NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2082 8.0732 119.7809 55.5920 34.5879 174.3840 5 I 5.0015 8.6944 120.4794 58.8834 39.4762 172.4304 6 I 4.9167 9.3122 127.9277 59.2440 41.2296 173.0262 7 Y 5.4101 8.9104 130.7310 56.0267 41.3356 174.1116 8 F 4.8714 9.2991 127.0552 56.5044 40.5988 175.0865 9 L 5.4043 8.7539 123.9407 52.5266 45.3336 175.3003 10 C 4.8673 8.1102 120.8241 58.5215 35.1665 174.1838 11 T 3.9656 8.8309 109.5609 64.1129 69.0947 174.0548 12 G 4.9735 7.8732 109.2415 43.9341 0.0000 170.7450 13 N 5.6084 8.2703 113.0764 52.2289 39.1540 174.2237 14 S 4.7625 7.9192 114.9883 58.3386 65.8614 174.9157 15 C 4.8718 7.3340 113.7973 59.9308 31.4612 175.9571 16 R 3.8319 8.4247 120.1632 60.0399 30.3960 178.9627 17 S 4.0984 8.0056 113.0685 61.4897 63.0032 176.3259 18 Q 3.9957 7.9473 121.2663 59.0112 28.5537 178.2395 19 M 4.0021 8.4036 119.9365 58.0564 31.8842 178.6244 20 A 3.7890 8.1206 121.3835 54.9551 18.4561 179.2342 21 E 3.8868 7.9356 117.9248 59.2657 29.2484 179.2477 22 G 3.5153 7.9296 105.6788 47.6500 0.0000 175.6976 23 W 4.4023 8.2522 121.6233 59.4005 29.0231 178.4426 24 A 4.2509 8.4493 121.0480 55.3587 17.6272 179.8797 25 K 4.0531 8.0626 115.9459 59.5573 32.1319 179.0571 26 Q 4.0459 7.7416 118.1321 58.4870 29.0795 176.6774 27 Y 4.4750 8.0818 115.3694 58.7061 39.4681 175.4070 28 L 4.6711 8.2675 119.6982 53.2660 44.1938 175.0900 *31 E 4.2741 8.5609 117.7369 55.7646 31.0855 175.6319 32 W 5.1769 8.1514 116.6212 54.8112 31.6485 175.5359 33 K 4.5400 9.8432 125.0970 54.8459 33.6302 175.3229 34 V 4.7667 8.1585 125.2358 61.6349 33.0853 174.3382 35 Y 5.2346 8.9976 124.1589 56.7465 42.7347 174.0927 36 S 5.4400 8.8823 113.8104 57.7666 66.5765 172.6003 37 A 4.7097 8.7737 121.5133 51.4789 23.0925 175.2608 38 G 4.4542 8.5279 105.4104 43.0915 0.0000 174.1583 39 I 4.0288 8.3934 122.0623 63.4284 37.7419 176.3489 40 E 4.9484 8.4784 118.1040 54.4656 33.3785 175.3788 41 A 4.8540 8.4237 122.7488 51.3432 21.8876 175.7190 42 H 4.8787 8.8901 116.6892 55.1324 29.4177 173.0720 43 G 4.1486 8.1986 106.8440 44.3563 0.0000 173.7612 44 L 4.2068 8.2286 120.5754 54.3332 42.5332 176.5515 45 N 4.6372 8.7303 122.6141 52.2831 39.7121 173.9537 46 P 4.2456 0.0000 0.0000 65.9555 31.3084 178.4115 47 N 4.1333 8.5923 115.3396 55.9007 38.2165 177.3844 48 A 4.1084 7.8233 121.9693 54.9809 18.6247 179.6582 49 V 3.4955 7.6738 116.5293 65.9997 31.6647 178.1808 50 K 3.9316 8.2330 119.2024 59.4407 31.4782 178.5759 51 A 4.1895 8.4584 121.2128 55.6651 18.2777 179.6086 52 M 4.0865 8.1604 117.1791 58.1351 31.9835 178.8545 53 K 4.0360 8.1250 121.2880 58.8459 32.0666 178.4039 54 E 4.0495 7.8939 118.4631 58.5455 29.5348 178.1984 55 V 4.3023 6.9082 110.4708 60.5639 31.8722 176.2945 56 G 3.8299 7.9954 106.3386 45.8660 0.0000 173.4833 57 I 4.1934 7.7648 120.3858 58.9244 39.3672 174.2808 58 D 4.6418 8.5916 125.3556 52.9771 41.3503 175.3375 59 I 4.3967 7.9738 119.3717 60.4231 38.0228 177.5303 60 S 4.1580 8.4108 117.2401 61.1161 62.6814 174.7357 61 N 4.7636 7.9092 116.1055 52.8983 38.8936 174.6503 62 Q 4.2098 7.8991 119.4014 55.6257 29.3573 176.2150 63 T 4.1849 8.3240 112.8342 61.0683 70.0669 174.1843 64 S 4.5896 8.4210 117.6358 57.1387 62.8199 172.8522 65 D 5.2508 8.3357 127.2737 52.2810 44.7266 175.7553 66 I 4.8348 8.1711 114.3945 59.2652 39.4629 175.4588 67 I 3.8317 8.2836 123.6328 61.9096 37.6493 175.1441 68 D 4.8189 9.3212 127.3330 52.4748 42.3942 177.1620 69 S 4.1758 8.7890 122.1982 61.8132 62.7286 176.4457 70 D 4.2872 8.9520 122.7042 57.2053 40.5201 178.7503 71 I 3.3627 7.6323 119.8546 64.0391 36.8236 178.0381 72 L 4.1134 7.8268 120.2981 58.2823 42.0105 178.3288 73 N 4.4637 8.0814 116.0426 55.9100 38.9761 175.6192 74 N 4.6777 7.6217 114.9207 51.9354 39.4993 175.1371 75 A 4.2054 7.2010 124.2363 52.4228 19.4429 177.3206 76 D 4.7892 9.0642 121.1294 55.6106 43.0639 176.6642 77 L 5.1723 7.8919 119.7363 53.3766 46.0133 174.9321 78 V 4.6753 8.7590 126.0514 60.9902 34.3284 174.0819 79 V 4.4850 8.2081 128.3342 61.1280 33.1487 174.3936 80 T 4.8763 8.4291 118.8078 60.8785 70.9230 175.1879 81 L 5.8709 9.1393 121.8168 54.2697 43.2764 177.8107 82 C 4.1292 8.1996 114.4932 59.5206 30.8278 173.4342 *96 V 4.0448 7.5112 119.0377 62.1848 31.9083 175.5583 97 K 4.3272 8.5719 127.6069 56.5944 