NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.1156 8.1631 110.9431 61.1093 70.6979 169.9431 4 G 4.1540 8.7840 120.2941 44.5752 0.0000 169.6493 5 G 3.8827 8.6166 118.5125 46.3376 0.0000 170.9314 6 M 4.1021 7.6182 120.1635 53.9892 33.3704 176.6641 7 A 4.2684 8.3068 128.3625 52.0336 19.5243 177.1764 8 S 4.4173 9.3459 115.6476 57.4196 63.1210 175.7516 9 K 3.7934 8.3332 124.2958 58.8251 32.3970 177.5724 10 W 4.8926 7.6854 118.0557 56.6829 29.8568 177.5552 11 D 4.7404 8.1595 122.4041 57.0317 40.1517 178.4273 12 Q 3.9702 8.0208 119.6662 58.7763 29.1450 177.7944 13 K 3.9934 8.0944 120.4576 59.4329 32.3252 178.8407 14 G 2.2513 7.8367 106.1116 47.6262 0.0000 175.4201 15 M 4.1419 7.7582 120.8626 58.2458 32.2104 178.0585 16 D 4.4311 8.2595 119.3553 57.2983 40.9279 178.8124 17 I 3.7149 7.8125 120.2338 64.2246 37.1248 178.2311 18 A 4.1094 8.1443 121.7025 55.4455 18.1527 179.0914 19 Y 4.1916 8.3800 118.1850 60.8918 38.8892 177.9625 20 E 3.7015 8.2968 119.5879 59.4318 29.2632 179.2557 21 E 3.9357 8.4048 118.4561 59.2100 29.4851 179.2585 22 A 3.9621 7.9295 120.9231 55.0425 18.3842 179.6903 23 L 3.8083 7.7825 117.6352 57.7835 41.6299 179.7374 24 L 3.9960 7.9179 119.0320 57.7423 41.4776 179.7792 25 G 3.5456 7.9514 105.7228 47.9020 0.0000 175.0687 26 Y 4.1545 8.1057 121.8773 60.5034 38.6134 178.3550 27 K 3.9887 8.1289 118.3321 58.9117 32.1845 178.2108 28 E 4.3592 7.7664 116.6258 56.0143 29.5713 177.1967 29 G 3.6632 7.7745 107.4406 45.5859 0.0000 173.7383 30 G 4.0606 7.6787 109.5548 43.0571 0.0000 173.4331 31 V 2.5533 8.1725 119.4802 61.7362 32.1947 175.8347 32 P 4.6736 0.0000 0.0000 62.1573 29.8097 175.4289 33 I 4.5254 7.4095 120.9293 60.2060 41.2659 176.0739 34 G 4.4073 8.6430 113.4949 44.6940 0.0000 170.6903 35 G 4.5316 8.7124 105.6952 46.8925 0.0000 171.9328 36 C 5.2634 8.4229 112.3957 57.3873 33.4294 172.6864 37 L 5.2677 8.8496 122.7464 53.5495 44.1019 175.0578 38 I 4.9321 8.7203 126.9846 59.3219 40.7040 174.3903 39 N 4.7626 8.8647 125.5888 53.1754 39.1033 175.8616 40 N 4.5309 8.9815 124.7881 55.9274 39.1404 176.7962 41 K 4.1872 8.5419 119.5737 58.9741 32.2278 177.1431 42 D 4.8048 7.6163 112.8900 52.1954 40.2955 176.2070 43 G 2.0000 7.7106 107.6428 44.9254 0.0000 174.1638 44 S 4.0041 7.8974 116.8707 58.3055 64.0850 173.8479 45 V 4.2398 8.0883 124.2358 62.0372 30.8893 175.6275 46 L 4.1057 9.1427 130.3484 57.4087 42.7120 177.4108 47 G 4.1048 7.7132 103.4907 45.9608 0.0000 172.6007 48 R 5.1406 8.2946 116.0999 54.9754 32.7825 174.0763 49 G 4.2237 8.6192 107.0815 44.4727 0.0000 171.1506 50 H 5.5703 8.4109 114.7019 53.4158 32.1387 172.6583 51 N 4.5064 8.7238 117.6997 54.3406 39.1603 174.4396 52 M 4.9805 8.7979 124.1942 54.2891 33.3452 177.7793 53 R 4.6960 9.0412 121.3198 59.1299 30.3140 178.9248 54 F 4.1022 8.3777 114.4195 60.3520 39.6451 177.0943 55 Q 4.2155 8.3857 119.2980 58.1475 28.6729 177.5207 56 K 4.5685 8.2321 113.9721 55.0528 33.2850 175.9396 57 G 3.8163 7.8500 106.6275 46.5463 0.0000 173.8535 58 S 4.5576 7.8419 113.0749 56.3160 63.8009 173.9090 59 A 4.4147 8.5362 129.6205 52.9109 19.1259 177.3387 60 T 4.4348 7.5848 103.5782 61.5087 71.3298 175.1915 61 L 4.3411 7.8766 124.7645 54.2827 39.9427 175.6570 62 H 5.0392 7.8413 119.5880 54.7753 31.4530 176.0893 63 G 3.8594 8.7343 108.4549 48.5416 0.0000 175.7268 64 E 4.0912 8.2147 120.5477 59.1212 29.4971 179.4065 65 I 3.8008 7.7634 119.4509 64.3740 37.2276 178.2364 66 S 4.0947 8.6162 114.4805 61.5434 61.9638 176.2678 67 T 3.8828 7.8086 117.4359 66.8223 68.6871 176.2237 68 L 4.1704 7.9713 120.7690 57.7756 41.7467 179.2256 69 E 4.0027 8.5604 119.5834 59.3244 29.4139 178.2710 70 N 4.5897 8.2012 114.5080 55.2487 38.7182 176.4449 71 C 4.5276 7.2531 