NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-4 H 4.7506 8.4449 117.3915 54.4509 30.9806 173.4844 -3 H 4.7105 8.0067 116.6505 55.3072 27.9691 175.5116 -2 H 5.0039 7.4063 115.9436 54.2136 31.5104 174.2274 -1 H 4.9784 7.4619 120.2671 54.7237 28.8299 174.1500 0 H 4.8341 7.6511 114.7971 54.6040 32.6498 173.5191 -1 D 4.8884 7.3819 122.4671 53.9237 40.9299 176.3500 0 F 4.7241 7.5311 116.8971 57.3040 43.2498 175.2191 5 D 4.3736 8.1980 122.8495 56.6001 40.7222 178.2257 6 F 4.2122 8.1621 113.3543 59.1842 37.9452 176.1940 7 L 3.8677 7.0673 120.4560 56.0940 41.9102 176.6166 8 E 3.9896 7.6506 119.6095 57.6332 29.5936 177.4162 9 G 3.9374 8.3761 112.2617 44.8590 0.0000 173.9741 10 K 4.3260 7.5721 119.8427 56.6549 33.0974 176.3009 11 R 5.2335 8.3413 118.4272 55.1956 33.1588 173.8372 12 L 4.6513 8.9089 120.5569 54.3908 46.0366 173.9819 13 T 5.2480 8.6046 121.7866 61.9417 71.6499 173.1075 14 E 4.8303 9.3061 124.2670 54.6679 34.4202 174.2070 15 D 5.1827 8.6613 121.9436 53.6908 42.2524 176.1233 16 V 4.5081 8.9356 122.9142 60.8462 34.9548 174.1911 17 A 4.6114 8.6837 129.4682 51.7145 19.6159 176.7235 18 L 4.4875 9.4332 124.0594 53.7225 42.8374 176.1309 19 D 4.9767 8.3629 124.1114 51.3814 41.5708 176.2307 20 E 4.0822 8.7767 118.6017 58.9477 30.0340 177.9883 21 T 4.1368 7.7861 111.4645 60.9700 67.5664 174.7377 *23 V 3.9989 7.4347 119.3963 62.0205 32.7722 175.1047 24 W 4.5054 9.3085 133.4498 57.5998 30.1614 175.1964 25 N 4.7630 8.4802 122.0930 52.4097 37.3668 175.3154 26 E 3.8463 7.7212 120.2973 58.7623 29.6875 176.2488 27 D 4.6010 6.5945 117.8640 51.9380 42.1093 175.3953 28 I 3.7396 8.2731 128.5068 64.5648 37.3397 178.3144 29 E 4.1754 7.6396 119.9221 56.1162 28.6869 178.0373 *31 L 4.3009 8.0215 120.3781 54.7974 43.7442 179.0859 32 D 4.5717 7.9737 115.8963 55.1850 39.7416 177.2845 33 L 3.8635 8.2375 119.4166 56.9156 42.7192 177.2789 34 H 4.1185 8.0880 114.3742 55.9354 27.6621 174.0970 35 L 4.6977 7.4104 124.7659 55.2535 43.4302 178.6943 36 V 4.2154 8.7893 122.6592 61.5242 32.4194 175.9375 37 A 4.2033 8.6453 125.2053 52.1903 19.4637 178.3078 38 T 3.7530 8.8363 118.8592 66.9935 68.5536 177.0308 39 S 4.0490 8.1470 115.1325 61.5392 62.7924 176.2627 40 A 3.9267 7.8957 123.6888 54.9260 18.2505 179.4450 41 L 3.8919 7.9093 117.5332 57.8405 41.5288 179.8210 42 I 3.5621 7.9124 120.0795 64.0436 36.9501 178.5143 43 G 3.5420 8.0971 106.7788 47.8039 0.0000 175.6614 44 V 3.5205 7.6917 120.9856 65.6371 31.2918 178.3023 45 V 3.5181 7.3873 116.3167 66.1967 31.7001 177.1006 46 H 3.8344 7.8071 116.1636 59.1731 28.5844 177.9317 47 R 3.9765 8.0623 119.4534 59.2056 29.7304 179.3663 48 V 3.6634 7.6242 118.6587 65.8504 31.4530 178.1987 49 S 3.9165 7.9603 114.1418 61.4723 62.6275 175.9749 50 Y 3.8626 7.9075 122.6383 60.3280 38.4275 177.1850 51 E 4.0054 8.0900 119.2868 59.1683 29.7328 178.2795 52 L 4.1884 8.1762 120.3597 58.4029 42.2409 179.0833 53 L 4.2408 8.1897 119.2562 57.6991 41.2887 179.5984 54 S 4.0192 7.6966 113.5236 61.3860 62.8395 176.6027 55 R 3.8842 7.3023 120.5197 58.1461 29.7342 176.7662 56 Y 4.8927 8.1469 113.7353 57.4601 40.1262 176.0768 57 L 4.3707 7.9382 120.2124 53.6779 42.5924 175.2272 58 P 4.5824 0.0000 0.0000 62.5130 31.9946 177.2462 59 N 4.4629 8.8868 117.7443 56.3463 38.6906 175.9194 60 D 4.7380 8.3460 115.7031 54.5306 41.5291 174.7968 61 Y 5.1244 8.0870 117.5310 56.6249 40.4519 175.0679 62 T 4.9603 8.8561 117.9121 60.5087 71.2485 172.0271 63 A 5.2021 8.6046 122.5177 50.8569 22.0424 176.3182 64 V 4.5540 8.7633 115.6804 59.1819 35.8371 175.4358 65 V 4.3045 8.4878 124.4300 63.3347 31.4853 175.8946 66 V 4.4856 8.8082 119.8661 61.3178 34.0031 175.3801 67 E 4.8233 8.0059 120.3308 55.3651 33.0165 173.4809 68 T 5.2817 8.2980 118.9000 60.9501 70.8063 