NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.4002 8.2893 120.3387 55.2286 32.5590 174.4117 6 R 4.1178 8.1736 121.8753 53.2611 30.4878 170.9562 7 V 3.6390 8.3770 122.8466 64.7896 32.6059 177.2584 8 G 3.9817 9.2321 118.3087 44.9127 0.0000 174.2830 9 E 4.2692 7.9724 118.4207 56.9514 30.8658 181.8675 10 R 5.2662 8.6094 120.9372 53.9659 33.9560 174.5403 11 F 5.1261 9.5302 125.4430 56.5478 42.5126 173.5503 12 T 4.6889 7.7567 115.5326 59.9848 71.2829 173.1633 13 H 4.3617 8.8281 123.9121 54.5013 32.6045 171.5504 14 D 5.2266 8.2960 125.6678 52.7368 42.8949 176.1072 15 F 4.6589 8.8399 125.0115 56.6290 42.8063 173.3645 16 V 3.9399 7.8241 126.9116 62.1658 32.4121 175.4887 17 V 3.4135 8.1346 128.9317 61.9483 32.3030 174.0474 18 P 4.7134 0.0000 0.0000 61.0943 32.4877 175.3369 19 P 4.2939 0.0000 0.0000 65.4030 31.2728 176.8965 20 H 4.3052 7.8855 112.2273 55.2763 28.8639 175.2643 21 K 3.8591 7.6745 118.0750 56.7784 32.5627 176.6341 22 T 5.4889 8.0870 109.4519 59.5854 70.6846 175.6134 23 V 3.4897 8.5222 120.8393 64.7426 31.2631 178.7061 24 R 4.0236 8.0226 116.3223 58.6625 29.5624 177.6538 25 H 4.6195 7.8810 114.3329 56.9872 29.2983 176.3316 26 L 3.7660 7.8715 121.1187 57.4098 41.9830 176.5211 27 Y 4.6395 7.3046 116.0568 53.8103 38.3458 173.8510 28 P 4.7693 0.0000 0.0000 64.4474 32.2023 176.7688 29 E 4.4533 8.2111 115.6810 56.4019 29.9356 175.2424 30 S 4.5966 7.6985 114.5726 56.7025 63.6148 172.2207 31 P 4.4652 0.0000 0.0000 65.3186 31.4858 178.6666 32 E 3.9867 8.0552 116.8380 58.5398 29.7515 177.4772 33 F 4.6196 7.7369 115.6699 57.3745 39.8934 177.5554 34 A 4.1522 7.7657 122.9447 54.4650 18.1994 178.0575 35 E 4.6943 8.2025 112.2963 56.0220 30.4039 176.2297 36 F 4.1753 8.3588 118.0458 56.5100 39.5755 173.4365 37 P 4.3606 0.0000 0.0000 63.4753 32.0622 177.2880 38 E 4.4901 8.4993 122.0774 55.6103 28.3407 176.0454 39 V 4.8247 7.1993 113.4151 58.7552 36.8356 176.1454 40 F 5.0343 9.0308 125.0562 59.3632 39.6415 174.9702 41 A 4.2009 8.8903 127.9881 51.9138 19.3668 178.3895 42 T 3.7872 8.7794 118.1558 66.8252 68.6302 177.2001 43 G 3.4996 7.8187 106.8778 47.8376 0.0000 175.5886 44 F 4.3655 7.4532 119.5447 60.3248 38.9442 177.1408 45 M 3.9647 7.4871 118.1591 58.7270 31.9102 178.4617 46 V 3.6081 8.1942 118.7278 65.9976 31.6273 178.2954 47 G 3.5847 7.9522 105.3991 47.5662 0.0000 175.5155 48 L 4.1762 8.1266 122.6930 58.0814 42.2459 178.7620 49 M 3.9770 8.3396 119.0966 58.4457 31.9478 178.4499 50 E 3.7754 8.1446 118.4767 59.2538 29.6985 179.2587 51 W 4.2944 8.3942 128.1157 60.4304 30.7053 177.7453 52 A 3.9011 7.9357 120.6601 55.4156 17.8037 179.4901 53 C 3.0521 7.6393 114.7322 62.3083 27.7975 176.2527 54 V 3.5542 7.8749 119.2583 66.0924 31.1943 178.0593 55 R 3.9580 8.0126 117.2533 59.3235 29.7447 178.7376 56 A 3.7087 7.3006 119.1981 54.8897 18.5567 178.5959 57 M 4.4716 8.0369 112.9004 55.7881 31.5025 177.9644 58 A 4.0260 7.7218 123.4245 55.0476 18.3455 177.7054 59 P 4.3277 0.0000 0.0000 64.9583 31.4764 177.2270 60 Y 4.3285 8.1149 117.8530 58.1656 39.3277 175.6000 61 L 4.2491 7.1831 119.3354 54.7910 42.5739 176.2931 62 E 4.5845 8.9912 122.0893 53.7707 31.4267 174.0865 63 P 4.4487 0.0000 0.0000 64.4041 31.7445 177.2564 64 G 3.9514 8.8887 109.4939 45.6125 0.0000 172.9047 65 E 4.8744 8.0026 118.9500 54.7737 31.7839 175.9718 66 G 4.3627 8.9453 109.3586 45.2510 0.0000 171.2050 67 S 5.2927 8.6143 113.3267 56.7664 66.4572 173.4411 68 L 4.8101 9.1566 120.6537 52.7208 45.8313 175.8319 69 G 4.2908 8.6780 108.9926 46.3708 0.0000 173.5569 70 T 4.7397 8.5998 114.3402 61.6912 70.7030 174.1805 71 A 4.5865 7.6371 121.3917 51.3976 22.4680 174.9372 72 I 5.0501 8.2846 119.7503 59.8169 41.6013 174.2925 73 C 4.6771 9.4306 129.2133 58.0871 33.8211 172.6926 74 V 5.1437 8.1869 118.2170 59.6517 35.6143 175.5083 75 T 