118.9340 59.6198 28.6465 174.3942 72 G 3.8381 7.8380 108.0227 44.2272 0.0000 172.7341 73 R 4.1704 8.3167 117.8271 55.9735 30.3531 176.4473 74 L 4.8126 8.1799 121.9578 52.3277 45.6853 176.3345 75 E 4.1846 8.5119 120.7944 56.1404 30.1074 178.3109 76 G 4.1054 9.0906 109.3873 48.2445 0.0000 175.9758 77 K 4.1069 8.1655 120.3391 59.7202 32.1779 179.0834 78 V 3.4718 7.5926 118.9730 66.2896 30.8782 177.6604 79 Y 4.1315 7.4380 114.7571 60.8973 37.4488 178.5637 80 K 4.3155 7.9018 118.0508 58.1754 33.2828 176.2470 81 D 4.9025 8.0674 118.8041 53.5822 41.0078 173.1353 82 T 5.2353 7.5652 109.2208 60.3638 73.7653 173.8511 83 T 4.8557 8.7658 117.2560 61.6458 72.5568 172.9348 84 L 4.9326 8.5734 128.2714 53.8027 43.9556 174.4192 85 Y 5.1968 9.2288 124.4737 56.7146 40.3578 174.7163 86 T 5.1301 8.9701 118.0464 60.5726 70.4195 174.6620 87 T 4.2131 8.9601 118.0709 63.7522 70.0324 173.7999 88 L 5.0657 7.7008 123.4930 52.7512 45.5147 175.9849 89 S 4.3540 8.7462 120.4333 58.0162 62.7093 172.4557 90 P 4.7029 0.0000 0.0000 62.5034 31.7005 176.5972 91 C 4.8531 8.7059 116.6121 57.8748 32.4327 174.1366 92 D 4.4223 8.6752 119.1558 57.4424 40.2100 178.7543 93 M 4.0055 7.9777 118.5249 58.9849 32.4790 177.9738 94 C 4.2763 8.1251 116.3596 62.9783 28.3299 176.1002 95 T 4.0094 8.2878 117.7442 66.6273 68.0210 176.9126 96 G 3.6846 8.2042 107.4422 47.6140 0.0000 175.6572 97 A 3.9726 8.0346 123.0066 55.1177 18.5675 179.7616 98 I 3.7115 7.7516 118.3547 64.5447 37.1940 178.8496 99 I 3.6880 7.8084 120.5860 64.5022 36.7468 178.0667 100 M 3.9043 8.0563 118.1154 58.8561 32.1758 177.3457 101 Y 4.2910 7.7032 113.8847 57.8340 38.1955 175.9736 102 G 3.8632 7.7584 107.3793 46.3534 0.0000 173.9529 103 I 4.2281 7.9489 120.6583 59.7024 36.9983 174.4557 104 P 4.4508 0.0000 0.0000 65.1052 32.3603 176.4886 105 R 5.1012 7.8664 117.9740 54.1747 34.3159 174.4510 106 C 5.0194 8.9699 122.4601 57.7092 34.7417 172.5577 107 V 4.7513 8.3120 127.0072 61.3802 33.2099 174.2478 108 I 4.8482 9.1063 129.5972 59.6575 39.2998 176.8271 109 G 3.7548 9.3950 115.6763 48.9538 0.0000 173.0241 110 E 5.1932 7.9361 116.9649 54.5622 33.3668 174.6844 111 N 5.7014 8.4159 115.8361 51.7302 38.2758 175.8327 112 V 3.9297 8.3587 119.9709 66.3077 32.1092 176.9003 113 N 4.6166 8.7416 116.0598 55.5401 38.8214 175.0663 114 F 4.9690 7.7517 117.6864 57.3347 42.2579 172.5636 115 K 3.9702 7.2745 124.9857 55.5568 34.5059 174.7164 116 S 4.5719 7.7196 120.8565 56.2486 65.7426 174.4441 117 K 4.2916 8.3617 118.0312 58.2866 31.5488 179.4391 118 G 4.0239 8.2575 108.5872 46.9732 0.0000 175.3680 119 E 3.9392 7.8326 120.4839 59.2962 29.6113 178.9785 120 K 3.8510 8.0038 119.0537 59.4630 32.3129 177.9093 121 Y 4.2676 8.2312 119.9743 60.6918 38.5745 178.0533 122 L 3.8334 8.2700 120.1551 57.9781 41.7376 179.6071 123 Q 4.2490 7.4841 118.8957 58.7435 28.4244 178.8052 124 T 3.9313 7.8339 116.0224 66.3443 68.5141 175.9072 125 R 4.2380 7.5981 117.5070 55.9444 30.1878 177.3422 126 G 3.8836 7.9559 107.2960 45.4082 0.0000 173.4923 127 H 4.7833 8.2725 117.0786 54.7101 30.9800 173.8180 128 E 4.4254 8.9500 122.5936 55.2822 31.0367 174.9737 129 V 4.8269 8.4072 126.3789 61.0466 34.1351 174.5176 130 V 4.4093 8.7000 127.2591 61.0394 34.4130 174.0296 131 V 4.5928 8.4087 127.7991 61.3571 32.2740 175.3288 132 V 3.6531 9.0599 129.7885 62.8624 32.0913 175.4070 133 D 4.2451 7.8387 117.6638 55.0445 39.0697 173.8053 134 D 4.4534 8.5834 120.1922 53.8048 41.6405 176.4339 135 E 4.0084 8.7016 127.4839 59.2246 29.5495 179.5133 136 R 3.7508 7.9440 118.4518 59.2815 29.9710 178.8389 137 C 4.2003 7.8649 115.9277 62.6458 28.2231 175.7927 138 K 4.4745 7.8046 122.5160 59.0979 31.7868 178.9864 139 K 3.9524 8.3162 119.0187 