NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2504 8.4145 122.1404 53.0274 35.7047 177.2746 8 K 4.0414 8.9362 123.8612 52.8435 27.9033 177.9663 9 K 4.3623 9.1814 122.9318 54.3250 35.4221 179.0619 10 V 3.0327 7.9705 113.0569 63.1328 29.0712 180.0018 11 K 4.3346 8.4780 129.4065 53.0524 30.3908 172.6428 12 R 4.3059 8.2280 126.3157 55.4827 30.4991 175.3096 13 Q 4.7105 8.6411 123.7781 53.8668 29.3289 174.2103 14 V 4.2383 8.8219 119.2241 58.8584 34.8815 174.6779 15 A 4.1171 8.6020 129.0208 53.9324 17.5202 177.8984 16 S 5.4923 6.7524 107.3881 55.9477 67.2295 175.9178 17 G 4.6630 7.8964 107.8008 48.5084 0.0000 173.0373 18 R 5.1814 8.0949 121.3780 55.3423 33.1448 172.7854 19 A 5.8662 7.8188 119.2419 53.0549 19.4132 175.7021 *20 Y 4.5459 8.0303 125.2630 57.4509 38.9103 177.5995 21 I 4.9718 8.9570 125.4213 58.9658 39.7465 172.8947 *22 H 5.0907 9.6257 126.4405 52.3951 30.4754 169.6905 23 A 5.0760 7.9493 127.4950 50.1117 21.3690 175.7589 24 S 4.5275 8.0305 119.3740 58.4151 67.7808 178.3199 *25 Y 4.4333 8.6245 117.4035 58.2558 35.8043 177.0107 26 N 5.0563 9.5225 120.2703 55.0998 43.7193 177.6457 27 N 5.4823 7.5776 114.4132 53.2079 41.1881 175.6769 28 T 5.0609 8.6022 114.6698 61.1649 71.4780 175.1082 29 I 4.4215 9.0716 131.0206 58.7092 37.1561 172.7189 30 V 4.8254 8.4353 129.0340 60.2907 34.3750 172.0287 31 T 5.0377 8.9122 116.2446 61.1870 73.3661 174.5505 32 I 5.1513 8.4851 123.7436 60.2075 39.7766 176.2564 33 T 5.0743 8.6566 120.5459 60.6388 73.6757 172.2164 34 D 5.0887 10.3070 122.1139 53.9567 41.5520 174.6631 35 P 4.2538 0.0000 0.0000 65.2070 31.1069 177.8304 36 D 5.0103 7.9986 116.2647 53.6931 40.9300 182.5618 37 G 4.2964 8.3988 118.0180 47.4434 0.0000 175.0900 38 N 4.0078 7.9174 118.5595 52.1535 37.9364 175.0437 39 P 4.9612 0.0000 0.0000 61.5698 31.9782 172.4661 40 I 4.5447 8.4030 118.7378 62.8005 37.7148 177.6631 41 T 4.7617 7.6251 117.5712 60.3342 72.8042 174.7499 *42 W 4.9443 8.7942 129.7953 55.3324 32.0502 174.5115 43 S 4.9722 7.8139 121.5667 59.5108 65.2258 173.5449 44 S 4.9683 7.8880 114.1569 61.1540 66.8134 174.3106 45 G 4.0463 8.2053 103.7491 48.3123 0.0000 175.7349 46 G 3.5971 8.3244 110.6333 49.1521 0.0000 175.6310 47 V 3.6490 8.0460 118.7805 63.2415 31.6134 178.5238 48 I 4.3460 7.0479 115.8462 59.8591 38.6678 180.2105 49 G 2.9305 10.4174 113.6136 45.6801 0.0000 178.0550 *50 Y 3.6002 7.8250 123.5900 57.1872 35.2209 176.5417 51 K 4.6243 8.7109 127.4957 54.5046 35.8291 173.6970 52 G 4.2552 7.5072 109.2456 45.9887 0.0000 176.4634 53 S 4.3841 9.0042 126.0739 59.4191 62.0958 176.0504 54 R 4.3313 7.9150 119.4995 58.7028 29.5375 182.8561 55 K 4.3991 8.1386 118.4998 55.8884 32.1546 183.2556 56 G 4.1871 7.7534 107.7740 46.8057 0.0000 174.4964 57 T 4.0499 7.6350 115.7893 60.2170 69.3076 178.8302 58 P 4.3604 0.0000 0.0000 65.2921 31.2392 176.5715 *59 Y 4.0030 8.1224 115.0440 60.0047 36.8403 182.0224 60 A 3.9855 8.3020 122.7669 54.6037 17.6331 177.9971 61 A 4.2998 7.9543 121.2291 54.3222 18.0786 179.7142 62 Q 3.9181 8.3847 118.4725 60.2968 28.5032 181.8669 63 L 4.1649 8.1476 121.9098 59.6194 41.1241 181.8573 64 A 4.2061 7.9717 120.9550 54.7474 18.1821 179.8540 65 A 4.4561 9.0381 118.1739 53.1165 18.4289 178.6344 66 L 4.5488 7.6312 123.0687 57.5655 44.3328 182.7444 67 D 4.2433 8.1790 121.6537 57.8969 39.4100 180.1213 68 A 4.1806 8.4736 121.5214 55.7978 18.7116 179.0116 69 A 4.0016 8.2509 121.1372 55.4369 18.3480 179.9874 70 K 3.8385 9.4231 123.2821 60.9941 31.7633 181.9930 71 K 4.2004 8.3320 123.6173 59.0078 31.4776 180.5074 72 A 4.4830 8.3467 120.3851 54.4678 19.2983 179.0996 73 M 4.2450 8.0578 118.2872 58.0769 31.5442 183.4455 74 A 4.5114 7.5757 120.6556 55.1020 18.6610 178.0468 *75 Y 4.6348 7.3508 115.4354 55.3115 37.8664 182.6726 76 G 3.7390 7.6749 117.5855 44.6950 0.0000 176.6920 77 M 3.3970 7.1956 121.3168 53.7407 29.2045 179.0061 78 Q 4.7132 9.3815 131.0003 55.6221 31.7391 173.2274 79 S 5.7820 8.0195 117.7346 56.8182 66.7007 177.8924 80 V 4.8970 8.4070 123.6430 59.7861 36.5533 173.4280 81 D 5.2606 8.4871 124.7408 53.1571 40.5859 178.6363 82 V 4.0262 8.7454 127.2993 61.6461 33.3934 173.8416 83 I 4.8099 8.5220 124.1938 59.8972 38.3579 176.2507 84 V 4.2152 9.0967 131.0541 61.7831 32.6895 174.2391 85 R 4.7425 8.6482 120.3421 57.1525 34.0937 175.8804 86 G 3.9323 9.0568 109.4643 46.7136 0.0000 173.8727 87 T 4.6424 