NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3423 8.3349 115.2753 58.3055 63.6142 172.8584 0 H 4.5077 8.3670 124.7081 53.6309 30.2129 174.5830 1 M 3.9509 9.0405 125.2059 58.5096 33.3797 177.7695 2 A 3.9820 8.0118 120.5360 55.2875 18.6716 177.7857 3 N 4.3789 7.9549 111.0436 54.6068 38.6112 175.6738 4 C 5.0432 7.6236 115.1736 58.5041 29.2987 173.8090 5 E 4.1439 8.2004 120.7303 56.7304 30.3666 175.7789 6 R 5.2929 8.4744 122.9563 54.7606 33.8736 174.6603 7 T 4.7396 8.6873 115.5068 60.4055 72.0031 172.0001 8 F 4.9245 8.6585 128.0537 56.7452 41.3455 174.3723 9 I 4.6806 8.0495 126.5793 59.1575 40.2949 174.3273 10 A 4.6892 8.3935 128.3652 49.8994 22.0006 174.8614 11 I 4.4464 8.6126 124.6774 60.4419 38.5742 176.4227 12 K 4.4611 9.0255 127.5327 55.2288 33.2328 176.5416 13 P 4.6137 0.0000 0.0000 65.3050 31.0367 178.7459 14 D 4.5376 7.9580 118.1114 56.3211 39.3374 178.9504 15 G 3.6059 8.0175 106.8239 47.4679 0.0000 175.8135 16 V 3.6377 7.8374 120.5607 66.0119 31.4322 178.1325 17 Q 4.1058 8.1310 116.5719 58.6980 28.5985 178.1792 18 R 4.4343 7.8286 116.3060 55.0444 30.8801 176.3286 19 G 3.7681 7.9096 105.7210 47.5845 0.0000 175.1653 20 L 4.3665 7.7002 116.6791 53.8882 42.5988 178.0863 21 V 3.6758 7.6879 119.8661 66.0902 31.5451 177.9279 22 G 3.5998 7.9722 104.7757 47.8090 0.0000 174.9296 23 E 3.9543 8.0556 121.5003 58.9872 29.1512 178.8567 24 I 3.8037 7.8254 119.7383 64.5431 37.1785 178.4979 25 I 3.9969 7.8517 120.6747 64.2620 36.9447 178.2544 26 K 3.9527 8.3104 120.5204 59.8031 31.4612 179.0128 27 R 4.1012 7.8896 117.8589 59.3014 29.4627 179.1286 28 F 3.8066 7.8258 116.8624 60.0877 38.5477 177.7381 29 E 4.2241 8.4129 118.6489 59.6048 29.1817 179.4953 30 Q 4.0124 8.3382 116.4120 58.9075 28.6531 178.0698 31 K 3.9085 7.3496 120.4415 58.9054 32.2865 177.0794 32 G 3.8556 7.3737 104.2962 44.9511 0.0000 174.0001 33 F 5.0069 7.4534 118.4410 57.6396 39.9501 174.7044 34 R 4.8806 9.3691 122.8340 54.5431 32.1975 175.0172 35 L 3.3073 8.6823 128.4574 55.1370 42.3741 175.5299 36 V 4.3186 8.6207 125.5441 63.8062 34.1228 175.4317 37 G 4.0754 7.1853 105.9251 44.2917 0.0000 171.4133 38 L 5.2149 8.5393 123.9830 53.8591 45.0981 174.2777 39 K 4.7840 9.3396 124.8913 55.6701 36.4744 174.4187 40 F 5.5683 8.8348 125.1307 57.1619 40.5985 174.5555 41 M 4.6140 8.3447 122.2031 54.1198 35.0110 173.6033 42 Q 4.4573 8.3359 122.0518 54.3410 29.9341 175.1120 43 A 3.9639 8.5047 130.9930 51.7670 19.1425 177.7937 44 S 4.4063 8.2970 118.4178 58.0663 65.2691 175.2031 45 E 3.8895 8.5297 122.5136 59.7213 29.2887 179.3860 46 D 4.3134 7.9590 118.3702 57.2615 40.9527 178.4492 47 L 3.7228 7.4980 120.8100 58.1244 41.9610 179.0889 48 L 4.1131 7.8710 118.9318 57.6468 41.3143 179.6242 49 K 4.3475 8.1419 118.0444 59.4606 32.0504 178.6625 50 E 4.1294 7.9349 118.4666 59.1856 29.6190 177.9621 51 H 4.2963 8.2481 117.8183 58.4832 30.5975 176.2191 52 Y 4.9282 8.3009 119.0891 57.7273 38.6401 178.4101 53 V 3.8044 7.9051 121.1779 64.7499 31.9828 176.9767 54 D 4.5050 8.1422 118.5465 55.8838 41.1104 176.6438 55 L 4.7523 7.7506 118.9530 54.1208 42.1530 178.5103 56 K 2.0000 7.7122 120.4693 58.8481 32.4698 177.3295 57 D 4.5729 7.5973 116.5406 54.1200 41.4649 176.7248 58 R 4.2519 7.5428 119.6849 54.9212 30.7613 176.0265 59 P 4.1182 0.0000 0.0000 65.1104 31.4761 177.0404 60 F 4.9469 7.8707 116.9969 57.2597 39.8115 177.5138 61 F 4.2632 8.2167 126.0078 61.2738 39.1412 176.6099 62 A 3.9821 8.1409 120.2947 55.0458 18.2176 179.7102 63 G 3.6123 8.0558 103.8439 47.5624 0.0000 175.7031 64 L 3.9214 7.6752 122.5429 58.0075 41.8068 179.3000 65 V 3.4879 7.3045 118.0787 65.6449 31.1730 177.9150 66 K 3.9310 7.5712 118.0488 59.5970 32.3690 177.9291 67 Y 4.2697 8.2040 