NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8883 8.3549 109.7384 45.7155 0.0000 172.7138 2 L 4.5487 8.2875 122.5468 53.1184 44.7798 172.7448 3 E 4.8464 9.1296 118.4240 54.9408 33.7032 175.9356 4 C 4.4681 8.3409 121.6095 55.6620 37.0797 173.2404 *6 G 3.6648 8.3847 107.2696 46.7498 0.0000 173.9264 7 K 3.8847 8.6956 120.0284 56.9096 30.8837 176.7977 8 V 4.1383 7.0738 121.2280 61.5678 29.8949 175.1802 9 N 4.7383 8.0039 117.0453 53.1727 38.6278 175.5189 10 I 4.3990 7.2373 119.5029 60.3849 38.7519 174.3285 11 C 4.1722 8.2272 125.6572 56.9680 43.9925 170.6604 12 C 4.9943 9.3624 120.5312 53.7478 43.7316 172.9733 13 K 4.6026 8.3362 120.9435 55.9027 32.8100 175.2692 14 K 4.4533 8.7478 129.8906 54.6919 34.0454 175.5010 15 Q 4.7251 8.5576 126.3100 56.1277 29.8482 175.6394 16 F 4.9417 9.4102 125.6076 57.2715 43.1216 172.6400 17 F 4.3790 8.3424 129.0908 57.1983 40.3950 174.5885 18 V 3.6229 7.1145 125.8546 60.6080 34.3933 173.9049 19 S 4.5170 7.7717 121.6952 56.3058 63.9430 174.5290 20 F 4.4730 8.5912 126.9762 60.5363 39.4113 178.0523 21 K 4.3091 8.3285 120.8998 59.1160 31.8727 178.3010 22 D 4.3312 7.5502 117.8639 57.6268 40.8503 178.7893 23 I 3.6391 7.3559 118.9283 62.2706 36.9138 177.2159 24 G 3.9301 7.7146 107.1887 45.7629 0.0000 174.2945 25 W 4.7621 8.7495 117.7633 56.0350 29.5766 176.7039 26 N 4.8136 8.1980 117.7463 54.5034 36.9056 176.3307 27 D 4.5710 8.0295 121.2789 56.0055 40.2617 177.4554 28 W 4.6388 8.2803 119.7332 58.6863 29.5971 175.7009 29 I 4.6168 7.5948 119.4807 59.8298 36.7510 175.7756 30 I 3.9134 8.6071 127.7013 63.8898 37.3779 176.8692 31 A 4.6666 7.4586 120.9120 50.3030 21.7346 174.0686 32 P 4.9861 0.0000 0.0000 61.7852 32.8490 176.6368 33 S 4.4343 8.8980 112.1898 59.9654 63.2524 173.8602 34 G 3.4710 7.6654 108.2540 46.1694 0.0000 170.8444 35 Y 4.6085 6.2232 115.7164 56.5341 40.5683 173.7426 36 H 4.5338 8.8392 118.1754 54.8070 27.9374 175.1783 37 A 4.0218 7.6430 128.6900 52.4418 18.8412 177.7499 38 N 4.8433 8.0955 115.3166 53.2964 38.7059 172.3184 39 Y 4.9808 8.2929 115.4455 56.3974 41.9052 172.8989 40 C 5.1386 8.7701 117.6048 55.8460 39.8649 172.9640 41 E 4.7609 9.0458 123.1800 55.1850 33.2777 173.9900 42 G 4.5316 8.6524 110.5762 42.7448 0.0000 172.7774 43 E 4.1460 8.8811 120.8067 56.2032 29.9173 176.3236 44 C 5.2190 8.3175 119.8782 54.1194 43.1479 171.8540 45 P 4.5639 0.0000 0.0000 62.7881 31.6696 176.6626 46 S 4.7034 8.0179 115.8630 57.3927 65.3709 173.0197 47 H 4.3148 8.9023 113.9230 58.7009 28.5836 175.9006 48 I 3.6262 6.8145 120.3189 60.7056 37.1637 175.5802 49 A 4.0473 8.6940 129.1400 52.1578 18.5779 176.6882 50 G 4.2719 8.4507 111.3782 44.3029 0.0000 172.2156 51 T 4.4192 8.1390 111.7141 61.6396 68.4811 173.5060 *53 G 3.7170 7.8891 107.5833 44.9594 0.0000 172.3894 54 S 4.4493 8.2196 113.5626 56.6867 63.4731 173.8408 55 S 4.4079 8.3992 121.9296 57.0956 61.5677 173.5945 56 L 4.2438 8.1821 128.3245 54.0309 42.3611 177.9509 57 S 4.4691 8.3859 117.2366 57.7128 65.1858 175.0585 58 F 3.9354 8.8331 122.7630 62.0171 38.9696 176.4079 59 H 4.3234 8.4658 117.1260 59.4714 29.7701 177.2378 60 S 4.2485 8.0905 117.0588 61.5565 62.5932 176.8172 61 T 3.8623 7.8406 118.9165 66.3135 68.1186 176.8626 62 V 3.4954 7.7395 120.1577 66.0175 31.4887 178.0745 63 I 3.5084 7.6361 119.3276 64.4591 37.0005 177.7555 64 N 4.2182 8.5294 118.1739 57.0301 38.4155 175.9182 65 H 3.8727 7.9895 118.6142 59.7725 30.1338 176.3973 66 Y 4.0665 7.4061 116.6511 60.5037 37.5969 177.7357 67 R 4.0552 8.3008 120.0689 59.9872 30.0319 178.1055 68 M 4.4063 8.0179 115.1635 56.4977 31.9831 177.0333 69 R 4.4858 7.6762 118.9161 55.6762 30.9469 176.6916 70 G 4.1918 8.3989 103.5139 46.6464 0.0000 173.4530 71 H 4.6361 7.8041 119.8849 55.0641 30.6981 174.8055 72 S 4.8365 8.3598 122.6829 56.7931 64.3548 172.5150 73 P 4.3553 0.0000 0.0000 63.4865 32.0701 177.9598 74 F 4.2195 6.9565 118.6271 60.8867 39.0021 177.0397 75 A 4.5617 8.2772 122.0931 54.1247 18.1321 177.8102 76 N 4.9568 8.2341 110.0797 52.7957 39.7950 174.6211 77 L 4.4943 7.6018 119.9321 52.4562 41.4203 176.4324 78 K 4.0940 8.2878 124.4253 56.1569 32.8736 