NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 L 4.3836 8.1849 122.5049 54.8274 43.0053 176.8175 9 Q 4.1147 8.6232 125.6386 55.3537 29.5591 173.6250 10 S 4.7468 9.0498 112.9244 58.7561 67.1550 174.0284 11 Q 4.9290 7.6678 117.8002 53.9321 30.7009 175.3717 12 F 4.8864 8.6243 121.5028 55.8684 43.5146 174.4052 13 F 4.8748 9.2857 120.8340 55.5387 41.8008 176.2522 14 I 3.6220 8.6880 118.6713 64.7800 37.1068 177.0099 15 E 3.9542 8.2089 118.7300 59.5732 29.8673 178.0495 16 H 4.9329 8.5931 116.5733 58.8224 28.8760 177.7271 17 I 3.9980 7.9557 121.2256 64.5562 36.7905 178.2761 18 L 3.9971 8.0919 118.7033 57.6574 41.4589 179.0477 19 Q 4.1475 7.8777 116.3065 57.4016 28.8766 177.5326 20 I 3.6187 7.4393 119.3229 61.9515 38.5000 176.0113 21 L 4.3396 7.3741 118.5747 53.2134 42.4968 175.2941 22 P 4.4150 0.0000 0.0000 64.1199 32.1290 176.3806 23 H 4.1872 8.0383 116.2670 56.3693 29.2251 174.2611 24 R 4.7277 8.0809 120.0360 54.2367 34.4034 173.6541 25 Y 4.2535 8.6564 119.8075 57.9884 39.0688 174.6354 26 P 4.0757 0.0000 0.0000 62.8376 31.5499 175.3221 27 M 4.5344 8.4471 114.6558 55.6892 33.7529 175.8574 28 L 4.3796 7.8814 121.6398 54.2286 41.5973 175.9370 29 L 4.8298 8.4056 127.8171 54.2654 42.3933 176.7940 30 V 4.5130 7.7590 117.4849 61.4845 34.0121 174.2671 31 D 4.6901 8.4621 126.6984 55.6948 42.2840 176.6396 32 R 4.4409 7.0006 115.9381 55.1391 33.8461 173.5607 33 I 4.6897 8.3711 125.1398 59.8788 39.1748 176.3952 34 T 4.3044 8.9752 118.6490 63.2622 70.1536 175.1133 35 E 4.8885 7.8125 118.2800 54.9038 33.1509 174.1284 36 L 5.1368 8.4048 123.2256 53.8341 45.6380 174.6738 37 Q 4.5638 9.6928 126.9683 53.8986 31.6329 174.2304 38 A 4.0623 8.8677 129.1617 54.2652 18.6626 177.1996 39 N 4.6345 9.5856 118.6289 54.1166 37.1316 173.9376 40 Q 4.7076 7.5010 114.1767 55.8745 31.3928 175.5897 41 K 4.8871 8.6241 115.3518 56.6491 36.8119 173.1109 42 I 5.1080 8.7389 119.7933 59.6070 42.0780 173.6773 43 V 4.9201 9.2188 127.3279 61.3206 34.4627 174.1870 44 A 5.2401 9.0772 128.8653 51.1156 23.5836 173.3722 45 Y 4.8125 8.4155 115.2013 56.0434 42.1147 173.8519 46 K 4.9457 8.7992 121.1346 54.6361 35.4355 175.0629 47 N 4.9907 9.6611 125.6516 53.2268 39.7835 174.5848 48 I 4.5666 8.5181 123.5216 59.9233 38.6685 174.6683 49 T 4.8932 9.4172 121.8141 59.8778 70.4794 174.6915 50 F 3.9586 8.9381 127.6003 60.9818 39.7437 175.9538 51 N 4.7694 7.5526 116.9672 53.6920 38.3409 174.2774 52 E 4.7986 8.0377 116.1113 53.8128 32.7174 176.6021 53 D 4.3807 9.1063 123.0745 57.7733 40.9152 178.9407 54 V 3.4045 7.6742 118.8113 64.8344 30.8576 177.7942 55 F 4.3565 7.7302 116.1889 59.1324 38.8114 176.8723 56 N 4.6977 8.1464 116.5103 55.1392 38.2689 175.8164 57 G 4.1775 7.4189 107.0251 45.0626 0.0000 173.6059 58 H 3.7510 7.5936 117.7723 54.6590 30.8173 171.7452 59 F 5.1130 8.8479 121.5653 54.1629 43.3243 173.0853 60 P 4.4917 0.0000 0.0000 64.3973 31.2066 177.2077 61 N 4.6463 9.4732 119.5819 53.6031 37.4763 174.6741 62 K 4.5867 8.0983 119.0298 53.3876 32.1644 171.9178 63 P 5.0839 0.0000 0.0000 63.4107 32.1008 176.9810 64 I 4.9450 8.8925 126.1334 59.0915 40.0461 175.3813 65 F 4.2032 9.5902 130.9572 57.1225 40.0232 173.3199 66 P 3.7343 0.0000 0.0000 62.9687 31.8392 177.2936 67 G 2.8890 8.3949 109.7250 47.8434 0.0000 176.0834 68 V 3.8336 7.5301 114.0439 64.0854 31.5697 178.4016 69 L 4.0106 7.5745 118.7113 57.2830 41.3358 179.4686 70 I 4.1533 7.6367 119.7958 64.3550 37.0854 178.3338 71 V 3.6869 8.0004 119.1278 66.0985 31.4208 177.5136 72 E 4.1927 8.5787 119.2907 59.4943 29.4926 179.1272 73 G 3.4973 8.1082 106.9558 47.3601 0.0000 175.6944 74 M 3.6498 7.6845 120.8166 57.8219 31.9570 178.6907 75 A 3.8603 8.1850 121.2209 55.2564 18.4609 