NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3921 8.3344 115.4177 59.2096 62.1873 172.4925 3 N 3.9510 7.8378 124.4104 52.9040 41.0896 172.1946 4 T 4.4277 9.0572 119.4251 63.7355 70.0387 173.9950 5 L 4.8195 7.9636 118.5917 54.5704 44.8863 176.6476 6 F 4.7922 7.6316 116.9917 57.5515 42.3819 172.0460 7 D 4.6399 7.6576 123.8669 52.8140 44.5099 173.2578 8 D 4.3040 8.0389 121.3762 53.9082 45.9513 173.9993 9 I 4.8529 7.7914 121.8240 59.5480 39.7556 174.8834 10 F 5.2787 9.2038 125.6066 55.6966 42.3989 174.2108 11 Q 5.0491 9.7934 123.9550 53.9992 31.1469 174.9392 12 V 4.0767 7.9879 127.4234 64.1296 31.5726 176.2215 13 S 4.6839 9.7002 122.2079 59.2684 65.9006 173.8822 14 E 4.8701 7.9767 117.8258 54.4436 34.2481 175.0361 15 V 4.4414 8.4006 121.4659 60.1833 33.5331 174.5498 16 D 4.8242 8.7453 126.6934 51.5875 43.1178 173.3673 17 P 4.5169 0.0000 0.0000 61.8943 30.6950 176.8170 18 G 3.8219 8.4355 119.8547 45.8010 0.0000 171.9611 19 R 3.6960 7.7270 121.6401 56.9534 27.9391 175.9605 20 Y 4.9432 7.2812 112.0118 57.1436 42.4886 175.2614 21 N 4.7660 8.9121 119.1971 54.1623 40.2243 176.1762 22 K 4.4102 8.1254 116.5048 57.3369 34.3490 176.8963 23 V 4.6563 7.6496 117.6882 61.8047 33.4474 175.1214 24 C 4.9086 8.6371 122.0147 58.0258 33.0766 173.0372 25 R 4.6880 8.4248 123.0118 55.6231 31.3338 174.6536 26 I 4.7113 9.5441 127.8683 59.1694 40.7126 173.3693 27 E 5.1002 8.7439 130.2095 54.6854 31.4110 174.4420 28 A 5.3049 9.7008 127.7348 49.7187 22.8214 174.3988 29 A 5.1201 9.1626 123.5891 50.1470 21.9074 176.2083 30 S 3.9068 8.3952 116.2987 58.3334 63.2653 173.7194 31 T 3.8646 8.1726 123.1486 65.2005 69.0059 173.1377 32 T 3.4956 9.0976 127.3917 63.1910 66.1743 172.2554 33 Q 4.0394 8.1216 121.3712 57.1205 29.7014 176.4005 34 D 4.7454 8.7562 121.8159 54.4155 41.4072 176.6800 35 Q 4.5273 7.9623 116.2622 55.6887 29.0699 174.3263 36 C 5.5119 8.1286 119.2852 56.7857 34.1588 172.7590 37 K 4.9810 8.6619 123.8105 55.3811 36.6789 174.7111 38 L 5.0543 9.0467 122.3629 53.8978 45.8053 174.7618 39 T 5.1080 8.9795 122.8489 61.7313 71.2203 172.9094 40 L 5.1453 9.1594 127.8428 53.5402 46.3088 174.3707 41 D 5.6251 8.8403 125.1694 53.1029 42.2258 176.0378 42 I 4.5059 8.7697 124.7744 59.3523 41.1288 175.2552 43 N 5.3770 9.7009 127.0137 53.2717 36.9005 175.2701 44 V 4.4921 8.5866 122.1504 63.8445 31.6809 176.4181 45 E 4.0984 8.1715 120.7430 59.6884 29.8625 177.7620 46 L 4.1109 8.0534 117.2563 56.6357 42.3670 176.8578 47 F 4.8509 7.9827 124.9794 55.4434 40.1074 172.1298 48 P 4.5706 0.0000 0.0000 62.0249 31.9871 175.9620 49 V 3.9280 8.0422 121.3410 60.8292 32.8405 174.7039 50 A 4.3670 8.5038 130.3376 50.5424 19.7491 176.6919 51 A 3.9258 8.4183 122.8242 53.8973 19.3587 178.1569 52 Q 3.8450 8.4080 119.8757 56.0697 26.1487 172.4221 53 D 5.0915 7.2906 121.0684 53.9762 44.9408 178.1627 54 S 4.8059 8.6168 118.2686 59.0311 64.5632 173.7780 55 L 4.8638 8.9386 125.9387 53.2221 44.6533 176.1147 56 T 4.8919 8.3115 118.9637 62.3182 69.9728 173.6781 57 V 4.5929 8.4604 127.5763 62.0381 33.4935 174.9833 58 T 5.1688 8.8267 122.7150 61.3898 72.8662 173.2119 59 I 4.1315 8.6274 120.0947 62.6518 39.0464 177.8188 60 A 3.9259 8.8245 123.6724 52.1469 17.3338 178.2972 61 S 4.7541 7.7325 105.9079 59.7201 65.8599 174.8389 62 S 4.3981 7.4513 114.2215 59.0814 65.8296 174.3402 63 L 4.2886 7.2306 120.8268 53.4251 40.5216 176.6317 *76 T 4.0769 7.3619 114.0137 63.5583 70.0763 175.0443 77 R 4.4716 8.3064 125.1360 54.1018 32.2334 175.7343 78 S 4.0914 8.5161 112.5489 58.8533 62.8964 174.0668 79 W 4.3879 8.6888 132.7279 56.8094 30.5975 175.9041 80 R 3.9345 8.0087 125.6168 54.6966 30.3394 174.9390 81 P 3.5539 0.0000 0.0000 61.7727 31.9567 174.4833 82 P 4.3391 0.0000 0.0000 63.1744 32.0440 176.8088 83 Q 4.4393 8.2672 117.4576 56.1244 30.7610 176.3001 84 A 4.2064 