NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 3.9445 8.3644 120.2762 53.1578 41.5694 175.2944 2 S 3.6795 7.0838 115.0490 55.9433 64.4219 171.3829 3 K 4.2965 9.0368 119.2404 57.9141 33.4335 176.5176 4 T 3.3908 8.5918 116.5663 63.3316 66.7572 172.6610 5 A 3.7855 7.4756 120.5097 52.4751 15.8619 175.1029 6 P 4.4063 0.0000 0.0000 60.9860 32.6135 176.4435 7 A 4.3410 8.4707 122.7398 52.8032 18.5234 177.0196 8 F 5.0442 9.6685 118.1071 55.6800 41.8638 174.4372 9 S 4.5254 8.8020 116.5590 56.9587 65.7820 172.5171 10 L 4.8790 9.1889 128.3469 52.2139 44.2645 173.5703 11 P 4.9679 0.0000 0.0000 62.8322 32.3463 176.3760 12 D 4.8407 9.0087 124.5328 52.1273 41.5519 176.6312 13 L 4.1344 8.0400 118.0117 57.2309 41.4747 177.4691 14 H 4.4940 8.9875 117.9710 56.0754 30.2150 175.6492 15 G 3.9944 8.5026 107.5275 45.1751 0.0000 173.2075 16 K 4.5692 7.7464 119.0466 55.8328 35.0996 175.5188 17 T 4.8977 8.4143 119.2294 62.7216 69.8279 174.4244 18 V 4.4074 8.9220 120.3350 60.1465 34.4157 175.1850 19 S 4.1175 7.9123 116.9612 55.3515 66.0987 173.7875 20 N 4.2821 8.2779 116.7911 56.5653 38.2102 177.2173 21 A 4.0248 7.8653 121.3241 55.0493 18.1852 178.7907 22 D 4.4529 7.8925 115.6583 56.8517 41.3774 177.9574 23 L 4.4911 7.9556 119.2613 55.9770 41.5788 176.3372 24 Q 4.2782 7.3473 116.4442 59.6459 27.7728 175.0323 25 G 4.1445 8.3322 113.0906 44.9232 0.0000 172.7768 26 K 4.8475 7.4363 117.7583 54.7265 34.4407 176.1637 27 V 4.6036 8.3494 122.6360 61.8143 33.9982 174.7454 28 T 4.9886 8.3327 122.4623 60.3892 72.7854 172.6398 29 L 4.9383 7.9626 127.7474 53.7344 44.0462 174.9771 30 I 5.4013 8.7335 129.2509 59.1005 39.0025 174.5267 31 N 5.3539 8.3305 125.0179 51.0772 40.0511 173.6140 32 F 5.2162 9.3924 122.5216 56.5027 40.6926 175.0390 33 W 5.6215 9.2637 121.1647 55.9679 31.9713 173.2419 34 F 4.3786 8.1171 112.0457 55.1614 39.9501 173.4068 35 P 4.1524 0.0000 0.0000 66.2154 31.1574 177.6978 36 S 4.7322 8.7941 112.0465 58.8674 63.2179 173.6419 37 C 3.7039 7.8268 121.9649 58.0239 31.6863 172.8822 38 P 4.4621 0.0000 0.0000 65.3582 30.9737 178.7739 39 G 3.6583 7.9820 103.7065 47.0715 0.0000 175.1854 40 C 4.2170 7.8322 118.9841 62.6619 27.7946 175.9733 41 V 3.5756 7.2800 119.2337 66.0355 31.4264 177.9078 42 S 4.4697 7.8911 113.8712 61.3072 63.1788 176.1739 43 E 3.9973 8.5837 121.3362 59.7717 29.1606 178.9072 44 M 3.8829 8.0290 118.2300 58.4088 32.2346 176.4342 45 P 4.2353 0.0000 0.0000 65.2280 31.5666 178.5370 46 K 3.8979 7.6469 117.1778 59.8336 32.2213 179.0092 47 I 3.7025 8.3776 120.2209 63.8389 36.8958 178.3168 48 I 3.8879 8.0201 121.2741 64.6418 36.9726 178.3595 49 K 4.0447 7.9490 119.8816 59.5145 32.0119 179.0135 50 T 4.0733 8.1799 115.9425 66.8811 68.0512 176.6078 51 A 4.3502 8.7208 122.7688 54.9582 18.1394 179.2120 52 N 4.2325 7.9673 114.9601 56.6144 39.1876 176.5349 53 D 4.3385 8.3497 119.6099 57.5071 41.4511 177.2903 54 Y 4.6849 7.9919 114.9974 58.6777 37.8885 177.3482 55 K 4.2522 7.6545 121.3262 59.2728 32.3440 176.7231 56 N 4.7852 7.5817 112.5575 53.0591 38.4960 174.6695 57 K 4.3406 8.5130 117.5741 56.0672 34.2448 176.9879 58 N 5.4426 7.2867 128.2268 53.3786 37.9296 172.8219 59 F 5.5578 8.4268 121.5879 56.9628 41.7685 174.6904 60 Q 4.6974 8.1409 122.2431 54.3992 32.1436 173.7269 61 V 4.6069 8.4084 120.3157 61.1012 34.6268 174.0274 62 L 5.0294 8.9187 127.4619 53.0394 44.6920 175.3576 63 A 5.4600 9.2343 127.6586 50.1140 20.5678 175.9252 64 V 4.6914 8.9175 124.1202 61.6258 33.4336 174.3813 65 A 5.3601 9.2335 131.5397 50.0903 20.3182 176.5194 66 Q 4.1735 8.2040 120.9325 53.8706 31.2201 175.4425 67 P 4.6024 0.0000 0.0000 62.3537 28.1039 175.2881 68 I 4.0962 7.9297 120.8517 62.2606 39.6053 175.8223 69 D 4.9554 7.6378 117.8057 51.5837 43.0896 174.7542 70 P 4.3530 0.0000 0.0000 62.7419 32.2466 177.3972 71 I 2.8266 7.9220 120.3596 64.0690 37.5771 177.9917 72 E 3.9203 7.8887 119.6470 59.2191 29.6558 178.7479 73 S 4.2372 7.8915 115.0106 61.3615 62.8217 176.8645 74 V 3.5910 7.6596 120.6495 66.1384 31.3931 178.2173 75 R 4.0404 7.8181 117.3385 59.0477 29.7450 178.8093 76 Q 3.9821 8.4870 120.1011 59.3033 29.1870 177.7645 77 Y 4.2063 8.1078 120.0167 61.0388 38.9410 178.4728 78 V 3.8215 8.2678 113.3866 64.2254 31.6108 178.8808 79 K 3.9546 8.6368 118.7408 59.3666 31.8132 179.0146 80 D 4.1601 8.1730 117.6333 