NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.6468 8.3044 120.2869 55.3226 33.8295 174.1417 3 V 4.0267 8.8880 123.6404 59.7906 32.6143 173.3483 4 W 4.5082 9.0500 135.0000 57.2939 31.8515 174.8033 5 T 4.0088 8.0150 122.1839 61.4272 67.1712 172.3205 6 P 4.5854 0.0000 0.0000 62.9323 32.2686 175.4472 7 V 3.9511 7.3828 120.3029 62.8740 32.5176 175.5076 8 N 4.2537 8.6355 126.0036 55.0164 36.0061 173.4788 9 N 5.0630 7.5308 108.4426 52.7792 40.1856 174.2392 10 K 4.0624 8.2989 116.2356 56.7225 32.7620 176.6436 11 M 4.9816 8.3994 121.1464 53.9518 35.1102 175.3002 12 F 4.6244 8.3035 116.7294 57.1864 41.0332 176.4471 13 E 3.5511 8.2988 121.2494 56.8548 27.5346 174.9126 14 T 3.7704 8.4454 121.2082 66.7940 68.7246 173.9911 15 F 4.5139 9.1060 124.4635 57.6018 36.6606 176.3447 16 S 4.5203 8.3286 114.5558 60.0401 63.0086 174.3513 17 Y 4.4203 8.2436 117.5767 58.0274 38.3126 175.1120 18 L 4.7466 7.5290 120.1987 52.1188 43.7894 174.5645 19 P 4.4690 0.0000 0.0000 61.6503 31.8376 174.9452 20 P 4.1998 0.0000 0.0000 63.0123 31.6570 176.4758 21 L 4.1814 8.3930 123.3933 54.6917 42.2439 177.9290 22 S 4.4689 9.4656 119.2879 57.7801 65.4029 175.1435 23 D 4.3777 8.5404 121.6807 57.3553 40.4572 178.8381 24 E 3.9189 8.0492 119.4839 59.4530 29.7478 178.7168 25 Q 3.9533 7.9406 117.8401 58.8648 28.6842 178.9884 26 I 3.7547 7.9501 120.7687 64.3216 37.2087 178.2373 27 A 4.0645 8.2134 121.4306 55.1436 18.2684 179.5567 28 A 4.1230 8.1400 119.3361 55.4905 18.3642 179.9347 29 Q 4.1489 7.9516 116.3139 58.9962 28.7683 179.0287 30 V 3.8056 8.0593 119.5701 66.0144 31.5754 177.8853 31 D 4.4401 8.3777 118.9062 57.3775 40.4776 178.0661 32 Y 4.3250 8.0708 119.9469 60.5586 38.7836 178.1147 33 I 3.9871 7.7666 120.5494 64.4912 37.2633 178.5895 34 V 3.5286 7.7907 118.7732 65.9892 31.1707 177.8041 35 A 3.8792 8.2016 119.6439 54.6503 18.2295 178.3330 36 N 4.0986 7.0493 112.1906 51.8382 38.7857 175.3124 37 G 3.7445 7.5021 108.4251 46.3366 0.0000 174.1798 38 W 4.9303 7.7055 118.6861 55.6489 31.1575 176.7205 39 I 4.4159 8.9687 123.4187 59.4306 37.4321 174.1080 40 P 4.8258 0.0000 0.0000 63.2539 32.9159 174.8518 41 C 4.9686 8.7968 119.1906 58.6958 35.6142 172.3936 42 L 5.3115 8.5969 124.2545 53.2337 44.4556 175.1798 43 E 5.6101 9.0795 120.8648 54.9676 34.2103 174.5234 44 F 5.6157 9.4291 116.5388 55.9501 42.1972 172.9633 45 A 4.4485 8.1107 119.5986 50.3692 22.6058 176.2919 46 E 4.3785 8.5043 118.7094 55.7683 30.9045 177.9485 47 S 4.3866 9.0144 116.1311 62.3393 62.8901 176.8962 48 D 4.5781 8.1517 116.9573 56.0994 40.7336 176.9998 49 K 4.6198 7.8995 117.6393 56.0437 32.6298 177.0665 50 A 3.8199 7.7036 124.5874 54.2636 18.5061 178.4232 51 Y 4.7272 7.3911 110.8964 55.6468 40.5941 176.1093 52 V 4.4608 8.3974 114.9880 61.6757 32.2423 175.5646 53 S 4.6828 8.3035 115.5965 58.0034 65.9806 173.9371 54 N 5.2034 8.5391 113.8714 52.9280 39.5292 176.3362 55 E 3.8683 8.4568 119.7708 60.2058 29.4069 179.6174 56 S 3.9810 8.6613 114.3172 61.3459 62.7704 176.4961 57 A 2.5800 7.5531 123.1636 54.0604 17.6958 179.2221 58 I 3.5026 7.1084 116.4660 63.6972 38.0503 177.1487 59 R 4.3315 7.6930 116.5999 55.5211 30.4406 176.2725 60 F 4.9956 7.3916 118.4388 56.2775 41.1859 176.5357 61 G 4.0858 8.1593 114.1152 45.9229 0.0000 175.1644 62 S 4.6079 8.4265 113.3827 58.7359 62.1625 174.4156 63 V 4.4577 7.2381 107.0085 61.1987 33.1008 177.5914 64 S 4.5243 8.2452 114.4380 59.3057 63.6195 173.4313 65 C 4.0004 8.0924 119.1076 61.6738 27.9903 173.3148 66 L 3.5489 8.4869 123.8390 55.7701 38.9537 173.3788 67 Y 4.4075 7.4229 118.4993 55.7701 40.7576 174.3587 68 Y 4.9017 7.0881 122.9344 56.6457 42.3692 174.4389 69 D 4.5649 8.9809 123.4102 54.7908 42.0822 177.1371 70 N 4.4770 8.8447 115.7511 54.1159 36.0363 175.9764 71 R 3.9948 7.9087 118.7190 59.0647 30.4742 176.9724 72 Y 4.4773 7.7403 114.7450 57.5945 38.5392 174.5553 73 W 5.0731 8.6823 123.3592 55.1810 33.0010 174.5498 74 T 4.2891 8.2940 117.3470 62.8807 69.4016 174.5379 75 M 