NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 3.9916 8.0544 120.3102 60.7508 33.3332 174.8887 4 R 3.7115 7.8746 122.1197 55.5848 30.1035 174.2891 5 A 3.9736 9.3225 128.9284 52.7362 20.4247 175.9991 6 T 4.3730 8.5633 118.8036 62.4622 70.1842 173.4917 7 Y 4.9073 8.6280 124.8056 57.1004 39.5321 175.2974 8 T 4.6060 9.2660 121.7052 61.6863 70.8860 173.7711 9 V 4.0303 8.4973 127.7719 63.0596 31.5746 175.6285 10 I 4.3264 9.1506 130.1956 63.6008 37.8812 176.3016 11 F 4.6442 7.5284 114.5637 57.3462 40.9071 173.5136 12 K 4.3777 9.1342 119.8727 56.6780 32.4212 176.7506 13 N 5.1484 9.0532 120.0670 52.9187 40.5622 173.9440 14 A 4.7606 9.0096 126.1689 50.4863 20.8986 176.5748 15 S 4.5842 7.9805 115.1905 57.3635 64.0589 173.4745 16 G 2.9326 6.4815 107.9624 44.7380 0.0000 172.9025 17 L 3.9441 8.2360 118.9718 54.1584 42.1818 175.9381 18 P 4.3116 0.0000 0.0000 62.4370 31.9301 175.6491 19 N 4.4375 8.8073 119.2068 55.2407 38.9853 175.3059 20 G 3.9477 9.0936 109.0023 46.0868 0.0000 172.0794 21 Y 5.0293 8.0544 115.8373 55.9311 41.5311 174.2094 22 D 5.1014 8.9369 121.3194 52.5351 45.4368 173.8386 23 N 5.4177 8.9500 119.1449 51.6271 40.3638 173.5624 24 W 4.9544 9.4190 126.5701 56.8819 30.1475 177.4925 25 G 4.4444 8.9355 110.9498 44.3718 0.0000 173.1649 26 W 5.1083 7.8882 114.4989 56.0216 31.0422 174.1290 27 G 4.1328 9.0971 104.4466 46.6431 0.0000 172.8055 28 C 5.2850 7.8674 114.4806 57.9427 32.5584 173.5696 29 T 4.6809 8.6060 110.9875 59.9682 71.4431 172.8964 30 L 5.1066 8.3364 122.6535 53.1312 44.3634 175.6678 31 S 4.6258 8.2193 116.0899 57.0459 67.3837 172.3026 32 Y 5.3671 8.2556 116.5657 55.5140 40.9055 174.5350 33 Y 4.7966 8.9829 123.5509 57.5226 41.8043 174.1141 34 G 3.8791 8.7290 112.4450 46.5021 0.0000 174.8321 35 G 3.9888 8.5291 105.8838 45.7139 0.0000 173.5314 36 A 5.1171 8.0534 122.5276 50.9915 21.1730 176.2885 37 M 4.1897 9.1269 122.0796 55.0387 33.7228 175.0827 38 I 4.2733 8.1174 128.3073 59.6117 39.4085 174.7975 39 I 4.1378 8.5141 129.7425 60.1512 38.7325 174.8630 40 N 5.0115 8.6989 127.3968 50.7394 39.2003 171.5517 41 P 4.7710 0.0000 0.0000 62.1252 33.1160 175.1459 42 Q 4.4150 8.9634 122.4423 54.6378 30.3591 175.3684 43 E 3.8973 8.7024 123.7003 57.9478 29.9943 177.3251 44 G 3.8716 9.1455 113.5971 45.7550 0.0000 173.9789 45 K 4.5326 7.5721 117.5801 55.5035 33.6968 175.7167 46 Y 3.7747 7.6057 115.1647 57.9711 35.7602 170.8425 47 G 3.6211 7.9297 104.3315 46.9728 0.0000 173.1151 48 A 4.9057 7.4973 122.6864 49.7665 23.1748 174.9505 49 V 4.5381 8.3649 120.4541 61.3365 33.9517 174.6907 50 S 4.9659 8.9305 122.2601 56.3118 64.6050 172.1353 51 L 4.8323 9.3055 128.6981 54.3719 42.7201 176.0837 52 K 4.7154 9.0676 127.2245 54.2692 32.8194 175.7036 53 R 3.1944 8.5919 127.9454 56.4909 30.2742 177.4356 54 N 4.4520 8.4094 122.6548 56.0903 39.1704 175.7891 55 S 4.2575 7.2022 111.3055 57.5021 65.6509 174.6212 56 G 3.7620 9.1754 115.4196 45.0244 0.0000 172.2000 57 S 4.4637 7.5990 112.3452 56.8969 66.9731 174.5675 58 F 4.4822 8.0905 121.8778 56.9017 40.7921 174.6702 59 R 4.6424 8.2184 119.5474 55.7524 32.5324 176.0193 60 G 3.7710 10.1779 115.2318 44.7873 0.0000 172.7301 61 G 4.0420 8.5421 110.7817 46.8373 0.0000 172.6479 62 S 5.1641 9.0076 116.7149 56.9771 66.9458 173.0591 63 L 5.2526 9.0032 121.8055 53.0636 44.3912 175.3681 64 R 5.3465 9.2917 124.1294 53.6997 32.9775 174.2545 65 F 5.8184 7.6875 117.4909 57.2944 41.1408 172.2152 66 D 5.5202 8.9013 120.6593 53.6737 43.1867 175.3476 67 M 6.2300 9.4578 120.5669 55.2067 36.3666 173.5056 68 K 5.1169 8.3804 123.9896 55.2624 36.9055 174.4228 69 N 5.1377 8.5604 114.3676 52.7240 40.1977 175.1331 70 E 4.3031 9.4174 121.7124 58.0495 