8.1481 117.7454 53.1235 18.2437 179.3780 85 G 3.8625 8.2361 107.2967 48.7433 0.0000 174.4873 86 D 5.0080 7.7340 116.8441 52.3293 40.9696 174.3320 87 R 4.6295 7.3002 116.9149 54.8974 34.9754 175.0444 88 S 4.5896 8.4492 114.1951 56.8072 63.9624 173.6836 89 L 4.5635 8.2908 124.7109 53.5738 42.5048 177.7183 90 A 4.3634 8.5069 131.4774 50.7836 16.7646 178.2092 91 D 4.9355 7.5369 120.9814 52.8753 41.2990 175.2430 92 D 4.6406 8.6211 123.5385 54.3923 41.1122 176.3452 93 Y 4.4807 7.6157 117.0238 57.4839 39.1636 175.0729 94 D 4.6523 8.6422 121.8644 56.4380 42.2428 176.5226 95 Y 4.6353 8.2649 119.3170 55.6621 41.8864 174.6312 96 V 5.0820 8.3490 124.8730 61.8319 34.7127 173.9221 97 M 4.9283 8.7388 123.9170 54.0888 37.0908 173.0773 98 Y 4.8169 8.7014 121.5780 55.9781 41.2275 174.5965 99 G 3.7059 7.8651 113.0262 44.8184 0.0000 171.0447 100 T 4.7607 7.9579 114.5286 61.4705 71.6142 173.7443 101 A 4.0325 8.5278 126.8029 51.2584 19.6118 174.8404 102 Y 4.4871 8.0895 118.4305 56.5454 39.7486 175.7213 103 K 4.4697 6.6130 117.7698 53.8952 35.5313 175.0723 104 F 4.6384 8.5894 120.6744 55.8198 41.4989 174.1187 105 E 4.6648 9.2535 125.7091 54.5805 31.8395 174.2707 106 E 4.7923 8.6831 125.4855 54.3959 30.9014 177.3407 107 V 4.1564 8.1950 127.2823 62.7838 31.5469 176.1624 108 S 3.3182 8.2230 120.3259 58.6174 62.3613 171.7326 109 K 3.6265 9.7538 122.8589 58.9812 31.0748 172.1691 110 D 5.1984 10.0314 119.5595 54.0117 37.0839 175.4683 111 L 4.8762 7.7901 120.3213 52.7087 45.6936 175.4700 112 I 5.0926 8.7129 124.1282 59.3476 41.4391 174.5289 113 A 4.8940 9.1610 126.0964 50.4627 22.3988 175.5747 114 V 4.1100 8.3990 115.5361 59.6392 35.0778 174.5824 115 Y 5.1518 7.0576 118.8559 56.3965 40.8961 174.3471 116 Y 5.0365 9.1521 121.6070 56.2389 42.5084 174.8102 117 S 4.6547 8.7778 117.6834 56.3764 64.2047 172.3417 118 F 4.3557 9.1228 127.7273 56.6824 37.0999 175.3754 119 G 3.8441 8.9783 114.5593 46.1504 0.0000 169.4358 120 G 4.1086 8.0073 105.6992 45.4646 0.0000 173.6346 121 L 4.2773 7.9285 120.0215 54.4952 42.7748 176.7545 122 L 5.4662 9.1002 122.8561 53.3426 45.5331 175.1084 123 M 5.2638 9.3429 120.3088 54.0817 35.9768 173.6059 124 R 4.9911 9.6815 127.1328 54.4485 33.0147 173.9633 125 L 5.0165 8.5087 127.5013 53.2485 46.2121 174.6726 126 E 4.9028 8.4913 123.9719 54.0733 33.0801 172.5038 127 G 3.9355 8.9726 117.6423 45.9571 0.0000 174.9772 128 N 4.7812 8.7614 121.2521 54.0406 43.3530 174.1456 129 Y 4.5699 7.4009 115.0270 58.3532 38.9952 176.7780 130 R 4.4256 7.3329 119.2357 56.8508 29.9465 178.0773 131 N 4.3299 7.9089 117.1553 56.3157 38.4803 177.6322 132 L 4.7384 7.6766 115.5720 55.0061 42.4474 176.7412 133 N 4.8946 8.1170 113.3543 55.2231 40.9190 176.2767 134 N 4.7577 7.6179 117.8038 51.6314 36.8182 174.8828 135 L 4.1048 7.8614 121.9830 54.5946 42.5784 177.5166 136 K 4.4781 8.2698 116.9609 57.2135 31.8777 177.5394 137 Q 4.3195 7.7713 121.0167 55.3267 29.7388 176.1821 138 E 3.8902 8.6385 122.1791 58.3977 30.6404 178.9706 139 N 4.6713 7.2941 118.5932 55.3928 38.5384 173.1574 140 A 4.0216 9.2790 130.3472 53.8506 17.1327 176.1440 141 Y 5.0524 7.7147 124.0424 58.9413 41.0485 174.9223 142 L 4.5149 7.9094 118.7078 55.2472 46.5046 175.2206 143 L 4.9512 8.6250 125.1523 53.1539 45.5792 175.2677 144 I 5.1971 9.0982 125.2524 58.6916 39.9271 175.0343 145 R 4.7454 8.1053 120.8754 55.3964 33.2847 175.3992 146 R 4.2555 8.4745 117.8882 57.0525 30.8637 176.1331 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 2 S 8.33 4.39 0.00 4.00 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 3 N 7.84 3.95 0.00 2.93 2.73 0.00 0.00 7.14 6.33 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 4 T 9.06 4.43 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 5 L 7.96 4.82 0.00 1.68 1.76 1.06 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.63 