NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7553 8.3501 109.7349 44.1626 0.0000 174.1715 2 A 3.9639 7.9452 126.1684 52.4260 16.6935 177.2876 3 L 4.2449 7.6971 115.5336 56.1466 39.0314 172.9426 4 T 4.2463 8.7801 113.4243 60.7100 71.4272 175.3273 5 E 3.9336 8.6493 121.7594 59.2889 29.6391 179.1020 6 S 4.1289 7.9628 114.0923 61.5547 63.3303 176.3219 7 Q 3.9813 8.2142 121.7091 58.5240 28.3978 178.7206 8 A 3.9710 8.2368 121.7110 54.8832 18.4753 179.5223 9 A 4.0023 7.8492 119.3025 55.3069 18.4134 179.8778 10 L 4.0198 7.8118 117.3252 57.9677 41.6011 179.9390 11 V 3.7506 7.8715 119.6395 65.0968 31.3809 178.1057 12 K 4.2283 8.3750 119.6135 59.5186 32.2528 178.6441 13 S 4.1780 8.1329 113.4995 61.6706 62.5002 176.4642 14 S 4.3816 8.3911 116.6868 61.0826 62.7837 176.1024 15 W 4.6241 8.9184 132.5241 60.2652 30.1267 177.9540 16 E 3.4755 8.2149 118.1792 59.0708 28.6258 178.5475 17 E 4.0363 8.0861 118.2922 59.4281 29.4823 179.2401 18 F 3.9039 8.0237 120.5123 61.2075 39.2175 176.4498 19 N 4.0525 7.5328 114.0715 55.2084 38.7435 176.1538 20 A 4.0024 7.0523 120.1499 54.1429 19.8710 177.2283 21 N 4.6756 7.7617 115.9736 50.7913 39.5978 174.3426 22 I 3.2765 7.4399 125.3275 64.5005 37.3286 176.2210 23 P 4.1947 0.0000 0.0000 65.2295 31.1178 178.6948 24 K 3.9049 7.6322 118.0114 59.9145 32.4115 178.6190 25 H 4.2928 8.0904 117.0231 58.8284 28.3702 178.0049 26 T 4.2021 8.2071 112.2977 64.9798 68.7918 176.4428 27 H 4.4006 8.1258 120.6788 58.9238 29.8101 177.2857 28 R 3.8927 8.2236 120.7789 59.1501 29.8914 178.0347 29 F 4.2081 8.4267 120.5051 61.7323 39.4936 177.3111 30 F 3.7567 7.9517 116.6522 60.1795 38.5333 177.8700 31 I 3.7388 7.7991 119.8665 64.2403 36.7802 178.3742 32 L 3.9290 8.0265 120.0387 57.3944 41.2557 179.7579 33 V 3.4376 7.5203 118.3804 66.0707 31.3333 178.2466 34 L 4.1835 7.6319 116.7520 57.3731 41.4471 179.0228 35 E 4.1120 8.1133 118.4976 59.1004 29.4464 178.6983 36 I 4.2378 7.3733 118.8405 62.6579 38.4450 176.2751 37 A 4.5514 8.3318 123.5243 48.9222 20.2543 174.1396 38 P 4.2437 0.0000 0.0000 66.2406 31.4954 177.8717 39 A 4.0875 8.1213 118.2687 54.7485 18.3551 179.0145 40 A 4.0330 8.1263 119.1824 54.3849 18.4438 179.4950 41 K 3.9845 8.0330 118.8120 59.7710 32.0729 178.4720 42 D 4.4632 7.5372 117.2030 56.9635 40.6893 178.4798 43 L 4.0255 7.5660 118.8229 55.8967 41.9120 177.2639 44 F 4.2342 7.5463 118.5421 55.5634 39.5793 176.9096 45 S 4.1697 8.4358 121.3252 61.0245 62.7778 175.1339 46 F 4.5983 7.4675 112.9314 57.0461 38.3450 175.7595 47 L 4.4301 8.0359 122.1276 55.8074 42.8796 176.9770 48 K 4.0256 7.8414 118.2314 58.0847 32.1537 176.2793 49 G 4.0412 9.0008 112.8173 45.6149 0.0000 173.6777 50 T 4.1671 7.1596 108.6374 61.6653 69.6659 174.0120 51 S 4.4897 8.6112 115.4160 59.3655 63.5832 173.8898 52 E 4.6416 7.6669 116.8809 53.8879 31.7962 175.8123 53 V 3.6677 8.2183 120.9689 61.9950 31.4325 174.1327 54 P 4.3025 0.0000 0.0000 63.7493 31.2855 176.0711 55 Q 4.3067 8.5891 118.8528 56.8244 30.1537 175.7165 56 N 4.9945 7.8103 113.7938 52.1480 39.5024 174.4724 57 N 4.8257 7.6799 116.6705 51.4125 41.5667 172.2895 58 P 4.2875 0.0000 0.0000 65.5928 31.5963 178.5497 59 E 3.8071 8.0626 118.1648 59.2325 29.4602 178.4470 60 L 2.6544 7.2719 120.1028 58.1855 41.9442 179.2178 61 Q 4.0147 7.9726 117.4529 58.7877 28.4960 178.5325 62 A 4.0439 7.9779 121.8711 55.5340 18.3062 178.5764 63 H 4.1531 8.4920 116.4818 59.8863 29.9446 177.2243 64 A 4.2976 9.0114 122.6803 54.9584 18.4129 179.9089 65 G 3.8165 8.2948 104.6679 48.0731 0.0000 176.0919 66 K 4.1328 8.0057 121.3497 59.0803 31.9057 179.4372 67 V 3.6036 7.7025 118.2992 66.3601 31.4477 