179.7294 76 Q 3.8411 7.9456 116.5329 58.9306 28.6760 179.2564 77 S 4.1329 7.7699 116.0859 61.5920 62.9435 176.8661 78 G 3.7673 8.3424 108.8247 47.7253 0.0000 175.7671 79 G 3.5365 8.3564 108.4230 47.4891 0.0000 175.4381 80 F 3.8850 8.2772 123.3870 60.7800 39.3629 176.8411 81 L 3.9669 8.1855 119.6774 58.1740 41.8844 178.5524 82 A 2.0000 7.9606 120.8539 54.4314 18.1745 179.1227 83 F 4.0095 7.9409 118.4167 61.9273 39.5205 177.5454 84 T 4.0458 7.9864 115.3231 66.8663 67.9494 176.8280 85 S 4.1426 8.0254 116.5308 61.0419 62.8260 176.4418 86 L 3.8246 7.0455 120.4586 56.5201 41.7323 177.9157 87 W 4.3013 7.7241 114.9035 55.3734 30.3245 177.6388 88 G 3.8935 7.7100 107.7732 44.7868 0.0000 173.9876 89 F 4.4544 8.7161 118.1262 56.9733 37.7427 174.0655 90 D 4.7512 7.8540 122.7154 50.5109 41.7626 174.2634 91 P 4.0410 0.0000 0.0000 65.2868 31.2754 177.7497 92 E 3.8898 8.0187 115.3558 59.4865 29.6537 179.1083 93 I 3.7222 7.9490 119.4409 64.0397 37.2440 177.9709 94 A 2.9401 7.9059 121.7296 54.8177 17.7725 179.2149 95 K 3.9329 7.6978 116.1348 58.2869 32.5319 176.9852 96 T 4.4689 8.1731 107.7547 61.7053 70.3341 173.6015 97 K 4.9523 7.4382 121.0134 55.0644 35.7016 175.3438 98 I 4.1470 8.1451 120.2372 59.9671 41.6874 173.5046 99 V 4.4578 8.0766 129.2661 62.3613 32.6423 174.5166 100 Y 5.2060 8.9726 124.2989 56.0212 41.9714 174.8489 101 F 4.7438 9.1389 121.8116 58.4399 39.1947 174.5186 102 M 4.7193 9.3172 123.3538 56.8968 33.7542 176.2472 103 T 4.8017 7.7399 106.2719 60.5274 72.8744 172.6297 104 I 5.0807 8.0189 121.8780 60.1120 40.9859 174.2992 105 D 4.6896 9.3331 125.4365 52.3991 46.0536 174.9148 106 K 3.9903 8.4364 116.0277 57.4659 29.7211 175.7953 107 V 4.1435 7.5811 117.3429 62.1559 32.6671 175.1466 108 K 4.3545 8.8016 128.9659 54.6216 35.4607 174.5293 109 F 5.2033 8.7080 126.2038 56.6659 39.4665 175.4180 110 R 4.5757 9.2137 123.8355 57.1480 31.7913 177.4843 111 I 4.7145 7.6277 117.7335 58.4468 41.0694 172.9969 112 P 4.5086 0.0000 0.0000 63.0248 32.1494 175.5426 113 V 4.6646 8.5284 122.3637 61.8159 33.7283 174.5102 114 T 5.1487 8.9398 116.6250 58.8357 72.9487 171.4114 115 P 4.4749 0.0000 0.0000 64.3608 31.5970 176.7892 116 G 4.0588 9.1093 111.2147 45.3631 0.0000 173.7434 117 D 4.5797 8.0423 119.6663 53.8886 42.5879 175.9200 118 R 4.5863 8.2844 122.0745 54.5117 31.2663 175.5215 119 L 4.2094 8.5166 130.6090 54.4100 42.8345 174.8623 120 E 4.6654 9.1351 129.4474 55.3476 31.1141 174.3210 121 Y 5.2026 9.3407 126.5576 57.2572 40.0198 174.3814 122 H 5.1808 9.6323 122.4216 54.2213 31.0517 172.6444 123 L 5.2862 8.7988 123.6144 52.8378 44.9049 175.7617 124 E 5.1296 9.1057 121.3770 54.3840 33.8760 175.2728 125 V 4.0916 9.0182 124.3661 63.1402 31.2606 175.6831 126 L 4.3862 8.8586 129.2772 56.6636 42.8735 177.5160 127 K 4.2162 7.3909 115.7215 55.7414 35.3550 173.5199 128 H 4.6927 8.3494 122.5409 53.7651 31.7573 174.0240 129 K 3.9854 8.6354 120.8185 56.4896 34.1351 176.2782 130 G 3.9023 7.9586 119.1451 47.1894 0.0000 173.0932 131 M 4.5334 8.7340 124.4710 55.7068 32.3944 174.8119 132 I 5.0202 7.7686 121.6296 59.6318 39.0962 174.6832 133 W 5.2220 9.2498 127.2334 54.8610 32.6662 174.4611 134 Q 5.3770 9.3102 124.1027 54.3817 30.6898 175.2037 135 V 5.0693 9.3414 117.4361 59.7555 36.0526 174.9786 136 G 4.3752 8.6427 108.4384 45.1516 0.0000 173.1814 137 G 4.8642 8.4251 107.0052 46.0753 0.0000 171.9106 138 T 5.2612 7.8325 109.0931 60.2676 73.1890 172.5798 139 A 5.3354 9.1018 124.1652 50.4554 21.4539 175.7395 140 Q 5.1694 9.3789 121.3968 54.1071 33.3140 175.1333 141 V 4.5534 8.3866 120.8455 61.3789 34.6850 175.0329 142 D 4.1925 9.7504 129.4953 55.3553 39.3773 174.2080 143 G 4.0293 8.2473 105.8936 45.2915 0.0000 