NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 S 4.4105 8.3349 115.2889 58.0756 63.8771 174.0718 20 I 4.3649 7.2956 121.3997 59.4631 38.2403 173.3554 *22 K 4.3451 9.2389 123.0154 57.3499 34.4664 175.5824 23 I 4.9818 8.8966 127.8168 59.5502 40.8927 174.5002 24 L 5.1328 8.9444 126.1042 52.9490 44.9058 175.2997 25 L 5.1290 8.2705 121.9070 53.2509 43.4343 176.0924 26 I 4.3107 10.1580 124.6201 58.7450 41.2949 175.1815 27 G 3.7488 7.2327 112.3753 43.2511 0.0000 172.2645 28 D 4.8537 8.3439 119.8862 54.3494 41.4110 176.7490 29 S 4.3906 8.4975 116.3515 59.7461 62.9333 174.6598 30 G 4.0612 8.9680 114.4383 45.4809 0.0000 174.5530 31 V 3.8185 7.0576 111.8885 62.0505 32.1595 177.0186 32 G 4.3097 8.4919 109.2751 45.6478 0.0000 175.8192 33 K 3.9500 8.5187 120.3904 59.6236 32.0744 179.2421 34 S 4.4267 8.0068 115.9761 61.3268 62.6968 176.5326 35 C 4.3144 8.1042 119.0421 62.6553 28.0115 175.8934 36 L 4.1228 8.2194 120.8136 57.6308 41.1582 179.3118 37 L 4.0681 7.9813 119.9000 58.2089 42.0948 179.1887 38 V 3.5839 7.9115 118.2794 66.0052 31.3686 177.9688 39 R 4.1695 8.3868 118.6603 59.3143 29.6957 178.3761 40 F 4.3239 8.1846 119.6174 61.2414 39.4970 177.1558 41 V 3.3032 7.6360 116.3980 65.7076 31.5961 176.7386 42 E 4.0887 8.0613 115.6391 55.9859 30.6603 175.3552 43 D 4.9399 8.1454 115.5483 54.0714 38.6417 171.9146 44 K 4.7678 7.4488 117.1682 55.5419 36.9149 175.8329 45 F 4.8521 8.2337 120.9501 57.1409 42.3126 173.2527 46 N 4.2793 6.9046 122.1904 52.2303 41.6700 173.9050 47 P 4.2408 0.0000 0.0000 62.0868 29.3206 176.2791 *55 I 3.1534 7.3904 124.8315 60.7324 39.4343 174.9818 56 D 5.0087 7.3803 115.0232 53.7855 42.2172 176.8728 57 F 5.1357 6.7496 111.7856 55.4076 41.2090 173.1711 58 K 4.7995 9.2070 118.1714 54.7287 36.4476 175.2958 59 I 5.4088 8.1336 121.1680 58.8004 40.5897 175.2756 60 K 4.4421 8.3056 125.5188 55.5962 35.6742 174.2603 61 T 5.0089 8.4523 124.0015 62.4265 69.8810 174.2920 62 V 4.6351 9.0860 118.5323 59.7084 36.7696 173.5433 63 D 5.5244 8.8034 121.3245 52.9211 42.7393 175.5930 64 I 4.4744 8.6152 126.5679 60.3691 39.7176 175.0713 65 N 4.4370 9.9366 125.1709 54.6375 37.1971 173.7133 66 G 3.9418 8.6624 99.8145 45.8979 0.0000 174.2698 67 K 4.6644 7.9037 117.5380 53.9627 36.8507 176.1678 68 K 4.4355 8.8818 124.5644 56.7880 32.7457 176.3699 69 V 4.3443 9.6466 126.3335 60.8206 34.5959 173.9968 70 K 4.5309 8.6373 129.4275 55.4464 33.8985 174.8212 71 L 4.7610 9.1043 128.5373 53.5109 43.6933 175.4549 72 Q 4.3733 8.7245 125.7241 54.7781 30.4242 173.8378 73 I 4.9017 8.7352 129.2211 59.7750 38.7308 175.0499 74 W 5.1707 9.5546 128.3468 55.3981 30.7199 174.8744 75 D 5.2872 9.4082 124.3565 52.3993 43.0719 176.9480 76 T 3.8011 9.3235 115.1163 62.1770 68.8760 173.3751 77 A 3.6992 7.7351 123.0270 54.9516 16.1430 176.9831 78 G 4.1248 7.9524 102.4206 47.7951 0.0000 173.9969 79 Q 4.4799 7.5482 114.3540 55.2328 29.4060 177.0731 80 E 4.2778 8.0311 114.9655 56.9924 29.9990 177.2670 81 R 4.4247 7.7376 118.0747 56.8829 30.8435 176.5557 82 F 4.9810 6.9896 109.7290 55.7143 39.2046 174.8693 83 R 4.3426 6.8459 115.3522 55.5385 31.0429 174.2697 84 T 3.9996 8.3495 109.4675 61.2577 69.3887 174.2216 85 I 3.4262 8.2711 123.9375 61.9574 37.6553 176.3735 86 T 4.2432 7.9282 114.1303 61.4026 70.0509 175.7648 87 T 3.9677 8.6588 118.9016 66.9902 68.3896 176.7716 88 A 4.1308 7.9423 119.8457 54.3464 18.1321 178.4989 89 Y 3.5256 7.5825 118.7224 60.7775 38.3734 177.2622 90 Y 4.3024 7.8372 116.8565 59.0584 37.9901 175.6059 91 R 3.9939 7.2174 120.4445 57.9484 30.2359 176.8080 92 G 3.8250 8.9405 112.8698 45.4746 0.0000 173.0150 93 A 4.4331 