NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 H 4.5566 8.4444 117.8444 55.2710 30.0308 171.4027 10 M 4.0203 8.6814 123.2891 53.2229 31.6201 173.9682 11 P 4.5716 0.0000 0.0000 62.3860 34.0266 174.7802 12 E 4.3762 8.4968 115.3510 57.4133 30.6396 176.3272 13 R 4.6326 7.5130 117.0780 54.3667 31.9461 175.7392 14 F 4.7265 8.7673 121.1798 56.0898 42.7704 173.8967 15 D 4.7461 9.1660 117.9375 55.6495 41.9048 176.2047 16 A 5.7828 7.5176 116.7749 49.9837 23.7397 173.2276 17 F 4.9792 8.7384 119.7727 56.5326 43.1116 173.7941 18 I 4.5279 6.7938 124.7320 59.8614 38.7842 175.4524 19 C 4.7455 9.3143 127.0252 58.1840 29.1217 172.4447 20 Y 5.5070 7.6867 120.8606 55.4025 40.9857 174.2990 21 C 4.9021 8.2624 115.9332 57.1739 30.6450 173.3123 22 P 4.4593 0.0000 0.0000 63.8564 31.1107 177.5414 23 S 4.2171 7.3231 114.2573 61.2633 63.9789 174.7786 24 D 4.6759 7.0924 120.2425 51.7514 41.3690 176.1860 25 I 3.4740 7.6700 121.6910 63.9953 38.4757 175.9739 26 Q 3.9188 8.0869 118.5991 59.2453 28.5714 179.2472 27 F 4.2322 8.1392 120.6662 61.2132 39.5235 177.0257 28 V 3.6689 7.5095 117.0498 66.1991 31.4445 177.6708 29 Q 4.0612 8.4889 117.6072 59.7079 28.1425 178.8135 30 E 3.8798 7.9473 119.6472 59.2672 29.2362 179.0873 31 M 3.7876 7.3760 116.6049 58.5151 32.5773 178.0286 32 I 3.8198 8.0977 120.5825 64.4785 37.3658 178.4576 33 R 4.1061 8.4806 117.1708 59.6608 28.8151 178.3420 34 Q 3.9333 7.6337 118.1656 58.0837 29.0918 177.3480 35 L 4.1675 7.9737 120.7460 57.0737 41.6152 178.7935 36 E 4.0894 8.0132 116.9013 59.0769 30.0021 178.3600 37 Q 4.2644 7.8182 116.1678 57.0381 29.0518 176.5411 38 T 4.0509 7.1015 110.5848 61.8986 70.3431 173.5426 39 N 4.5318 8.5651 117.1479 56.7359 38.7502 176.1207 40 Y 4.1733 7.9132 113.6825 57.8751 38.4662 176.9031 41 R 4.2177 8.1709 121.9178 55.4799 28.6497 174.6438 42 L 4.7565 8.0580 123.0762 52.8607 44.1824 176.0624 43 K 3.5604 8.3634 124.4307 54.4800 34.4368 175.1745 44 L 4.9855 7.5074 124.1411 53.2389 44.3031 175.3044 45 C 4.8514 8.3325 117.6700 58.2499 32.7732 172.8595 46 V 3.8263 7.4949 111.4595 59.9373 35.5747 176.8219 47 S 4.2931 8.4958 114.9730 61.3614 62.9868 173.1982 48 D 4.4970 7.4828 116.5452 53.7846 43.8636 174.1625 49 R 4.3844 8.2628 116.3249 57.6208 31.0628 178.2437 50 D 4.3742 8.2492 116.6480 57.2031 41.2748 177.6262 51 V 3.7628 7.8816 117.6150 64.8444 31.8503 175.9242 52 L 4.5505 7.4394 120.8513 52.0644 40.4475 174.2492 53 P 4.3653 0.0000 0.0000 62.7789 31.7973 175.5308 54 G 4.1037 8.0088 109.4731 45.3272 0.0000 173.8995 55 T 4.6841 7.3250 114.2058 58.7214 71.3484 173.6749 56 C 4.1623 8.5885 119.7833 58.6332 29.8632 173.2951 57 V 4.4621 7.8958 115.3126 58.9745 35.1338 174.2297 58 W 4.4302 8.7321 130.6370 57.5094 30.4612 175.2478 59 S 4.9596 8.4758 120.5020 57.6075 66.8950 172.8126 60 I 4.5218 7.9525 119.3956 59.7368 41.2512 173.9762 61 A 4.2853 8.5563 128.7593 51.9259 18.9927 179.0176 62 S 3.8892 8.9014 117.6929 60.5288 63.1120 175.3305 63 E 4.1975 7.9938 117.0286 57.5730 30.1062 176.9929 64 L 4.4833 7.8386 118.8739 54.8895 41.8178 178.5257 65 I 3.8336 7.4387 121.0996 64.3561 37.2457 177.9602 66 E 4.1182 8.0564 116.5557 58.0517 29.9478 177.5676 67 K 4.3244 7.9912 118.0445 58.1418 33.3051 177.2813 68 R 4.4160 8.4243 116.4713 58.1856 31.0102 176.8228 69 C 4.3287 7.6608 114.6752 60.7309 28.8695 174.0814 70 R 4.4785 8.7724 122.5351 57.8526 31.0947 176.3031 71 R 4.8442 8.0555 113.7575 54.5084 33.3108 174.1859 72 M 5.3104 9.1854 117.6554 53.6587 36.6915 175.4531 73 V 4.6919 9.2118 121.4640 61.2017 33.4586 174.2757 74 V 4.4419 8.5416 127.7288 61.9856 33.3412 174.9317 75 V 5.1562 8.6818 127.2830 60.4941 32.0829 174.7755 76 V 4.0882 8.0633 126.3024 60.2856 31.0778 175.3275 77 S 4.4706 7.6831 122.8094 56.4598 66.9001 174.4678 78 D 4.5441 8.9083 122.3713 58.2235 40.4685 179.3342 79 D 4.6934 8.2889 115.8378 56.3741 40.9828 177.2891 80 Y 4.3889 8.8784 117.7232 60.0455 38.8666 177.3006 81 L 4.3209 8.0391 119.7869 57.3218 41.7787 178.9158 82 Q 4.1691 8.0643 116.7036 57.6039 28.7963 176.4934 83 S 4.7904 7.0558 114.5485 56.3729 64.4277 174.7858 