30.4231 175.9846 71 G 4.6736 7.6359 104.6133 43.2935 0.0000 172.2490 72 K 4.5671 8.6337 118.6963 56.4198 33.5009 176.6745 73 V 4.7018 8.8147 123.9809 60.9662 34.7036 173.9657 74 K 4.7140 9.0871 130.0036 55.4677 33.7016 175.0392 75 I 4.5681 8.8228 129.1606 60.1138 38.8904 174.9664 76 L 5.2073 8.6277 125.9995 53.0014 46.3572 175.8108 77 V 4.8199 8.2428 113.1249 59.8369 35.4796 174.7440 78 E 5.1852 9.1151 120.9112 54.9853 34.7746 173.8687 79 N 5.3565 9.2172 121.9299 52.2692 40.1316 175.7792 80 S 4.3111 9.9418 124.1265 61.9112 63.3991 176.8975 81 E 3.9543 8.4301 118.0809 59.5140 29.2528 177.8409 82 A 4.1487 8.8605 118.5787 52.0781 19.1546 176.5532 83 D 4.4047 7.6150 114.6006 55.0685 40.0778 172.8065 84 E 4.8531 8.5556 120.1354 54.5643 33.5340 175.2520 85 K 4.9934 8.8379 125.3185 54.7860 35.3673 175.5139 86 F 4.3079 8.6456 124.4531 56.2710 42.5694 173.1734 87 E 4.1172 8.0612 127.9718 56.1901 29.2426 176.3419 88 V 3.9522 8.6814 128.8680 65.4165 32.3396 175.7386 89 E 4.8086 7.4094 117.5604 55.9030 32.8937 174.5780 90 T 5.0322 8.6300 120.8976 61.8966 70.9474 173.4858 91 I 4.3564 8.8107 128.0729 59.3913 38.9874 175.8910 92 S 4.5803 8.7561 123.2081 57.8700 63.5588 172.5986 93 P 4.6081 0.0000 0.0000 63.2906 32.1158 175.8742 94 S 4.6101 8.8984 116.7610 57.1808 65.5703 174.9305 95 D 4.2673 8.9509 126.3797 56.2558 41.0829 176.1467 96 E 4.6602 7.2897 117.2014 53.9440 32.5075 175.9839 97 Y 4.3397 8.4501 119.8721 58.6247 38.7123 175.9402 98 V 4.3783 9.0076 123.6139 61.2403 35.0416 174.2872 99 T 4.7708 8.2042 123.7981 63.1019 69.3972 173.6082 100 Y 4.5392 8.5086 124.3544 56.0814 41.1694 175.0930 101 I 4.6422 8.0689 122.3970 59.5931 40.6404 174.7186 102 L 4.7957 8.7132 127.0602 52.5238 45.2491 176.1665 103 D 4.8180 9.0064 123.8882 54.7599 41.7101 176.1472 104 V 4.2209 9.0799 123.6727 61.6064 32.3214 175.1090 105 D 4.6170 8.6621 127.2259 53.8778 41.4202 176.8790 106 F 3.5400 7.1697 122.0040 58.6573 39.4995 174.1716 107 D 4.6265 8.2196 125.2911 52.9434 39.7223 175.7713 108 L 4.5692 5.9665 118.4559 51.9023 44.8016 174.2850 109 P 4.7544 0.0000 0.0000 63.1024 32.2511 175.7213 110 F 5.4231 8.8291 116.6769 55.3366 41.0794 174.7754 111 D 4.9622 9.2529 120.0196 53.2522 41.0000 175.6614 112 R 5.9054 8.0095 118.0299 53.7923 34.8724 173.8699 113 I 4.9783 8.6730 122.7783 59.4736 40.4273 174.1850 114 A 5.2140 8.9054 128.9033 49.9533 22.5562 174.7626 115 F 5.0139 9.1620 119.2693 55.6755 42.1764 174.1133 116 Q 4.8550 9.1359 125.4036 54.0255 32.2818 174.7371 117 D 4.5965 9.2153 126.1491 53.3700 38.9504 175.7859 118 A 4.1796 8.3593 124.5139 54.4662 17.1853 177.7970 119 P 4.3421 0.0000 0.0000 63.4238 31.8949 177.8183 120 G 3.0308 8.1488 106.5073 46.3178 0.0000 174.5624 121 N 4.5409 7.5785 112.8774 52.6718 39.0314 176.1246 122 G 3.8554 8.1537 106.6586 44.5702 0.0000 173.3342 123 D 4.4326 7.9867 119.6805 54.4926 41.7610 176.6526 124 R 4.3563 8.8731 122.5574 56.5107 31.6603 175.8066 125 I 5.1680 7.9477 121.2027 59.5646 41.7993 174.2235 126 W 5.2337 9.7799 126.6359 54.9997 32.1327 174.7004 127 I 5.4269 8.9937 124.6204 59.7489 40.7116 174.6739 128 K 4.9809 8.7522 123.6613 54.7595 36.7348 175.3453 129 N 4.0179 7.9840 116.8219 54.2486 36.4196 174.3767 130 L 4.9581 6.9498 120.4351 54.1204 44.0079 176.4287 131 V 5.0083 9.1962 126.0373 61.5065 35.6505 173.2066 132 H 5.3908 9.2619 126.6016 54.5184 32.2415 173.0155 133 S 5.0128 8.9638 119.6715 56.5163 65.0385 174.6815 134 T 3.9938 8.2938 115.3852 63.4637 69.6715 174.4255 135 G 4.0000 7.8162 112.4527 43.7535 0.0000 172.9728 136 S 4.9458 8.2553 113.8528 56.9003 64.5999 174.1835 137 A 4.1991 9.4042 124.0321 55.4897 18.1905 179.9951 138 D 4.4237 8.1758 114.2486 