7.1678 122.0963 51.1090 19.2676 176.8711 *95 G 3.8388 8.2460 105.4319 46.3495 0.0000 172.1973 96 I 5.0755 8.7209 124.4089 59.6008 41.3432 174.2394 97 I 4.7090 9.0929 128.8938 59.7187 39.2088 174.7635 98 L 4.8984 9.0026 128.6181 53.5706 42.9902 175.8622 99 V 5.0343 8.6936 125.0111 61.1839 33.5759 173.9918 100 Y 5.0821 8.6146 124.1824 55.4118 42.4494 173.2280 101 D 5.2149 9.1319 119.6456 52.3392 42.5981 177.1053 102 I 3.9612 8.7217 120.7937 63.1265 37.6867 177.2333 103 T 4.3207 8.6087 110.6604 61.5585 69.2744 174.2533 104 D 4.7197 8.2447 122.6791 51.6264 42.2296 174.9381 105 E 4.0289 8.9750 127.7292 59.4555 29.4620 178.3117 106 R 3.9432 8.0169 118.8026 59.8025 29.9419 178.6600 107 T 4.4463 7.8306 109.4908 64.1081 68.9934 176.0802 108 F 4.1683 8.1662 123.2703 61.4606 39.6236 177.2088 109 T 3.6630 8.2471 115.6305 66.5851 68.3146 175.9462 110 N 4.4811 8.4399 117.2187 54.9499 38.4847 177.1690 111 I 4.0101 7.6262 122.3706 64.4300 37.1355 178.2172 112 K 4.0016 7.5510 118.5820 59.5482 31.7444 179.4234 113 Q 3.9498 7.9376 117.8070 58.6686 28.6589 178.5452 114 W 4.3671 8.0494 119.8871 59.7655 29.0647 178.1580 115 F 4.2269 8.8829 121.0383 61.2471 38.8222 177.0249 116 K 3.8349 8.2449 119.0154 59.8808 31.6209 178.7359 117 T 3.9086 8.1358 116.1371 66.7720 68.4329 176.7390 118 V 3.4489 8.2017 121.7337 65.6003 31.3415 177.8686 119 N 4.2780 7.8425 115.2479 55.8816 38.3951 176.4146 120 E 4.1686 7.8239 117.1646 57.3361 29.8099 176.7969 121 H 4.5113 7.2110 113.1510 55.0022 31.4247 173.6507 122 A 4.1479 7.5910 121.9923 50.3680 19.5806 176.4620 123 N 4.3986 8.4044 117.8196 53.6774 39.4124 175.7355 124 D 4.3712 8.5707 122.5330 55.7654 39.7050 176.8224 125 E 4.3734 9.3219 118.4703 55.7598 29.9359 176.1044 126 A 4.0614 7.5385 122.8937 52.2587 19.1082 176.7110 127 Q 4.5653 8.5543 123.0401 54.8088 30.8083 174.7504 128 L 5.5404 8.4239 125.6052 52.9954 44.5056 175.5132 129 L 4.6991 8.1489 120.9494 54.0030 45.8851 173.5085 130 L 5.1982 9.1789 128.7849 53.6880 44.3269 175.0245 131 V 4.6543 9.2511 126.2676 61.0003 34.6771 174.2502 132 G 3.3512 8.6035 115.9794 44.6064 0.0000 172.4854 133 N 5.0611 8.4898 125.9080 52.0473 41.9373 174.3414 134 K 4.1930 8.6799 116.8167 57.9057 28.7084 178.2784 135 S 4.3361 8.0981 113.7984 60.0316 63.4823 174.1942 136 D 4.5136 7.4043 122.5429 52.8069 37.7291 177.2592 *138 E 4.3265 7.8121 118.8593 57.0830 31.9584 177.8244 139 T 4.3870 7.8569 107.6389 61.3993 68.9280 174.6006 140 R 4.0926 7.3326 121.4811 57.6802 30.2566 176.5914 141 V 4.3316 8.9314 115.7549 60.4439 33.6734 175.5821 142 V 4.2623 7.6321 119.9727 60.8840 32.8851 175.7932 143 T 4.2354 8.7249 118.3835 61.0951 70.9508 175.4646 144 A 4.6453 8.4032 125.0725 55.0769 18.3800 179.8913 145 D 4.2732 8.0290 116.9876 57.5057 40.9452 178.8467 146 Q 4.0297 7.9020 118.4300 58.7897 28.7029 178.9829 147 G 3.3691 7.6626 108.0169 47.2145 0.0000 175.5562 148 E 3.5276 7.8489 121.3132 58.8107 29.4065 179.4221 149 A 3.9382 8.0114 120.9249 54.9601 18.4224 179.4923 150 L 3.7727 7.9809 118.7104 58.0317 42.0687 178.9740 151 A 3.9442 7.9256 120.8119 54.9512 18.3158 179.4896 152 K 3.8096 7.9771 118.0599 59.7320 32.1003 178.5426 153 E 3.8698 7.9483 118.1290 59.1432 29.5804 178.1896 154 L 3.8880 7.8125 117.0592 54.4595 41.9446 177.0727 155 G 3.8715 7.9541 106.9945 46.3224 0.0000 173.1586 156 I 4.9366 7.7666 111.4584 57.6159 41.0423 173.2547 157 P 4.6327 0.0000 0.0000 63.0778 32.6497 174.6761 158 F 5.6044 8.6155 121.9885 56.8059 42.5690 173.9368 159 I 4.2468 7.8177 124.6335 59.6098 41.9928 173.5905 160 E 4.8035 8.2620 125.1492 54.6610 32.0379 175.1210 161 S 5.1366 