NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.0820 7.8833 120.7868 60.7656 39.3684 174.4426 3 S 4.3670 8.1519 123.5510 56.8603 64.0189 173.7216 4 A 2.0000 8.4611 128.3807 54.3433 19.0608 179.8196 5 G 3.5829 7.6466 103.7938 47.9758 0.0000 173.9891 6 D 4.6341 7.5953 118.2830 53.8695 41.1978 176.8103 7 F 4.4950 7.4504 119.4266 57.7105 39.5708 174.4727 8 K 3.1157 7.8220 121.7563 54.6435 35.5894 174.8638 9 N 4.7192 8.5031 116.9377 54.7898 38.7435 176.0148 10 G 3.9643 9.2183 112.0624 44.9700 0.0000 174.0552 11 V 3.8790 7.3955 120.1924 63.2779 32.9301 174.8441 12 T 5.6699 8.7273 116.1827 59.0429 71.8347 172.6022 13 F 5.4817 7.8599 118.2722 55.5457 42.1251 172.5854 14 E 4.9545 9.0398 119.4857 55.2075 30.9630 176.2010 15 L 4.4896 9.0545 123.9892 55.5039 45.6187 174.7441 16 D 4.5386 9.9247 125.8623 55.6188 38.2636 174.8649 17 G 3.9291 8.5694 105.2222 45.7493 0.0000 174.0078 18 Q 4.3220 7.8672 119.0563 53.7890 31.2426 174.0378 19 I 4.5235 7.2082 112.4941 59.0979 39.8709 174.4451 20 F 5.2342 8.1478 125.0098 55.4063 42.3355 173.9870 21 Q 4.9139 8.7053 123.0206 54.1580 31.8836 174.5990 22 V 4.3225 8.5908 127.1093 62.8788 31.9416 176.0786 23 I 4.6928 8.8957 121.5742 61.3831 39.7942 175.6302 24 E 5.1640 8.0767 120.5626 54.9538 34.0561 174.2450 25 F 5.5079 8.2813 115.3440 56.2040 41.1756 173.4469 26 Q 4.3390 9.0470 118.7038 54.7707 33.0602 173.5170 27 H 5.0891 8.8717 121.1036 54.5399 30.4604 174.7398 28 V 4.1798 8.6431 122.9632 60.6671 34.7208 174.0755 29 K 4.4069 8.4366 128.0948 55.6672 33.9726 172.6906 30 P 4.1382 0.0000 0.0000 64.3735 31.4206 178.4949 *33 G 3.8879 8.4087 105.7309 44.8760 0.0000 173.7438 34 A 4.4079 8.6310 128.4192 50.4329 19.6333 176.9753 35 A 4.4599 8.5945 125.4774 52.6849 19.2669 176.3493 36 F 5.2148 8.6139 114.4923 55.4269 42.5217 173.3766 37 V 4.8552 9.1509 119.7516 61.3256 33.9073 174.4600 38 R 5.0179 8.9451 127.8371 55.5739 31.8559 175.7708 39 T 5.3900 9.1097 113.0035 60.0063 72.8813 172.6113 40 K 5.0647 8.9301 123.0131 54.8597 34.5522 175.1800 41 L 5.1789 9.2081 125.0666 52.7425 44.9757 175.2712 42 K 4.7082 8.9471 125.5970 54.9919 34.0317 174.8802 43 N 4.6260 9.4796 127.5714 53.4123 39.0200 175.3708 44 I 3.4458 8.0472 128.8850 64.6035 37.2492 178.4626 45 V 3.3088 7.5009 120.5524 65.6990 31.5985 177.0132 46 T 4.0298 8.0170 108.0527 61.9699 69.1679 175.9939 47 G 3.8477 8.4763 109.5457 44.7931 0.0000 173.4318 48 A 4.1978 7.6618 121.8191 52.3252 19.7348 176.7171 49 T 5.1476 8.4819 117.5511 61.7681 70.7306 173.7623 50 I 4.6850 8.7646 119.3943 59.0807 41.5515 173.8759 51 E 5.1265 8.5836 121.7572 54.8532 31.2817 175.8285 52 K 4.5010 8.7877 122.0703 54.9292 36.9389 175.2251 53 T 5.0225 8.0523 119.2389 61.8286 71.0919 173.5269 54 F 5.0603 9.2764 123.9032 55.3409 43.7168 173.7474 55 N 4.8341 9.1004 120.7647 52.8693 39.3816 174.3477 56 P 4.5160 0.0000 0.0000 65.6596 31.6746 178.3348 57 T 3.9967 8.5523 107.6184 63.4654 69.3055 174.9847 58 D 4.3518 8.3102 123.7082 54.5881 41.2247 175.6896 59 K 5.2249 7.9911 120.5720 52.9010 35.7488 173.3453 *61 P 4.3265 0.0000 0.0000 62.7689 32.8164 177.4634 62 K 4.6371 8.7458 126.7355 55.3207 32.3788 175.0261 63 A 4.3326 8.6547 128.7184 52.1322 19.4021 177.7067 *64 H 4.7535 8.4981 116.7493 52.4412 31.1473 172.8356 65 I 4.1556 8.3264 126.3827 60.1577 38.0681 175.5900 66 E 4.1940 8.9186 128.1529 56.0648 30.7952 175.4317 67 R 4.9983 8.5702 125.3584 54.2595 33.1662 174.6706 68 K 4.5258 8.6900 125.7533 54.2597 34.8147 175.5079 69 D 5.3018 8.6139 