NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 S 4.5634 8.3349 119.0107 58.2189 65.0216 173.6490 3 F 4.2205 8.4338 120.2175 54.1171 41.0365 172.9386 4 R 4.6466 8.4677 125.1341 55.2693 31.4585 175.7806 5 F 5.0173 8.7465 127.0889 57.2151 41.4253 175.7416 6 G 3.8605 8.6772 120.9388 46.5067 0.0000 173.9445 7 Q 4.6588 8.3254 117.0306 53.8817 28.9769 173.8391 8 H 4.9244 8.0818 115.2092 54.3233 33.6674 173.3211 9 L 4.9672 8.3444 121.3189 53.0324 43.9094 176.4539 10 I 4.1539 9.1492 126.2887 61.0920 38.5925 175.5776 11 K 4.7464 8.5844 125.0860 54.6225 33.5431 176.1475 12 P 4.3929 0.0000 0.0000 65.4720 31.6952 178.6645 13 S 4.2281 8.3028 112.5290 60.6314 63.1854 175.8055 14 V 4.2813 8.2131 112.6815 60.8541 32.2594 175.0325 15 V 4.4176 7.6412 121.3864 61.4452 31.7820 175.3180 16 F 4.8979 7.9395 121.1752 56.4995 38.8713 175.3253 17 L 4.1363 6.7034 121.8187 54.0631 44.5686 173.5753 18 K 4.8089 8.2478 125.9964 55.4674 34.9931 175.0669 19 T 4.7829 8.9142 120.1473 60.2875 70.8988 174.3785 20 E 4.0439 8.8708 120.0382 59.4569 29.8959 178.2545 21 L 4.9235 7.8353 111.4602 54.0128 45.1045 176.0685 22 S 5.4432 8.6678 115.0631 56.8644 67.8982 172.4903 23 F 5.1027 8.6300 114.1517 55.6309 41.5833 173.2389 24 A 4.7335 8.3178 120.9886 49.8440 22.2505 175.1183 25 L 5.1451 8.1814 120.3022 53.9984 44.5098 176.0286 26 V 4.4403 8.2324 113.0044 60.6458 32.6544 175.5954 27 N 4.5852 8.0890 122.9871 52.6790 39.9031 176.3720 28 R 3.8135 8.5570 125.1453 58.9257 30.9092 176.2879 29 K 4.8435 7.3632 116.0796 54.0482 34.0324 173.6819 30 P 4.4877 0.0000 0.0000 63.0740 32.0775 177.7909 31 V 3.6730 8.1928 120.0829 65.4049 32.0606 176.0320 32 V 4.5176 7.1064 110.6225 58.3839 35.7273 172.5780 33 P 4.2119 0.0000 0.0000 64.0853 31.4083 177.2628 34 G 2.2127 7.9910 109.8030 45.1786 0.0000 172.7548 35 H 4.4285 7.7027 119.9074 56.5368 30.3059 174.6594 36 V 4.7605 8.5079 118.9641 59.3833 35.6813 174.7135 37 L 5.1441 8.4253 120.5213 52.9535 45.8056 176.1458 38 V 4.3780 8.2591 121.3998 61.2812 34.3504 174.2247 39 C 5.1488 7.9843 124.5768 56.9227 32.3792 171.6901 40 P 4.8963 0.0000 0.0000 61.9554 32.2746 176.3334 41 L 4.4530 8.8864 121.9841 58.0744 41.7182 178.3439 42 R 3.9844 7.9764 118.4248 55.5216 30.1893 174.8049 43 P 4.3342 0.0000 0.0000 62.2644 30.0582 175.3133 44 V 4.4716 7.5857 118.5223 59.7853 34.8028 176.7645 45 E 4.1838 8.7606 123.5864 57.9686 30.1826 177.0125 46 R 4.9323 7.5626 116.5450 53.7387 33.2000 175.9779 47 F 4.5547 9.4138 124.2706 61.6530 39.4508 176.5397 48 H 4.3381 8.0241 113.5158 56.8568 28.6817 175.6431 49 D 4.4833 7.9541 120.1846 55.8391 41.1053 176.6754 50 L 4.3617 7.1578 118.9472 54.0567 42.0372 177.8081 51 R 4.1753 8.7975 122.3904 55.2710 32.0747 176.1436 52 P 4.2588 0.0000 0.0000 65.9258 31.1356 178.7627 53 D 4.3980 8.0269 117.5742 56.5014 39.4913 178.3573 54 E 4.0519 8.1737 119.4839 58.8589 29.4323 179.4576 55 V 3.7953 7.5429 117.9486 66.0508 31.6989 177.9925 56 A 4.0979 8.0484 120.6221 55.2680 17.8560 179.0828 57 D 4.3455 8.6480 116.9476 56.8554 41.2774 178.3855 58 L 3.8784 7.9931 122.6323 57.6514 42.1500 178.7589 59 F 4.2409 8.2621 116.6559 59.3559 39.0254 178.0708 60 Q 4.0147 8.1285 118.5771 59.2423 28.6492 178.3492 61 T 3.8646 7.5389 116.3454 67.0663 68.4281 176.8395 62 T 3.9122 7.7037 117.4996 66.2142 68.4359 176.6296 63 Q 3.8644 7.7677 121.4520 59.2215 29.1463 178.2103 64 R 4.0377 7.8923 118.8024 59.5619 30.2284 179.2350 65 V 4.1640 8.1298 117.8445 66.0215 31.5618 178.1225 66 G 3.9041 8.3463 105.5109 48.3284 0.0000 175.6324 67 T 3.9181 7.9482 118.2286 66.2294 68.4083 176.7696 68 V 3.1790 7.5807 119.5368 66.1761 31.6753 178.5777 69 V 3.8765 7.9688 111.7264 64.0113 31.3921 178.2154 70 E 4.0232 8.2559 119.5761 59.2329 29.3437 178.0196 71 K 3.9838 7.9294 119.9387 58.8776 32.0524 177.9042 72 H 3.8719 7.9473 119.7730 58.1502 29.8696 176.1891 73 F 4.4016 7.7034 114.1662 56.5228 39.1855 175.4030 74 H 3.9956 7.6699 117.3136 56.7849 26.4560 174.1118 75 G 4.0700 8.3298 107.4564 44.9411 0.0000 173.2219 76 T 4.6244 8.8492 108.0701 61.2040 69.7845 173.4666 77 S 4.6983 7.5237 117.2035 58.5191 67.5622 173.3971 78 L 5.0789 8.3092 119.2809 53.5686 45.8621 176.3110 79 T 4.5570 8.2069 117.2134 61.7610 71.7542 173.0469 80 F 5.3603 8.7435 124.2081 55.8975 42.2103 174.9389 81 S 4.5916 8.7350 116.7537 57.4397 66.3192 172.4136 82 M 4.8350 8.6958 126.9374 53.8620 34.0468 175.4144 83 Q 4.2250 8.7609 126.7437 55.3165 28.1572 175.6120 84 D 4.5609 8.1216 124.4851 51.4071 