NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 C 5.4880 8.4016 120.0399 56.7091 39.0639 172.6734 5 S 4.5929 8.4095 120.2741 56.2208 65.3659 172.2129 6 L 4.2057 8.4392 126.0598 55.3313 41.7755 176.3152 7 T 4.3997 8.6001 116.4973 61.7712 69.4550 175.3113 8 G 3.5896 7.3098 113.4844 43.6874 0.0000 170.6972 9 K 4.8135 7.8476 121.5455 54.5781 33.8319 175.8147 10 W 5.7304 10.0298 127.5457 54.3287 32.8367 174.4966 11 T 5.1975 8.8028 117.0974 60.6314 70.4744 172.9565 12 N 5.4906 8.9827 126.8692 50.5586 40.2969 174.8696 13 D 4.6744 8.6467 116.8592 54.8704 39.7473 176.5007 14 L 4.3399 8.9490 120.3521 54.7903 42.3415 177.3384 15 G 4.0695 7.8167 105.1966 44.8607 0.0000 173.6619 16 S 4.7623 8.0270 116.1955 57.9227 64.8294 173.6691 17 N 5.5915 8.3640 121.6284 52.2353 41.3585 173.4428 18 M 4.4336 7.9353 114.5727 55.4990 34.6622 174.3813 19 T 4.8665 8.1766 118.5885 61.7710 72.5468 172.8200 20 I 4.5392 8.3783 127.0325 59.3145 39.3736 176.7852 21 G 4.0353 8.2943 118.4260 45.0828 0.0000 171.5493 22 A 4.0439 8.4209 123.6506 51.7195 19.0021 178.2758 23 V 4.1406 7.6343 124.2847 60.1915 30.7035 175.7661 24 N 4.3611 8.2590 123.4140 52.5288 37.3061 175.2304 25 S 4.2061 8.6454 112.0483 61.9981 62.8357 176.0304 26 R 4.0680 8.2621 119.8936 56.5502 29.8842 178.0538 27 G 4.6254 9.2700 116.2138 47.1361 0.0000 172.7202 28 E 3.8486 7.2316 119.8220 54.8576 30.7527 175.9176 29 F 5.0880 7.6394 112.7968 56.7588 40.9014 172.6240 30 T 5.2128 8.2192 115.9734 61.9903 73.4078 172.7190 31 G 4.2129 7.7836 107.7821 46.8618 0.0000 172.0916 32 T 5.2798 8.3272 109.3252 59.8911 72.4092 172.4430 33 Y 4.8385 9.0266 123.9656 56.2502 42.2452 174.3175 34 T 5.0518 8.4211 122.8917 62.0477 70.7854 173.6372 35 T 5.2238 9.2822 120.8047 61.0693 68.5577 173.7483 36 A 4.6905 8.7560 124.2386 51.6922 20.4058 175.6078 37 V 4.5384 7.5604 108.0038 60.3912 35.8543 173.2712 38 T 4.0438 7.4976 111.2483 62.4613 69.5517 174.0347 39 A 4.4817 8.5431 125.9910 52.3350 19.1399 177.4483 40 T 3.8344 8.5895 121.5110 64.4627 72.7256 174.5997 *42 N 4.7737 8.8892 116.3518 53.3508 40.1428 174.6439 43 E 4.6217 8.4391 127.0972 54.9895 32.1274 177.7453 44 I 3.7212 7.5806 123.0467 60.8718 37.4936 174.2563 45 K 4.5448 8.2143 119.1399 54.8619 32.8612 175.3893 46 E 5.3581 8.2192 124.6677 56.0923 30.8513 175.3306 47 S 4.9411 8.4710 117.4561 56.8016 67.8530 171.6967 48 P 5.0368 0.0000 0.0000 62.3112 33.1280 174.8115 49 L 5.0778 8.6983 122.8903 53.1801 43.4983 175.0489 50 H 5.3536 8.7889 118.6558 54.4245 32.4468 173.4462 51 G 3.2630 7.9950 107.5857 46.7462 0.0000 170.6407 52 T 4.1728 7.1357 111.6155 61.1895 71.5244 173.1449 53 E 5.0521 8.6231 129.6855 54.4849 31.6585 174.9830 54 N 4.6451 8.7204 126.1338 52.8300 39.1185 174.9924 55 T 3.9588 8.6715 116.7850 64.7355 69.2800 174.4955 56 I 3.6626 7.5829 122.7824 62.9864 37.0792 175.2435 57 N 4.4057 8.8343 121.6626 53.3663 35.5470 175.7646 58 K 3.9576 7.4502 112.3017 58.0390 29.8101 175.2531 59 R 4.5047 7.5251 128.5809 56.1288 31.0789 176.0856 60 T 4.7522 8.2681 100.7269 61.6983 71.7940 174.0599 61 Q 4.7104 8.0101 120.9365 52.0778 29.5264 172.2811 62 P 4.8190 0.0000 0.0000 61.1235 35.0007 175.4677 63 T 4.9302 8.2519 110.3961 61.3450 70.8971 173.3366 64 F 5.4738 8.7616 117.5540 55.8792 42.2927 174.0483 65 G 4.5920 9.1929 106.6961 46.5346 0.0000 171.9911 66 F 5.5096 8.6995 121.5427 54.9680 41.6523 174.3654 67 T 5.0042 9.1282 118.0493 62.1255 70.6030 173.6598 68 V 3.8472 8.6675 128.1542 61.5829 32.8353 174.5472 69 N 4.6257 7.9521 128.7555 51.5009 38.5744 173.9913 70 W 4.3964 7.9210 125.3743 56.5418 29.2594 176.7878 71 K 4.1149 8.6630 123.1885 59.3046 31.6762 178.0593 72 F 4.3222 8.6529 115.4123 57.8579 37.8827 175.5638 73 S 4.4274 8.8055 116.6467 58.6346 62.3958 169.5388 74 E 4.4062 8.2050 121.5917 55.0581 28.3297 175.9744 75 S 5.6085 7.3691 119.5225 58.7226 65.4119 173.5287 76 T 4.2644 7.7003 118.3109 64.9526 72.1540 172.0682 77 T 5.0874 8.4320 119.9537 62.1375 73.8004 173.3178 78 V 4.8597 8.1342 115.2627 59.8288 36.0183 174.7033 79 F 5.1065 9.1666 123.7219 55.8310 42.1346 174.4037 80 T 4.6514 8.4437 116.8084 60.6497 70.6530 173.2334 81 G 4.0501 7.2091 113.8173 45.9915 0.0000 171.1624 82 Q 5.0383 8.3029 119.9333 54.1167 32.3826 174.5025 83 C 4.5061 9.2116 