59.1516 31.8736 179.2319 140 L 3.7294 7.7798 120.3010 58.2882 42.0117 178.7303 141 M 3.9055 8.1063 118.2881 58.4493 32.0915 178.0443 142 K 3.8548 8.1645 119.9207 59.4095 32.3005 178.5688 143 Q 3.9104 7.9952 119.9276 59.0012 28.9962 178.0029 144 F 4.3761 8.0084 121.2615 61.5643 39.2794 177.1631 145 I 3.7647 7.7589 118.1588 64.3794 36.8854 177.9256 146 D 4.4611 8.0855 119.3808 57.2177 40.7702 178.1378 147 E 4.1907 7.9083 116.6147 57.7271 31.6349 177.0545 148 R 4.4887 8.0188 117.7399 52.9002 30.8575 174.0320 149 P 4.2029 0.0000 0.0000 66.4253 31.4936 178.4975 150 Q 3.8438 7.7803 116.9850 58.5728 28.4326 178.1959 151 D 4.6855 8.0013 119.0178 56.8501 41.3005 178.1505 152 W 4.9906 8.2883 128.6868 60.8651 30.8015 177.9347 153 F 3.9951 8.5857 117.9638 60.6870 38.3135 177.2830 154 E 3.8920 8.4202 118.8314 59.3492 29.2205 178.3916 155 D 4.5079 7.8874 116.8177 56.0640 41.1963 176.6763 156 I 4.1205 6.7870 110.8951 60.0060 37.7506 175.5913 157 G 3.8405 7.7640 106.7787 47.0628 0.0000 174.3737 158 E 4.0336 8.4538 124.9900 56.0644 29.4814 176.0998 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 3 T 8.16 4.12 4.32 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 1.24 0.00 0.00 4 G 8.78 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 5 G 8.62 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 6 M 7.62 4.10 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 7 A 8.31 4.27 1.31 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 0.00 0.00 8 S 9.35 4.42 0.00 3.92 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 0.00 9 K 8.33 3.79 0.00 1.18 1.54 0.00 1.29 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.76 0.21 7.81 10 W 7.69 4.89 0.00 3.58 3.22 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 0.00 11 D 8.16 4.74 0.00 2.90 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 12 Q 8.02 3.97 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 13 K 8.09 3.99 0.00 1.97 2.09 0.00 1.98 0.00 0.00 1.95 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.54 7.81 14 G 7.84 2.25 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 0.00 0.00 0.00 15 M 7.76 4.14 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 16 D 8.26 4.43 0.00 2.93 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 17 I 7.81 3.71 1.95 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 1.44 0.71 0.91 0.00 0.00 18 A 8.14 4.11 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.38 4.19 0.00 3.07 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 20 E 8.30 3.70 0.00 2.20 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 2.66 0.00 21 E 8.40 3.94 0.00 2.19 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 2.50 2.68 0.00 22 A 7.93 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.78 3.81 0.00 1.58 1.54 0.35 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.92 4.00 0.00 1.67 1.59 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.95 3.55 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 0.00 0.00 0.00 26 Y 8.11 4.15 0.00 3.07 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 27 K 8.13 3.99 0.00 1.89 1.83 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.78 7.81 28 E 7.77 4.36 0.00 2.09 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 2.61 0.00 29 G 7.77 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 0.00 0.00 0.00 30 G 7.68 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.17 2.55 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 0.81 0.00 0.00 1.24 0.00 0.00 32 P 0.00 4.67 0.00 2.08 2.06 0.00 2.52 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 33 I 7.41 4.53 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.91 0.96 0.00 0.00 34 G 8.64 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 0.00 0.00 0.00 0.00 35 G 8.71 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 36 C 8.42 5.26 0.00 3.20 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 37 L 8.85 5.27 0.00 1.81 1.57 1.