NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7210 8.2676 119.2065 53.1341 38.9345 174.6805 3 E 3.8590 8.6945 124.7278 58.1969 29.7285 176.7701 4 L 4.1407 8.1019 117.9902 54.7790 43.1342 178.5944 5 V 3.5460 8.1882 123.4491 63.4939 31.6294 172.4608 6 D 4.5492 7.1489 122.4350 51.7210 43.4229 175.6413 7 T 3.9083 8.3449 124.3778 67.0116 68.6157 176.4675 8 T 3.8071 7.8892 117.0665 67.0197 68.3823 176.2692 9 E 4.0240 8.6754 120.1298 59.6757 29.4017 179.4210 10 M 4.2100 8.2303 118.9050 58.3579 31.8801 178.3695 11 Y 3.8615 8.6845 117.3082 61.0187 38.0757 178.3341 12 L 4.0436 8.2587 120.0875 58.2522 41.7928 179.8484 13 R 4.0124 8.3419 118.0567 59.1804 29.9447 178.7537 14 T 3.8795 8.1171 116.0521 66.6387 68.5350 176.6376 15 I 3.7117 7.9518 121.8721 64.5839 37.0898 177.7965 16 Y 3.9607 8.2913 120.2773 60.7365 38.6128 177.7515 17 D 4.4187 8.4599 119.8696 57.6797 41.0427 178.9757 18 L 4.0109 8.0467 119.1493 57.8573 41.4157 179.5338 19 E 3.9666 8.0350 118.5459 59.2215 29.1318 179.1277 20 E 3.8483 7.8914 118.1013 58.9453 29.5787 178.4009 21 E 4.2921 8.0446 116.5552 56.0889 29.8219 177.2173 22 G 3.7911 7.4248 107.0758 46.1861 0.0000 173.7775 23 V 4.3221 7.4063 112.2563 59.5230 34.1530 175.6614 24 T 4.1991 8.1876 118.8009 62.5038 69.2910 173.2660 25 P 4.4467 0.0000 0.0000 62.6233 32.1415 175.4114 26 L 5.0736 8.1171 124.4389 52.2927 44.8722 178.3445 27 R 3.8468 8.7083 121.0280 59.5826 29.5430 178.8868 28 A 4.0710 8.1435 122.3856 55.9705 18.3478 180.4487 29 R 3.9477 8.5806 119.3832 61.2840 29.3109 181.0692 30 I 3.7311 7.6269 118.7868 64.4894 37.1861 177.7971 31 A 4.0140 7.6824 123.7375 56.2222 17.8433 180.2847 32 E 3.9270 7.6184 114.6719 61.3082 29.9582 181.1260 33 R 4.3438 7.5857 118.1615 57.9937 30.3485 178.0125 34 L 4.3571 8.0047 116.4614 53.0776 43.2488 175.9507 35 D 4.3408 7.7590 117.3188 55.5443 39.2860 171.9427 36 Q 4.7601 8.0372 119.4937 53.5499 32.6886 175.5470 37 S 4.3437 8.5791 118.2201 58.4113 64.6118 175.5000 38 G 3.9394 8.8595 113.1549 47.9740 0.0000 174.0963 39 P 4.3245 0.0000 0.0000 65.3679 31.2814 178.9422 40 T 3.9085 7.7652 114.0970 66.7096 68.4806 176.8044 41 V 4.1584 8.2231 116.0476 64.1996 31.7879 178.3016 42 S 4.1829 8.2783 112.6314 61.7015 61.9864 176.4495 43 Q 3.9216 8.2243 121.9513 59.4340 28.9225 178.0004 44 T 3.6770 8.1301 117.1165 66.5008 68.4141 176.5496 45 V 3.6305 8.4307 120.3512 66.3698 31.5932 178.0752 46 S 4.2106 8.0899 116.8005 62.4767 62.3172 177.7635 47 R 3.9625 8.1173 123.2931 61.6978 29.1923 180.7595 48 M 4.3598 8.5238 119.9265 57.8712 31.7881 178.5004 49 E 4.4883 8.1948 121.0587 59.0028 29.6549 179.1444 50 R 4.0378 7.7977 116.4220 58.4886 30.0598 177.7339 51 D 4.8859 7.3623 115.2661 53.4483 41.1728 176.6684 52 G 3.8980 7.8005 106.7798 46.3220 0.0000 174.6996 53 L 4.6816 8.0852 121.9179 55.2774 44.0726 176.4742 54 L 5.2919 7.8455 119.1592 54.8566 44.6254 175.8897 55 R 4.8792 9.1557 120.0124 54.9782 33.0722 175.8551 56 V 4.0750 8.2800 124.4793 60.9026 31.8980 175.9722 57 A 4.2455 8.9232 132.0441 51.4339 18.9213 178.2338 58 G 3.6936 8.6826 108.8034 48.0300 0.0000 174.1898 59 D 4.7380 8.3188 120.6564 53.6007 39.6353 178.6538 60 R 4.2447 8.7442 120.1319 56.8274 29.2964 180.2061 61 H 4.5054 7.6572 110.9960 56.0463 29.2023 174.2637 62 L 4.8874 8.5353 122.3794 53.9571 43.1206 175.9011 63 E 4.7027 8.7436 122.9511 54.2765 33.2918 174.4763 64 L 4.6617 7.9655 127.2370 54.7775 42.6918 178.0529 65 T 4.1854 8.4423 114.1977 61.5241 71.0165 175.3022 66 E 4.0234 8.5916 119.3120 59.1080 29.4876 179.0691 67 K 