NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 3.5475 8.4045 120.2830 54.9500 33.2168 174.9886 6 R 4.2561 8.4162 124.9403 52.9586 31.3786 166.8943 7 V 3.5504 8.3237 122.5112 63.8248 32.5896 175.8388 8 G 3.9509 8.9704 116.2946 44.7578 0.0000 173.2246 9 E 4.1000 8.2502 122.1359 56.8606 30.4615 175.9102 10 R 5.4644 8.7497 124.7590 54.5158 33.5508 174.8777 11 F 5.1325 9.3849 123.6999 56.8765 43.0642 173.3152 12 T 4.7078 7.8529 121.5607 61.7807 70.9396 172.9961 13 H 4.4375 8.7658 125.8402 54.3944 32.4064 171.9224 14 D 5.2156 8.5671 125.5372 53.1889 42.8950 176.3523 15 F 4.6505 8.8441 124.7521 56.8651 42.7038 173.4962 16 V 3.7832 7.9440 127.4420 62.5864 32.1394 175.4891 17 V 3.3440 8.4157 129.6925 61.8471 32.3586 174.2839 18 P 4.6522 0.0000 0.0000 60.8272 32.7670 175.0534 19 P 4.2560 0.0000 0.0000 65.0929 31.2651 177.0394 20 H 4.3107 7.7976 112.5701 55.2005 28.8245 175.3539 21 K 3.7612 7.5385 119.3201 56.6820 32.7256 176.3903 22 T 5.1801 7.7550 107.6535 59.5495 71.1390 175.6990 23 V 3.2115 8.4158 121.4038 66.2153 31.4828 178.2856 24 R 3.9994 7.6610 114.9768 59.0632 29.0071 177.8054 25 H 4.6599 8.0285 115.6063 57.2733 29.0873 176.8717 26 L 4.0640 7.5721 122.2456 56.8172 43.1211 176.4590 27 Y 4.5690 7.3982 116.4404 55.2445 38.8172 173.6582 28 P 4.6278 0.0000 0.0000 64.3492 31.9205 177.9156 29 E 4.0559 8.3498 116.6114 58.0618 29.5654 176.4029 30 S 4.6050 7.8085 114.1814 55.8877 62.8893 172.1630 31 P 4.4606 0.0000 0.0000 65.4112 31.4566 178.6969 32 E 4.1012 8.0588 116.7793 58.6008 29.6926 177.5322 33 F 4.6434 7.8937 115.6100 57.5675 40.0328 177.5107 34 A 4.0769 7.7188 122.4106 55.1355 18.1168 178.1414 35 E 4.6200 8.2246 111.7865 56.2165 29.7838 176.3450 36 F 4.2090 8.3151 118.2562 56.3549 39.5821 173.5083 37 P 4.3554 0.0000 0.0000 63.5820 31.8683 177.2950 38 E 4.5053 8.4684 122.0394 55.2251 28.1247 175.8369 39 V 4.8108 7.2788 113.9261 58.6436 36.7310 175.1550 40 F 4.8581 9.3760 125.2700 59.2663 39.5719 175.2066 41 A 4.1899 8.9738 127.9699 52.0579 19.2957 178.5576 42 T 3.7819 8.6363 117.2388 66.7109 68.6461 177.5869 43 G 3.5337 7.7719 107.0576 47.5621 0.0000 175.6658 44 F 4.3260 7.5474 119.6250 60.3978 38.9213 177.2889 45 M 3.9327 7.5804 118.1624 58.5154 31.9934 178.3960 46 V 3.6094 8.1277 118.9647 66.0461 31.7093 178.2761 47 G 3.5976 8.1001 105.4113 47.6229 0.0000 175.4777 48 L 4.2101 8.2848 122.9522 58.2520 42.2232 179.0049 49 M 4.0319 8.3109 118.9065 58.3980 31.8425 178.5636 50 E 3.8523 8.2882 118.8366 59.0200 29.5935 179.2734 51 W 4.2414 8.4209 128.2545 60.2518 30.8000 177.5456 52 A 4.1573 8.2291 120.9970 55.9688 17.7812 179.5873 53 C 3.0478 7.7163 114.1969 62.2541 27.7213 176.4940 54 V 3.5706 7.8520 119.7348 66.1224 31.2709 178.0627 55 R 3.9628 8.0216 117.5338 59.0291 29.6397 178.7257 56 A 3.6855 7.3952 119.9557 54.8115 18.6798 178.7292 57 M 4.6269 7.9048 112.9772 56.0392 32.0905 178.0634 58 A 4.0126 7.5438 123.5100 54.9022 18.4085 177.4426 59 P 4.3133 0.0000 0.0000 64.5701 31.4178 176.2522 60 Y 4.6814 7.5664 115.0812 57.6981 38.7565 175.7824 61 L 4.4500 7.7221 120.3101 54.4609 42.6755 176.6493 62 E 4.4563 9.0327 121.6692 54.2538 30.8462 174.2376 63 P 4.3358 0.0000 0.0000 64.7670 31.7237 177.2690 64 G 3.9740 9.0258 110.1536 45.4383 0.0000 172.5821 65 E 4.8990 7.9503 119.3623 55.3098 31.0788 175.8327 66 G 4.3825 8.6871 109.0245 45.3349 0.0000 171.0523 67 S 5.2007 8.3850 112.3164 57.1388 66.2757 173.3790 68 L 4.8054 8.7289 119.8382 52.6135 45.9928 176.2501 69 G 4.2612 8.7442 109.2572 46.7123 0.0000 173.4197 70 T 4.8562 9.1348 113.0430 61.2281 70.8515 173.7470 71 A 4.7982 7.7252 122.7393 50.7248 22.9417 174.7465 72 I 5.0759 8.2448 119.4632 59.4993 41.4133 174.2725 73 C 4.7016 9.2231 129.0622 58.2487 34.2239 172.8774 74 V 5.1533 8.3222 118.3855 60.1825 36.0016 174.6284 75 T 4.5762 8.5761 112.4468 60.6494 71.5024 173.4211 76 