NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *10 C 4.6015 8.3293 117.6236 57.0152 30.1767 173.1517 11 P 4.4780 0.0000 0.0000 64.0813 32.5334 173.9417 12 L 5.1379 7.9051 121.5993 53.1894 45.0932 176.6476 13 M 4.9078 9.4443 125.7542 53.6902 36.0418 173.7411 14 V 4.8082 8.3645 125.1368 60.9053 34.4705 173.9474 15 K 4.9548 9.0667 129.0509 54.5359 35.2799 174.6774 16 V 4.8070 8.9527 126.9946 61.1294 34.4241 174.2385 17 L 5.1243 8.8875 127.1736 52.9318 45.7447 174.8002 18 D 5.2324 9.0411 120.9222 52.7875 42.6763 176.4510 19 A 4.3469 9.3576 128.3746 53.4701 18.6903 178.4894 20 V 3.8822 8.7033 115.3355 64.8735 31.9156 177.0597 21 R 4.3713 8.4418 116.0761 55.3562 31.3453 175.8177 22 G 3.8409 8.3697 105.7282 46.1420 0.0000 172.5029 23 S 4.8623 7.5437 112.0060 55.4427 67.4362 171.9813 24 P 4.5790 0.0000 0.0000 63.1230 31.7785 176.0896 25 A 4.3893 8.5384 124.5409 51.0194 19.0351 176.6875 26 I 4.2538 8.3752 122.4846 61.4454 38.9133 175.8892 27 N 4.3011 8.5247 122.0268 54.2921 36.4159 174.2623 28 V 4.0190 7.9602 119.1399 62.0576 32.8869 175.1185 29 A 4.4885 8.5923 129.9469 51.9945 19.9008 176.1237 30 V 4.6967 8.7724 121.6979 61.3838 34.9743 173.8011 31 H 5.1881 9.1655 124.9321 53.9124 31.6313 173.2629 32 V 4.9044 8.6079 122.9627 61.1794 34.3166 174.3383 33 F 5.5281 9.6500 124.8572 55.7535 43.5799 173.6601 34 R 4.8883 9.1727 121.0458 53.9968 33.0270 174.6307 35 K 3.7954 8.7127 128.2840 56.4476 32.6422 176.5197 36 A 4.3464 9.1590 131.2691 50.5297 20.2088 177.7552 37 A 3.9123 8.5095 122.5713 55.5469 18.3215 178.6878 38 D 4.5150 7.9437 111.7175 53.4405 39.2997 176.0330 39 D 4.1583 8.1726 119.9121 56.4269 38.9579 174.4554 40 T 4.3088 7.9601 113.7317 60.3105 70.6672 177.5737 41 W 4.9038 8.6283 124.6143 56.9267 29.8064 176.4844 42 E 4.6338 9.3383 124.9425 54.7132 30.7709 170.9096 43 P 4.1967 0.0000 0.0000 62.8590 31.2994 175.3965 44 F 4.8513 8.9144 126.6490 59.5620 41.5770 174.7876 45 A 4.4607 7.5084 117.5167 51.6702 22.3420 174.9384 46 S 4.7418 7.8504 111.5558 58.0756 65.6155 174.6543 47 G 3.9949 7.7997 107.1346 46.2646 0.0000 171.9334 48 K 5.2870 8.4859 118.0952 54.2713 35.9051 177.1079 49 T 4.1967 8.6672 114.5796 61.9358 70.2326 174.8686 50 S 4.7679 8.6911 118.5335 57.3600 64.9692 174.5364 51 E 3.9540 8.6905 118.9055 58.9452 29.1224 177.9758 52 S 4.4406 7.8950 111.6641 57.6825 63.6573 174.9775 53 G 3.8501 8.4981 110.0307 45.8647 0.0000 172.6392 54 E 5.0974 7.7632 118.1744 54.1146 33.2677 174.9594 55 L 4.7927 8.7522 124.1471 53.9802 44.7811 175.1364 56 H 4.8907 8.9089 122.8364 54.4645 31.8868 174.5475 57 G 3.8608 8.6996 105.3077 46.5854 0.0000 175.1757 58 L 3.9817 7.8737 121.8036 57.4106 41.8028 176.5201 59 T 4.3630 7.2366 110.3561 61.5028 70.3554 171.4376 60 T 4.7052 7.9147 111.4998 59.0709 71.4528 174.7713 61 E 4.1049 8.9546 122.8448 59.3937 29.7005 177.9957 62 E 4.2414 8.1889 115.3009 59.0986 30.0977 177.8051 63 E 4.2435 8.1451 118.1617 58.6179 30.0247 177.4368 64 F 5.0608 8.1335 122.6209 57.2073 37.6301 174.9681 65 V 4.0249 7.6580 117.4641 59.4876 33.0121 175.7053 66 E 4.3495 7.9694 120.9405 55.2712 29.7283 176.7426 67 G 3.6986 7.6682 112.0287 45.8014 0.0000 170.2051 68 I 4.7071 7.0686 119.4684 59.7518 39.2021 174.9270 69 Y 5.1427 8.6443 124.7752 55.8797 41.5581 174.5632 70 K 4.7430 9.1199 123.6634 54.5694 35.2084 174.7807 71 V 4.6822 9.3057 128.3365 61.4496 33.3772 173.7989 72 E 4.8956 9.5928 130.5627 54.6669 31.6250 174.3591 73 I 4.5541 9.0006 129.0660 59.6189 38.8733 175.8107 74 D 4.9670 8.7193 129.2173 53.5360 37.8818 176.6319 75 T 3.8992 7.7053 114.6040 64.0725 69.3250 176.6478 76 K 4.1274 8.0852 122.0585 59.6677 32.3854 178.8135 77 S 4.1357 8.3480 115.4151 61.5532 62.4570 175.9516 78 Y 3.9009 7.4196 120.4510 60.6443 38.8299 178.1587 79 W 4.4189 8.1370 119.6289 59.7718 29.1906 178.7463 80 K 4.2856 8.8346 119.8735 58.9157 31.2374 179.2220 81 A 4.0262 7.8355 120.1042 54.3950 18.3169 178.6089 82 L 4.3806 7.6448 115.3904 54.4290 41.9374 177.3865 83 G 3.9227 8.1033 107.1839 45.7590 0.0000 173.2584 84 I 4.3731 7.6690 119.6893 59.0858 39.3377 174.8603 85 S 4.6723 8.5672 120.0239 56.2585 61.8396 171.8669 86 P 4.3945 0.0000 