NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.2278 8.1744 110.9427 61.3669 70.0711 172.6707 8 D 4.4714 8.2476 121.6783 50.6656 41.3454 174.7221 9 P 4.3277 0.0000 0.0000 65.4829 32.4765 177.0521 10 R 4.2079 8.1250 115.9970 56.7600 30.5466 176.7491 11 A 4.2085 7.3787 120.9232 51.2195 18.9732 177.2424 12 K 4.0128 8.4756 121.0587 56.1798 32.7559 176.5624 13 W 4.2272 8.8383 135.0000 57.3335 31.1198 175.5332 14 V 4.0409 7.5955 125.6208 59.9750 31.6011 173.0963 15 P 3.8740 0.0000 0.0000 62.1503 32.1472 175.7099 16 Q 4.6771 8.6452 117.3272 54.6844 31.8325 174.2038 17 D 5.6013 8.5475 115.9284 54.3118 41.5703 175.4271 18 N 4.9873 9.4691 112.7354 52.0056 38.6863 174.0463 19 D 4.2571 7.9677 118.9186 53.8226 42.5073 175.3222 20 I 3.0590 7.9511 120.4468 61.9967 37.9562 176.4887 21 Q 4.2849 8.4749 119.5451 55.9828 29.2866 175.1885 22 A 4.7665 7.4493 121.5189 50.4700 20.5619 177.8036 23 C 4.6425 8.9403 118.9191 59.2753 41.8586 174.3150 24 D 4.9779 8.1371 118.6821 52.9496 39.5277 175.2852 25 Y 4.7226 8.2623 122.8239 57.4629 38.9865 176.6507 26 W 4.6343 8.8609 125.1075 59.9726 28.0317 178.1758 27 R 3.4410 5.8400 114.9980 57.5954 29.8663 176.3687 28 H 5.1547 8.3515 115.9936 55.7427 28.8665 174.5704 29 C 2.5899 7.8255 116.3189 57.6756 41.2832 174.4632 30 S 4.8364 7.7996 115.4607 56.8922 62.2364 173.7052 31 I 3.3319 7.4207 118.0448 59.9449 39.7753 174.1564 32 D 4.7707 8.8071 126.3675 53.7014 44.3299 171.9251 33 G 4.2356 7.7516 117.6180 44.2876 0.0000 175.4494 34 N 5.4450 9.6170 122.8484 50.8639 42.2896 173.3643 35 I 4.2700 8.2237 122.7381 60.9576 37.6158 176.4433 36 C 4.0978 8.6884 124.1540 60.1421 35.1386 175.7926 37 D 4.1058 8.1699 118.1683 56.8682 40.7756 177.7523 38 C 4.8163 8.1779 114.8273 57.3043 40.3807 173.8380 39 S 4.6211 8.6069 113.9861 58.3735 63.2359 174.9632 40 G 4.0673 8.7342 108.1939 46.0016 0.0000 175.3377 41 G 4.0796 7.5823 110.9263 44.8689 0.0000 171.3760 42 S 4.9615 8.1717 115.2684 56.2228 66.3876 173.2737 43 L 4.0438 8.6995 120.8965 58.1424 41.5716 178.4390 44 T 4.7963 7.8086 103.9490 60.9162 69.6864 172.8242 45 N 5.0817 7.8915 118.9458 51.7513 42.0545 173.7310 46 C 4.6158 8.2950 117.9760 58.5543 29.4823 172.2368 47 P 4.5233 0.0000 0.0000 61.3735 31.7280 174.4057 48 P 4.3062 0.0000 0.0000 64.2962 31.6246 177.0674 49 G 3.9608 8.9078 111.0169 45.2492 0.0000 173.4691 50 T 4.2273 6.7251 108.7374 60.6422 70.7924 174.1957 51 K 4.5667 8.9082 121.3609 54.4434 35.1828 175.4342 52 L 4.6047 8.4556 126.7100 53.9366 42.9379 176.0777 53 A 4.6576 8.6856 128.9886 52.5849 18.9708 176.8049 54 T 4.3696 8.7529 109.1235 63.2667 70.9282 175.5239 55 A 4.7517 8.0193 123.5328 50.9846 20.8229 178.0476 56 S 3.9525 7.0662 117.8632 58.7613 65.8720 179.2169 *58 V 4.4965 8.7247 113.8722 61.6278 32.6579 172.9192 59 A 4.6318 8.0282 118.8664 51.4738 22.2872 175.4750 60 S 4.9723 8.8900 116.5309 57.8719 63.3164 173.8485 61 C 5.2983 9.6333 125.5797 55.3396 38.3801 172.5721 62 Y 4.6884 9.0213 124.9525 57.2911 40.1642 173.3628 63 N 3.7692 8.1812 126.7330 50.7346 39.3042 173.7961 64 P 4.1153 0.0000 0.0000 65.2530 31.8338 178.1164 65 T 3.8945 7.9164 116.5394 66.1218 68.3156 175.1265 66 D 4.6305 7.5381 116.3148 52.1702 39.9234 176.4435 67 G 3.9230 7.7027 106.8366 46.2907 0.0000 173.6006 68 Q 4.5404 8.1866 118.8673 54.2672 31.6221 174.5801 69 S 5.3053 8.1640 116.9192 57.1938 65.6339 172.8143 70 Y 5.1279 9.3271 121.7761 55.9799 41.8238 174.5121 71 L 4.8134 9.2521 125.4556 54.7243 43.6935 175.3240 72 I 4.5252 8.8486 127.9437 59.7612 39.2400 174.8408 73 A 4.1604 8.1379 129.4910 50.4296 19.1826 176.7753 74 Y 4.7664 7.8957 120.5991 58.0234 35.8703 175.7285 75 R 4.4179 8.0168 121.4738 55.8890 32.4832 175.3300 76 D 5.5201 8.6021 121.3390 53.1536 44.2497 175.0190 77 C 5.0821 8.7593 119.2522 58.6592 30.3319 172.5205 78 C 5.8134 9.1399 121.0866 54.2424 44.4245 174.9259 79 G 4.0912 9.3605 106.0392 45.8484 0.0000 172.8899 80 Y 4.7760 7.3409 114.7070 55.6181 41.9405 174.6463 81 N 4.5468 8.4829 120.2578 52.8584 39.8265 174.8683 82 V 3.7019 8.4517 121.8617 63.4302 31.9074 176.2722 83 S 4.1530 8.2952 121.9534 59.9820 62.7763 175.8894 84 G 3.9615 7.7533 107.2880 45.1046 0.0000 172.9607 85 R 4.5106 7.7065 118.2840 55.5803 33.0428 175.4563 86 C 4.2509 8.6891 117.9976 57.4843 37.4373 171.1340 87 P 5.0526 0.0000 0.0000 62.9903 32.6761 177.0927 88 C 5.0091 9.0490 117.2213 55.8803 