NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 I 4.1118 8.0249 121.4498 61.1962 38.0323 174.5413 21 I 4.0988 8.2443 127.1067 59.1551 38.3276 173.8840 22 D 4.4968 8.4507 125.1112 55.9658 42.7097 175.3772 23 R 4.3704 7.1674 111.9010 55.7528 31.4147 173.2350 24 I 4.1439 8.2382 119.1685 60.8208 38.2688 175.3319 25 D 4.6979 8.5649 124.4299 56.3823 42.7283 175.1419 26 H 5.4036 7.8880 110.0360 56.2114 31.3643 171.9489 27 L 4.6266 8.2898 117.0028 54.9543 43.7619 174.0491 28 V 4.8110 8.3290 119.3589 61.1695 33.5904 174.4014 29 L 4.7629 8.8706 127.9230 53.4179 44.3386 175.4257 30 T 4.9480 8.4749 120.2100 62.4043 70.2757 174.1915 31 V 4.7113 8.8336 119.7191 59.3584 35.4229 177.2238 32 S 4.0219 9.1725 117.1964 60.9335 62.6076 174.6931 33 D 4.7054 7.7940 119.9723 51.7177 43.6329 175.0591 34 I 3.7486 8.9742 129.4927 64.8539 37.2753 178.4405 35 S 4.1772 8.1227 115.0742 62.1475 62.8211 176.8785 36 T 3.9670 8.3556 118.2213 66.8612 68.1566 176.9957 37 T 4.0829 8.1069 117.7068 66.7493 68.4546 176.8440 38 I 3.9192 8.4446 122.1037 64.5536 37.0611 178.6531 39 R 3.9585 8.1721 118.8877 59.1428 29.8154 178.8575 40 F 3.9825 8.1529 119.7991 61.7191 39.4233 176.9516 41 Y 3.4448 8.2236 116.1621 60.5090 37.3595 178.4762 42 E 4.5759 8.4657 121.4208 59.1061 29.5670 179.1556 43 E 3.8828 8.1822 117.3986 58.7496 29.5013 178.3059 44 V 3.6772 7.2003 117.5774 64.7361 32.0253 176.9742 45 L 3.7036 6.8951 117.2502 54.9501 41.7547 178.0085 46 G 3.8639 7.5127 106.4972 45.7953 0.0000 173.7634 47 F 5.0934 8.0965 118.9861 57.2168 40.7333 174.2994 48 S 5.1671 8.8800 114.8223 56.5555 65.1960 173.3770 49 A 4.9421 9.1431 126.8459 51.8555 19.3797 176.7891 50 V 4.6707 9.0183 113.2744 60.1367 36.7455 174.4503 51 T 5.3605 8.4726 118.1107 62.0890 71.8110 173.6820 52 F 4.8665 8.8451 118.6947 55.7842 41.4700 174.2208 53 K 3.6481 9.1133 120.7582 57.7102 30.9757 179.1636 54 Q 4.2158 8.5703 119.4607 58.5008 25.8262 174.9782 55 N 4.0868 7.8026 112.8262 54.9332 38.3727 173.7456 56 R 3.9762 7.2303 113.6693 55.3566 31.4824 175.9369 57 K 5.1679 8.3838 121.1184 54.8987 35.4651 174.9100 58 A 5.2231 8.9554 123.7436 50.8504 23.6820 174.7749 59 L 5.1644 9.0715 119.2854 53.1367 44.6750 176.1096 60 I 4.7602 8.6496 125.0034 59.7379 40.3814 174.6814 61 F 4.7765 8.1204 116.7806 56.1266 41.0786 174.4233 62 G 3.6537 9.0461 110.2315 47.3921 0.0000 173.9790 63 A 4.5880 8.4731 123.4202 51.5497 19.4840 175.5127 64 Q 4.6795 7.4222 118.4062 56.1350 34.0417 174.0125 65 K 4.4997 7.9459 117.1829 56.3686 36.5091 174.7087 66 I 4.9415 8.8416 121.9894 59.6769 39.9377 174.9135 67 N 5.0728 9.2242 125.5415 52.7740 40.1113 174.1986 68 L 5.2267 8.6046 122.3712 53.3352 44.3722 175.6341 69 H 4.9607 9.1625 120.4012 54.2499 31.4474 174.2688 70 Q 4.8203 8.8599 122.7813 56.0383 29.5741 174.7635 *76 E 4.0922 7.8330 117.2478 55.8349 30.4951 173.3675 77 P 4.5737 0.0000 0.0000 62.6913 32.2713 174.7575 78 K 4.4957 7.9927 116.7138 55.3971 34.0808 175.2297 79 A 4.1774 8.4498 121.2753 52.1978 18.6923 178.8546 80 S 4.3993 8.6548 115.0908 60.8925 63.4776 175.0934 81 R 4.5592 7.1288 116.5999 52.9221 30.1780 171.7103 82 P 4.2742 0.0000 0.0000 62.9974 31.8717 176.4913 83 T 4.5622 8.2918 119.2982 61.0195 71.7531 171.7442 84 P 4.9332 0.0000 0.0000 63.4084 31.8869 176.8348 85 G 3.9614 9.1957 109.5266 46.8584 0.0000 173.8881 86 S 4.5086 7.6787 111.5159 57.8540 63.7523 173.8675 87 A 4.5352 7.6017 123.6760 51.4730 20.7145 176.3607 88 D 5.0171 8.6004 119.5995 52.6841 43.0585 174.1146 89 L 4.7941 9.0725 125.2025 52.5778 45.6954 175.0332 90 C 5.0935 8.2183 121.1308 57.6113 34.0425 172.9130 91 F 5.0944 9.2087 124.8567 55.7980 41.8618 174.3840 92 I 4.8629 8.5732 123.0651 60.5258 38.3030 174.9870 93 T 4.8673 8.9783 121.7161 60.4686 69.7002 173.9759 94 S 4.6505 8.7298 119.3386 58.5501 64.1548 174.5208 95 T 4.1214 7.6990 119.1002 62.3464 69.0497 172.7016 96 P 4.3362 0.0000 0.0000 63.1389 32.0393 176.8628 97 I 3.6455 9.0267 123.7674 64.6516 37.8406 177.6705 98 N 4.4312 8.0943 116.5059 56.1206 38.3570 177.0064 99 D 4.3820 8.1776 120.6880 57.0632 40.7858 178.8548 100 V 3.5150 7.5972 118.4524 65.8767 31.6300 177.9020 101 V 3.5397 7.7936 117.9806 66.1571 31.2334 177.9253 102 S 4.0734 7.9007 112.1537 61.4440 62.2967 175.8365 103 E 3.9199 8.3493 121.4049 59.4889 