40.0905 175.4410 85 G 4.1411 8.5748 110.0870 43.0184 0.0000 170.7744 86 P 4.2221 0.0000 0.0000 65.7609 31.3074 178.2611 87 E 4.2967 8.2036 113.2246 56.9262 29.4520 176.7282 88 A 4.5477 7.8155 121.0206 50.9772 20.1971 177.1297 89 G 3.9170 7.6915 101.7399 45.0416 0.0000 174.0874 90 Q 4.0261 8.0128 120.9059 56.5328 28.1854 175.1342 91 T 4.1032 7.8627 124.9059 65.2791 69.1235 175.4391 92 V 3.6084 7.5854 122.8115 62.0095 32.7241 178.0492 93 K 4.3222 8.1987 125.9187 54.5182 30.4830 174.9983 94 H 4.9245 7.7559 117.9747 54.2546 33.2991 172.9976 95 V 3.9185 8.2542 127.2859 64.3844 31.8221 174.9813 96 H 4.7770 8.5917 119.6857 54.7946 31.2310 172.9193 97 V 4.3264 8.2429 122.6535 61.7629 33.3668 174.0383 98 H 5.0703 8.9823 125.5097 54.7884 30.5594 174.1953 99 V 4.3910 8.8898 124.2544 61.0932 33.7223 174.1660 100 L 5.0177 8.1619 127.9340 52.2325 44.5638 174.6697 101 P 4.7364 0.0000 0.0000 62.4476 32.3920 175.8361 102 R 4.7644 9.0019 121.1527 54.4331 33.8060 174.9799 103 K 4.8525 8.4634 119.5272 53.9098 36.8554 175.5712 104 A 4.0772 8.9553 124.7475 54.3088 18.5087 177.9789 105 G 4.0680 8.8762 112.3992 46.1101 0.0000 174.4586 106 D 4.4639 8.3954 121.8293 54.2898 41.3851 179.6625 *107 F 4.5920 7.8249 124.0625 57.3000 40.2662 179.7583 *128 S 4.2458 9.1025 116.3793 58.2170 63.5602 175.2299 *129 W 4.7099 7.9343 134.9066 55.4377 30.7853 170.9266 130 R 4.7772 8.0089 123.0419 53.7027 32.0741 176.3050 131 S 4.6875 8.1311 114.1570 57.3288 65.8482 174.8565 132 E 3.9494 8.8780 123.7892 59.9973 28.9470 179.4516 133 E 4.0505 8.0504 117.8247 58.8104 30.0769 177.8362 134 E 4.1010 7.9913 119.0603 59.4471 29.8771 178.4544 135 M 4.0461 8.2331 118.5525 58.4574 31.5466 178.4839 136 A 4.5303 8.3302 121.8324 54.2859 18.4979 179.4412 137 A 4.0940 8.1497 119.5429 54.9754 18.7972 179.3774 138 E 3.9635 8.1924 117.1765 59.0753 29.6844 178.7353 139 A 4.0078 8.1799 120.7985 55.2808 18.3235 179.5739 140 A 4.0178 7.5738 116.6487 54.9087 18.5327 179.5207 141 A 4.0441 7.8789 119.0487 55.5007 18.4015 179.9314 142 L 3.8941 8.0658 117.6425 57.8987 41.4763 179.8188 143 R 4.5005 8.5782 118.5787 59.5373 29.7745 178.8777 144 V 3.5529 7.4073 117.2020 66.5183 31.5061 177.3739 145 Y 4.0282 7.9554 115.1996 59.1560 38.6744 176.0114 146 F 4.8373 8.1915 124.0923 58.2581 37.9133 176.5475 *147 Q 3.6748 7.9308 122.1220 55.5213 27.7958 175.5396 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 S 8.33 4.56 0.00 3.41 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 3 F 8.43 4.22 0.00 2.80 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 0.00 0.00 0.00 4 R 8.47 4.65 0.00 1.78 1.87 0.00 3.21 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 5 F 8.75 5.02 0.00 3.20 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 6 G 8.68 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.33 4.66 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 8 H 8.08 4.92 0.00 3.27 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.34 4.97 0.00 1.51 1.60 0.92 0.93 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 10 I 9.15 4.15 2.09 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.18 0.99 0.00 0.00 11 K 8.58 4.75 0.00 1.76 1.76 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.50 7.81 12 P 0.00 4.39 0.00 2.26 2.33 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 13 S 8.30 4.23 0.00 4.04 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 0.00 14 V 8.21 4.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.04 0.00 0.00 15 V 7.64 4.42 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 0.22 0.00 0.00 0.63 0.00 0.00 16 F 7.94 4.90 0.00 3.19 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 17 L 6.70 4.14 0.00 0.83 0.68 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.25 4.81 0.00 1.63 1.64 0.00 2.41 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.63 7.81 19 T 8.91 4.78 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 1.14 0.00 0.00 20 E 8.87 4.04 0.00 1.96 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 2.31 2.35 0.00 21 L 7.84 4.92 0.00 1.81 1.62 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.67 5.44 0.00 3.61 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 23 F 8.63 5.10 0.00 2.56 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 24 A 8.32 4.73 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.18 5.15 0.00 1.61 1.54 0.74 0.10 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 26 V 8.23 4.