3.9509 8.1718 119.5336 59.7887 32.2728 178.9220 68 G 3.6805 8.4425 106.0314 47.6724 0.0000 175.5153 69 R 4.0643 8.0657 120.7510 59.0200 30.1485 178.3417 70 A 4.0350 8.1209 120.7408 55.0893 18.3079 179.6745 71 L 3.9185 7.8886 116.8606 57.7218 41.6401 179.4835 72 A 3.9012 7.9593 120.7443 55.1672 18.2800 179.6416 73 I 3.1674 7.6632 117.9673 64.3449 37.2113 178.4614 74 A 3.9387 7.8243 121.4249 55.1629 18.1632 179.7709 75 V 3.5080 7.8447 116.7706 66.4634 31.5773 177.9607 76 M 4.0225 8.0598 118.0071 58.4942 31.9855 178.1837 77 R 3.8938 8.3279 119.4797 59.2516 30.1895 178.7341 78 K 4.0044 8.1136 118.4098 59.4848 31.9893 178.5293 79 H 4.0679 8.5596 119.0002 59.7722 29.7843 177.5395 80 R 3.9186 8.2274 119.5208 59.0288 29.8134 179.1701 81 L 3.9767 8.0643 118.8316 57.5642 41.5562 179.1598 82 A 4.0405 8.3654 121.1633 55.3849 18.2604 179.5507 83 E 3.7624 8.2397 117.0429 59.4837 29.4598 179.8518 84 R 3.7930 7.9399 118.0683 58.9764 30.1514 178.6023 85 L 3.9095 8.2036 120.5093 58.3817 42.0569 179.0330 86 L 3.8421 8.0284 119.0064 57.7029 41.6104 179.8246 87 V 3.5907 7.7566 117.9194 66.0211 31.3716 177.8623 88 D 4.4630 8.3132 117.7026 56.1304 40.8444 177.1764 89 V 4.1867 7.5654 116.6271 64.4869 33.0128 176.9409 90 I 3.8533 7.7606 118.6640 62.2904 37.1995 176.6718 91 G 3.8556 8.1806 106.7057 45.6994 0.0000 173.0977 92 L 4.0878 7.7674 121.2913 53.4499 42.7814 175.0386 93 P 4.3187 0.0000 0.0000 62.5428 31.9390 177.3149 94 W 4.3412 8.9410 119.6958 60.0153 27.6110 178.2730 95 E 4.0691 7.6089 117.3961 58.0172 28.9504 177.5985 96 E 4.6207 8.2419 117.1761 56.1587 30.9830 178.2869 97 V 3.5689 7.7028 113.6111 64.3707 31.3478 177.8080 98 H 4.6645 8.6138 118.1002 58.8165 29.8965 176.7535 99 A 4.1290 7.9469 121.0838 54.8669 18.5689 178.8804 100 E 3.9584 7.8910 117.5522 59.0606 29.9462 180.6237 101 A 4.1798 7.9627 123.5173 51.5777 18.5990 179.7142 *103 R 4.3953 7.9781 121.7618 57.5810 32.5280 178.7431 104 W 4.3348 8.5090 117.6921 59.3588 29.1959 178.2517 105 E 4.0626 8.5102 116.3731 59.1786 28.8241 177.6143 106 H 5.0568 7.7531 113.8264 55.9460 29.1380 175.9386 107 V 4.3387 7.6238 110.5907 60.7460 33.1998 175.3644 108 M 4.2215 7.9275 120.7115 54.8361 32.9783 176.4543 109 S 4.4996 8.3768 120.8654 57.7803 65.6972 174.9970 110 E 4.1456 8.6628 122.0569 59.7749 29.1624 179.3876 111 D 4.3340 8.0459 118.3928 57.3699 40.9734 178.8319 112 V 3.5793 7.8244 118.6451 65.9636 31.4575 177.7113 113 E 3.9723 8.1767 118.3204 59.7765 28.9577 179.7190 114 R 3.9293 8.2446 117.9869 59.2445 30.0757 179.4178 115 R 3.9973 8.0409 117.9601 59.2327 30.0321 178.9958 116 L 4.0691 8.4728 119.1989 57.7936 41.5295 179.6224 117 V 3.6136 8.0592 118.3258 65.9296 31.3466 178.3780 118 K 3.9520 7.7368 116.7817 59.5891 31.8224 179.5139 119 V 3.5545 8.0273 117.8149 65.7178 31.5045 176.5371 120 L 4.3590 8.2719 117.3643 54.0349 41.9918 176.2032 121 N 4.0469 8.2945 114.8438 55.2420 36.0840 174.6317 122 N 4.1620 8.9647 115.7035 53.7045 37.0307 173.8732 123 P 4.4550 0.0000 0.0000 62.9905 32.7645 176.9263 124 T 4.5531 8.4584 108.7511 61.4134 70.4232 173.3615 125 T 5.0304 7.4569 110.8810 59.4733 72.1682 173.2933 126 S 4.4035 8.6925 117.8595 56.9916 63.9079 173.4588 127 P 4.0317 0.0000 0.0000 64.7414 30.8696 177.4984 128 F 4.7279 7.6360 115.1532 57.0006 38.8968 176.8822 129 G 3.9695 8.1617 109.6917 45.1641 0.0000 173.8387 130 N 4.7976 7.8533 118.2496 51.8322 39.9223 172.8916 131 P 4.8061 0.0000 0.0000 63.0831 32.2317 175.9197 132 I 4.1471 8.5437 125.1582 60.4452 37.0892 174.5223 133 P 4.4951 0.0000 