4.4315 8.6509 113.8188 61.2756 71.1801 173.4787 76 H 5.0854 8.7564 122.0368 55.1024 31.1273 172.3723 77 T 4.6831 9.4689 115.7515 61.5018 70.4568 174.4670 78 A 4.6851 7.9658 122.9989 50.3372 22.3878 174.6668 79 A 4.7192 8.4159 121.6824 51.0812 20.9759 177.0752 80 T 4.6560 8.4134 117.1802 60.9733 71.6222 172.1832 81 P 4.8217 0.0000 0.0000 61.4140 33.0947 174.1891 82 P 4.3504 0.0000 0.0000 64.4271 31.7367 176.0074 83 G 4.0010 8.9987 109.4902 45.4287 0.0000 174.3466 84 L 4.2719 7.2108 118.4361 54.6024 43.4104 176.4162 85 T 4.5822 8.2075 118.2016 62.7028 70.0420 173.9094 86 V 4.2772 8.6886 127.9481 62.1341 33.4420 174.5899 87 T 4.8138 8.7632 125.0635 61.8470 70.7289 173.4681 88 V 4.5643 8.8138 127.4722 61.9426 33.8653 174.5378 89 T 4.9666 9.1000 124.2825 61.7602 70.9809 172.9706 90 A 5.1869 9.0218 128.9669 50.0948 21.2728 174.5476 91 E 5.0905 9.3754 124.5345 54.0677 32.4401 174.9046 92 L 3.7763 8.9742 130.9618 55.6768 42.4621 177.4080 93 R 4.2197 8.6168 126.6389 58.2655 31.1536 177.1111 94 S 4.5431 7.2470 111.1434 56.9455 66.5354 173.2466 95 V 4.5503 8.0381 120.6321 61.3836 34.2388 175.0957 96 E 4.4879 9.1152 127.6579 55.0954 32.1740 177.3540 97 G 4.0354 8.3404 117.4961 46.9862 0.0000 173.6080 98 R 4.3258 8.8333 125.9549 56.2781 30.5444 174.8229 99 R 5.0715 7.9717 119.9549 54.3947 32.5180 174.3937 100 L 5.0840 8.8005 125.6400 52.9826 45.6344 175.7617 101 S 5.1465 8.3334 117.6288 56.5378 67.2235 173.1324 102 W 5.3314 9.3384 122.4827 54.9277 33.2504 174.1833 103 R 4.9278 9.2161 123.6180 55.3470 31.4011 175.4843 104 V 5.3221 8.4527 118.7650 59.1839 35.2715 174.6895 105 S 5.0542 8.3356 116.5822 57.1238 66.1047 172.5164 106 A 5.3712 9.2945 128.1574 50.4705 22.5691 174.5167 107 H 5.4089 8.9790 116.6451 53.8056 32.2326 173.6146 108 D 4.9847 8.4682 118.8628 52.4057 39.5189 177.4935 109 G 4.0382 8.7778 108.6140 45.5248 0.0000 174.2755 110 V 4.2371 7.8854 116.3490 63.7631 33.8771 175.0404 111 D 4.8886 8.8417 117.9284 51.9152 44.7699 174.4084 112 E 4.3828 8.7833 122.9589 56.4631 30.3441 176.4670 113 I 4.4377 8.9174 118.9145 60.3879 40.0154 175.3922 114 G 4.6744 7.9520 110.9980 46.4964 0.0000 171.6422 115 S 5.0698 7.0727 112.3730 56.3684 66.6642 175.9886 116 G 4.1924 7.4663 109.4449 46.2387 0.0000 172.5382 117 T 5.2437 8.9771 115.7715 60.5350 73.0231 172.3394 118 H 5.3981 8.9336 120.0135 55.1901 33.8252 171.9093 119 E 5.3461 9.0966 124.1749 54.7357 33.1986 175.1695 120 R 5.2228 9.2724 120.9059 54.3918 35.1299 173.9993 121 A 5.2716 8.8990 122.5716 49.9961 22.1272 175.8032 122 V 4.3004 8.9555 123.7961 62.7820 32.3713 175.3917 123 I 4.6494 8.7766 121.0399 59.1242 41.1952 175.2530 124 H 4.4954 8.6876 121.5500 56.6462 31.1775 175.9637 *125 L 4.3522 7.9805 120.2021 54.0207 43.1188 176.6976 126 E 3.9641 8.2376 120.3191 59.2230 29.6741 179.0389 127 K 4.0035 7.8675 119.3202 59.2739 32.3747 178.5328 128 F 4.0896 8.0664 121.0120 61.5106 39.3649 176.8074 129 N 4.2731 8.5618 116.1023 56.3655 38.2954 177.2846 130 A 3.9558 7.9144 121.6485 55.0255 18.2355 179.8278 131 K 3.8455 7.8688 116.2185 59.3549 32.4660 179.5447 132 V 3.5238 7.9337 121.3293 66.6972 31.6292 178.6480 133 R 3.9874 7.9975 122.0350 61.0198 28.8280 180.2633 134 Q 4.2201 7.6655 117.1192 58.3520 28.8389 178.3892 135 K 4.3835 7.5437 116.0623 56.0340 33.0783 176.9231 136 T 3.9383 7.2398 119.0889 62.8903 68.8952 172.6878 137 P 4.4042 0.0000 0.0000 63.0850 31.2368 176.0866 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 5 M 8.29 4.40 0.00 1.80 1.96 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.59 0.00 6 R 8.17 4.12 0.00 2.05 2.06 0.00 3.00 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 7 V 8.38 3.64 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 0.78 0.00 0.00 0.81 0.00 0.00 8 G 9.23 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 