57.3179 40.9862 176.9565 139 D 4.7185 7.9153 116.2741 53.9626 41.0033 176.0133 140 F 4.2425 8.0695 123.1861 57.8942 39.4554 174.8243 141 V 4.0809 8.5140 129.3763 60.6380 31.5310 174.6343 142 D 4.4795 8.5868 128.2914 53.7058 41.1146 175.1671 143 P 4.1387 0.0000 0.0000 65.2546 31.1050 178.5328 144 I 3.5999 7.7286 119.0455 64.6067 37.0417 177.7103 145 N 4.3530 8.2410 116.7554 55.8554 38.4420 177.3291 146 L 3.7816 7.5973 122.1015 57.5659 41.9664 177.7534 147 E 4.2486 7.5702 116.9910 57.6907 29.7571 177.4610 148 H 4.6540 7.5461 114.5973 58.5318 29.3473 176.0588 149 H 4.8496 7.5000 113.5640 55.4500 28.4997 176.0011 150 H 4.1389 8.1917 118.6317 59.1676 28.2915 176.3964 151 H 4.0697 7.8319 116.6478 58.6291 28.7977 175.4584 *152 H 4.6648 7.5171 119.1252 54.1637 29.7204 177.6070 153 H 4.4666 8.1415 117.8790 56.0947 28.0396 173.0833 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 3 V 8.05 3.99 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 0.88 0.00 0.00 0.93 0.00 0.00 4 R 7.87 3.71 0.00 1.88 1.90 0.00 3.26 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 5 A 9.32 3.97 0.89 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 0.00 0.00 6 T 8.56 4.37 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 1.26 0.00 0.00 7 Y 8.63 4.91 0.00 2.78 2.84 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 8 T 9.27 4.61 4.51 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 1.56 0.00 0.00 9 V 8.50 4.03 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 0.80 0.00 0.00 0.98 0.00 0.00 10 I 9.15 4.33 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.96 0.57 0.00 0.00 11 F 7.53 4.64 0.00 3.05 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 12 K 9.13 4.38 0.00 1.78 1.65 0.00 1.95 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.30 7.81 13 N 9.05 5.15 0.00 2.80 2.77 0.00 0.00 6.55 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 14 A 9.01 4.76 1.12 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 0.00 0.00 15 S 7.98 4.58 0.00 3.89 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 16 G 6.48 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 17 L 8.24 3.94 0.00 1.63 1.68 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.31 0.00 2.11 2.22 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 19 N 8.81 4.44 0.00 2.80 2.84 0.00 0.00 7.00 7.65 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 20 G 9.09 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 0.00 0.00 0.00 0.00 21 Y 8.05 5.03 0.00 3.06 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 22 D 8.94 5.10 0.00 2.85 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 23 N 8.95 5.42 0.00 2.84 2.83 0.00 0.00 6.84 7.95 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 24 W 9.42 4.95 0.00 3.19 3.27 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 25 G 8.94 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 0.00 0.00 0.00 0.00 26 W 7.89 5.11 0.00 3.51 3.30 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 27 G 9.10 4.13 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 0.00 0.00 0.00 28 C 7.87 5.28 0.00 2.70 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 29 T 8.61 4.68 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 1.18 0.00 0.00 30 L 8.34 5.11 0.00 1.44 1.31 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.22 4.63 0.00 3.78 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 32 Y 8.26 5.37 0.00 2.86 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 33 Y 8.98 4.80 0.00 3.04 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 34 G 8.73 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 0.00 0.00 0.00 35 G 8.53 