NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5313 8.1627 120.3614 55.9702 34.5290 177.3185 2 M 3.9527 8.0999 117.6094 57.9181 32.1816 176.1646 3 D 4.3824 8.3636 117.9832 57.3780 41.8309 176.9971 4 Y 4.1461 7.9561 119.6090 60.7509 38.9581 177.8489 5 L 3.7155 8.2807 120.1327 57.6502 41.4833 179.4122 6 I 3.6973 7.5132 118.8581 64.3130 37.2630 177.7771 7 T 4.4333 7.4180 106.8594 61.5866 69.5342 174.7729 8 Q 4.4330 7.5967 121.2683 55.7070 29.5355 174.5214 9 N 4.0980 8.2436 111.8352 54.9230 37.5891 174.9722 10 G 3.8679 8.3781 102.6632 44.8180 0.0000 175.4482 11 G 3.9686 8.0934 108.3992 48.2993 0.0000 175.1280 12 M 4.0797 8.1380 119.6473 58.6928 32.0538 178.4476 13 V 3.5306 7.5858 112.2031 64.4739 31.5423 178.5467 14 F 4.3436 7.8416 116.7911 60.4642 38.7450 177.6570 15 A 4.0981 8.1455 120.0809 54.8918 18.1728 179.8043 16 V 3.5031 7.9815 117.1008 66.0323 31.6768 177.8105 17 L 3.9753 8.1558 120.0386 58.2068 41.7583 178.7714 18 A 4.2210 8.2804 122.1218 55.0381 18.3845 179.4638 19 M 3.9841 8.1051 116.8847 58.4640 31.9515 178.9222 20 A 3.9963 8.2343 121.1053 55.2303 18.4575 179.6678 21 T 4.0194 8.5371 108.4838 65.1406 68.8644 176.2746 22 A 4.0938 8.3085 124.4379 54.9657 18.3766 179.8182 23 T 3.9459 7.9739 113.9725 66.9351 68.5769 176.9949 24 I 3.5261 7.9621 121.9401 64.6221 37.2621 178.6921 25 F 4.1598 7.8058 118.2061 60.3336 38.7341 178.1217 26 S 4.3213 7.8976 113.6400 61.3465 62.8841 176.8053 27 G 3.6014 8.2961 109.4697 47.5123 0.0000 175.6938 28 I 3.7686 8.1904 122.8172 63.9580 37.0927 178.6410 29 G 3.6480 7.9178 106.0282 48.0275 0.0000 175.9539 30 S 4.5134 8.3635 119.1270 60.6157 62.8185 176.4245 31 A 3.9539 8.5211 123.7743 55.2409 18.0356 179.9206 32 K 3.9970 8.3319 116.9848 59.4899 32.1971 179.9097 33 G 3.5607 8.1693 105.9438 47.9564 0.0000 175.8780 34 V 3.9729 7.9668 123.1888 64.7918 31.4208 178.3131 35 G 3.5363 8.2571 105.7025 48.0768 0.0000 175.2906 36 M 4.2070 8.6651 121.9035 58.5867 32.1712 178.5233 37 T 4.0657 8.2211 115.9361 66.3476 68.5368 177.0714 38 G 3.6099 8.4046 108.1172 47.7249 0.0000 175.6547 39 E 3.9865 8.2902 120.6767 59.2457 29.5253 179.3429 40 A 4.0150 7.8950 120.5569 54.9842 18.4223 179.5681 41 A 3.9583 8.3461 119.3721 55.2304 18.2380 179.7193 42 A 3.9713 8.2907 118.5330 55.1840 18.6095 179.3769 43 A 4.0854 8.0698 119.3280 55.2102 18.4522 179.5290 44 L 3.9235 8.0158 118.8011 58.7740 40.7250 179.3756 45 T 4.1699 8.0638 115.3311 66.1777 68.0928 176.6623 46 T 4.1167 7.6778 111.6869 63.7512 68.7690 175.1209 47 S 4.6444 7.4995 112.6696 58.6339 65.3937 174.3699 48 Q 4.7697 8.6286 119.1346 52.0722 28.7046 173.9940 49 P 4.4463 0.0000 0.0000 64.6212 32.1626 178.7904 50 E 4.2218 8.2430 116.6268 57.8134 29.7831 177.7120 51 K 4.6023 7.8487 119.2424 56.4729 32.8458 177.6699 52 F 4.3196 8.2625 123.7792 61.5843 39.1711 177.2747 53 G 3.5400 8.2134 104.5567 48.1464 0.0000 175.3974 54 Q 3.9535 7.9661 119.7804 58.2539 28.8266 178.3270 55 A 3.9188 8.1464 122.1632 55.1130 18.5356 179.4514 56 L 3.6928 8.0102 119.0429 58.1274 41.8325 179.0529 57 I 3.5953 7.2677 118.6799 64.5291 37.2393 177.9808 58 L 4.0963 7.8379 119.6019 57.8993 41.4613 179.4193 59 Q 3.9658 8.0920 119.4286 58.9798 29.0095 177.8243 60 L 4.2742 7.7523 118.6039 55.9678 41.5685 178.9898 61 L 3.9421 7.2595 119.1762 57.5771 41.7262 176.6645 62 P 5.4377 0.0000 0.0000 62.4938 30.5359 177.7224 63 G 3.8968 8.0657 106.4099 45.7716 0.0000 176.2033 64 T 3.8471 7.6949 111.7620 64.0525 69.2120 176.4989 65 Q 4.3344 8.3041 121.0216 59.3214 28.7949 179.3497 66 G 3.6752 8.5192 106.6807 47.6492 0.0000 175.8105 67 L 3.9788 7.1593 118.0154 57.8123 41.5994 