NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.0299 8.0932 114.8063 57.8611 64.5629 174.0807 2 L 3.8300 8.1024 119.5513 57.3276 41.0331 179.1706 3 F 4.1733 8.6159 119.2575 60.7230 39.1876 177.2468 4 E 4.1682 8.1960 117.6385 59.1506 29.2452 178.8125 5 L 4.1094 8.3842 120.8797 58.3238 42.1828 179.2988 6 G 3.6366 8.8254 106.3468 47.7032 0.0000 175.5435 7 K 4.0086 8.1765 121.9464 59.5305 32.2566 178.8197 8 M 4.1109 8.5917 119.4219 58.4741 31.8704 178.8318 9 I 3.6079 8.0057 120.1575 64.1888 37.1394 178.2469 10 L 4.3213 7.9279 122.4596 57.7992 41.7182 178.9659 11 Q 3.6547 8.2650 116.9915 58.8380 28.6179 178.6010 12 E 4.3024 8.4373 119.0084 59.6840 29.8606 179.0114 13 T 4.1864 8.4962 109.7348 63.6540 69.0329 176.4186 *15 G 4.1382 7.6782 107.3960 44.4798 0.0000 172.2132 16 K 4.4783 8.0070 120.2248 54.0122 34.3277 175.3280 17 N 4.3732 8.5741 120.1589 53.4278 39.6980 173.7005 18 P 4.4336 0.0000 0.0000 65.8966 31.6479 178.4684 19 A 4.0777 8.0534 118.9125 54.8970 18.1262 179.4279 20 K 3.8898 8.3397 117.2098 59.9407 32.4780 178.8926 21 S 4.7561 7.7523 114.7142 59.3327 61.8991 174.5222 22 Y 4.8317 8.2298 116.7496 57.1933 39.5871 177.5763 23 G 3.8215 8.2766 110.4391 48.3544 0.0000 173.3528 24 A 5.0203 7.3207 119.9454 51.2046 20.5076 172.7055 25 Y 5.0335 9.0131 121.6141 56.5158 42.4476 175.5992 26 G 3.5071 8.1822 116.6977 46.9308 0.0000 173.2835 27 C 4.7162 9.7824 118.6544 57.3539 40.9918 173.9867 28 N 4.6947 8.6948 114.9823 52.8545 40.6223 173.7837 29 C 4.5194 8.5918 117.2051 57.3809 40.6492 173.4431 30 G 4.7186 9.0533 117.4863 47.0030 0.0000 173.9805 31 V 3.7507 7.5806 111.7600 60.7816 32.1732 175.5770 32 L 4.0545 8.3253 123.4823 55.7233 42.5504 177.8667 33 G 3.9218 8.6850 113.8377 45.2171 0.0000 171.9660 34 R 4.9158 8.0744 117.2240 55.0784 32.8012 175.7626 35 G 4.2139 9.4413 106.3366 44.7956 0.0000 173.2547 36 K 3.8502 9.0953 123.4926 55.9007 32.5034 175.0936 37 P 4.4453 0.0000 0.0000 62.7843 31.8441 176.7489 38 K 3.8435 8.6218 121.6411 58.7443 32.4922 176.0252 39 D 4.4357 7.2043 115.6260 51.5424 41.7930 175.4932 40 A 3.9908 8.6279 119.7776 55.8938 17.6944 179.8488 41 T 3.8018 8.0217 113.7219 66.9828 68.6344 176.2322 42 D 4.5254 9.1755 120.2520 57.2584 41.2143 178.2235 43 R 3.9683 8.3337 119.8724 59.3600 30.0103 177.6443 44 C 4.2081 8.3161 116.6043 60.5402 37.7783 175.6739 45 C 4.2292 7.9467 117.0158 59.7907 40.5449 175.5956 46 Y 3.9621 8.0586 121.3124 60.7652 38.4547 178.0891 47 V 3.4473 8.4590 119.5223 66.2801 31.4906 177.4094 48 H 3.9968 8.4585 118.2306 59.2445 29.7167 177.4679 49 K 3.6954 8.2556 120.6520 59.5163 31.5792 178.8001 50 C 4.1969 7.8276 116.2862 59.8393 40.0859 174.9295 51 C 4.3189 8.1358 119.9794 59.8565 42.2066 174.9279 52 Y 4.3509 8.0819 118.5574 61.1033 37.2543 178.6453 53 K 3.9108 8.1228 119.2730 59.1631 31.8724 178.9609 *57 K 4.4713 7.7901 115.7300 55.8995 34.0340 176.1997 58 L 4.2167 7.6240 119.0425 54.9769 42.1026 176.7161 59 T 4.3904 8.5692 117.9955 64.4705 70.7758 175.3107 60 G 4.0858 7.9549 107.4867 44.8625 0.0000 171.5290 61 C 4.8918 7.4385 112.3639 54.4570 45.6418 172.4254 *67 D 4.8708 8.6871 118.5524 53.4152 41.1321 174.3858 68 P 3.9442 0.0000 0.0000 65.7346 31.6555 179.3101 69 K 4.0937 8.1857 120.3675 56.1731 32.2500 182.5111 70 K 4.2760 8.6739 119.3126 57.7198 33.3569 176.6051 71 D 4.4840 8.2245 120.2693 54.1975 40.9487 176.2990 72 R 4.5310 8.6387 123.0224 55.4075 31.0726 174.8233 73 Y 4.9498 7.3309 116.8955 56.0893 41.1345 173.7143 74 S 5.1798 10.1384 115.8615 57.1438 65.8069 172.6698 75 Y 5.5621 8.1700 118.4551 56.2945 41.0365 173.1234 76 S 4.6864 9.6499 114.3617 56.3468 67.3614 172.6157 77 W 5.2560 8.8515 130.0487 55.8838 31.8567 174.9499 78 K 4.4465 8.8296 127.4091 55.8468 34.6641 176.6100 79 D 4.3555 9.3371 123.3251 56.0537 38.5754 173.3141 80 K 2.0000 7.2589 110.5770 57.1674 30.2281 175.5338 81 T 4.3633 6.5350 112.5434 61.5342 73.0490 174.1192 82 I 4.8361 8.4118 125.9658 61.0690 38.4103 175.4569 83 V 4.3752 9.5609 127.9754 60.9273 33.7162 174.1647 84 C 4.7582 9.1100 125.8954 56.6294 40.7804 174.2992 85 G 4.3159 8.6613 107.6596 45.3716 0.0000 172.3555 86 E 4.9153 7.9803 116.3221 54.6664 34.1123 175.5923 87 N 4.6774 8.6619 119.1511 54.4494 40.9846 174.9926 88 N 4.0513 8.1467 116.8065 53.7201 39.4572 172.8604 *90 P 4.3444 0.0000 0.0000 63.0485 33.5357 179.2844 91 C 4.2174 8.2211 118.0654 59.3480 43.0047 175.3700 