126.7561 53.8129 42.3266 175.5235 *71 Q 4.2264 8.3863 119.7556 56.0222 30.0893 173.2843 72 Y 4.3184 9.2134 127.6832 58.0922 39.3534 174.9859 73 L 4.2508 8.3585 128.3342 54.8917 42.2593 176.2936 74 Y 4.1260 6.0867 113.5352 56.5220 41.0480 171.2233 75 N 4.9412 9.1584 121.2827 52.8255 40.5493 174.8265 *76 D 4.7283 9.0724 127.2594 51.8051 40.8821 175.3503 77 G 4.0139 9.0079 118.8231 45.5823 0.0000 171.7509 78 D 4.8805 9.0646 121.8106 52.7454 41.3751 176.2741 79 L 5.0314 7.6037 119.8664 53.2795 45.6225 174.8902 80 Y 4.8170 9.0723 119.6459 56.4713 41.1020 174.1182 81 Y 4.8360 8.6956 122.7792 56.6911 40.2115 175.1120 82 F 5.6697 8.7224 122.3637 54.7252 43.6629 172.8851 *84 D 4.4858 8.4906 117.6160 54.8525 41.5592 176.9126 85 T 3.7325 8.4511 116.4288 63.4355 69.4475 175.0171 86 E 4.1483 8.1414 120.8642 57.5833 30.5971 176.7386 87 T 4.3147 8.2105 106.2747 60.6994 69.7257 175.1064 88 F 3.8974 7.8486 119.5133 58.0927 37.3834 174.9292 89 E 4.2712 7.8195 120.4005 56.7299 29.6569 176.5833 90 Q 4.9747 8.7084 122.0530 54.3880 32.0242 175.1424 91 L 4.7357 8.9790 122.7386 52.9403 45.0567 173.2375 92 P 4.8437 0.0000 0.0000 61.8306 32.5710 175.3116 93 L 4.8310 9.0542 124.5721 52.6362 45.2745 176.7100 94 G 4.1376 8.6771 113.2543 45.0151 0.0000 175.3766 95 K 3.7872 8.8410 121.7047 57.4346 31.9121 179.7997 96 D 4.4504 8.2585 117.8705 56.8011 39.0850 178.5836 97 K 4.1340 8.0822 118.6156 57.8569 32.2325 179.0970 98 I 3.7060 7.6679 120.5887 62.4925 37.6297 176.3835 99 G 3.5918 8.2903 110.1597 47.9651 0.0000 174.2461 100 D 4.6957 8.4076 122.9500 52.6962 39.9488 176.3535 101 A 4.0270 7.7047 125.0753 55.7939 18.5943 179.2789 102 L 4.3846 7.5657 113.8123 54.3578 42.0953 177.8853 103 K 3.5726 7.5701 121.7580 59.1537 31.8466 177.6995 104 F 4.8717 7.9588 114.0686 57.0056 39.4813 175.0010 105 V 4.3083 7.6002 121.8475 60.7789 31.8757 175.7199 106 K 4.4568 8.4607 126.8033 55.9419 33.6242 176.2923 107 E 3.8645 8.4981 119.5789 58.2257 29.7263 177.4555 108 N 4.5950 9.2476 119.3524 53.3230 37.2833 174.5155 109 E 4.4488 7.8875 118.4990 56.0998 31.2029 175.6646 110 I 4.6324 8.2804 123.0875 60.7028 38.5392 175.4402 111 V 4.6034 8.4060 118.3986 59.5360 36.5579 173.9633 112 K 4.7957 8.5748 120.6624 55.0016 34.1537 175.9921 113 V 4.3010 8.6481 125.4648 61.2543 33.5822 174.2572 114 L 4.9080 8.2669 128.5438 53.2680 43.3653 175.8269 115 S 5.1571 8.7234 117.3546 57.1549 67.3051 172.3611 116 H 4.9743 9.3401 120.4681 55.0561 32.8961 173.7168 117 K 3.8333 9.6478 125.8786 57.4202 29.6881 174.9394 118 G 3.9875 8.4066 107.1469 45.3137 0.0000 173.5974 119 N 4.5664 8.2497 119.3021 52.4337 39.4324 174.0090 120 V 4.2126 8.3030 126.2193 62.4485 32.2599 175.1160 121 F 4.8969 7.7811 120.4989 56.1217 39.2489 174.5141 122 G 3.9404 6.7219 105.5093 46.9193 0.0000 172.1924 123 I 4.9002 8.1334 119.7157 59.2235 40.9920 174.9897 124 E 4.7050 8.9116 126.0650 53.8014 31.8450 174.3131 125 P 4.9011 0.0000 0.0000 61.1612 32.7470 174.3627 126 P 4.4019 0.0000 0.0000 62.8851 31.8290 176.1943 127 N 4.2102 8.5714 116.8391 55.7588 39.4757 175.0657 128 F 5.4211 7.7290 115.0418 55.8231 42.9740 174.7832 129 V 4.6784 8.8448 114.5649 59.7650 36.5654 174.1172 130 E 5.1535 8.8233 121.2929 54.8415 31.4258 175.6569 131 L 5.0983 8.7878 123.9954 52.7516 46.3220 175.4503 132 E 4.7484 9.2188 123.2397 55.6535 31.4208 175.5934 133 V 4.1954 9.1664 127.8017 63.1822 32.1526 176.1499 134 T 4.7186 8.9453 117.9807 61.9336 70.5960 174.1924 135 D 4.5927 7.7783 121.6503 53.8504 44.7118 173.8728 