NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7044 8.3549 109.7234 45.1781 0.0000 172.8628 *2 F 4.5405 8.2581 116.8784 57.6380 39.7754 174.7757 3 T 4.7079 8.2422 120.2092 62.5081 73.3473 172.6299 4 C 4.6216 8.5460 121.9440 57.5888 34.2379 172.6940 5 K 4.2992 8.6124 128.8462 55.7775 31.9272 176.4772 6 V 3.7675 8.8095 129.1249 64.8227 31.9720 175.5887 7 N 4.9800 7.4722 114.0304 51.1468 40.2455 174.3378 8 E 4.1191 8.8047 116.7162 58.0671 29.6898 176.2367 9 H 4.4298 8.8701 114.6382 56.1239 32.2862 173.5819 10 I 5.1898 8.0982 119.4823 59.5342 39.8668 175.1442 11 T 5.0131 9.1153 116.3637 59.9698 72.3702 172.6423 12 I 5.0190 8.5815 125.3869 59.5667 40.0314 174.8096 13 R 4.7393 8.2644 121.3835 54.5111 33.2079 174.2802 14 L 4.2448 8.2041 120.6385 54.6704 42.1626 177.4007 15 L 4.4045 8.4620 123.1009 54.6693 42.6842 175.4043 16 E 4.8829 8.7080 118.8047 53.3006 33.5217 175.6271 17 P 4.3499 0.0000 0.0000 65.5723 31.0484 178.8175 18 K 4.2928 7.9585 115.5441 58.9100 32.8350 177.6427 19 D 4.6280 8.0659 119.6545 54.6771 40.7807 177.7339 20 A 4.0093 8.3339 124.1851 55.4800 18.4553 179.6399 21 E 3.8944 8.1487 116.5432 59.5476 29.3976 179.3305 22 R 3.8912 7.9531 117.2028 59.3814 30.0158 178.5757 23 L 3.8842 7.4195 117.6542 58.1139 42.4041 178.3826 24 A 4.0693 7.7466 120.4561 55.3323 18.3532 179.2744 25 E 3.8902 8.6296 117.9322 59.2386 29.6120 178.2564 26 L 4.2256 9.1745 117.4785 56.5050 42.1949 177.4400 27 I 4.1980 7.2379 116.6092 61.8605 38.5403 176.4635 28 I 4.0390 7.9778 120.5702 63.3182 38.0705 177.0487 29 Q 4.2500 8.0085 116.3963 57.7283 28.6165 176.7036 30 N 5.0085 7.6985 119.0252 53.7647 40.4229 176.4168 31 Q 4.1572 8.5899 119.4387 57.2407 28.0617 180.5850 32 Q 4.5662 8.6586 115.3650 53.4132 29.1142 180.8233 33 R 5.4492 8.5023 133.1676 57.4543 28.3470 176.3231 34 L 4.0692 7.7623 114.9035 56.1157 41.8706 178.0202 35 G 4.1214 9.3123 110.3360 46.4444 0.0000 176.7616 36 K 3.9800 8.2206 118.5306 58.8337 32.7861 177.7848 37 W 4.3221 7.9283 118.0122 60.4928 28.0470 179.2484 38 L 3.6368 6.5789 118.1543 56.3795 37.1961 173.8836 39 F 4.6597 7.4141 121.3464 55.0793 43.2487 174.0476 40 F 4.7419 8.5371 124.8443 59.3768 37.6478 176.0901 41 A 4.4717 7.7651 126.3845 50.4141 18.4293 175.9103 42 E 4.4652 8.1093 119.0218 56.3570 31.3656 177.0601 43 N 4.6159 7.6247 115.4909 51.0091 37.5672 172.7758 44 P 3.6514 0.0000 0.0000 63.4245 30.0725 175.5557 45 S 4.6750 8.3464 122.2883 58.5469 63.8032 173.6786 46 S 4.4203 8.3909 111.4468 57.2181 64.7328 173.8230 47 A 4.4365 8.9115 126.3850 53.0438 17.0557 179.4610 48 D 4.3378 7.8942 113.8358 57.7892 41.4576 178.3866 49 T 3.8345 8.0343 116.2993 66.6799 68.2292 176.3126 50 Y 3.9673 7.7558 118.2826 60.5709 37.8036 177.8896 51 R 3.9419 8.0924 119.5970 59.0505 30.3659 177.6564 52 E 4.4285 8.0078 115.7946 57.0496 30.2677 176.3842 53 T 4.4008 7.6316 113.2896 64.6854 71.3193 176.3469 54 I 3.2036 7.5047 121.2205 64.1898 36.9998 178.5151 55 I 3.8616 7.3658 120.2978 63.9624 36.9545 176.4193 56 P 4.2925 0.0000 0.0000 66.0159 31.1770 178.1183 57 D 4.4198 8.4184 117.6646 57.3260 40.7222 179.0275 58 W 4.6140 8.3363 119.5551 60.0498 29.0746 178.8250 59 R 4.0730 8.5631 118.2239 59.3868 29.5361 179.0478 60 R 4.1379 8.5573 118.8102 59.5478 29.9260 178.4672 61 Q 4.1233 8.2271 117.9626 58.6688 28.8149 177.6482 62 Y 4.3280 8.4866 121.9293 60.0340 38.6315 177.8277 63 A 3.8594 8.4769 121.0988 55.2304 18.6739 178.7866 64 D 4.4559 7.9723 114.2846 54.6706 41.0937 177.0242 65 L 3.7530 7.6127 118.8257 55.3680 39.4969 175.0655 66 N 4.7275 8.0298 117.1378 49.2001 35.9785 173.4030 67 G 3.9099 8.8010 111.7992 45.3116 0.0000 169.5471 68 I 4.8039 