0.0000 62.9504 32.7761 176.7593 134 G 4.3989 8.7466 104.6224 46.2888 0.0000 175.6845 135 L 4.0527 7.3965 122.4866 57.1583 41.5501 179.6492 136 V 3.9245 7.6000 119.4296 65.6637 31.6231 177.8528 137 E 4.0370 8.1547 117.7226 59.1152 29.0711 178.8679 138 L 4.0564 7.7292 120.1327 56.7706 42.1130 177.7501 139 G 4.1465 7.6878 105.2702 45.4332 0.0000 174.2518 140 V 4.2006 7.5639 111.1412 61.0279 33.0480 175.4019 141 A 4.7050 7.5332 121.3737 50.7687 22.1395 174.6025 142 S 4.8079 8.3614 114.4200 56.7753 66.4801 173.4736 143 E 4.8041 8.4725 120.3097 54.6575 31.9797 175.2117 144 N 5.1165 8.2939 117.1488 51.1597 40.7205 173.3058 145 L 4.4679 8.4596 120.7963 53.7358 43.5153 176.3381 *146 Y 4.6279 8.0809 121.3306 54.8247 38.6245 173.3375 147 F 4.2821 9.1427 127.0781 56.8773 39.9918 176.3790 *148 Q 4.2441 8.6500 122.1107 55.1585 28.1238 173.3998 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 N 8.27 4.72 0.00 2.82 2.82 0.00 0.00 6.82 6.77 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 3 E 8.69 3.86 0.00 2.22 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 2.30 2.36 0.00 4 L 8.10 4.14 0.00 1.87 1.78 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.19 3.55 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 0.73 0.00 0.00 1.01 0.00 0.00 6 D 7.15 4.55 0.00 2.69 2.35 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 7 T 8.34 3.91 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 1.06 0.00 0.00 8 T 7.89 3.81 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 1.21 0.00 0.00 9 E 8.68 4.02 0.00 2.22 2.12 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 2.37 2.58 0.00 10 M 8.23 4.21 0.00 2.12 2.34 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.92 0.00 11 Y 8.68 3.86 0.00 3.16 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 12 L 8.26 4.04 0.00 1.92 1.78 0.95 1.20 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 13 R 8.34 4.01 0.00 2.10 1.95 0.00 3.02 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 14 T 8.12 3.88 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 1.13 0.00 0.00 15 I 7.95 3.71 2.08 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 1.44 0.99 0.96 0.00 0.00 16 Y 8.29 3.96 0.00 3.13 3.12 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 17 D 8.46 4.42 0.00 2.97 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 18 L 8.05 4.01 0.00 1.85 1.70 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.03 3.97 0.00 1.96 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 2.28 2.52 0.00 20 E 7.89 3.85 0.00 2.02 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 2.20 1.94 0.00 21 E 8.04 4.29 0.00 1.92 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 2.29 2.44 0.00 22 G 7.42 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.41 4.32 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 0.68 0.00 0.00 0.91 0.00 0.00 24 T 8.19 4.20 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 25 P 0.00 4.45 0.00 2.22 2.03 0.00 3.61 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 26 L 8.12 5.07 0.00 1.66 1.52 0.92 0.96 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 27 R 8.71 3.85 0.00 1.87 2.03 0.00 3.15 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 28 A 8.14 4.07 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.58 3.95 0.00 1.79 1.95 0.00 3.27 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 30 I 7.63 3.73 1.84 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 1.39 0.43 0.13 0.00 0.00 31 A 7.68 4.01 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 