NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7506 8.1400 114.7391 57.7597 63.3524 174.2991 2 L 3.9477 8.5434 127.1674 57.7559 41.6095 178.7917 3 F 4.0073 9.3223 119.3307 60.7940 39.3710 177.1292 4 E 4.1139 8.2726 117.3937 59.0831 29.1961 179.0818 5 L 4.2188 8.1992 121.0301 58.0070 41.9342 179.1580 6 G 3.5848 7.7364 104.3371 47.0768 0.0000 175.5491 7 K 4.1003 7.8574 122.1551 59.8130 32.3307 178.7168 8 M 4.0648 8.0492 118.8716 58.6227 32.0744 178.8855 9 I 3.7179 7.9939 119.5286 63.6593 37.1366 178.0990 10 L 4.0784 7.4728 121.7856 57.8961 41.8530 178.6324 11 Q 3.9970 7.7041 116.7050 57.9321 28.5062 177.8899 12 E 4.3769 7.8461 118.4403 59.1304 30.2757 177.7514 13 T 3.9609 7.3846 113.2798 64.3918 68.8061 176.0777 14 G 3.9011 8.5685 107.9177 45.6865 0.0000 173.0638 15 K 4.4980 7.5873 117.0021 53.6763 35.3836 175.9024 16 N 4.4059 8.4466 119.0453 52.8869 37.8070 173.6369 17 P 4.1682 0.0000 0.0000 65.9629 32.1384 178.6347 18 A 3.9546 8.1028 120.0235 55.4610 18.7159 179.6360 19 K 3.9566 7.9355 115.3978 59.8555 32.6325 178.6001 20 S 3.7684 7.6979 114.5907 61.5254 62.8979 175.9455 *22 Y 4.9736 7.1884 114.8611 57.1441 39.6960 176.9929 23 G 4.3037 7.8553 108.9863 48.0207 0.0000 172.6264 24 A 5.1097 7.3962 116.0462 52.1828 21.3067 173.3029 25 Y 5.7555 7.5747 120.3364 55.3615 42.4774 177.4359 26 G 3.5764 8.4800 114.0949 46.4219 0.0000 174.2611 27 C 4.7275 8.7215 117.1743 57.0732 39.4636 174.1396 28 N 4.5508 8.8341 116.5903 54.8793 40.0802 173.3634 29 C 4.5841 8.5909 118.7687 59.7694 40.9052 174.0384 30 G 4.4019 7.2175 117.8287 44.4946 0.0000 174.1809 31 V 4.4421 7.8665 123.7271 61.3709 34.4633 173.8812 32 L 3.9038 8.8239 120.7087 54.9059 39.2266 174.3727 33 G 3.9258 7.6482 106.7233 45.7282 0.0000 173.8551 34 R 4.2139 7.9719 115.1590 54.8582 31.2411 174.8779 35 G 4.2377 8.4414 117.0075 45.5784 0.0000 174.8131 36 K 4.5411 9.2783 129.4357 54.4211 31.5601 172.7973 37 P 4.2319 0.0000 0.0000 61.6250 30.2783 176.2253 38 K 4.0022 9.3812 126.3207 57.5925 32.4592 176.0902 39 D 4.3001 7.7307 114.3796 52.9921 41.2811 175.6854 40 A 3.9043 8.0263 122.6396 55.7603 19.3773 179.8687 41 T 3.8987 8.3216 111.6040 67.1526 68.5770 175.9537 42 D 4.5309 8.2301 119.8462 57.2333 41.2402 178.3471 43 R 4.0052 8.1645 116.5439 58.8734 29.2131 178.4181 44 C 4.2307 7.6376 117.1234 60.3983 41.0426 175.2672 45 C 4.1689 8.1637 117.5643 59.9023 35.0152 175.3398 46 Y 4.1641 8.0825 122.6241 60.3217 38.3473 178.5262 47 V 3.7596 8.4857 119.4638 66.1550 31.5210 177.1516 48 H 3.8990 8.5130 118.4917 59.2567 29.4574 176.9919 49 K 3.7042 7.9340 119.2782 59.8855 32.3587 178.3470 50 C 4.4453 7.9629 116.3979 60.2997 38.4606 175.0228 51 C 4.0226 8.3697 120.2124 60.3949 42.8009 175.4799 52 Y 4.0039 7.8609 117.2093 60.9051 37.4754 177.9682 53 K 3.9773 7.7376 118.4968 59.2779 32.1918 178.2832 *57 K 4.3504 7.7644 116.2842 56.5216 33.9235 175.7658 58 L 3.6705 6.8482 115.4031 54.9878 40.9218 175.7411 59 T 4.3587 7.7194 119.2689 64.9542 71.4453 175.1791 60 G 3.7149 8.0169 114.8324 47.1737 0.0000 171.1632 61 C 4.8087 7.6159 114.8090 53.2197 43.5393 171.8042 *67 N 4.9309 8.2399 116.1629 53.1867 38.3930 173.3109 68 P 4.0057 0.0000 0.0000 64.5103 31.9629 177.8542 69 K 4.2946 8.4361 121.3341 58.6970 32.8901 178.7412 70 K 4.3076 8.0769 118.1234 56.1130 32.6560 178.8638 71 D 4.6730 8.3270 118.6945 54.5952 41.3551 175.6273 72 R 4.7134 8.3663 119.8093 54.5143 33.2054 174.3294 73 Y 5.5347 8.2127 117.9901 54.0099 41.1453 174.0673 74 S 4.6481 9.0856 114.0600 56.9550 64.9216 172.9802 75 