NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7639 8.3544 109.7362 45.3550 0.0000 172.5159 *2 S 4.1884 8.3313 112.9469 58.5473 63.0553 174.7843 3 V 4.2032 8.1576 117.6257 60.6801 31.9125 176.0228 4 K 3.8107 7.7859 122.5435 56.4754 32.1785 176.4694 5 V 3.7465 8.4792 126.9310 62.8353 32.0712 175.6346 6 S 4.8832 8.3474 121.9436 56.5343 66.8476 175.2557 7 V 3.6419 8.1980 121.8599 65.7650 31.2913 177.8438 8 D 4.3433 8.0808 117.7005 57.6817 41.1988 177.9503 9 D 4.6371 8.0489 118.8271 57.2189 40.7118 178.7925 10 I 3.5749 7.7441 120.5394 64.5969 37.1492 178.2382 11 D 4.4160 8.3065 119.7579 57.0838 40.5228 179.1257 12 G 3.7302 8.2141 106.4647 47.8455 0.0000 175.9829 13 I 3.4747 7.5044 122.3087 64.2565 36.9773 178.5268 14 T 3.7722 7.9589 116.8291 66.5627 68.2564 176.2518 15 E 3.8887 8.2079 121.3157 59.2773 29.6144 179.3084 16 V 3.6106 7.5587 118.9496 64.7781 31.2361 178.3014 17 L 3.7711 7.7053 118.8141 57.5539 41.4595 178.9487 18 N 4.4672 8.1133 115.9723 56.0833 38.5769 177.2048 19 V 3.7718 7.6253 119.8282 65.9806 31.5225 176.8791 20 Y 4.3892 7.6038 117.3081 58.4669 38.8670 176.6776 *22 N 4.5301 8.2073 117.6163 52.5710 40.9291 176.5769 23 A 4.1071 7.6186 119.7922 54.6081 18.3856 179.4725 24 A 3.4661 7.6637 119.5986 54.8346 17.9673 179.2644 25 E 4.0179 7.6292 116.3246 58.3820 30.1018 177.1437 26 S 4.5087 7.9698 109.4099 57.5921 66.0413 173.0913 27 G 4.1951 7.9335 109.4055 43.7766 0.0000 171.9753 28 T 4.5191 8.0215 109.7539 59.6021 70.7408 175.0168 29 G 3.9388 8.9873 110.0556 48.2100 0.0000 175.1226 30 E 3.9772 8.0988 118.8954 59.1263 29.8417 177.6417 31 E 4.2088 7.8875 118.5438 56.7347 29.1177 178.4526 *33 S 4.6914 8.3978 112.3478 57.8410 64.6859 174.9279 34 A 4.0904 7.8917 123.5720 54.2658 18.4322 178.0143 35 A 4.3584 8.0935 117.4370 52.2028 19.5276 176.5393 36 F 5.3823 7.5647 114.1153 55.2877 42.2095 175.0039 37 H 4.5061 9.2414 123.6406 55.6407 30.2906 176.7347 38 K 4.1411 8.4023 123.8265 59.3409 32.4399 177.1567 39 D 4.9718 8.0917 118.3189 53.7061 41.4864 175.9943 40 A 5.3002 8.2484 120.6542 51.9996 19.5016 177.4377 41 T 4.9210 8.3430 108.0260 60.3116 73.2921 172.5406 42 I 5.6048 8.2172 120.8888 60.0777 42.0025 173.3718 43 F 5.1737 8.7027 126.6444 55.4147 43.3933 174.0975 44 G 3.1415 7.9429 107.7577 45.7528 0.0000 171.6775 45 Y 4.9203 8.2337 120.9026 56.7255 39.1529 175.9165 46 V 4.2042 8.8663 124.1828 61.9415 32.4227 176.1151 47 G 4.1759 8.2754 119.8936 46.3820 0.0000 171.9594 48 D 4.6338 8.7896 123.4018 52.3264 39.6464 175.2199 49 K 4.5806 7.6519 120.4836 55.2279 33.6960 175.8707 50 L 4.4226 8.2837 128.5922 53.3517 40.4139 175.6579 51 A 3.8486 8.0460 125.2223 53.4521 19.2640 178.0758 52 F 4.5743 8.0820 115.0560 55.7607 40.7567 175.4822 53 N 4.5854 8.8520 125.5170 51.0191 37.1823 173.3021 54 G 3.1022 6.3050 111.5016 45.0521 0.0000 172.2107 55 P 4.2972 0.0000 0.0000 62.2021 32.3918 177.4529 56 I 3.6388 8.3900 125.3692 63.4236 37.9602 178.2000 57 K 4.1391 7.8318 123.8775 59.8972 31.6820 183.9540 58 D 4.6608 7.9222 117.3980 57.2248 40.6888 178.4964 59 L 4.1883 7.4787 120.9306 58.2396 41.5669 178.5355 60 Y 4.5034 7.3160 116.2335 61.3907 37.8412 177.9399 61 D 4.5113 8.3330 119.8779 57.0552 40.7982 178.7233 62 W 4.2018 8.3897 128.6509 60.7946 30.9248 177.6708 63 H 3.8568 8.8522 118.0301 58.9109 29.0271 176.9497 64 N 4.3832 7.8874 117.4481 55.9219 38.5054 177.4027 65 S 4.2084 7.5543 115.6559 61.6732 63.1710 175.9837 66 N 4.2897 7.6553 118.6597 53.7177 38.7434 175.9635 67 G 3.8910 7.1975 104.0806 43.9973 0.0000 171.0672 68 P 4.1354 0.0000 0.0000 62.6005 31.9191 177.6205 69 A 4.3589 8.4579 129.4545 50.7364 17.3010 178.3624 70 K 4.0094 8.2151 122.9335 56.9336 32.1215 177.7966 71 N 4.8519 7.8555 112.5141 52.9175 39.0528 175.3762 72 V 4.4258 7.3028 118.7875 61.5380 32.4610 175.9109 73 Q 4.5711 9.3435 121.7263 54.5055 31.7045 174.4393 74 S 5.4386 8.7823 119.9651 56.7646 65.9599 174.0791 75 R 4.7440 8.9907 122.0077 54.4147 34.1478 174.7002 76 I 4.6299 8.5537 124.5938 61.6319 37.6649 175.8222 77 T 4.6693 8.7022 114.2198 61.1659 70.4461 173.4208 78 N 4.7089 7.7197 119.5502 52.9131 42.6332 172.9595 79 I 4.7637 8.4218 126.0715 59.7940 40.3982 174.5115 80 D 4.7595 9.2399 129.3056 52.7304 42.4530 174.6735 81 I 4.7396 8.2073 126.8731 59.5451 39.5693 176.7812 82 V 4.2716 8.6687 125.8267 60.6006 33.7051 177.9219 83 G 3.9967 9.3187 120.5926 47.0463 0.0000 172.4975 84 T 