32 E 7.62 3.93 0.00 2.11 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 2.26 2.22 0.00 33 R 7.59 4.34 0.00 1.67 1.97 0.00 3.08 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 34 L 8.00 4.36 0.00 1.54 1.65 0.61 0.96 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 35 D 7.76 4.34 0.00 2.70 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 36 Q 8.04 4.76 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.50 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 37 S 8.58 4.34 0.00 4.03 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 38 G 8.86 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 39 P 0.00 4.32 0.00 2.18 2.12 0.00 3.55 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 40 T 7.77 3.91 4.42 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 1.34 0.00 0.00 41 V 8.22 4.16 2.17 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 1.22 0.00 0.00 1.09 0.00 0.00 42 S 8.28 4.18 0.00 4.06 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 43 Q 8.22 3.92 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 44 T 8.13 3.68 3.72 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 0.39 0.00 0.00 45 V 8.43 3.63 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 1.08 0.00 0.00 1.11 0.00 0.00 46 S 8.09 4.21 0.00 4.10 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 47 R 8.12 3.96 0.00 1.81 1.93 0.00 3.27 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 48 M 8.52 4.36 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 49 E 8.19 4.49 0.00 2.13 2.17 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 2.31 2.36 0.00 50 R 7.80 4.04 0.00 2.11 1.98 0.00 3.18 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 51 D 7.36 4.89 0.00 2.66 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 52 G 7.80 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 0.00 0.00 0.00 53 L 8.09 4.68 0.00 1.82 1.72 0.92 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.85 5.29 0.00 1.85 1.73 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 55 R 9.16 4.88 0.00 1.42 1.79 0.00 3.26 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 56 V 8.28 4.08 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 0.88 0.00 0.00 1.01 0.00 0.00 57 A 8.92 4.25 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.68 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 0.00 0.00 0.00 59 D 8.32 4.74 0.00 2.83 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 60 R 8.74 4.24 0.00 1.98 2.12 0.00 3.27 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 61 H 7.66 4.51 0.00 3.31 3.45 0.00 5.22 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.54 4.89 0.00 1.59 1.64 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.74 4.70 0.00 1.93 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 0.00 2.21 2.30 0.00 64 L 7.97 4.66 0.00 1.66 1.64 1.06 0.93 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 65 T 8.44 4.19 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 1.23 0.00 0.00 66 E 8.59 4.02 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 2.42 2.38 0.00 67 K 8.17 3.95 0.00 1.82 1.99 0.00 1.73 0.00 0.00 1.94 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.53 7.81 68 G 8.44 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 0.00 0.00 0.00 69 R 8.07 4.06 0.00 2.04 2.01 0.00 3.16 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 70 A 8.12 4.04 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 71 L 7.89 3.92 0.00 1.87 1.73 0.93 0.70 