Y 5.1573 8.6987 122.2936 55.1548 41.3241 173.8452 76 S 4.6778 9.3981 113.9563 56.5145 66.9633 173.2694 77 W 5.8589 8.8891 127.2793 55.1759 30.4467 174.3489 78 K 4.1320 7.7986 124.1404 55.3308 34.8686 177.3897 79 D 4.0915 8.7434 116.4508 55.4791 39.0969 173.3632 80 K 3.0027 7.6343 116.3423 56.6212 30.6545 174.1994 81 T 3.9332 6.3378 108.8679 60.0119 70.5377 172.2077 82 I 4.6599 8.1975 126.6424 61.2334 37.7870 175.8866 83 V 4.4221 9.3807 122.6181 59.5488 33.9171 175.6223 84 C 4.8161 8.8282 123.3474 56.1244 42.1360 174.0952 *86 G 4.0714 8.2343 106.2547 45.0555 0.0000 173.7637 87 E 4.1313 8.3974 121.8903 56.0479 30.2154 176.3963 88 N 4.2345 8.3512 112.7986 54.0756 36.7336 174.5500 89 N 4.5168 7.8947 114.3531 54.2126 39.1345 175.1370 90 S 4.4317 8.1480 118.5751 60.2985 62.3544 171.0117 91 C 4.3641 7.8453 117.6926 58.8257 43.9863 175.3565 92 L 3.9085 7.7501 120.0601 57.7135 41.0483 179.2399 93 K 3.8517 7.9275 118.0389 59.4861 32.4587 178.0077 94 E 4.0309 7.9499 119.5483 58.6077 29.5143 178.5709 95 L 3.8158 8.1875 121.1901 58.1779 42.1138 178.0495 96 C 3.3094 7.7054 119.8485 58.5099 38.2113 175.5736 97 E 3.8465 7.8760 120.4102 59.5135 28.9782 178.2787 98 C 4.2126 8.1399 116.5228 60.4637 36.4709 176.0977 99 D 4.3994 8.0441 119.6005 56.9708 40.7971 178.5708 100 K 4.1402 8.4238 120.4055 59.0324 32.2633 178.7701 101 A 4.1415 7.9683 121.4406 54.6544 18.2213 179.7842 102 V 3.6359 7.7067 117.4196 64.4003 31.9550 178.3742 103 A 3.8973 8.5349 121.4985 54.3485 18.0160 179.4217 104 I 3.8679 7.0950 117.3051 64.2577 37.7031 177.2690 105 C 4.2011 7.9174 118.7742 60.1799 44.2402 175.1362 106 L 3.8497 7.6324 121.4515 57.0068 40.9051 179.0368 107 R 3.8797 7.5409 116.2221 59.6818 29.4765 178.0153 108 E 4.0224 8.3592 119.2875 58.5919 29.7670 177.6714 109 N 4.7699 7.9057 113.9087 52.7939 39.2102 176.2296 110 L 3.8947 7.8055 123.6532 58.4531 41.7619 178.5678 111 N 4.5671 8.1852 115.4866 54.8808 37.4698 175.4813 112 T 4.5089 7.7417 114.2301 61.4714 67.7899 172.7601 113 Y 4.1279 7.9114 121.3056 57.4901 39.0594 174.8184 114 N 4.7594 8.8421 126.5932 51.4645 40.1796 175.2196 115 K 3.7984 8.5866 127.7826 58.9425 32.6453 178.1137 116 K 3.8012 7.5635 117.1269 59.7844 32.1036 177.1183 117 Y 4.3647 7.8878 114.4596 57.7194 37.5785 177.4302 118 R 4.0270 7.8950 122.9994 59.3065 30.5840 176.6205 119 Y 5.3167 7.4296 114.0175 55.6745 39.1080 174.3596 120 Y 3.6671 8.1491 120.9612 57.8067 39.5151 175.5708 121 L 4.3891 6.1465 127.1909 54.4390 39.6223 177.3199 122 K 4.0444 8.1594 121.3693 59.2100 32.6553 176.4719 123 P 4.3196 0.0000 0.0000 65.9853 31.8407 177.2368 *124 L 4.4765 8.7496 121.6500 54.3108 40.4006 180.6064 125 C 5.0112 7.7798 120.1830 56.0171 39.9786 174.8332 *128 K 4.4796 8.0661 121.6946 54.5615 32.7997 175.9143 129 K 4.4176 8.2865 117.3880 56.6207 33.4256 175.3386 130 A 4.7380 7.9948 124.6420 50.3808 20.6207 176.6797 131 D 4.5796 7.8963 120.6366 53.6376 41.5625 176.0175 132 A 4.3008 8.1840 123.4546 52.0571 19.0804 178.3814 133 C 4.6577 8.5888 115.6004 57.5868 41.2972 174.2448 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 S 8.14 4.75 0.00 3.98 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 0.00 2 L 8.54 3.95 0.00 2.01 1.63 0.98 0.83 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 3 F 9.32 4.01 0.00 3.12 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 4 E 8.27 4.11 0.00 1.83 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 2.05 2.34 0.00 5 L 8.20 4.22 0.00 2.12 1.82 0.85 1.07 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 