173.5291 144 K 4.4350 7.6250 119.4848 54.4660 33.6756 175.9945 145 V 4.1312 8.2819 122.8268 63.1547 31.7135 175.8802 146 V 4.3918 8.8837 120.9488 62.2271 33.3821 175.6175 147 A 5.2481 7.7049 120.1896 51.0266 22.6473 174.9078 148 E 5.1829 9.1617 118.6725 54.9042 33.9457 174.8673 149 A 4.8114 8.5529 122.5173 51.3812 23.6010 174.7751 150 E 5.2138 8.7305 119.5282 54.8205 33.6594 174.1073 151 L 5.0049 9.3543 125.1264 54.7205 44.6058 173.6352 152 K 5.1788 8.8436 120.9705 54.7551 34.9277 174.8172 153 A 5.5093 9.9248 129.0155 50.3349 23.2681 174.1499 154 M 5.2795 9.0907 118.1556 54.0347 35.7639 174.3323 155 I 4.7570 8.7838 127.0227 60.2968 38.1722 174.8139 156 A 4.8475 8.7896 129.3482 49.6487 22.4865 174.9722 157 E 4.4899 8.5737 117.9682 56.5430 29.9237 177.7347 158 R 3.9903 8.6277 124.7089 58.5702 30.9872 176.9679 *159 E 4.1616 7.9805 118.8495 56.3597 30.4709 180.7917 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 8 L 8.18 4.38 0.00 1.71 1.77 1.04 0.86 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 9 Q 8.62 4.11 0.00 1.27 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.05 0.00 10 S 9.05 4.75 0.00 3.67 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 11 Q 7.67 4.93 0.00 1.76 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 12 F 8.62 4.89 0.00 2.80 2.87 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 13 F 9.29 4.87 0.00 2.99 3.01 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 14 I 8.69 3.62 2.02 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 1.55 1.48 0.96 0.00 0.00 15 E 8.21 3.95 0.00 1.95 1.87 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 2.27 2.48 0.00 16 H 8.59 4.93 0.00 3.65 3.70 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.96 4.00 2.04 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 1.39 0.81 0.97 0.00 0.00 18 L 8.09 4.00 0.00 1.87 1.76 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.88 4.15 0.00 2.30 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 20 I 7.44 3.62 1.85 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.44 0.13 0.00 0.00 21 L 7.37 4.34 0.00 1.64 1.64 0.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.41 0.00 2.04 2.00 0.00 3.75 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 23 H 8.04 4.19 0.00 3.10 3.41 0.00 5.85 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 24 R 8.08 4.73 0.00 1.80 1.84 0.00 3.34 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.55 0.00 25 Y 8.66 4.25 0.00 2.94 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 26 P 0.00 4.08 0.00 1.58 0.49 0.00 3.61 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 27 M 8.45 4.53 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 28 L 7.88 4.38 0.00 1.66 1.65 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.41 4.83 0.00 1.71 1.83 1.01 0.95 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 30 V 7.76 4.51 2.03 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 0.79 0.00 0.00 0.88 0.00 0.00 31 D 8.46 4.69 0.00 2.26 2.55 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 0.00 32 R 7.00 4.44 0.00 1.35 0.82 0.00 3.13 0.00 0.00 2.92 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.24 0.00 33 I 8.37 4.69 1.85 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.23 1.00 0.00 0.00 34 T 8.98 4.30 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 1.30 0.00 0.00 35 E 7.81 4.89 0.00 2.03 2.03 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 2.26 2.16 0.00 36 L 8.40 5.14 0.00 1.82 1.74 1.11 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.69 4.56 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 38 A 8.87 4.06 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 