H 5.0622 8.8365 123.0688 55.1792 30.9830 172.9247 77 T 4.6414 9.7033 116.7878 61.7195 69.8966 174.3877 78 A 4.6188 7.9128 123.0536 50.8344 22.2622 174.7083 79 A 4.7322 8.3545 121.3883 50.9379 21.0625 177.0093 80 T 4.6560 8.4363 117.6697 61.0519 71.7053 172.0404 81 P 4.8123 0.0000 0.0000 61.2288 33.2828 174.0532 82 P 4.2887 0.0000 0.0000 64.6481 31.6952 176.4294 83 G 3.9547 9.0659 110.3087 45.2245 0.0000 174.1240 84 L 4.2757 7.1646 118.7857 54.5593 43.6741 176.4276 85 T 4.5796 8.1707 118.1536 62.5743 69.9012 174.0781 86 V 4.2864 8.5344 128.3869 62.4876 33.1188 174.7278 87 T 4.7299 8.7495 125.6253 61.9720 70.4342 173.5694 88 V 4.6710 8.5133 127.5784 61.7051 33.6113 174.4882 89 T 4.9837 8.9454 124.5773 61.7596 71.0667 173.2143 90 A 5.2399 9.1241 127.9660 50.1511 21.9767 174.3237 91 E 5.1945 9.8282 124.6599 54.1122 32.6066 174.9072 92 L 3.6087 9.0362 130.1654 55.3608 42.4904 177.1153 93 R 4.4402 9.0542 125.7625 57.3279 32.2660 176.6722 94 S 4.5741 7.4102 111.0692 56.8465 66.8009 173.8933 95 V 4.9288 8.2289 122.8900 61.1071 33.7658 175.1733 96 E 4.5554 8.8604 124.6906 55.5884 32.7390 172.8457 97 G 4.0649 8.5735 118.0366 45.8378 0.0000 176.2989 98 R 4.2190 8.7412 126.4203 57.1299 30.0726 175.6343 99 R 5.0220 7.7287 117.6957 56.5516 31.1087 180.8809 100 L 5.0052 9.0092 124.5110 51.8838 45.2416 175.4881 101 S 5.1342 8.5989 117.0275 56.2879 65.4733 172.5175 102 W 5.1998 9.5505 126.9047 54.8248 32.3013 174.6562 103 R 4.7210 9.2638 125.3306 55.9313 31.0085 175.4119 104 V 5.2074 8.7334 119.6571 59.8045 35.1136 174.8588 105 S 5.1871 9.1738 117.5804 57.1874 67.1333 172.6024 106 A 5.3426 9.2550 122.1486 50.6863 22.6500 174.9030 107 H 5.3919 9.0096 116.3135 53.5197 32.4604 173.4365 108 D 5.2404 8.3637 117.6428 52.4109 39.4446 178.4103 109 G 4.0128 8.7442 109.4745 46.0336 0.0000 174.6030 110 V 4.1933 7.7129 116.4118 63.8842 33.2858 175.3043 111 D 4.9526 8.9948 118.8487 51.7924 44.4331 175.0851 112 E 4.4999 8.8876 122.0083 57.1690 29.9420 176.8859 113 I 4.5035 8.9169 116.2948 60.1839 40.3472 175.5114 114 G 4.7375 7.9068 110.4505 46.5130 0.0000 171.2981 115 S 5.0645 7.1554 112.0830 56.7857 66.6577 174.9677 116 G 4.2545 7.4974 107.0966 46.6528 0.0000 171.4058 117 T 5.3443 8.3217 112.0734 60.2810 72.8344 173.0957 118 H 5.5162 9.4958 122.4892 54.6527 33.6977 171.7346 119 E 5.3474 9.0020 123.9654 54.7454 32.7733 175.2349 120 R 5.1931 9.3615 121.1612 54.3656 35.0803 173.9270 121 A 5.1498 8.5374 122.6238 49.9834 21.7783 176.0253 122 V 4.2867 8.6360 123.6777 62.7662 32.3490 175.3933 123 I 4.6842 8.8977 123.1863 59.8411 41.3669 175.3256 *124 H 4.7441 8.6910 120.6590 53.6942 27.9223 176.6139 125 L 4.1294 8.9357 127.2648 57.1883 41.5270 179.7374 126 E 3.9833 8.1563 117.8057 59.1615 29.5173 179.1032 127 K 3.8878 8.0385 119.1265 59.4660 32.3104 178.2233 128 F 4.0467 8.4268 120.9281 61.6067 39.2992 176.7836 129 N 4.2372 8.6928 115.9613 56.0945 38.3554 177.2204 130 A 3.9182 7.9377 122.0471 55.0966 18.3007 179.4493 131 K 4.0298 7.5705 116.8286 59.0612 32.3681 179.2561 132 V 3.5028 7.4720 118.0954 65.9331 31.5100 177.9606 133 R 4.0681 8.2783 119.4816 58.7135 29.8241 178.9763 134 Q 4.0752 8.1389 117.0069 58.1476 28.3424 177.5553 135 K 4.4616 7.4032 118.2035 55.8815 33.5349 176.6655 136 T 3.9532 7.2777 119.1349 62.8644 68.9033 172.7095 137 P 4.4052 0.0000 0.0000 63.0640 31.2900 176.0990 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 5 M 8.40 3.55 0.00 1.41 0.57 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 6 R 8.42 4.26 0.00 1.75 1.77 0.00 3.36 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 7 V 8.32 3.55 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 0.91 0.00 0.00 0.80 0.00 0.00 8 G 8.97 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 9 E 8.25 4.10 0.00 2.29 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 2.47 2.41 0.00 