NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1106 8.0244 121.4514 60.4402 38.5630 174.8967 4 K 3.7596 8.5268 124.1562 55.9292 32.4927 172.9374 5 E 4.3934 9.3515 128.1781 55.2784 31.5981 175.3237 6 L 4.5544 8.2428 124.5311 54.9409 43.0221 175.9029 7 H 4.5251 9.5057 122.7822 55.7995 31.0589 174.1809 8 V 4.4596 8.2168 126.3844 62.0428 32.4494 175.0461 9 K 4.5404 9.3772 127.6962 54.9499 35.3051 175.1933 10 T 4.7979 8.5061 122.0830 62.0920 69.9795 174.6165 11 V 4.4969 8.3203 119.5809 59.3926 35.7163 175.1375 12 K 4.6988 8.5716 121.4393 54.2790 34.2175 176.6190 13 R 4.4346 8.5019 120.4287 58.2326 30.4293 177.5275 14 G 3.8868 9.4075 110.8167 45.1846 0.0000 172.7009 15 E 4.3687 7.8970 121.0003 55.3649 31.9715 174.4999 16 N 5.4195 8.4426 119.6016 51.8070 41.1509 174.6538 17 V 4.6306 8.7228 121.2318 60.2233 35.0793 174.2554 18 T 4.8572 8.4651 119.5607 61.9889 71.1696 173.1089 19 M 4.6360 8.9525 126.2450 53.5177 34.4431 175.0942 20 E 5.0967 8.9657 123.4002 56.2497 31.0930 176.5155 21 C 5.0365 9.7538 122.5588 55.3547 47.8299 172.9932 22 S 4.8504 8.7128 121.7873 58.0359 63.5054 173.9355 23 M 4.2103 9.1865 126.3178 57.6995 32.7047 178.0373 24 S 4.0969 8.3771 112.9481 61.2140 62.6560 175.3256 25 K 4.3236 7.8370 116.5698 55.8521 32.7840 176.6647 26 V 3.8054 7.6159 120.4656 63.7197 32.0277 176.0430 27 T 4.0161 8.9528 123.9369 65.6054 68.8587 174.8760 28 N 4.6403 8.9981 122.1942 51.4937 40.4624 174.4725 29 K 3.4418 8.3785 126.6094 59.2562 32.2266 179.3872 30 D 4.4989 7.5624 116.8977 56.8936 40.9668 176.8852 31 N 4.7387 8.2165 115.3771 52.8767 39.1108 173.9637 32 L 4.8970 7.5666 121.7939 54.4493 43.7685 175.2542 33 A 5.3044 8.4968 123.5757 51.2340 23.3741 175.1351 34 W 5.4776 9.4831 121.2807 55.8953 31.4653 175.1362 35 Y 5.1441 9.9970 121.5950 56.2564 40.8765 174.5963 36 R 4.3194 8.8075 122.7463 54.2383 33.3322 173.8197 37 Q 4.6443 8.7005 127.8278 54.3014 31.6279 174.9361 38 S 4.6320 8.4026 122.4622 57.4332 64.8704 173.6608 39 F 4.1849 8.6621 124.6279 59.8800 39.3764 175.5253 40 G 3.5148 8.1245 115.3409 45.2401 0.0000 172.7027 41 K 4.6331 7.4262 117.6695 53.7000 35.0947 176.6148 42 V 3.7859 8.1097 114.0144 61.0701 32.0809 174.7205 43 P 4.7809 0.0000 0.0000 62.9394 32.3300 175.8217 44 Q 4.7703 9.0582 121.0738 53.8879 32.7286 174.1156 45 Y 3.0264 8.9619 124.0119 58.6517 38.7222 174.6698 46 F 4.7729 8.2688 127.3332 59.1933 42.2699 175.3419 47 V 4.2763 6.8742 116.3131 60.3527 34.2212 172.7307 48 R 5.3658 8.7896 121.6461 54.3708 32.4881 174.8487 49 Y 4.9596 8.7826 122.2438 58.2263 39.7204 174.6272 50 Y 4.7310 7.9856 126.1822 55.8983 42.5620 174.4962 51 S 4.3996 8.7013 122.9120 59.0917 61.6876 173.0520 52 S 4.4848 7.9085 118.5828 57.5805 64.8923 176.0032 53 N 4.3400 9.0206 117.6076 56.9907 38.2984 176.9444 54 S 4.1087 7.8311 111.3973 59.6503 63.7644 175.3135 55 G 4.2302 9.6659 108.5968 44.6882 0.0000 171.6600 56 Y 5.4304 6.8148 115.0263 55.7102 41.3726 173.9723 57 K 4.5032 8.9104 121.3436 54.8644 35.5175 175.9510 58 F 4.4721 9.1105 125.6921 56.5825 40.2554 175.0226 59 A 4.2659 8.6318 122.7654 51.7114 19.4470 176.9434 60 E 3.8581 8.9832 121.0472 58.3508 29.8025 177.6643 61 G 3.9425 9.1367 113.8642 45.2211 0.0000 172.3008 62 F 4.6328 8.2242 122.6538 56.4672 40.1656 175.8205 63 K 3.9515 7.3043 126.8173 54.5425 33.5107 174.4164 64 D 4.2215 7.0409 122.1154 52.1149 42.3656 175.9520 65 S 4.2933 8.4403 121.6240 60.1903 63.4305 175.7150 66 R 4.0799 8.1833 120.4616 58.5207 30.9523 176.3201 67 F 5.1621 8.1651 118.3181 56.5795 40.2628 175.6123 68 S 4.8566 8.9059 116.8546 57.7906 66.7042 172.2414 69 M 4.9516 7.8833 117.3392 53.9987 36.2103 175.6156 70 T 4.6558 8.7924 117.7674 62.0336 70.7832 173.6483 71 V 5.2857 8.5300 126.4496 60.0994 32.9260 174.9222 72 N 4.9990 9.0048 121.6940 52.1007 39.7248 174.2693 73 D 4.6012 8.8486 116.3654 57.2668 41.4869 177.1327 74 Q 4.4869 8.0308 114.8510 56.7306 30.7150 176.0484 75 K 5.1444 