NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.1864 8.3144 120.1158 55.8127 33.4641 175.3354 5 V 3.3716 8.1131 123.6774 62.3482 32.1287 173.7619 6 Y 4.5612 8.8214 124.5900 57.5645 39.4029 175.5198 7 K 4.0358 8.1811 123.9144 56.6333 33.0161 176.7910 8 R 4.5469 8.4930 123.1851 54.3054 32.1474 174.7537 9 P 5.4172 0.0000 0.0000 62.8839 32.7460 175.2035 10 V 4.9343 7.8972 120.1454 62.1722 34.4818 174.3860 11 S 5.2922 9.3742 121.8826 57.0415 67.3933 172.5150 12 I 5.2748 8.8859 113.2682 59.0700 41.0497 174.1693 13 L 5.1769 9.2241 124.8538 53.4272 45.0019 175.1606 14 V 4.7183 8.9614 126.9377 61.0865 33.6822 175.0026 15 V 4.0416 8.7673 130.3462 62.5747 32.0386 174.6010 16 I 4.8732 8.2856 129.9041 60.6603 38.6431 174.7834 17 Y 5.6993 8.7684 123.6833 55.6054 42.3585 173.5107 18 A 4.6928 9.2195 122.6727 50.8701 19.8043 178.2205 19 Q 4.0948 9.4700 126.3304 59.4640 29.2940 177.5709 20 D 4.6359 7.9647 119.3197 56.0477 40.1495 179.0190 21 T 4.0586 8.0193 107.2781 60.8749 69.7571 175.2330 22 K 4.1848 8.2409 119.4586 57.2472 30.2470 175.8101 23 R 4.4937 7.9500 118.2132 56.2940 31.5333 175.5865 24 V 4.9266 9.2964 123.0965 61.1937 33.9333 174.4271 25 L 4.0110 8.6032 130.5573 54.8080 42.4417 175.7006 26 M 5.0642 9.0694 126.3329 53.4985 35.5289 174.7215 27 L 4.9892 9.0265 122.6179 52.8046 45.7634 175.3874 28 Q 3.4414 7.8570 124.8818 54.5447 29.7181 175.4416 29 R 4.2739 8.4787 126.5980 56.3391 30.8564 178.0313 30 R 4.1597 8.4219 117.6162 57.4158 30.5814 177.4727 31 D 4.4325 8.0490 117.7961 55.0411 40.0881 175.5591 32 D 4.7997 7.6799 119.9017 51.0617 41.6232 173.7797 33 P 4.6225 0.0000 0.0000 63.7421 31.5265 177.1912 34 D 4.6249 8.2547 117.1595 54.8226 41.3528 176.0972 35 F 4.9331 8.4372 123.6067 56.7527 39.9313 174.1311 36 W 5.3845 9.0544 126.5395 55.6053 31.3977 175.4602 37 Q 4.7538 9.1559 120.6161 55.1282 32.1006 174.0549 38 S 4.6031 8.9161 117.2301 57.7825 64.4837 174.2021 39 V 4.0052 8.2316 120.5469 63.2825 31.9004 175.2178 40 T 5.4378 7.8312 116.5506 58.9319 72.3354 172.7285 41 G 4.1427 7.8657 107.8156 46.0319 0.0000 172.6587 42 S 4.8657 8.6741 116.4641 58.0804 63.9405 174.6545 43 V 3.8978 8.4706 124.0280 61.9250 31.5256 176.0440 44 E 4.3267 9.0527 127.5501 55.2486 30.3036 176.2882 45 E 4.0734 8.4917 120.2449 58.4360 29.7786 178.0283 46 G 3.9590 9.0695 110.8939 45.3210 0.0000 172.6286 47 E 4.8805 7.7303 118.9593 54.4681 31.8639 176.7276 48 T 4.3389 8.7942 113.7533 60.6356 71.4061 175.9946 49 A 4.0149 8.4916 123.0990 55.1125 18.4499 178.1337 50 P 3.7720 0.0000 0.0000 65.7274 31.4205 178.7565 51 Q 3.9237 8.0460 116.5221 58.8836 28.5514 178.9013 52 A 4.1022 8.2674 121.7740 55.0123 18.4503 179.4467 53 A 3.7106 7.9692 119.6724 55.5806 18.3311 179.8266 54 M 3.9140 7.8904 117.1187 58.3536 31.9162 178.9610 55 R 3.8225 7.8913 118.8314 59.5966 30.0757 178.4943 56 E 3.9263 8.4708 118.7530 59.1954 29.4768 179.4882 57 V 3.5540 7.8289 118.3999 65.8141 31.6909 178.0548 58 K 4.1989 7.8708 120.6365 59.1348 31.8506 178.7292 59 E 3.9667 8.2711 118.0193 59.2763 29.2622 178.6136 60 E 4.3558 8.6059 118.6460 57.8996 28.7750 178.2271 61 V 4.6219 7.1964 107.6288 58.9928 33.4767 175.6566 62 T 4.1168 7.7862 114.0032 63.6556 65.9635 171.8154 63 I 4.1974 7.0715 122.2384 59.8030 38.5237 175.0520 64 D 4.8378 8.3755 125.7172 52.6808 40.9409 176.5719 65 V 3.5415 8.0751 126.7326 65.8741 31.7471 177.7031 66 V 3.5283 7.7009 117.0995 66.0427 31.3004 177.6513 67 A 4.0309 8.1567 119.1409 54.9810 18.3227 178.6375 68 E 4.1464 8.4281 114.5743 55.7975 30.1562 176.2040 69 Q 3.3647 7.8069 119.1711 56.8863 28.0742 173.3118 70 L 4.3710 7.9911 115.8436 53.7280 43.0833 176.7092 71 T 4.3700 8.0313 109.7691 59.6364 69.5847 173.6539 72 L 4.2233 8.4766 129.7012 54.7375 42.7661 175.8628 73 I 4.3452 8.9257 128.8877 60.2131 38.8805 174.6265 74 D 4.4082 8.7386 127.5284 53.7082 41.1091 175.8586 75 C 4.0628 8.2906 124.1661 59.4319 28.5503 173.7542 76 Q 3.3064 8.1342 117.8104 56.7654 26.6321 174.2054 77 R 4.5420 7.3195 114.3611 54.7816 34.7562 175.6567 78 T 4.7453 8.2144 119.3369 61.7663 71.9643 173.5690 79 V 4.5702 8.4279 118.2832 59.3792 36.2125 173.9873 80 E 5.1718 8.8650 122.1563 54.5113 32.2917 