179.0410 68 Y 4.2454 8.0374 117.1717 61.0714 37.7172 179.0623 69 G 4.0706 8.2530 107.6494 47.2697 0.0000 175.3682 70 F 4.1580 8.4189 123.3752 61.1511 39.3190 177.3365 71 V 3.7552 8.4291 117.9605 66.1043 31.3105 177.9831 72 I 3.7990 8.3658 119.3116 64.5181 37.0599 178.1799 73 A 3.9780 8.3130 121.7799 55.2658 18.1899 179.5033 74 F 3.9627 8.3962 119.4476 61.1517 39.1820 177.2110 75 L 3.9438 8.0662 119.6249 58.0065 42.1601 178.7601 76 I 3.5262 7.8885 119.9839 64.0163 37.1277 177.9029 77 F 3.9631 7.8801 121.7302 61.3306 39.0024 177.0342 78 I 3.5440 7.1019 109.6245 62.3707 37.4790 176.5688 79 N 4.7447 7.1852 117.0308 52.9093 38.8321 175.7441 80 L 3.7067 7.1360 121.3290 57.5761 42.1154 179.1973 81 G 3.7802 7.6203 106.2169 44.8257 0.0000 172.0066 82 S 4.5220 8.5568 111.0082 58.2888 64.8788 173.5611 83 D 5.1542 7.5633 118.1013 52.6093 43.7999 174.4205 84 M 4.6082 8.0262 121.1396 53.2813 35.3913 175.2831 85 S 4.4079 8.4879 121.1490 58.0558 65.4932 175.4510 86 V 3.7305 8.3049 122.3510 66.0855 31.2626 178.3419 87 V 3.4724 7.7729 117.5514 66.1461 31.3145 177.5867 88 Q 3.9075 8.0883 119.1999 59.0413 28.8090 178.2923 89 G 3.9731 8.3102 106.7266 48.1764 0.0000 175.6281 90 L 3.9068 8.3799 122.0590 57.3335 41.4995 179.2072 91 N 4.2597 8.4565 116.9222 56.4527 38.2139 177.4496 92 F 4.2922 8.0375 118.1496 60.3088 39.4326 177.0880 93 L 4.3409 8.5265 120.5204 58.2952 41.8418 179.3172 94 G 3.6378 8.6401 105.7439 47.8346 0.0000 175.3565 95 A 4.0978 8.3270 123.5751 54.8870 18.4648 179.5641 96 S 4.3309 8.0801 111.6960 60.6587 63.3723 176.7522 97 L 4.1889 7.8272 123.1233 57.3404 41.3833 177.1302 98 P 4.3508 0.0000 0.0000 65.9679 31.3341 178.4084 99 I 3.8159 8.0650 116.8398 63.8866 37.9078 177.5680 100 A 3.9370 7.9598 121.2938 55.3281 18.2073 179.3414 101 F 4.5757 8.2551 115.4397 59.7547 39.3832 178.6637 102 T 4.2316 8.3118 110.0324 64.5927 68.5818 176.8727 103 G 3.7292 8.4268 108.6484 47.6545 0.0000 174.9803 104 L 4.0104 7.9914 123.3735 58.2007 42.0909 179.2177 105 F 4.2661 8.5236 117.6505 60.4067 38.9866 178.1289 106 S 4.4393 8.6698 114.3087 61.2650 62.8731 176.8288 107 G 3.6449 8.3610 109.4203 47.5965 0.0000 175.7542 108 I 3.7187 7.6536 121.8547 64.1105 37.0383 178.4335 109 A 4.0593 8.1793 121.5370 55.2832 18.2631 179.4507 110 Q 4.0722 8.9143 118.5992 59.1911 29.0115 178.5415 111 G 3.7416 8.2935 106.8732 47.9546 0.0000 175.7849 112 K 4.0122 7.8569 120.5459 59.0212 31.9863 179.7667 113 V 3.5846 7.5886 118.4479 65.9132 31.6641 177.9084 114 A 4.0023 8.4161 120.7376 55.1861 17.9990 179.4026 115 A 3.9531 8.1007 118.0833 55.3655 18.6879 179.4465 116 A 4.1940 8.2622 119.3415 55.2054 18.4090 180.1120 117 G 3.6699 8.3343 104.3677 47.7011 0.0000 175.8116 118 I 3.7507 7.5881 121.8654 64.8074 37.1328 178.3846 119 Q 4.0195 8.0308 118.3139 58.6902 28.3830 178.7710 120 I 3.7197 7.7546 120.5713 64.3954 37.0484 177.8904 121 L 3.7808 7.7824 119.4321 58.1108 41.9067 178.5714 122 A 4.1389 8.1078 120.0989 54.7996 18.4325 178.9232 123 K 4.3503 7.9618 114.8577 56.9348 34.6380 177.4661 124 K 4.7317 8.6554 117.9767 53.7896 32.7278 175.1224 125 P 4.4327 0.0000 0.0000 65.8218 31.7272 178.8553 126 E 4.1811 8.1554 116.0100 58.0439 29.7745 176.7321 127 H 4.8054 8.4998 116.2285 55.3149 29.6512 175.7490 128 A 4.0292 7.9281 124.8547 55.7772 17.9345 180.5200 129 T 3.7994 7.9640 113.6144 66.8469 68.4508 176.5190 130 K 3.7167 8.1185 120.4353 59.2397 32.0212 179.5238 131 G 3.7137 7.8832 105.4237 47.8063 0.0000 175.6374 132 I 3.6889 7.6948 121.8525 64.2645 36.9030 178.4002 133 I 3.6508 7.7117 120.4003 64.3027 36.6796 178.3428 134 F 4.5520 7.6081 117.1222 60.8419 39.0558 