4.6316 8.5482 126.0778 55.1554 33.2928 175.1607 76 W 4.7904 9.3371 135.0000 55.8918 31.3757 176.9231 77 K 3.4196 8.4995 128.8783 57.4528 30.6654 178.1395 78 L 4.9179 8.2533 124.6811 52.7702 45.3701 173.9212 79 P 4.2237 0.0000 0.0000 63.4004 32.2369 177.7074 80 M 4.3466 8.6196 123.5731 53.7832 30.3403 175.8706 81 F 4.4213 7.4554 117.8127 59.1380 39.9440 176.3963 82 G 3.9356 9.1788 112.7552 45.7326 0.0000 172.6887 83 C 4.2697 8.0460 120.7074 59.4295 31.5470 173.3645 84 R 4.4613 8.6676 124.3863 55.6949 31.1092 174.8502 85 D 4.8402 7.7196 119.1181 51.4797 42.3050 174.6829 86 P 4.3572 0.0000 0.0000 66.2329 31.2326 178.2426 87 M 4.1304 8.2294 118.1024 58.1033 31.7789 178.2146 88 Q 4.0030 7.9482 119.7154 59.0288 29.2026 178.4918 89 V 3.6051 7.6445 118.8201 66.0474 31.8531 177.7736 90 L 4.0129 7.9784 118.7337 57.9767 41.3761 179.8165 91 R 3.9731 8.1381 117.9597 59.3042 29.9404 178.9946 92 E 4.1510 8.1427 118.2027 59.2755 29.4184 179.3715 93 I 3.4774 7.6847 120.0577 64.2339 37.1398 178.6355 94 V 3.4562 7.6275 118.3931 65.8747 31.3901 177.9129 95 A 3.9416 8.2383 120.9412 55.1846 18.2189 179.2040 96 C 2.0000 7.9330 117.5882 62.0834 31.1588 175.9895 97 T 3.7012 7.5247 111.1620 64.3721 67.9152 176.2887 98 K 3.8465 7.6214 121.8963 59.2185 32.3082 178.4086 99 A 4.0556 7.6282 120.2063 53.4986 19.7322 177.6207 100 F 4.6392 7.9398 115.8630 54.7503 39.2540 173.7852 101 P 4.3281 0.0000 0.0000 64.4032 31.7556 178.0051 102 D 4.7068 8.1006 116.4319 53.7485 41.0796 175.2895 103 A 4.8592 7.3374 121.0416 50.2302 21.8707 176.8206 104 Y 4.2025 8.7822 117.6098 57.7498 39.5586 175.2557 105 V 5.3116 8.9171 122.6895 61.2533 35.3644 174.2768 106 R 4.9903 9.3848 123.3466 54.2938 33.1710 173.6080 107 L 4.7182 8.2634 123.3483 53.7159 44.0147 175.6633 108 V 4.9120 8.7373 118.2195 59.6310 36.7557 174.1017 109 A 4.8907 8.0084 121.9977 50.6481 22.7076 175.3395 110 F 5.2792 9.1906 120.2395 55.7391 42.6157 174.3873 111 D 5.4642 8.7434 121.7446 52.6174 42.6806 176.4185 112 N 4.7053 9.1946 123.4879 54.5020 38.2639 176.5039 113 Q 4.1578 8.8357 119.0251 58.9710 28.9357 177.4356 114 K 4.1248 8.3354 113.8532 56.2950 33.0598 176.4099 115 Q 3.4619 7.7173 118.7598 55.5313 27.4575 172.5841 116 V 4.4044 6.8274 116.8367 60.1370 34.3178 173.4437 117 Q 4.5424 8.7831 123.2634 56.6157 29.2793 175.6076 118 I 4.1652 7.9548 125.0321 60.8663 38.8604 174.3558 119 M 4.3234 6.6291 116.8183 54.9235 33.8360 173.8606 120 G 4.9096 8.3393 110.3787 47.6810 0.0000 171.7289 121 F 4.9889 7.0057 114.6865 55.3716 41.0415 172.7527 122 L 4.4716 8.8470 122.6170 55.5372 41.9463 176.7636 123 V 4.4717 8.9377 118.1968 61.4833 34.2262 175.7614 124 Q 4.4433 7.7179 120.9122 54.3659 32.5990 173.1580 125 R 4.2114 8.0777 125.5548 53.0883 33.1518 173.0947 126 P 4.1458 0.0000 0.0000 62.7746 31.6185 177.5202 127 K 4.0555 8.5537 120.8662 59.2197 32.1432 178.2664 128 S 4.2937 7.9798 111.5770 59.5683 63.5624 174.4286 129 A 4.3053 7.8359 125.3521 52.9167 18.3997 177.3010 130 R 4.6824 8.7600 120.5887 55.9999 31.9184 175.3343 131 D 4.9271 8.6428 115.9311 52.5790 39.6786 175.2176 132 W 5.5542 7.7665 115.3604 55.0887 31.4210 174.1011 133 Q 4.2288 8.4693 116.7583 53.0567 31.6744 174.0436 134 P 4.6631 0.0000 0.0000 62.1157 32.5804 177.0024 135 A 3.9975 8.9272 123.1912 55.5930 18.1709 179.9154 136 N 4.4434 8.2412 110.9271 54.8738 37.2703 175.3925 137 K 4.5382 8.0072 118.1471 56.5649 33.1241 177.6017 138 R 3.6600 7.6691 121.4467 58.5232 30.2438 176.7244 139 S 4.9159 7.3782 110.4571 56.3176 66.2784 174.2482 140 V 3.9793 8.6610 114.7085 61.7247 32.1302 175.6249 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 2 M 8.30 4.65 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 3 V 8.89 4.03 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 0.99 0.00 0.00 0.96 0.00 0.00 4 W 9.05 4.51 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 5 T 8.02 4.01 4.07 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 1.01 0.00 0.00 6 P 0.00 4.59 0.00 2.24 2.19 0.00 3.79 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 1.94 1.96 0.00 7 V 7.38 3.95 2.03 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 0.76 0.00 0.00 0.91 0.00 0.00 8 N 8.64 4.25 0.00 2.77 2.88 0.00 0.00 6.84 8.00 0.00 0.00 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 N 7.53 5.06 0.00 2.66 2.71 0.00 0.00 7.30 6.68 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 10 K 8.30 4.06 0.00 2.05 1.71 0.00 1.23 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.44 1.26 7.81 11 M 8.40 4.