92 L 3.5987 8.4727 120.8089 57.3765 41.0399 179.5350 93 K 3.8173 8.4499 120.1175 59.5672 32.2378 178.7500 94 E 3.8943 8.3468 119.1962 59.1717 29.3151 179.0388 95 L 3.8548 8.4671 121.1319 58.3913 42.1785 178.1472 96 C 3.2004 7.8181 118.4945 59.5406 43.3101 175.4880 97 E 3.9048 8.2675 120.3502 59.2697 28.9498 178.6964 98 C 4.3090 8.5465 117.1991 60.1169 39.4288 175.8693 99 D 4.3557 8.3349 120.4610 57.2385 40.3894 178.6255 100 K 3.7808 8.5484 120.1893 59.5087 32.1542 178.5754 101 A 3.9704 8.2395 121.4305 55.1651 18.3083 180.0446 102 V 3.5294 7.9381 117.5384 64.6695 31.4925 178.4831 103 A 3.7879 8.1972 121.7981 54.9340 18.2293 179.7121 104 I 3.8110 8.0399 118.6978 64.6638 37.2893 177.8800 105 C 4.6510 8.4765 121.0780 59.1481 43.2193 175.6027 106 L 3.7851 8.1072 119.9771 57.6401 41.4068 179.1971 107 R 4.0327 7.9499 118.6490 59.4821 29.9919 178.3786 108 E 4.1829 8.9378 118.1044 58.2323 29.3495 177.9251 109 N 5.0837 7.6460 115.1977 52.8091 39.4216 176.5048 110 L 4.1807 7.9390 121.5357 57.5840 41.8225 179.7944 111 G 3.7593 8.2489 106.8475 47.8302 0.0000 174.1008 112 T 4.6169 7.7646 107.8800 61.1220 69.4361 173.4662 113 Y 4.1243 7.9431 124.1249 58.1963 39.3644 174.6442 114 N 4.9655 9.0297 124.8201 51.4419 41.2601 175.1030 115 K 3.9631 8.8154 126.1533 58.9690 32.3395 178.9810 116 K 3.9551 7.8870 116.9775 58.8310 32.7297 177.2871 117 Y 4.4303 7.3535 117.2214 58.2096 37.4344 175.5373 118 R 4.1138 7.6559 121.4290 57.3701 30.4169 176.4648 119 Y 3.9459 8.8009 120.8405 58.9436 35.9515 169.4847 120 H 4.1587 7.4866 119.4997 56.5522 30.2703 174.7247 121 L 4.2088 8.4473 126.7860 54.1403 42.2125 176.5838 122 K 3.9796 9.0127 125.3393 59.2293 32.0121 176.6317 123 P 4.0238 0.0000 0.0000 65.3076 31.2791 177.7849 *125 F 5.0904 7.7818 113.8597 57.1787 40.7697 175.6889 126 C 4.6211 8.3291 119.4574 56.7948 38.8332 173.7474 127 K 4.3906 8.5733 122.6475 55.3566 34.0665 175.5313 *129 K 4.3697 8.3996 122.6877 56.1808 32.8911 175.5522 130 A 4.2415 8.6818 129.9904 51.8113 19.1810 176.7981 131 D 4.5695 8.3976 122.6577 54.0792 41.6344 175.5664 132 P 4.5211 0.0000 0.0000 61.8391 31.5557 178.3766 133 C 4.4330 8.8495 118.2178 57.0511 41.0747 173.8902 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 8.09 5.03 0.00 4.37 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 2 L 8.10 3.83 0.00 1.43 1.63 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.62 4.17 0.00 3.04 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 4 E 8.20 4.17 0.00 1.82 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 1.84 2.42 0.00 5 L 8.38 4.11 0.00 2.09 1.90 0.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.83 3.64 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 0.00 0.00 0.00 7 K 8.18 4.01 0.00 2.06 2.16 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.49 7.81 8 M 8.59 4.11 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.11 0.00 9 I 8.01 3.61 2.00 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 1.19 0.63 0.84 0.00 0.00 10 L 7.93 4.32 0.00 1.75 1.91 0.82 0.42 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 11 Q 8.27 3.65 0.00 2.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 1.67 2.31 0.00 12 E 8.44 4.30 0.00 1.98 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 2.59 2.49 0.00 13 T 8.50 4.19 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 1.19 0.00 0.00 *15 G 7.68 4.14 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 0.00 0.00 0.00 16 K 8.01 4.48 0.00 1.81 1.61 0.00 1.49 0.00 0.00 1.48 0.00 0.00 2.66 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.51 1.37 7.81 17 N 8.57 4.37 0.00 2.74 2.70 0.00 0.00 7.10 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 18 P 0.00 4.43 0.00 2.24 2.15 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 19 A 8.05 4.08 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 20 K 8.34 3.89 0.00 1.85 1.96 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.52 7.81 21 S 7.75 4.76 0.00 3.23 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 22 Y 8.23 4.83 0.00 3.14 2.92 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 0.00 0.00 0.00 0.00 23 G 8.28 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 0.00 0.00 0.00 24 A 7.32 5.02 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 25 Y 9.01 5.03 0.00 3.03 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 26 G 8.18 3.51 