33.2682 176.2377 98 R 5.0523 8.4136 122.8476 54.8042 33.3166 173.8693 99 E 4.8365 8.9480 124.1916 54.7168 34.0984 174.1163 100 H 5.2924 8.7992 121.3853 53.2972 32.4960 172.7562 101 W 4.7112 9.1713 126.6098 54.8969 31.7427 174.9152 102 G 4.3144 8.2603 112.4861 46.0677 0.0000 172.4082 103 F 5.0763 8.5058 120.9409 55.3723 43.1541 174.7217 104 D 4.5078 8.9712 121.7917 54.3295 41.6061 175.9397 105 D 4.5468 8.6096 121.5638 52.7231 41.1866 175.4478 106 P 3.0123 0.0000 0.0000 64.6959 31.3068 178.7205 107 A 4.2600 8.1874 120.3933 54.2746 18.3467 178.0714 108 R 4.6335 7.6514 114.1246 55.8078 30.5762 176.5103 109 A 4.3983 7.8240 120.5431 52.4574 18.9572 177.9804 110 Q 4.6666 8.5707 119.1706 54.6537 32.6398 175.3104 111 G 3.8001 8.6461 104.6128 44.4720 0.0000 173.7715 112 T 4.2944 8.7022 110.3624 60.9131 70.9807 175.0774 113 E 4.0630 8.7567 120.4249 59.6874 29.3564 179.5072 114 E 4.1518 8.2399 117.0001 59.6540 29.8097 178.9508 115 E 4.0505 7.9597 119.0488 58.9540 29.5347 179.5005 116 K 4.2735 8.4387 118.6616 59.3105 32.2255 179.2173 117 W 4.6761 8.8365 128.7738 60.6930 30.5761 177.8713 118 A 4.1341 8.4310 122.1331 54.4031 17.6831 179.4615 119 F 4.3703 8.1851 118.9632 61.5926 39.4919 177.3957 120 F 3.5845 8.2174 117.4490 60.5389 38.2891 177.7375 121 Q 3.7453 7.7336 117.6360 58.6207 28.4333 178.6797 122 R 3.9041 8.1493 120.0226 59.5237 30.0999 178.8286 123 V 3.5906 7.8690 118.1475 65.7310 31.4344 177.7776 124 R 3.9417 7.9003 118.5635 59.8342 29.8511 178.3279 125 D 4.3350 8.2420 118.4570 57.2029 40.7602 178.6918 126 E 3.9057 8.1665 119.2669 59.4351 29.4799 179.4187 127 I 3.1716 7.7511 120.3045 63.9302 37.0227 178.7582 128 G 2.0000 7.4106 106.5412 46.8439 0.0000 175.2431 129 N 3.9249 7.7418 119.7366 56.2984 38.9418 176.9964 130 R 3.4830 7.6845 120.0424 59.1119 30.0073 178.2377 131 L 4.0221 7.6384 120.2262 57.9946 42.0414 179.0998 132 K 3.6206 7.7173 118.6072 59.0639 31.7668 178.9010 133 E 3.7955 7.8548 119.5956 59.1590 29.5626 178.6268 134 F 4.1170 8.1180 120.4571 61.3821 39.2803 176.9806 135 A 4.0913 8.2314 119.4433 55.0039 18.1892 179.0553 136 E 4.1300 7.9568 116.7293 58.6863 29.8389 178.3258 137 T 4.4297 8.1731 107.9125 60.7794 70.2327 175.7171 138 G 3.4827 8.4915 111.5588 45.7056 0.0000 174.2060 139 K 4.4358 7.7524 126.1189 54.5783 32.7876 180.2347 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 4 K 8.07 4.21 0.00 1.76 1.81 0.00 1.86 0.00 0.00 1.84 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.18 7.81 5 I 8.69 5.00 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 1.04 0.00 0.00 6 I 9.31 4.92 1.62 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.91 0.97 0.00 0.00 7 Y 8.91 5.41 0.00 2.86 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 8 F 9.30 4.87 0.00 3.04 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 9 L 8.75 5.40 0.00 1.42 1.36 0.41 0.36 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 10 C 8.11 4.87 0.00 2.98 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 11 T 8.83 3.97 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 12 G 7.87 4.97 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 13 N 8.27 5.61 0.00 2.71 2.70 0.00 0.00 7.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.92 4.76 0.00 3.87 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 15 C 7.33 4.87 0.00 2.91 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 16 R 8.42 3.83 0.00 1.85 1.98 0.00 3.26 0.00 0.00 3.77 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 17 S 8.01 4.10 0.00 4.08 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.95 4.00 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 19 M 8.40 4.00 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 20 A 8.12 3.79 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.94 3.89 0.00 2.12 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 2.32 2.40 0.00 22 G 7.93 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.25 4.40 0.00 3.46 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.45 4.25 1.60 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 25 K 8.06 4.05 0.00 1.92 1.91 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.63 7.81 26 Q 7.74 4.05 0.00 2.21 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.10 0.00 27 Y 8.08 4.47 0.00 