NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3871 0.0000 0.0000 62.4863 33.7275 174.0116 2 V 4.3376 7.8097 121.3627 60.9791 32.7249 173.9705 3 F 4.6788 8.7942 125.5242 55.5047 44.0680 172.5935 4 E 5.2026 8.6509 119.7743 54.7389 31.9105 174.3798 5 N 5.3904 8.8061 122.8996 50.9030 40.0771 174.4118 6 N 4.3878 8.8444 114.2615 55.0743 37.4599 174.7886 7 N 4.9046 8.6006 116.4838 53.9815 41.3727 173.5287 8 Q 4.6427 7.5991 114.2658 54.9667 31.6119 173.1486 9 R 4.8650 8.4585 118.4043 56.4257 30.9782 175.5129 10 Y 5.0701 8.8314 120.3768 55.8374 42.2920 172.8020 11 Y 5.2401 8.9231 120.6208 55.8901 40.9402 174.1997 12 E 4.6573 8.1162 126.3435 53.9181 32.5972 175.7941 13 S 4.2241 8.6011 121.5332 58.2618 63.6170 174.3584 14 L 3.9416 8.3810 122.7294 54.4485 41.9952 176.2537 15 P 4.3172 0.0000 0.0000 62.5984 32.3895 177.2717 16 F 4.1939 9.0762 127.3530 61.8643 39.4162 177.7428 17 K 3.7155 8.1242 122.8372 59.8291 31.4694 180.4144 18 Q 4.0298 7.8722 120.4445 58.8042 28.9692 178.0007 19 L 3.7740 7.4712 120.9987 57.8363 42.0865 178.7057 20 K 3.6298 7.7679 119.8677 59.6197 31.9920 178.4752 21 E 3.9607 8.1368 118.8486 59.3738 29.2882 179.2461 22 L 3.9531 7.9159 120.3816 57.8665 42.1409 178.8558 23 K 3.9417 8.2272 119.7850 59.6677 32.1263 178.8416 24 I 3.7383 8.2487 121.2380 63.6981 36.9706 178.2402 25 A 4.1986 8.3864 121.8238 55.5341 18.1692 179.4827 26 C 4.3297 8.4544 115.5797 63.0380 27.6876 176.5618 27 S 4.1466 8.1470 115.9071 61.2435 62.5429 176.2453 28 Q 3.9301 8.1276 120.6921 57.0607 28.8309 176.2113 29 Y 4.6758 7.9169 115.9295 57.1606 40.3895 176.6097 30 G 4.2038 7.9462 107.0284 44.0885 0.0000 173.0369 31 P 4.6161 0.0000 0.0000 64.9793 31.4481 177.2977 32 T 4.7002 7.8650 106.8540 60.9984 69.2090 174.4860 33 A 4.2411 7.9703 123.8398 52.0165 20.2491 177.1877 34 P 4.2079 0.0000 0.0000 65.9286 31.2038 179.0066 35 F 4.0404 8.0580 117.6646 61.5507 39.4554 176.8454 36 T 4.0289 7.9989 113.7140 66.8064 68.6095 176.2865 37 I 3.8376 8.2429 121.8914 63.9492 37.0125 178.8609 38 A 4.0330 7.8421 119.1435 52.7215 18.0228 179.2166 *40 I 3.8138 7.7330 123.2641 62.9031 39.1537 178.1245 41 E 3.9472 8.3781 119.0998 59.3489 29.5676 178.6578 42 N 4.3896 8.0691 117.0825 56.6314 39.0474 176.6946 43 L 3.9486 7.8707 121.3876 57.9771 41.9513 178.7854 44 G 4.1002 8.2110 104.7790 46.7857 0.0000 174.8344 45 T 4.2694 7.6010 110.1982 62.0911 69.4316 174.6082 46 Q 4.3516 7.3490 120.6321 54.6233 30.6958 176.0815 47 A 4.3823 7.7441 123.1271 50.9530 17.4000 174.6061 48 L 4.6528 8.0129 119.9806 52.4520 43.2325 175.5602 49 P 4.9998 0.0000 0.0000 61.7072 32.5389 175.2788 50 P 4.6872 0.0000 0.0000 66.4266 31.0924 178.6970 51 N 4.5465 8.9229 114.8136 56.2729 38.3305 177.2564 52 D 4.4221 8.4020 120.7523 56.9692 40.8173 178.7431 53 W 4.1211 8.2142 119.0726 59.7042 29.1229 178.5832 54 K 4.2991 8.6735 118.6433 59.5523 31.5184 179.1487 55 Q 3.9554 8.5595 120.2165 59.4848 28.9903 178.5391 56 T 3.7808 8.0562 116.4578 66.5902 68.4569 176.5055 57 A 3.9167 8.1731 122.9258 55.2131 18.0490 179.8628 58 R 3.3448 7.9919 115.5954 59.2387 30.1361 178.9232 59 A 4.0964 8.0272 119.6189 54.6336 18.4386 178.5733 60 C 4.4576 8.0576 113.5274 59.6827 29.5926 174.2881 61 L 4.5273 7.1935 119.5723 52.8535 43.0015 177.1010 62 S 4.4382 8.3185 116.2325 58.2095 64.7878 175.4898 63 G 3.8654 8.7608 109.4205 48.1280 0.0000 176.2135 64 G 3.6253 7.9947 107.4067 47.7993 0.0000 175.5085 65 D 4.3781 8.1179 121.7746 56.8295 40.6607 178.1621 66 Y 4.1029 8.3562 120.6273 60.9197 38.8288 178.4389 67 L 3.7778 7.7466 119.7996 57.4956 41.7659 179.5230 68 L 3.8985 7.7749 118.7471 57.3432 41.5611 179.2724 69 W 