174.6285 81 F 5.4366 8.4632 120.4343 54.8812 42.2603 173.2340 82 E 4.5937 9.2019 121.2553 56.0907 30.0658 176.4512 83 I 3.9221 8.6512 129.2214 61.0721 37.9206 176.2374 84 F 4.6402 8.9826 125.2094 58.1794 39.3223 176.2587 85 S 4.2296 9.3248 120.1776 61.9010 62.6046 175.9019 86 H 4.6118 8.4134 113.3933 56.4995 28.2549 175.3115 87 L 4.7092 8.0716 119.6209 54.6075 43.1124 178.2108 88 R 4.1413 8.0311 120.2704 59.2306 30.1664 177.4016 89 H 4.6225 8.3318 110.7681 56.7954 28.9041 175.7662 90 R 4.3297 7.8756 118.5860 57.0202 30.3182 175.4196 91 Y 4.7647 7.7886 115.3629 55.2597 40.8620 175.4508 92 A 2.6158 7.7840 123.9332 51.0664 18.9699 175.5744 93 P 4.3787 0.0000 0.0000 64.5370 31.6960 177.1851 94 G 3.9131 8.9405 111.3262 45.1243 0.0000 173.4569 95 V 3.8316 7.4072 120.3698 62.7653 31.9462 175.4382 96 T 4.5621 8.3356 114.9879 60.8796 71.2032 173.3212 97 R 4.9032 7.9249 120.8893 54.3345 32.0672 174.9905 98 N 4.8427 8.6830 122.5447 51.8990 41.8169 173.0230 99 T 4.6297 8.3993 122.3613 61.7293 71.1919 172.9386 100 E 5.1384 9.2106 127.4778 54.5439 32.7738 174.5974 101 S 5.0491 9.3347 123.3804 57.1956 65.3647 173.0862 102 W 5.4737 8.5947 123.4330 55.4886 31.2202 175.3667 103 F 5.2371 9.2824 121.1575 56.1647 43.4517 173.3499 104 C 5.4924 9.1392 117.6080 58.2228 32.8846 173.3957 105 L 4.7652 8.9883 122.5759 53.9364 44.9379 174.5157 106 A 4.2055 8.3583 129.0394 50.3524 19.9319 176.2724 107 L 4.3904 8.5154 123.6621 53.4267 42.9137 176.5618 108 P 3.8602 0.0000 0.0000 66.0235 32.2425 175.5040 109 H 5.4676 7.5694 113.8643 53.0754 33.0961 173.5005 110 E 2.9095 8.2667 119.4217 56.3556 29.7244 176.6980 111 R 4.6904 7.8472 116.1255 54.4087 32.4420 174.5816 112 Q 4.3072 8.7589 120.3309 56.5341 29.5232 175.4803 113 I 4.1724 7.7634 125.5613 59.3919 38.9724 175.7250 114 V 3.9376 8.1972 125.5850 61.5161 30.7386 174.1505 115 F 5.4844 7.8984 121.3904 54.6162 39.7486 175.6448 116 T 4.5376 8.4945 114.2443 61.6294 68.6530 173.6315 117 E 4.6343 8.3356 116.3627 56.5715 31.6874 174.1998 118 H 4.9521 8.2020 114.8332 53.7902 32.0953 173.3027 119 L 4.5017 8.4510 119.8282 56.8084 42.3752 176.9242 120 A 3.9775 6.7463 118.1070 51.2472 22.2813 174.5075 121 Y 5.3506 7.8363 116.1098 55.5183 41.5658 174.7743 122 K 4.5836 9.2474 118.8709 54.6494 37.0978 175.4331 123 W 5.1965 8.9173 123.6508 55.7697 30.0125 175.7068 124 L 5.0803 8.9666 124.9608 52.2770 45.3627 176.3542 125 D 4.6655 8.7215 120.7534 53.2302 40.3895 176.9843 126 A 3.9798 8.8920 123.6638 55.2121 18.2305 178.3017 127 P 4.1432 0.0000 0.0000 65.6881 31.4544 178.4265 128 A 3.9310 8.1044 118.8714 55.2300 18.2153 179.5003 129 A 3.8699 8.2307 118.9798 55.3750 18.2749 179.7492 130 A 3.9461 8.2453 118.1339 55.2702 18.5024 179.4455 131 A 4.0880 8.1982 118.8554 54.8685 18.5135 179.3209 132 L 3.9792 7.7660 118.5236 57.3487 42.6320 177.6875 133 T 4.4312 7.0175 111.4919 61.5266 67.8178 174.2663 134 K 3.9696 8.4203 126.6544 58.4865 32.6705 177.7221 135 S 4.2627 7.9046 114.4851 56.8615 63.1106 174.5877 136 W 4.3096 8.6478 127.8820 59.6922 27.8699 178.4421 137 S 3.9588 6.6438 114.6167 61.0155 62.5365 175.7209 138 N 3.9906 7.9747 120.8447 56.1888 38.6766 176.6682 139 R 3.8482 8.0231 119.9973 59.5980 30.1943 178.2813 140 Q 4.1818 8.4732 119.3329 59.0941 29.0558 177.9467 141 A 3.3527 7.5789 122.1295 54.9435 18.1481 179.6151 142 I 3.5895 7.5602 118.2125 64.5067 37.1669 178.5110 143 E 3.8988 8.1262 119.3169 59.4786 29.1035 179.3217 144 Q 3.7413 8.0289 118.1856 58.5647 29.2873 177.2180 145 F 4.6155 8.1336 115.4506 57.4820 39.5916 176.1827 146 V 3.8936 7.2963 115.1802 64.2648 33.0170 177.1768 147 I 3.5462 7.8094 118.4842 64.2740 37.2656 177.1101 148 N 4.6479 8.3493 113.4226 53.3131 39.0533 175.2621 149 A 4.1240 7.3694 126.7021 52.5287 19.4125 176.0204 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 4 K 8.31 4.19 0.00 1.69 1.74 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.39 7.81 5 V 8.11 3.37 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 0.72 0.00 0.00 0.86 0.00 0.00 6 Y 8.82 4.56 0.00 2.98 2.70 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 7 K 8.18 4.04 0.00 0.79 1.02 0.00 1.33 0.00 0.00 1.11 