0.00 0.00 0.00 9 E 7.97 4.27 0.00 1.69 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 2.24 2.17 0.00 10 R 8.61 5.27 0.00 1.69 1.86 0.00 3.14 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 11 F 9.53 5.13 0.00 3.13 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 12 T 7.76 4.69 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 1.10 0.00 0.00 13 H 8.83 4.36 0.00 2.81 2.90 0.00 5.56 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.30 5.23 0.00 2.45 2.44 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 15 F 8.84 4.66 0.00 2.88 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 16 V 7.82 3.94 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 0.58 0.00 0.00 0.76 0.00 0.00 17 V 8.13 3.41 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 0.69 0.00 0.00 0.24 0.00 0.00 18 P 0.00 4.71 0.00 2.08 2.05 0.00 3.62 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 19 P 0.00 4.29 0.00 2.07 2.18 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 20 H 7.89 4.31 0.00 3.06 3.20 0.00 5.47 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.67 3.86 0.00 1.83 1.55 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.96 1.50 7.81 22 T 8.09 5.49 4.51 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 1.43 0.00 0.00 23 V 8.52 3.49 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 1.01 0.00 0.00 0.38 0.00 0.00 24 R 8.02 4.02 0.00 2.04 2.44 0.00 2.98 0.00 0.00 3.64 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.39 0.00 25 H 7.88 4.62 0.00 3.52 3.58 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.87 3.77 0.00 1.16 1.43 -0.51 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.30 4.64 0.00 3.13 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 28 P 0.00 4.77 0.00 2.08 2.16 0.00 3.71 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 29 E 8.21 4.45 0.00 2.16 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 0.00 2.46 2.32 0.00 30 S 7.70 4.60 0.00 3.84 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 0.00 31 P 0.00 4.47 0.00 2.21 2.09 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 32 E 8.06 3.99 0.00 1.48 1.70 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 2.16 2.30 0.00 33 F 7.74 4.62 0.00 3.01 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 34 A 7.77 4.15 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 35 E 8.20 4.69 0.00 2.06 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 0.00 2.29 2.29 0.00 36 F 8.36 4.18 0.00 3.30 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 37 P 0.00 4.36 0.00 2.10 2.03 0.00 3.66 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 38 E 8.50 4.49 0.00 2.01 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 2.36 2.32 0.00 39 V 7.20 4.82 2.19 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 0.87 0.00 0.00 1.02 0.00 0.00 40 F 9.03 5.03 0.00 3.12 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 41 A 8.89 4.20 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 42 T 8.78 3.79 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 1.19 0.00 0.00 43 G 7.82 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.45 4.37 0.00 2.85 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 45 M 7.49 3.96 0.00 1.97 1.63 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.52 0.00 46 V 8.19 3.61 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 0.89 0.00 0.00 0.93 0.00 0.00 47 G 7.95 3.58 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 0.00 48 L 8.13 4.18 0.00 2.02 2.00 0.72 0.99 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 49 M 8.34 3.98 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 50 E 8.14 3.78 0.00 2.19 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 2.02 2.41 0.00 51 W 8.39 4.29 0.00 3.41 