119.8288 61.0534 38.6375 177.6178 68 M 3.9778 7.9045 117.2990 57.3871 32.1055 177.0822 69 H 4.5896 7.4917 117.1497 57.1456 30.5985 176.5168 70 S 4.3572 7.7534 115.7027 59.8290 63.0120 174.1589 71 G 4.1542 6.8900 108.7164 42.3201 0.0000 169.9769 72 P 4.4444 0.0000 0.0000 62.6407 32.8514 175.5531 73 V 4.6822 8.9156 113.9572 59.6393 36.1451 174.9743 74 V 4.7778 8.4636 122.4832 61.4861 33.1985 174.2429 75 A 4.6871 8.8120 131.0218 51.1909 20.5505 175.7965 76 M 5.3405 8.7537 121.0678 53.5027 37.1207 174.4744 77 V 4.7525 8.2127 121.2671 60.9140 34.6454 174.3406 78 W 5.1806 8.7490 126.9004 54.7822 32.6468 174.1373 79 E 5.2303 9.9731 123.9895 53.7554 32.2763 175.2948 80 G 4.5287 8.2521 113.6911 45.6030 0.0000 171.9488 81 L 4.2834 9.1014 122.8743 56.3626 42.5021 176.5441 82 N 4.4192 9.0698 124.5089 53.9041 36.5943 176.7482 83 V 3.1209 7.8965 112.2456 64.4370 31.8728 177.8933 84 V 3.6219 7.7192 118.6922 65.2810 31.3784 177.9357 85 K 3.9333 7.9468 118.7629 59.9202 32.1940 178.8292 86 T 4.1275 8.1570 110.1165 64.4244 68.8035 176.7135 87 G 3.6881 8.3389 109.1816 47.9209 0.0000 175.8347 88 R 3.9780 7.9096 120.0775 58.8653 29.8256 179.3396 89 V 3.5763 7.3377 116.7473 66.3578 31.8523 177.7416 90 M 4.1117 8.3617 118.7924 58.3239 31.7217 178.7959 91 L 4.0761 8.1030 119.3964 55.1773 41.7319 178.1986 92 G 4.0343 7.6883 104.2812 44.2850 0.0000 172.5849 93 E 4.1241 8.2870 117.6351 56.4670 30.0285 177.6245 94 T 3.9486 8.7382 119.6260 66.7419 68.8420 174.2917 95 N 4.5612 8.0533 121.3168 52.2921 39.1870 173.7451 96 P 4.6193 0.0000 0.0000 64.6016 31.7912 178.6103 97 A 4.0152 8.0704 120.7136 54.6598 18.2697 177.8401 98 D 4.7388 7.8280 113.0399 54.3156 41.7948 177.0235 99 S 4.3375 7.6323 117.0413 58.1006 63.8062 173.7704 100 K 4.4955 8.2958 123.5871 54.5357 33.1579 174.7259 101 P 4.4545 0.0000 0.0000 64.2809 31.7683 175.7684 102 G 4.0282 9.4213 110.9961 46.0191 0.0000 174.9422 103 T 4.3835 7.5606 109.7840 60.5984 71.1739 176.0266 104 I 3.8161 8.2372 122.5791 64.8991 37.2746 179.2391 105 R 4.1504 8.2096 119.0030 59.0632 29.6402 179.3480 106 G 3.5803 7.8651 104.9531 47.7213 0.0000 174.9923 107 D 4.2672 7.7142 119.8678 55.3325 41.0586 177.2283 108 F 5.1344 7.7328 114.9191 57.0126 40.9751 174.0658 109 C 4.9868 8.0078 113.5252 56.8643 32.9274 173.2975 110 I 4.3098 8.4498 117.6099 62.3771 39.2779 175.9567 111 Q 4.6855 7.6317 120.3688 53.6798 30.9961 176.4769 112 V 3.6810 8.4097 123.5345 64.6608 31.5961 177.8200 113 G 3.5926 7.9509 108.0186 47.3174 0.0000 173.6133 114 R 4.6706 7.5153 117.8982 54.6171 30.2264 174.7593 115 N 4.8776 8.0360 113.0963 52.0616 38.5567 178.3739 116 I 2.9552 8.3682 113.0581 63.5179 38.7529 172.8656 117 I 5.0692 8.3007 118.5737 60.0471 41.3118 173.3801 118 H 5.0751 9.4652 126.0984 54.4601 33.4712 172.3003 119 G 4.3321 8.2034 109.8982 44.0372 0.0000 172.3466 120 S 4.5785 8.3994 119.0892 59.0898 62.8473 174.8001 121 D 4.5600 9.0206 123.4828 55.1369 40.1169 176.4006 122 S 4.6290 7.5041 113.8497 55.9833 67.0164 175.0760 123 V 3.5572 8.3002 121.2450 66.0807 31.2421 177.4038 124 E 3.9267 8.1998 118.5299 59.6226 29.4419 178.8983 125 S 4.1701 8.1443 114.7948 61.3583 62.7625 176.5009 126 A 4.0623 8.2196 123.6830 55.2435 18.1730 179.3464 127 E 3.9045 8.3353 117.1676 59.5138 29.5755 179.6735 128 K 3.9315 7.8672 118.9025 59.6723 32.3192 178.7745 129 E 3.9946 8.5811 119.2864 59.3715 29.2581 179.4532 130 I 3.9359 8.1417 120.2715 64.4315 36.9829 178.7762 131 G 3.6125 7.7515 104.9608 47.5316 0.0000 175.3103 132 L 4.0332 7.7632 121.8243 57.8338 42.2802 178.6701 133 W 4.0266 8.2083 117.4093 57.2792 29.5616 176.6825 134 F 5.0179 7.9916 116.3304 55.6934 41.4371 174.8081 135 H 4.7117 9.6020 121.6999 54.5534 