8.6285 118.1142 59.7215 41.1471 174.6249 69 E 4.6455 8.8710 126.6932 54.5020 30.6847 175.1296 70 A 4.6056 8.5256 125.9272 49.8720 22.7482 174.9545 71 G 3.8924 8.9999 106.6578 44.6582 0.0000 173.1112 72 L 4.5853 9.5206 122.8084 53.5595 43.5488 175.8546 73 L 5.1506 8.9671 122.9044 52.9717 45.7403 174.8050 74 Y 5.3566 8.1369 123.5003 55.2973 41.5088 174.9824 75 D 4.3011 9.5903 125.7973 55.1083 38.6944 174.7434 76 G 3.9170 8.5189 106.0582 44.9834 0.0000 174.0157 77 S 4.6431 7.8044 114.8807 55.6028 65.0210 173.3657 78 L 4.0460 8.4638 123.3419 55.7637 41.4961 176.4228 79 C 4.1670 8.2247 119.1980 58.2773 32.0447 174.1012 80 G 3.0621 6.4802 110.5302 45.4291 0.0000 174.4787 *82 I 4.1609 7.6994 125.3505 60.9404 39.5282 172.7929 83 S 5.0374 8.5028 118.4815 56.8972 66.5125 172.5026 84 L 5.0995 8.9539 128.5559 53.8049 44.6066 174.7087 85 H 5.2523 8.9191 122.4596 54.4173 32.5919 172.1784 86 N 4.1414 8.6542 111.3599 54.4534 35.8819 174.4751 87 L 4.4560 7.6614 118.9555 54.8986 43.2188 175.7304 88 D 4.7301 9.2259 125.8599 51.8590 41.8616 175.5962 89 Q 3.9758 8.6224 124.1117 58.7329 29.2790 179.2115 90 V 3.5306 8.0298 115.5655 66.1330 31.2846 176.2839 91 N 4.6828 8.3887 113.2418 52.5011 38.6730 175.0517 92 R 3.9167 8.1641 117.3985 56.6428 28.4117 175.5588 93 K 5.2820 8.1774 114.1166 55.8885 36.9800 174.6822 94 A 5.4187 8.7532 121.6589 50.7840 23.4717 174.4876 95 E 5.2476 9.4609 117.4821 54.7884 33.7996 175.5238 96 I 5.0468 8.9855 122.1889 59.6784 40.1207 175.3616 97 G 4.2755 8.5749 112.6588 44.5608 0.0000 170.4872 98 Y 5.1270 7.6416 116.7934 56.6045 39.7361 172.5132 99 W 4.3763 7.5952 114.2893 56.3591 30.8998 173.2101 100 I 4.2523 7.6416 119.6299 58.9644 40.7420 174.4858 101 A 4.2057 8.8185 130.4575 51.9317 19.1308 178.2351 102 K 3.8502 8.8983 123.8373 59.7836 32.3775 178.6866 103 E 3.7361 8.2652 116.2926 59.0919 29.3436 177.6572 104 F 4.4903 8.0705 114.9138 56.8752 39.0556 175.5738 105 E 3.9284 7.8947 122.7132 57.6364 29.7384 177.3154 106 G 3.9297 8.9678 113.0170 45.6917 0.0000 173.6781 107 K 4.2579 7.8634 117.1170 55.4823 32.5781 176.6696 108 G 3.9464 8.0901 106.5611 46.9349 0.0000 176.4518 109 I 3.6752 7.5811 120.8413 64.1408 37.1123 178.0104 110 I 3.4801 7.5112 119.8386 64.8098 37.0713 178.5590 111 T 3.7339 7.7537 115.6900 66.5242 68.1820 176.4704 112 A 4.0310 7.8808 122.2093 54.9365 18.3842 179.5868 113 A 3.9110 8.5932 119.6965 55.4916 18.4606 179.5396 114 C 4.0495 8.6945 115.6212 62.9816 28.1713 176.5978 115 R 4.0103 7.8072 119.0419 59.2848 29.6429 179.2048 116 K 3.9962 7.8410 117.9562 59.5324 32.0389 179.1577 117 L 3.6626 8.1324 120.5699 58.0899 41.9096 179.2292 118 I 3.3548 8.2439 120.1302 64.5679 37.0937 178.3530 119 T 3.3986 8.1948 116.8861 66.6284 68.2481 175.9428 120 Y 4.0739 8.7176 122.1409 60.7489 38.7832 178.0003 121 A 3.5997 8.1472 121.9772 54.8947 17.9476 179.3314 122 F 4.5953 7.6900 115.7015 59.5303 39.0153 177.7128 123 E 4.2917 7.8659 116.8624 57.8412 30.0675 177.8949 124 E 4.1643 7.7195 117.4509 58.7926 30.1940 178.3135 125 L 4.0876 7.1643 114.9270 54.3512 42.0232 176.7625 126 E 4.0241 7.8637 115.9043 55.9897 27.1069 174.4963 127 L 4.2508 7.4471 117.7942 55.2576 42.3660 176.3325 128 N 5.0358 9.5276 117.7530 53.7435 41.8684 174.1295 129 R 5.4062 7.9305 113.8629 54.7368 33.3720 174.1891 130 V 5.0848 8.7618 119.9029 61.2713 35.1210 173.9891 131 A 5.6465 9.1653 128.2134 50.3523 22.9479 174.6797 132 I 5.0855 9.0284 120.3095 59.5712 40.7087 174.6315 133 C 5.3017 8.5346 119.1699 56.5736 32.9497 172.7675 134 A 4.6635 8.4859 119.7254 49.9304 22.7966 175.5407 135 A 4.2404 8.7037 122.0081 53.1642 18.3041 177.9317 136 V 3.5380 8.5124 124.2729 