4.1498 9.0276 115.9608 61.4619 70.7121 174.6531 85 V 5.7707 7.8616 114.7948 59.1887 36.5253 173.8176 86 A 4.9285 8.2610 120.7659 51.8297 22.4376 174.5691 87 H 5.5226 9.0880 118.7637 54.5090 33.2650 172.5292 88 A 5.6935 8.5216 124.1077 49.4568 23.1395 174.8532 89 R 5.1629 8.5331 119.2945 54.5514 33.8681 174.3368 90 V 5.0810 9.0460 124.6269 61.2821 35.3922 173.6494 91 E 5.3724 9.4774 126.8274 54.6030 32.1209 174.7396 92 A 5.4659 9.2420 125.8376 50.2789 22.4894 174.7707 93 E 4.8345 8.9020 119.9919 54.8648 34.2346 175.5805 94 N 4.3782 8.7948 119.6032 54.5076 37.5725 174.4586 95 W 4.3549 8.4347 128.2818 57.6280 29.6417 175.2266 96 T 3.2642 9.2294 118.7600 62.3053 67.0483 173.0949 97 N 4.2361 8.2625 114.4445 54.6598 39.0224 172.9299 98 F 5.0583 7.6703 115.5839 56.1483 41.8273 174.4713 99 K 5.0320 8.3406 123.1282 54.7775 34.3871 174.6280 100 F 5.6533 9.2620 125.9297 55.8852 42.8577 174.3242 101 S 5.4175 9.2623 118.6259 57.1660 65.1550 172.6883 102 D 5.2267 9.3254 125.6725 52.4211 43.2523 175.3631 103 L 5.0580 8.5637 123.4410 52.9016 44.7870 175.6006 104 F 5.4772 9.2232 121.4361 55.6484 43.3603 173.8882 105 L 5.3698 8.9185 120.9342 53.0704 44.8900 175.6144 106 L 5.4497 9.1745 122.7329 52.8794 45.8255 175.1288 107 L 5.0836 8.9760 123.8574 53.3905 45.0807 175.6315 108 K 3.8564 8.4335 128.1793 54.7943 30.9516 174.0942 109 L 4.0253 8.4943 125.4718 54.2424 41.9080 176.5936 110 D 4.6214 9.3335 128.9020 55.4739 37.9423 175.4494 111 G 3.7966 8.2576 108.1870 45.7272 0.0000 173.8952 112 K 4.5998 7.3301 123.3909 52.7902 34.3820 181.5571 113 W 4.7717 8.7981 125.6376 56.4222 29.9947 175.6183 114 T 4.6896 8.9799 116.7630 60.8225 71.0939 172.5625 115 I 4.3220 8.5908 129.4007 61.6171 37.7443 176.8570 116 V 4.3248 8.9766 120.2520 62.1865 34.0614 175.7874 117 N 5.5345 8.1603 115.9319 51.4200 43.1622 173.6515 118 K 5.0869 8.8028 121.9733 55.2032 36.1394 175.3138 119 V 5.3313 8.9052 119.3321 58.6539 36.0396 174.3813 120 F 5.4268 8.0196 115.9181 55.8704 41.2717 172.8477 121 H 4.8488 9.2945 119.9521 54.2547 32.4835 172.1561 122 L 4.7937 8.5849 128.2962 54.9583 42.5775 175.8791 123 H 4.6231 8.7279 123.8815 55.1182 29.8997 175.5694 124 A 4.1739 8.4967 123.1192 52.5885 18.4022 177.5299 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 G 8.35 3.76 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 0.00 0.00 0.00 *2 S 8.33 4.19 0.00 3.88 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 3 V 8.16 4.20 2.12 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 0.81 0.00 0.00 0.95 0.00 0.00 4 K 7.79 3.81 0.00 1.75 1.77 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.41 7.81 5 V 8.48 3.75 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 0.87 0.00 0.00 0.97 0.00 0.00 6 S 8.35 4.88 0.00 4.09 3.97 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 7 V 8.20 3.64 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 1.06 0.00 0.00 0.93 0.00 0.00 8 D 8.08 4.34 0.00 2.86 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 9 D 8.05 4.64 0.00 2.81 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 10 I 7.74 3.57 1.99 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 1.46 0.81 0.86 0.00 0.00 11 D 8.31 4.42 0.00 2.92 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 12 G 8.21 3.73 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 0.00 0.00 0.00 13 I 7.50 3.47 1.67 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 -0.36 0.60 0.00 0.00 14 T 7.96 3.77 4.34 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 1.17 0.00 0.00 15 E 8.21 3.89 0.00 2.17 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 0.00 2.30 2.31 0.00 16 V 7.56 3.61 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 0.79 0.00 0.00 0.82 0.00 0.00 17 L 7.71 3.77 0.00 1.71 1.66 0.76 0.30 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 18 N 8.11 4.47 0.00 2.86 2.86 0.00 0.00 6.98 8.45 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 19 V 7.63 3.77 2.27 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 1.01 0.00 0.00 0.97 0.00 0.00 20 Y 7.60 4.39 0.00 2.91 2.92 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 *22 N 8.21 4.53 0.00 2.91 2.84 0.00 0.00 6.92 8.14 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 23 A 7.62 4.11 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.66 3.47 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.63 4.02 0.00 1.77 