178.2426 68 F 4.0595 8.3537 116.7256 60.0797 38.6337 177.7345 69 K 4.0285 8.4262 119.4833 59.3731 32.0466 178.8405 70 L 3.9384 7.8827 118.9133 57.8836 41.5966 179.7268 71 V 3.5699 7.5996 118.1570 65.9415 31.3461 177.5194 72 Y 3.6512 7.9250 119.4857 60.5367 38.5557 177.7308 73 E 3.0466 7.8110 119.2514 58.7545 29.4036 179.0601 74 A 3.7728 7.6145 120.6289 55.1783 18.4545 179.5596 75 A 3.7433 7.4985 118.9865 55.1820 18.2385 179.9918 76 I 3.5462 7.0585 118.0887 64.2908 37.1555 178.2256 77 Q 3.8079 7.7613 120.4321 59.1293 28.7959 178.4344 78 L 3.9628 7.8388 120.0277 57.7788 41.4119 179.1850 79 E 4.0320 7.7850 118.1699 59.0428 29.6368 178.8464 80 V 3.6637 7.8080 117.7745 66.0102 31.8234 176.8447 81 T 4.1586 7.9020 106.7192 61.4768 69.7526 175.8161 82 G 3.9498 8.5688 109.3820 44.8578 0.0000 172.8015 83 V 4.3675 7.2459 111.1330 59.4644 35.5523 174.8446 84 V 3.9488 7.9773 120.4125 61.1417 31.6426 175.3985 85 V 3.6968 8.1224 128.2374 62.3342 31.3787 175.6279 86 T 3.9774 8.4635 125.4662 63.5802 68.6258 173.3204 87 D 5.1000 8.2219 127.0419 50.9664 42.5700 175.9953 88 A 4.0109 8.5769 119.1199 56.0084 18.0304 180.0188 89 T 3.8349 7.7888 113.6670 66.9049 68.6547 176.8625 90 L 4.0201 7.9831 120.5675 57.5421 41.4457 179.7448 91 K 4.1401 8.1110 118.8338 59.3882 31.9756 178.9191 92 N 4.3566 8.4513 117.4892 56.2839 38.8860 176.8848 93 L 4.1284 8.3019 121.0810 57.9249 41.6666 179.5872 94 G 3.8007 8.1222 105.4824 47.9082 0.0000 175.6021 95 S 4.1406 7.8367 115.6513 61.2704 62.5001 176.7372 96 V 3.6876 7.8719 121.8157 65.0690 31.0699 178.0574 97 H 4.1793 8.1225 116.5480 58.6256 28.4971 177.9068 98 V 3.6506 7.7142 120.2919 66.1038 31.1531 178.2208 99 S 4.1473 7.9588 113.9864 61.0692 62.7257 175.8821 100 K 4.3280 7.7006 118.0898 55.7681 32.1133 177.2554 101 G 3.8110 7.9423 107.5532 45.8757 0.0000 173.6473 102 V 3.7693 7.7071 119.1874 61.7870 32.2801 175.3392 103 A 4.9409 8.6735 128.7138 49.9508 22.0831 176.6388 104 D 4.6628 8.7921 118.4565 57.6149 40.8842 178.7466 105 A 4.4423 7.9377 119.1185 53.5891 19.2409 178.4836 106 H 4.4347 8.4299 114.2612 58.5198 28.6726 177.3826 107 F 4.1847 8.3015 119.3126 60.5553 38.8309 176.0628 108 P 4.4283 0.0000 0.0000 64.8481 31.0509 178.8631 109 V 3.5349 7.6936 117.8376 66.1437 31.4974 178.3138 110 V 3.6642 7.7168 117.3390 65.3765 31.3104 177.8553 111 K 2.7752 7.9188 119.6682 59.2673 31.9817 178.7497 112 E 3.8771 8.1248 118.5916 59.1811 29.3393 179.2229 113 A 3.9654 7.7496 120.6329 55.2216 18.4203 179.8190 114 I 3.8671 7.9147 118.5484 64.4586 37.1617 178.7025 115 L 4.0641 8.1619 120.2711 57.4968 41.4130 179.7679 116 K 3.9320 8.4053 118.9507 59.5883 31.9572 179.4197 117 T 3.8933 7.9125 115.9619 67.0160 68.4218 176.8185 118 I 3.5983 8.1683 121.6936 63.9283 36.4389 178.4691 119 K 3.9904 8.1913 120.8499 59.2359 31.6962 178.8569 120 E 3.9416 7.8566 118.4253 59.0941 29.5203 178.9238 121 V 3.6479 7.8052 117.5448 66.0372 31.6368 177.9726 122 V 4.3638 7.7951 112.1085 59.5120 32.1456 178.0253 123 G 3.8792 8.3744 107.1296 46.2990 0.0000 176.8979 124 A 4.2377 8.8386 127.6269 53.8566 18.1142 178.5585 125 K 4.3556 7.6542 113.8429 56.1491 32.4855 177.1969 126 W 4.2468 8.0668 130.5633 57.4476 31.3464 175.5645 127 S 4.4977 7.2555 118.4498 55.6007 67.0264 175.0413 128 E 3.5063 8.2397 121.3910 59.3024 29.2340 178.8984 129 E 3.8157 8.0507 118.8913 59.4894 29.5260 178.6734 130 L 3.9969 7.6840 120.0657 57.9746 42.1245 178.4252 131 N 4.4609 7.7851 117.4089 56.5055 38.9099 177.0463 132 S 4.1042 8.3462 115.8875 61.4412 63.0889 176.2637 133 A 3.9646 7.9385 124.7160 54.7334 18.1672 179.7225 134 W 4.1497 8.5534 117.1791 