65.9712 32.2666 176.9644 137 G 3.4648 8.0582 109.8756 46.1431 0.0000 170.6610 138 N 3.7455 8.7286 124.2830 53.3999 38.1824 173.9730 139 E 4.2537 8.1194 119.2403 55.3444 31.0498 175.5992 140 K 3.9527 8.6906 127.5075 59.6592 32.6843 179.3454 141 S 4.2399 7.4506 112.5349 61.3904 61.7660 176.2766 142 R 3.9108 7.8295 119.7577 58.7724 29.7843 178.6382 143 A 4.0110 7.6817 120.4743 54.7000 18.2872 179.6572 144 V 3.3706 7.5352 117.0934 65.6720 31.6821 176.4150 145 P 3.6408 0.0000 0.0000 65.7358 30.3782 177.9831 146 E 4.1764 7.5412 117.5731 58.8541 29.1975 179.1225 147 R 4.1979 7.7877 115.5403 59.0184 29.7745 178.6134 148 I 4.1089 7.5400 119.4859 62.4791 37.1827 176.5451 149 G 4.3274 7.5760 109.1790 45.6195 0.0000 173.8409 150 F 4.7256 8.8748 118.9157 56.6843 40.5811 174.9199 151 L 5.0756 8.8954 119.2474 52.6631 44.7282 176.2993 152 E 4.0024 9.1735 124.3988 56.7288 29.5533 176.0554 153 E 4.6260 9.7095 123.6909 55.4437 32.1325 175.5448 154 G 4.0323 7.0243 106.3317 46.4397 0.0000 171.4098 155 K 5.3783 8.6417 117.7465 54.3876 36.3103 176.1301 156 A 4.7350 9.3060 124.1133 50.0456 21.3025 176.1108 157 R 4.3438 8.7207 122.3028 57.1367 30.6306 176.7064 158 D 4.5564 9.5382 124.3253 55.3868 38.8812 176.2430 159 G 3.5628 7.9011 108.9669 47.3475 0.0000 174.5640 160 L 4.9484 7.5263 119.2809 53.2617 45.0692 175.1436 161 Y 4.7611 8.1620 121.1583 55.5766 39.0424 173.2937 162 V 3.9965 7.6138 122.5684 61.7088 34.3293 175.3236 163 N 4.0393 8.6780 120.0463 54.4086 36.4119 174.1200 164 G 3.3664 6.9858 97.9038 46.8224 0.0000 172.6930 *166 H 4.8216 8.0749 114.7213 55.7646 29.7525 173.3343 167 H 5.1241 8.5587 119.3397 53.9582 33.1640 172.8818 168 D 4.8189 8.6297 119.6403 54.0031 42.9055 175.1464 169 L 5.2256 8.6319 120.4291 52.9456 44.8352 175.8483 170 V 4.7025 8.7895 123.6828 60.2272 33.8572 174.3804 171 Y 4.7909 9.1606 122.8838 57.2001 39.7356 174.1207 172 Y 5.5519 9.1446 120.9458 56.3209 41.9142 174.7997 173 S 5.5162 9.5243 117.1710 56.6208 67.4780 172.5917 174 L 4.8186 8.7382 122.6856 53.3752 44.8916 175.2086 175 L 4.8269 9.5998 126.8043 53.3523 43.4655 177.5837 176 K 2.4800 8.1426 124.7822 59.1651 31.9926 179.1484 177 R 4.0017 7.7174 112.7524 58.4437 29.4750 177.0132 178 E 4.2485 8.4024 117.2887 56.8940 30.1664 176.0506 179 W 4.4204 7.7962 133.1218 57.4255 30.7441 175.5307 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 0 G 8.35 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 0.00 0.00 0.00 *2 F 8.26 4.54 0.00 3.13 3.06 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 3 T 8.24 4.71 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 1.17 0.00 0.00 4 C 8.55 4.62 0.00 2.84 2.77 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 5 K 8.61 4.30 0.00 1.79 1.70 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 6 V 8.81 3.77 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 0.84 0.00 0.00 0.90 0.00 0.00 7 N 7.47 4.98 0.00 2.94 2.88 0.00 0.00 5.70 7.66 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 8 E 8.80 4.12 0.00 1.94 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 2.25 2.34 0.00 9 H 8.87 4.43 0.00 2.93 2.49 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.10 5.19 2.00 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 1.48 0.91 0.89 0.00 0.00 11 T 9.12 5.01 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 1.13 0.00 0.00 12 I 8.58 5.02 1.78 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 1.17 1.41 0.78 0.00 0.00 13 R 8.26 4.74 0.00 1.73 1.89 0.00 2.71 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 14 L 8.20 4.24 0.00 1.38 1.53 0.42 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.46 