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 52 A 7.94 3.90 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 53 C 7.64 3.05 0.00 2.57 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 54 V 7.87 3.55 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 0.86 0.00 0.00 0.97 0.00 0.00 55 R 8.01 3.96 0.00 1.94 1.54 0.00 3.17 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 56 A 7.30 3.71 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 57 M 8.04 4.47 0.00 2.73 2.52 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.81 0.00 58 A 7.72 4.03 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 59 P 0.00 4.33 0.00 2.10 2.16 0.00 3.81 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 60 Y 8.11 4.33 0.00 2.92 3.22 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 61 L 7.18 4.25 0.00 1.70 1.59 0.99 0.86 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 62 E 8.99 4.58 0.00 2.03 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 2.16 2.30 0.00 63 P 0.00 4.45 0.00 2.03 2.00 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 64 G 8.89 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 65 E 8.00 4.87 0.00 2.28 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 2.41 2.25 0.00 66 G 8.95 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 67 S 8.61 5.29 0.00 3.94 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 68 L 9.16 4.81 0.00 1.35 1.45 0.29 0.84 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 69 G 8.68 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 0.00 0.00 0.00 0.00 70 T 8.60 4.74 4.26 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 1.22 0.00 0.00 71 A 7.64 4.59 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 72 I 8.28 5.05 1.92 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 1.21 0.76 0.92 0.00 0.00 73 C 9.43 4.68 0.00 3.00 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 74 V 8.19 5.14 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 0.81 0.00 0.00 0.91 0.00 0.00 75 T 8.65 4.43 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 1.24 0.00 0.00 76 H 8.76 5.09 0.00 3.12 3.23 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.47 4.68 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 1.25 0.00 0.00 78 A 7.97 4.69 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 79 A 8.42 4.72 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 80 T 8.41 4.66 4.39 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 1.16 0.00 0.00 81 P 0.00 4.82 0.00 2.11 2.19 0.00 3.73 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 2.07 2.01 0.00 82 P 0.00 4.35 0.00 2.03 2.08 0.00 3.65 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 2.05 2.12 0.00 83 G 9.00 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 0.00 0.00 0.00 84 L 7.21 4.27 0.00 1.72 1.51 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.21 4.58 4.16 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 1.10 0.00 0.00 86 V 8.69 4.28 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 1.09 0.00 0.00 0.71 0.00 0.00 87 T 8.76 4.81 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 1.12 0.00 0.00 88 V 8.81 4.56 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 0.98 0.00 0.00 0.94 0.00 0.00 89 T 9.10 4.97 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 90 A 9.02 5.19 1.19 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 91 E 9.38 5.09 0.00 2.21 1.90 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 2.24 2.40 0.00 92 L 8.97 3.78 0.00 1.53 1.36 -0.51 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.62 4.22 0.00 1.73 1.87 0.00 3.25 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 94 S 7.25 4.54 0.00 3.73 3.79 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 95 V 8.04 4.55 