3.9449 8.3791 128.6808 60.3094 30.6642 177.9415 70 K 3.2203 8.0668 119.9127 59.1830 31.5307 178.6678 71 S 3.7813 7.5916 113.3519 61.3562 62.2573 175.8330 72 E 3.8715 7.8113 121.5349 58.8856 29.2208 178.3991 73 F 3.9928 8.0502 121.2320 61.2586 39.2535 177.1248 74 F 3.9417 8.2433 117.2930 60.5381 38.6808 177.4663 75 E 3.9411 8.1945 118.1630 59.5668 29.2838 179.4514 76 Q 3.9377 8.3167 118.3339 59.2456 28.7591 178.7472 77 C 3.9879 8.1193 117.6882 62.5605 28.0272 176.0260 78 A 3.8504 8.2565 122.5667 54.9570 18.0498 179.5589 79 R 3.7398 7.8623 117.1658 59.7545 30.1189 178.8806 80 I 3.6665 7.7365 119.2723 64.2702 36.9924 178.2549 81 A 3.9330 8.3869 122.1044 55.1423 18.1540 179.1935 82 D 4.1627 8.0560 116.5912 57.3587 41.2847 178.6906 83 V 3.5192 7.6200 118.3526 66.0395 31.4757 177.6083 84 N 4.2491 8.4104 116.6521 56.3336 38.4154 177.1954 85 R 3.8320 8.1577 120.1199 59.7454 29.9581 178.6438 86 Q 4.0308 7.8162 116.2953 58.5618 28.7808 177.8507 87 Q 4.3721 7.9919 116.4116 55.0399 29.1355 176.0686 88 G 3.8411 7.5574 107.5409 46.4729 0.0000 173.4881 89 I 4.2090 7.8550 121.1344 59.6706 38.6164 177.3979 90 Q 4.2600 8.3321 126.4386 55.0072 27.3352 175.7680 91 T 4.1422 7.1818 114.2793 62.4351 71.9222 174.5017 92 S 4.5478 7.8858 121.0119 56.3669 65.5170 173.7201 93 Y 4.1724 8.5155 121.1564 61.0310 38.5796 180.3212 94 E 3.9875 7.8836 118.8864 56.0877 28.8207 179.0786 *96 L 4.0604 8.0818 120.3220 54.5095 43.4241 178.3185 97 I 3.6989 7.2297 109.3855 60.3730 38.6900 175.2338 98 G 3.9498 7.9684 109.2055 46.2129 0.0000 171.4512 99 E 5.1089 7.8857 117.4272 54.9711 35.0760 177.9390 100 G 3.7740 8.2875 108.7114 46.5418 0.0000 175.6935 101 P 4.1581 0.0000 0.0000 64.2730 31.2689 176.1884 102 Y 5.2691 7.7315 115.4977 57.0109 38.2861 177.6330 103 Q 4.6792 8.1029 123.0629 58.5284 29.5339 176.9039 104 A 4.3079 7.7995 120.4482 51.6899 19.5121 177.9932 105 T 3.8287 8.6514 118.6574 66.9286 68.6336 176.4372 106 D 4.3068 8.0297 119.5465 56.9400 41.1144 177.0678 107 T 4.3893 8.0371 108.0642 61.9537 69.2201 175.6006 108 Q 3.6845 8.0987 120.5435 55.7589 28.9136 176.0310 109 L 4.4963 7.5623 117.3160 54.8909 42.7611 176.5773 110 N 5.0805 7.5838 115.5930 52.7909 39.4436 174.5755 111 F 4.7766 7.7300 116.4565 56.7323 39.9166 175.4149 112 L 4.1846 8.4065 121.4449 54.8086 42.3465 176.9588 113 P 4.5971 0.0000 0.0000 65.9483 31.1672 179.1558 114 G 3.8023 8.1678 103.0273 46.8229 0.0000 175.3063 115 A 3.8795 7.9428 123.5637 55.4354 18.2537 179.2844 116 Y 4.0910 7.5335 113.8530 61.0917 37.8694 178.4928 117 A 4.1168 8.1296 121.4149 55.1050 18.5244 179.5831 118 Q 3.9211 7.8232 116.7974 59.1840 28.7309 178.9000 119 I 3.8190 8.0308 121.0400 64.4989 36.6609 178.3851 120 S 4.0407 8.4401 113.9535 61.3366 62.1711 175.6517 121 N 4.2676 8.3840 119.5174 56.6903 38.7433 176.6225 122 A 3.9596 8.1602 121.8659 55.1593 18.5100 179.4726 123 A 3.9785 8.1928 119.4946 55.4004 18.2418 180.1512 124 R 3.9327 7.8957 116.6587 59.2439 29.9236 179.1633 125 Q 4.0287 8.2386 117.2644 58.9990 28.8539 178.5165 126 A 4.1244 8.1847 121.7540 54.8176 18.3814 179.4847 127 W 4.2265 8.6864 126.9868 60.7042 30.6604 178.2546 128 K 4.3613 8.4319 116.7765 58.3594 31.6250 178.2104 129 R 4.3333 7.3931 117.4638 55.4763 30.5033 176.2052 130 L 4.1729 7.0900 117.9629 54.6768 42.3370 175.3204 131 P 4.4390 0.0000 0.0000 63.1633 31.4670 176.1693 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 P 0.00 4.39 0.00 1.64 1.77 0.00 3.51 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 2 V 7.81 4.34 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 0.39 0.00 0.00 0.64 0.00 0.00 3 F 8.79 4.68 0.00 1.51 2.37 