177.3454 135 A 4.2092 8.1989 119.9539 55.1487 18.0172 179.4850 136 A 4.0976 8.2825 118.2248 55.0519 18.4421 179.3672 137 M 4.2113 7.6763 116.5770 57.6812 32.7332 177.5771 138 V 4.0748 7.6780 120.4283 63.0976 31.3303 177.6756 *140 T 4.0511 7.9282 117.6061 63.7348 70.5994 176.5439 141 Y 4.1244 7.2284 118.1715 60.5252 37.8187 178.0116 142 A 4.1171 8.0332 121.6698 54.9787 18.5043 179.4684 143 I 3.1832 7.5483 117.8364 64.4146 37.2656 178.3977 144 L 4.0773 8.0848 119.9495 57.7539 41.3833 179.8125 145 G 3.9062 8.1033 106.9379 47.1764 0.0000 175.2944 146 F 4.2089 8.7347 123.6280 61.0401 39.2768 177.3073 147 V 3.3793 8.1094 117.9762 66.0796 31.3613 177.9820 148 I 3.6974 7.8090 119.3981 64.5030 36.8932 178.5656 149 S 4.3507 8.2704 117.5128 60.9211 62.7343 176.3776 150 F 3.7258 8.4576 123.5046 61.3684 38.8970 177.1541 151 L 4.0642 8.2400 118.6138 57.9011 41.1825 179.6320 152 L 3.9621 7.8110 117.9516 57.4858 41.8445 179.2827 153 V 3.8048 8.0936 118.7002 66.1542 31.2863 178.2066 154 L 3.9664 7.4733 117.0836 57.0531 41.4895 178.0028 155 N 4.5625 7.3801 114.2887 53.5234 39.2025 174.5464 156 A 3.7854 7.2196 126.9886 53.0370 18.2428 177.2308 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 1 M 8.16 4.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 2 M 8.10 3.95 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.36 4.38 0.00 2.80 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 4 Y 7.96 4.15 0.00 3.10 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 5 L 8.28 3.72 0.00 1.81 1.73 0.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.51 3.70 2.05 0.00 0.00 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 1.60 0.62 0.91 0.00 0.00 7 T 7.42 4.43 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 1.21 0.00 0.00 8 Q 7.60 4.43 0.00 1.28 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.51 0.00 9 N 8.24 4.10 0.00 2.78 2.79 0.00 0.00 7.16 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 10 G 8.38 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 0.00 0.00 0.00 11 G 8.09 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 0.00 0.00 0.00 12 M 8.14 4.08 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.67 0.00 13 V 7.59 3.53 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 0.63 0.00 0.00 0.20 0.00 0.00 14 F 7.84 4.34 0.00 3.34 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 15 A 8.15 4.10 1.27 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 0.00 0.00 16 V 7.98 3.50 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 0.99 0.00 0.00 0.99 0.00 0.00 17 L 8.16 3.98 0.00 1.98 2.01 1.01 1.15 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 18 A 8.28 4.22 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 19 M 8.11 3.98 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.71 0.00 20 A 8.23 4.00 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 21 T 8.54 4.02 4.47 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 1.50 0.00 0.00 22 A 8.31 4.09 1.51 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 0.00 0.00 0.00 23 T 7.97 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 1.30 0.00 0.00 24 I 7.96 3.53 1.47 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 1.35 0.61 0.19 0.00 0.00 25 F 7.81 4.16 0.00 2.78 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 26 S 7.90 4.32 0.00 4.43 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 0.00 27 G 8.30 3.60 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 0.00 28 I 8.19 3.77 1.96 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 1.37 0.61 0.89 0.00 0.00 29 G 7.92 