39 N 9.59 4.63 0.00 2.86 2.88 0.00 0.00 6.83 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 40 Q 7.50 4.71 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 41 K 8.62 4.89 0.00 2.03 2.00 0.00 1.34 0.00 0.00 1.87 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.40 7.81 42 I 8.74 5.11 1.95 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 1.13 1.53 1.02 0.00 0.00 43 V 9.22 4.92 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 0.84 0.00 0.00 0.86 0.00 0.00 44 A 9.08 5.24 1.29 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 0.00 0.00 0.00 45 Y 8.42 4.81 0.00 2.82 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 46 K 8.80 4.95 0.00 2.04 1.55 0.00 1.93 0.00 0.00 1.48 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.34 1.42 7.81 47 N 9.66 4.99 0.00 2.67 2.77 0.00 0.00 6.90 7.29 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 48 I 8.52 4.57 1.90 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.77 0.98 0.00 0.00 49 T 9.42 4.89 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 1.33 0.00 0.00 50 F 8.94 3.96 0.00 2.89 3.06 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 51 N 7.55 4.77 0.00 2.84 2.88 0.00 0.00 6.99 7.53 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 52 E 8.04 4.80 0.00 2.34 1.88 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 2.42 2.57 0.00 53 D 9.11 4.38 0.00 2.83 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 54 V 7.67 3.40 1.76 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 0.16 0.00 0.00 0.43 0.00 0.00 55 F 7.73 4.36 0.00 2.83 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 56 N 8.15 4.70 0.00 2.84 2.89 0.00 0.00 6.67 7.24 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 57 G 7.42 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 58 H 7.59 3.75 0.00 2.71 2.81 0.00 5.62 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 59 F 8.85 5.11 0.00 3.21 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 60 P 0.00 4.49 0.00 2.13 2.10 0.00 3.96 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.39 0.00 61 N 9.47 4.65 0.00 2.94 3.07 0.00 0.00 6.82 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 62 K 8.10 4.59 0.00 1.77 1.80 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.54 7.81 63 P 0.00 5.08 0.00 1.84 2.23 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 64 I 8.89 4.95 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.25 1.05 0.00 0.00 65 F 9.59 4.20 0.00 3.25 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 66 P 0.00 3.73 0.00 1.58 1.49 0.00 2.37 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.10 0.00 67 G 8.39 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 0.00 0.00 0.00 68 V 7.53 3.83 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 0.83 0.00 0.00 0.79 0.00 0.00 69 L 7.57 4.01 0.00 1.06 1.37 0.39 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.64 4.15 2.35 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.01 1.23 0.00 0.00 71 V 8.00 3.69 2.40 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 1.20 0.00 0.00 1.09 0.00 0.00 72 E 8.58 4.19 0.00 2.31 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 2.34 2.50 0.00 73 G 8.11 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 0.00 0.00 0.00 74 M 7.68 3.65 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.74 0.00 75 A 8.18 3.86 0.94 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 76 Q 7.95 3.84 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.01 2.50 0.00 77 S 7.77 4.13 0.00 3.98 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 78 G 8.34 3.77 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 0.00 0.00 0.00 79 G 8.36 