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 4 E 8.65 5.20 0.00 1.89 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 5 N 8.81 5.39 0.00 3.03 3.14 0.00 0.00 6.71 6.25 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 6 N 8.84 4.39 0.00 2.85 3.02 0.00 0.00 5.61 8.04 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 7 N 8.60 4.90 0.00 2.63 2.96 0.00 0.00 6.97 6.63 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 8 Q 7.60 4.64 0.00 2.49 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 9 R 8.46 4.86 0.00 1.84 1.93 0.00 3.34 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 10 Y 8.83 5.07 0.00 3.06 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 11 Y 8.92 5.24 0.00 2.99 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 12 E 8.12 4.66 0.00 2.01 1.84 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 2.04 2.20 0.00 13 S 8.60 4.22 0.00 3.91 3.85 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 14 L 8.38 3.94 0.00 1.63 1.56 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.32 0.00 2.12 1.99 0.00 3.54 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 16 F 9.08 4.19 0.00 3.13 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 17 K 8.12 3.72 0.00 1.80 1.81 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.08 7.81 18 Q 7.87 4.03 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 19 L 7.47 3.77 0.00 1.65 1.61 0.85 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.77 3.63 0.00 0.81 1.43 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.37 7.81 21 E 8.14 3.96 0.00 2.06 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 2.36 2.38 0.00 22 L 7.92 3.95 0.00 1.75 1.75 0.81 0.39 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 23 K 8.23 3.94 0.00 1.84 1.92 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.58 7.81 24 I 8.25 3.74 2.02 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 1.38 1.09 0.85 0.00 0.00 25 A 8.39 4.20 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 0.00 0.00 0.00 0.00 0.00 26 C 8.45 4.33 0.00 3.27 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 27 S 8.15 4.15 0.00 4.02 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 28 Q 8.13 3.93 0.00 1.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 29 Y 7.92 4.68 0.00 3.08 3.02 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 30 G 7.95 4.20 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 0.00 31 P 0.00 4.62 0.00 2.14 2.17 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 32 T 7.87 4.70 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 1.35 0.00 0.00 33 A 7.97 4.24 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.21 0.00 2.20 2.16 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 35 F 8.06 4.04 0.00 2.76 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 36 T 8.00 4.03 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 1.47 0.00 0.00 37 I 8.24 3.84 1.88 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.03 0.91 0.00 0.00 38 A 7.84 4.03 1.18 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 0.00 0.00 *40 I 7.73 3.81 1.71 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 0.97 -0.36 0.69 0.00 0.00 41 E 8.38 3.95 0.00 2.02 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 2.46 2.44 0.00 42 N 8.07 4.39 0.00 2.76 2.70 0.00 0.00 6.86 6.82 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 43 L 7.87 3.95 0.00 1.56 1.67 0.60 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.21 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 45 T 7.60 4.27 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 1.27 0.00 0.00 46 Q 7.35 