175.9720 79 S 4.4816 8.4765 118.0598 58.2362 63.0365 172.9413 80 C 4.8283 8.6780 124.7371 58.1414 30.9114 172.1158 81 C 4.9640 8.6748 122.5805 56.4428 45.1233 172.9421 82 V 4.7318 8.7488 118.4550 58.8599 36.5280 172.7844 83 P 4.8712 0.0000 0.0000 63.6133 31.0634 176.5929 84 T 4.5117 8.9010 113.9297 61.9420 70.8343 174.7249 85 K 4.6638 7.8909 123.2939 54.8117 35.6865 174.8703 86 L 5.5158 8.6707 125.9904 53.0915 45.6821 175.3695 87 R 4.8649 8.6578 115.7167 54.1820 33.3362 172.9821 88 P 5.2487 0.0000 0.0000 62.7907 33.2102 174.4946 89 M 4.8571 8.6695 117.9824 53.8628 36.1090 173.5916 90 S 4.8655 8.6729 119.2536 58.4717 63.4075 173.0647 91 M 4.9400 9.3608 126.5566 53.4133 36.0742 174.0326 92 L 5.1436 8.9972 124.9647 53.5900 44.2886 174.8093 93 Y 5.1920 8.4191 123.5242 55.9824 42.0398 173.1720 94 Y 4.9185 8.6579 118.8272 57.4784 39.2146 176.3591 95 D 4.7531 8.4631 124.0924 52.5971 41.8362 176.1705 96 D 4.3091 8.5893 117.0034 55.5259 39.8843 176.7468 97 G 3.9728 8.1322 108.0623 45.1743 0.0000 173.1755 98 Q 3.4567 7.4310 115.4445 56.4843 27.2468 173.6642 99 N 4.8634 8.4698 113.8598 52.2434 40.7553 175.0081 100 I 3.9055 8.2289 123.1411 61.2430 37.9164 175.3646 101 I 4.2290 8.3295 128.7995 58.9728 40.1164 174.4959 102 K 4.9267 8.3861 127.9890 54.5378 33.7648 175.0107 103 K 4.7171 8.9302 127.6369 54.9037 36.3291 174.5282 104 D 5.0222 8.7692 125.9986 54.3936 41.8079 175.5713 105 I 4.4279 9.0483 124.9547 59.5093 39.4825 175.8717 106 Q 4.3825 8.7485 126.1573 55.1720 30.1452 174.9630 107 N 4.2688 8.5327 114.0623 55.1658 36.1165 175.7168 108 M 4.5571 8.1218 117.8701 56.6128 33.8865 177.3897 109 I 4.8984 7.5555 118.8248 59.0190 40.7685 175.3084 110 V 4.0203 8.4860 127.8106 63.5696 31.2058 175.0647 111 E 4.4327 9.4071 129.8397 57.9666 30.6510 176.0931 112 E 4.8690 8.0078 116.7888 54.7670 34.1745 175.2719 113 C 5.5035 8.6117 119.2852 55.6465 44.7869 173.1579 114 G 4.1927 8.7274 107.3032 45.8279 0.0000 171.5074 115 C 5.3778 8.7487 117.9669 56.0291 41.6342 174.3213 116 S 4.4943 8.4726 116.4400 58.5890 62.5563 173.9400 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 G 8.35 3.89 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 0.00 0.00 0.00 2 L 8.29 4.55 0.00 1.68 1.58 0.92 0.54 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 3 E 9.13 4.85 0.00 1.69 1.66 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 2.11 1.87 0.00 4 C 8.34 4.47 0.00 2.81 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *6 G 8.38 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 0.00 0.00 0.00 7 K 8.70 3.88 0.00 1.92 1.93 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.40 7.81 8 V 7.07 4.14 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 0.99 0.00 0.00 1.00 0.00 0.00 9 N 8.00 4.74 0.00 2.80 3.02 0.00 0.00 6.09 7.58 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 10 I 7.24 4.40 1.86 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 1.11 0.44 0.91 0.00 0.00 11 C 8.23 4.17 0.00 3.13 3.07 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 0.00 0.00 0.00 0.00 12 C 9.36 4.99 0.00 2.97 3.08 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 13 K 8.34 4.60 0.00 1.87 1.70 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.35 7.81 14 K 8.75 4.45 0.00 1.24 0.74 0.00 1.44 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 1.32 7.81 15 Q 8.56 4.73 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.44 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 16 F 9.41 4.94 0.00 3.41 3.08 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 17 F 8.34 4.38 0.00 2.55 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 18 V 7.11 3.62 1.10 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 0.36 0.00 0.00 0.56 0.00 0.00 19 S 7.77 4.52 0.00 3.91 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 20 F 8.59 4.47 0.00 3.31 3.12 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 21 K 8.33 4.31 0.00 1.89 1.85 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.41 7.81 22 D 7.55 4.33 0.00 2.70 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 23 I 7.36 3.64 1.45 