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 72 A 7.96 3.90 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 73 I 7.66 3.17 1.97 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 1.49 0.76 0.89 0.00 0.00 74 A 7.82 3.94 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 75 V 7.84 3.51 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 1.07 0.00 0.00 1.01 0.00 0.00 76 M 8.06 4.02 0.00 1.97 1.70 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 77 R 8.33 3.89 0.00 2.07 2.06 0.00 3.15 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 78 K 8.11 4.00 0.00 2.05 1.87 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.73 7.81 79 H 8.56 4.07 0.00 3.52 3.54 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 80 R 8.23 3.92 0.00 1.92 1.97 0.00 3.25 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 81 L 8.06 3.98 0.00 1.72 1.73 0.98 0.94 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 82 A 8.37 4.04 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 83 E 8.24 3.76 0.00 2.05 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 2.31 2.26 0.00 84 R 7.94 3.79 0.00 1.96 1.93 0.00 3.45 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 85 L 8.20 3.91 0.00 1.74 1.94 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.03 3.84 0.00 1.70 1.51 0.32 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.76 3.59 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 1.01 0.00 0.00 0.88 0.00 0.00 88 D 8.31 4.46 0.00 2.79 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 89 V 7.57 4.19 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 0.81 0.00 0.00 0.94 0.00 0.00 90 I 7.76 3.85 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.93 0.00 0.00 91 G 8.18 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 92 L 7.77 4.09 0.00 1.55 1.51 0.89 0.70 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 93 P 0.00 4.32 0.00 2.10 1.81 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 94 W 8.94 4.34 0.00 3.53 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 95 E 7.61 4.07 0.00 1.65 1.90 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 1.97 1.93 0.00 96 E 8.24 4.62 0.00 2.02 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 2.18 2.23 0.00 97 V 7.70 3.57 2.00 0.00 0.00 0.00 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 1.15 0.00 0.00 98 H 8.61 4.66 0.00 3.33 3.40 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.95 4.13 1.33 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 0.00 100 E 7.89 3.96 0.00 1.92 1.74 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 1.49 1.51 0.00 101 A 7.96 4.18 1.16 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 0.00 0.00 *103 R 7.98 4.40 0.00 2.35 2.23 0.00 3.23 0.00 0.00 3.42 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 104 W 8.51 4.33 0.00 3.33 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 0.00 105 E 8.51 4.06 0.00 2.19 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 2.23 1.79 0.00 106 H 7.75 5.06 0.00 3.27 3.46 0.00 5.55 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.62 4.34 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 0.67 0.00 0.00 0.86 0.00 0.00 108 M 7.93 4.22 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 109 S 8.38 4.50 0.00 4.08 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 0.00 110 E 8.66 4.15 0.00 2.03 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 2.55 2.41 0.00 111 D 8.05 4.33 0.00 2.68 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 0.00 112 V 7.82 3.58 