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 2.17 2.39 0.00 26 S 7.97 4.51 0.00 3.93 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 27 G 7.93 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 0.00 0.00 0.00 0.00 28 T 8.02 4.52 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 29 G 8.99 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 30 E 8.10 3.98 0.00 1.93 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 2.29 2.33 0.00 31 E 7.89 4.21 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 2.32 2.24 0.00 *33 S 8.40 4.69 0.00 3.50 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 A 7.89 4.09 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 35 A 8.09 4.36 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 36 F 7.56 5.38 0.00 3.19 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 37 H 9.24 4.51 0.00 3.23 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.40 4.14 0.00 1.92 1.92 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.48 7.81 39 D 8.09 4.97 0.00 2.83 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 40 A 8.25 5.30 1.52 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 0.00 0.00 41 T 8.34 4.92 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 1.29 0.00 0.00 42 I 8.22 5.60 1.68 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.65 0.77 0.00 0.00 43 F 8.70 5.17 0.00 2.88 2.69 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 44 G 7.94 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 0.00 0.00 0.00 45 Y 8.23 4.92 0.00 2.78 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.87 4.20 2.11 0.00 0.00 0.00 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 1.02 0.00 0.00 47 G 8.28 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 0.00 0.00 0.00 0.00 48 D 8.79 4.63 0.00 2.68 2.63 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 49 K 7.65 4.58 0.00 1.86 1.89 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.35 7.81 50 L 8.28 4.42 0.00 1.37 1.47 0.30 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.05 3.85 1.08 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 52 F 8.08 4.57 0.00 3.10 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 53 N 8.85 4.59 0.00 2.69 2.69 0.00 0.00 6.33 7.00 0.00 0.00 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 G 6.30 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 0.00 0.00 0.00 55 P 0.00 4.30 0.00 2.23 1.97 0.00 3.41 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 56 I 8.39 3.64 1.76 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.05 0.88 0.00 0.00 57 K 7.83 4.14 0.00 1.80 1.81 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.10 7.81 58 D 7.92 4.66 0.00 2.86 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 59 L 7.48 4.19 0.00 1.48 1.25 0.78 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.32 4.50 0.00 3.11 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 61 D 8.33 4.51 0.00 2.87 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 62 W 8.39 4.20 0.00 3.65 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 63 H 8.85 3.86 0.00 3.75 3.64 0.00 5.83 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.89 4.38 0.00 2.96 2.86 0.00 0.00 7.04 7.52 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 65 S 7.55 4.21 0.00 3.84 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 66 N 7.66 4.29 0.00 1.80 1.93 0.00 0.00 7.47 8.26 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 67 G 7.20 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 68 P 0.00 4.14 0.00 1.98 2.00 0.00 3.59 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 69 A 8.46 4.36 1.02 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 0.00 0.00 70 K 8.22 4.01 0.00 1.79 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.05 7.81 71 N 7.86 4.85 0.00 2.68 2.85 0.00 0.00 6.92 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 72 V 7.30 4.43 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 0.83 0.00 0.00 0.99 0.00 0.00 73 Q 9.34 4.57 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 74 S 8.78 5.44 0.00 3.72 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 75 R 8.99 4.74 0.00 1.72 1.80 0.00 3.30 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 76 I 8.55 4.63 1.87 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 1.42 0.49 0.90 0.00 0.00 77 T 8.70 4.67 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 