4.40 0.00 1.81 1.68 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.71 4.88 0.00 2.01 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 2.22 2.23 0.00 17 P 0.00 4.35 0.00 2.18 2.27 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 18 K 7.96 4.29 0.00 1.91 1.95 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.53 7.81 19 D 8.07 4.63 0.00 2.96 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 20 A 8.33 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.15 3.89 0.00 2.07 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 2.48 0.00 22 R 7.95 3.89 0.00 1.78 1.97 0.00 3.30 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 23 L 7.42 3.88 0.00 1.62 1.69 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.75 4.07 1.50 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 0.00 0.00 25 E 8.63 3.89 0.00 2.05 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 0.00 2.31 2.46 0.00 26 L 9.17 4.23 0.00 1.78 1.83 1.00 1.13 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 27 I 7.24 4.20 1.92 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 0.89 0.84 0.77 0.00 0.00 28 I 7.98 4.04 2.10 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 1.53 1.51 0.95 0.00 0.00 29 Q 8.01 4.25 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.24 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 30 N 7.70 5.01 0.00 2.60 2.67 0.00 0.00 7.24 7.41 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 31 Q 8.59 4.16 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 32 Q 8.66 4.57 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.13 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 33 R 8.50 5.45 0.00 2.01 2.07 0.00 3.32 0.00 0.00 3.42 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 34 L 7.76 4.07 0.00 1.51 1.34 0.25 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.31 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.22 3.98 0.00 1.66 1.74 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.65 7.81 37 W 7.93 4.32 0.00 3.39 3.51 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 38 L 6.58 3.64 0.00 1.79 2.05 0.91 0.83 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 39 F 7.41 4.66 0.00 2.94 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.54 4.74 0.00 3.01 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.77 4.47 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.11 4.47 0.00 2.37 2.47 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 2.47 2.41 0.00 43 N 7.62 4.62 0.00 2.80 2.86 0.00 0.00 6.23 7.75 0.00 0.00 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 P 0.00 3.65 0.00 2.15 2.39 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 45 S 8.35 4.68 0.00 4.00 4.31 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 46 S 8.39 4.42 0.00 3.73 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 0.00 47 A 8.91 4.44 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.89 4.34 0.00 2.73 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 49 T 8.03 3.83 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 0.93 0.00 0.00 50 Y 7.76 3.97 0.00 3.22 2.95 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 51 R 8.09 3.94 0.00 2.02 1.97 0.00 3.26 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 52 E 8.01 4.43 0.00 1.96 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 2.39 2.46 0.00 53 T 7.63 4.40 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 1.10 0.00 0.00 54 I 7.50 3.20 1.47 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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 8.48 3.86 1.40 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 