136 T 4.4687 8.2543 119.1740 61.8216 70.7517 171.8757 *144 T 4.0097 8.3298 116.5758 61.8180 68.2234 173.2202 145 A 4.1616 8.8191 132.1662 55.0544 18.7537 178.2939 146 T 4.4313 7.8970 101.9656 61.1403 70.5852 173.9902 147 G 4.0704 7.4962 109.1604 44.0260 0.0000 172.7080 148 A 4.7269 8.2309 119.1497 51.5532 19.6523 175.4921 149 T 4.9553 7.7260 107.4919 61.3894 72.2461 172.9161 150 K 4.8229 8.7862 121.2544 54.1307 36.3795 173.8225 151 P 4.7396 0.0000 0.0000 63.2232 32.2240 175.0597 152 A 4.9586 8.9020 122.2965 50.8451 23.5325 174.7914 153 I 4.9862 8.9525 119.5312 59.8150 40.9939 176.2194 154 V 4.7671 8.4736 119.6747 59.4170 34.0418 176.8116 155 E 4.0530 8.7287 119.3991 59.3681 29.3223 178.2512 156 T 4.0956 7.8998 108.0134 62.4097 69.3407 175.4235 157 G 3.9286 8.4050 111.2586 44.7976 0.0000 173.6804 158 A 4.2547 7.4978 121.4516 51.7159 19.4803 177.1515 159 S 5.0328 8.5611 116.2536 58.1766 64.8863 173.4040 160 I 4.5647 8.5346 120.5264 60.0184 41.8197 173.3314 161 K 4.8381 8.6782 128.3675 56.0866 32.9330 176.5538 162 V 4.0297 8.5022 117.1293 58.3155 36.3572 173.7437 163 P 4.5777 0.0000 0.0000 61.7876 31.5755 177.8209 164 L 3.9734 7.7635 119.5742 57.1125 41.6862 178.3952 165 F 4.5277 7.0445 111.6886 57.4744 38.5508 175.8949 166 V 4.1203 7.1582 122.3206 62.8081 32.0756 174.7242 167 N 5.1517 9.5950 123.7109 50.6225 41.8959 173.9970 168 K 4.1114 8.5849 118.9192 58.7803 32.4664 176.5902 169 G 4.2086 9.2605 111.9797 45.0248 0.0000 173.9085 170 D 4.5940 8.1902 119.4667 54.6444 42.2704 175.5700 171 I 5.0033 8.3979 122.7097 59.8098 39.4951 174.6660 172 I 5.0076 9.0232 120.1402 59.0173 41.0338 174.2554 173 R 4.9276 8.7033 125.1072 55.6013 31.2399 175.6267 174 I 4.7208 8.5313 126.1020 59.3686 41.3857 174.0392 175 D 5.0761 8.7960 127.0699 54.1401 41.3221 176.9510 176 T 3.6107 8.4730 117.7366 64.2071 69.1226 176.5010 177 R 4.0045 8.1290 122.8400 59.1453 30.1612 177.3092 178 T 4.1792 8.0527 105.3656 61.2730 69.6806 175.4249 179 G 3.7407 8.2218 109.8348 46.1018 0.0000 172.7932 180 E 4.6682 7.5059 119.0693 54.4744 31.9803 175.4663 181 Y 4.5656 8.4612 124.3295 57.5651 40.9031 173.8820 *183 E 3.8344 8.3386 119.1896 55.7808 31.5617 175.0266 184 R 4.5407 8.4124 118.6205 56.3368 31.0317 177.3982 185 V 3.8205 8.5101 120.7008 61.7125 32.3732 170.1739 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 I 7.88 4.08 1.87 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 1.28 0.91 0.00 0.00 3 S 8.15 4.37 0.00 3.99 3.71 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 4 A 8.46 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 7.65 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 7.60 4.63 0.00 2.70 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.45 4.50 0.00 2.90 2.59 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 8 K 7.82 3.12 0.00 1.73 1.61 0.00 1.50 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.38 7.81 9 N 8.50 4.72 0.00 2.87 2.89 0.00 0.00 7.07 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 10 G 9.22 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 11 V 7.40 3.88 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 0.97 0.00 0.00 0.93 0.00 0.00 12 T 8.73 5.67 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 1.14 0.00 0.00 13 F 7.86 5.48 0.00 3.31 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 9.04 4.95 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 15 L 9.05 4.49 0.00 2.26 2.03 1.20 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 16 D 9.92 4.54 0.00 3.03 2.82 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 17 G 8.57 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 18 Q 7.87 4.32 0.00 1.21 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.31 0.00 19 I 7.21 4.52 1.49 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.35 0.54 0.00 0.00 20 F 8.15 5.23 0.00 1.84 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.71 4.91 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 22 V 8.59 4.