126.7704 57.1004 44.5917 172.6281 84 F 4.9793 8.9263 126.5514 54.8992 41.6674 175.9614 85 I 4.9533 8.3673 118.1280 62.2946 38.2691 174.7692 86 D 4.2772 8.6560 118.0006 54.1944 41.9729 178.4642 87 R 3.7695 8.2214 126.4744 58.9994 31.3479 176.3595 88 N 4.8185 8.7388 115.6486 53.2389 38.1181 177.0813 89 G 3.9385 7.8764 105.7321 46.0778 0.0000 174.6360 90 K 4.4725 7.9494 119.6089 56.3943 35.3659 175.4797 91 E 5.1253 8.6049 117.7766 55.3473 33.6380 175.7108 92 V 4.8847 8.2848 119.0889 62.3378 35.3708 172.1423 93 L 4.9475 9.5641 129.2592 53.5497 43.2195 175.6778 94 K 4.9739 8.7435 124.1391 55.2065 33.6020 176.1796 95 T 5.1392 8.8491 114.1955 60.7482 72.7892 172.6204 96 M 5.2154 8.8197 121.8543 53.3942 36.1638 174.4891 97 W 5.6321 7.9272 117.0183 53.8512 32.7873 173.6556 98 L 5.0670 8.3942 118.1124 53.1152 45.2175 175.5630 99 L 4.8134 9.4408 127.3194 53.5397 43.1185 174.8603 100 R 4.7917 8.4319 128.2391 55.5428 31.3953 175.2774 101 S 4.7581 8.5122 122.6558 56.8353 64.9994 173.9225 102 S 4.3053 8.1226 117.7245 58.2131 63.0712 173.7691 103 V 4.4160 8.1136 120.0292 59.4313 33.9680 176.3858 104 N 4.1918 8.7089 122.1056 56.3002 38.8458 174.0939 105 D 4.7492 7.7326 114.2265 52.2735 45.2217 175.4322 106 I 3.6367 8.5971 122.0271 64.1803 37.8947 177.2539 107 G 4.1186 7.9226 105.2494 45.9523 0.0000 173.1714 108 D 5.1545 7.9273 118.5512 53.9407 42.0940 176.9136 109 D 4.4251 8.0209 121.1022 56.5599 41.4619 178.1409 110 W 4.3752 8.4006 115.5276 58.6600 27.7717 176.5671 111 K 3.8833 6.9034 115.2197 56.0864 32.2736 176.5458 112 A 4.0868 7.9998 125.4447 54.6310 19.0543 178.1048 113 T 4.9229 7.5818 111.7549 62.7018 69.8997 174.9280 114 R 4.9026 8.7911 124.4500 54.2590 33.7163 175.0445 115 V 4.3728 7.9707 121.3430 60.1152 34.2416 174.7789 116 G 3.3613 6.2185 109.0520 45.4518 0.0000 171.5375 117 I 5.0969 7.9864 112.1984 59.3269 40.9111 174.7018 118 N 5.3159 9.3799 119.4502 52.2788 43.8929 174.0213 119 I 5.4320 10.0193 123.0922 58.7699 40.5824 174.3633 120 F 5.2222 9.1537 126.4966 57.0156 41.0875 175.5505 121 T 5.2641 9.3387 113.3442 60.8251 72.0770 172.6965 122 R 4.7898 8.7364 119.3033 54.9066 33.3203 176.5782 123 L 4.2630 7.5125 118.9504 55.1818 42.6839 176.7997 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 4 C 8.40 5.49 0.00 2.98 3.35 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 5 S 8.41 4.59 0.00 3.92 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.44 4.21 0.00 1.00 0.71 -0.39 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.60 4.40 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 1.15 0.00 0.00 8 G 7.31 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.85 4.81 0.00 1.71 1.50 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 W 10.03 5.73 0.00 3.14 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 11 T 8.80 5.20 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 1.29 0.00 0.00 12 N 8.98 5.49 0.00 2.27 1.42 0.00 0.00 6.62 7.81 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 13 D 8.65 4.67 0.00 2.82 2.84 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 14 L 8.95 4.34 0.00 1.84 1.80 1.06 0.18 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 15 G 7.82 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 16 S 8.03 4.76 0.00 3.93 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 0.00 17 N 8.36 5.59 0.00 2.68 2.75 0.00 0.00 6.47 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 18 M 7.94 4.43 0.00 1.34 1.63 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 19 T 8.18 4.87 4.19 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 1.14 0.00 0.00 20 I 8.38 4.54 1.84 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.21 0.37 0.00 0.00 21 G 8.29 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.42 4.04 1.24 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 23 V 7.63 4.14 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 0.76 0.00 0.00 1.14 0.00 0.00 24 N 8.26 4.36 0.00 2.89 2.95 0.00 0.00 6.95 7.49 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 25 S 8.65 4.21 0.00 4.00 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 26 R 8.26 4.07 0.00 1.95 2.05 0.00 3.31 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 27 G 9.27 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.23 