6 G 7.74 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 0.00 0.00 0.00 7 K 7.86 4.10 0.00 1.89 2.12 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.61 1.58 7.81 8 M 8.05 4.06 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.01 0.00 9 I 7.99 3.72 1.85 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 1.29 1.11 0.73 0.00 0.00 10 L 7.47 4.08 0.00 1.92 1.62 0.86 0.74 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 11 Q 7.70 4.00 0.00 1.25 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.64 0.00 0.00 0.00 0.00 0.00 1.89 2.32 0.00 12 E 7.85 4.38 0.00 1.99 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 2.39 2.38 0.00 13 T 7.38 3.96 4.44 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 1.40 0.00 0.00 14 G 8.57 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 0.00 0.00 0.00 15 K 7.59 4.50 0.00 1.61 1.56 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.24 7.81 16 N 8.45 4.41 0.00 2.78 2.71 0.00 0.00 6.87 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 17 P 0.00 4.17 0.00 2.16 2.14 0.00 3.94 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 18 A 8.10 3.95 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 19 K 7.94 3.96 0.00 1.70 2.09 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.43 7.81 20 S 7.70 3.77 0.00 2.72 2.70 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 *22 Y 7.19 4.97 0.00 3.05 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 23 G 7.86 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 24 A 7.40 5.11 1.38 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 25 Y 7.57 5.76 0.00 3.01 2.78 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 26 G 8.48 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 0.00 0.00 0.00 27 C 8.72 4.73 0.00 2.91 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 28 N 8.83 4.55 0.00 2.89 2.81 0.00 0.00 6.96 7.19 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 29 C 8.59 4.58 0.00 3.39 3.38 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 30 G 7.22 4.40 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 0.00 31 V 7.87 4.44 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 0.98 0.00 0.00 32 L 8.82 3.90 0.00 1.75 1.74 0.95 0.85 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 33 G 7.65 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 34 R 7.97 4.21 0.00 1.60 1.60 0.00 2.64 0.00 0.00 2.95 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.28 0.00 35 G 8.44 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 0.00 0.00 0.00 0.00 36 K 9.28 4.54 0.00 1.78 1.76 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.50 7.81 37 P 0.00 4.23 0.00 2.17 2.03 0.00 3.90 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 38 K 9.38 4.00 0.00 1.34 1.15 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.83 1.42 7.81 39 D 7.73 4.30 0.00 2.57 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 40 A 8.03 3.90 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 41 T 8.32 3.90 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 1.26 0.00 0.00 42 D 8.23 4.53 0.00 2.90 2.78 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 43 R 8.16 4.01 0.00 1.96 2.31 0.00 2.74 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 44 C 7.64 4.23 0.00 3.13 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 45 C 8.16 4.17 0.00 3.03 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 46 Y 8.08 4.16 0.00 3.20 2.97 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 47 V 8.49 