8.2014 111.5235 58.6596 71.7308 175.0395 88 G 4.1471 7.6212 117.2077 45.6902 0.0000 172.3406 89 A 4.6870 8.8070 128.0361 50.6769 21.8620 176.4764 90 G 3.9920 8.8838 109.7067 45.9329 0.0000 175.1829 91 R 4.1692 7.7141 119.4720 57.6775 29.6355 182.8798 92 E 4.1275 9.2018 121.2040 59.1305 28.9680 178.6456 93 Q 4.1144 7.9207 120.1820 60.1836 27.9743 180.0272 94 A 4.1508 7.8499 124.1640 56.5024 18.2266 179.7929 95 I 3.8173 7.9197 120.6435 64.9097 35.4907 180.8256 96 R 4.1943 9.7812 121.2776 61.7228 29.0710 180.6091 97 A 4.2264 8.9559 123.8920 55.9458 18.1039 180.1949 98 L 4.2115 9.3038 123.3403 59.2828 40.9254 181.2833 99 Q 4.5386 7.9266 116.9011 58.0792 26.9609 180.7225 100 A 4.8445 7.8144 123.1325 53.3088 20.7765 179.4065 101 S 4.3066 7.6208 111.6543 59.9119 62.3552 180.5875 102 G 3.9806 7.3396 106.6446 45.9506 0.0000 174.1241 103 L 4.7032 7.7613 124.8959 54.0095 41.7507 182.7435 104 Q 4.1574 9.7185 129.5342 55.5479 29.5240 173.1775 105 V 4.2274 8.3260 124.6765 59.9948 32.4624 175.1564 106 K 3.9178 9.1339 133.5179 57.4495 30.8541 174.5493 107 S 4.8835 8.0628 117.1585 57.4715 67.8705 175.2211 108 I 4.7891 8.4923 121.6417 60.0572 37.9134 177.0622 109 V 4.6553 8.6231 128.0571 59.2749 36.1735 171.2442 110 D 5.2766 8.8156 124.5711 52.9055 42.3521 177.2647 111 D 4.8432 8.7055 122.6659 53.7332 43.0103 174.4266 112 T 3.8383 8.3850 115.0446 63.2332 68.7679 176.3884 113 P 4.3638 0.0000 0.0000 61.1694 30.9771 173.2414 114 V 4.3429 8.2495 124.0718 57.5011 33.7157 170.9624 115 P 4.3292 0.0000 0.0000 62.4446 31.0711 174.8693 *116 H 4.4283 8.7412 126.2967 54.0013 26.9172 171.5907 117 N 4.2629 8.6215 123.0173 52.5106 34.1375 175.3032 118 G 4.0140 8.3407 112.6453 45.5668 0.0000 167.3372 119 C 3.6605 9.0141 129.7007 57.2345 26.7882 173.0939 120 R 4.0357 8.6194 126.6754 54.9923 29.1706 172.1458 121 P 4.5302 0.0000 0.0000 61.1995 31.1626 173.2393 122 K 4.2895 8.7201 120.9105 56.0254 32.4954 179.7727 123 K 4.4441 8.6554 126.6389 58.1792 31.9440 178.6345 124 K 4.0023 8.1900 122.4396 57.1158 31.6647 178.8857 *125 F 4.8473 8.9677 117.3612 56.2780 41.3464 178.7376 126 R 4.4998 8.6505 129.5161 56.4471 36.0412 172.4587 127 K 4.6453 7.6479 118.3407 53.8366 34.4047 175.3200 128 A 4.5939 8.2234 121.3051 55.1667 25.4132 177.4608 129 S 4.3013 7.9723 115.1885 58.3000 63.4808 175.4576 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 7 K 8.41 4.25 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 8 K 8.94 4.04 0.00 1.93 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.20 1.07 7.81 9 K 9.18 4.36 0.00 1.73 1.70 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 0.96 7.81 10 V 7.97 3.03 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 0.83 0.00 0.00 0.93 0.00 0.00 11 K 8.48 4.33 0.00 1.77 1.67 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.33 0.99 7.81 12 R 8.23 4.31 0.00 1.73 1.83 0.00 3.20 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.19 0.00 13 Q 8.64 4.71 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.83 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 14 V 8.82 4.24 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 0.89 0.00 0.00 0.93 0.00 0.00 15 A 8.60 4.12 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 16 S 6.75 5.49 0.00 3.57 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.90 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 5.18 0.00 1.50 1.81 0.00 3.25 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 19 A 7.82 5.87 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 *20 Y 8.03 4.55 0.00 2.02 2.19 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 21 I 8.96 4.97 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 1.09 0.67 0.91 0.00 0.00 *22 H 9.63 5.09 0.00 2.52 2.95 0.00 7.11 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 23 A 7.95 5.08 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 24 S 8.03 4.53 0.00 3.32 3.68 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 *25 Y 8.62 4.43 0.00 2.32 2.21 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 26 N 9.52 5.06 0.00 2.68 2.67 0.00 0.00 6.57 7.87 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 27 N 7.58 5.48 0.00 2.58 2.63 0.00 0.00 7.26 7.22 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 28 T 8.60 5.06 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 29 I 9.07 4.42 