9.0786 117.3973 53.9509 36.0284 175.9231 76 F 5.6350 8.8440 123.1311 57.0625 38.1549 173.9237 77 D 5.1390 8.7085 121.4564 53.2359 43.4958 176.8695 78 L 4.4066 8.5949 125.2897 53.4661 43.8072 174.7046 79 N 5.3532 8.8265 124.0430 51.5511 41.5615 173.8609 80 I 4.6068 8.7505 123.1601 59.3767 40.8155 174.5305 81 I 4.8453 7.7729 127.1700 59.4329 38.5854 175.6012 82 G 3.5492 8.7048 116.4452 44.6968 0.0000 172.6485 83 A 4.3187 8.8072 123.4863 52.6833 19.8165 177.4071 84 R 4.9331 9.3554 119.0900 53.9376 34.0921 176.9756 85 E 2.5400 8.2362 119.1784 59.1754 29.5123 179.4250 86 D 4.4431 7.8109 116.8009 56.7905 41.0517 177.3362 87 D 4.7517 8.0888 118.9538 56.9043 41.0475 177.5104 88 G 4.0412 8.0355 107.6134 45.3755 0.0000 174.2890 89 G 3.8027 7.2683 107.9219 44.7226 0.0000 170.5977 90 E 5.1226 8.1803 119.3049 54.5873 32.9451 174.9406 91 Y 4.7462 8.9837 121.7326 56.0708 41.2328 174.5394 92 F 5.5437 9.3339 123.1376 55.8938 42.3070 173.3988 93 C 4.7750 9.3548 124.5211 54.8970 39.3457 172.6702 94 G 4.3565 9.4025 112.7641 44.5051 0.0000 170.4545 95 E 5.0586 8.7390 122.6053 53.8481 32.1251 175.1598 96 V 4.1402 8.3187 127.9615 62.6753 32.4457 175.0461 97 E 4.5313 9.1870 128.1626 55.3219 33.0186 177.5595 98 G 3.8877 9.3737 116.8493 46.4960 0.0000 173.7150 99 I 4.5193 8.8705 109.5135 60.1006 39.0892 174.8988 100 I 4.2792 7.9635 123.0085 60.1068 38.8104 174.5194 101 I 4.2137 8.1244 128.2902 59.9861 38.8494 174.4557 102 K 4.3082 8.4982 131.2498 54.8221 33.9532 174.7200 103 F 5.1391 8.6843 126.8196 56.7421 39.4109 175.7167 104 T 4.4639 9.0422 114.7496 62.4789 70.1867 174.7923 105 S 4.7463 7.9680 115.8074 57.4988 66.1686 172.8750 106 G 4.8584 8.6131 110.8060 46.0292 0.0000 171.5134 107 T 5.2620 9.2886 116.4498 61.6644 72.5090 173.6443 108 R 4.6123 9.2342 128.0268 55.2088 31.1041 174.6576 109 L 4.9303 8.8353 130.3773 54.1623 43.3583 175.3433 110 Q 5.1021 9.4501 125.4104 54.0874 32.8990 176.1324 111 F 4.6478 8.7757 118.2608 56.9312 39.3558 175.8274 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 I 8.02 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.06 0.90 0.00 0.00 4 K 8.53 3.76 0.00 1.82 1.77 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.69 7.81 5 E 9.35 4.39 0.00 1.98 1.86 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 2.30 2.42 0.00 6 L 8.24 4.55 0.00 1.67 1.72 1.13 1.37 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 7 H 9.51 4.53 0.00 3.22 3.26 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.22 4.46 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 0.83 0.00 0.00 0.94 0.00 0.00 9 K 9.38 4.54 0.00 1.63 1.59 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.55 7.81 10 T 8.51 4.80 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 1.11 0.00 0.00 11 V 8.32 4.50 1.78 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 0.75 0.00 0.00 -0.05 0.00 0.00 12 K 8.57 4.70 0.00 1.79 1.71 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.33 7.81 13 R 8.50 4.43 0.00 1.86 1.93 0.00 3.21 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 14 G 9.41 3.89 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 0.00 0.00 0.00 15 E 7.90 4.37 0.00 2.12 1.86 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 2.20 2.23 0.00 16 N 8.44 5.42 0.00 2.61 2.69 0.00 0.00 6.29 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 17 V 8.72 4.63 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 0.61 0.00 0.00 0.71 0.00 0.00 18 T 8.47 4.86 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 1.22 0.00 0.00 19 M 8.95 4.64 0.00 1.70 1.29 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 20 E 8.97 5.10 0.00 1.95 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 2.34 2.32 0.00 21 C 9.75 5.04 0.00 2.98 3.41 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 22 S 8.71 4.85 0.00 3.93 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 23 M 9.19 4.21 