4.79 0.00 3.15 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 7 D 7.66 4.64 0.00 2.55 2.27 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 8 D 8.04 4.30 0.00 2.39 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 0.00 0.00 0.00 0.00 9 I 7.79 4.85 1.82 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 1.37 0.65 0.93 0.00 0.00 10 F 9.20 5.28 0.00 3.06 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 11 Q 9.79 5.05 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 12 V 7.99 4.08 2.28 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 0.93 0.00 0.00 0.99 0.00 0.00 13 S 9.70 4.68 0.00 3.90 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 14 E 7.98 4.87 0.00 1.90 1.83 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 2.31 2.32 0.00 15 V 8.40 4.44 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 0.71 0.00 0.00 0.93 0.00 0.00 16 D 8.75 4.82 0.00 2.85 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 17 P 0.00 4.52 0.00 2.16 2.13 0.00 3.83 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 2.00 1.99 0.00 18 G 8.44 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 19 R 7.73 3.70 0.00 1.66 1.67 0.00 3.28 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 20 Y 7.28 4.94 0.00 3.02 2.74 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 21 N 8.91 4.77 0.00 2.75 2.90 0.00 0.00 6.88 7.61 0.00 0.00 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 K 8.13 4.41 0.00 1.71 1.83 0.00 1.66 0.00 0.00 1.90 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.44 7.81 23 V 7.65 4.66 1.68 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 0.53 0.00 0.00 0.83 0.00 0.00 24 C 8.64 4.91 0.00 3.02 2.74 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 25 R 8.42 4.69 0.00 2.00 1.83 0.00 3.11 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 26 I 9.54 4.71 1.86 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 1.18 0.91 0.00 0.00 27 E 8.74 5.10 0.00 2.17 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 2.25 2.32 0.00 28 A 9.70 5.30 1.20 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 0.00 0.00 29 A 9.16 5.12 1.30 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 30 S 8.40 3.91 0.00 3.34 3.83 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 31 T 8.17 3.86 4.18 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 1.19 0.00 0.00 32 T 9.10 3.50 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 1.17 0.00 0.00 33 Q 8.12 4.04 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 34 D 8.76 4.75 0.00 2.67 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 35 Q 7.96 4.53 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 36 C 8.13 5.51 0.00 3.07 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 37 K 8.66 4.98 0.00 1.86 1.89 0.00 1.53 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.44 7.81 38 L 9.05 5.05 0.00 1.50 1.38 0.80 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.98 5.11 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 1.24 0.00 0.00 40 L 9.16 5.15 0.00 1.58 1.34 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.84 5.63 0.00 2.71 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 42 I 8.77 4.51 1.87 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.92 1.10 0.00 0.00 43 N 9.70 5.38 0.00 2.80 2.76 0.00 0.00 6.47 7.25 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 44 V 8.59 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 1.06 0.00 0.00 0.98 0.00 0.00 45 E 8.17 4.10 0.00 1.97 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 2.33 2.29 0.00 46 L 8.05 4.11 0.00 1.65 1.65 0.80 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.98 4.85 0.00 3.18 3.44 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 48 P 0.00 4.57 0.00 2.03 1.94 0.00 3.12 