3.19 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 28 L 8.27 4.67 0.00 1.85 1.83 0.75 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 *31 E 8.56 4.27 0.00 2.02 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 1.76 2.13 0.00 32 W 8.15 5.18 0.00 3.27 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 9.84 4.54 0.00 1.76 1.74 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.59 7.81 34 V 8.16 4.77 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 1.03 0.00 0.00 1.07 0.00 0.00 35 Y 9.00 5.23 0.00 2.93 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 36 S 8.88 5.44 0.00 4.02 3.98 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 37 A 8.77 4.71 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 38 G 8.53 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.39 4.03 2.01 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 1.26 0.72 0.91 0.00 0.00 40 E 8.48 4.95 0.00 2.09 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 2.21 2.59 0.00 41 A 8.42 4.85 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 42 H 8.89 4.88 0.00 3.19 3.36 0.00 5.70 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 43 G 8.20 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 4.21 0.00 1.65 1.62 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.73 4.64 0.00 2.85 2.87 0.00 0.00 6.88 7.73 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 46 P 0.00 4.25 0.00 2.11 2.03 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 47 N 8.59 4.13 0.00 1.59 1.46 0.00 0.00 6.85 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 48 A 7.82 4.11 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 49 V 7.67 3.50 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 0.95 0.00 0.00 0.96 0.00 0.00 50 K 8.23 3.93 0.00 1.87 1.97 0.00 1.30 0.00 0.00 0.71 0.00 0.00 2.65 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.47 1.36 7.81 51 A 8.46 4.19 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 8.16 4.09 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.74 0.00 53 K 8.12 4.04 0.00 1.91 2.00 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.28 7.81 54 E 7.89 4.05 0.00 2.15 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 2.40 2.64 0.00 55 V 6.91 4.30 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 0.56 0.00 0.00 56 G 8.00 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 57 I 7.76 4.19 1.48 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.65 0.68 0.00 0.00 58 D 8.59 4.64 0.00 2.55 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 59 I 7.97 4.40 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.81 0.00 0.00 60 S 8.41 4.16 0.00 3.98 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 61 N 7.91 4.76 0.00 2.71 2.88 0.00 0.00 6.97 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 62 Q 7.90 4.21 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 63 T 8.32 4.18 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 64 S 8.42 4.59 0.00 3.84 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 65 D 8.34 5.25 0.00 2.68 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 66 I 8.17 4.83 1.89 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 1.38 1.63 0.93 0.00 0.00 67 I 8.28 3.83 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.68 0.96 0.00 0.00 68 D 9.32 4.82 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.79 4.18 0.00 4.09 4.13 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 70 D 8.95 4.29 0.00 2.76 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 71 I 7.63 3.36 1.25 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.06 -0.50 0.00 0.00 72 L 7.83 4.11 0.00 1.93 1.92 1.05 0.94 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 73 N 8.08 4.46 0.00 2.84 2.97 0.00 0.00 7.21 7.90 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 74 N 7.62 4.68 0.00 2.64 2.77 0.00 0.00 6.99 7.47 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 75 A 7.20 4.21 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 76 D 9.06 4.79 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 77 L 7.89 5.17 0.00 1.93 1.58 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.76 4.68 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 0.83 0.00 0.00 0.99 0.00 0.00 79 V 8.21 