NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3132 8.1476 120.3520 55.6171 32.7081 175.7326 *7 S 4.4921 8.4884 120.5977 57.9485 65.1145 173.9400 8 V 4.5759 7.4753 118.5380 61.4378 34.4117 173.4877 9 F 4.5799 8.5462 125.6691 56.8086 42.0990 173.7954 10 A 4.2770 7.5845 131.3668 50.5538 18.2530 175.4033 11 Y 4.3558 8.2541 122.6897 57.9258 39.7628 174.7630 12 E 4.3098 7.5947 125.3196 54.3026 32.6558 174.9895 13 S 4.4046 8.3047 118.4853 56.9768 63.4118 173.8565 14 S 4.4545 8.5933 121.5439 59.0611 63.7685 175.3053 15 V 4.2444 7.4375 120.3251 62.3814 32.3233 177.0910 16 H 4.1457 7.9857 119.9852 59.3170 29.6479 177.2542 17 S 4.0108 7.9666 115.5090 61.9043 63.0997 176.1586 18 T 3.7958 7.9495 119.2480 66.4059 68.1075 176.0895 19 N 4.3594 8.0961 118.3275 56.0213 38.5037 177.6928 20 V 3.4928 7.9908 120.0795 65.8582 31.6710 177.7099 21 L 3.8696 8.0302 120.2586 58.2039 41.9144 178.8161 22 L 4.0070 7.8896 118.7510 58.1388 41.5279 179.8235 23 S 4.1796 8.2253 114.9283 61.5216 62.6500 176.7894 24 L 4.0611 8.2527 122.0056 57.7825 41.2900 178.9988 25 N 4.2453 8.8697 117.5200 56.7193 38.8870 176.4686 26 D 4.2788 8.1886 119.4982 57.2221 41.2773 178.0933 27 Q 4.0667 8.6215 121.5241 59.6433 28.8022 179.6798 28 R 3.8326 8.2408 124.0274 62.1085 29.1585 181.4490 29 K 4.1654 7.8807 123.4990 59.3205 31.8402 180.6033 30 K 4.3927 8.1494 119.3603 56.7210 32.3673 177.2560 31 D 4.4032 7.7709 117.0821 54.3399 37.9400 179.1361 32 V 4.3437 7.9510 119.8205 62.8245 33.6060 175.3706 33 L 3.7042 8.6012 123.9559 55.8241 39.2723 174.4524 34 C 4.3403 7.3654 114.8046 59.7237 28.8471 173.3979 35 D 4.9822 8.9236 117.8939 53.1799 41.9411 174.9306 36 V 4.8811 7.8277 120.8564 61.3535 35.4473 174.3634 37 T 4.8170 8.7186 117.0879 59.7874 71.5495 172.2457 38 I 4.7664 8.5119 128.5505 59.0150 39.3463 174.9683 39 F 5.1240 9.4126 127.2931 56.1994 40.3977 175.1870 40 V 4.3759 8.7002 125.3669 60.9874 33.9140 175.4755 41 E 3.8477 9.6779 128.7564 57.6104 26.9600 175.8407 42 G 4.0391 8.5577 102.5118 46.3467 0.0000 173.7462 43 Q 4.6454 8.4298 121.2543 54.3229 30.8969 175.3808 44 R 4.5289 8.4393 122.7439 55.6844 30.8389 173.4708 45 F 4.6809 9.0979 126.2073 55.1762 41.4294 175.9684 *46 R 4.4796 8.6169 124.4065 57.1024 30.4955 171.9500 47 A 4.4432 8.5085 122.4115 51.6232 23.7714 174.1481 48 H 5.1443 9.1470 117.7516 55.0953 30.3786 177.8446 49 R 4.0046 10.3875 127.0468 61.5116 29.2401 176.3262 50 S 4.3398 8.0469 114.1122 61.4654 63.0492 176.7616 51 V 3.4964 7.6947 121.3927 65.5572 31.4226 177.8820 52 L 3.8773 7.8858 118.4812 57.6404 41.1775 179.3053 53 A 4.2128 8.0371 119.5590 55.2111 18.4099 179.1465 54 A 4.1252 7.9074 118.1971 55.4874 18.7283 179.1722 55 C 4.4265 8.1029 114.3693 60.4853 28.6299 173.7551 56 S 4.9492 7.8823 115.3000 55.7268 65.5510 174.7167 57 S 4.2118 8.7216 124.3039 61.7456 62.4398 176.0946 58 Y 3.8061 7.7879 122.0106 60.9551 38.1635 178.5133 59 F 4.3535 8.1208 118.5872 60.5891 38.9613 177.1998 60 H 4.1845 8.4887 118.1634 59.4402 29.4519 177.5098 61 S 4.1295 7.9427 115.7014 61.6015 62.7972 176.3708 62 R 4.1794 7.6601 120.1500 57.9353 30.0043 178.2279 63 I 4.3728 7.1189 118.6519 62.8946 38.6800 182.2253 64 V 3.8076 7.5745 123.7508 63.2053 30.4524 175.9753 *70 E 4.3293 7.8184 118.9768 57.1409 31.9812 178.8136 71 L 4.9495 8.1832 122.4600 53.0468 45.2452 175.3489 72 N 5.6117 8.9934 120.2795 50.8008 41.5188 173.7907 73 I 4.6517 8.8200 124.7127 59.8307 40.2803 174.6064 74 T 5.1306 8.6945 123.8351 61.9767 69.8649 174.2956 75 L 4.4358 8.5395 127.3880 53.5620 42.9170 175.7610 76 P 4.5073 0.0000 0.0000 62.4192 32.4379 177.4261 77 E 4.0403 8.5647 116.4976 58.7902 29.6978 175.1447 78 E 3.9670 7.7484 112.6628 58.8040 30.0685 182.8262 79 V 3.8148 7.2166 118.7768 62.2874 32.2134 175.7914 80 T 5.1390 7.9294 118.4907 58.8608 72.5707 175.3513 81 V 3.7681 8.5074 123.7904 66.9626 31.4497 179.0847 82 K 4.1461 8.2278 121.8855 59.5623 31.5281 180.3859 83 G 3.9978 7.4646 103.2603 47.2106 0.0000 175.6982 84 F 4.2185 8.5821 123.3157 60.9829 39.5294 176.8602 85 E 3.9108 8.5458 119.3608 59.1527 29.3608 177.2109 86 P 4.3505 0.0000 0.0000 65.1700 31.2866 178.6298 87 L 4.1356 7.6797 120.2568 58.1860 41.6069 179.7329 88 I 3.5883 7.1378 120.0275 65.0596 35.2456 180.1789 