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 30 S 8.36 4.51 0.00 3.88 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 31 A 8.52 3.95 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 32 K 8.33 4.00 0.00 1.89 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.54 7.81 33 G 8.17 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 0.00 0.00 0.00 34 V 7.97 3.97 2.16 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 1.18 0.00 0.00 0.92 0.00 0.00 35 G 8.26 3.54 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 0.00 0.00 0.00 36 M 8.67 4.21 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.22 4.07 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 1.25 0.00 0.00 38 G 8.40 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 0.00 0.00 0.00 39 E 8.29 3.99 0.00 2.25 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 0.00 2.34 2.52 0.00 40 A 7.90 4.02 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 41 A 8.35 3.96 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 42 A 8.29 3.97 1.36 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 43 A 8.07 4.09 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 44 L 8.02 3.92 0.00 1.81 1.89 0.94 0.65 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 45 T 8.06 4.17 4.43 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 1.24 0.00 0.00 46 T 7.68 4.12 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 1.25 0.00 0.00 47 S 7.50 4.64 0.00 3.94 3.98 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 48 Q 8.63 4.77 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 49 P 0.00 4.45 0.00 2.19 2.29 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 50 E 8.24 4.22 0.00 2.16 2.26 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 2.38 2.29 0.00 51 K 7.85 4.60 0.00 1.94 1.85 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.37 7.81 52 F 8.26 4.32 0.00 3.19 3.11 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 0.00 0.00 0.00 53 G 8.21 3.54 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 0.00 0.00 0.00 54 Q 7.97 3.95 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 55 A 8.15 3.92 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 56 L 8.01 3.69 0.00 0.95 1.35 0.82 0.77 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 57 I 7.27 3.60 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.86 0.00 0.00 58 L 7.84 4.10 0.00 1.87 1.71 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.09 3.97 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 60 L 7.75 4.27 0.00 1.85 1.62 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.26 3.94 0.00 1.78 1.74 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.44 0.00 2.26 2.07 0.00 4.04 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.05 0.00 63 G 8.07 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 0.00 0.00 0.00 64 T 7.69 3.85 3.60 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 1.05 0.00 0.00 65 Q 8.30 4.33 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.77 2.69 0.00 66 G 8.52 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 0.00 0.00 0.00 67 L 7.16 3.98 0.00 1.51 1.50 0.72 0.61 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 68 Y 8.04 4.25 0.00 3.23 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 69 G 8.25 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 70 F 8.42 4.16 0.00 3.25 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 71 V 8.43 3.76 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 1.56 0.00 0.00 1.16 0.00 0.00 72 I 8.37 3.80 2.20 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.89 0.99 0.00 0.00 73 A 8.31 