10 R 8.75 5.46 0.00 1.78 1.87 0.00 3.24 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 11 F 9.38 5.13 0.00 3.13 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 12 T 7.85 4.71 4.01 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 1.06 0.00 0.00 13 H 8.77 4.44 0.00 2.72 2.80 0.00 5.57 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.57 5.22 0.00 2.53 2.49 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 15 F 8.84 4.65 0.00 2.72 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 16 V 7.94 3.78 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 0.57 0.00 0.00 0.77 0.00 0.00 17 V 8.42 3.34 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 0.68 0.00 0.00 0.28 0.00 0.00 18 P 0.00 4.65 0.00 2.01 2.00 0.00 3.57 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 19 P 0.00 4.26 0.00 2.05 2.15 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 20 H 7.80 4.31 0.00 3.06 3.21 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.54 3.76 0.00 1.78 1.83 0.00 0.67 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.09 1.59 7.81 22 T 7.76 5.18 4.37 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 1.40 0.00 0.00 23 V 8.42 3.21 2.04 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 0.08 0.00 0.00 1.03 0.00 0.00 24 R 7.66 4.00 0.00 1.92 2.38 0.00 2.95 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 25 H 8.03 4.66 0.00 3.53 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.57 4.06 0.00 1.21 1.62 -0.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.40 4.57 0.00 3.25 2.98 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 28 P 0.00 4.63 0.00 2.08 2.15 0.00 3.73 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 29 E 8.35 4.06 0.00 2.12 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 2.40 2.42 0.00 30 S 7.81 4.60 0.00 3.86 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 31 P 0.00 4.46 0.00 2.21 2.09 0.00 3.59 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 32 E 8.06 4.10 0.00 1.54 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 2.19 2.33 0.00 33 F 7.89 4.64 0.00 3.01 2.63 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 0.00 0.00 0.00 0.00 34 A 7.72 4.08 1.43 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 0.00 0.00 35 E 8.22 4.62 0.00 2.06 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 0.00 2.33 2.31 0.00 36 F 8.32 4.21 0.00 3.25 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 37 P 0.00 4.36 0.00 2.09 2.03 0.00 3.57 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 38 E 8.47 4.51 0.00 2.00 1.97 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 2.35 2.32 0.00 39 V 7.28 4.81 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 1.06 0.00 0.00 1.02 0.00 0.00 40 F 9.38 4.86 0.00 3.00 3.14 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 41 A 8.97 4.19 1.19 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 42 T 8.64 3.78 4.20 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 1.18 0.00 0.00 43 G 7.77 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 0.00 0.00 0.00 44 F 7.55 4.33 0.00 2.84 2.93 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 45 M 7.58 3.93 0.00 1.95 1.69 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.52 0.00 46 V 8.13 3.61 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 0.89 0.00 0.00 0.91 0.00 0.00 47 G 8.10 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 L 8.28 4.21 0.00 1.90 1.99 0.