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 36 A 8.05 5.12 1.63 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 0.00 0.00 37 M 9.13 4.19 0.00 2.07 1.78 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 38 I 8.12 4.27 1.60 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.82 0.13 0.00 0.00 39 I 8.51 4.14 1.65 0.00 0.00 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 0.93 0.34 0.75 0.00 0.00 40 N 8.70 5.01 0.00 2.50 2.62 0.00 0.00 6.78 8.31 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 41 P 0.00 4.77 0.00 2.10 1.82 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.98 0.00 42 Q 8.96 4.41 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 43 E 8.70 3.90 0.00 1.87 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 2.23 2.37 0.00 44 G 9.15 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 0.00 0.00 0.00 45 K 7.57 4.53 0.00 1.84 2.09 0.00 2.02 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.58 7.81 46 Y 7.61 3.77 0.00 3.36 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 G 7.93 3.62 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 0.00 0.00 0.00 48 A 7.50 4.91 0.33 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 0.00 0.00 0.00 49 V 8.36 4.54 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 1.13 0.00 0.00 0.87 0.00 0.00 50 S 8.93 4.97 0.00 4.06 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 51 L 9.31 4.83 0.00 1.92 1.86 1.19 0.69 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 52 K 9.07 4.72 0.00 1.23 1.23 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.70 7.81 53 R 8.59 3.19 0.00 1.61 1.60 0.00 2.28 0.00 0.00 2.65 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.41 0.00 54 N 8.41 4.45 0.00 2.43 2.80 0.00 0.00 6.76 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 55 S 7.20 4.26 0.00 3.83 3.53 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 56 G 9.18 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 57 S 7.60 4.46 0.00 3.54 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.09 4.48 0.00 1.51 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 59 R 8.22 4.64 0.00 1.73 1.76 0.00 3.37 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 60 G 10.18 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 0.00 0.00 0.00 61 G 8.54 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 62 S 9.01 5.16 0.00 3.91 3.96 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 0.00 0.00 0.00 63 L 9.00 5.25 0.00 1.73 1.82 0.85 0.91 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 64 R 9.29 5.35 0.00 0.79 1.59 0.00 3.51 0.00 0.00 3.54 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.14 0.00 65 F 7.69 5.82 0.00 3.10 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 66 D 8.90 5.52 0.00 2.70 2.66 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 67 M 9.46 6.23 0.00 2.56 2.35 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.69 0.00 68 K 8.38 5.12 0.00 1.64 1.49 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.78 7.81 69 N 8.56 5.14 0.00 2.93 3.02 0.00 0.00 7.31 7.28 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 70 E 9.42 4.30 0.00 2.00 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 0.00 2.44 2.57 0.00 71 G 7.64 4.67 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 0.00 0.00 0.00 72 K 8.63 4.57 0.00 1.75 1.76 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.46 7.81 73 V 8.81 4.70 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 1.06 0.00 0.00 1.03 0.00 0.00 74 K 9.09 4.71 0.00 1.84 1.64 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.35 7.81 75 I 8.82 4.57 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.02 