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.62 0.00 0.00 23 I 8.90 4.69 1.90 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 1.34 0.87 0.92 0.00 0.00 24 E 8.08 5.16 0.00 1.93 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 2.31 2.33 0.00 25 F 8.28 5.51 0.00 3.09 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 26 Q 9.05 4.34 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 27 H 8.87 5.09 0.00 3.07 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.64 4.18 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 0.00 0.00 0.60 0.00 0.00 0.64 0.00 0.00 29 K 8.44 4.41 0.00 1.66 1.60 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.43 7.81 30 P 0.00 4.14 0.00 2.29 2.04 0.00 3.86 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 2.02 2.27 0.00 *33 G 8.41 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.63 4.41 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.59 4.46 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.61 5.21 0.00 3.15 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 37 V 9.15 4.86 2.31 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 1.17 0.00 0.00 0.99 0.00 0.00 38 R 8.95 5.02 0.00 1.93 1.92 0.00 3.35 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.91 0.00 39 T 9.11 5.39 4.45 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 1.66 0.00 0.00 40 K 8.93 5.06 0.00 1.75 1.77 0.00 1.61 0.00 0.00 1.94 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.41 7.81 41 L 9.21 5.18 0.00 1.26 1.39 0.62 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.95 4.71 0.00 1.82 1.66 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.36 7.81 43 N 9.48 4.63 0.00 2.88 2.74 0.00 0.00 6.78 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 44 I 8.05 3.45 1.36 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.68 0.15 0.00 0.00 45 V 7.50 3.31 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.53 0.00 0.00 46 T 8.02 4.03 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 1.14 0.00 0.00 47 G 8.48 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.66 4.20 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 49 T 8.48 5.15 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 1.25 0.00 0.00 50 I 8.76 4.69 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.79 0.94 0.00 0.00 51 E 8.58 5.13 0.00 1.82 1.86 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.23 1.46 7.81 *61 P 0.00 4.33 0.00 2.27 2.05 0.00 3.91 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 62 K 8.75 4.64 0.00 1.54 1.60 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.02 7.81 63 A 8.65 4.33 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *64 H 8.50 4.75 0.00 2.88 2.81 0.00 7.21 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.33 4.16 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.01 1.02 0.00 0.00 66 E 8.92 4.19 0.00 2.08 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 0.00 2.26 2.27 0.00 67 R 8.57 5.00 0.00 1.64 1.74 0.00 3.20 