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.77 0.00 24 S 8.38 4.10 0.00 4.02 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 25 K 7.84 4.32 0.00 1.86 1.93 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.35 7.81 26 V 7.62 3.81 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 0.67 0.00 0.00 0.87 0.00 0.00 27 T 8.95 4.02 4.33 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 1.16 0.00 0.00 28 N 9.00 4.64 0.00 2.53 2.56 0.00 0.00 7.25 7.43 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 29 K 8.38 3.44 0.00 0.89 0.74 0.00 1.51 0.00 0.00 1.25 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.11 1.15 7.81 30 D 7.56 4.50 0.00 2.83 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 31 N 8.22 4.74 0.00 2.93 2.89 0.00 0.00 6.44 7.59 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 32 L 7.57 4.90 0.00 1.51 1.06 0.81 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.50 5.30 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 34 W 9.48 5.48 0.00 3.37 3.36 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 35 Y 10.00 5.14 0.00 3.27 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.81 4.32 0.00 0.82 1.09 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 0.72 0.50 0.00 37 Q 8.70 4.64 0.00 2.13 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.16 2.45 0.00 38 S 8.40 4.63 0.00 3.77 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 39 F 8.66 4.18 0.00 3.02 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 40 G 8.12 3.51 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 0.00 41 K 7.43 4.63 0.00 1.77 1.66 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.48 7.81 42 V 8.11 3.79 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 0.71 0.00 0.00 0.96 0.00 0.00 43 P 0.00 4.78 0.00 2.15 2.25 0.00 3.69 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 2.10 2.27 0.00 44 Q 9.06 4.77 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 45 Y 8.96 3.03 0.00 2.66 2.88 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 46 F 8.27 4.77 0.00 2.96 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 47 V 6.87 4.28 0.67 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 0.35 0.00 0.00 0.04 0.00 0.00 48 R 8.79 5.37 0.00 2.19 2.55 0.00 3.16 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 49 Y 8.78 4.96 0.00 2.57 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 50 Y 7.99 4.73 0.00 2.94 2.65 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 0.00 51 S 8.70 4.40 0.00 3.78 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 52 S 7.91 4.48 0.00 3.93 3.89 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 53 N 9.02 4.34 0.00 2.69 2.93 0.00 0.00 6.87 7.57 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 54 S 7.83 4.11 0.00 3.29 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.67 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 0.00 0.00 0.00 0.00 56 Y 6.81 5.43 0.00 2.91 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 57 K 8.91 4.50 0.00 1.25 1.40 0.00 0.61 0.00 0.00 1.37 0.00 0.00 2.27 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.14 1.00 7.81 58 F 9.11 4.47 0.00 3.01 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 59 A 8.63 4.27 1.26 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 0.00 0.00 60 E 8.98 3.86 0.00 1.99 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 2.35 2.46 0.00 61 G 9.14 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 62 F 8.22 4.63 0.00 2.97 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 63 K 7.30 3.95 0.00 1.46 1.47 0.00 1.60 0.00 0.00 1.54 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.34 7.81 64 D 7.04 4.22 0.00 1.99 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 0.00 0.00 0.00 0.00 65 S 8.44 4.29 0.00 3.98 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 66 R 8.18 4.08 0.00 1.88 2.01 0.00 3.27 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 