NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 H 4.7465 8.4444 117.3815 57.2872 29.8294 172.0466 3 M 4.7701 7.8221 114.4871 55.1827 33.2100 174.1752 4 S 4.5306 7.2960 119.4272 56.8189 67.3486 173.9636 5 D 4.3353 8.6024 120.0839 57.8841 40.6577 178.2982 6 L 4.0637 7.8271 118.6632 57.4372 41.7186 179.4763 7 V 3.6435 7.8710 118.5964 66.2897 31.4979 178.2346 8 T 3.6518 7.7512 109.5373 64.5055 68.1608 176.3728 9 K 4.0113 7.7926 120.4839 59.2194 32.4240 178.4535 10 F 4.3809 8.3659 120.8198 61.6647 39.3276 176.9514 11 E 3.5359 8.1422 118.0950 59.2469 29.1580 179.4361 12 S 2.7900 7.9859 114.3167 60.6441 62.3749 176.3066 13 L 4.3688 7.2359 123.4499 56.2542 40.9659 178.9221 14 I 3.4216 7.0990 120.1695 63.6756 37.1287 177.2050 15 I 4.3265 7.0801 111.0843 60.4308 38.8105 175.2379 16 S 4.6037 6.8807 114.3154 56.6120 65.4691 174.4246 17 K 3.9506 8.3109 122.5980 58.1373 32.8602 176.3009 18 Y 4.6630 7.8253 119.1274 55.4326 38.3441 173.7288 19 P 4.3927 0.0000 0.0000 62.5740 32.1254 176.0481 20 V 4.4697 8.4378 121.1906 61.0853 34.4721 175.3363 21 S 4.4924 8.5948 122.5052 57.7336 63.6484 174.0865 22 F 4.6540 8.1469 121.2848 58.7084 39.4103 176.1311 23 T 4.5013 8.4117 119.9965 61.5108 69.8799 176.5798 24 K 4.0709 8.4533 127.6675 59.6346 31.5673 177.8113 25 E 4.1240 8.0789 118.3811 59.4175 29.6021 179.1325 26 Q 3.8196 7.8600 118.6418 58.6821 28.7059 178.8339 27 S 4.3402 8.1455 115.8470 61.4040 62.8481 176.5824 28 A 3.9566 7.9205 123.3630 55.3122 18.1887 179.4591 29 Q 3.8829 8.2717 116.4747 59.2151 28.8557 179.3383 30 A 4.1583 8.4518 121.6487 55.2552 18.4812 179.4005 31 A 4.0338 8.4741 119.6927 55.4488 18.3959 179.9940 32 Q 3.7601 8.0314 116.3570 58.9024 28.7898 178.7779 33 W 4.3553 7.9256 122.3717 60.5906 29.1273 178.9574 34 E 4.1763 8.4563 118.1266 61.3308 29.1036 181.3114 35 S 4.3499 8.0208 115.8965 61.5815 62.8707 177.2437 36 V 3.6658 7.6892 116.3800 63.7302 31.2627 178.5709 37 L 4.1022 8.6103 121.5725 58.5304 41.3269 180.3712 38 K 4.0629 8.3454 122.7277 59.5547 31.7313 180.1515 39 S 4.7380 8.3496 113.2742 57.5459 63.2482 174.4244 40 G 3.6509 8.0308 110.1469 47.7549 0.0000 174.4531 41 Q 4.7019 8.3920 115.6129 55.3624 29.7686 177.3364 42 I 3.9887 7.9427 122.2409 64.6045 37.7014 178.0686 43 Q 3.9796 8.3737 120.8009 58.7571 28.7514 176.5024 44 P 4.4799 0.0000 0.0000 65.0690 31.4647 176.6836 45 H 4.8376 7.9339 115.3539 55.6900 28.8937 176.3229 46 L 4.0817 8.0275 123.8617 58.1552 41.4618 179.1488 47 D 4.4709 8.2271 118.2820 57.5009 40.7492 178.4999 48 Q 4.0575 8.1646 119.6436 58.9519 29.0598 177.8216 49 L 4.0192 8.3873 121.7866 58.0738 42.1201 178.3687 50 N 4.3051 8.5114 117.2795 56.6349 38.5480 176.5784 51 L 3.9151 7.9843 121.6444 58.0736 42.2394 178.7796 52 V 3.5068 8.0687 118.5700 66.3532 31.2521 177.9619 53 L 4.4029 7.7590 117.5654 56.1420 41.4745 178.7853 54 R 3.6833 7.5623 118.8052 58.8238 30.0512 176.6198 55 D 4.8038 7.3593 114.2611 53.8267 42.5130 175.8521 56 N 4.9732 7.8521 117.3400 51.2688 41.6889 175.4734 57 T 3.4786 8.5930 119.7955 65.8945 68.9733 174.1173 58 F 5.0487 7.2831 117.5039 54.9775 42.6879 175.8471 59 I 3.4285 8.9845 122.4489 63.5682 37.6725 176.8184 60 V 4.1714 7.6220 117.4144 62.2134 31.5116 175.0920 61 S 3.6818 7.6832 111.0954 59.6457 60.2764 171.4389 62 T 4.5519 7.6318 108.3665 59.8271 71.1130 174.0710 63 L 4.5254 8.4675 119.8912 55.6837 42.0660 176.4836 64 Y 4.7791 7.0548 115.7422 54.1224 40.9725 172.9157 65 P 3.5986 0.0000 0.0000 62.5519 32.1070 176.2140 66 T 4.7858 8.7621 112.1666 59.6545 72.6847 175.5109 67 S 4.1413 9.3233 116.0668 61.6408 62.7388 176.7342 68 T 3.9762 7.9951 119.1715 66.6740 68.1877 175.8141 69 D 4.6660 8.0066 120.3051 57.5993 40.9143 179.2746 70 V 3.6475 7.5693 118.2000 66.3412 31.6669 177.7772 71 H 4.3603 8.5661 116.3925 59.0417 28.5765 178.0275 72 V 3.8020 8.1363 120.0447 65.9250 31.2754 177.7263 73 F 4.3050 8.8919 120.8231 61.4728 38.9737 176.7688 74 E 3.6868 8.3419 117.7207 58.6413 29.5429 178.2791 75 V 3.8945 7.3477 116.4569 65.0619 31.8975 177.8182 76 A 3.9693 8.6601 120.9588 54.7267 18.1106 179.2050 77 L 3.7152 7.8993 119.6129 57.8441 42.0888 177.4840 78 P 4.1592 0.0000 0.0000 65.8427 31.0037 178.2768 79 L 3.9338 7.4401 118.2637 57.7195 41.4552 179.4951 80 I 3.6018 7.9461 119.9964 64.0321 36.9298 178.3510 81 K 3.8638 8.2243 