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.18 7.81 8 R 8.49 4.55 0.00 1.78 1.86 0.00 3.30 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 9 P 0.00 5.42 0.00 2.15 2.21 0.00 3.84 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 2.05 1.81 0.00 10 V 7.90 4.93 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 1.09 0.00 0.00 0.92 0.00 0.00 11 S 9.37 5.29 0.00 4.05 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 12 I 8.89 5.27 1.98 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 1.05 0.82 1.10 0.00 0.00 13 L 9.22 5.18 0.00 2.03 1.73 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.96 4.72 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 0.91 0.00 0.00 0.88 0.00 0.00 15 V 8.77 4.04 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 1.03 0.00 0.00 0.81 0.00 0.00 16 I 8.29 4.87 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.97 0.00 0.00 17 Y 8.77 5.70 0.00 3.24 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 9.22 4.69 0.98 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 0.00 0.00 19 Q 9.47 4.09 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 20 D 7.96 4.64 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 21 T 8.02 4.06 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 1.15 0.00 0.00 22 K 8.24 4.18 0.00 1.98 1.98 0.00 1.76 0.00 0.00 2.13 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.56 7.81 23 R 7.95 4.49 0.00 2.06 2.22 0.00 3.42 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 24 V 9.30 4.93 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 1.00 0.00 0.00 25 L 8.60 4.01 0.00 0.51 1.21 -0.08 0.40 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 26 M 9.07 5.06 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 27 L 9.03 4.99 0.00 1.09 0.83 0.69 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.86 3.44 0.00 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.95 0.00 0.00 0.00 0.00 0.00 1.79 1.29 0.00 29 R 8.48 4.27 0.00 1.94 1.86 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 30 R 8.42 4.16 0.00 1.87 1.99 0.00 2.99 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 31 D 8.05 4.43 0.00 2.82 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 32 D 7.68 4.80 0.00 2.91 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 33 P 0.00 4.62 0.00 2.09 2.07 0.00 3.81 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 34 D 8.25 4.62 0.00 2.93 2.78 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 35 F 8.44 4.93 0.00 3.34 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 36 W 9.05 5.38 0.00 3.35 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 37 Q 9.16 4.75 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 38 S 8.92 4.60 0.00 3.73 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 39 V 8.23 4.01 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 0.97 0.00 0.00 0.87 0.00 0.00 40 T 7.83 5.44 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 41 G 7.87 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 42 S 8.67 4.87 0.00 3.88 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 43 V 8.47 3.90 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 0.78 0.00 0.00 0.96 0.00 0.00 44 E 9.05 4.33 0.00 2.02 1.83 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 2.30 2.40 0.00 45 E 8.49 4.07 0.00 1.95 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 2.33 0.00 46 G 9.07 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 0.00 0.00 0.00 47 E 7.73 4.88 0.00 2.13 1.83 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 2.22 2.19 0.00 48 T 8.79 4.34 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 1.22 0.00 0.00 49 A 8.49 4.01 1.60 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 50 P 0.00 3.77 0.00 2.19 2.19 0.00 3.63 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 2.23 2.51 0.00 51 Q 8.05 3.92 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 52 A 8.27 4.10 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 53 A 7.97 3.71 0.60 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 54 M 7.89 3.91 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 55 R 7.89 3.82 0.00 1.91 2.03 0.00 3.19 