29.2724 179.4648 104 I 3.6476 7.9204 119.8148 64.3944 37.1727 178.5031 105 L 4.0056 7.9350 119.7072 58.0050 41.2650 179.6964 106 Q 4.0273 8.2558 116.6414 58.2290 28.6834 177.6594 107 A 4.3535 7.5561 119.3402 51.6704 18.7957 177.7561 108 G 3.8293 7.8632 105.3788 46.0569 0.0000 173.6259 109 I 4.3282 7.2927 119.4130 59.5534 38.3640 176.0773 110 S 4.3154 8.4842 120.9507 58.3153 63.4633 173.7332 111 I 4.3840 8.1036 125.6018 59.9662 37.8289 176.0491 112 V 3.7354 8.8433 126.9405 65.5713 31.7836 175.6358 113 E 4.5646 8.1377 117.3432 56.0679 32.0612 173.8636 114 G 4.1591 8.8348 109.5004 43.3123 0.0000 171.3076 115 P 4.7484 0.0000 0.0000 63.1167 31.9117 176.4100 116 V 4.6317 8.8182 115.2816 59.6200 36.5181 174.2728 117 E 4.6073 8.7760 123.4082 56.7564 30.2793 176.2522 118 R 4.8276 9.0126 122.1812 55.0173 35.7913 173.6960 119 T 4.5707 8.4425 110.6764 60.6126 70.2237 175.4158 120 G 3.8237 9.2351 116.6811 43.6302 0.0000 173.9984 121 A 4.2070 8.6927 121.6328 54.7485 18.3503 178.5063 122 T 4.6647 9.4451 103.0219 59.8265 69.9164 174.2307 123 G 4.0378 7.0989 108.8997 45.9201 0.0000 171.2110 124 E 4.6808 8.3523 120.6333 56.1333 30.3472 176.5414 125 I 4.6397 8.5470 118.3260 59.3389 42.0670 173.2822 126 M 4.8745 8.7340 123.0182 54.0453 34.0845 174.7535 127 S 5.1906 9.2960 122.1130 56.6261 66.7674 172.8766 128 I 4.8638 8.3140 122.3038 59.4519 41.1766 173.5011 129 Y 5.4107 9.2016 126.9884 56.4112 40.8766 174.8630 130 I 5.0518 8.9499 116.0425 59.8620 41.9840 173.5760 131 R 5.7440 8.6943 119.8466 53.4911 33.6170 175.8194 132 D 3.3700 8.1171 121.2998 50.7144 41.3474 175.1695 133 P 4.0313 0.0000 0.0000 65.4796 30.8161 177.2045 134 D 4.5234 8.1799 115.6853 54.2350 41.2715 177.6033 135 G 4.0284 8.0881 108.1411 44.6247 0.0000 173.7305 136 N 4.5885 8.3360 117.9249 53.2725 40.0018 173.8335 137 L 4.7725 8.8687 125.3620 54.4688 43.7654 175.2462 138 I 4.9064 9.2349 127.6844 59.6510 40.0918 174.0894 139 E 4.5608 9.5401 129.6356 54.6180 31.2975 174.4303 140 I 4.9732 8.5410 128.9700 59.9009 39.4145 175.2155 141 S 5.1344 9.2269 122.3511 56.7838 67.7243 172.6999 142 Q 4.9033 8.5321 122.4344 54.3464 32.2686 175.2151 143 Y 4.0827 8.6960 121.6658 58.3769 38.0340 175.5397 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 20 I 8.02 4.11 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 1.41 1.06 0.90 0.00 0.00 21 I 8.24 4.10 1.87 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 0.14 0.90 0.00 0.00 22 D 8.45 4.50 0.00 2.60 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 23 R 7.17 4.37 0.00 1.89 1.85 0.00 3.06 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.51 0.00 24 I 8.24 4.14 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.91 0.00 0.00 25 D 8.56 4.70 0.00 2.75 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 26 H 7.89 5.40 0.00 3.19 3.17 0.00 5.40 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.29 4.63 0.00 1.77 1.79 1.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.33 4.81 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 0.57 0.00 0.00 0.92 0.00 0.00 29 L 8.87 4.76 0.00 1.65 1.60 0.98 0.90 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 30 T 8.47 4.95 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 1.29 0.00 0.00 31 V 8.83 4.71 2.29 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 0.96 0.00 0.00 1.02 0.00 0.00 32 S 9.17 4.02 0.00 3.90 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 33 D 7.79 4.71 0.00 2.78 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 34 I 8.97 3.75 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.64 0.95 0.00 0.00 35 S 8.12 4.18 0.00 4.08 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 36 T 8.36 3.97 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 1.23 0.00 0.00 37 T 8.11 4.08 4.53 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 1.51 0.00 0.00 38 I 8.44 3.92 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.01 1.02 0.00 0.00 39 R 8.17 3.96 0.00 2.07 2.20 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.03 0.00 40 F 8.15 3.98 0.00 3.07 3.11 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 41 Y 8.22 3.44 0.00 3.25 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 42 E 8.47 4.58 0.00 2.06 2.01 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 