3.76 2.35 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 1.03 0.00 0.00 0.91 0.00 0.00 48 H 8.51 3.90 0.00 3.28 3.32 0.00 5.67 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 49 K 7.93 3.70 0.00 1.63 1.83 0.00 1.94 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.55 7.81 50 C 7.96 4.45 0.00 3.16 3.18 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 51 C 8.37 4.02 0.00 3.08 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 52 Y 7.86 4.00 0.00 3.08 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 53 K 7.74 3.98 0.00 1.96 1.91 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.72 7.81 *57 K 7.76 4.35 0.00 2.03 1.91 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 58 L 6.85 3.67 0.00 1.61 1.53 0.67 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.72 4.36 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 60 G 8.02 3.71 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 61 C 7.62 4.81 0.00 3.18 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 *67 N 8.24 4.93 0.00 2.75 3.26 0.00 0.00 7.70 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 68 P 0.00 4.01 0.00 0.76 0.49 0.00 3.81 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.32 0.00 69 K 8.44 4.29 0.00 1.83 1.83 0.00 1.78 0.00 0.00 1.93 0.00 0.00 3.08 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.52 1.53 7.81 70 K 8.08 4.31 0.00 1.83 1.69 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.33 1.27 7.81 71 D 8.33 4.67 0.00 3.02 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 72 R 8.37 4.71 0.00 1.70 1.69 0.00 2.95 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 73 Y 8.21 5.53 0.00 3.12 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 74 S 9.09 4.65 0.00 3.84 3.87 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 75 Y 8.70 5.16 0.00 3.07 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 76 S 9.40 4.68 0.00 3.86 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 77 W 8.89 5.86 0.00 3.66 3.03 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 0.00 0.00 0.00 78 K 7.80 4.13 0.00 1.91 1.91 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.33 7.81 79 D 8.74 4.09 0.00 2.66 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 80 K 7.63 3.00 0.00 1.75 1.64 0.00 1.89 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.61 7.81 81 T 6.34 3.93 3.99 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 0.00 0.00 0.00 1.14 0.00 0.00 82 I 8.20 4.66 1.89 0.00 0.00 0.91 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 1.17 0.68 0.00 0.00 83 V 9.38 4.42 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 0.75 0.00 0.00 1.01 0.00 0.00 84 C 8.83 4.82 0.00 2.99 3.10 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 0.00 0.00 0.00 0.00 *86 G 8.23 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 87 E 8.40 4.13 0.00 2.15 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 2.40 2.38 0.00 88 N 8.35 4.23 0.00 2.97 2.87 0.00 0.00 6.81 6.92 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 89 N 7.89 4.52 0.00 2.72 2.93 0.00 0.00 7.21 7.54 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 90 S 8.15 4.43 0.00 4.09 4.03 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 0.00 0.00 0.00 91 C 7.85 4.36 0.00 2.96 3.03 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 0.00 0.00 0.00 92 L 7.75 3.91 0.00 1.72 1.77 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.93 3.85 0.00 1.82 1.88 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.53 7.81 94 E 7.95 4.03 