8.9315 117.9213 56.9169 67.7693 173.0353 162 S 4.5038 8.8159 114.0183 56.9337 63.8746 174.3211 163 A 3.9724 8.6805 131.5191 54.9254 18.6706 179.5838 164 K 2.4800 7.6446 115.9607 59.0574 32.1266 177.2330 165 N 4.5615 7.8503 112.5818 52.1162 38.8643 174.4966 166 D 4.2580 7.1482 115.2806 55.4303 40.2305 173.3801 167 D 4.6947 8.2590 118.5027 53.4990 41.4890 175.3405 168 N 4.2290 8.8632 122.1789 54.3805 36.5847 176.5476 169 V 3.7972 7.7896 119.6096 66.3246 31.7043 177.6626 170 N 4.7717 8.3156 115.8129 56.3393 38.3707 176.7796 171 E 4.0218 7.8206 120.8299 59.1804 29.6147 178.7218 172 I 3.4432 7.3602 119.9566 64.5937 37.0959 178.4092 173 F 3.9113 7.4755 117.6422 60.4320 38.7614 177.7890 174 F 4.0039 8.6063 117.5516 60.6141 38.8221 177.8827 175 T 3.9055 8.2853 115.6866 66.6423 68.3108 176.4601 176 L 3.9342 7.8805 121.9648 58.0292 42.0191 178.7783 177 A 4.0024 8.3821 121.1859 55.1497 18.4074 179.7920 178 K 3.9571 8.2254 116.9756 59.6251 31.9857 179.6484 179 L 4.0618 7.8883 118.8656 57.7084 41.5049 179.7038 180 I 3.7272 7.8436 119.9332 64.4228 37.0393 178.1759 181 Q 3.9989 8.3495 120.6131 59.0892 28.5400 178.1244 182 E 3.9423 7.8259 119.4875 59.1057 30.0034 178.6523 183 K 4.1253 7.8420 118.5762 59.5777 31.9222 179.1940 184 I 3.7052 7.5726 118.7800 64.5449 37.1769 177.4774 185 D 4.6169 7.7860 116.4146 55.0929 41.0262 177.2322 186 S 4.4911 7.7529 120.2462 58.5692 63.5170 173.6640 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 19 S 8.33 4.41 0.00 3.85 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 20 I 7.30 4.36 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.87 0.88 0.00 0.00 *22 K 9.24 4.35 0.00 1.84 1.87 0.00 1.43 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.45 7.81 23 I 8.90 4.98 2.01 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 1.27 0.59 1.03 0.00 0.00 24 L 8.94 5.13 0.00 1.62 1.58 0.44 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.27 5.13 0.00 1.59 1.61 1.16 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 I 10.16 4.31 1.71 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.78 0.18 0.00 0.00 27 G 7.23 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.34 4.85 0.00 3.00 2.80 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 29 S 8.50 4.39 0.00 3.99 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 30 G 8.97 4.06 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 0.00 0.00 0.00 31 V 7.06 3.82 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 0.87 0.00 0.00 1.06 0.00 0.00 32 G 8.49 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 0.00 0.00 0.00 33 K 8.52 3.95 0.00 1.83 1.90 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.52 7.81 34 S 8.01 4.43 0.00 3.89 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 35 C 8.10 4.31 0.00 3.28 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 36 L 8.22 4.12 0.00 2.00 1.90 0.90 0.34 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 37 L 7.98 4.07 0.00 1.90 1.91 0.94 0.94 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 38 V 7.91 3.58 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 39 R 8.39 4.17 0.00 2.10 2.27 0.00 3.48 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 1.71 1.81 0.00 40 F 8.18 4.32 0.00 3.03 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 41 V 7.64 3.30 1.98 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 0.76 0.00 0.00 0.82 0.00 0.00 42 E 8.06 4.09 0.00 2.14 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 2.23 2.34 0.00 43 D 8.15 4.94 0.00 2.79 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 44 K 7.45 4.77 0.00 