2.64 2.53 0.00 43 E 8.18 3.88 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 44 V 7.20 3.68 1.05 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 0.34 0.00 0.00 0.46 0.00 0.00 45 L 6.90 3.70 0.00 0.71 0.36 0.24 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.51 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 47 F 8.10 5.09 0.00 3.08 2.98 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 48 S 8.88 5.17 0.00 3.92 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 49 A 9.14 4.94 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 50 V 9.02 4.67 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 0.75 0.00 0.00 1.10 0.00 0.00 51 T 8.47 5.36 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 1.16 0.00 0.00 52 F 8.85 4.87 0.00 3.10 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 53 K 9.11 3.65 0.00 1.92 1.34 0.00 2.00 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.63 7.81 54 Q 8.57 4.22 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 55 N 7.80 4.09 0.00 2.75 2.79 0.00 0.00 7.35 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 56 R 7.23 3.98 0.00 0.67 0.81 0.00 3.09 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.38 0.00 57 K 8.38 5.17 0.00 1.66 1.71 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.35 7.81 58 A 8.96 5.22 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 59 L 9.07 5.16 0.00 1.63 1.78 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.65 4.76 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.71 0.74 0.00 0.00 61 F 8.12 4.78 0.00 2.88 2.37 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 62 G 9.05 3.65 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 0.00 0.00 0.00 63 A 8.47 4.59 1.18 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 0.00 0.00 64 Q 7.42 4.68 0.00 1.17 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 65 K 7.95 4.50 0.00 1.72 1.60 0.00 1.08 0.00 0.00 1.39 0.00 0.00 2.53 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.16 1.30 7.81 66 I 8.84 4.94 1.92 0.00 0.00 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 1.63 1.30 0.94 0.00 0.00 67 N 9.22 5.07 0.00 2.70 2.86 0.00 0.00 6.40 7.58 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 68 L 8.60 5.23 0.00 1.57 1.62 1.00 0.80 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 69 H 9.16 4.96 0.00 3.08 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.86 4.82 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 *76 E 7.83 4.09 0.00 2.00 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 2.20 2.32 0.00 77 P 0.00 4.57 0.00 2.24 2.06 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 78 K 7.99 4.50 0.00 1.87 1.87 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.46 7.81 79 A 8.45 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 80 S 8.65 4.40 0.00 4.00 4.02 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 81 R 7.13 4.56 0.00 1.74 1.86 0.00 3.18 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 82 P 0.00 4.27 0.00 2.06 2.04 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 83 T 8.29 4.56 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 1.22 0.00 0.00 84 P 0.00 4.93 0.00 2.05 2.14 0.00 3.79 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 85 G 9.20 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 0.00 0.00 0.00 86 S 7.68 4.51 0.00 4.00 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 87 A 7.60 4.54 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 88 D 8.60 5.02 0.00 2.65 2.55 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 89 L 9.07 4.79 0.00 1.32 1.02 1.08 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 C 8.22 5.09 0.00 3.00 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 91 F 9.21 5.09 0.00 2.97 2.87 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 92 I 8.57 4.86 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.08 1.10 0.00 0.00 93 T 8.98 4.87 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 1.28 0.00 0.00 94 S 8.73 4.65 0.00 4.04 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 95 T 7.70 4.12 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 1.20 0.00 0.00 96 P 0.00 4.34 0.00 2.36 2.01 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 97 I 9.03 3.65 1.96 