3.98 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 74 F 8.40 3.96 0.00 2.70 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 75 L 8.07 3.94 0.00 1.88 1.88 0.83 0.73 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 76 I 7.89 3.53 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.88 0.34 0.00 0.00 77 F 7.88 3.96 0.00 3.01 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 78 I 7.10 3.54 1.67 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 1.55 0.55 0.42 0.00 0.00 79 N 7.19 4.74 0.00 2.82 2.93 0.00 0.00 6.98 7.16 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 80 L 7.14 3.71 0.00 1.37 1.51 0.77 0.43 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 81 G 7.62 3.78 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 0.00 0.00 0.00 82 S 8.56 4.52 0.00 3.93 3.93 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 0.00 0.00 0.00 0.00 83 D 7.56 5.15 0.00 2.59 2.52 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 84 M 8.03 4.61 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.61 0.00 85 S 8.49 4.41 0.00 4.09 3.98 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 86 V 8.30 3.73 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 0.95 0.00 0.00 1.12 0.00 0.00 87 V 7.77 3.47 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 0.98 0.00 0.00 0.89 0.00 0.00 88 Q 8.09 3.91 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.13 0.00 89 G 8.31 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 0.00 0.00 0.00 90 L 8.38 3.91 0.00 1.65 1.57 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.46 4.26 0.00 2.60 2.62 0.00 0.00 7.02 7.67 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 92 F 8.04 4.29 0.00 3.25 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 93 L 8.53 4.34 0.00 1.91 1.92 1.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.64 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 0.00 0.00 0.00 95 A 8.33 4.10 1.51 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 0.00 0.00 0.00 96 S 8.08 4.33 0.00 4.28 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 0.00 97 L 7.83 4.19 0.00 1.81 1.98 0.97 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.35 0.00 2.34 2.18 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 99 I 8.07 3.82 2.06 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.44 1.11 0.00 0.00 100 A 7.96 3.94 1.15 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 0.00 101 F 8.26 4.58 0.00 3.29 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 0.00 102 T 8.31 4.23 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 103 G 8.43 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 0.00 104 L 7.99 4.01 0.00 2.04 1.86 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.52 4.27 0.00 3.33 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 0.00 106 S 8.67 4.44 0.00 4.24 4.36 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 0.00 107 G 8.36 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 0.00 0.00 0.00 108 I 7.65 3.72 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 0.95 0.00 0.00 109 A 8.18 4.06 1.47 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 0.00 0.00 110 Q 8.91 4.07 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 111 G 8.29 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 0.00 0.00 0.00 112 K 7.86 4.01 0.00 2.01 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.62 7.81 113 V 7.59 3.58 2.25 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 1.11 0.00 0.00 1.03 0.00 0.00 114 A 8.42 4.00 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 0.00 115 A 8.10 3.95 