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 0.00 0.00 0.00 27 C 9.78 4.72 0.00 2.98 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 28 N 8.69 4.69 0.00 3.03 2.85 0.00 0.00 6.96 7.51 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 29 C 8.59 4.52 0.00 3.51 3.43 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 30 G 9.05 4.72 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 31 V 7.58 3.75 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 0.81 0.00 0.00 1.03 0.00 0.00 32 L 8.33 4.05 0.00 1.64 1.59 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.69 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.07 4.92 0.00 1.81 2.24 0.00 2.84 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 35 G 9.44 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 0.00 0.00 0.00 0.00 36 K 9.10 3.85 0.00 1.66 1.69 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.65 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.32 7.81 37 P 0.00 4.45 0.00 1.93 1.99 0.00 3.41 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 38 K 8.62 3.84 0.00 0.79 0.74 0.00 1.41 0.00 0.00 1.45 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.08 0.45 7.81 39 D 7.20 4.44 0.00 2.93 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 40 A 8.63 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.80 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 0.83 0.00 0.00 42 D 9.18 4.53 0.00 2.98 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 43 R 8.33 3.97 0.00 2.06 2.08 0.00 3.16 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 44 C 8.32 4.21 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 45 C 7.95 4.23 0.00 3.20 3.29 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 46 Y 8.06 3.96 0.00 3.08 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 47 V 8.46 3.45 2.32 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 0.95 0.00 0.00 1.11 0.00 0.00 48 H 8.46 4.00 0.00 3.14 3.28 0.00 5.66 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 8.26 3.70 0.00 1.84 1.73 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.32 7.81 50 C 7.83 4.20 0.00 2.81 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 51 C 8.14 4.32 0.00 3.05 3.24 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 52 Y 8.08 4.35 0.00 3.12 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 8.12 3.91 0.00 1.96 1.85 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.65 7.81 *57 K 7.79 4.47 0.00 1.94 1.91 0.00 1.79 0.00 0.00 2.35 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.61 7.81 58 L 7.62 4.22 0.00 1.66 1.54 0.75 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.57 4.39 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 7.95 4.09 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 0.00 0.00 0.00 61 C 7.44 4.89 0.00 3.33 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 *67 D 8.69 4.87 0.00 2.71 2.92 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 0.00 0.00 0.00 0.00 68 P 0.00 3.94 0.00 0.49 1.28 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 69 K 8.19 4.09 0.00 1.70 1.85 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 0.99 7.81 70 K 8.67 4.28 0.00 1.68 2.02 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.44 7.81 71 D 8.22 4.48 0.00 2.93 2.65 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 72 R 8.64 4.53 0.00 1.74 1.85 0.00 2.93 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 73 Y 7.33 4.95 0.00 3.14 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 74 S 10.14 5.18 0.00 3.87 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 75 Y 8.17 5.56 0.00 3.17 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 76 S 9.65 4.69 0.00 3.86 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 0.00 77 W 8.85 5.26 0.00 3.35 3.05 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 78 K 8.83 4.45 0.00 1.65 1.58 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.52 7.81 79 D 9.34 4.36 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.26 2.00 0.00 1.59 1.61 0.00 1.85 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.35 7.81 81 T 6.53 4.36 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 1.13 0.00 0.00 82 I 8.41 4.84 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.00 0.87 0.00 0.00 83 V 9.56 4.38 2.16 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 1.02 0.00 0.00 0.98 0.00 0.00 84 