59.7535 29.1231 179.2036 135 T 4.0747 8.1525 116.1634 66.5909 67.9329 176.7423 136 I 3.7004 7.9212 121.4558 64.5798 37.2403 178.4153 137 A 3.9218 8.0040 121.3807 55.0635 18.0898 179.1978 138 Y 3.9230 8.3031 118.1478 60.9499 38.9336 177.3965 139 D 4.4851 8.3157 119.8196 57.7507 40.5564 178.8988 140 E 3.9236 8.2947 118.8157 59.3615 29.4588 179.2807 141 L 3.9083 7.9644 120.1392 57.8291 42.0364 178.8665 142 A 3.7310 8.1859 121.3346 54.7822 18.0834 179.4971 143 I 3.4667 7.5627 118.4664 64.5399 37.1867 178.7946 144 V 3.5230 7.1776 117.6415 66.1179 31.3882 178.2384 145 I 3.7501 7.6821 119.5402 64.2186 37.0226 178.5982 146 K 3.7523 7.8905 119.5217 58.8832 31.7535 179.3589 147 K 3.8448 7.5177 120.1216 59.6490 32.0048 178.8471 148 E 4.0790 7.7906 116.8664 59.0667 29.5539 179.0312 149 M 4.3991 8.1372 119.3641 58.4455 32.0580 178.3169 150 D 4.3930 7.9879 118.8058 57.5224 40.7397 178.6491 151 D 4.3633 7.8973 117.7751 56.6794 40.8830 177.7048 152 A 4.3403 7.6548 118.7426 52.4761 19.0853 177.0260 153 A 4.1613 7.5798 125.6534 52.2039 18.7108 177.3533 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 A 7.95 3.96 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 3 L 7.70 4.24 0.00 1.64 2.03 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.78 4.25 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 1.29 0.00 0.00 5 E 8.65 3.93 0.00 2.04 1.98 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 2.37 2.36 0.00 6 S 7.96 4.13 0.00 4.08 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 7 Q 8.21 3.98 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 8 A 8.24 3.97 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 9 A 7.85 4.00 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 10 L 7.81 4.02 0.00 1.97 1.78 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.87 3.75 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 0.63 0.00 0.00 0.58 0.00 0.00 12 K 8.38 4.23 0.00 2.10 1.93 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.61 1.77 7.81 13 S 8.13 4.18 0.00 4.10 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 0.00 14 S 8.39 4.38 0.00 4.44 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 15 W 8.92 4.62 0.00 3.63 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 16 E 8.21 3.48 0.00 2.17 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 2.37 2.68 0.00 17 E 8.09 4.04 0.00 2.30 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 2.34 2.52 0.00 18 F 8.02 3.90 0.00 2.93 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 19 N 7.53 4.05 0.00 1.59 2.21 0.00 0.00 7.25 7.35 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 20 A 7.05 4.00 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 21 N 7.76 4.68 0.00 2.44 2.03 0.00 0.00 6.98 7.25 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 22 I 7.44 3.28 1.73 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.72 0.86 0.00 0.00 23 P 0.00 4.19 0.00 2.07 2.19 0.00 3.43 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 24 K 7.63 3.90 0.00 1.70 1.64 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.46 7.81 25 H 8.09 4.29 0.00 2.22 2.95 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.21 4.20 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 27 H 8.13 4.40 0.00 3.34 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.22 3.89 0.00 2.15 2.19 0.00 3.22 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 29 F 8.43 4.21 0.00 3.48 3.43 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 30 F 7.95 3.76 0.00 3.13 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 31 I 7.80 3.74 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.69 