0.00 2.23 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 2.28 2.43 0.00 95 L 8.19 3.82 0.00 1.72 1.52 0.72 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.71 3.31 0.00 2.18 2.78 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 97 E 7.88 3.85 0.00 2.39 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 2.55 2.57 0.00 98 C 8.14 4.21 0.00 3.32 3.23 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 99 D 8.04 4.40 0.00 2.83 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 0.00 100 K 8.42 4.14 0.00 1.67 1.97 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.41 7.81 101 A 7.97 4.14 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 0.00 102 V 7.71 3.64 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 0.76 0.00 0.00 0.85 0.00 0.00 103 A 8.53 3.90 1.38 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 0.00 104 I 7.10 3.87 1.98 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 1.41 0.84 0.89 0.00 0.00 105 C 7.92 4.20 0.00 2.98 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 0.00 106 L 7.63 3.85 0.00 1.68 1.17 0.60 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.54 3.88 0.00 2.05 2.05 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 108 E 8.36 4.02 0.00 2.14 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 2.32 2.36 0.00 109 N 7.91 4.77 0.00 2.94 2.84 0.00 0.00 6.54 6.79 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 0.00 110 L 7.81 3.89 0.00 1.89 1.70 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.19 4.57 0.00 2.92 2.96 0.00 0.00 5.76 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 0.00 112 T 7.74 4.51 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 0.00 113 Y 7.91 4.13 0.00 2.86 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 0.00 114 N 8.84 4.76 0.00 2.78 2.71 0.00 0.00 6.34 5.59 0.00 0.00 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 K 8.59 3.80 0.00 1.87 1.85 0.00 1.85 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.56 7.81 116 K 7.56 3.80 0.00 2.25 1.47 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 117 Y 7.89 4.36 0.00 1.43 2.53 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 0.00 118 R 7.90 4.03 0.00 1.92 1.58 0.00 3.13 0.00 0.00 2.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.62 0.00 119 Y 7.43 5.32 0.00 2.95 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 0.00 120 Y 8.15 3.67 0.00 3.23 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 0.00 121 L 6.15 4.39 0.00 0.87 1.20 0.70 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.16 4.04 0.00 1.83 1.85 0.00 2.00 0.00 0.00 1.86 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.55 7.81 123 P 0.00 4.32 0.00 2.18 2.21 0.00 3.77 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 1.98 1.98 0.00 *124 L 8.75 4.48 0.00 1.50 1.55 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 125 C 7.78 5.01 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 *128 K 8.07 4.48 0.00 1.71 1.76 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 0.97 7.81 129 K 8.29 4.42 0.00 1.70 1.74 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.49 7.81 130 A 7.99 4.74 1.32 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 0.00 0.00 131 D 7.90 4.58 0.00 2.92 2.70 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 0.00 132 A 8.18 4.30 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 0.00 133 C 8.59 4.66 0.00 3.01 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 * Residues marked with a * may have inaccurate shift predictions.