29.2105 174.9419 136 P 4.3366 0.0000 0.0000 65.8566 31.3842 178.7291 137 E 4.1100 8.1616 116.4023 59.0256 29.5806 177.8452 138 E 4.2075 8.2023 117.2506 58.0885 29.8487 176.5893 139 L 4.4483 7.4758 119.1785 53.8514 42.4238 176.3580 140 V 4.3346 8.4224 124.7576 61.2813 33.1204 174.4538 141 D 5.0812 8.7560 128.0994 52.9687 41.9954 175.4212 142 Y 4.8896 8.3647 120.2663 55.8378 41.2230 174.0424 143 T 4.3191 8.3320 117.1750 61.5815 70.1773 174.8907 144 S 4.4172 8.2728 121.8073 57.9272 63.0680 174.6523 145 C 4.2568 8.9633 121.9107 60.5600 29.6977 174.0483 146 A 4.7785 7.8765 122.3959 51.8394 19.1787 178.0963 147 Q 4.0702 8.2536 120.4324 59.8089 29.0702 178.9177 148 N 4.1804 8.1038 112.8907 55.0991 38.5742 175.5159 149 W 4.7910 7.9421 116.1114 56.5956 30.0254 176.5862 150 I 4.0604 7.6130 118.5401 61.9109 38.0360 175.5858 151 Y 4.8648 7.8456 116.5089 55.7562 41.0471 175.3105 152 E 4.1245 8.8721 120.2961 56.6404 29.9554 176.5025 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 S 8.33 4.34 0.00 3.80 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 0.00 0 H 8.37 4.51 0.00 3.18 3.14 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 9.04 3.95 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 2 A 8.01 3.98 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 3 N 7.95 4.38 0.00 2.41 1.69 0.00 0.00 6.84 8.49 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 4 C 7.62 5.04 0.00 2.95 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.20 4.14 0.00 2.05 2.07 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 2.38 2.36 0.00 6 R 8.47 5.29 0.00 1.68 1.75 0.00 3.33 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 7 T 8.69 4.74 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 1.17 0.00 0.00 8 F 8.66 4.92 0.00 3.14 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 9 I 8.05 4.68 1.61 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 0.98 0.17 0.75 0.00 0.00 10 A 8.39 4.69 0.70 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 11 I 8.61 4.45 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.55 0.94 0.00 0.00 12 K 9.03 4.46 0.00 1.90 1.88 0.00 1.91 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.56 1.50 7.81 13 P 0.00 4.61 0.00 1.87 1.94 0.00 3.76 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 1.60 1.97 0.00 14 D 7.96 4.54 0.00 2.92 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 15 G 8.02 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 16 V 7.84 3.64 2.31 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 1.28 0.00 0.00 1.15 0.00 0.00 17 Q 8.13 4.11 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 18 R 7.83 4.43 0.00 1.88 1.95 0.00 3.32 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 19 G 7.91 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 20 L 7.70 4.37 0.00 1.73 1.44 0.87 0.05 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 21 V 7.69 3.68 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 1.05 0.00 0.00 0.95 0.00 0.00 22 G 7.97 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 23 E 8.06 3.95 0.00 1.95 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 2.11 2.48 0.00 24 I 7.83 3.80 2.10 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 1.61 0.92 1.04 0.00 0.00 25 I 7.85 4.00 2.01 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 1.73 0.83 1.24 0.00 0.00 26 K 8.31 3.95 0.00 1.99 2.06 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.53 7.81 27 R 7.89 4.10 0.00 1.97 1.78 0.00 3.25 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 28 F 7.83 3.81 0.00 1.98 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 29 E 8.41 4.22 0.00 2.30 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 