89 Q 4.2653 8.1295 119.9900 58.7878 28.5939 178.6700 90 F 4.2821 8.7287 122.8363 60.7686 39.1938 176.7087 91 A 3.8035 8.0807 119.2747 55.0224 18.1741 178.3141 92 Y 4.2487 7.5020 112.4407 58.1702 38.9976 176.4978 93 T 4.3165 7.7412 107.5538 60.0982 70.5628 174.8421 94 A 3.1197 8.0565 123.6336 51.8305 16.5465 176.9040 95 K 4.6272 7.9032 118.9791 55.0572 34.5784 174.7287 96 L 4.7186 8.7047 127.7467 53.3626 43.1920 175.2825 97 I 4.3070 8.3446 127.7110 59.8404 37.9705 175.2079 98 L 5.0394 8.3173 125.3857 52.9164 44.5344 176.4691 99 S 4.8170 9.3360 118.4709 56.1771 67.3495 175.7835 100 K 3.8706 8.8050 127.4850 60.3042 31.2895 179.4087 101 E 4.3004 8.1760 118.8905 58.7633 30.0498 177.7428 102 N 4.7902 8.0333 114.6143 53.1284 38.0902 176.8556 103 V 3.7096 7.7594 121.7085 66.2271 31.6143 177.1922 104 D 4.3818 8.1913 119.9095 57.6262 41.2820 178.5887 105 E 3.9604 8.0497 118.5973 60.8822 29.8144 181.8152 106 V 3.9117 7.9853 119.3474 65.9579 31.5487 177.5843 107 C 2.4630 7.8857 120.8331 62.6389 31.2114 176.4434 108 K 3.9138 7.8901 125.1246 59.8989 31.2659 180.4479 109 C 4.3658 7.9099 119.2635 61.8915 31.5326 175.9214 110 V 3.6620 7.9414 122.8325 66.5843 30.8988 178.5191 111 E 4.0153 7.6810 116.8761 60.8245 29.5900 180.5373 112 F 4.3298 8.1394 120.5937 61.2847 39.8197 177.0100 113 L 3.8281 8.2779 117.0704 54.5677 42.6543 176.5477 114 S 3.9441 7.8300 115.1499 59.4042 60.7741 172.4610 115 V 4.1543 7.3652 118.2679 62.8417 32.4866 175.2827 116 H 4.6558 8.6489 124.6078 56.1031 29.6275 174.2254 117 N 4.1955 8.7279 115.1039 55.0398 35.7244 175.3425 118 I 4.0792 7.7044 120.0342 59.6322 39.5113 176.4235 119 E 3.9552 8.6921 124.8277 56.5791 29.2090 174.7144 120 E 4.3698 8.7437 125.0865 59.2921 29.7940 175.6559 121 S 4.3553 8.0792 113.5770 62.3279 62.8431 175.7716 122 C 3.6749 7.9771 120.1911 62.9441 27.6102 175.6463 123 F 4.6140 7.3447 116.0117 58.6552 38.8457 176.7183 124 Q 4.5672 8.0456 119.2465 56.7033 30.5877 176.6672 *125 F 4.4617 7.6041 120.7801 56.0085 37.1108 181.2419 126 L 4.5542 7.1239 114.0868 53.4051 42.9415 176.6570 127 K 4.2089 8.1471 127.0493 57.4805 32.3868 175.4728 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 0 M 8.15 4.31 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.85 0.00 *7 S 8.49 4.49 0.00 4.06 4.04 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 8 V 7.48 4.58 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 0.81 0.00 0.00 0.95 0.00 0.00 9 F 8.55 4.58 0.00 2.99 2.91 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 10 A 7.58 4.28 1.04 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 0.00 0.00 11 Y 8.25 4.36 0.00 3.31 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 12 E 7.59 4.31 0.00 1.69 1.60 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 2.05 2.04 0.00 13 S 8.30 4.40 0.00 3.94 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 14 S 8.59 4.45 0.00 3.99 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 15 V 7.44 4.24 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 0.88 0.00 0.00 0.95 0.00 0.00 16 H 7.99 4.15 0.00 3.25 3.36 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.97 4.01 0.00 4.05 4.10 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 18 T 7.95 3.80 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 1.20 0.00 0.00 19 N 8.10 4.36 0.00 2.98 2.84 0.00 0.00 6.60 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 20 V 7.99 3.49 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 1.01 0.00 0.00 0.74 0.00 0.00 21 L 8.03 3.87 0.00 1.79 1.60 0.77 0.85 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 22 L 7.89 4.01 0.00 1.93 1.71 0.95 0.89 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 23 S 8.23 4.18 0.00 3.87 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 24 L 8.25 4.06 0.00 1.93 1.89 0.86 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.87 4.25 0.00 3.19 2.99 0.00 0.00 6.86 8.49 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 26 D 8.19 4.28 0.00 2.93 2.82 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 27 Q 8.62 4.07 0.00 2.40 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 28 R 8.24 3.83 0.00 1.81 1.94 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 29 K 7.88 4.17 