57.3882 41.0929 176.5444 81 Y 4.2929 7.7484 112.8761 57.1033 38.6775 175.5430 82 G 3.8707 7.5181 107.1153 46.4391 0.0000 174.2363 83 L 3.9638 8.0718 119.2218 54.1806 42.0595 176.3408 84 P 4.7315 0.0000 0.0000 62.6728 31.3894 175.5102 85 F 5.1751 6.8656 112.7446 55.5525 41.0910 174.5862 86 T 4.2834 8.3895 116.2612 63.4680 69.5982 173.8359 87 V 5.1194 8.5463 125.4835 61.5093 34.7634 174.0725 88 M 5.1772 9.3901 126.0275 53.6669 36.1398 173.8724 89 Y 4.9327 8.3856 120.0214 55.8127 41.5156 174.5158 90 D 4.8484 8.6474 130.5816 52.9942 38.9740 176.4257 91 A 3.7387 8.0330 125.4606 54.7771 19.0021 178.9190 92 D 4.4513 7.9719 111.9475 53.3327 40.3876 177.3283 93 K 4.0588 7.9369 118.0772 57.2840 30.5596 177.4925 94 A 4.1826 8.8478 123.4219 54.9488 18.2590 180.4994 95 V 3.6224 7.9103 116.7698 66.1179 31.9016 178.4037 96 G 3.2898 8.9576 105.9550 47.8101 0.0000 175.7722 97 Q 4.0079 8.4763 119.6736 58.3992 28.7123 178.3685 98 A 4.0396 7.8674 121.5582 55.2549 18.5205 179.5296 99 F 4.2512 7.7899 114.6297 58.1091 40.1793 175.2407 100 G 3.6063 7.6968 105.2983 46.3182 0.0000 172.6038 101 T 4.0501 7.1280 109.0918 61.7017 70.8834 176.5533 102 Q 3.8206 7.6303 125.5773 54.9615 27.8495 174.5236 103 V 3.9422 6.8630 109.4271 59.7765 33.0097 174.8211 104 Y 5.0675 7.9911 121.0651 55.4033 41.7390 173.3968 105 P 5.1826 0.0000 0.0000 63.2601 33.7517 174.8870 106 T 5.0962 8.7120 114.6392 61.1677 71.3463 172.2961 107 S 4.9486 9.2929 125.7397 57.0642 64.9666 173.1070 108 V 4.7098 8.7611 125.5525 61.1359 33.7962 174.2208 109 L 4.9588 9.1041 128.1984 53.4245 43.7584 175.3085 110 I 4.5988 8.8815 126.0775 59.4980 39.1595 176.7953 111 G 4.4337 8.9110 115.8574 44.4030 0.0000 173.0072 112 K 4.4877 8.5780 116.2564 57.3871 33.2463 178.1830 113 K 4.0886 7.9971 120.1946 57.4756 33.0013 176.6231 114 G 4.3520 8.4273 107.4642 45.6965 0.0000 174.7209 115 E 3.9197 8.5737 121.8291 56.8065 29.7209 174.2860 116 I 3.3796 7.6814 121.1633 61.5711 33.3490 172.6293 117 L 4.3327 8.2456 124.6735 54.1900 41.4381 176.2485 118 K 4.6089 7.8170 119.7494 54.8810 35.6393 175.1088 119 T 4.8917 8.1802 115.8404 60.2611 70.6864 172.4840 120 Y 4.4271 9.1177 125.6967 56.5128 39.7340 175.0300 121 V 4.4495 8.4903 123.8124 63.5945 34.0824 173.9908 122 G 3.6426 9.8603 119.8998 45.7176 0.0000 174.8820 123 E 4.1972 9.0914 126.5049 53.3286 30.6349 172.7758 124 P 3.8177 0.0000 0.0000 61.5347 30.8545 175.6250 125 D 4.0164 8.2561 123.8541 54.4817 41.6817 176.5123 126 F 3.8403 8.3599 126.8050 60.3404 39.0861 177.7200 127 G 3.7205 8.1843 104.7454 48.0249 0.0000 175.6222 128 K 4.1724 9.0801 121.2570 57.8619 32.0941 179.4104 129 L 3.6685 7.7242 121.5179 58.2474 41.8798 178.5436 130 Y 4.0764 7.8961 117.0087 61.2042 37.7138 178.5163 131 Q 4.0041 8.0435 118.5141 58.6737 28.7688 178.2693 132 E 3.9055 8.2023 120.6070 58.9689 29.5412 178.7846 133 I 3.2606 7.8496 120.5015 64.0477 36.9016 177.8596 134 D 3.7380 8.0458 119.2805 57.4101 40.9400 178.4473 135 T 3.8355 7.9355 116.3514 66.4106 68.1389 176.4686 136 A 3.9608 7.5748 122.0919 54.6149 18.3489 179.6190 137 W 4.7420 7.4838 117.1918 60.2540 29.3302 178.2260 138 R 4.3624 8.2384 117.5087 58.7382 30.0596 176.2618 139 N 4.5522 8.5911 117.1306 53.4358 36.6872 175.1497 140 S 4.2246 8.3835 118.4702 60.9223 63.5917 175.2684 141 D 4.4362 8.1183 117.9775 55.1820 42.3929 176.4726 142 A 3.3374 8.2234 117.6825 52.9973 14.9507 175.8348 143 E 3.6058 8.2971 127.0925 56.4689 28.4380 173.4170 144 G 4.0114 8.1374 115.7164 45.4209 0.0000 171.9128 145 H 4.2569 9.2099 113.8160 56.6716 26.5506 175.5119 146 H 4.2342 8.1474 113.0341 56.8181 26.6719 175.9199 147 H 4.7948 7.8482 116.7657 54.2746 30.1230 170.5686 148 H 4.2015 8.5409 121.0754 56.5723 29.9488 174.4462 149 H 5.0265 8.2488 120.9701 55.0111 29.5702 172.7653 150 H 4.1881 7.7750 124.9830 57.3953 29.4766 173.2379 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 D 8.36 3.94 0.00 2.62 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 2 S 7.08 3.68 0.00 3.77 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 3 K 9.04 4.30 0.00 1.81 1.77 0.00 1.96 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.68 7.81 4 T 8.59 3.39 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 1.23 0.00 0.00 5 A 7.48 3.79 1.52 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 0.00 