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.05 0.00 0.00 27 N 8.09 4.59 0.00 3.09 2.76 0.00 0.00 6.92 7.53 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 28 R 8.56 3.81 0.00 1.91 1.93 0.00 3.25 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 29 K 7.36 4.84 0.00 1.58 1.70 0.00 1.80 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.39 7.81 30 P 0.00 4.49 0.00 2.42 2.04 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 31 V 8.19 3.67 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 0.71 0.00 0.00 0.81 0.00 0.00 32 V 7.11 4.52 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 0.83 0.00 0.00 0.85 0.00 0.00 33 P 0.00 4.21 0.00 1.98 1.99 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 34 G 7.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 7.70 4.43 0.00 3.25 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.51 4.76 2.43 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 0.78 0.00 0.00 1.07 0.00 0.00 37 L 8.43 5.14 0.00 1.18 1.18 0.74 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.26 4.38 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.79 0.00 0.00 39 C 7.98 5.15 0.00 2.11 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 40 P 0.00 4.90 0.00 2.25 2.10 0.00 4.07 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 2.22 2.06 0.00 41 L 8.89 4.45 0.00 1.84 1.88 1.01 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.98 3.98 0.00 1.81 2.00 0.00 3.25 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 43 P 0.00 4.33 0.00 2.25 2.20 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 44 V 7.59 4.47 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 0.74 0.00 0.00 0.94 0.00 0.00 45 E 8.76 4.18 0.00 1.93 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 2.31 2.35 0.00 46 R 7.56 4.93 0.00 1.86 1.77 0.00 3.42 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 47 F 9.41 4.55 0.00 3.12 3.28 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 48 H 8.02 4.34 0.00 3.25 3.40 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.95 4.48 0.00 2.81 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 50 L 7.16 4.36 0.00 1.60 1.61 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.80 4.18 0.00 2.08 1.85 0.00 3.14 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 52 P 0.00 4.26 0.00 2.14 2.10 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 53 D 8.03 4.40 0.00 2.88 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 54 E 8.17 4.05 0.00 2.23 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 0.00 2.43 2.39 0.00 55 V 7.54 3.80 2.33 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 1.19 0.00 0.00 0.90 0.00 0.00 56 A 8.05 4.10 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 57 D 8.65 4.35 0.00 2.81 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 58 L 7.99 3.88 0.00 1.91 1.82 0.67 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.26 4.24 0.00 3.14 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.13 4.01 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 61 T 7.54 3.86 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 1.03 0.00 0.00 62 T 7.70 3.91 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 1.13 0.00 0.00 63 Q 7.77 3.86 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 64 R 7.89 4.04 0.00 2.24 2.24 0.00 3.25 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 65 V 8.13 4.16 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 1.30 0.00 0.00 0.95 0.00 0.00 66 G 8.35 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 0.00 0.00 0.00 67 T 7.95 3.92 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 68 V 7.58 3.18 2.23 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 0.55 0.00 0.00 0.37 0.00 0.00 69 V 7.97 3.88 2.23 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 0.93 0.00 0.00 1.05 0.00 0.00 70 E 8.26 4.02 0.00 2.09 2.14 0.00 0.00 0.00 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 2.37 0.00 71 K 7.93 3.98 0.00 2.01 1.58 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.44 7.81 72 H 7.95 3.87 0.00 2.19 2.76 0.00 5.83 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.70 4.40 0.00 3.27 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 74 H 7.67 4.00 0.00 3.22 3.31 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.33 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 0.00 0.00 0.00 76 T 8.85 4.62 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 1.22 0.00 0.00 77 S 7.52 4.70 0.00 3.73 