0.00 1.84 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.35 7.81 30 K 8.15 4.39 0.00 2.13 1.87 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.47 1.32 7.81 31 D 7.77 4.40 0.00 2.89 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 32 V 7.95 4.34 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 0.95 0.00 0.00 0.93 0.00 0.00 33 L 8.60 3.70 0.00 2.03 1.79 0.95 0.96 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 34 C 7.37 4.34 0.00 2.95 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 35 D 8.92 4.98 0.00 2.75 2.82 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 36 V 7.83 4.88 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 0.75 0.00 0.00 1.04 0.00 0.00 37 T 8.72 4.82 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 1.21 0.00 0.00 38 I 8.51 4.77 1.78 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.85 0.84 0.00 0.00 39 F 9.41 5.12 0.00 3.05 2.99 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 40 V 8.70 4.38 1.92 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 0.97 0.00 0.00 -0.11 0.00 0.00 41 E 9.68 3.85 0.00 2.27 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 2.30 2.41 0.00 42 G 8.56 4.04 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 0.00 0.00 0.00 43 Q 8.43 4.65 0.00 2.49 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.13 0.00 44 R 8.44 4.53 0.00 1.59 1.72 0.00 3.21 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.22 0.00 45 F 9.10 4.68 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 *46 R 8.62 4.48 0.00 1.60 1.71 0.00 3.31 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 47 A 8.51 4.44 1.28 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 0.00 0.00 48 H 9.15 5.14 0.00 3.23 3.28 0.00 5.83 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 10.39 4.00 0.00 1.73 1.94 0.00 3.27 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 50 S 8.05 4.34 0.00 4.04 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 0.00 51 V 7.69 3.50 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 0.42 0.00 0.00 0.77 0.00 0.00 52 L 7.89 3.88 0.00 1.66 1.38 0.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.04 4.21 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 54 A 7.91 4.13 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 55 C 8.10 4.43 0.00 3.22 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 56 S 7.88 4.95 0.00 4.09 4.22 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 57 S 8.72 4.21 0.00 3.91 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 58 Y 7.79 3.81 0.00 2.84 2.77 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 59 F 8.12 4.35 0.00 3.42 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 60 H 8.49 4.18 0.00 3.64 3.52 0.00 5.78 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 61 S 7.94 4.13 0.00 3.84 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 62 R 7.66 4.18 0.00 1.99 1.98 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 63 I 7.12 4.37 1.87 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 1.41 0.75 0.91 0.00 0.00 64 V 7.57 3.81 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 0.84 0.00 0.00 0.62 0.00 0.00 *70 E 7.82 4.33 0.00 1.82 1.76 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 2.13 1.90 0.00 71 L 8.18 4.95 0.00 1.39 1.50 0.92 0.59 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 72 N 8.99 5.61 0.00 2.69 3.02 0.00 0.00 6.85 7.45 0.00 0.00 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 I 8.82 4.65 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 1.15 0.00 0.00 74 T 8.69 5.13 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 75 L 8.54 4.44 0.00 1.42 1.46 0.78 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.51 0.00 2.07 2.01 0.00 3.44 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 77 E 8.56 4.04 0.00 1.99 1.86 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 2.23 1.87 0.00 78 E 7.75 3.97 0.00 1.98 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 2.23 1.86 0.00 79 V 7.22 3.81 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 0.89 0.00 0.00 0.41 0.00 0.00 80 T 7.93 5.14 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 1.22 0.00 0.00 81 V 8.51 3.77 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 