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 12 F 8.30 4.62 0.00 3.11 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 13 E 8.30 3.55 0.00 2.16 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 2.20 2.15 0.00 14 T 8.45 3.77 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 0.08 0.00 0.00 15 F 9.11 4.51 0.00 3.26 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 16 S 8.33 4.52 0.00 4.15 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 17 Y 8.24 4.42 0.00 3.05 3.20 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 18 L 7.53 4.75 0.00 1.81 1.60 0.80 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.47 0.00 2.04 2.01 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 20 P 0.00 4.20 0.00 2.05 2.03 0.00 3.73 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 2.13 2.21 0.00 21 L 8.39 4.18 0.00 1.59 1.48 0.35 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.47 4.47 0.00 3.98 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 23 D 8.54 4.38 0.00 2.70 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 24 E 8.05 3.92 0.00 2.02 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 2.35 2.38 0.00 25 Q 7.94 3.95 0.00 2.27 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 26 I 7.95 3.75 2.07 0.00 0.00 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 1.60 1.13 1.11 0.00 0.00 27 A 8.21 4.06 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 28 A 8.14 4.12 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 29 Q 7.95 4.15 0.00 2.46 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.45 1.99 0.00 30 V 8.06 3.81 2.32 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 1.14 0.00 0.00 1.07 0.00 0.00 31 D 8.38 4.44 0.00 2.99 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 32 Y 8.07 4.33 0.00 3.24 3.35 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 33 I 7.77 3.99 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.14 1.09 0.00 0.00 34 V 7.79 3.53 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 1.09 0.00 0.00 0.99 0.00 0.00 35 A 8.20 3.88 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 36 N 7.05 4.10 0.00 1.44 1.42 0.00 0.00 7.01 7.54 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 37 G 7.50 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 0.00 0.00 0.00 38 W 7.71 4.93 0.00 3.36 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.97 4.42 2.08 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 0.69 0.00 0.00 40 P 0.00 4.83 0.00 2.12 2.20 0.00 3.90 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 41 C 8.80 4.97 0.00 2.99 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.60 5.31 0.00 1.83 1.58 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.08 5.61 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 44 F 9.43 5.62 0.00 2.96 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 45 A 8.11 4.45 -0.20 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 46 E 8.50 4.38 0.00 2.19 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 0.00 2.29 2.31 0.00 47 S 9.01 4.39 0.00 4.02 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 48 D 8.15 4.58 0.00 2.68 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 49 K 7.90 4.62 0.00 1.48 1.67 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.41 7.81 50 A 7.70 3.82 0.45 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 0.00 0.00 51 Y 7.39 4.73 0.00 2.88 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 52 V 8.40 4.46 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 0.42 0.00 0.00 0.76 0.00 0.00 53 S 8.30 4.68 0.00 4.