84 K 4.2502 8.4230 123.9755 59.5396 32.5719 178.8893 85 E 4.0557 7.9569 120.3758 59.8769 29.3301 178.9978 86 C 4.3678 7.9520 115.1874 62.5830 28.2630 175.6892 87 D 4.4832 8.2475 120.7668 57.3202 40.4242 178.6694 88 F 4.2439 8.2284 120.7000 61.3580 39.5560 176.9219 89 Q 4.0356 8.1740 118.7731 59.7188 28.5533 177.9862 90 T 3.9084 8.6493 117.4054 66.2798 68.3177 176.4838 91 K 3.8344 8.2301 120.4885 59.5517 31.9803 178.6220 92 F 4.4058 7.7886 118.5222 59.6020 39.6033 176.8015 93 A 4.2088 8.0388 119.8769 53.3159 19.0182 178.9845 94 L 3.9888 9.2277 118.2700 57.7445 42.1081 178.4757 95 S 4.6376 7.2019 112.4540 56.5450 61.8391 173.5217 96 L 3.7656 6.7045 121.2790 57.1165 41.4708 177.4846 97 S 4.7206 7.2876 115.6827 54.8506 67.4385 173.6202 98 P 4.5288 0.0000 0.0000 59.9504 28.8840 175.4676 99 G 3.8803 7.6935 117.9469 46.5976 0.0000 171.5107 100 A 4.7040 7.6715 119.4212 51.2371 19.4209 177.8023 101 H 4.3361 8.4543 122.7941 59.6828 30.7387 176.3558 102 Q 4.8185 7.6699 115.2761 55.9999 28.7862 176.0672 103 K 4.2622 8.2731 119.9417 58.2189 33.4963 177.5414 104 R 4.6361 7.9594 116.4016 56.3731 32.9274 175.9832 105 L 5.6540 8.0508 118.2500 53.5275 43.3923 175.9506 106 I 4.9821 7.9777 113.9977 58.6123 40.6325 172.6789 107 P 4.8528 0.0000 0.0000 63.0295 32.9239 175.1782 108 I 4.7868 8.5414 121.2442 60.4660 41.9264 173.7126 109 K 4.5732 8.1864 121.1375 56.4451 35.7528 175.5069 110 Y 4.4647 8.2434 118.7507 56.3015 38.4711 174.9996 111 K 4.1313 6.7804 118.2635 56.2650 34.1327 174.0733 112 A 4.0730 8.1822 122.1836 51.8493 18.5799 177.2060 113 M 4.3405 8.3345 121.4744 54.5553 32.4695 177.4494 114 K 3.8955 8.9966 125.8630 57.5960 32.9280 176.3363 115 K 4.8167 7.2345 117.7757 55.8227 34.7200 175.7138 116 E 4.0432 8.5567 117.7650 56.5206 30.1857 175.7741 117 F 5.0026 6.9606 115.6543 54.4080 40.1522 173.8876 118 P 4.6039 0.0000 0.0000 62.2940 32.6877 176.5244 119 S 4.9125 8.3125 116.3506 58.6553 60.3934 173.0460 120 I 4.7462 7.6371 120.6326 62.1138 43.6893 176.8565 121 L 4.8555 7.5153 119.2617 55.1041 40.7671 177.8790 122 R 4.1202 8.1364 118.0443 60.5134 29.1200 176.9303 123 F 4.7184 7.6128 116.3648 57.2254 40.3306 173.4121 124 I 4.7149 7.6839 113.1376 58.6036 39.3736 174.3749 125 T 3.9842 8.3062 117.0485 64.5277 67.9651 173.8512 126 V 4.4318 8.0482 125.6009 59.7369 34.1391 175.0931 127 C 3.8124 8.2470 125.1001 57.5784 32.6854 171.4827 128 D 4.9319 7.5318 125.1801 51.2162 44.2820 175.0386 129 Y 4.7949 8.0297 122.5417 58.5674 35.1826 174.8512 130 T 4.2409 8.2239 117.3221 63.8937 69.1437 175.5343 131 N 4.9956 7.9012 117.8965 50.7847 40.1255 173.7320 132 P 4.2596 0.0000 0.0000 65.8629 32.1581 178.5616 133 C 3.7144 8.0749 117.0809 62.0337 31.3708 174.1405 134 T 4.4070 7.6339 110.6266 62.5762 69.1684 175.0456 135 K 4.2158 8.6780 119.5222 57.2452 32.1627 178.4381 136 S 3.2732 8.0304 115.2058 61.3314 61.9518 176.0116 137 W 4.5269 7.7721 120.5747 59.2874 28.6878 177.6617 138 F 4.0399 8.9689 119.2530 60.7819 38.3917 177.5981 139 W 4.6896 8.3232 118.2002 60.2927 28.8308 178.5948 140 T 4.1365 9.0392 116.2192 66.3508 68.0223 177.1544 141 R 3.9465 8.0728 119.6707 59.4165 30.3224 178.6937 142 L 4.0963 8.2680 119.7252 57.8947 42.0834 178.7518 143 A 4.0872 8.0566 120.7870 54.5701 18.1879 179.3724 144 K 3.9335 8.6821 117.2230 59.0976 32.8562 178.8103 145 A 4.2621 7.7575 120.6076 53.9244 18.6222 178.7363 146 L 4.3338 7.7111 116.6173 55.7760 42.8136 177.0351 147 S 4.9790 7.5365 111.9562 57.4392 63.1590 174.9879 148 L 4.3166 8.4459 121.8130 57.7967 42.0799 176.1211 149 P 4.4583 0.0000 0.0000 62.9742 31.4296 175.8868 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 9 H 8.44 4.56 0.00 3.11 3.32 0.00 5.73 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 10 M 8.68 4.02 0.00 2.18 2.22 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 2.93 3.07 0.00 11 P 0.00 4.57 0.00 1.92 2.00 0.00 4.15 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.91 0.00 12 E 8.50 4.38 0.00 1.93 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 2.26 2.31 0.00 13 R 7.51 4.63 0.00 1.55 1.80 0.00 3.12 