1.75 1.67 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.51 7.81 45 F 8.23 4.85 0.00 2.93 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 46 N 6.90 4.28 0.00 2.54 2.43 0.00 0.00 7.09 7.69 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 47 P 0.00 4.24 0.00 2.04 1.99 0.00 3.65 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 *55 I 7.39 3.15 1.62 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.32 0.78 0.00 0.00 56 D 7.38 5.01 0.00 2.83 3.02 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 57 F 6.75 5.14 0.00 2.26 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 58 K 9.21 4.80 0.00 1.63 1.64 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.31 7.81 59 I 8.13 5.41 1.88 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.44 0.89 0.00 0.00 60 K 8.31 4.44 0.00 1.53 1.42 0.00 0.92 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.16 1.23 7.81 61 T 8.45 5.01 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 1.20 0.00 0.00 62 V 9.09 4.64 1.94 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 0.63 0.00 0.00 0.74 0.00 0.00 63 D 8.80 5.52 0.00 2.74 2.67 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 64 I 8.62 4.47 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.09 0.94 0.00 0.00 65 N 9.94 4.44 0.00 2.83 2.86 0.00 0.00 7.26 7.98 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 66 G 8.66 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 67 K 7.90 4.66 0.00 1.80 1.66 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.59 7.81 68 K 8.88 4.44 0.00 1.64 1.77 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.39 7.81 69 V 9.65 4.34 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 0.99 0.00 0.00 1.00 0.00 0.00 70 K 8.64 4.53 0.00 1.86 1.65 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.44 7.81 71 L 9.10 4.76 0.00 1.68 1.62 0.98 0.48 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 72 Q 8.72 4.37 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.90 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 73 I 8.74 4.90 1.91 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 1.31 0.67 1.06 0.00 0.00 74 W 9.55 5.17 0.00 3.07 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 75 D 9.41 5.29 0.00 2.79 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 76 T 9.32 3.80 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 1.18 0.00 0.00 77 A 7.74 3.70 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 78 G 7.95 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 79 Q 7.55 4.48 0.00 2.14 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.86 0.00 0.00 0.00 0.00 0.00 2.84 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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 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.58 3.53 0.00 2.84 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 90 Y 7.84 4.30 0.00 3.28 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 91 R 7.22 3.99 0.00 1.76 1.95 0.00 3.29 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 92 G 8.94 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 93 A 7.17 4.43 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 G 8.25 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 0.00 0.00 0.00 96 I 8.72 5.08 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.31 1.02 0.00 0.00 97 I 9.09 4.71 1.81 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.58 0.82 0.00 0.00 98 L 9.00 4.90 0.00 1.74 1.72 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.69 5.03 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 0.77 0.00 