3.85 0.00 2.15 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 2.35 2.29 0.00 29 F 7.64 5.09 0.00 2.88 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 30 T 8.22 5.21 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 1.30 0.00 0.00 31 G 7.78 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 32 T 8.33 5.28 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 33 Y 9.03 4.84 0.00 2.94 2.74 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 34 T 8.42 5.05 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 35 T 9.28 5.22 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 1.16 0.00 0.00 36 A 8.76 4.69 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 37 V 7.56 4.54 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 0.72 0.00 0.00 0.92 0.00 0.00 38 T 7.50 4.04 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 39 A 8.54 4.48 1.20 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 0.00 0.00 40 T 8.59 3.83 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 1.20 0.00 0.00 *42 N 8.89 4.77 0.00 2.94 2.48 0.00 0.00 6.63 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 43 E 8.44 4.62 0.00 1.81 1.69 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 0.00 2.07 2.12 0.00 44 I 7.58 3.72 1.79 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 0.58 0.92 0.00 0.00 45 K 8.21 4.54 0.00 1.18 1.73 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.60 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.21 1.11 7.81 46 E 8.22 5.36 0.00 2.12 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 2.38 2.26 0.00 47 S 8.47 4.94 0.00 3.67 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 48 P 0.00 5.04 0.00 2.07 2.18 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 49 L 8.70 5.08 0.00 1.86 1.69 0.94 0.41 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 50 H 8.79 5.35 0.00 3.02 3.10 0.00 5.57 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.00 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 0.00 0.00 0.00 52 T 7.14 4.17 4.10 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 1.20 0.00 0.00 53 E 8.62 5.05 0.00 2.29 1.97 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 2.32 2.36 0.00 54 N 8.72 4.65 0.00 2.79 2.77 0.00 0.00 7.23 7.70 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 55 T 8.67 3.96 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 1.24 0.00 0.00 56 I 7.58 3.66 2.00 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 1.42 0.81 0.91 0.00 0.00 57 N 8.83 4.41 0.00 2.84 3.14 0.00 0.00 7.42 7.61 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 58 K 7.45 3.96 0.00 1.86 1.94 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.51 7.81 59 R 7.53 4.50 0.00 1.76 1.76 0.00 3.20 0.00 0.00 3.37 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 60 T 8.27 4.75 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 61 Q 8.01 4.71 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.14 0.00 62 P 0.00 4.82 0.00 2.24 2.18 0.00 3.69 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 2.13 2.10 0.00 63 T 8.25 4.93 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 1.16 0.00 0.00 64 F 8.76 5.47 0.00 3.47 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 65 G 9.19 4.59 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 0.00 0.00 0.00 66 F 8.70 5.51 0.00 3.27 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 67 T 9.13 5.00 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 1.23 0.00 0.00 68 V 8.67 3.85 1.57 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 -0.55 0.00 0.00 1.03 0.00 0.00 69 N 7.95 4.63 0.00 2.58 2.62 0.00 0.00 7.30 7.81 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 70 W 7.92 4.40 0.00 3.09 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.66 4.11 0.00 2.04 2.06 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.50 7.81 72 F 8.65 4.32 0.00 3.22 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 73 S 8.81 4.43 0.00 4.09 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 74 E 8.20 4.41 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 75 S 7.37 5.61 0.00 3.93 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 76 T 7.70 4.26 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 