0.00 6 P 0.00 4.41 0.00 2.33 2.02 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 7 A 8.47 4.34 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 8 F 9.67 5.04 0.00 3.00 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 9 S 8.80 4.53 0.00 3.69 3.76 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 10 L 9.19 4.88 0.00 1.92 1.74 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.97 0.00 2.16 2.08 0.00 3.88 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 2.04 2.00 0.00 12 D 9.01 4.84 0.00 3.16 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 13 L 8.04 4.13 0.00 1.69 1.81 1.00 1.55 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 14 H 8.99 4.49 0.00 3.09 3.49 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.50 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.75 4.57 0.00 1.88 2.01 0.00 1.52 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.63 1.65 7.81 17 T 8.41 4.90 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 1.17 0.00 0.00 18 V 8.92 4.41 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 0.79 0.00 0.00 1.17 0.00 0.00 19 S 7.91 4.12 0.00 3.61 3.47 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 20 N 8.28 4.28 0.00 2.75 2.88 0.00 0.00 6.89 7.90 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 21 A 7.87 4.02 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.89 4.45 0.00 2.66 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 23 L 7.96 4.49 0.00 1.97 1.79 1.23 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.35 4.28 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.23 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 25 G 8.33 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.44 4.85 0.00 1.62 1.72 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.49 7.81 27 V 8.35 4.60 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 1.46 0.00 0.00 1.34 0.00 0.00 28 T 8.33 4.99 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 1.13 0.00 0.00 29 L 7.96 4.94 0.00 2.10 1.59 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.73 5.40 1.54 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 0.80 0.79 0.42 0.00 0.00 31 N 8.33 5.35 0.00 2.74 2.76 0.00 0.00 6.28 7.47 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 32 F 9.39 5.22 0.00 3.27 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 33 W 9.26 5.62 0.00 3.28 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 34 F 8.12 4.38 0.00 3.06 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 35 P 0.00 4.15 0.00 2.25 2.40 0.00 3.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 36 S 8.79 4.73 0.00 4.15 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 37 C 7.83 3.70 0.00 1.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.46 0.00 2.22 2.12 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 39 G 7.98 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 0.00 0.00 0.00 40 C 7.83 4.22 0.00 3.15 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 V 7.28 3.58 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 0.93 0.00 0.00 1.00 0.00 0.00 42 S 7.89 4.47 0.00 4.04 4.21 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 0.00 0.00 0.00 43 E 8.58 4.00 0.00 1.77 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 0.00 2.19 2.39 0.00 44 M 8.03 3.88 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.80 0.00 45 P 0.00 4.24 0.00 2.16 2.07 0.00 3.88 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 46 K 7.65 3.90 0.00 2.04 2.28 0.00 1.66 0.00 0.00 1.97 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.65 1.64 7.81 47 I 8.38 3.70 1.40 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.19 -0.29 0.00 0.00 48 I 8.02 3.89 2.10 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.39 1.00 0.00 0.00 49 K 7.95 4.04 0.00 1.84 1.82 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.46 7.81 50 T 8.18 4.07 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 51 A 8.72 4.35 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 52 N 7.97 4.23 0.00 2.81 3.21 0.00 0.00 7.19 9.13 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 53 D 8.35 4.34 0.00 2.81 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 0.00 0.00 0.00 0.00 54 Y 7.99 4.68 0.00 3.38 3.37 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 