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 56 E 8.47 3.93 0.00 1.93 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 0.00 2.42 2.42 0.00 57 V 7.83 3.55 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 1.03 0.00 0.00 0.90 0.00 0.00 58 K 7.87 4.20 0.00 1.95 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.31 7.81 59 E 8.27 3.97 0.00 1.97 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 2.31 2.49 0.00 60 E 8.61 4.36 0.00 2.09 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 2.48 2.57 0.00 61 V 7.20 4.62 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 0.89 0.00 0.00 0.93 0.00 0.00 62 T 7.79 4.12 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 1.19 0.00 0.00 63 I 7.07 4.20 1.85 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 1.19 0.93 0.94 0.00 0.00 64 D 8.38 4.84 0.00 2.69 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 65 V 8.08 3.54 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 1.08 0.00 0.00 0.90 0.00 0.00 66 V 7.70 3.53 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 0.98 0.00 0.00 0.91 0.00 0.00 67 A 8.16 4.03 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 68 E 8.43 4.15 0.00 2.00 1.99 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 2.32 2.42 0.00 69 Q 7.81 3.36 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 70 L 7.99 4.37 0.00 1.64 1.57 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.03 4.37 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 72 L 8.48 4.22 0.00 1.64 1.65 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.93 4.35 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.95 0.00 0.00 74 D 8.74 4.41 0.00 2.80 2.58 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 75 C 8.29 4.06 0.00 2.74 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 0.00 0.00 0.00 0.00 76 Q 8.13 3.31 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 77 R 7.32 4.54 0.00 1.57 1.10 0.00 3.10 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.00 0.00 78 T 8.21 4.75 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 1.11 0.00 0.00 79 V 8.43 4.57 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 0.36 0.00 0.00 1.02 0.00 0.00 80 E 8.87 5.17 0.00 1.90 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 2.12 2.23 0.00 81 F 8.46 5.44 0.00 3.35 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 9.20 4.59 0.00 2.14 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 2.42 2.54 0.00 83 I 8.65 3.92 1.70 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.40 0.81 0.00 0.00 84 F 8.98 4.64 0.00 3.07 2.90 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 85 S 9.32 4.23 0.00 4.08 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 0.00 86 H 8.41 4.61 0.00 3.37 3.53 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.07 4.71 0.00 2.03 1.86 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.03 4.14 0.00 2.12 2.04 0.00 3.09 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 89 H 8.33 4.62 0.00 3.41 3.47 0.00 5.57 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.88 4.33 0.00 1.95 1.81 0.00 3.22 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 91 Y 7.79 4.76 0.00 2.95 2.76 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 92 A 7.78 2.62 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 93 P 0.00 4.38 0.00 2.03 2.03 0.00 3.53 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 2.07 2.14 0.00 94 G 8.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.41 3.83 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 0.69 0.00 0.00 0.89 0.00 0.00 96 T 8.34 4.56 4.46 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 1.20 0.00 0.00 97 R 7.92 4.90 0.00 1.60 1.78 0.00 3.44 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 98 N 8.68 4.84 0.00 2.26 1.52 0.00 0.00 6.75 6.77 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 99 T 8.40 4.63 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 1.19 0.00 0.00 100 E 9.21 5.14 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 2.57 2.47 0.00 101 S 9.33 5.05 0.00 3.97 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 W 8.59 5.47 0.00 3.05 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 