45.3751 173.4336 89 L 4.8319 8.3603 123.8400 54.4451 43.6895 174.3288 90 N 5.1388 9.1775 124.2738 50.9318 43.0416 174.5847 91 T 4.9572 7.6366 109.3298 61.0549 69.2317 173.8918 92 E 4.0183 8.1827 122.7838 58.8496 29.3553 177.9325 93 G 3.7528 8.7953 111.9697 45.2462 0.0000 172.2276 94 E 4.2713 7.9312 121.6110 56.2741 29.5561 176.1999 95 L 4.7895 8.5050 126.2703 52.0582 45.3322 174.2058 96 P 4.3944 0.0000 0.0000 62.3739 32.1124 177.9425 97 V 3.6713 8.5166 120.3326 64.9259 31.1530 176.8172 98 Y 4.4420 7.9031 115.8996 57.9925 38.7441 175.5744 99 R 4.7103 7.6650 119.3659 53.9001 30.8574 174.1722 100 P 4.4013 0.0000 0.0000 66.0151 31.6306 178.8164 101 E 3.6409 8.1711 115.3507 58.2627 29.4456 177.4193 102 F 5.0992 8.3893 116.0444 56.8566 40.1117 173.8697 103 A 5.1609 8.5622 124.6659 50.5676 19.4422 177.4744 104 N 5.1012 9.2304 119.8665 52.8395 37.5410 175.4330 105 D 4.7603 7.8500 117.6686 54.8118 41.6569 176.9341 106 I 3.5031 7.2256 120.3356 60.6853 37.5194 176.0048 107 I 3.7820 7.5952 125.7266 60.5224 36.3623 176.6631 108 W 4.7059 8.6000 130.1916 55.8105 27.5474 176.7096 109 C 4.9088 7.2530 114.7737 56.1607 39.3859 174.4259 110 F 4.5853 7.4830 119.9472 59.2917 38.9043 176.2814 111 G 4.3271 9.4052 112.2349 46.3748 0.0000 173.6705 112 A 4.7427 7.6213 122.1476 51.1624 19.3143 177.1323 113 E 3.9760 8.5794 119.8358 57.7934 30.1012 177.3445 114 D 4.4641 9.2340 119.3126 54.7438 38.4783 173.4618 115 D 4.4111 7.9321 116.0617 54.9470 38.9334 173.9379 116 A 4.1134 7.7767 121.3970 52.9610 18.6035 178.3396 117 M 4.6646 8.5031 120.3579 54.7227 34.2370 175.7089 118 T 4.3335 7.6138 110.3660 61.2939 70.8220 173.0371 119 Y 4.5044 8.5669 125.6471 57.8314 39.5316 172.9157 120 H 4.7052 7.9107 124.7114 56.9570 32.3153 171.0731 121 C 4.8455 6.7530 109.6561 55.0305 39.3794 171.7386 122 T 5.3806 9.1219 115.8793 61.7998 71.0311 173.9778 123 I 4.5840 8.5656 118.6926 59.0868 40.5089 175.0857 124 S 4.9817 8.2491 117.2560 56.6967 61.7901 172.4447 125 P 4.5218 0.0000 0.0000 62.3777 33.6378 176.9940 126 I 4.6356 8.0941 122.1385 60.8648 37.9821 176.0448 127 V 4.3287 9.7583 118.5600 60.2276 33.1155 175.5951 128 G 4.2291 7.5852 109.1198 45.8700 0.0000 171.7866 129 K 4.6005 8.2718 119.1656 55.8136 33.3006 176.9245 130 A 4.9293 8.4306 125.7005 50.6846 21.8499 176.8725 131 S 4.3495 8.5797 111.7110 59.0987 63.0693 174.3685 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 7 T 8.17 4.23 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 1.22 0.00 0.00 8 D 8.25 4.47 0.00 2.83 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.33 0.00 2.24 2.20 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 10 R 8.12 4.21 0.00 1.98 2.04 0.00 3.18 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 11 A 7.38 4.21 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 12 K 8.48 4.01 0.00 1.77 1.78 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.51 7.81 13 W 8.84 4.23 0.00 3.35 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 14 V 7.60 4.04 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 0.82 0.00 0.00 0.94 0.00 0.00 15 P 0.00 3.87 0.00 2.21 1.63 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 16 Q 8.65 4.68 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 17 D 8.55 5.60 0.00 2.61 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 18 N 9.47 4.99 0.00 2.77 2.88 0.00 0.00 6.53 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 19 D 7.97 4.26 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.06 1.31 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 1.19 0.54 0.01 0.00 0.00 21 Q 8.47 4.28 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 22 A 7.45 4.77 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.94 4.64 0.00 3.13 3.34 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 24 D 8.14 4.98 0.00 2.67 2.83 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 25 Y 8.26 4.72 0.00 3.37 2.91 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 26 W 8.86 4.63 0.00 3.72 3.26 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 27 R 5.84 3.44 0.00 1.41 1.29 0.00 2.21 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 28 H 8.35 5.15 0.00 3.55 3.36 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.83 2.59 0.00 2.28 3.42 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 30 S 7.80 4.84 0.00 3.78 