1.41 0.00 0.00 1.16 0.00 0.00 82 K 8.23 4.15 0.00 1.89 1.72 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.08 7.81 83 G 7.46 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.58 4.22 0.00 3.07 2.91 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 85 E 8.55 3.91 0.00 2.40 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 2.44 2.69 0.00 86 P 0.00 4.35 0.00 2.22 2.12 0.00 3.68 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 2.23 2.21 0.00 87 L 7.68 4.14 0.00 1.59 1.64 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.14 3.59 1.87 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 1.52 0.73 0.91 0.00 0.00 89 Q 8.13 4.27 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 90 F 8.73 4.28 0.00 3.13 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 91 A 8.08 3.80 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 92 Y 7.50 4.25 0.00 2.98 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 93 T 7.74 4.32 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 1.25 0.00 0.00 94 A 8.06 3.12 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 95 K 7.90 4.63 0.00 1.76 1.68 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.38 7.81 96 L 8.70 4.72 0.00 1.29 1.35 0.92 0.76 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 97 I 8.34 4.31 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 1.43 0.75 0.93 0.00 0.00 98 L 8.32 5.04 0.00 1.57 1.57 0.59 0.96 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 99 S 9.34 4.82 0.00 3.96 3.91 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 0.00 100 K 8.80 3.87 0.00 1.87 1.81 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.10 7.81 101 E 8.18 4.30 0.00 1.95 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 2.31 2.45 0.00 102 N 8.03 4.79 0.00 3.21 3.05 0.00 0.00 6.71 7.07 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 0.00 103 V 7.76 3.71 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 1.25 0.00 0.00 1.02 0.00 0.00 104 D 8.19 4.38 0.00 2.83 2.62 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 0.00 0.00 0.00 0.00 105 E 8.05 3.96 0.00 2.01 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 1.93 0.00 106 V 7.99 3.91 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 1.11 0.00 0.00 1.05 0.00 0.00 107 C 7.89 2.46 0.00 2.38 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 3.91 0.00 1.81 1.80 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.32 7.81 109 C 7.91 4.37 0.00 3.09 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 0.00 110 V 7.94 3.66 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 0.98 0.00 0.00 1.03 0.00 0.00 111 E 7.68 4.02 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 112 F 8.14 4.33 0.00 2.98 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 0.00 113 L 8.28 3.83 0.00 1.84 1.77 1.25 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.83 3.94 0.00 4.03 3.86 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 0.00 115 V 7.37 4.15 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 0.92 0.00 0.00 1.03 0.00 0.00 116 H 8.65 4.66 0.00 3.27 3.23 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.73 4.20 0.00 2.98 2.98 0.00 0.00 6.73 7.45 0.00 0.00 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 7.70 4.08 1.86 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.66 0.79 0.00 0.00 119 E 8.69 3.96 0.00 1.89 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 2.31 1.88 0.00 120 E 8.74 4.37 0.00 1.97 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 2.31 1.97 0.00 121 S 8.08 4.36 0.00 3.80 3.91 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 0.00 122 C 7.98 3.67 0.00 1.81 2.38 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 0.00 123 F 7.34 4.61 0.00 2.98 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 0.00 124 Q 8.05 4.57 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 7.63 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 *125 F 7.60 4.46 0.00 2.36 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 0.00 0.00 0.00 0.00 126 L 7.12 4.55 0.00 1.59 1.48 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.15 4.21 0.00 1.86 1.63 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.