0.61 0.00 0.00 76 L 8.63 5.21 0.00 1.44 1.43 0.85 0.84 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 77 V 8.24 4.82 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 -0.08 0.00 0.00 0.33 0.00 0.00 78 E 9.12 5.19 0.00 2.00 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 0.00 2.24 2.28 0.00 79 N 9.22 5.36 0.00 3.23 2.92 0.00 0.00 7.27 6.78 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 80 S 9.94 4.31 0.00 3.98 4.08 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 81 E 8.43 3.95 0.00 2.12 2.04 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 2.35 2.27 0.00 82 A 8.86 4.15 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 83 D 7.61 4.40 0.00 2.76 2.68 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 84 E 8.56 4.85 0.00 2.30 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 2.75 2.58 0.00 85 K 8.84 4.99 0.00 1.61 1.63 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.43 7.81 86 F 8.65 4.31 0.00 1.60 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 0.00 0.00 0.00 0.00 87 E 8.06 4.12 0.00 1.77 1.53 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 2.15 2.18 0.00 88 V 8.68 3.95 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 0.79 0.00 0.00 0.88 0.00 0.00 89 E 7.41 4.81 0.00 2.08 1.70 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 2.13 2.23 0.00 90 T 8.63 5.03 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 1.21 0.00 0.00 91 I 8.81 4.36 1.74 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.62 0.66 0.00 0.00 92 S 8.76 4.58 0.00 3.81 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 93 P 0.00 4.61 0.00 1.95 2.07 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 94 S 8.90 4.61 0.00 3.92 3.70 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 95 D 8.95 4.27 0.00 2.62 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 96 E 7.29 4.66 0.00 1.72 1.79 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 0.00 2.16 2.35 0.00 97 Y 8.45 4.34 0.00 2.90 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 98 V 9.01 4.38 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 0.17 0.00 0.00 0.93 0.00 0.00 99 T 8.20 4.77 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 1.04 0.00 0.00 100 Y 8.51 4.54 0.00 1.93 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 0.00 101 I 8.07 4.64 1.66 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.30 0.25 0.00 0.00 102 L 8.71 4.80 0.00 1.59 1.55 1.04 0.81 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 0.00 103 D 9.01 4.82 0.00 2.60 2.64 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 0.00 104 V 9.08 4.22 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 0.56 0.00 0.00 0.84 0.00 0.00 105 D 8.66 4.62 0.00 2.80 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 0.00 106 F 7.17 3.54 0.00 2.02 2.72 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 0.00 107 D 8.22 4.63 0.00 2.72 2.66 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 0.00 108 L 5.97 4.57 0.00 0.52 1.27 0.87 0.92 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 0.00 109 P 0.00 4.75 0.00 1.90 1.91 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 110 F 8.83 5.42 0.00 3.38 3.45 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 0.00 0.00 0.00 0.00 111 D 9.25 4.96 0.00 2.58 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 0.00 112 R 8.01 5.91 0.00 1.99 1.90 0.00 3.27 0.00 0.00 3.38 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.00 113 I 8.67 4.98 1.98 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.11 0.61 0.00 0.00 114 A 8.91 5.21 1.14 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 0.00 115 F 9.16 5.01 0.00 2.88 