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 68 K 8.69 4.53 0.00 1.82 1.54 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.25 7.81 69 D 8.61 5.30 0.00 2.58 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 *71 Q 8.39 4.23 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.11 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 72 Y 9.21 4.32 0.00 3.15 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.36 4.25 0.00 1.26 1.71 0.95 0.83 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 74 Y 6.09 4.13 0.00 2.92 2.82 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 75 N 9.16 4.94 0.00 2.33 2.71 0.00 0.00 6.73 8.47 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 *76 D 9.07 4.73 0.00 2.64 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 77 G 9.01 4.01 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 0.00 78 D 9.06 4.88 0.00 2.86 2.91 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.20 0.00 0.00 88 F 7.85 3.90 0.00 3.26 3.22 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 0.00 89 E 7.82 4.27 0.00 1.88 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 2.41 2.47 0.00 90 Q 8.71 4.97 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 91 L 8.98 4.74 0.00 1.75 1.61 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.84 0.00 1.87 1.69 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 93 L 9.05 4.83 0.00 1.75 1.58 0.58 0.55 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 94 G 8.68 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 0.00 0.00 0.00 0.00 95 K 8.84 3.79 0.00 1.69 1.85 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.02 7.81 96 D 8.26 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0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.46 7.81 113 V 8.65 4.30 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.51 0.00 0.00 114 L 8.27 4.91 0.00 1.01 0.35 0.72 0.75 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 0.00 115 S 8.72 5.16 0.00 3.90 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 0.00 116 H 9.34 4.97 0.00 3.30 3.14 0.00 5.92 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 0.00 117 K 9.65 3.83 0.00 1.76 1.74 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.21 0.93 7.81 118 G 8.41 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.25 4.57 0.00 2.75 2.76 0.00 0.00 6.68 7.25 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 0.00 120 V 8.30 4.21 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 0.71 0.00 0.00 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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 0.79 0.00 0.00 0.99 0.00 0.00 130 E 8.82 5.15 0.00 1.85 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 2.31 0.00 131 L 8.79 5.10 0.00 1.66 1.60 1.16 0.62 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 0.00 132 E 9.22 4.75 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 133 V 9.17 4.20 2.13 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 0.84 0.00 0.00 1.01 0.00 0.00 134 T 8.95 4.72 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 0.00 135 D 7.78 4.59 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 T 8.25 4.47 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 1.22 0.00 0.00 *144 T 8.33 4.01 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 1.25 0.00 0.00 145 A 8.82 4.16 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 0.00 146 T 7.90 4.43 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 1.21 0.00 0.00 147 G 