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 0.00 116 A 8.26 4.19 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 0.00 117 G 8.33 3.67 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 0.00 0.00 0.00 118 I 7.59 3.75 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.97 0.95 0.00 0.00 119 Q 8.03 4.02 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 120 I 7.75 3.72 2.08 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 1.61 0.99 0.96 0.00 0.00 121 L 7.78 3.78 0.00 1.64 1.95 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.11 4.14 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 0.00 123 K 7.96 4.35 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.62 7.81 124 K 8.66 4.73 0.00 1.81 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.49 7.81 125 P 0.00 4.43 0.00 2.22 2.43 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 126 E 8.16 4.18 0.00 1.90 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 0.00 2.29 2.32 0.00 127 H 8.50 4.81 0.00 3.27 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.93 4.03 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 0.00 129 T 7.96 3.80 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 1.15 0.00 0.00 130 K 8.12 3.72 0.00 1.88 1.51 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.39 7.81 131 G 7.88 3.71 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 0.00 132 I 7.69 3.69 2.00 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 1.61 0.61 0.88 0.00 0.00 133 I 7.71 3.65 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.81 0.00 0.00 134 F 7.61 4.55 0.00 3.21 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 0.00 135 A 8.20 4.21 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 0.00 136 A 8.28 4.10 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 0.00 137 M 7.68 4.21 0.00 2.09 2.37 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 3.03 0.00 138 V 7.68 4.07 2.18 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 1.17 0.00 0.00 1.03 0.00 0.00 *140 T 7.93 4.05 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 0.77 0.00 0.00 141 Y 7.23 4.12 0.00 3.21 3.13 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 0.00 142 A 8.03 4.12 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 0.00 143 I 7.55 3.18 1.88 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 1.50 0.87 0.82 0.00 0.00 144 L 8.08 4.08 0.00 1.89 1.76 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.10 3.91 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 0.00 0.00 0.00 146 F 8.73 4.21 0.00 2.82 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 0.00 147 V 8.11 3.38 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 1.04 0.00 0.00 0.96 0.00 0.00 148 I 7.81 3.70 1.90 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 1.74 1.06 0.93 0.00 0.00 149 S 8.27 4.35 0.00 4.08 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 0.00 150 F 8.46 3.73 0.00 2.56 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 0.00 151 L 8.24 4.06 0.00 1.89 1.72 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.81 3.96 0.00 1.81 1.69 0.93 0.66 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 0.00 153 V 8.09 3.80 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 1.11 0.00 0.00 1.01 0.00 0.00 154 L 7.47 3.97 0.00 1.74 1.65 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.38 4.56 0.00 2.75 2.73 0.00 0.00 7.17 7.84 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 0.00 156 A 7.22 3.79 0.12 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 * Residues marked with a * may have inaccurate shift predictions.