C 9.11 4.76 0.00 3.02 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 85 G 8.66 4.32 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 0.00 86 E 7.98 4.92 0.00 1.89 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 2.31 2.29 0.00 87 N 8.66 4.68 0.00 2.66 2.81 0.00 0.00 6.95 7.79 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 88 N 8.15 4.05 0.00 2.77 2.73 0.00 0.00 6.94 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 *90 P 0.00 4.34 0.00 2.27 2.32 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 91 C 8.22 4.22 0.00 3.00 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 92 L 8.47 3.60 0.00 1.93 1.73 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.45 3.82 0.00 1.96 2.00 0.00 1.47 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.48 7.81 94 E 8.35 3.89 0.00 2.18 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 0.00 2.30 2.53 0.00 95 L 8.47 3.85 0.00 1.85 1.61 1.10 0.10 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 96 C 7.82 3.20 0.00 1.96 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 97 E 8.27 3.90 0.00 2.10 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 2.48 2.45 0.00 98 C 8.55 4.31 0.00 3.34 3.24 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 99 D 8.33 4.36 0.00 2.92 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 0.00 100 K 8.55 3.78 0.00 1.67 1.96 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.45 7.81 101 A 8.24 3.97 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 0.00 102 V 7.94 3.53 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 0.51 0.00 0.00 0.72 0.00 0.00 103 A 8.20 3.79 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 0.00 104 I 8.04 3.81 2.03 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 1.58 0.75 0.95 0.00 0.00 105 C 8.48 4.65 0.00 3.02 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 0.00 106 L 8.11 3.79 0.00 1.30 0.89 0.08 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.95 4.03 0.00 1.85 2.08 0.00 3.28 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.08 0.00 108 E 8.94 4.18 0.00 2.12 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 0.00 2.33 2.63 0.00 109 N 7.65 5.08 0.00 2.89 2.84 0.00 0.00 6.83 6.34 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 0.00 110 L 7.94 4.18 0.00 1.86 1.73 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.25 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 0.00 0.00 0.00 112 T 7.76 4.62 4.32 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 1.26 0.00 0.00 113 Y 7.94 4.12 0.00 3.08 3.01 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 0.00 114 N 9.03 4.97 0.00 2.62 2.28 0.00 0.00 6.98 6.30 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 0.00 115 K 8.82 3.96 0.00 1.87 1.90 0.00 1.78 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.77 1.67 7.81 116 K 7.89 3.96 0.00 1.63 1.69 0.00 1.28 0.00 0.00 1.39 0.00 0.00 2.40 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.85 0.38 7.81 117 Y 7.35 4.43 0.00 1.69 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.66 4.11 0.00 1.99 1.45 0.00 3.32 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 119 Y 8.80 3.95 0.00 3.13 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 0.00 120 H 7.49 4.16 0.00 3.43 3.42 0.00 5.95 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 0.00 121 L 8.45 4.21 0.00 1.82 1.48 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 122 K 9.01 3.98 0.00 1.80 1.82 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.52 7.81 123 P 0.00 4.02 0.00 1.76 1.87 0.00 3.46 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 *125 F 7.78 5.09 0.00 3.17 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 0.00 126 C 8.33 4.62 0.00 3.04 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 0.00 127 K 8.57 4.39 0.00 1.66 1.72 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.38 7.81 *129 K 8.40 4.37 0.00 1.80 1.77 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 130 A 8.68 4.24 1.44 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 0.00 0.00 0.00 131 D 8.40 4.57 0.00 2.70 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 0.00 132 P 0.00 4.52 0.00 2.09 1.83 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 133 C 8.85 4.43 0.00 2.91 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 * Residues marked with a * may have inaccurate shift predictions.