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 M 8.31 4.03 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 50 E 8.29 3.85 0.00 2.15 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 1.95 2.41 0.00 51 W 8.42 4.24 0.00 3.52 3.28 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 52 A 8.23 4.16 1.37 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 0.00 0.00 53 C 7.72 3.05 0.00 2.52 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 54 V 7.85 3.57 2.36 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 0.86 0.00 0.00 0.95 0.00 0.00 55 R 8.02 3.96 0.00 1.80 1.59 0.00 2.99 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 56 A 7.40 3.69 1.31 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 57 M 7.90 4.63 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.87 0.00 58 A 7.54 4.01 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 59 P 0.00 4.31 0.00 1.60 1.94 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.87 0.00 60 Y 7.57 4.68 0.00 3.01 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 61 L 7.72 4.45 0.00 1.70 1.62 1.00 0.72 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 62 E 9.03 4.46 0.00 2.01 1.87 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 2.32 2.43 0.00 63 P 0.00 4.34 0.00 2.04 2.03 0.00 3.72 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 2.04 2.12 0.00 64 G 9.03 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 65 E 7.95 4.90 0.00 2.13 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 2.26 0.00 66 G 8.69 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.38 5.20 0.00 3.95 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 68 L 8.73 4.81 0.00 1.45 1.45 0.39 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.74 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 0.00 0.00 0.00 0.00 70 T 9.13 4.86 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 1.22 0.00 0.00 71 A 7.73 4.80 1.24 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 0.00 0.00 72 I 8.24 5.08 1.91 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 1.21 0.87 0.92 0.00 0.00 73 C 9.22 4.70 0.00 3.02 2.76 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 74 V 8.32 5.15 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 0.79 0.00 0.00 0.92 0.00 0.00 75 T 8.58 4.58 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 76 H 8.84 5.06 0.00 3.13 3.25 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.70 4.64 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 1.25 0.00 0.00 78 A 7.91 4.62 1.29 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 0.00 0.00 79 A 8.35 4.73 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 80 T 8.44 4.66 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 1.17 0.00 0.00 81 P 0.00 4.81 0.00 2.11 2.18 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 82 P 0.00 4.29 0.00 2.03 2.10 0.00 3.97 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 2.03 2.00 0.00 83 G 9.07 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 84 L 7.16 4.28 0.00 1.65 1.65 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.17 4.58 4.16 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 1.12 0.00 0.00 86 V 8.53 4.29 1.99 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 1.05 0.00 0.00 0.67 0.00 0.00 87 T 8.75 4.73 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 1.12 0.00 0.00 88 V 8.51 4.67 1.95 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 1.00 0.00 0.00 0.89 0.00 0.00 89 T 8.95 4.98 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 1.24 0.00 0.00 90 A 9.12 5.24 1.24 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 0.00 0.00 91 E 9.83 5.19 0.00 2.09 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 2.22 2.25 0.00 92 L 9.04 3.61 0.00 0.95 1.17 -0.44 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 93 R 9.05 4.44 0.00 1.75 1.89 0.00 3.35 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 94 S 7.41 4.57 0.00 3.76 3.82 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 0.00 0.00 0.00 95 V 8.23 4.93 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 1.06 0.00 0.00 0.71 0.00 0.00 96 E 8.86 4.56 0.00 1.98 1.70 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 2.10 1.83 0.00 