1.26 0.00 0.00 78 N 7.72 4.71 0.00 2.85 2.64 0.00 0.00 6.94 7.93 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 79 I 8.42 4.76 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.72 0.71 0.00 0.00 80 D 9.24 4.76 0.00 2.78 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 81 I 8.21 4.74 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 0.99 0.00 0.00 82 V 8.67 4.27 2.12 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 0.85 0.00 0.00 0.97 0.00 0.00 83 G 9.32 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 9.03 4.15 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 1.13 0.00 0.00 85 V 7.86 5.77 2.21 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 1.04 0.00 0.00 1.02 0.00 0.00 86 A 8.26 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 9.09 5.52 0.00 3.23 3.14 0.00 5.73 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 88 A 8.52 5.69 1.17 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 0.00 0.00 89 R 8.53 5.16 0.00 1.89 1.77 0.00 3.19 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 90 V 9.05 5.08 2.56 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 1.30 0.00 0.00 1.21 0.00 0.00 91 E 9.48 5.37 0.00 1.98 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 2.32 2.44 0.00 92 A 9.24 5.47 1.71 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 0.00 0.00 93 E 8.90 4.83 0.00 1.94 1.84 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 2.25 2.28 0.00 94 N 8.79 4.38 0.00 2.90 3.01 0.00 0.00 6.82 7.95 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 95 W 8.43 4.35 0.00 3.86 3.49 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 96 T 9.23 3.26 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 1.36 0.00 0.00 97 N 8.26 4.24 0.00 2.71 2.58 0.00 0.00 6.94 6.91 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 98 F 7.67 5.06 0.00 3.00 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 0.00 0.00 0.00 0.00 99 K 8.34 5.03 0.00 1.80 1.62 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.43 7.81 100 F 9.26 5.65 0.00 3.14 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 0.00 101 S 9.26 5.42 0.00 3.95 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 0.00 102 D 9.33 5.23 0.00 2.82 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 0.00 0.00 0.00 103 L 8.56 5.06 0.00 1.45 1.55 0.90 0.84 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 0.00 104 F 9.22 5.48 0.00 2.85 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 0.00 105 L 8.92 5.37 0.00 1.77 1.62 1.01 0.42 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 0.00 106 L 9.17 5.45 0.00 1.64 1.81 0.85 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.98 5.08 0.00 1.79 1.52 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.43 3.86 0.00 0.79 1.01 0.00 1.20 0.00 0.00 1.23 0.00 0.00 2.75 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.75 0.21 7.81 109 L 8.49 4.03 0.00 1.80 1.54 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 110 D 9.33 4.62 0.00 2.81 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 0.00 111 G 8.26 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 0.00 0.00 0.00 112 K 7.33 4.60 0.00 1.44 1.67 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.25 7.81 113 W 8.80 4.77 0.00 3.14 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 0.00 114 T 8.98 4.69 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 0.00 115 I 8.59 4.32 1.43 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.22 1.19 0.00 0.00 116 V 8.98 4.32 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 0.73 0.00 0.00 1.07 0.00 0.00 117 N 8.16 5.53 0.00 2.71 2.72 0.00 0.00 6.54 7.39 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 0.00 118 K 8.80 5.09 0.00 2.02 1.62 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.67 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.09 0.80 7.81 119 V 8.91 5.33 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 0.97 0.00 0.00 0.86 0.00 0.00 120 F 8.02 5.43 0.00 2.95 2.81 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 0.00 121 H 9.29 4.85 0.00 3.23 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.58 4.79 0.00 1.88 1.57 0.39 0.94 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 0.00 123 H 8.73 4.62 0.00 3.10 3.26 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.50 4.17 1.25 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.