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 0.95 0.00 0.00 0.92 0.00 0.00 113 E 8.18 3.97 0.00 2.28 2.00 0.00 0.00 0.00 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 2.61 0.00 114 R 8.24 3.93 0.00 1.85 1.98 0.00 3.13 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 115 R 8.04 4.00 0.00 2.00 1.98 0.00 3.30 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 116 L 8.47 4.07 0.00 1.84 1.74 0.98 0.87 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 0.00 117 V 8.06 3.61 2.24 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 1.03 0.00 0.00 1.00 0.00 0.00 118 K 7.74 3.95 0.00 2.07 1.83 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 119 V 8.03 3.55 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 0.77 0.00 0.00 0.97 0.00 0.00 120 L 8.27 4.36 0.00 1.68 1.65 0.92 0.91 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 0.00 121 N 8.29 4.05 0.00 2.87 2.87 0.00 0.00 6.99 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 0.00 122 N 8.96 4.16 0.00 2.79 2.84 0.00 0.00 6.86 8.68 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 0.00 123 P 0.00 4.46 0.00 2.16 2.03 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 124 T 8.46 4.55 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 1.25 0.00 0.00 125 T 7.46 5.03 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 1.21 0.00 0.00 126 S 8.69 4.40 0.00 4.12 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 0.00 127 P 0.00 4.03 0.00 0.83 1.71 0.00 3.33 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 128 F 7.64 4.73 0.00 3.05 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 0.00 129 G 8.16 3.97 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 0.00 0.00 0.00 130 N 7.85 4.80 0.00 2.75 2.81 0.00 0.00 6.86 8.03 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 0.00 131 P 0.00 4.81 0.00 2.10 2.07 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 132 I 8.54 4.15 1.88 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 1.29 0.54 0.92 0.00 0.00 133 P 0.00 4.50 0.00 2.26 2.30 0.00 3.80 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 134 G 8.75 4.40 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 0.00 135 L 7.40 4.05 0.00 1.88 1.73 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.60 3.92 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 1.36 0.00 0.00 0.97 0.00 0.00 137 E 8.15 4.04 0.00 2.22 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 2.41 2.43 0.00 138 L 7.73 4.06 0.00 1.90 1.80 0.92 1.01 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 0.00 139 G 7.69 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 0.00 140 V 7.56 4.20 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 1.02 0.00 0.00 141 A 7.53 4.71 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 0.00 142 S 8.36 4.81 0.00 3.83 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 0.00 143 E 8.47 4.80 0.00 1.92 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 2.19 2.25 0.00 144 N 8.29 5.12 0.00 2.78 2.75 0.00 0.00 5.98 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 0.00 145 L 8.46 4.47 0.00 1.47 1.12 0.77 0.59 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 *146 Y 8.08 4.63 0.00 2.31 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 0.00 147 F 9.14 4.28 0.00 2.99 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 *148 Q 8.65 4.24 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.65 0.00 0.00 0.00 0.00 0.00 2.21 1.90 0.00 * Residues marked with a * may have inaccurate shift predictions.