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 1.87 2.00 0.00 49 V 8.04 3.93 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 0.83 0.00 0.00 0.90 0.00 0.00 50 A 8.50 4.37 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 51 A 8.42 3.93 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 52 Q 8.41 3.84 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 53 D 7.29 5.09 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.62 4.81 0.00 3.87 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 55 L 8.94 4.86 0.00 1.71 1.68 0.97 0.80 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 56 T 8.31 4.89 4.34 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 1.29 0.00 0.00 57 V 8.46 4.59 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 1.11 0.00 0.00 0.84 0.00 0.00 58 T 8.83 5.17 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 1.22 0.00 0.00 59 I 8.63 4.13 2.01 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 1.15 0.91 0.00 0.00 60 A 8.82 3.93 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 61 S 7.73 4.75 0.00 4.04 3.98 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 62 S 7.45 4.40 0.00 3.79 3.73 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 63 L 7.23 4.29 0.00 1.59 1.56 0.91 0.82 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 *76 T 7.36 4.08 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 77 R 8.31 4.47 0.00 1.79 1.91 0.00 3.31 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 78 S 8.52 4.09 0.00 4.02 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 79 W 8.69 4.39 0.00 3.17 3.22 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 80 R 8.01 3.93 0.00 1.56 1.61 0.00 3.20 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 81 P 0.00 3.55 0.00 1.84 1.84 0.00 3.46 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 82 P 0.00 4.34 0.00 2.01 1.97 0.00 3.54 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 83 Q 8.27 4.44 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 84 A 8.15 4.21 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 85 G 8.24 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 0.00 0.00 0.00 86 D 7.73 5.01 0.00 2.65 2.59 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 0.00 0.00 0.00 0.00 87 R 7.30 4.63 0.00 1.72 1.78 0.00 3.14 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 88 S 8.45 4.59 0.00 3.97 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 89 L 8.29 4.56 0.00 2.06 1.70 0.98 0.57 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 90 A 8.51 4.36 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 D 7.54 4.94 0.00 2.97 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 92 D 8.62 4.64 0.00 2.39 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 93 Y 7.62 4.48 0.00 2.91 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 94 D 8.64 4.65 0.00 2.26 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 95 Y 8.26 4.64 0.00 2.24 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 0.00 0.00 0.00 0.00 96 V 8.35 5.08 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 0.97 0.00 0.00 0.95 0.00 0.00 97 M 8.74 4.93 0.00 1.78 1.07 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 98 Y 8.70 4.82 0.00 2.46 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.87 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 0.00 100 T 7.96 4.76 4.12 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 1.17 0.00 0.00 101 A 8.53 4.03 0.68 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 0.00 0.00 102 Y 8.09 4.49 0.00 2.88 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 0.00 103 K 6.61 4.47 0.00 1.48 1.74 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.33 7.81 104 F 8.59 4.64 0.00 2.77 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 0.00 105 E 9.25 4.66 