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 80 F 8.28 3.89 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 81 L 8.19 3.97 0.00 1.87 1.84 1.04 1.21 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 82 A 7.96 2.00 0.45 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 0.00 0.00 0.00 83 F 7.94 4.01 0.00 3.09 2.86 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 84 T 7.99 4.05 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 1.27 0.00 0.00 85 S 8.03 4.14 0.00 3.77 4.08 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 86 L 7.05 3.82 0.00 0.80 0.13 0.77 0.96 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 87 W 7.72 4.30 0.00 2.42 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 88 G 7.71 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 89 F 8.72 4.45 0.00 3.18 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 90 D 7.85 4.75 0.00 2.89 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 91 P 0.00 4.04 0.00 2.04 1.88 0.00 3.48 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.37 0.00 92 E 8.02 3.89 0.00 1.87 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 2.27 2.31 0.00 93 I 7.95 3.72 1.75 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 1.29 0.75 0.10 0.00 0.00 94 A 7.91 2.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.70 3.93 0.00 1.78 1.92 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.33 7.81 96 T 8.17 4.47 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 1.15 0.00 0.00 97 K 7.44 4.95 0.00 1.41 1.61 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.00 0.86 7.81 98 I 8.15 4.15 1.60 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 0.58 0.61 0.18 0.00 0.00 99 V 8.08 4.46 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 0.74 0.00 0.00 0.83 0.00 0.00 100 Y 8.97 5.21 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 0.00 101 F 9.14 4.74 0.00 3.03 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 0.00 102 M 9.32 4.72 0.00 1.96 2.35 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 103 T 7.74 4.80 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 1.24 0.00 0.00 104 I 8.02 5.08 1.69 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.17 0.83 0.00 0.00 105 D 9.33 4.69 0.00 2.56 2.48 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 0.00 106 K 8.44 3.99 0.00 1.85 1.84 0.00 1.97 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.39 7.81 107 V 7.58 4.14 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 0.18 0.00 0.00 0.88 0.00 0.00 108 K 8.80 4.35 0.00 1.69 1.54 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.52 7.81 109 F 8.71 5.20 0.00 3.05 2.93 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 0.00 110 R 9.21 4.58 0.00 1.84 2.02 0.00 3.27 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 111 I 7.63 4.71 1.93 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 1.52 0.65 0.96 0.00 0.00 112 P 0.00 4.51 0.00 2.15 2.12 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 113 V 8.53 4.66 2.32 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 1.13 0.00 0.00 1.05 0.00 0.00 114 T 8.94 5.15 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 1.34 0.00 0.00 115 P 0.00 4.47 0.00 1.98 2.06 0.00 3.51 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.98 0.00 116 G 9.11 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 0.00 0.00 0.00 117 D 8.04 4.58 0.00 2.75 2.55 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 0.00 118 R 8.28 4.59 0.00 1.65 1.70 0.00 2.84 0.00 0.00 2.82 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 119 L 8.52 4.21 0.00 1.64 1.46 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.14 4.67 0.00 2.04 