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 14 F 8.77 4.73 0.00 2.95 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 15 D 9.17 4.75 0.00 2.84 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 16 A 7.52 5.78 1.21 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 0.00 0.00 17 F 8.74 4.98 0.00 3.00 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 18 I 6.79 4.53 1.40 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 1.09 0.93 0.85 0.00 0.00 19 C 9.31 4.75 0.00 2.93 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 20 Y 7.69 5.51 0.00 3.04 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 21 C 8.26 4.90 0.00 1.92 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.46 0.00 2.14 2.15 0.00 3.71 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 1.95 1.95 0.00 23 S 7.32 4.22 0.00 3.99 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 24 D 7.09 4.68 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 25 I 7.67 3.47 1.62 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.12 0.72 0.00 0.00 26 Q 8.09 3.92 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 27 F 8.14 4.23 0.00 3.03 3.26 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 28 V 7.51 3.67 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 1.36 0.00 0.00 1.37 0.00 0.00 29 Q 8.49 4.06 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 30 E 7.95 3.88 0.00 2.22 1.85 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 2.26 2.30 0.00 31 M 7.38 3.79 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.67 0.00 32 I 8.10 3.82 2.01 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 1.80 0.90 0.88 0.00 0.00 33 R 8.48 4.11 0.00 2.04 2.23 0.00 2.79 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 34 Q 7.63 3.93 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 1.71 2.13 0.00 35 L 7.97 4.17 0.00 1.88 1.66 0.99 0.80 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 36 E 8.01 4.09 0.00 2.11 1.93 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 2.52 2.59 0.00 37 Q 7.82 4.26 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 38 T 7.10 4.05 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 1.25 0.00 0.00 39 N 8.57 4.53 0.00 2.91 3.03 0.00 0.00 6.94 7.52 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 40 Y 7.91 4.17 0.00 2.87 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 0.00 41 R 8.17 4.22 0.00 1.77 1.91 0.00 3.09 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 42 L 8.06 4.76 0.00 1.59 1.49 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.36 3.56 0.00 1.57 1.42 0.00 2.00 0.00 0.00 1.13 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.52 7.81 44 L 7.51 4.99 0.00 1.29 1.40 0.87 0.86 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 45 C 8.33 4.85 0.00 2.74 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 46 V 7.49 3.83 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 0.78 0.00 0.00 1.12 0.00 0.00 47 S 8.50 4.29 0.00 4.08 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.48 4.50 0.00 2.63 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 49 R 8.26 4.38 0.00 1.93 1.96 0.00 3.22 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 50 D 8.25 4.37 0.00 2.63 2.74 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 51 V 7.88 3.76 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 0.78 0.00 0.00 1.04 0.00 0.00 52 L 7.44 4.55 0.00 1.68 1.60 1.02 0.93 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 53 P 0.00 4.37 0.00 2.17 2.04 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 54 G 8.01 4.10 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 0.00 0.00 0.00 55 T 7.32 4.68 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 1.20 0.00 0.00 56 C 8.59 4.16 0.00 3.08 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 57 V 7.90 4.46 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 0.92 0.00 0.00 0.99 0.00 0.00 58 W 8.73 4.43 0.00 3.59 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 59 S 8.48 4.96 0.00 3.79 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 