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.31 5.08 0.00 1.28 0.72 1.11 0.64 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 79 T 8.21 4.56 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 1.16 0.00 0.00 80 F 8.74 5.36 0.00 2.96 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 81 S 8.73 4.59 0.00 3.84 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 M 8.70 4.84 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 83 Q 8.76 4.23 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 84 D 8.12 4.56 0.00 2.64 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 85 G 8.57 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.22 0.00 2.20 2.14 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 87 E 8.20 4.30 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 88 A 7.82 4.55 1.30 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 0.00 0.00 89 G 7.69 3.92 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 0.00 0.00 0.00 90 Q 8.01 4.03 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.08 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 91 T 7.86 4.10 4.29 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 1.22 0.00 0.00 92 V 7.59 3.61 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 0.51 0.00 0.00 0.07 0.00 0.00 93 K 8.20 4.32 0.00 1.73 1.81 0.00 1.95 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.34 7.81 94 H 7.76 4.92 0.00 3.01 3.16 0.00 5.78 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 95 V 8.25 3.92 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.13 0.00 0.00 96 H 8.59 4.78 0.00 3.00 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.24 4.33 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 1.08 0.00 0.00 0.51 0.00 0.00 98 H 8.98 5.07 0.00 3.16 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.89 4.39 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 1.11 0.00 0.00 100 L 8.16 5.02 0.00 1.52 1.39 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.74 0.00 1.89 1.97 0.00 3.54 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 1.89 2.02 0.00 102 R 9.00 4.76 0.00 1.62 1.74 0.00 3.14 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 103 K 8.46 4.85 0.00 1.64 1.64 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.54 1.41 7.81 104 A 8.96 4.08 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 0.00 105 G 8.88 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 0.00 0.00 0.00 106 D 8.40 4.46 0.00 2.73 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 0.00 *107 F 7.82 4.59 0.00 2.34 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 *128 S 9.10 4.25 0.00 3.65 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 *129 W 7.93 4.71 0.00 2.59 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 0.00 0.00 0.00 130 R 8.01 4.78 0.00 1.84 1.98 0.00 3.40 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 131 S 8.13 4.69 0.00 4.06 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 0.00 132 E 8.88 3.95 0.00 2.05 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 2.44 2.42 0.00 133 E 8.05 4.05 0.00 1.98 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 2.31 2.38 0.00 134 E 7.99 4.10 0.00 2.09 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 0.00 2.40 2.42 0.00 135 M 8.23 4.05 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.59 0.00 136 A 8.33 4.53 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 0.00 137 A 8.15 4.09 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 0.00 138 E 8.19 3.96 0.00 2.13 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 2.47 2.62 0.00 139 A 8.18 4.01 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 0.00 140 A 7.57 4.02 1.35 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 0.00 0.00 141 A 7.88 4.04 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 0.00 142 L 8.07 3.89 0.00 1.45 1.22 0.16 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.58 4.50 0.00 1.94 2.16 0.00 3.23 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 144 V 7.41 3.55 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 0.60 0.00 0.00 0.93 0.00 0.00 145 Y 7.96 4.03 0.00 2.35 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 0.00 146 F 8.19 4.84 0.00 3.29 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 *147 Q 7.93 3.67 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.65 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 * Residues marked with a * may have inaccurate shift predictions.