0.87 0.00 0.00 32 L 8.03 3.93 0.00 1.73 1.63 0.99 0.78 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 33 V 7.52 3.44 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 1.11 0.00 0.00 0.11 0.00 0.00 34 L 7.63 4.18 0.00 1.76 1.72 1.01 1.03 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 35 E 8.11 4.11 0.00 2.06 1.98 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 2.32 2.57 0.00 36 I 7.37 4.24 1.83 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 1.42 0.55 0.90 0.00 0.00 37 A 8.33 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.24 0.00 2.17 2.15 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 39 A 8.12 4.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.13 4.03 1.53 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 41 K 8.03 3.98 0.00 1.96 1.85 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 42 D 7.54 4.46 0.00 2.79 2.71 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 43 L 7.57 4.03 0.00 1.25 1.13 0.61 0.72 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 44 F 7.55 4.23 0.00 2.57 1.53 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 45 S 8.44 4.17 0.00 3.99 3.98 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 46 F 7.47 4.60 0.00 3.01 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 47 L 8.04 4.43 0.00 1.89 1.69 0.55 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.84 4.03 0.00 1.72 1.76 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.61 7.81 49 G 9.00 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 0.00 0.00 0.00 50 T 7.16 4.17 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 51 S 8.61 4.49 0.00 3.84 3.90 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 52 E 7.67 4.64 0.00 1.98 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 2.22 2.26 0.00 53 V 8.22 3.67 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 0.83 0.00 0.00 0.92 0.00 0.00 54 P 0.00 4.30 0.00 2.20 2.07 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 55 Q 8.59 4.31 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.52 0.00 0.00 0.00 0.00 0.00 2.10 2.31 0.00 56 N 7.81 4.99 0.00 2.60 2.71 0.00 0.00 6.72 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 57 N 7.68 4.83 0.00 2.69 2.53 0.00 0.00 6.81 7.71 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 58 P 0.00 4.29 0.00 2.28 2.26 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 59 E 8.06 3.81 0.00 2.18 1.89 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 2.43 2.38 0.00 60 L 7.27 2.65 0.00 0.91 1.53 0.70 1.11 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 61 Q 7.97 4.01 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 62 A 7.98 4.04 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 63 H 8.49 4.15 0.00 3.51 3.61 0.00 5.79 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 64 A 9.01 4.30 1.58 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 0.00 0.00 65 G 8.29 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 66 K 8.01 4.13 0.00 2.05 1.95 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.69 7.81 67 V 7.70 3.60 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 0.79 0.00 0.00 1.01 0.00 0.00 68 F 8.35 4.06 0.00 2.82 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 69 K 8.43 4.03 0.00 2.34 1.96 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.69 7.81 70 L 7.88 3.94 0.00 1.92 1.67 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.60 3.57 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 1.25 0.00 0.00 0.95 0.00 0.00 72 Y 7.93 3.65 0.00 2.68 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 