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.19 -0.66 0.00 0.00 24 G 7.71 3.93 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 0.00 0.00 0.00 25 W 8.75 4.76 0.00 3.30 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 26 N 8.20 4.81 0.00 3.06 3.23 0.00 0.00 5.94 8.07 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 27 D 8.03 4.57 0.00 3.03 2.94 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 0.00 0.00 0.00 28 W 8.28 4.64 0.00 3.34 3.21 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 29 I 7.59 4.62 1.79 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.40 0.83 0.00 0.00 30 I 8.61 3.91 1.83 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.01 0.87 0.00 0.00 31 A 7.46 4.67 1.26 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 0.00 0.00 0.00 32 P 0.00 4.99 0.00 2.57 2.23 0.00 3.97 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.13 0.00 33 S 8.90 4.43 0.00 4.17 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 34 G 7.67 3.47 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 0.00 35 Y 6.22 4.61 0.00 3.11 2.94 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 0.00 0.00 0.00 36 H 8.84 4.53 0.00 3.21 3.57 0.00 5.89 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 37 A 7.64 4.02 1.01 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 0.00 0.00 38 N 8.10 4.84 0.00 2.97 3.05 0.00 0.00 6.80 7.62 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 39 Y 8.29 4.98 0.00 3.02 2.94 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 0.00 0.00 0.00 40 C 8.77 5.14 0.00 2.92 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 9.05 4.76 0.00 2.15 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 2.24 2.35 0.00 42 G 8.65 4.53 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 0.00 0.00 0.00 43 E 8.88 4.15 0.00 2.21 1.88 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 2.32 2.32 0.00 44 C 8.32 5.22 0.00 3.09 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 45 P 0.00 4.56 0.00 2.04 1.97 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 46 S 8.02 4.70 0.00 3.93 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 47 H 8.90 4.31 0.00 3.29 3.48 0.00 5.53 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 48 I 6.81 3.63 1.78 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 1.11 0.16 0.87 0.00 0.00 49 A 8.69 4.05 1.23 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 0.00 0.00 50 G 8.45 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.14 4.42 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 *53 G 7.89 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 54 S 8.22 4.45 0.00 3.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.40 4.41 0.00 3.87 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 56 L 8.18 4.24 0.00 1.67 1.59 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.39 4.47 0.00 4.13 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 58 F 8.83 3.94 0.00 3.21 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.47 4.32 0.00 3.35 3.37 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.09 4.25 0.00 3.89 3.93 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 61 T 7.84 3.86 4.17 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 1.06 0.00 0.00 62 V 7.74 3.50 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 1.07 0.00 0.00 0.94 0.00 0.00 63 I 7.64 3.51 1.97 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.79 0.98 0.00 0.00 64 N 8.53 4.22 0.00 2.95 2.79 0.00 0.00 6.91 7.84 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 65 H 7.99 3.87 0.00 2.95 3.24 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.41 4.07 0.00 2.82 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 67 R 8.30 4.06 0.00 1.99 2.15 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 68 M 8.02 4.41 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 69 R 7.68 4.49 0.00 1.83 1.83 0.00 2.80 0.00 0.00 2.91 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.38 0.00 70 G 8.40 4.19 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 0.00 0.00 0.00 71 H 7.80 4.64 0.00 3.37 3.68 