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 2.26 0.00 121 Y 9.34 5.20 0.00 2.91 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 0.00 122 H 9.63 5.18 0.00 3.17 3.29 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.80 5.29 0.00 1.62 1.60 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.11 5.13 0.00 1.92 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 2.29 2.28 0.00 125 V 9.02 4.09 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 0.81 0.00 0.00 1.29 0.00 0.00 126 L 8.86 4.39 0.00 1.73 1.72 0.99 1.17 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 0.00 127 K 7.39 4.22 0.00 1.72 1.55 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.78 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.18 1.20 7.81 128 H 8.35 4.69 0.00 1.40 1.49 0.00 5.82 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.64 3.99 0.00 1.59 1.55 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.26 7.81 130 G 7.96 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 0.00 131 M 8.73 4.53 0.00 2.43 2.22 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.61 0.00 132 I 7.77 5.02 1.97 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 1.28 1.19 0.96 0.00 0.00 133 W 9.25 5.22 0.00 3.29 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 0.00 134 Q 9.31 5.38 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 135 V 9.34 5.07 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 0.87 0.00 0.00 1.02 0.00 0.00 136 G 8.64 4.38 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 0.00 137 G 8.43 4.86 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 0.00 138 T 7.83 5.26 4.37 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 1.25 0.00 0.00 139 A 9.10 5.34 1.45 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 0.00 0.00 0.00 140 Q 9.38 5.17 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 141 V 8.39 4.55 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 0.92 0.00 0.00 0.93 0.00 0.00 142 D 9.75 4.19 0.00 2.74 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 0.00 143 G 8.25 4.03 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 0.00 144 K 7.63 4.43 0.00 1.85 1.73 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.35 7.81 145 V 8.28 4.13 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 0.87 0.00 0.00 0.94 0.00 0.00 146 V 8.88 4.39 2.39 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 0.74 0.00 0.00 1.09 0.00 0.00 147 A 7.70 5.25 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 9.16 5.18 0.00 1.82 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 2.23 2.25 0.00 149 A 8.55 4.81 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 0.00 150 E 8.73 5.21 0.00 2.00 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 2.23 2.29 0.00 151 L 9.35 5.00 0.00 2.14 1.89 1.06 0.76 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 0.00 152 K 8.84 5.18 0.00 1.90 1.76 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.44 7.81 153 A 9.92 5.51 1.23 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 0.00 0.00 154 M 9.09 5.28 0.00 2.21 1.99 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 2.60 2.62 0.00 155 I 8.78 4.76 2.08 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 1.20 0.81 1.15 0.00 0.00 156 A 8.79 4.85 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 0.00 157 E 8.57 4.49 0.00 1.88 1.87 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 2.33 2.26 0.00 158 R 8.63 3.99 0.00 1.80 1.87 0.00 3.20 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 *159 E 7.98 4.16 0.00 1.76 1.74 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 2.11 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.