 7.2184 122.6764 63.1091 37.8937 182.6534 164 S 4.6549 7.8927 116.1162 58.5213 63.2196 177.6389 165 L 4.3925 8.5224 123.7068 54.2265 39.6465 183.9060 166 K 4.0613 9.1469 128.9729 58.7957 33.4560 178.4760 167 N 4.0320 7.2568 107.9417 49.8119 40.4885 178.5089 168 G 3.9710 9.4254 105.2238 49.5815 0.0000 173.7912 169 D 4.9223 7.5511 122.0446 56.0571 40.2709 180.4426 170 K 4.8179 9.6486 129.6080 58.4971 33.4791 179.3461 171 P 4.7413 0.0000 0.0000 62.8109 30.1881 176.4032 *172 H 4.5503 8.6051 128.2475 53.5256 23.9359 177.1608 173 M 4.4068 10.4559 127.9570 57.3990 32.6420 177.1610 174 L 4.1134 7.6140 133.1439 53.9823 41.7973 170.9226 175 K 4.8265 6.9290 129.8014 55.5291 34.2370 178.8456 *176 F 4.3102 8.5085 114.9115 59.4801 38.8009 170.5928 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 1 M 8.40 4.51 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 S 8.17 4.73 0.00 3.65 3.61 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 3 A 8.80 4.39 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 7.75 2.82 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.69 0.00 0.00 0.00 0.00 0.00 2.24 1.95 0.00 5 K 7.15 4.31 0.00 1.70 1.59 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.18 0.92 7.81 6 A 8.33 4.71 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 7 P 0.00 4.56 0.00 2.07 1.52 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.38 0.00 8 K 10.78 3.82 0.00 1.96 1.86 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 0.98 7.81 *9 W 7.30 4.54 0.00 2.45 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 0.00 0.00 0.00 0.00 *10 Y 9.00 4.07 0.00 2.40 2.45 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 11 P 0.00 4.56 0.00 2.17 2.29 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.53 0.00 12 S 8.23 4.54 0.00 3.56 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 13 E 9.89 3.52 0.00 2.05 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 2.16 1.85 0.00 14 D 8.70 4.47 0.00 2.63 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.49 3.51 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 0.85 0.00 0.00 0.93 0.00 0.00 16 A 7.59 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.91 3.80 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 18 L 8.02 4.34 0.00 1.62 1.52 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.50 4.33 0.00 1.92 1.91 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 0.97 7.81 20 K 7.78 4.68 0.00 1.76 1.25 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 0.98 7.81 21 T 7.94 5.20 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 22 R 7.16 4.76 0.00 1.66 1.54 0.00 3.15 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 23 K 8.44 4.83 0.00 1.72 1.60 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 0.96 7.81 24 A 7.90 3.95 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 25 A 8.03 4.99 1.22 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 0.00 0.00 26 R 8.87 4.54 0.00 1.79 1.73 0.00 3.42 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.03 0.00 27 P 0.00 4.07 0.00 2.17 1.91 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.56 0.00 28 Q 8.14 4.34 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.86 0.00 0.00 0.00 0.00 0.00 2.29 1.95 0.00 29 K 7.62 4.51 0.00 1.77 1.67 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.00 7.81 30 L 7.92 4.55 0.00 1.60 1.46 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.79 4.44 0.00 1.77 1.75 0.00 3.29 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 32 A 9.24 3.02 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 33 S 8.35 3.20 0.00 3.72 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 34 L 8.72 4.02 0.00 1.65 1.39 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.52 4.54 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 0.91 0.00 0.00 0.93 0.00 0.00 36 P 0.00 4.96 0.00 2.06 1.88 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.55 0.00 37 G 8.80 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 38 T 7.95 4.13 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 39 V 8.32 3.87 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 0.86 0.00 0.00 0.93 0.00 0.00 40 L 8.01 4.77 0.00 1.41 1.47 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.37 4.37 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 1.09 1.04 0.91 0.00 0.00 42 L 8.83 3.99 0.00 1.42 1.56 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.89 4.08 0.00 1.56 1.69 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.65 4.34 1.27 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 0.00 0.00 45 G 8.00 4.30 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 0.00 46 R 8.33 4.53 0.00 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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 0.00 0.00 55 L 7.73 4.56 0.00 1.56 1.44 0.92 0.81 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 56 K 7.52 4.14 0.00 1.67 1.78 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.00 7.81 *57 H 8.77 4.56 0.00 2.92 2.98 0.00 7.20 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 6.97 3.93 0.00 1.67 1.45 0.92 0.73 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 59 E 7.45 4.76 0.00 1.92 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 2.15 2.11 0.00 60 D 9.25 4.30 0.00 2.62 2.46 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 61 N 10.02 5.44 0.00 2.82 3.12 0.00 0.00 6.66 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 62 T 7.59 4.89 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 63 L 8.47 5.21 0.00 1.32 1.52 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.36 5.20 0.00 1.26 1.48 0.92 0.75 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 65 I 9.17 4.77 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 1.09 1.24 0.91 0.00 0.00 66 S 7.65 4.78 0.00 3.63 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.93 4.08 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 0.00 68 P 0.00 5.37 0.00 2.21 1.94 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.30 0.00 *69 F 8.33 4.04 0.00 2.29 2.24 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 70 K 7.92 3.86 0.00 1.85 1.92 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.16 0.78 7.81 71 V 7.63 4.60 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 72 N 8.40 5.07 0.00 2.67 2.68 0.00 0.00 6.70 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.64 4.30 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 0.00 74 V 8.21 3.32 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 0.71 0.00 0.00 0.93 0.00 0.00 75 P 0.00 4.65 0.00 1.99 2.01 0.00 3.73 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 2.02 1.58 0.00 76 L 7.82 4.93 0.00 1.36 1.43 0.92 0.73 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 77 R 7.81 4.41 0.00 1.50 1.85 0.00 3.17 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.20 0.00 78 R 8.12 4.93 0.00 1.56 1.73 0.00 3.27 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.00 79 V 8.99 4.