60 I 7.95 4.52 1.46 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.19 1.04 0.00 0.00 61 A 8.56 4.29 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 62 S 8.90 3.89 0.00 3.81 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 63 E 7.99 4.20 0.00 2.08 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 0.00 2.25 2.33 0.00 64 L 7.84 4.48 0.00 1.77 1.82 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.44 3.83 1.68 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 0.99 0.85 0.72 0.00 0.00 66 E 8.06 4.12 0.00 2.05 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 2.33 2.36 0.00 67 K 7.99 4.32 0.00 1.80 1.92 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.72 7.81 68 R 8.42 4.42 0.00 2.16 2.44 0.00 3.69 0.00 0.00 3.54 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 69 C 7.66 4.33 0.00 3.14 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 70 R 8.77 4.48 0.00 1.86 2.00 0.00 3.33 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 71 R 8.06 4.84 0.00 1.98 2.04 0.00 2.90 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 72 M 9.19 5.31 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 73 V 9.21 4.69 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 1.02 0.00 0.00 0.94 0.00 0.00 74 V 8.54 4.44 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 1.03 0.00 0.00 0.97 0.00 0.00 75 V 8.68 5.16 2.38 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 0.67 0.00 0.00 1.15 0.00 0.00 76 V 8.06 4.09 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 0.73 0.00 0.00 0.95 0.00 0.00 77 S 7.68 4.47 0.00 3.61 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 78 D 8.91 4.54 0.00 2.73 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 79 D 8.29 4.69 0.00 2.95 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 80 Y 8.88 4.39 0.00 3.10 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 81 L 8.04 4.32 0.00 1.88 1.76 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.06 4.17 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 83 S 7.06 4.79 0.00 3.96 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 84 K 8.42 4.25 0.00 2.06 2.08 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.52 7.81 85 E 7.96 4.06 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 86 C 7.95 4.37 0.00 3.41 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 87 D 8.25 4.48 0.00 3.00 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 F 8.23 4.24 0.00 3.09 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 89 Q 8.17 4.04 0.00 2.45 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 90 T 8.65 3.91 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 1.24 0.00 0.00 91 K 8.23 3.83 0.00 1.83 1.88 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.54 7.81 92 F 7.79 4.41 0.00 2.56 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 93 A 8.04 4.21 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 94 L 9.23 3.99 0.00 1.78 2.00 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.20 4.64 0.00 3.99 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 96 L 6.70 3.77 0.00 1.50 1.27 0.81 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.29 4.72 0.00 3.73 3.70 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 98 P 0.00 4.53 0.00 2.16 2.07 0.00 3.71 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 1.96 1.94 0.00 99 G 7.69 3.88 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 0.00 0.00 0.00 100 A 7.67 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 H 8.45 4.34 0.00 3.09 3.34 0.00 5.93 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 0.00 102 Q 7.67 4.82 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.49 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 103 K 8.27 4.26 0.00 1.73 1.89 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.50 7.81 104 R 7.96 4.64 0.00 1.70 2.06 0.00 3.08 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 105 L 8.05 5.65 0.00 1.71 1.77 0.93 0.67 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 0.00 106 I 7.98 4.98 1.86 