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.54 5.20 0.00 2.76 2.85 0.00 0.00 6.78 7.66 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 55 E 8.46 3.87 0.00 2.06 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 2.44 2.53 0.00 56 S 8.66 3.98 0.00 3.91 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 57 A 7.55 2.58 1.15 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 58 I 7.11 3.50 1.93 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 1.47 1.09 0.83 0.00 0.00 59 R 7.69 4.33 0.00 1.89 2.00 0.00 3.20 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 60 F 7.39 5.00 0.00 2.99 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 61 G 8.16 4.09 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 0.00 0.00 0.00 62 S 8.43 4.61 0.00 3.87 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 63 V 7.24 4.46 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 0.66 0.00 0.00 0.49 0.00 0.00 64 S 8.25 4.52 0.00 4.11 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 8.09 4.00 0.00 2.96 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 66 L 8.49 3.55 0.00 1.76 1.73 0.94 0.94 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 67 Y 7.42 4.41 0.00 2.92 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 68 Y 7.09 4.90 0.00 2.82 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 69 D 8.98 4.56 0.00 2.78 2.66 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 70 N 8.84 4.48 0.00 3.03 3.21 0.00 0.00 6.97 7.66 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 71 R 7.91 3.99 0.00 1.53 1.71 0.00 3.09 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 72 Y 7.74 4.48 0.00 3.04 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 73 W 8.68 5.07 0.00 3.06 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 74 T 8.29 4.29 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 75 M 8.55 4.63 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.80 0.00 76 W 9.34 4.79 0.00 3.56 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 77 K 8.50 3.42 0.00 1.66 0.75 0.00 1.72 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.73 0.21 7.81 78 L 8.25 4.92 0.00 1.60 1.58 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.22 0.00 0.63 1.80 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 80 M 8.62 4.35 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 81 F 7.46 4.42 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 9.18 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 0.00 0.00 0.00 83 C 8.05 4.27 0.00 3.06 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 84 R 8.67 4.46 0.00 1.81 1.89 0.00 3.22 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 85 D 7.72 4.84 0.00 2.73 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 86 P 0.00 4.36 0.00 2.33 2.33 0.00 3.77 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 2.09 2.08 0.00 87 M 8.23 4.13 0.00 2.06 2.44 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 88 Q 7.95 4.00 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.64 3.61 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 1.03 0.00 0.00 0.96 0.00 0.00 90 L 7.98 4.01 0.00 1.91 1.71 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.14 3.97 0.00 2.05 2.01 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 92 E 8.14 4.15 0.00 2.17 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 2.61 2.66 0.00 93 I 7.68 3.48 2.00 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 1.32 0.86 0.82 0.00 0.00 94 V 7.63 3.46 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 0.97 0.00 0.00 0.93 0.00 0.00 95 A 8.24 3.94 1.51 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 0.00 0.00 96 C 7.93 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 97 T 7.52 3.70 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 