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.21 0.00 0.00 88 S 8.02 4.82 0.00 3.61 3.66 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 89 T 8.63 4.38 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 90 K 6.91 4.60 0.00 1.82 1.15 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.12 0.74 7.81 91 V 7.62 4.68 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 0.70 0.00 0.00 0.93 0.00 0.00 92 S 8.26 4.50 0.00 3.64 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 93 V 8.17 3.25 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 0.65 0.00 0.00 0.93 0.00 0.00 94 E 7.66 4.30 0.00 2.16 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 2.24 2.19 0.00 95 G 9.11 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 96 V 7.83 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0.00 0.00 0.00 121 L 9.06 4.30 0.00 1.71 1.88 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 *122 F 8.66 4.27 0.00 2.29 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 0.00 0.00 0.00 0.00 123 P 0.00 4.25 0.00 2.08 1.84 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 124 E 7.96 4.36 0.00 1.89 1.89 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 2.31 1.87 0.00 125 Q 9.17 3.77 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 7.03 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 126 Q 7.48 4.65 0.00 1.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.25 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 127 N 9.13 5.19 0.00 2.74 2.73 0.00 0.00 6.23 7.44 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 0.00 128 K 7.74 4.52 0.00 1.72 1.67 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.97 7.81 129 E 7.42 4.15 0.00 1.99 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 2.26 2.12 0.00 130 I 7.45 4.22 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 1.27 1.10 0.91 0.00 0.00 131 K 7.94 4.33 0.00 1.73 1.61 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 0.96 7.81 132 A 7.79 3.75 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 0.00 133 E 8.23 3.95 0.00 1.98 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 2.33 1.99 0.00 134 R 8.17 3.92 0.00 1.90 1.89 0.00 3.25 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.28 0.00 135 V 8.67 4.02 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 0.90 0.00 0.00 0.93 0.00 0.00 136 E 9.05 4.56 0.00 1.90 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 2.21 2.18 0.00 137 D 8.05 4.74 0.00 2.69 2.61 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 0.00 138 Q 9.14 4.36 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 139 K 8.63 3.93 0.00 1.76 1.79 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.05 7.81 140 V 7.59 3.53 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 0.85 0.00 0.00 0.93 0.00 0.00 141 V 7.47 3.99 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 0.83 0.00 0.00 0.93 0.00 0.00 142 D 8.86 4.41 0.00 2.69 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 0.00 143 K 8.65 4.07 0.00 1.93 1.83 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.99 7.81 144 A 8.03 3.66 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 0.00 145 L 9.25 3.84 0.00 1.67 1.64 0.92 0.87 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 0.00 146 I 8.49 3.30 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 1.35 0.47 0.91 0.00 0.00 147 A 7.53 3.68 1.11 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 0.00 148 E 8.95 4.65 0.00 1.99 1.79 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 2.17 1.86 0.00 149 I 8.60 4.42 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 1.16 1.23 0.91 0.00 0.00 150 K 8.32 4.47 0.00 1.73 2.11 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 0.90 7.81 151 K 8.68 4.10 0.00 1.73 1.87 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.31 7.81 152 T 8.74 3.89 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 0.00 153 P 0.00 4.28 0.00 2.08 2.03 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 154 L 8.10 4.75 0.00 1.61 1.55 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 155 L 9.93 4.51 0.00 1.53 1.36 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 156 K 9.22 4.07 0.00 1.67 1.87 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.03 7.81 157 Q 8.42 4.15 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.17 0.00 0.00 0.00 0.00 0.00 2.37 1.96 0.00 *158 Y 8.24 4.34 0.00 2.28 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 0.00 0.00 0.00 159 L 9.39 4.75 0.00 1.51 1.61 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 160 S 7.94 4.32 0.00 3.77 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 0.00 161 A 7.81 4.26 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 0.00 162 S 8.70 4.77 0.00 3.71 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *163 F 7.22 4.08 0.00 2.49 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 0.00 0.00 0.00 0.00 164 S 7.89 4.65 0.00 3.62 3.78 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 0.00 0.00 0.00 0.00 165 L 8.52 4.39 0.00 1.51 1.62 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 166 K 9.15 4.06 0.00 1.68 1.85 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.06 7.81 167 N 7.26 4.03 0.00 2.70 2.10 0.00 0.00 6.60 7.81 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 0.00 168 G 9.43 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 0.00 0.00 0.00 0.00 169 D 7.55 4.92 0.00 2.84 2.54 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 0.00 170 K 9.65 4.82 0.00 1.85 1.73 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.30 7.81 171 P 0.00 4.74 0.00 2.08 1.91 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 *172 H 8.61 4.55 0.00 3.01 2.92 0.00 7.14 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 0.00 173 M 10.46 4.41 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.07 0.00 174 L 7.61 4.11 0.00 1.75 1.72 0.92 0.71 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 0.00 175 K 6.93 4.83 0.00 1.72 1.49 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 0.95 7.81 *176 F 8.51 4.31 0.00 2.25 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.