73 E 7.81 3.05 0.00 1.95 1.69 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 1.94 2.24 0.00 74 A 7.61 3.77 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 75 A 7.50 3.74 1.02 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 76 I 7.06 3.55 1.47 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.35 0.76 0.00 0.00 77 Q 7.76 3.81 0.00 2.03 2.04 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 2.46 2.30 0.00 78 L 7.84 3.96 0.00 1.82 1.62 0.86 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.79 4.03 0.00 1.91 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 2.39 2.59 0.00 80 V 7.81 3.66 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 0.86 0.00 0.00 0.91 0.00 0.00 81 T 7.90 4.16 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 1.15 0.00 0.00 82 G 8.57 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 0.00 0.00 0.00 83 V 7.25 4.37 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 0.66 0.00 0.00 0.88 0.00 0.00 84 V 7.98 3.95 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 0.69 0.00 0.00 0.83 0.00 0.00 85 V 8.12 3.70 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 0.81 0.00 0.00 0.89 0.00 0.00 86 T 8.46 3.98 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 1.24 0.00 0.00 87 D 8.22 5.10 0.00 2.76 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 88 A 8.58 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.79 3.83 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 90 L 7.98 4.02 0.00 1.64 1.70 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.11 4.14 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.73 7.81 92 N 8.45 4.36 0.00 2.85 2.83 0.00 0.00 7.18 6.22 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 93 L 8.30 4.13 0.00 1.89 1.84 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.12 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 0.00 0.00 0.00 95 S 7.84 4.14 0.00 3.87 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 96 V 7.87 3.69 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 0.83 0.00 0.00 0.91 0.00 0.00 97 H 8.12 4.18 0.00 3.51 3.45 0.00 5.81 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.71 3.65 2.26 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 1.05 0.00 0.00 1.07 0.00 0.00 99 S 7.96 4.15 0.00 4.02 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 0.00 100 K 7.70 4.33 0.00 1.81 1.65 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.48 7.81 101 G 7.94 3.81 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 0.00 0.00 0.00 102 V 7.71 3.77 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 0.72 0.00 0.00 0.80 0.00 0.00 103 A 8.67 4.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.79 4.66 0.00 2.81 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 0.00 105 A 7.94 4.44 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 0.00 106 H 8.43 4.43 0.00 3.40 3.20 0.00 5.67 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 0.00 107 F 8.30 4.18 0.00 3.35 3.38 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 0.00 108 P 0.00 4.43 0.00 2.20 2.15 0.00 3.94 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 2.18 2.22 0.00 109 V 7.69 3.53 2.29 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 0.98 0.00 0.00 0.98 0.00 0.00 110 V 7.72 3.66 2.16 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 1.32 0.00 0.00 0.98 0.00 0.00 111 K 7.92 2.78 0.00 1.39 1.76 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.02 7.81 112 E 8.12 3.88 0.00 1.98 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 2.48 2.45 0.00 113 A 7.75 3.