0.0000 61.4256 32.7710 176.2216 87 F 3.8186 8.3284 120.9320 60.8609 39.2909 175.4370 88 H 4.6704 7.8666 115.8636 54.5005 29.7722 175.3809 89 E 3.9996 8.7300 122.7362 59.3746 29.5238 176.0959 90 H 4.6290 7.2314 111.1237 55.5683 31.0699 173.2830 91 A 4.4207 8.3781 119.6545 50.0304 21.3581 175.0972 92 E 5.1448 8.9281 121.5027 54.4530 33.0026 175.7567 93 V 4.5128 8.7925 122.4190 61.1900 34.6690 174.2312 94 V 5.0796 8.6779 127.6467 61.1064 33.8247 174.3654 95 F 5.1408 8.6271 121.4119 55.8704 41.5637 173.5945 96 T 4.7048 8.7291 117.2851 63.6330 69.3389 173.8627 97 A 4.6969 8.7782 126.7676 50.4948 22.8804 175.5891 98 N 4.7304 9.6681 115.2157 53.6585 36.6303 175.0929 99 D 4.8141 8.2756 115.2021 53.6884 40.2369 176.1402 100 S 4.6045 7.8647 115.9905 58.4924 63.8967 174.0936 101 G 3.9951 8.3627 105.3745 43.8954 0.0000 171.6911 102 P 4.4842 0.0000 0.0000 62.7889 31.9197 175.8098 103 R 4.8028 7.9939 118.9888 54.8154 34.8549 174.3751 104 R 4.7998 9.0586 120.1029 55.0552 32.3874 175.0508 105 Y 5.0928 9.4095 121.8740 56.4631 40.9322 174.7042 106 T 4.9962 9.0150 121.2867 61.8958 71.3827 173.2835 107 I 4.6459 9.0060 128.3395 59.8579 38.9183 174.5265 108 A 5.2535 8.8984 129.5700 50.0391 21.8128 175.0842 109 A 5.1551 9.0613 122.8100 50.0883 22.9285 174.5828 110 L 4.9949 9.2651 125.0424 53.2984 44.4569 174.9780 111 L 5.3791 9.0338 126.5198 53.3726 44.6512 175.7879 112 S 5.1116 9.5070 118.1140 56.1511 67.2876 173.2974 113 P 3.1418 0.0000 0.0000 65.2215 31.0952 177.7031 114 Y 4.5516 7.7717 111.9838 57.2153 38.5717 175.0040 115 S 4.7451 7.9973 113.7707 57.3859 65.7304 172.6643 116 Y 5.5176 7.8217 123.2199 55.6556 41.3928 173.9669 117 S 4.7360 9.0951 114.6617 56.9022 65.8638 172.5974 118 T 5.2448 8.6118 120.0791 60.7737 70.5573 172.3016 119 T 4.8499 8.9217 120.2419 60.4271 71.6849 171.9300 120 A 5.1545 8.5480 125.8603 49.9929 21.9055 175.7824 121 V 4.2738 8.7617 121.6439 61.0036 34.1256 174.4889 122 V 4.7180 8.4066 127.7327 61.2750 33.6745 174.3418 123 T 4.7122 8.3851 117.0600 59.3977 73.0013 174.0641 124 N 4.4744 8.5604 117.8362 53.6790 38.6225 175.3689 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 *10 C 8.33 4.60 0.00 2.69 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 11 P 0.00 4.48 0.00 2.46 2.54 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 12 L 7.91 5.14 0.00 0.83 1.17 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.44 4.91 0.00 1.94 1.77 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.53 0.00 14 V 8.36 4.81 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 0.91 0.00 0.00 0.89 0.00 0.00 15 K 9.07 4.95 0.00 1.76 1.55 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.30 7.81 16 V 8.95 4.81 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 0.76 0.00 0.00 0.81 0.00 0.00 17 L 8.89 5.12 0.00 1.60 1.52 0.93 0.98 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 18 D 9.04 5.23 0.00 2.67 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 19 A 9.36 4.35 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 20 V 8.70 3.88 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 0.92 0.00 0.00 1.01 0.00 0.00 21 R 8.44 4.37 0.00 1.94 2.03 0.00 3.44 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 22 G 8.37 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 23 S 7.54 4.86 0.00 3.87 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 24 P 0.00 4.58 0.00 2.11 2.21 0.00 3.76 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 2.07 1.98 0.00 25 A 8.54 4.39 0.65 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 0.00 0.00 26 I 8.38 4.25 1.91 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 1.49 0.63 0.96 0.00 0.00 27 N 8.52 4.30 0.00 2.93 2.97 0.00 0.00 6.93 7.73 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 28 V 7.96 4.02 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 0.81 0.00 0.00 0.49 0.00 0.00 29 A 8.59 4.49 1.22 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 0.00 0.00 30 V 8.77 4.70 1.99 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 0.92 0.00 0.00 0.90 0.00 0.00 31 H 9.17 5.19 0.00 3.22 2.83 0.00 5.81 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 