119.7382 59.7359 31.8911 178.4504 82 D 4.3478 8.1769 117.9358 57.6259 40.8357 178.5360 83 L 3.9977 7.6801 117.9632 57.7251 41.9488 179.4238 84 V 3.7392 8.1922 118.2780 65.9569 31.3084 177.9688 85 A 4.0494 8.1485 119.8827 54.9082 18.3621 178.8891 86 S 4.4184 8.0838 109.8059 57.7784 63.8768 174.5334 87 S 4.2074 7.1613 117.4484 58.7690 62.5642 174.2890 88 K 4.1076 8.5057 125.2645 58.0092 32.4604 177.3038 89 D 4.2585 8.0266 117.5691 52.3453 43.5345 175.5900 90 V 3.3351 8.1511 128.0553 65.6793 31.6268 177.3717 91 K 3.7263 7.8949 118.8940 59.7407 32.1044 178.6305 92 S 4.1964 8.5460 116.8962 61.2816 62.5162 176.9423 93 T 3.9542 7.5197 118.4527 66.8586 68.0146 176.3466 94 Y 4.5504 7.7846 117.7584 61.5557 37.7325 178.7740 95 T 4.0787 8.2859 110.3514 64.7439 68.6663 176.6380 96 T 3.9323 7.5144 117.6097 65.0889 68.8676 174.2733 97 Y 4.9282 7.6093 119.0351 56.5680 39.5083 177.6897 98 R 3.8832 8.4705 120.9910 60.3126 30.0688 176.6960 99 H 4.3675 7.7985 114.9281 58.7124 28.9251 177.3884 100 I 3.8922 7.9781 121.2112 64.7655 36.9236 178.1886 101 L 4.0860 8.4806 119.8834 57.7681 41.4375 179.4794 102 R 3.9193 8.1702 118.6759 59.3084 30.0212 178.4470 103 W 4.2382 8.4240 128.1167 60.4038 30.6785 177.9978 104 I 3.5616 8.7002 120.2120 64.3587 36.4619 177.6101 105 D 4.2999 8.2797 118.8813 57.6289 40.9269 177.5785 106 Y 3.8492 7.9309 119.6361 61.2955 38.7971 178.2730 107 M 3.7712 8.1877 119.9801 57.9054 31.7687 178.7569 108 Q 3.9191 8.0705 118.2064 58.8798 28.7580 178.2000 109 N 4.2163 7.6808 118.9103 55.6299 38.3559 177.0361 110 L 3.7004 7.5595 121.7099 58.0987 42.1136 177.7884 111 L 4.1535 7.6927 114.7095 54.1660 42.2177 176.5768 112 E 3.6880 7.4216 118.0060 57.2089 27.3360 175.4934 113 V 3.7692 7.8834 117.7789 62.3336 33.0649 176.3214 114 S 4.2597 8.5451 121.0162 58.7111 64.4839 175.4844 115 S 4.1302 8.7712 119.8250 62.5470 62.5804 177.1439 116 T 4.0958 7.7455 116.9652 66.4087 68.5163 176.0480 117 D 4.5621 8.0032 119.3277 54.7977 41.4154 177.2356 118 K 4.2793 7.1126 118.1791 55.9414 33.5286 176.3910 119 L 4.1965 8.6943 123.3845 54.4286 42.0543 176.2254 120 E 4.3195 8.7522 126.8429 55.5805 30.3425 176.7204 121 I 3.9296 8.2544 116.3197 60.8723 37.7719 175.3138 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 H 8.44 4.75 0.00 2.95 2.98 0.00 7.27 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 M 7.82 4.77 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.84 0.00 4 S 7.30 4.53 0.00 4.09 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 5 D 8.60 4.34 0.00 2.83 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 6 L 7.83 4.06 0.00 1.72 1.68 0.91 0.84 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 7 V 7.87 3.64 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 1.09 0.00 0.00 0.93 0.00 0.00 8 T 7.75 3.65 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 9 K 7.79 4.01 0.00 2.04 1.95 0.00 1.89 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.61 7.81 10 F 8.37 4.38 0.00 3.11 3.30 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 11 E 8.14 3.54 0.00 2.19 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 0.00 2.27 2.51 0.00 12 S 7.99 2.79 0.00 3.75 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 13 L 7.24 4.37 0.00 1.54 1.59 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.10 3.42 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.23 0.89 0.00 0.00 15 I 7.08 4.33 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 1.08 0.00 0.00 16 S 6.88 4.60 0.00 3.87 3.66 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 17 K 8.31 3.95 0.00 1.62 1.67 0.00 1.32 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.49 0.26 7.81 18 Y 7.83 4.66 0.00 2.98 2.89 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 19 P 0.00 4.39 0.00 2.21 2.08 0.00 3.85 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 2.05 1.99 0.00 20 V 8.44 4.47 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 1.06 0.00 0.00 21 S 8.59 4.49 0.00 3.99 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 22 F 8.15 4.65 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 4.50 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 1.33 0.00 0.00 24 K 8.45 4.07 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.07 7.81 25 E 8.08 4.12 0.00 2.18 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 0.00 2.34 2.44 0.00 26 Q 7.86 3.82 0.00 1.