67 F 8.17 5.16 0.00 2.84 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 68 S 8.91 4.86 0.00 3.95 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 69 M 7.88 4.95 0.00 1.43 0.82 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.88 0.00 70 T 8.79 4.66 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 V 8.53 5.29 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.29 0.00 0.00 72 N 9.00 5.00 0.00 2.99 3.03 0.00 0.00 6.60 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 73 D 8.85 4.60 0.00 2.73 2.80 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 74 Q 8.03 4.49 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 75 K 9.08 5.14 0.00 1.70 1.88 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.24 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.65 7.81 76 F 8.84 5.63 0.00 2.97 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 77 D 8.71 5.14 0.00 2.67 2.60 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 78 L 8.59 4.41 0.00 0.50 0.53 0.78 -0.16 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 N 8.83 5.35 0.00 2.54 2.56 0.00 0.00 6.34 8.10 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 80 I 8.75 4.61 1.53 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.36 0.55 0.00 0.00 81 I 7.77 4.85 1.81 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 1.04 1.64 0.93 0.00 0.00 82 G 8.70 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 83 A 8.81 4.32 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 84 R 9.36 4.93 0.00 1.78 1.72 0.00 3.16 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 85 E 8.24 2.54 0.00 1.73 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 1.80 2.04 0.00 86 D 7.81 4.44 0.00 2.67 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 87 D 8.09 4.75 0.00 3.10 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 88 G 8.04 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 89 G 7.27 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 90 E 8.18 5.12 0.00 1.60 1.55 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 2.25 2.26 0.00 91 Y 8.98 4.75 0.00 2.80 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 92 F 9.33 5.54 0.00 2.61 2.41 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 93 C 9.35 4.78 0.00 1.23 2.42 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 94 G 9.40 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 0.00 0.00 0.00 0.00 95 E 8.74 5.06 0.00 1.90 1.67 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 2.09 2.10 0.00 96 V 8.32 4.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.89 0.00 0.00 97 E 9.19 4.53 0.00 1.92 1.76 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 2.13 2.12 0.00 98 G 9.37 3.89 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 0.00 0.00 0.00 99 I 8.87 4.52 1.84 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 1.39 0.74 0.89 0.00 0.00 100 I 7.96 4.28 1.80 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 1.06 0.87 0.82 0.00 0.00 101 I 8.12 4.21 1.52 0.00 0.00 -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 0.74 0.22 0.36 0.00 0.00 102 K 8.50 4.31 0.00 1.76 1.51 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.34 7.81 103 F 8.68 5.14 0.00 2.89 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 9.04 4.46 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 105 S 7.97 4.75 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 0.00 106 G 8.61 4.86 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 0.00 107 T 9.29 5.26 4.33 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 1.30 0.00 0.00 108 R 9.23 4.61 0.00 1.95 1.89 0.00 3.27 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 109 L 8.84 4.93 0.00 1.87 1.72 0.75 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 9.45 5.10 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 111 F 8.78 4.65 0.00 3.01 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