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 1.09 0.63 0.91 0.00 0.00 30 V 8.44 4.83 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 0.67 0.00 0.00 0.93 0.00 0.00 31 T 8.91 5.04 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 32 I 8.49 5.15 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 1.09 0.68 0.91 0.00 0.00 33 T 8.66 5.07 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 34 D 10.31 5.09 0.00 2.37 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.08 2.02 0.00 3.65 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 1.95 1.62 0.00 36 D 8.00 5.01 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 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 38 N 7.92 4.01 0.00 2.66 2.76 0.00 0.00 6.90 7.76 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 39 P 0.00 4.96 0.00 2.08 1.85 0.00 3.66 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 1.92 1.58 0.00 40 I 8.40 4.54 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 1.09 1.23 0.91 0.00 0.00 41 T 7.63 4.76 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 *42 W 8.79 4.94 0.00 2.22 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 0.00 0.00 0.00 43 S 7.81 4.97 0.00 3.45 3.61 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 44 S 7.89 4.97 0.00 3.59 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.21 4.05 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 0.00 0.00 0.00 46 G 8.32 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 47 V 8.05 3.65 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 0.74 0.00 0.00 0.93 0.00 0.00 48 I 7.05 4.35 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 1.23 1.21 0.91 0.00 0.00 49 G 10.42 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 0.00 0.00 0.00 *50 Y 7.82 3.60 0.00 2.41 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 51 K 8.71 4.62 0.00 1.73 1.70 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 0.96 7.81 52 G 7.51 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 53 S 9.00 4.38 0.00 3.67 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 54 R 7.91 4.33 0.00 1.83 1.85 0.00 3.22 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 55 K 8.14 4.40 0.00 1.70 1.82 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.25 7.81 56 G 7.75 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 0.00 0.00 0.00 0.00 57 T 7.63 4.05 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 58 P 0.00 4.36 0.00 1.98 2.12 0.00 3.70 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 2.04 1.62 0.00 *59 Y 8.12 4.00 0.00 2.23 2.34 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 0.00 60 A 8.30 3.99 1.34 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 0.00 0.00 0.00 61 A 7.95 4.30 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 62 Q 8.38 3.92 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.03 0.00 63 L 8.15 4.16 0.00 1.65 1.75 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.97 4.21 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 9.04 4.46 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 66 L 7.63 4.55 0.00 1.56 1.61 0.92 1.08 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 67 D 8.18 4.24 0.00 2.70 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 68 A 8.47 4.18 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 69 A 8.25 4.00 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.42 3.84 0.00 1.69 1.84 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.37 7.81 71 K 8.33 4.20 0.00 1.79 1.86 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 72 A 8.35 4.48 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 73 M 8.06 4.24 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 74 A 7.58 4.51 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 *75 Y 7.35 4.63 0.00 2.22 2.22 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 76 G 7.67 3.74 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 77 M 7.20 3.40 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.12 0.00 78 Q 9.38 4.71 0.00 1.