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.72 4.93 2.18 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.73 0.82 0.00 0.00 39 N 8.86 4.76 0.00 2.64 2.68 0.00 0.00 7.13 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.98 4.53 0.00 3.04 3.01 0.00 0.00 7.03 7.18 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 41 K 8.54 4.19 0.00 1.74 1.94 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.28 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.45 7.81 42 D 7.62 4.80 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.90 4.00 0.00 3.65 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 45 V 8.09 4.24 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 0.79 0.00 0.00 0.86 0.00 0.00 46 L 9.14 4.11 0.00 1.70 1.60 0.76 0.95 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 47 G 7.71 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 48 R 8.29 5.14 0.00 1.80 1.87 0.00 3.08 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 49 G 8.62 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 0.00 0.00 0.00 0.00 50 H 8.41 5.57 0.00 3.21 3.32 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.72 4.51 0.00 2.82 3.03 0.00 0.00 7.01 6.99 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 52 M 8.80 4.98 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.72 0.00 53 R 9.04 4.70 0.00 1.84 2.15 0.00 3.18 0.00 0.00 3.30 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.48 0.00 54 F 8.38 4.10 0.00 3.13 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 55 Q 8.39 4.22 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 56 K 8.23 4.57 0.00 1.82 1.78 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.35 7.81 57 G 7.85 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 0.00 0.00 0.00 58 S 7.84 4.56 0.00 3.85 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 59 A 8.54 4.41 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.58 4.43 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 1.18 0.00 0.00 61 L 7.88 4.34 0.00 1.75 1.69 0.93 0.91 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 62 H 7.84 5.04 0.00 3.21 3.27 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.73 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 64 E 8.21 4.09 0.00 2.15 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 0.00 2.48 2.54 0.00 65 I 7.76 3.80 2.17 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 1.58 1.11 0.97 0.00 0.00 66 S 8.62 4.09 0.00 3.90 4.05 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 67 T 7.81 3.88 4.49 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 1.28 0.00 0.00 68 L 7.97 4.17 0.00 1.92 1.76 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.56 4.00 0.00 2.21 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 2.32 2.41 0.00 70 N 8.20 4.59 0.00 2.88 2.86 0.00 0.00 7.10 7.19 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 71 C 7.25 4.53 0.00 3.15 2.92 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 0.00 0.00 0.00 72 G 7.84 3.84 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 0.00 0.00 0.00 73 R 8.32 4.17 0.00 1.83 1.93 0.00 3.18 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 74 L 8.18 4.81 0.00 1.14 1.16 0.34 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.51 4.18 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 76 G 9.09 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 0.00 0.00 0.00 77 K 8.17 4.11 0.00 2.05 2.12 