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.91 3.87 1.73 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.64 0.59 0.00 0.00 115 L 8.16 4.06 0.00 1.65 1.76 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.41 3.93 0.00 1.84 1.81 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.54 7.81 117 T 7.91 3.89 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 118 I 8.17 3.60 1.49 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.36 0.65 0.00 0.00 119 K 8.19 3.99 0.00 1.79 1.74 0.00 1.20 0.00 0.00 0.78 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.98 0.28 7.81 120 E 7.86 3.94 0.00 2.12 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 0.00 2.29 2.49 0.00 121 V 7.81 3.65 2.12 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 0.83 0.00 0.00 0.72 0.00 0.00 122 V 7.80 4.36 2.21 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 1.27 0.00 0.00 1.24 0.00 0.00 123 G 8.37 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 0.00 124 A 8.84 4.24 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.65 4.36 0.00 1.97 1.92 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.43 7.81 126 W 8.07 4.25 0.00 3.53 3.21 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 0.00 127 S 7.26 4.50 0.00 3.87 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 0.00 128 E 8.24 3.51 0.00 1.93 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 2.40 2.32 0.00 129 E 8.05 3.82 0.00 2.00 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 2.35 2.41 0.00 130 L 7.68 4.00 0.00 1.71 1.48 1.21 0.52 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 0.00 131 N 7.79 4.46 0.00 2.57 2.81 0.00 0.00 6.95 7.03 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 0.00 132 S 8.35 4.10 0.00 4.07 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 0.00 133 A 7.94 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 0.00 134 W 8.55 4.15 0.00 3.50 3.42 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 0.00 135 T 8.15 4.07 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 1.34 0.00 0.00 136 I 7.92 3.70 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.89 0.00 0.00 137 A 8.00 3.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.30 3.92 0.00 3.18 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 0.00 139 D 8.32 4.49 0.00 3.03 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 0.00 140 E 8.29 3.92 0.00 1.91 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 2.56 2.42 0.00 141 L 7.96 3.91 0.00 1.70 1.56 0.82 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.19 3.73 1.02 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 0.00 143 I 7.56 3.47 1.95 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 1.34 0.80 0.84 0.00 0.00 144 V 7.18 3.52 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 0.97 0.00 0.00 0.93 0.00 0.00 145 I 7.68 3.75 1.82 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 1.52 0.66 1.01 0.00 0.00 146 K 7.89 3.75 0.00 1.57 1.59 0.00 0.61 0.00 0.00 0.98 0.00 0.00 2.64 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.07 0.21 7.81 147 K 7.52 3.84 0.00 1.91 1.94 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.43 7.81 148 E 7.79 4.08 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 149 M 8.14 4.40 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.82 0.00 150 D 7.99 4.39 0.00 2.91 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 0.00 151 D 7.90 4.36 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.65 4.34 1.36 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 0.00 0.00 0.00 153 A 7.58 4.16 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00