172.3173 69 L 4.9638 9.3600 128.8659 53.4366 45.6143 174.9026 70 A 5.2033 8.6162 125.9444 50.5259 22.8422 175.1493 71 R 4.4812 9.0496 119.6725 54.6831 33.0780 174.6333 72 H 5.1280 8.9496 124.6625 55.1603 29.7201 174.1174 73 V 4.2571 8.7119 119.1821 61.4222 32.8255 176.5748 74 K 4.4867 7.8193 120.0353 54.2997 35.2049 175.1432 75 A 4.2663 8.4480 128.8370 51.8567 19.4499 177.0560 76 V 4.5857 7.9901 120.5518 59.3524 34.8811 173.4256 77 P 5.0489 0.0000 0.0000 62.2206 32.4131 175.9386 78 T 4.0689 8.8969 113.4728 62.2946 69.8261 174.8143 79 G 3.9482 9.5037 108.9531 45.6627 0.0000 173.2813 80 T 4.7337 7.5267 115.3260 61.5013 72.1485 172.7935 81 R 5.0014 8.4735 123.8479 55.0849 31.8976 175.6651 82 V 4.6622 8.8875 118.1180 59.3845 35.9599 174.2612 83 A 4.8381 8.4293 124.3589 51.1490 20.4749 176.3584 84 V 4.6212 9.2049 123.3737 61.0926 34.3475 174.4231 85 G 4.5810 8.9081 115.4520 44.5333 0.0000 172.1757 86 V 5.4038 9.1956 116.8662 59.4303 36.0796 174.9023 87 R 5.0970 9.0901 119.4225 54.5214 33.6353 174.2582 88 V 3.7308 8.7836 122.5356 62.8420 31.8667 176.5520 89 V 4.1147 8.1487 121.5655 61.5650 32.8357 176.2398 90 G 3.9589 7.0037 105.3570 45.5385 0.0000 172.6105 91 V 4.8373 8.3515 120.9962 60.8163 34.4802 175.2095 92 V 4.2406 8.7473 127.4212 61.5976 34.2553 175.4718 93 G 4.0683 8.3179 119.0519 47.2829 0.0000 172.5910 94 N 4.7877 8.8543 121.7574 52.4604 37.5033 173.6044 95 R 4.9156 8.1628 119.4896 55.1374 32.2336 175.2389 96 V 4.4538 8.8911 124.9480 60.8612 33.8759 173.9706 97 K 4.8005 8.8869 129.9677 54.8681 34.1066 174.9690 98 F 5.1199 8.9767 125.6310 55.6487 42.4939 174.3300 99 R 5.0992 8.6578 120.5309 54.5743 32.7770 175.5416 100 G 4.7095 9.3338 109.4163 44.6157 0.0000 171.2757 101 I 5.1518 8.8440 121.8725 59.0924 42.0120 174.2761 102 V 4.8243 8.7194 127.9535 60.1238 35.4173 174.4053 *104 S 4.4543 8.4390 115.9456 58.4277 63.5538 175.0772 105 G 3.8773 8.5154 119.6426 47.1530 0.0000 172.9449 106 D 4.8050 9.1032 121.9197 53.6189 41.5513 175.3509 107 E 4.3643 8.1629 120.3365 54.8552 30.4627 175.9576 108 K 4.1706 8.5498 125.1605 56.4743 33.2011 175.8646 109 I 4.2725 9.0732 127.5007 62.8728 38.9001 175.5606 110 L 5.2254 7.6378 122.4744 53.3351 45.7262 174.2129 111 E 5.3597 9.1366 122.3927 54.7142 32.9892 174.5120 112 A 5.2880 9.0398 121.9211 50.6947 23.5695 174.5893 113 E 5.2504 9.4702 120.1836 54.6578 33.4005 174.4243 114 F 5.4217 8.7836 120.2981 56.0384 42.2763 172.9603 115 V 4.9699 9.2769 119.2687 61.3539 34.4968 174.1698 116 R 5.1468 9.2008 126.9567 54.6761 32.6409 175.1296 117 A 4.8483 9.1027 125.9704 51.1195 20.4930 176.1889 118 I 4.6131 8.4155 124.9989 60.2041 38.0123 175.7932 119 V 4.6223 8.7735 126.9287 60.1387 35.3270 173.1890 120 P 4.3556 0.0000 0.0000 62.5572 32.0225 177.5252 121 R 3.9410 8.9468 122.5676 59.2971 29.9805 179.1188 122 E 3.9154 8.1480 116.8938 59.5169 29.2860 179.1938 123 K 3.8878 7.8232 120.1090 58.9196 32.3425 178.3630 124 L 3.9170 7.8176 120.6500 58.0616 41.9860 178.8209 125 R 3.8662 8.3099 118.9957 59.5316 29.8040 178.6382 126 R 3.8988 7.7643 116.3752 59.2909 30.2547 178.7570 127 L 4.1172 8.1386 118.5391 57.8412 41.4298 179.4675 128 A 4.0110 8.1695 119.8012 54.7676 18.4042 178.8467 129 L 4.2863 7.6723 114.9308 55.5534 42.1663 177.1235 130 E 4.2544 7.7701 124.6833 56.4157 29.7733 175.5904 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 H 8.44 4.75 0.00 2.95 3.05 0.00 7.16 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.01 4.71 0.00 3.18 3.55 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 7.41 5.00 0.00 3.13 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 7.46 4.98 0.00 3.14 3.22 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.65 4.83 0.00 3.18 3.46 0.00 5.93 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 