64 D 7.97 4.46 0.00 2.68 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 65 L 7.61 3.75 0.00 1.80 1.84 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.03 4.73 0.00 2.87 2.85 0.00 0.00 7.10 7.07 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 67 G 8.80 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 0.00 0.00 0.00 68 I 8.63 4.80 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.07 0.82 0.00 0.00 69 E 8.87 4.65 0.00 1.16 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 1.99 1.47 0.00 70 A 8.53 4.61 1.04 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 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0.00 2.26 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 2.43 2.36 0.00 106 G 8.97 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 0.00 107 K 7.86 4.26 0.00 1.57 1.72 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.04 7.81 108 G 8.09 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 0.00 109 I 7.58 3.68 1.75 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 1.53 0.81 0.82 0.00 0.00 110 I 7.51 3.48 1.62 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 1.38 0.60 0.05 0.00 0.00 111 T 7.75 3.73 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 112 A 7.88 4.03 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 0.00 113 A 8.59 3.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 C 8.69 4.05 0.00 3.10 3.05 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 0.00 115 R 7.81 4.01 0.00 2.10 2.11 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.93 0.00 116 K 7.84 4.00 0.00 1.73 1.87 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.61 7.81 117 L 8.13 3.66 0.00 1.74 1.80 0.98 0.95 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 0.00 118 I 8.24 3.35 1.99 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.07 0.31 0.00 0.00 119 T 8.19 3.40 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 1.34 0.00 0.00 120 Y 8.72 4.07 0.00 2.94 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 0.00 121 A 8.15 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 F 7.69 4.60 0.00 2.37 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 0.00 123 E 7.87 4.29 0.00 2.04 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 2.40 2.35 0.00 124 E 7.72 4.16 0.00 1.51 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 2.34 2.67 0.00 125 L 7.16 4.09 0.00 1.53 1.58 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.86 4.02 0.00 2.06 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 2.20 2.24 0.00 127 L 7.45 4.25 0.00 1.84 1.70 0.88 1.33 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 0.00 128 N 9.53 5.04 0.00 2.67 2.76 0.00 0.00 7.10 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 0.00 129 R 7.93 5.41 0.00 2.00 2.01 0.00 3.06 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 130 V 8.76 5.08 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 1.14 0.00 0.00 0.59 0.00 0.00 131 A 9.17 5.65 1.45 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 0.00 0.00 132 I 9.03 5.09 1.66 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.79 0.85 0.00 0.00 133 C 8.53 5.30 0.00 2.29 1.76 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 0.00 134 A 8.49 4.66 1.15 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 0.00 135 A 8.70 4.24 1.15 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 0.00 136 V 8.51 3.54 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 0.74 0.00 0.00 0.93 0.00 0.00 137 G 8.06 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.73 3.75 0.00 2.76 2.74 0.00 0.00 6.93 7.66 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 