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 31 I 7.42 3.33 1.79 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 1.04 1.42 0.89 0.00 0.00 32 D 8.81 4.77 0.00 2.79 2.38 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 0.00 33 G 7.75 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 0.00 0.00 0.00 0.00 34 N 9.62 5.45 0.00 2.66 2.86 0.00 0.00 7.39 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 35 I 8.22 4.27 1.86 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 1.12 0.53 0.94 0.00 0.00 36 C 8.69 4.10 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 37 D 8.17 4.11 0.00 2.71 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 38 C 8.18 4.82 0.00 3.11 3.09 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 39 S 8.61 4.62 0.00 3.96 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 40 G 8.73 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 41 G 7.58 4.08 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 0.00 0.00 0.00 42 S 8.17 4.96 0.00 3.90 3.81 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 43 L 8.70 4.04 0.00 1.63 1.69 0.93 0.68 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 44 T 7.81 4.80 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 45 N 7.89 5.08 0.00 2.69 2.67 0.00 0.00 7.02 8.94 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 46 C 8.30 4.62 0.00 2.90 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 47 P 0.00 4.52 0.00 1.98 2.10 0.00 3.48 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 2.09 2.14 0.00 48 P 0.00 4.31 0.00 2.01 1.96 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 49 G 8.91 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 50 T 6.73 4.23 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 0.31 0.00 0.00 51 K 8.91 4.57 0.00 1.62 1.95 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.66 7.81 52 L 8.46 4.60 0.00 1.73 1.54 0.92 1.55 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 53 A 8.69 4.66 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.75 4.37 4.26 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 1.31 0.00 0.00 55 A 8.02 4.75 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 56 S 7.07 3.95 0.00 4.00 3.10 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 0.00 0.00 0.00 *58 V 8.72 4.50 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.97 0.00 0.00 59 A 8.03 4.63 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 60 S 8.89 4.97 0.00 3.95 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 61 C 9.63 5.30 0.00 3.26 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 62 Y 9.02 4.69 0.00 3.16 3.01 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 63 N 8.18 3.77 0.00 1.44 2.22 0.00 0.00 6.56 7.45 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 64 P 0.00 4.12 0.00 2.14 2.17 0.00 3.18 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.05 0.00 65 T 7.92 3.89 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 1.13 0.00 0.00 66 D 7.54 4.63 0.00 2.68 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 67 G 7.70 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.19 4.54 0.00 1.90 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 69 S 8.16 5.31 0.00 3.75 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 70 Y 9.33 5.13 0.00 3.26 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 71 L 9.25 4.81 0.00 1.79 1.59 1.08 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.85 4.53 1.34 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.14 0.13 0.00 0.00 73 A 8.14 4.16 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 0.00 0.00 0.00 0.00 0.00 74 Y 7.90 4.77 0.00 2.93 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 75 R 8.02 4.42 0.00 1.80 1.88 0.00 3.30 0.00 0.00 3.52 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 76 D 8.60 5.52 0.00 2.88 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.76 5.08 0.00 2.75 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 78 C 9.14 5.81 0.00 2.77 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 79 G 9.36 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.34 4.78 0.00 2.57 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.48 4.55 0.00 2.64 2.71 0.00 0.00 6.93 7.71 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 82 V 8.45 3.70 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.02 0.00 0.00 83 S 