97 G 8.57 4.06 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 0.00 0.00 0.00 98 R 8.74 4.22 0.00 1.75 1.93 0.00 3.24 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.18 0.00 99 R 7.73 5.02 0.00 1.49 1.84 0.00 3.16 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.22 0.00 100 L 9.01 5.01 0.00 1.64 1.18 0.99 0.50 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 0.00 101 S 8.60 5.13 0.00 3.82 3.58 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 0.00 102 W 9.55 5.20 0.00 3.33 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 0.00 103 R 9.26 4.72 0.00 1.96 1.88 0.00 3.12 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 104 V 8.73 5.21 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 0.86 0.00 0.00 1.02 0.00 0.00 105 S 9.17 5.19 0.00 3.85 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 0.00 106 A 9.26 5.34 1.24 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 0.00 0.00 107 H 9.01 5.39 0.00 3.28 3.55 0.00 5.23 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 0.00 108 D 8.36 5.24 0.00 2.88 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 0.00 109 G 8.74 4.01 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 0.00 110 V 7.71 4.19 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 0.83 0.00 0.00 0.93 0.00 0.00 111 D 8.99 4.95 0.00 2.67 2.51 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 0.00 0.00 0.00 0.00 112 E 8.89 4.50 0.00 1.98 1.95 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 2.33 2.27 0.00 113 I 8.92 4.50 2.14 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.02 1.05 0.00 0.00 114 G 7.91 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.16 5.06 0.00 3.96 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 0.00 116 G 7.50 4.25 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 0.00 117 T 8.32 5.34 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 1.26 0.00 0.00 118 H 9.50 5.52 0.00 3.22 3.23 0.00 5.54 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 0.00 119 E 9.00 5.35 0.00 1.95 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 2.25 2.28 0.00 120 R 9.36 5.19 0.00 1.83 1.88 0.00 3.07 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 121 A 8.54 5.15 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 0.00 122 V 8.64 4.29 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 0.87 0.00 0.00 1.03 0.00 0.00 123 I 8.90 4.68 1.81 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 0.95 0.44 0.75 0.00 0.00 *124 H 8.69 4.74 0.00 2.86 3.02 0.00 7.20 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.94 4.13 0.00 1.85 1.80 0.92 0.97 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 0.00 126 E 8.16 3.98 0.00 2.08 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 2.42 2.45 0.00 127 K 8.04 3.89 0.00 1.86 2.02 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.52 7.81 128 F 8.43 4.05 0.00 3.24 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 0.00 129 N 8.69 4.24 0.00 2.89 2.88 0.00 0.00 6.98 7.96 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 0.00 130 A 7.94 3.92 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 0.00 131 K 7.57 4.03 0.00 1.83 1.65 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.28 7.81 132 V 7.47 3.50 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 0.95 0.00 0.00 0.27 0.00 0.00 133 R 8.28 4.07 0.00 2.04 1.95 0.00 3.34 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 134 Q 8.14 4.08 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.27 0.00 135 K 7.40 4.46 0.00 1.86 1.91 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.41 7.81 136 T 7.28 3.95 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 1.20 0.00 0.00 137 P 0.00 4.41 0.00 2.17 2.03 0.00 3.78 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 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.