4.35 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.22 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 47 A 7.74 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.01 4.65 0.00 1.68 1.57 0.74 -0.03 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 49 P 0.00 5.00 0.00 2.58 2.47 0.00 4.03 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 2.25 2.19 0.00 50 P 0.00 4.69 0.00 2.46 2.67 0.00 4.07 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 51 N 8.92 4.55 0.00 2.85 2.93 0.00 0.00 7.06 7.70 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 52 D 8.40 4.42 0.00 2.90 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 0.00 0.00 0.00 0.00 53 W 8.21 4.12 0.00 3.65 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 54 K 8.67 4.30 0.00 2.06 2.21 0.00 2.08 0.00 0.00 2.13 0.00 0.00 3.26 0.00 0.00 3.31 0.00 0.00 0.00 0.00 2.11 2.06 7.81 55 Q 8.56 3.96 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 56 T 8.06 3.78 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 1.10 0.00 0.00 57 A 8.17 3.92 0.53 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 58 R 7.99 3.34 0.00 1.70 1.70 0.00 3.14 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.92 0.00 59 A 8.03 4.10 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 60 C 8.06 4.46 0.00 3.29 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 61 L 7.19 4.53 0.00 1.66 1.47 0.18 0.18 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 62 S 8.32 4.44 0.00 4.04 3.99 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 63 G 8.76 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.99 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.12 4.38 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 66 Y 8.36 4.10 0.00 3.04 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 67 L 7.75 3.78 0.00 1.68 1.64 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.77 3.90 0.00 1.86 1.67 0.90 0.52 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 69 W 8.38 3.94 0.00 3.13 3.19 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 0.00 70 K 8.07 3.22 0.00 1.29 1.31 0.00 1.63 0.00 0.00 1.28 0.00 0.00 2.81 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.63 1.36 7.81 71 S 7.59 3.78 0.00 3.85 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 72 E 7.81 3.87 0.00 2.05 1.75 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 2.26 2.29 0.00 73 F 8.05 3.99 0.00 1.64 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.24 3.94 0.00 3.12 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 75 E 8.19 3.94 0.00 2.13 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 2.31 2.55 0.00 76 Q 8.32 3.94 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 77 C 8.12 3.99 0.00 2.76 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 78 A 8.26 3.85 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 79 R 7.86 3.74 0.00 1.85 2.07 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 80 I 7.74 3.67 1.79 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 1.41 0.58 0.84 0.00 0.00 81 A 8.39 3.93 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 82 D 8.06 4.16 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.62 3.52 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.95 0.00 0.00 84 N 8.41 4.25 0.00 2.84 2.99 0.00 0.00 6.70 7.20 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 85 R 8.16 3.83 0.00 1.93 2.04 0.00 3.05 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 86 Q 7.82 4.03 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 87 Q 7.99 4.37 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 88 G 7.56 