0.00 2.70 2.92 0.00 30 Q 8.34 4.01 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.99 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 31 K 7.35 3.91 0.00 1.67 1.80 0.00 1.40 0.00 0.00 1.50 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.95 0.65 7.81 32 G 7.37 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 33 F 7.45 5.01 0.00 3.31 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 9.37 4.88 0.00 1.97 1.82 0.00 2.21 0.00 0.00 2.81 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 35 L 8.68 3.31 0.00 1.48 1.38 0.76 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.62 4.32 2.00 0.00 0.00 0.00 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 0.86 0.00 0.00 37 G 7.19 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 0.00 0.00 0.00 38 L 8.54 5.21 0.00 1.48 1.48 0.94 0.52 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 39 K 9.34 4.78 0.00 1.89 1.93 0.00 1.25 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.20 1.33 7.81 40 F 8.83 5.57 0.00 2.95 3.04 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 41 M 8.34 4.61 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 42 Q 8.34 4.46 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.97 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 43 A 8.50 3.96 1.26 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 0.00 0.00 44 S 8.30 4.41 0.00 4.00 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 45 E 8.53 3.89 0.00 1.93 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 2.17 2.04 0.00 46 D 7.96 4.31 0.00 2.64 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 47 L 7.50 3.72 0.00 1.38 1.50 0.28 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.87 4.11 0.00 1.92 1.90 1.02 1.38 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 49 K 8.14 4.35 0.00 2.01 2.05 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.78 1.62 7.81 50 E 7.93 4.13 0.00 2.02 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 2.26 2.31 0.00 51 H 8.25 4.30 0.00 3.20 3.29 0.00 5.79 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 52 Y 8.30 4.93 0.00 3.47 3.18 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 53 V 7.91 3.80 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 0.77 0.00 0.00 0.92 0.00 0.00 54 D 8.14 4.51 0.00 2.75 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 55 L 7.75 4.75 0.00 1.96 1.77 1.16 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.71 2.00 0.00 1.25 1.38 0.00 1.49 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.25 7.81 57 D 7.60 4.57 0.00 2.61 2.68 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 58 R 7.54 4.25 0.00 2.02 1.93 0.00 3.33 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 59 P 0.00 4.12 0.00 1.38 1.93 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 60 F 7.87 4.95 0.00 3.12 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.22 4.26 0.00 3.26 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 62 A 8.14 3.98 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 63 G 8.06 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 64 L 7.68 3.92 0.00 1.77 1.59 0.78 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.30 3.49 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 0.82 0.00 0.00 0.18 0.00 0.00 66 K 7.57 3.93 0.00 1.99 1.98 0.00 1.92 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.60 7.81 67 Y 8.20 4.27 0.00 3.02 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 68 M 7.90 3.98 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.94 0.00 69 H 7.49 4.59 0.00 3.15 3.47 0.00 5.95 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 70 S 7.75 4.36 0.00 4.07 4.11 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 