D 7.38 4.89 0.00 2.57 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 0 F 7.53 4.72 0.00 3.03 3.34 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 5 D 8.20 4.37 0.00 2.80 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 6 F 8.16 4.21 0.00 3.02 3.13 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 7 L 7.07 3.87 0.00 1.43 1.43 0.61 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.65 3.99 0.00 1.98 1.80 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 2.20 2.10 0.00 9 G 8.38 3.94 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 0.00 0.00 0.00 10 K 7.57 4.33 0.00 1.65 1.75 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 0.98 7.81 11 R 8.34 5.23 0.00 1.88 1.87 0.00 3.06 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 12 L 8.91 4.65 0.00 1.84 1.57 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.60 5.25 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 1.23 0.00 0.00 14 E 9.31 4.83 0.00 1.85 1.78 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 2.23 2.29 0.00 15 D 8.66 5.18 0.00 2.57 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 16 V 8.94 4.51 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 0.96 0.00 0.00 0.93 0.00 0.00 17 A 8.68 4.61 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 18 L 9.43 4.49 0.00 1.59 1.64 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.36 4.98 0.00 2.64 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 20 E 8.78 4.08 0.00 1.92 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 2.27 2.35 0.00 21 T 7.79 4.14 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 1.25 0.00 0.00 *23 V 7.43 4.00 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 0.75 0.00 0.00 1.07 0.00 0.00 24 W 9.31 4.51 0.00 3.16 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.48 4.76 0.00 2.69 2.76 0.00 0.00 6.32 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 26 E 7.72 3.85 0.00 1.96 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 2.40 2.45 0.00 27 D 6.59 4.60 0.00 2.28 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 0.00 0.00 0.00 28 I 8.27 3.74 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.85 0.00 0.00 29 E 7.64 4.18 0.00 2.05 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 2.31 2.23 0.00 *31 L 8.02 4.30 0.00 1.76 1.70 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.97 4.57 0.00 2.80 2.80 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 33 L 8.24 3.86 0.00 1.73 1.81 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.09 4.12 0.00 3.50 3.81 0.00 5.46 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.41 4.70 0.00 1.94 1.70 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.79 4.22 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 0.67 0.00 0.00 0.94 0.00 0.00 37 A 8.65 4.20 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 38 T 8.84 3.75 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 1.19 0.00 0.00 39 S 8.15 4.05 0.00 4.02 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 40 A 7.90 3.93 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 41 L 7.91 3.89 0.00 1.76 1.61 0.69 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.91 3.56 1.88 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 1.31 0.71 0.55 0.00 0.00 43 G 8.10 3.54 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 0.00 0.00 0.00 44 V 7.69 3.52 2.18 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 0.95 0.00 0.00 0.92 0.00 0.00 45 V 7.39 3.52 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 0.86 0.00 0.00 0.89 0.00 0.00 46 H 7.81 3.83 0.00 3.16 3.16 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.06 3.98 0.00 1.82 1.97 0.00 3.08 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 