0.00 1.38 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.57 7.81 78 V 7.59 3.47 1.71 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 0.77 0.00 0.00 0.79 0.00 0.00 79 Y 7.44 4.13 0.00 3.33 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 80 K 7.90 4.32 0.00 1.88 1.92 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.83 1.66 7.81 81 D 8.07 4.90 0.00 2.69 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 82 T 7.57 5.24 4.36 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 1.24 0.00 0.00 83 T 8.77 4.86 4.17 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 0.49 0.00 0.00 84 L 8.57 4.93 0.00 1.73 1.49 0.97 0.71 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 85 Y 9.23 5.20 0.00 2.95 2.92 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 0.00 0.00 0.00 86 T 8.97 5.13 4.32 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 1.32 0.00 0.00 87 T 8.96 4.21 4.31 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 1.36 0.00 0.00 88 L 7.70 5.07 0.00 1.59 1.60 1.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.75 4.35 0.00 4.00 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 90 P 0.00 4.70 0.00 2.31 2.22 0.00 3.50 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 91 C 8.71 4.85 0.00 3.42 3.40 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 92 D 8.68 4.42 0.00 2.80 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 93 M 7.98 4.01 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 94 C 8.13 4.28 0.00 3.12 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 95 T 8.29 4.01 4.54 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 1.42 0.00 0.00 96 G 8.20 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 0.00 0.00 0.00 97 A 8.03 3.97 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 98 I 7.75 3.71 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.28 0.86 0.00 0.00 99 I 7.81 3.69 1.99 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.95 0.87 0.00 0.00 100 M 8.06 3.90 0.00 1.65 2.01 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 101 Y 7.70 4.29 0.00 2.89 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 0.00 102 G 7.76 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 0.00 103 I 7.95 4.23 1.94 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 1.15 1.31 1.05 0.00 0.00 104 P 0.00 4.45 0.00 2.12 2.31 0.00 3.86 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 105 R 7.87 5.10 0.00 1.50 1.75 0.00 3.09 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 106 C 8.97 5.02 0.00 2.93 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 0.00 107 V 8.31 4.75 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 1.16 0.00 0.00 0.88 0.00 0.00 108 I 9.11 4.85 1.99 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 1.21 0.54 1.00 0.00 0.00 109 G 9.40 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 0.00 0.00 0.00 110 E 7.94 5.19 0.00 2.11 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 2.20 2.46 0.00 111 N 8.42 5.70 0.00 2.76 2.96 0.00 0.00 6.31 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 0.00 112 V 8.36 3.93 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 0.85 0.00 0.00 0.94 0.00 0.00 113 N 8.74 4.62 0.00 2.83 2.77 0.00 0.00 6.83 7.42 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 0.00 114 F 7.75 4.97 0.00 3.44 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 0.00 115 K 7.27 3.97 0.00 1.76 1.46 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.17 1.29 7.81 116 S 7.72 4.57 0.00 3.98 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 0.00 117 K 8.36 4.29 0.00 1.76 1.84 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.45 7.81 118 G 8.26 