71 G 6.89 4.15 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 0.00 72 P 0.00 4.44 0.00 1.20 1.70 0.00 3.59 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 2.09 1.98 0.00 73 V 8.92 4.68 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 0.77 0.00 0.00 1.15 0.00 0.00 74 V 8.46 4.78 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 1.11 0.00 0.00 1.17 0.00 0.00 75 A 8.81 4.69 1.40 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 0.00 0.00 0.00 76 M 8.75 5.34 0.00 1.74 1.96 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 77 V 8.21 4.75 1.68 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 0.91 0.00 0.00 0.40 0.00 0.00 78 W 8.75 5.18 0.00 3.11 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 79 E 9.97 5.23 0.00 1.98 1.80 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 2.23 2.48 0.00 80 G 8.25 4.53 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 0.00 0.00 0.00 81 L 9.10 4.28 0.00 1.91 1.96 1.03 1.19 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 82 N 9.07 4.42 0.00 3.04 2.89 0.00 0.00 7.11 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 83 V 7.90 3.12 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 -0.02 0.00 0.00 0.99 0.00 0.00 84 V 7.72 3.62 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 1.22 0.00 0.00 0.99 0.00 0.00 85 K 7.95 3.93 0.00 1.88 1.82 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.52 7.81 86 T 8.16 4.13 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 1.30 0.00 0.00 87 G 8.34 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 0.00 0.00 0.00 88 R 7.91 3.98 0.00 2.07 2.01 0.00 3.31 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 89 V 7.34 3.58 2.24 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 0.81 0.00 0.00 0.99 0.00 0.00 90 M 8.36 4.11 0.00 1.73 1.96 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.39 0.00 91 L 8.10 4.08 0.00 2.02 1.74 1.14 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 92 G 7.69 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 93 E 8.29 4.12 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 94 T 8.74 3.95 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 1.28 0.00 0.00 95 N 8.05 4.56 0.00 2.73 2.71 0.00 0.00 7.16 7.71 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 96 P 0.00 4.62 0.00 2.35 2.10 0.00 3.94 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 2.21 2.07 0.00 97 A 8.07 4.02 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 98 D 7.83 4.74 0.00 2.70 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 99 S 7.63 4.34 0.00 4.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.30 4.50 0.00 1.75 1.68 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.38 7.81 101 P 0.00 4.45 0.00 1.98 1.92 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 102 G 9.42 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 0.00 103 T 7.56 4.38 4.41 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 1.24 0.00 0.00 104 I 8.24 3.82 1.95 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 1.66 1.42 1.10 0.00 0.00 105 R 8.21 4.15 0.00 1.98 2.00 0.00 3.39 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 106 G 7.87 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.71 4.27 0.00 1.61 1.54 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 0.00 108 F 7.73 5.13 0.00 3.11 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 0.00 109 C 8.01 4.99 0.00 3.21 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 0.00 110 I 8.45 4.31 1.88 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 1.31 0.70 0.91 0.00 0.00 111 Q 7.63 4.69 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 112 V 8.41 3.68 