7.50 4.07 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 0.00 0.00 0.00 148 A 8.23 4.73 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 0.00 149 T 7.73 4.96 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 1.10 0.00 0.00 150 K 8.79 4.82 0.00 1.73 1.83 0.00 1.27 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.27 7.81 151 P 0.00 4.74 0.00 2.09 2.09 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 152 A 8.90 4.96 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 0.00 153 I 8.95 4.99 1.90 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 1.25 0.79 0.94 0.00 0.00 154 V 8.47 4.77 2.25 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 0.88 0.00 0.00 1.18 0.00 0.00 155 E 8.73 4.05 0.00 2.15 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 0.00 2.38 2.32 0.00 156 T 7.90 4.10 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 157 G 8.40 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 0.00 158 A 7.50 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 S 8.56 5.03 0.00 3.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 I 8.53 4.56 2.05 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 1.32 1.17 1.07 0.00 0.00 161 K 8.68 4.84 0.00 1.66 1.67 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.47 7.81 162 V 8.50 4.03 1.67 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 0.71 0.00 0.00 0.85 0.00 0.00 163 P 0.00 4.58 0.00 0.62 1.12 0.00 2.76 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 164 L 7.76 3.97 0.00 1.55 1.67 0.89 0.74 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 0.00 165 F 7.04 4.53 0.00 3.04 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 7.16 4.12 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 0.83 0.00 0.00 0.91 0.00 0.00 167 N 9.60 5.15 0.00 2.77 2.68 0.00 0.00 6.69 7.48 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 0.00 168 K 8.58 4.11 0.00 1.76 1.81 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.49 7.81 169 G 9.26 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 0.00 0.00 0.00 0.00 170 D 8.19 4.59 0.00 2.79 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 0.00 171 I 8.40 5.00 1.90 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 1.44 0.89 0.99 0.00 0.00 172 I 9.02 5.01 1.99 0.00 0.00 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 1.38 1.03 1.16 0.00 0.00 173 R 8.70 4.93 0.00 1.68 1.67 0.00 3.02 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 174 I 8.53 4.72 1.67 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 1.06 0.86 0.17 0.00 0.00 175 D 8.80 5.08 0.00 2.88 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 0.00 176 T 8.47 3.61 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 1.17 0.00 0.00 177 R 8.13 4.00 0.00 1.73 2.08 0.00 3.21 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 178 T 8.05 4.18 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 0.00 179 G 8.22 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 180 E 7.51 4.67 0.00 1.90 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 2.29 2.42 0.00 181 Y 8.46 4.57 0.00 3.07 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 *183 E 8.34 3.83 0.00 2.04 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 2.05 2.05 0.00 184 R 8.41 4.54 0.00 1.94 1.97 0.00 3.33 0.00 0.00 3.59 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.98 0.00 185 V 8.51 3.82 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 0.54 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.