0.00 5.58 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.36 4.84 0.00 3.83 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 73 P 0.00 4.36 0.00 2.03 2.09 0.00 2.33 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 74 F 6.96 4.22 0.00 3.34 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 75 A 8.28 4.56 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 76 N 8.23 4.96 0.00 2.69 2.77 0.00 0.00 6.90 8.01 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 77 L 7.60 4.49 0.00 1.71 1.69 0.93 0.86 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 78 K 8.29 4.09 0.00 1.74 1.74 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.47 7.81 79 S 8.48 4.48 0.00 3.96 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 80 C 8.68 4.83 0.00 2.97 2.83 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 81 C 8.67 4.96 0.00 3.12 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 82 V 8.75 4.73 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 0.68 0.00 0.00 1.06 0.00 0.00 83 P 0.00 4.87 0.00 1.97 2.04 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 84 T 8.90 4.51 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 1.27 0.00 0.00 85 K 7.89 4.66 0.00 1.82 1.65 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.48 7.81 86 L 8.67 5.52 0.00 1.57 1.59 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.66 4.86 0.00 1.87 2.00 0.00 2.80 0.00 0.00 3.51 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 88 P 0.00 5.25 0.00 2.11 2.13 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 89 M 8.67 4.86 0.00 1.95 1.79 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 90 S 8.67 4.87 0.00 4.04 3.77 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 91 M 9.36 4.94 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 92 L 9.00 5.14 0.00 1.68 1.69 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.42 5.19 0.00 3.13 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 94 Y 8.66 4.92 0.00 2.82 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 95 D 8.46 4.75 0.00 2.90 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 96 D 8.59 4.31 0.00 2.68 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 97 G 8.13 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 98 Q 7.43 3.46 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.96 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 99 N 8.47 4.86 0.00 2.92 2.67 0.00 0.00 7.09 7.87 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 0.00 100 I 8.23 3.91 1.77 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 1.14 0.46 0.73 0.00 0.00 101 I 8.33 4.23 0.60 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 0.98 0.71 0.54 0.00 0.00 102 K 8.39 4.93 0.00 1.65 1.60 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.37 7.81 103 K 8.93 4.72 0.00 1.91 1.81 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.45 7.81 104 D 8.77 5.02 0.00 2.60 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 0.00 105 I 9.05 4.43 1.81 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 1.36 1.14 0.83 0.00 0.00 106 Q 8.75 4.38 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 107 N 8.53 4.27 0.00 2.91 2.95 0.00 0.00 6.84 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 0.00 108 M 8.12 4.56 0.00 1.78 2.20 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.51 0.00 109 I 7.56 4.90 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.00 1.08 0.00 0.00 110 V 8.49 4.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.01 0.00 0.00 111 E 9.41 4.43 0.00 1.98 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 2.29 2.35 0.00 112 E 8.01 4.87 0.00 1.91 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 0.00 2.38 2.33 0.00 113 C 8.61 5.50 0.00 2.81 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.73 4.19 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 0.00 0.00 0.00 115 C 8.75 5.38 0.00 2.89 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.47 4.49 0.00 3.95 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 * Residues marked with a * may have inaccurate shift predictions.