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 0.00 0.00 0.00 0.00 119 E 7.83 3.94 0.00 2.08 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 2.32 2.34 0.00 120 K 8.00 3.85 0.00 1.93 1.82 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.60 7.81 121 Y 8.23 4.27 0.00 3.17 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 0.00 122 L 8.27 3.83 0.00 1.91 1.68 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.48 4.25 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 124 T 7.83 3.93 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 1.24 0.00 0.00 125 R 7.60 4.24 0.00 1.67 1.80 0.00 3.09 0.00 0.00 2.87 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.94 0.00 126 G 7.96 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 0.00 127 H 8.27 4.78 0.00 3.17 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.95 4.43 0.00 2.04 1.81 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 2.26 2.25 0.00 129 V 8.41 4.83 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 0.85 0.00 0.00 0.94 0.00 0.00 130 V 8.70 4.41 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 0.92 0.00 0.00 0.94 0.00 0.00 131 V 8.41 4.59 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 0.85 0.00 0.00 0.95 0.00 0.00 132 V 9.06 3.65 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 0.76 0.00 0.00 0.99 0.00 0.00 133 D 7.84 4.25 0.00 2.84 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 0.00 134 D 8.58 4.45 0.00 2.63 2.49 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 0.00 135 E 8.70 4.01 0.00 1.95 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 2.36 2.31 0.00 136 R 7.94 3.75 0.00 1.19 1.06 0.00 2.76 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 137 C 7.86 4.20 0.00 3.08 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 0.00 138 K 7.80 4.47 0.00 1.81 1.91 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.51 7.81 139 K 8.32 3.95 0.00 1.82 1.80 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.57 7.81 140 L 7.78 3.73 0.00 1.87 1.89 0.25 0.55 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 0.00 141 M 8.11 3.91 0.00 2.34 1.92 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 142 K 8.16 3.85 0.00 1.97 1.93 0.00 1.56 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.47 7.81 143 Q 8.00 3.91 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 144 F 8.01 4.38 0.00 3.19 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 0.00 145 I 7.76 3.76 1.94 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.61 0.99 0.00 0.00 146 D 8.09 4.46 0.00 2.84 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 0.00 147 E 7.91 4.19 0.00 2.07 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 2.40 2.16 0.00 148 R 8.02 4.49 0.00 0.74 1.56 0.00 2.96 0.00 0.00 2.86 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.26 0.00 149 P 0.00 4.20 0.00 1.85 2.26 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 150 Q 7.78 3.84 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 151 D 8.00 4.69 0.00 2.82 3.22 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 0.00 152 W 8.29 4.99 0.00 3.65 3.40 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 0.00 153 F 8.59 4.00 0.00 3.18 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 0.00 154 E 8.42 3.89 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 155 D 7.89 4.51 0.00 2.90 2.69 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 0.00 156 I 6.79 4.12 1.56 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.41 -0.03 0.00 0.00 157 G 7.76 3.84 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 0.00 0.00 0.00 158 E 8.45 4.03 0.00 1.46 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 2.10 1.86 0.00