0.00 0.88 0.00 0.00 100 Y 8.61 5.08 0.00 3.14 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 0.00 101 D 9.13 5.21 0.00 2.82 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 0.00 102 I 8.72 3.96 1.91 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 1.58 0.62 0.85 0.00 0.00 103 T 8.61 4.32 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 1.26 0.00 0.00 104 D 8.24 4.72 0.00 2.71 2.67 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 0.00 105 E 8.97 4.03 0.00 2.16 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 2.44 2.54 0.00 106 R 8.02 3.94 0.00 1.93 2.19 0.00 3.18 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 107 T 7.83 4.45 4.47 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 1.45 0.00 0.00 108 F 8.17 4.17 0.00 2.91 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 0.00 109 T 8.25 3.66 4.39 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 1.16 0.00 0.00 110 N 8.44 4.48 0.00 3.02 2.88 0.00 0.00 6.99 6.82 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 0.00 111 I 7.63 4.01 1.72 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 1.84 0.91 0.95 0.00 0.00 112 K 7.55 4.00 0.00 1.85 1.83 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.29 7.81 113 Q 7.94 3.95 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 114 W 8.05 4.37 0.00 3.71 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.88 4.23 0.00 3.23 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 0.00 116 K 8.24 3.83 0.00 2.03 2.00 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.48 7.81 117 T 8.14 3.91 4.56 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 1.32 0.00 0.00 118 V 8.20 3.45 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 1.13 0.00 0.00 1.26 0.00 0.00 119 N 7.84 4.28 0.00 2.58 2.62 0.00 0.00 7.12 7.80 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 0.00 120 E 7.82 4.17 0.00 1.91 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 2.23 2.36 0.00 121 H 7.21 4.51 0.00 2.09 2.98 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.59 4.15 1.06 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 0.00 0.00 123 N 8.40 4.40 0.00 2.71 2.68 0.00 0.00 6.63 8.49 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 0.00 124 D 8.57 4.37 0.00 2.79 2.75 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 0.00 0.00 0.00 125 E 9.32 4.37 0.00 1.96 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 2.26 2.37 0.00 126 A 7.54 4.06 1.27 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 0.00 0.00 127 Q 8.55 4.57 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 128 L 8.42 5.54 0.00 1.68 1.72 0.94 1.12 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 0.00 129 L 8.15 4.70 0.00 1.71 1.41 0.92 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 130 L 9.18 5.20 0.00 1.98 1.97 1.33 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.22 0.00 0.00 140 R 7.33 4.09 0.00 1.82 1.89 0.00 3.20 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 141 V 8.93 4.33 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 0.81 0.00 0.00 1.07 0.00 0.00 142 V 7.63 4.26 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 -0.12 0.00 0.00 0.75 0.00 0.00 143 T 8.72 4.24 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 1.18 0.00 0.00 144 A 8.40 4.65 1.44 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 0.00 145 D 8.03 4.27 0.00 2.67 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 0.00 146 Q 7.90 4.03 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 147 G 7.66 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 0.00 148 E 7.85 3.53 