0.00 2.09 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 2.23 2.31 0.00 106 E 8.68 4.79 0.00 1.88 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 2.24 2.29 0.00 107 V 8.20 4.16 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 0.78 0.00 0.00 0.90 0.00 0.00 108 S 8.22 3.32 0.00 4.05 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 0.00 109 K 9.75 3.63 0.00 1.95 1.79 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.40 7.81 110 D 10.03 5.20 0.00 2.84 3.25 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 0.00 111 L 7.79 4.88 0.00 1.62 1.53 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.71 5.09 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 0.87 0.00 0.00 113 A 9.16 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.40 4.11 1.67 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 0.88 0.00 0.00 0.86 0.00 0.00 115 Y 7.06 5.15 0.00 2.05 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 0.00 116 Y 9.15 5.04 0.00 2.86 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 0.00 0.00 0.00 0.00 117 S 8.78 4.65 0.00 3.51 3.44 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 0.00 118 F 9.12 4.36 0.00 3.10 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 0.00 119 G 8.98 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.01 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.93 4.28 0.00 1.97 1.71 1.03 0.51 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 0.00 122 L 9.10 5.47 0.00 1.80 1.65 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 123 M 9.34 5.26 0.00 2.39 2.12 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.70 0.00 124 R 9.68 4.99 0.00 2.02 1.78 0.00 3.32 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.26 0.00 125 L 8.51 5.02 0.00 1.67 1.27 0.92 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.49 4.90 0.00 1.99 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 2.15 2.27 0.00 127 G 8.97 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 0.00 128 N 8.76 4.78 0.00 2.77 2.83 0.00 0.00 6.77 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 0.00 129 Y 7.40 4.57 0.00 3.28 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 0.00 130 R 7.33 4.43 0.00 1.67 1.82 0.00 2.73 0.00 0.00 2.76 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.09 0.00 131 N 7.91 4.33 0.00 2.64 2.85 0.00 0.00 6.78 8.18 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 0.00 132 L 7.68 4.74 0.00 1.64 1.67 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.12 4.89 0.00 2.73 3.14 0.00 0.00 7.19 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 7.62 4.76 0.00 2.74 2.96 0.00 0.00 7.18 7.67 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 0.00 135 L 7.86 4.10 0.00 1.70 1.67 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.27 4.48 0.00 1.73 1.90 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.90 1.03 7.81 137 Q 7.77 4.32 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 138 E 8.64 3.89 0.00 2.02 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 2.31 2.31 0.00 139 N 7.29 4.67 0.00 2.87 2.87 0.00 0.00 7.12 7.23 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 0.00 140 A 9.28 4.02 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 0.00 141 Y 7.71 5.05 0.00 2.89 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 0.00 142 L 7.91 4.51 0.00 1.50 0.97 0.84 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.62 4.95 0.00 0.72 0.25 0.67 0.18 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 0.00 144 I 9.10 5.20 1.43 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.42 0.67 0.00 0.00 145 R 8.11 4.75 0.00 1.78 2.14 0.00 2.85 0.00 0.00 2.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 146 R 8.47 4.26 0.00 2.04 1.97 0.00 3.14 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.