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 1.41 1.02 0.91 0.00 0.00 107 P 0.00 4.85 0.00 2.08 2.19 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.97 0.00 108 I 8.54 4.79 1.83 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 1.23 0.52 0.86 0.00 0.00 109 K 8.19 4.57 0.00 1.42 1.65 0.00 1.35 0.00 0.00 1.49 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.10 1.46 7.81 110 Y 8.24 4.46 0.00 2.95 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 0.00 111 K 6.78 4.13 0.00 1.72 1.77 0.00 0.61 0.00 0.00 2.11 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.95 0.21 7.81 112 A 8.18 4.07 1.20 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 0.00 0.00 0.00 0.00 0.00 113 M 8.33 4.34 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 114 K 9.00 3.90 0.00 1.81 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.43 7.81 115 K 7.23 4.82 0.00 1.69 1.83 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.83 7.81 116 E 8.56 4.04 0.00 1.85 1.59 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 2.24 2.12 0.00 117 F 6.96 5.00 0.00 3.16 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 0.00 118 P 0.00 4.60 0.00 2.30 2.26 0.00 3.85 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 2.14 2.05 0.00 119 S 8.31 4.91 0.00 3.92 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 0.00 120 I 7.64 4.75 1.93 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 0.73 0.94 0.00 0.00 121 L 7.52 4.86 0.00 1.63 1.69 0.96 1.08 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 0.00 122 R 8.14 4.12 0.00 2.03 2.28 0.00 3.12 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 123 F 7.61 4.72 0.00 2.77 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 0.00 124 I 7.68 4.71 1.93 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 1.42 0.82 0.95 0.00 0.00 125 T 8.31 3.98 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 1.21 0.00 0.00 126 V 8.05 4.43 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 0.53 0.00 0.00 0.77 0.00 0.00 127 C 8.25 3.81 0.00 2.58 2.51 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 0.00 128 D 7.53 4.93 0.00 2.57 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 8.03 4.79 0.00 2.90 2.79 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 0.00 130 T 8.22 4.24 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 1.35 0.00 0.00 131 N 7.90 5.00 0.00 2.87 2.72 0.00 0.00 7.13 8.04 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 0.00 132 P 0.00 4.26 0.00 1.96 1.78 0.00 3.63 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 1.95 2.18 0.00 133 C 8.07 3.71 0.00 2.88 2.97 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 0.00 134 T 7.63 4.41 4.27 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 1.32 0.00 0.00 135 K 8.68 4.22 0.00 1.98 2.09 0.00 1.87 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.61 7.81 136 S 8.03 3.27 0.00 3.57 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 0.00 137 W 7.77 4.53 0.00 3.33 3.14 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 0.00 138 F 8.97 4.04 0.00 3.10 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 0.00 139 W 8.32 4.69 0.00 3.67 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 0.00 140 T 9.04 4.14 4.52 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 1.22 0.00 0.00 141 R 8.07 3.95 0.00 2.25 2.10 0.00 2.75 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 142 L 8.27 4.10 0.00 1.92 1.78 0.96 1.43 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 0.00 143 A 8.06 4.09 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 0.00 144 K 8.68 3.93 0.00 1.80 1.95 0.00 1.24 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.62 7.81 145 A 7.76 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.71 4.33 0.00 1.80 1.74 1.01 0.57 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 0.00 147 S 7.54 4.98 0.00 4.23 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 0.00 148 L 8.45 4.32 0.00 1.68 1.81 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.46 0.00 2.19 2.05 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00