0.00 2.10 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 2.52 2.50 0.00 149 A 8.01 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 0.00 150 L 7.98 3.77 0.00 1.73 1.77 0.66 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.93 3.94 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 0.00 152 K 7.98 3.81 0.00 1.94 1.93 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 153 E 7.95 3.87 0.00 1.99 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 2.19 2.28 0.00 154 L 7.81 3.89 0.00 1.49 0.91 0.58 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 155 G 7.95 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 0.00 156 I 7.77 4.94 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 1.07 0.00 0.00 157 P 0.00 4.63 0.00 2.16 2.25 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 158 F 8.62 5.60 0.00 2.98 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 0.00 159 I 7.82 4.25 1.61 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.39 0.70 0.00 0.00 160 E 8.26 4.80 0.00 1.74 1.72 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 2.24 2.17 0.00 161 S 8.93 5.14 0.00 3.80 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 0.00 162 S 8.82 4.50 0.00 3.79 3.64 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 0.00 163 A 8.68 3.97 1.46 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 0.00 164 K 7.64 2.48 0.00 0.79 1.41 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.10 0.77 7.81 165 N 7.85 4.56 0.00 2.67 2.75 0.00 0.00 7.13 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 0.00 166 D 7.15 4.26 0.00 2.79 2.67 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 0.00 167 D 8.26 4.69 0.00 2.63 2.44 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 0.00 168 N 8.86 4.23 0.00 2.97 2.77 0.00 0.00 6.76 7.68 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 0.00 169 V 7.79 3.80 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 1.37 0.00 0.00 0.98 0.00 0.00 170 N 8.32 4.77 0.00 2.91 3.21 0.00 0.00 6.73 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 0.00 171 E 7.82 4.02 0.00 2.15 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 2.26 2.35 0.00 172 I 7.36 3.44 1.34 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 1.26 0.39 0.12 0.00 0.00 173 F 7.48 3.91 0.00 2.30 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 0.00 174 F 8.61 4.00 0.00 3.18 3.17 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 0.00 0.00 0.00 175 T 8.29 3.91 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 176 L 7.88 3.93 0.00 1.74 1.71 0.96 1.13 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 0.00 177 A 8.38 4.00 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 0.00 178 K 8.23 3.96 0.00 2.01 1.91 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.54 1.80 7.81 179 L 7.89 4.06 0.00 1.88 1.73 0.94 0.63 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 0.00 180 I 7.84 3.73 2.03 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 1.41 1.09 0.91 0.00 0.00 181 Q 8.35 4.00 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 182 E 7.83 3.94 0.00 2.06 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 0.00 2.33 2.36 0.00 183 K 7.84 4.13 0.00 1.94 1.84 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 184 I 7.57 3.71 2.04 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 1.52 0.63 0.91 0.00 0.00 185 D 7.79 4.62 0.00 2.64 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 0.00 186 S 7.75 4.49 0.00 4.04 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 * Residues marked with a * may have inaccurate shift predictions.