4.49 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 -0.28 0.00 0.00 -0.09 0.00 0.00 80 T 8.43 4.88 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 81 L 9.14 5.87 0.00 1.73 1.99 0.98 0.97 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 82 C 8.20 4.13 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 *96 V 7.51 4.04 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 0.88 0.00 0.00 1.01 0.00 0.00 97 K 8.57 4.33 0.00 2.06 1.78 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.24 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.49 7.81 98 R 8.41 5.05 0.00 1.73 1.71 0.00 3.12 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.71 0.00 99 E 8.95 4.84 0.00 1.57 1.69 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 2.30 2.24 0.00 100 H 8.80 5.29 0.00 3.04 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 W 9.17 4.71 0.00 3.43 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 0.00 102 G 8.26 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 0.00 103 F 8.51 5.08 0.00 2.97 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.97 4.51 0.00 2.99 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 0.00 105 D 8.61 4.55 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.01 0.00 0.83 0.49 0.00 3.35 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.10 0.00 107 A 8.19 4.26 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.65 4.63 0.00 2.05 2.00 0.00 3.21 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 109 A 7.82 4.40 1.65 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 0.00 0.00 0.00 110 Q 8.57 4.67 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 111 G 8.65 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 0.00 0.00 0.00 112 T 8.70 4.29 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 113 E 8.76 4.06 0.00 2.04 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 2.43 2.33 0.00 114 E 8.24 4.15 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 115 E 7.96 4.05 0.00 2.39 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 116 K 8.44 4.27 0.00 2.20 2.19 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.23 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.64 1.77 7.81 117 W 8.84 4.68 0.00 3.46 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 0.00 118 A 8.43 4.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 8.19 4.37 0.00 3.15 3.32 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 0.00 120 F 8.22 3.58 0.00 3.16 2.86 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 0.00 121 Q 7.73 3.75 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.00 122 R 8.15 3.90 0.00 2.15 2.19 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 123 V 7.87 3.59 1.77 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 0.87 0.00 0.00 0.60 0.00 0.00 124 R 7.90 3.94 0.00 2.03 2.14 0.00 3.21 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.84 0.00 125 D 8.24 4.34 0.00 2.84 2.64 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 0.00 126 E 8.17 3.91 0.00 2.25 2.25 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 2.36 2.59 0.00 127 I 7.75 3.17 1.74 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.21 0.68 0.00 0.00 128 G 7.41 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 7.74 3.92 0.00 2.70 2.78 0.00 0.00 6.88 8.51 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 0.00 130 R 7.68 3.48 0.00 1.77 1.60 0.00 2.63 0.00 0.00 2.60 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 131 L 7.64 4.02 0.00 1.78 1.54 1.12 1.11 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 0.00 132 K 7.72 3.62 0.00 1.67 1.51 0.00 1.24 0.00 0.00 1.19 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.32 0.76 7.81 133 E 7.85 3.80 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 134 F 8.12 4.12 0.00 3.31 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 0.00 135 A 8.23 4.09 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 7.96 4.13 0.00 2.06 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 2.32 2.41 0.00 137 T 8.17 4.43 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 1.21 0.00 0.00 138 G 8.49 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.75 4.44 0.00 1.76 1.51 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.