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 27 S 8.15 4.34 0.00 4.07 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 28 A 7.92 3.96 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 29 Q 8.27 3.88 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 30 A 8.45 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.47 4.03 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 32 Q 8.03 3.76 0.00 1.83 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 33 W 7.93 4.36 0.00 3.51 3.30 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 34 E 8.46 4.18 0.00 1.99 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 2.25 2.23 0.00 35 S 8.02 4.35 0.00 4.03 3.90 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 0.00 0.00 0.00 36 V 7.69 3.67 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 0.44 0.00 0.00 1.20 0.00 0.00 37 L 8.61 4.10 0.00 1.92 1.78 1.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.35 4.06 0.00 1.80 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.32 7.81 39 S 8.35 4.74 0.00 4.06 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 0.00 40 G 8.03 3.65 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 0.00 41 Q 8.39 4.70 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.48 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 42 I 7.94 3.99 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.35 0.98 0.00 0.00 43 Q 8.37 3.98 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 44 P 0.00 4.48 0.00 2.23 2.18 0.00 3.88 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 2.23 2.10 0.00 45 H 7.93 4.84 0.00 3.60 3.59 0.00 5.82 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.03 4.08 0.00 1.84 1.83 0.79 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.23 4.47 0.00 2.74 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 48 Q 8.16 4.06 0.00 2.17 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 49 L 8.39 4.02 0.00 1.88 1.85 -0.13 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.51 4.31 0.00 3.10 3.07 0.00 0.00 6.88 7.50 0.00 0.00 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 L 7.98 3.92 0.00 1.85 1.85 0.91 0.95 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 52 V 8.07 3.51 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 0.95 0.00 0.00 1.17 0.00 0.00 53 L 7.76 4.40 0.00 1.62 1.62 0.05 0.44 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 54 R 7.56 3.68 0.00 1.71 1.99 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.30 0.00 55 D 7.36 4.80 0.00 2.48 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 56 N 7.85 4.97 0.00 2.75 2.72 0.00 0.00 6.88 7.08 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 57 T 8.59 3.48 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 0.07 0.00 0.00 58 F 7.28 5.05 0.00 3.01 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 59 I 8.98 3.43 1.44 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 0.49 0.00 0.87 0.00 0.00 60 V 7.62 4.17 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 0.47 0.00 0.00 0.96 0.00 0.00 61 S 7.68 3.68 0.00 4.17 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 62 T 7.63 4.55 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 1.12 0.00 0.00 63 L 8.47 4.53 0.00 1.90 1.92 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.05 4.78 0.00 2.88 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 65 P 0.00 3.60 0.00 1.99 1.52 0.00 3.59 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 66 T 8.76 4.79 4.48 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 0.96 0.00 0.00 67 S 9.32 4.14 0.00 3.95 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 0.00 68 T 8.00 3.98 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 1.33 0.00 0.00 69 D 8.01 4.67 0.00 2.97 2.99 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 70 V 7.57 3.65 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 1.09 0.00 0.00 0.95 0.00 0.00 71 H 8.57 4.36 0.00 3.31 3.40 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.14 3.80 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 0.81 0.00 0.00 0.88 0.00 0.00 73 F 8.89 4.31 0.00 2.73 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 74 E 8.34 3.69 0.00 2.27 