8.30 4.15 0.00 3.99 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.75 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 85 R 7.71 4.51 0.00 1.80 1.83 0.00 3.33 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 86 C 8.69 4.25 0.00 3.11 3.10 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 0.00 0.00 0.00 87 P 0.00 5.05 0.00 2.19 2.07 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 88 C 9.05 5.01 0.00 2.83 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 89 L 8.36 4.83 0.00 1.53 1.50 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.18 5.14 0.00 2.36 2.11 0.00 0.00 6.18 7.78 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 91 T 7.64 4.96 4.17 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 1.18 0.00 0.00 92 E 8.18 4.02 0.00 1.87 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 1.91 2.13 0.00 93 G 8.80 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 94 E 7.93 4.27 0.00 1.94 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 2.56 2.61 0.00 95 L 8.51 4.79 0.00 1.79 1.44 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.39 0.00 1.58 2.06 0.00 3.28 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 2.15 2.09 0.00 97 V 8.52 3.67 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 0.83 0.00 0.00 0.95 0.00 0.00 98 Y 7.90 4.44 0.00 3.11 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 99 R 7.66 4.71 0.00 1.78 1.91 0.00 3.39 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.52 0.00 100 P 0.00 4.40 0.00 2.47 2.49 0.00 3.82 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 101 E 8.17 3.64 0.00 1.50 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 1.47 1.47 0.00 102 F 8.39 5.10 0.00 3.08 2.96 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 0.00 103 A 8.56 5.16 1.48 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 0.00 0.00 104 N 9.23 5.10 0.00 2.78 2.90 0.00 0.00 7.01 7.99 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 0.00 105 D 7.85 4.76 0.00 2.62 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 0.00 106 I 7.23 3.50 0.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.31 -0.30 0.00 0.00 107 I 7.60 3.78 1.61 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 1.23 0.63 0.92 0.00 0.00 108 W 8.60 4.71 0.00 3.65 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 0.00 109 C 7.25 4.91 0.00 2.73 3.20 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 0.00 110 F 7.48 4.59 0.00 3.29 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 0.00 111 G 9.41 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 0.00 112 A 7.62 4.74 1.38 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 0.00 0.00 0.00 113 E 8.58 3.98 0.00 2.09 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 0.00 2.40 2.41 0.00 114 D 9.23 4.46 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 0.00 115 D 7.93 4.41 0.00 2.81 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 0.00 116 A 7.78 4.11 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 0.00 117 M 8.50 4.66 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 118 T 7.61 4.33 4.28 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 1.22 0.00 0.00 119 Y 8.57 4.50 0.00 2.98 2.94 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 0.00 120 H 7.91 4.71 0.00 3.21 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.75 4.85 0.00 3.12 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 0.00 122 T 9.12 5.38 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 1.53 0.00 0.00 123 I 8.57 4.58 1.98 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 1.44 0.92 0.91 0.00 0.00 124 S 8.25 4.98 0.00 3.76 3.88 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 0.00 125 P 0.00 4.52 0.00 2.05 2.11 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 126 I 8.09 4.64 1.85 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 1.31 0.42 1.08 0.00 0.00 127 V 9.76 4.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.99 0.00 0.00 128 G 7.59 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.27 4.60 0.00 1.61 1.62 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.85 1.34 7.81 130 A 8.43 4.93 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 0.00 131 S 8.58 4.35 0.00 3.87 3.77 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 * Residues marked with a * may have inaccurate shift predictions.