2.85 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 0.00 0.00 0.00 116 Q 9.14 4.86 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.08 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 117 D 9.22 4.60 0.00 2.71 2.58 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 0.00 118 A 8.36 4.18 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 0.00 119 P 0.00 4.34 0.00 2.19 2.13 0.00 3.95 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 120 G 8.15 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 0.00 0.00 0.00 121 N 7.58 4.54 0.00 2.64 2.81 0.00 0.00 7.07 7.53 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 0.00 122 G 8.15 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 0.00 123 D 7.99 4.43 0.00 2.60 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 0.00 124 R 8.87 4.36 0.00 1.76 0.67 0.00 2.88 0.00 0.00 2.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 125 I 7.95 5.17 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.98 0.88 0.00 0.00 126 W 9.78 5.23 0.00 3.17 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 0.00 127 I 8.99 5.43 1.88 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.61 0.76 0.00 0.00 128 K 8.75 4.98 0.00 1.57 1.58 0.00 1.63 0.00 0.00 1.08 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.65 1.50 7.81 129 N 7.98 4.02 0.00 2.84 2.77 0.00 0.00 6.95 6.88 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 0.00 130 L 6.95 4.96 0.00 1.37 0.80 1.17 0.81 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 0.00 131 V 9.20 5.01 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 1.21 0.00 0.00 1.01 0.00 0.00 132 H 9.26 5.39 0.00 2.66 2.68 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.96 5.01 0.00 3.41 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 0.00 134 T 8.29 3.99 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 1.25 0.00 0.00 135 G 7.82 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 0.00 136 S 8.26 4.95 0.00 4.15 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 0.00 137 A 9.40 4.20 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 0.00 138 D 8.18 4.42 0.00 2.71 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 0.00 139 D 7.92 4.72 0.00 2.75 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 0.00 140 F 8.07 4.24 0.00 3.26 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 0.00 141 V 8.51 4.08 1.95 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 0.74 0.00 0.00 0.95 0.00 0.00 142 D 8.59 4.48 0.00 3.04 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 0.00 143 P 0.00 4.14 0.00 2.13 1.91 0.00 3.61 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.73 0.00 144 I 7.73 3.60 2.00 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 1.60 0.50 0.83 0.00 0.00 145 N 8.24 4.35 0.00 2.84 2.88 0.00 0.00 6.78 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.60 3.78 0.00 1.83 1.51 0.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 147 E 7.57 4.25 0.00 1.90 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 2.31 2.31 0.00 148 H 7.55 4.65 0.00 3.35 3.31 0.00 5.70 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 7.50 4.85 0.00 3.26 3.47 0.00 5.28 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 H 8.19 4.14 0.00 3.25 3.60 0.00 5.53 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 H 7.83 4.07 0.00 3.23 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *152 H 7.52 4.66 0.00 2.56 3.11 0.00 5.85 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 0.00 153 H 8.14 4.47 0.00 3.18 3.20 0.00 5.53 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 * Residues marked with a * may have inaccurate shift predictions.