55 K 7.65 4.25 0.00 2.03 2.06 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.54 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.60 7.81 56 N 7.58 4.79 0.00 2.81 2.83 0.00 0.00 6.82 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 57 K 8.51 4.34 0.00 1.78 2.19 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.32 0.95 7.81 58 N 7.29 5.44 0.00 2.92 2.89 0.00 0.00 5.64 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.43 5.56 0.00 3.77 3.47 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 60 Q 8.14 4.70 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.04 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 61 V 8.41 4.61 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 0.80 0.00 0.00 1.10 0.00 0.00 62 L 8.92 5.03 0.00 1.50 1.56 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 63 A 9.23 5.46 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 0.00 0.00 64 V 8.92 4.69 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.74 0.00 0.00 65 A 9.23 5.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.20 4.17 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.97 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 67 P 0.00 4.60 0.00 1.88 2.06 0.00 3.47 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.70 0.00 68 I 7.93 4.10 1.42 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 -0.29 0.27 0.00 0.00 69 D 7.64 4.96 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.13 1.94 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 71 I 7.92 2.83 0.56 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 0.63 0.00 0.00 72 E 7.89 3.92 0.00 2.05 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 2.35 2.44 0.00 73 S 7.89 4.24 0.00 4.13 3.95 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 74 V 7.66 3.59 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.00 0.00 0.00 75 R 7.82 4.04 0.00 2.21 1.98 0.00 3.33 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 76 Q 8.49 3.98 0.00 2.12 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 77 Y 8.11 4.21 0.00 3.35 3.34 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 78 V 8.27 3.82 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.02 0.00 0.00 79 K 8.64 3.95 0.00 1.83 1.83 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.59 7.81 80 D 8.17 4.16 0.00 2.38 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 0.00 0.00 0.00 0.00 81 Y 7.75 4.29 0.00 3.22 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 82 G 7.52 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 83 L 8.07 3.96 0.00 1.51 0.55 1.24 0.92 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 84 P 0.00 4.73 0.00 2.30 2.20 0.00 3.88 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.09 0.00 85 F 6.87 5.18 0.00 3.27 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 86 T 8.39 4.28 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 1.31 0.00 0.00 87 V 8.55 5.12 2.22 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 1.52 0.00 0.00 1.12 0.00 0.00 88 M 9.39 5.18 0.00 2.07 2.00 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 2.59 2.58 0.00 89 Y 8.39 4.93 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.65 4.85 0.00 2.80 2.45 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 91 A 8.03 3.74 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 92 D 7.97 4.45 0.00 2.78 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 93 K 7.94 4.06 0.00 2.13 1.96 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.37 7.81 94 A 8.85 4.18 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 95 V 7.91 3.62 2.50 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 1.15 0.00 0.00 1.02 0.00 0.00 96 G 8.96 3.29 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 0.00 97 Q 8.48 4.01 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 98 A 7.87 4.04 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 99 F 7.79 4.25 0.00 3.16 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 0.00 100 G 7.70 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 0.00 101 T 7.13 4.05 4.02 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 1.14 0.00 0.00 102 Q 7.63 3.82 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.73 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 