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 0.72 0.00 0.00 0.94 0.00 0.00 113 G 7.95 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.52 4.67 0.00 1.78 2.00 0.00 3.35 0.00 0.00 3.10 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.61 0.00 115 N 8.04 4.88 0.00 2.91 3.05 0.00 0.00 5.93 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 0.00 116 I 8.37 2.96 1.93 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 1.27 1.15 1.07 0.00 0.00 117 I 8.30 5.07 1.93 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 1.13 0.89 0.98 0.00 0.00 118 H 9.47 5.08 0.00 3.32 3.07 0.00 5.78 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 0.00 119 G 8.20 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 0.00 0.00 0.00 0.00 120 S 8.40 4.58 0.00 3.86 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 0.00 121 D 9.02 4.56 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 0.00 122 S 7.50 4.63 0.00 4.04 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 0.00 123 V 8.30 3.56 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 1.11 0.00 0.00 0.94 0.00 0.00 124 E 8.20 3.93 0.00 2.09 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 2.39 2.42 0.00 125 S 8.14 4.17 0.00 4.16 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 0.00 126 A 8.22 4.06 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 0.00 127 E 8.34 3.90 0.00 2.14 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 2.59 2.49 0.00 128 K 7.87 3.93 0.00 1.83 1.98 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 129 E 8.58 3.99 0.00 2.10 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 2.42 2.46 0.00 130 I 8.14 3.94 1.97 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 1.54 0.83 0.92 0.00 0.00 131 G 7.75 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 0.00 132 L 7.76 4.03 0.00 1.72 1.90 0.78 1.02 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 0.00 133 W 8.21 4.03 0.00 3.15 3.07 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 0.00 134 F 7.99 5.02 0.00 3.20 2.98 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 0.00 135 H 9.60 4.71 0.00 3.35 3.38 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.34 0.00 2.21 2.15 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 137 E 8.16 4.11 0.00 1.98 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 2.32 2.41 0.00 138 E 8.20 4.21 0.00 2.44 2.33 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 2.46 2.41 0.00 139 L 7.48 4.45 0.00 1.54 1.54 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.42 4.33 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 0.79 0.00 0.00 0.93 0.00 0.00 141 D 8.76 5.08 0.00 2.61 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 0.00 142 Y 8.36 4.89 0.00 3.03 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 0.00 143 T 8.33 4.32 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 1.22 0.00 0.00 144 S 8.27 4.42 0.00 3.80 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 C 8.96 4.26 0.00 3.21 3.15 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 0.00 146 A 7.88 4.78 1.40 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 0.00 0.00 0.00 147 Q 8.25 4.07 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 148 N 8.10 4.18 0.00 2.24 2.26 0.00 0.00 6.80 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 0.00 149 W 7.94 4.79 0.00 3.36 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 0.00 150 I 7.61 4.06 1.55 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 1.28 0.68 0.10 0.00 0.00 151 Y 7.85 4.86 0.00 2.92 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.87 4.12 0.00 2.06 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 0.00 2.29 2.29 0.00