32 V 8.61 4.90 2.20 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 1.13 0.00 0.00 0.93 0.00 0.00 33 F 9.65 5.53 0.00 2.85 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 34 R 9.17 4.89 0.00 1.37 1.67 0.00 2.72 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 35 K 8.71 3.80 0.00 1.04 1.25 0.00 0.89 0.00 0.00 1.26 0.00 0.00 2.51 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.92 0.25 7.81 36 A 9.16 4.35 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 37 A 8.51 3.91 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 38 D 7.94 4.52 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 39 D 8.17 4.16 0.00 2.96 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 40 T 7.96 4.31 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 41 W 8.63 4.90 0.00 2.99 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 42 E 9.34 4.63 0.00 1.64 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 2.21 2.16 0.00 43 P 0.00 4.20 0.00 1.97 2.04 0.00 3.76 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 44 F 8.91 4.85 0.00 3.02 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 45 A 7.51 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.85 4.74 0.00 3.67 3.68 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 47 G 7.80 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 48 K 8.49 5.29 0.00 1.55 1.63 0.00 1.73 0.00 0.00 1.95 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.35 7.81 49 T 8.67 4.20 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 1.16 0.00 0.00 50 S 8.69 4.77 0.00 4.01 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 51 E 8.69 3.95 0.00 2.23 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 0.00 2.31 1.87 0.00 52 S 7.90 4.44 0.00 4.01 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 53 G 8.50 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 54 E 7.76 5.10 0.00 1.94 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 2.25 2.43 0.00 55 L 8.75 4.79 0.00 1.63 1.53 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.91 4.89 0.00 3.01 3.17 0.00 5.82 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 57 G 8.70 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.87 3.98 0.00 1.53 1.65 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.24 4.36 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 0.81 0.00 0.00 60 T 7.91 4.71 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 1.29 0.00 0.00 61 E 8.95 4.10 0.00 2.28 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 2.29 1.88 0.00 62 E 8.19 4.24 0.00 2.17 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 0.00 2.33 2.31 0.00 63 E 8.15 4.24 0.00 2.27 2.20 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 2.39 2.29 0.00 64 F 8.13 5.06 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 65 V 7.66 4.02 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 0.87 0.00 0.00 1.01 0.00 0.00 66 E 7.97 4.35 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 67 G 7.67 3.70 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 0.00 0.00 0.00 68 I 7.07 4.71 1.69 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 1.30 0.67 1.03 0.00 0.00 69 Y 8.64 5.14 0.00 1.94 2.53 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 0.00 0.00 0.00 0.00 70 K 9.12 4.74 0.00 0.79 0.83 0.00 0.76 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 0.96 7.81 71 V 9.31 4.68 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 0.97 0.00 0.00 1.20 0.00 0.00 72 E 9.59 4.90 0.00 2.06 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 0.00 2.18 2.08 0.00 73 I 9.00 4.55 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.44 0.78 0.00 0.00 74 D 8.72 4.97 0.00 2.82 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 75 T 7.71 3.90 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 1.15 0.00 0.00 76 K 8.09 4.13 0.00 2.17 1.90 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.58 7.81 77 S 8.35 4.14 0.00 4.10 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 78 Y 7.42 3.90 0.00 2.73 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 79 W 8.14 4.42 0.00 3.53 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 