103 V 6.86 3.94 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 0.60 0.00 0.00 0.87 0.00 0.00 104 Y 7.99 5.07 0.00 3.24 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 0.00 105 P 0.00 5.18 0.00 2.35 2.25 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.97 0.00 106 T 8.71 5.10 4.44 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 1.52 0.00 0.00 107 S 9.29 4.95 0.00 3.77 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 0.00 108 V 8.76 4.71 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 0.84 0.00 0.00 0.83 0.00 0.00 109 L 9.10 4.96 0.00 1.56 1.59 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.88 4.60 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 1.20 1.25 0.98 0.00 0.00 111 G 8.91 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 0.00 0.00 0.00 0.00 112 K 8.58 4.49 0.00 2.02 2.19 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.55 1.48 7.81 113 K 8.00 4.09 0.00 1.76 2.10 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.38 1.51 7.81 114 G 8.43 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 3.92 0.00 2.12 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 2.43 2.43 0.00 116 I 7.68 3.38 2.03 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.99 1.13 0.00 0.00 117 L 8.25 4.33 0.00 1.67 1.57 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.82 4.61 0.00 1.79 1.60 0.00 1.25 0.00 0.00 1.68 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.51 1.08 7.81 119 T 8.18 4.89 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 1.18 0.00 0.00 120 Y 9.12 4.43 0.00 2.93 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 0.00 121 V 8.49 4.45 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 0.86 0.00 0.00 0.89 0.00 0.00 122 G 9.86 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 0.00 123 E 9.09 4.20 0.00 1.85 1.82 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 2.15 2.15 0.00 124 P 0.00 3.82 0.00 1.48 1.67 0.00 3.52 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.63 0.00 125 D 8.26 4.02 0.00 2.65 2.54 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 0.00 126 F 8.36 3.84 0.00 3.11 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.18 3.72 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 0.00 0.00 0.00 128 K 9.08 4.17 0.00 1.89 1.91 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 129 L 7.72 3.67 0.00 1.13 1.22 0.48 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 7.90 4.08 0.00 3.02 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 0.00 131 Q 8.04 4.00 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 132 E 8.20 3.91 0.00 2.12 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 0.00 2.27 2.31 0.00 133 I 7.85 3.26 1.40 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.66 -0.67 0.00 0.00 134 D 8.05 3.74 0.00 2.66 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 0.00 135 T 7.94 3.84 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 1.24 0.00 0.00 136 A 7.57 3.96 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 0.00 137 W 7.48 4.74 0.00 3.41 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 0.00 138 R 8.24 4.36 0.00 1.87 2.19 0.00 3.30 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 139 N 8.59 4.55 0.00 2.82 2.85 0.00 0.00 7.12 8.12 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 0.00 140 S 8.38 4.22 0.00 3.89 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 0.00 141 D 8.12 4.44 0.00 2.67 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 0.00 142 A 8.22 3.34 1.41 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 0.00 0.00 0.00 143 E 8.30 3.61 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 144 G 8.14 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 0.00 0.00 0.00 145 H 9.21 4.26 0.00 3.34 3.44 0.00 5.78 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 8.15 4.23 0.00 3.15 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 H 7.85 4.79 0.00 3.15 3.24 0.00 5.66 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 0.00 148 H 8.54 4.20 0.00 3.24 3.27 0.00 5.87 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 8.25 5.03 0.00 3.26 3.30 0.00 5.62 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 0.00 150 H 7.78 4.19 0.00 2.93 2.96 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00