48 V 7.62 3.66 2.23 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 1.17 0.00 0.00 0.97 0.00 0.00 49 S 7.96 3.92 0.00 2.72 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 50 Y 7.91 3.86 0.00 3.04 3.13 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 51 E 8.09 4.01 0.00 2.08 2.15 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 2.57 2.40 0.00 52 L 8.18 4.19 0.00 1.95 1.98 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.19 4.24 0.00 1.55 1.64 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.70 4.02 0.00 3.92 3.68 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 55 R 7.30 3.88 0.00 0.96 1.46 0.00 3.18 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 56 Y 8.15 4.89 0.00 3.13 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 57 L 7.94 4.37 0.00 1.70 1.73 0.90 1.00 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 58 P 0.00 4.58 0.00 2.46 2.08 0.00 3.72 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 59 N 8.89 4.46 0.00 2.79 2.95 0.00 0.00 6.93 8.06 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 60 D 8.35 4.74 0.00 2.66 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 61 Y 8.09 5.12 0.00 3.04 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 62 T 8.86 4.96 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 1.35 0.00 0.00 63 A 8.60 5.20 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 64 V 8.76 4.55 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 0.69 0.00 0.00 0.96 0.00 0.00 65 V 8.49 4.30 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 0.73 0.00 0.00 0.71 0.00 0.00 66 V 8.81 4.49 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 0.79 0.00 0.00 1.00 0.00 0.00 67 E 8.01 4.82 0.00 2.04 1.78 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 2.33 2.34 0.00 68 T 8.30 5.28 4.35 0.00 0.00 0.00 0.00 0.00 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 69 L 9.36 4.96 0.00 1.78 1.68 0.94 1.07 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 70 A 8.62 5.20 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 9.05 4.48 0.00 1.73 1.82 0.00 3.10 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 72 H 8.95 5.13 0.00 3.07 3.13 0.00 5.73 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.71 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 0.69 0.00 0.00 1.02 0.00 0.00 74 K 7.82 4.49 0.00 1.75 1.61 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.41 7.81 75 A 8.45 4.27 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.99 4.59 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 0.84 0.00 0.00 0.94 0.00 0.00 77 P 0.00 5.05 0.00 1.96 2.04 0.00 3.69 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 2.02 2.06 0.00 78 T 8.90 4.07 4.29 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 1.37 0.00 0.00 79 G 9.50 3.95 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 0.00 0.00 0.00 80 T 7.53 4.73 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 1.22 0.00 0.00 81 R 8.47 5.00 0.00 1.81 1.81 0.00 3.18 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 82 V 8.89 4.66 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 0.64 0.00 0.00 0.99 0.00 0.00 83 A 8.43 4.84 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 84 V 9.20 4.62 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 1.03 0.00 0.00 0.92 0.00 0.00 85 G 8.91 4.58 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 0.00 86 V 9.20 5.40 2.26 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 0.94 0.00 0.00 1.07 0.00 0.00 87 R 9.09 5.10 0.00 1.80 1.99 0.00 2.76 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 88 V 8.78 3.73 1.93 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 0.56 0.00 0.00 0.46 0.00 0.00 89 V 8.15 4.11 