0.00 139 E 8.12 4.25 0.00 1.84 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 140 K 8.69 3.95 0.00 1.90 2.05 0.00 2.04 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.55 7.81 141 S 7.45 4.24 0.00 2.94 3.39 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 0.00 142 R 7.83 3.91 0.00 2.00 1.99 0.00 3.37 0.00 0.00 3.65 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 143 A 7.68 4.01 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 0.00 144 V 7.54 3.37 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 0.80 0.00 0.00 0.80 0.00 0.00 145 P 0.00 3.64 0.00 1.08 1.33 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.52 0.00 146 E 7.54 4.18 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.12 0.00 147 R 7.79 4.20 0.00 2.00 2.06 0.00 3.06 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 148 I 7.54 4.11 2.17 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 1.56 0.66 1.26 0.00 0.00 149 G 7.58 4.33 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 0.00 150 F 8.87 4.73 0.00 2.84 3.23 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 0.00 151 L 8.90 5.08 0.00 1.70 1.63 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 152 E 9.17 4.00 0.00 1.84 1.78 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 2.04 1.60 0.00 153 E 9.71 4.63 0.00 1.95 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 2.31 2.40 0.00 154 G 7.02 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 0.00 155 K 8.64 5.38 0.00 1.62 1.72 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.40 7.81 156 A 9.31 4.74 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.72 4.34 0.00 1.72 1.90 0.00 3.36 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 158 D 9.54 4.56 0.00 2.92 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 0.00 159 G 7.90 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 0.00 0.00 0.00 160 L 7.53 4.95 0.00 1.56 1.58 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 8.16 4.76 0.00 2.81 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 0.00 162 V 7.61 4.00 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 0.91 0.00 0.00 1.00 0.00 0.00 163 N 8.68 4.04 0.00 2.78 2.72 0.00 0.00 7.00 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 0.00 164 G 6.99 3.37 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 0.00 *166 H 8.07 4.82 0.00 3.08 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 H 8.56 5.12 0.00 2.99 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 8.63 4.82 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 0.00 169 L 8.63 5.23 0.00 1.81 1.48 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.79 4.70 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 0.78 0.00 0.00 0.72 0.00 0.00 171 Y 9.16 4.79 0.00 2.99 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 0.00 172 Y 9.14 5.55 0.00 3.07 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 0.00 173 S 9.52 5.52 0.00 3.97 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 0.00 174 L 8.74 4.82 0.00 0.27 0.66 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 175 L 9.60 4.83 0.00 1.66 1.49 0.92 0.83 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 0.00 176 K 8.14 2.48 0.00 0.79 1.41 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.18 0.72 7.81 177 R 7.72 4.00 0.00 1.92 2.00 0.00 3.05 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 178 E 8.40 4.25 0.00 2.08 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 2.31 2.23 0.00 179 W 7.80 4.42 0.00 3.48 3.33 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 * Residues marked with a * may have inaccurate shift predictions.