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 0.00 2.30 2.30 0.00 75 V 7.35 3.89 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 0.99 0.00 0.00 0.96 0.00 0.00 76 A 8.66 3.97 1.49 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 0.00 0.00 77 L 7.90 3.72 0.00 0.83 1.09 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.16 0.00 2.25 2.24 0.00 3.66 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 2.19 1.98 0.00 79 L 7.44 3.93 0.00 1.95 1.69 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.95 3.60 1.84 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.97 0.92 0.00 0.00 81 K 8.22 3.86 0.00 1.93 1.87 0.00 1.80 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.65 7.81 82 D 8.18 4.35 0.00 2.69 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 83 L 7.68 4.00 0.00 1.80 1.78 0.71 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.19 3.74 2.28 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 1.10 0.00 0.00 1.16 0.00 0.00 85 A 8.15 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.08 4.42 0.00 4.02 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 87 S 7.16 4.21 0.00 4.04 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 88 K 8.51 4.11 0.00 1.78 1.83 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.36 7.81 89 D 8.03 4.26 0.00 2.64 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 90 V 8.15 3.34 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 0.40 0.00 0.00 0.83 0.00 0.00 91 K 7.89 3.73 0.00 1.82 1.90 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.58 7.81 92 S 8.55 4.20 0.00 4.02 3.87 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 0.00 0.00 0.00 93 T 7.52 3.95 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 1.44 0.00 0.00 94 Y 7.78 4.55 0.00 3.09 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 95 T 8.29 4.08 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 1.32 0.00 0.00 96 T 7.51 3.93 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 0.42 0.00 0.00 97 Y 7.61 4.93 0.00 3.12 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 98 R 8.47 3.88 0.00 1.72 1.50 0.00 3.14 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 99 H 7.80 4.37 0.00 3.38 3.43 0.00 5.70 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 0.00 100 I 7.98 3.89 2.20 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.80 1.11 0.00 0.00 101 L 8.48 4.09 0.00 1.97 1.70 0.88 0.70 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 0.00 102 R 8.17 3.92 0.00 1.95 2.19 0.00 3.09 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 103 W 8.42 4.24 0.00 3.41 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.70 3.56 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.01 1.03 0.00 0.00 105 D 8.28 4.30 0.00 2.99 2.85 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 0.00 106 Y 7.93 3.85 0.00 3.16 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 0.00 107 M 8.19 3.77 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.77 0.00 108 Q 8.07 3.92 0.00 2.34 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.59 2.37 0.00 109 N 7.68 4.22 0.00 2.81 2.70 0.00 0.00 6.49 6.59 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 0.00 110 L 7.56 3.70 0.00 1.19 1.60 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.69 4.15 0.00 1.64 1.65 0.81 0.83 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 0.00 112 E 7.42 3.69 0.00 1.97 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 2.21 2.25 0.00 113 V 7.88 3.77 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 0.83 0.00 0.00 1.08 0.00 0.00 114 S 8.55 4.26 0.00 4.08 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 0.00 115 S 8.77 4.13 0.00 3.85 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 0.00 116 T 7.75 4.10 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 0.00 117 D 8.00 4.56 0.00 2.65 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 0.00 118 K 7.11 4.28 0.00 2.12 1.96 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.38 7.81 119 L 8.69 4.20 0.00 1.64 1.65 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.75 4.32 0.00 2.02 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 0.00 2.30 2.30 0.00 121 I 8.25 3.93 1.70 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.48 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.