1.17 0.00 0.00 77 T 8.43 5.09 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 0.68 0.00 0.00 78 V 8.13 4.86 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 0.83 0.00 0.00 0.93 0.00 0.00 79 F 9.17 5.11 0.00 1.51 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 80 T 8.44 4.65 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 1.11 0.00 0.00 81 G 7.21 4.05 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 0.00 0.00 0.00 82 Q 8.30 5.04 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.93 0.00 0.00 0.00 0.00 0.00 1.57 2.09 0.00 83 C 9.21 4.51 0.00 3.13 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 84 F 8.93 4.98 0.00 3.27 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 85 I 8.37 4.95 1.96 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 1.37 1.44 1.04 0.00 0.00 86 D 8.66 4.28 0.00 2.73 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 87 R 8.22 3.77 0.00 1.94 1.89 0.00 3.24 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 88 N 8.74 4.82 0.00 2.93 2.82 0.00 0.00 6.70 7.74 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 89 G 7.88 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 90 K 7.95 4.47 0.00 1.88 2.03 0.00 1.30 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.50 7.81 91 E 8.60 5.13 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 92 V 8.28 4.88 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.05 0.00 0.00 93 L 9.56 4.95 0.00 1.94 1.85 -0.18 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.74 4.97 0.00 1.89 1.75 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 0.96 7.81 95 T 8.85 5.14 4.54 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 96 M 8.82 5.22 0.00 1.74 1.84 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 97 W 7.93 5.63 0.00 2.83 2.34 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 98 L 8.39 5.07 0.00 1.58 1.59 0.90 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.44 4.81 0.00 1.57 1.75 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.43 4.79 0.00 1.93 1.78 0.00 3.15 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 101 S 8.51 4.76 0.00 3.72 3.69 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 0.00 0.00 0.00 0.00 102 S 8.12 4.31 0.00 4.16 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 0.00 103 V 8.11 4.42 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 0.75 0.00 0.00 0.95 0.00 0.00 104 N 8.71 4.19 0.00 2.70 2.91 0.00 0.00 6.74 8.06 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 0.00 105 D 7.73 4.75 0.00 2.81 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 0.00 0.00 0.00 106 I 8.60 3.64 1.89 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 1.38 1.20 0.93 0.00 0.00 107 G 7.92 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 0.00 108 D 7.93 5.15 0.00 2.79 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 0.00 109 D 8.02 4.43 0.00 3.05 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 0.00 110 W 8.40 4.38 0.00 3.61 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 0.00 111 K 6.90 3.88 0.00 0.85 0.74 0.00 1.06 0.00 0.00 0.98 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.42 0.84 7.81 112 A 8.00 4.09 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 0.00 113 T 7.58 4.92 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 1.22 0.00 0.00 114 R 8.79 4.90 0.00 2.07 2.04 0.00 3.16 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 1.57 1.55 0.00 115 V 7.97 4.37 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.69 0.00 0.00 116 G 6.22 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 5.10 1.87 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 1.30 0.61 0.77 0.00 0.00 118 N 9.38 5.32 0.00 3.24 2.88 0.00 0.00 7.02 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 0.00 119 I 10.02 5.43 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.40 1.03 0.00 0.00 120 F 9.15 5.22 0.00 2.89 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 T 9.34 5.26 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 122 R 8.74 4.79 0.00 1.51 1.59 0.00 2.87 0.00 0.00 2.82 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.62 0.00 123 L 7.51 4.26 0.00 1.44 1.43 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.