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 0.29 0.00 0.00 0.49 0.00 0.00 96 E 9.12 4.49 0.00 1.95 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 2.17 2.15 0.00 97 G 8.34 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 98 R 8.83 4.33 0.00 1.92 2.01 0.00 3.09 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 99 R 7.97 5.07 0.00 1.90 1.73 0.00 3.02 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 100 L 8.80 5.08 0.00 1.67 1.06 0.92 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.33 5.15 0.00 3.59 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.34 5.33 0.00 3.31 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 0.00 103 R 9.22 4.93 0.00 1.90 1.85 0.00 3.07 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 104 V 8.45 5.32 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 1.02 0.00 0.00 1.01 0.00 0.00 105 S 8.34 5.05 0.00 3.88 3.66 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 0.00 106 A 9.29 5.37 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 0.00 107 H 8.98 5.41 0.00 3.25 3.36 0.00 5.24 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.47 4.98 0.00 2.77 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 0.00 109 G 8.78 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 0.00 110 V 7.89 4.24 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 0.88 0.00 0.00 0.93 0.00 0.00 111 D 8.84 4.89 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.78 4.38 0.00 1.95 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 2.33 2.55 0.00 113 I 8.92 4.44 2.14 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 1.09 0.00 0.00 114 G 7.95 4.67 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 0.00 0.00 0.00 115 S 7.07 5.07 0.00 4.00 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 0.00 116 G 7.47 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 0.00 0.00 0.00 0.00 117 T 8.98 5.24 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 1.25 0.00 0.00 118 H 8.93 5.40 0.00 3.25 3.23 0.00 5.54 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.10 5.35 0.00 1.99 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 0.00 2.21 2.29 0.00 120 R 9.27 5.22 0.00 1.87 1.89 0.00 3.05 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 121 A 8.90 5.27 1.19 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 0.00 122 V 8.96 4.30 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 0.89 0.00 0.00 1.17 0.00 0.00 123 I 8.78 4.65 1.76 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.88 0.70 0.00 0.00 124 H 8.69 4.50 0.00 3.19 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 L 7.98 4.35 0.00 1.59 1.56 0.92 0.80 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 0.00 126 E 8.24 3.96 0.00 1.94 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 2.36 2.41 0.00 127 K 7.87 4.00 0.00 2.05 1.92 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.55 7.81 128 F 8.07 4.09 0.00 3.16 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 0.00 129 N 8.56 4.27 0.00 2.86 2.86 0.00 0.00 6.99 8.42 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 0.00 130 A 7.91 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 0.00 131 K 7.87 3.85 0.00 1.64 1.74 0.00 1.71 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.68 7.81 132 V 7.93 3.52 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 0.90 0.00 0.00 0.18 0.00 0.00 133 R 8.00 3.99 0.00 1.83 1.96 0.00 3.32 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 134 Q 7.67 4.22 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 135 K 7.54 4.38 0.00 1.92 1.88 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.42 7.81 136 T 7.24 3.94 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 137 P 0.00 4.40 0.00 2.17 2.03 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.