80 K 8.83 4.29 0.00 1.89 1.90 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.53 7.81 81 A 7.84 4.03 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 82 L 7.64 4.38 0.00 1.84 1.74 0.38 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.10 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 84 I 7.67 4.37 2.25 0.00 0.00 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 1.34 0.90 0.82 0.00 0.00 85 S 8.57 4.67 0.00 3.85 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 86 P 0.00 4.39 0.00 2.26 1.99 0.00 3.85 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 87 F 8.33 3.82 0.00 1.68 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 88 H 7.87 4.67 0.00 3.30 3.47 0.00 5.95 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.73 4.00 0.00 1.76 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 2.18 2.15 0.00 90 H 7.23 4.63 0.00 3.21 3.26 0.00 5.08 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 91 A 8.38 4.42 0.28 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 92 E 8.93 5.14 0.00 1.85 1.79 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 2.05 2.15 0.00 93 V 8.79 4.51 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 1.03 0.00 0.00 0.99 0.00 0.00 94 V 8.68 5.08 2.19 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 1.08 0.00 0.00 0.86 0.00 0.00 95 F 8.63 5.14 0.00 3.20 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 96 T 8.73 4.70 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 1.30 0.00 0.00 97 A 8.78 4.70 0.60 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 0.00 0.00 98 N 9.67 4.73 0.00 2.74 2.84 0.00 0.00 6.91 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 99 D 8.28 4.81 0.00 2.79 2.78 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 0.00 0.00 0.00 0.00 100 S 7.86 4.60 0.00 3.84 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 0.00 101 G 8.36 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 0.00 102 P 0.00 4.48 0.00 2.24 2.11 0.00 3.73 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 2.00 2.01 0.00 103 R 7.99 4.80 0.00 1.29 1.35 0.00 3.15 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 104 R 9.06 4.80 0.00 1.75 1.83 0.00 3.19 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 105 Y 9.41 5.09 0.00 3.06 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 0.00 106 T 9.02 5.00 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 0.00 107 I 9.01 4.65 1.83 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.97 0.88 0.00 0.00 108 A 8.90 5.25 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 0.00 109 A 9.06 5.16 1.18 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 0.00 110 L 9.27 4.99 0.00 1.76 1.58 0.98 0.50 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 0.00 111 L 9.03 5.38 0.00 1.81 2.02 0.51 0.85 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 0.00 112 S 9.51 5.11 0.00 3.89 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 0.00 113 P 0.00 3.14 0.00 2.07 1.67 0.00 3.23 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.47 0.00 114 Y 7.77 4.55 0.00 2.79 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 0.00 115 S 8.00 4.75 0.00 3.88 3.70 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 0.00 116 Y 7.82 5.52 0.00 3.09 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 0.00 117 S 9.10 4.74 0.00 3.90 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 0.00 118 T 8.61 5.24 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 1.31 0.00 0.00 119 T 8.92 4.85 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 1.21 0.00 0.00 120 A 8.55 5.15 1.13 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 0.00 0.00 0.00 121 V 8.76 4.27 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 0.96 0.00 0.00 0.91 0.00 0.00 122 V 8.41 4.72 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 0.42 0.00 0.00 0.89 0.00 0.00 123 T 8.39 4.71 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 1.16 0.00 0.00 124 N 8.56 4.47 0.00 2.69 2.76 0.00 0.00 6.76 7.56 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 * Residues marked with a * may have inaccurate shift predictions.