1.07 0.00 0.00 98 K 7.62 3.85 0.00 1.81 1.97 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.39 7.81 99 A 7.63 4.06 1.37 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 0.00 0.00 100 F 7.94 4.64 0.00 2.84 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 0.00 101 P 0.00 4.33 0.00 2.12 2.12 0.00 3.30 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.10 4.71 0.00 2.69 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 0.00 103 A 7.34 4.86 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 0.00 104 Y 8.78 4.20 0.00 2.52 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 0.00 105 V 8.92 5.31 2.03 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 0.94 0.00 0.00 0.92 0.00 0.00 106 R 9.38 4.99 0.00 1.84 1.93 0.00 2.32 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.36 0.00 107 L 8.26 4.72 0.00 1.42 0.69 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.74 4.91 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.53 0.00 0.00 109 A 8.01 4.89 1.15 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 0.00 110 F 9.19 5.28 0.00 2.97 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 0.00 111 D 8.74 5.46 0.00 2.40 2.57 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 0.00 112 N 9.19 4.71 0.00 2.94 3.06 0.00 0.00 6.34 7.39 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 0.00 113 Q 8.84 4.16 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 114 K 8.34 4.12 0.00 1.75 1.86 0.00 1.95 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 115 Q 7.72 3.46 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 116 V 6.83 4.40 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 0.57 0.00 0.00 0.92 0.00 0.00 117 Q 8.78 4.54 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.23 1.98 0.00 118 I 7.95 4.17 1.26 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.61 -0.62 0.00 0.00 119 M 6.63 4.32 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.67 0.00 120 G 8.34 4.91 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 0.00 121 F 7.01 4.99 0.00 3.23 3.30 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 0.00 122 L 8.85 4.47 0.00 1.58 1.59 0.72 0.29 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 0.00 123 V 8.94 4.47 2.03 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 0.56 0.00 0.00 0.85 0.00 0.00 124 Q 7.72 4.44 0.00 1.96 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 125 R 8.08 4.21 0.00 1.34 1.28 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.09 0.00 126 P 0.00 4.15 0.00 2.13 2.08 0.00 2.20 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 127 K 8.55 4.06 0.00 1.76 1.94 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.39 7.81 128 S 7.98 4.29 0.00 4.02 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 0.00 129 A 7.84 4.31 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 0.00 0.00 0.00 0.00 0.00 130 R 8.76 4.68 0.00 1.79 1.86 0.00 3.31 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.54 0.00 131 D 8.64 4.93 0.00 2.92 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 0.00 132 W 7.77 5.55 0.00 3.67 3.23 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 0.00 133 Q 8.47 4.23 0.00 1.97 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.06 0.00 134 P 0.00 4.66 0.00 2.22 2.17 0.00 3.42 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.78 0.00 135 A 8.93 4.00 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 0.00 136 N 8.24 4.44 0.00 2.80 2.97 0.00 0.00 5.78 7.13 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 0.00 137 K 8.01 4.54 0.00 1.68 1.76 0.00 1.46 0.00 0.00 1.48 0.00 0.00 3.26 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.29 7.81 138 R 7.67 3.66 0.00 1.33 0.66 0.00 3.07 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 139 S 7.38 4.92 0.00 4.06 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 0.00 140 V 8.66 3.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.90 0.00 0.00