0.00 103 F 9.28 5.24 0.00 3.08 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 0.00 104 C 9.14 5.49 0.00 2.94 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 0.00 105 L 8.99 4.77 0.00 1.71 1.46 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.36 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.52 4.39 0.00 1.67 1.57 1.17 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 3.86 0.00 1.85 2.20 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 2.02 1.96 0.00 109 H 7.57 5.47 0.00 2.92 3.05 0.00 5.76 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.27 2.91 0.00 1.43 1.12 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 1.47 1.74 0.00 111 R 7.85 4.69 0.00 1.93 1.88 0.00 3.12 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 112 Q 8.76 4.31 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 113 I 7.76 4.17 0.56 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 1.05 0.32 0.70 0.00 0.00 114 V 8.20 3.94 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 0.94 0.00 0.00 0.91 0.00 0.00 115 F 7.90 5.48 0.00 3.17 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 0.00 116 T 8.49 4.54 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 117 E 8.34 4.63 0.00 1.90 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 2.16 2.28 0.00 118 H 8.20 4.95 0.00 2.96 3.05 0.00 5.88 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.45 4.50 0.00 1.39 1.65 0.86 0.75 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 0.00 120 A 6.75 3.98 1.13 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 0.00 0.00 121 Y 7.84 5.35 0.00 2.80 2.53 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 0.00 122 K 9.25 4.58 0.00 1.47 1.56 0.00 0.67 0.00 0.00 1.27 0.00 0.00 2.71 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.38 7.81 123 W 8.92 5.20 0.00 3.22 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 0.00 124 L 8.97 5.08 0.00 1.55 1.49 0.70 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.72 4.67 0.00 2.91 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 0.00 126 A 8.89 3.98 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.14 0.00 2.16 2.11 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 128 A 8.10 3.93 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 0.00 129 A 8.23 3.87 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 0.00 130 A 8.25 3.95 1.35 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 0.00 131 A 8.20 4.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.77 3.98 0.00 1.60 1.82 0.66 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 133 T 7.02 4.43 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 1.37 0.00 0.00 134 K 8.42 3.97 0.00 0.79 1.50 0.00 1.36 0.00 0.00 1.25 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.20 7.81 135 S 7.90 4.26 0.00 3.98 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 0.00 136 W 8.65 4.31 0.00 3.58 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 6.64 3.96 0.00 4.21 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 0.00 138 N 7.97 3.99 0.00 2.74 2.92 0.00 0.00 6.85 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.02 3.85 0.00 2.06 2.25 0.00 3.24 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 140 Q 8.47 4.18 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.78 2.62 0.00 141 A 7.58 3.35 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.56 3.59 1.95 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 1.49 0.63 0.93 0.00 0.00 143 E 8.13 3.90 0.00 2.20 1.99 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 2.32 2.44 0.00 144 Q 8.03 3.74 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 1.33 2.11 0.00 145 F 8.13 4.62 0.00 3.13 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 0.00 146 V 7.30 3.89 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 0.90 0.00 0.00 0.58 0.00 0.00 147 I 7.81 3.55 1.98 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 1.49 0.61 0.88 0.00 0.00 148 N 8.35 4.65 0.00 2.64 2.79 0.00 0.00 6.87 7.21 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 0.00 149 A 7.37 4.12 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