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 0.69 0.00 0.00 0.86 0.00 0.00 90 G 7.00 3.96 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 0.00 0.00 0.00 91 V 8.35 4.84 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 0.82 0.00 0.00 0.71 0.00 0.00 92 V 8.75 4.24 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 1.00 0.00 0.00 0.89 0.00 0.00 93 G 8.32 4.07 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 0.00 0.00 0.00 94 N 8.85 4.79 0.00 2.98 3.23 0.00 0.00 5.86 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 95 R 8.16 4.92 0.00 1.86 1.85 0.00 3.24 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 96 V 8.89 4.45 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 0.30 0.00 0.00 0.68 0.00 0.00 97 K 8.89 4.80 0.00 1.70 1.59 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.23 1.32 7.81 98 F 8.98 5.12 0.00 1.51 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 99 R 8.66 5.10 0.00 1.75 1.83 0.00 3.05 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 1.58 1.55 0.00 100 G 9.33 4.71 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 0.00 0.00 0.00 101 I 8.84 5.15 1.90 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 1.13 1.34 0.98 0.00 0.00 102 V 8.72 4.82 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 0.90 0.00 0.00 0.89 0.00 0.00 *104 S 8.44 4.45 0.00 3.92 3.81 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 0.00 105 G 8.52 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 0.00 0.00 0.00 106 D 9.10 4.81 0.00 2.92 2.69 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 0.00 107 E 8.16 4.36 0.00 2.04 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 2.30 2.38 0.00 108 K 8.55 4.17 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 109 I 9.07 4.27 1.95 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 1.11 0.73 0.96 0.00 0.00 110 L 7.64 5.23 0.00 1.53 1.36 0.76 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.14 5.36 0.00 2.08 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 2.18 2.24 0.00 112 A 9.04 5.29 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 0.00 113 E 9.47 5.25 0.00 2.04 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 2.32 0.00 114 F 8.78 5.42 0.00 3.26 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 0.00 115 V 9.28 4.97 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 1.07 0.00 0.00 0.96 0.00 0.00 116 R 9.20 5.15 0.00 2.05 1.92 0.00 3.29 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 117 A 9.10 4.85 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 0.00 118 I 8.42 4.61 0.96 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 0.82 0.31 0.55 0.00 0.00 119 V 8.77 4.62 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 1.07 0.00 0.00 0.96 0.00 0.00 120 P 0.00 4.36 0.00 1.94 1.49 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 121 R 8.95 3.94 0.00 1.83 1.99 0.00 3.18 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 1.69 1.69 0.00 122 E 8.15 3.92 0.00 2.16 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 2.29 2.32 0.00 123 K 7.82 3.89 0.00 1.80 1.92 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.54 7.81 124 L 7.82 3.92 0.00 1.82 1.78 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.31 3.87 0.00 1.92 2.14 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 126 R 7.76 3.90 0.00 2.06 1.97 0.00 3.21 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 127 L 8.14 4.12 0.00 1.82 1.72 0.93 0.62 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 0.00 128 A 8.17 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 4.29 0.00 1.69 1.72 0.92 0.96 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 0.00 130 E 7.77 4.25 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.