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 89 I 7.85 4.21 1.82 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 1.33 0.60 0.85 0.00 0.00 90 Q 8.33 4.26 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 91 T 7.18 4.14 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 0.88 0.00 0.00 92 S 7.89 4.55 0.00 3.90 3.73 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 93 Y 8.52 4.17 0.00 2.86 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 94 E 7.88 3.99 0.00 2.17 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 0.00 2.35 2.41 0.00 *96 L 8.08 4.06 0.00 1.46 1.48 0.81 0.71 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 97 I 7.23 3.70 0.65 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 -0.01 -0.39 0.00 0.00 98 G 7.97 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 99 E 7.89 5.11 0.00 1.85 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 2.33 2.38 0.00 100 G 8.29 3.77 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 0.00 0.00 0.00 101 P 0.00 4.16 0.00 1.07 1.80 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 102 Y 7.73 5.27 0.00 3.38 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 0.00 103 Q 8.10 4.68 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 104 A 7.80 4.31 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 0.00 105 T 8.65 3.83 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 0.48 0.00 0.00 106 D 8.03 4.31 0.00 2.65 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 0.00 107 T 8.04 4.39 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 1.21 0.00 0.00 108 Q 8.10 3.68 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 109 L 7.56 4.50 0.00 1.61 1.68 1.00 1.04 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 0.00 110 N 7.58 5.08 0.00 2.72 2.85 0.00 0.00 6.99 7.45 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 0.00 111 F 7.73 4.78 0.00 2.69 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 0.00 112 L 8.41 4.18 0.00 1.69 1.63 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.60 0.00 2.22 2.18 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 114 G 8.17 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 0.00 115 A 7.94 3.88 1.08 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 0.00 0.00 116 Y 7.53 4.09 0.00 3.20 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.13 4.12 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 0.00 118 Q 7.82 3.92 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 119 I 8.03 3.82 2.26 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.78 1.39 0.00 0.00 120 S 8.44 4.04 0.00 4.20 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 0.00 121 N 8.38 4.27 0.00 2.88 2.96 0.00 0.00 7.14 7.85 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 0.00 122 A 8.16 3.96 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 0.00 123 A 8.19 3.98 0.19 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 0.00 0.00 0.00 124 R 7.90 3.93 0.00 1.87 1.96 0.00 3.39 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 125 Q 8.24 4.03 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 126 A 8.18 4.12 1.17 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 0.00 0.00 127 W 8.69 4.23 0.00 3.90 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.43 4.36 0.00 1.87 1.94 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.71 7.81 129 R 7.39 4.33 0.00 1.95 1.94 0.00 3.26 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 130 L 7.09 4.17 0.00 1.76 1.53 0.36 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.44 0.00 2.18 2.03 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.