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 79 S 8.02 5.78 0.00 3.35 3.69 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 80 V 8.41 4.90 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 0.69 0.00 0.00 0.93 0.00 0.00 81 D 8.49 5.26 0.00 2.48 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 82 V 8.75 4.03 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 0.61 0.00 0.00 0.93 0.00 0.00 83 I 8.52 4.81 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 1.09 0.56 0.91 0.00 0.00 84 V 9.10 4.22 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 0.61 0.00 0.00 0.93 0.00 0.00 85 R 8.65 4.74 0.00 1.44 1.75 0.00 3.31 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 86 G 9.06 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 87 T 8.20 4.64 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 88 G 7.62 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 0.00 0.00 0.00 89 A 8.81 4.69 1.22 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 0.00 0.00 90 G 8.88 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 0.00 0.00 0.00 91 R 7.71 4.17 0.00 1.84 1.74 0.00 3.41 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 92 E 9.20 4.13 0.00 2.05 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 2.21 1.85 0.00 93 Q 7.92 4.11 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.00 0.00 94 A 7.85 4.15 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 95 I 7.92 3.82 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 1.50 0.70 0.91 0.00 0.00 96 R 9.78 4.19 0.00 1.81 2.01 0.00 3.26 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 97 A 8.96 4.23 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.30 4.21 0.00 1.48 1.68 0.92 0.88 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 99 Q 7.93 4.54 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 100 A 7.81 4.84 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 0.00 101 S 7.62 4.31 0.00 3.64 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 0.00 102 G 7.34 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 0.00 0.00 0.00 103 L 7.76 4.70 0.00 1.44 1.49 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 9.72 4.16 0.00 1.68 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 105 V 8.33 4.23 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 0.87 0.00 0.00 0.93 0.00 0.00 106 K 9.13 3.92 0.00 1.54 1.62 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.29 7.81 107 S 8.06 4.88 0.00 3.35 3.68 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 0.00 108 I 8.49 4.79 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 1.20 1.25 0.91 0.00 0.00 109 V 8.62 4.66 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 0.66 0.00 0.00 0.93 0.00 0.00 110 D 8.82 5.28 0.00 2.42 2.43 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 0.00 111 D 8.71 4.84 0.00 2.41 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.84 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 0.00 113 P 0.00 4.36 0.00 2.08 1.89 0.00 3.65 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 1.94 1.58 0.00 114 V 8.25 4.34 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 0.91 0.00 0.00 0.93 0.00 0.00 115 P 0.00 4.33 0.00 2.08 1.90 0.00 3.71 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 1.94 1.60 0.00 *116 H 8.74 4.43 0.00 2.92 2.96 0.00 7.29 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.62 4.26 0.00 2.91 2.79 0.00 0.00 6.70 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 0.00 118 G 8.34 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 0.00 119 C 9.01 3.66 0.00 2.93 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 0.00 120 R 8.62 4.04 0.00 1.82 1.78 0.00 3.24 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 121 P 0.00 4.53 0.00 2.08 1.88 0.00 3.71 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 1.94 1.59 0.00 122 K 8.72 4.29 0.00 1.68 1.71 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.00 7.81 123 K 8.66 4.44 0.00 1.78 1.74 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.07 7.81 124 K 8.19 4.00 0.00 1.76 1.81 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.05 7.81 *125 F 8.97 4.85 0.00 2.24 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 0.00 0.00 0.00 126 R 8.65 4.50 0.00 1.76 1.77 0.00 3.21 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 0.00 127 K 7.65 4.65 0.00 1.76 1.65 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 0.98 7.81 128 A 8.22 4.59 1.23 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 0.00 0.00 129 S 7.97 4.30 0.00 3.58 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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.