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 1.49 1.20 0.90 0.00 0.00 98 N 8.09 4.43 0.00 2.77 2.84 0.00 0.00 7.17 8.08 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 99 D 8.18 4.38 0.00 2.86 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 0.00 100 V 7.60 3.51 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 1.06 0.00 0.00 0.96 0.00 0.00 101 V 7.79 3.54 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 0.93 0.00 0.00 0.99 0.00 0.00 102 S 7.90 4.07 0.00 3.95 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 0.00 103 E 8.35 3.92 0.00 2.16 1.93 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 2.30 2.57 0.00 104 I 7.92 3.65 2.03 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 1.45 0.99 0.94 0.00 0.00 105 L 7.93 4.01 0.00 1.84 1.71 0.92 0.81 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 0.00 106 Q 8.26 4.03 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 107 A 7.56 4.35 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 0.00 108 G 7.86 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 0.00 0.00 0.00 109 I 7.29 4.33 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 1.00 0.00 0.00 110 S 8.48 4.32 0.00 3.87 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 0.00 111 I 8.10 4.38 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 1.00 0.00 0.00 112 V 8.84 3.74 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.96 0.00 0.00 113 E 8.14 4.56 0.00 1.90 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 2.32 2.27 0.00 114 G 8.83 4.16 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 0.00 115 P 0.00 4.75 0.00 2.08 2.06 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 116 V 8.82 4.63 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 0.76 0.00 0.00 1.16 0.00 0.00 117 E 8.78 4.61 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 118 R 9.01 4.83 0.00 1.61 1.78 0.00 3.39 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 119 T 8.44 4.57 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 1.22 0.00 0.00 120 G 9.24 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 0.00 121 A 8.69 4.21 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 0.00 122 T 9.45 4.66 4.21 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 1.21 0.00 0.00 123 G 7.10 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 0.00 124 E 8.35 4.68 0.00 2.01 1.87 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 2.26 2.43 0.00 125 I 8.55 4.64 1.58 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.59 -0.24 0.00 0.00 126 M 8.73 4.87 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 127 S 9.30 5.19 0.00 3.53 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 0.00 128 I 8.31 4.86 1.83 0.00 0.00 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 1.24 2.00 0.88 0.00 0.00 129 Y 9.20 5.41 0.00 2.94 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 0.00 130 I 8.95 5.05 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.99 1.02 0.00 0.00 131 R 8.69 5.74 0.00 1.61 1.75 0.00 3.22 0.00 0.00 3.91 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.43 0.00 132 D 8.12 3.37 0.00 1.92 2.42 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 0.00 133 P 0.00 4.03 0.00 1.99 2.10 0.00 3.31 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.90 0.00 134 D 8.18 4.52 0.00 2.82 2.76 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 0.00 135 G 8.09 4.03 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 0.00 136 N 8.34 4.59 0.00 3.04 2.92 0.00 0.00 6.58 6.06 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 0.00 137 L 8.87 4.77 0.00 1.80 1.60 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.23 4.91 2.04 0.00 0.00 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 1.41 1.14 1.23 0.00 0.00 139 E 9.54 4.56 0.00 1.86 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 1.89 1.47 0.00 140 I 8.54 4.97 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 0.91 0.00 0.00 141 S 9.23 5.13 0.00 3.56 3.59 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 0.00 142 Q 8.53 4.90 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 143 Y 8.70 4.08 0.00 3.03 2.90 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 * Residues marked with a * may have inaccurate shift predictions.