NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.5170 8.3344 115.4443 57.5431 65.2472 172.8418 22 N 4.7473 7.9171 121.1835 49.8000 40.0035 173.8075 23 R 4.0286 9.5386 124.3355 58.9039 30.7524 178.1082 24 K 4.2156 8.5940 117.4825 58.4303 31.8106 177.1976 25 D 4.5572 8.3020 118.8201 54.5871 40.9972 175.0416 26 Y 5.1911 7.6693 117.1643 56.2091 41.0154 175.0584 27 S 5.0486 9.2568 116.6500 57.2810 67.2910 172.6191 28 L 5.0702 8.5579 121.7859 53.9841 45.2318 175.0026 29 T 4.6698 8.7020 123.2285 62.4384 70.9095 172.8833 30 M 4.7841 8.3180 123.3347 54.6585 34.9650 174.5086 31 Q 4.2150 8.9160 122.5443 56.5181 29.5820 176.0816 32 S 4.6277 8.5764 113.2822 59.8785 63.6585 173.3953 33 S 5.3646 7.8704 113.4632 57.4721 67.0792 173.5636 34 V 4.6145 8.9321 120.5962 60.5090 35.1010 174.0297 35 T 5.2323 8.5209 118.3005 61.7983 71.2592 173.7900 36 V 4.5091 8.5932 124.7836 59.7320 35.1512 174.6457 37 Q 4.5411 8.5185 123.8317 55.2297 30.5412 174.6741 38 E 4.1279 8.8851 126.7569 58.2914 29.8958 177.5983 39 G 3.9433 9.3293 114.6222 45.5700 0.0000 172.5803 40 M 4.6693 7.7823 119.7074 53.9004 35.1913 174.1764 41 C 5.4193 8.3660 118.0161 58.3485 35.2043 174.0374 42 V 4.5142 8.7148 122.2884 60.5121 34.8790 173.1264 43 H 5.1954 8.7136 119.5298 54.0922 31.2554 173.7269 44 V 4.1792 8.8126 123.9442 60.6675 33.0815 174.6799 45 R 4.3022 8.5183 128.9437 57.0028 30.7912 176.1903 46 C 5.3335 8.9282 124.7301 55.3523 45.6403 172.6654 47 S 5.4721 9.1022 119.5560 56.7713 66.5570 172.4630 48 F 5.4909 8.4843 115.1357 55.6675 41.3435 173.5234 49 S 4.8553 9.6072 113.5673 57.3485 66.5769 172.2911 50 Y 4.8908 7.8827 117.4282 55.7036 40.7883 172.1881 51 P 4.1769 0.0000 0.0000 62.5211 31.9468 175.8000 52 V 4.1557 8.0376 125.0522 61.4362 32.6290 174.6067 53 D 5.0573 8.3551 126.0026 52.1172 43.5094 176.7452 54 S 4.2179 8.8133 116.9147 61.2449 62.9110 174.7015 55 D 5.2324 7.8322 117.8044 53.1961 40.4244 175.8827 56 T 4.6240 8.0598 107.9013 62.1059 72.4559 176.4095 57 D 4.3036 7.7682 120.6232 57.1909 41.1526 177.7158 58 S 4.5134 7.8817 110.1624 58.8376 63.8927 174.0648 59 D 4.5564 8.5053 122.9467 53.3679 41.1429 174.5079 60 P 4.3851 0.0000 0.0000 62.7750 32.0897 175.5270 61 V 4.4223 8.1669 120.1902 61.8761 32.9397 174.4062 62 H 5.0604 9.5216 125.7347 54.2396 30.9469 174.2161 63 G 4.2908 9.3394 109.5100 44.6427 0.0000 171.5697 64 Y 5.0036 7.7906 119.5163 55.8494 42.7451 173.9989 65 W 5.1435 9.1686 123.7340 55.0156 31.9230 175.0581 66 F 5.1122 8.9390 122.4748 55.2835 42.3093 174.4770 67 R 4.0673 8.9270 122.4660 55.2519 30.6285 177.5794 68 A 4.5026 8.1945 131.0007 51.5095 16.2909 178.4660 *74 W 4.8338 7.8021 119.9562 57.2159 30.2890 176.5231 75 K 4.2417 8.9330 122.6906 57.6247 32.2529 177.1605 76 A 4.6701 7.8705 121.6244 50.0677 20.0239 175.3094 77 P 3.7575 0.0000 0.0000 62.6484 31.9368 177.6782 78 V 3.6847 8.5722 113.1126 63.0283 32.2140 176.3369 79 A 4.7275 7.5475 120.2179 51.3085 22.4631 174.9567 80 T 4.8720 8.4605 112.3880 62.2644 70.1259 172.6712 81 N 4.7833 8.6234 122.0813 52.6582 38.8063 174.1068 82 N 4.5451 8.1620 120.7991 51.9989 38.9557 173.7059 83 P 4.4458 0.0000 0.0000 64.4241 31.6469 176.5681 84 A 4.3663 8.4528 121.7894 51.8205 18.7632 176.7726 85 W 4.5117 7.9802 116.7449 54.8649 31.5040 175.2717 86 A 4.2534 8.5404 126.9496 51.7585 18.6806 177.4479 87 V 4.1478 8.0713 115.7092 59.9855 33.0605 176.0667 88 Q 3.6723 8.3442 119.7761 56.5665 28.4630 178.7987 89 E 3.9142 8.5621 121.8408 59.3977 29.7209 178.9621 90 E 4.0568 7.6906 116.8686 58.2245 29.6234 177.2668 91 T 4.4521 7.3987 107.5276 60.6140 69.6859 173.9870 92 R 3.7660 7.3490 122.6814 58.1739 30.2772 175.9531 93 D 4.5296 8.8580 122.5265 55.0182 38.9715 174.0705 94 R 4.6487 8.2270 118.8618 56.2796 33.2857 175.6980 95 F 5.1680 8.3219 116.3244 55.9895 41.3209 175.2659 96 H 4.8390 9.0680 119.3639 54.0658 33.0468 172.8062 97 L 4.7049 8.7229 125.1489 54.4153 40.5395 175.8489 98 L 4.1885 8.4764 125.6954 57.0923 42.4665 178.1012 99 G 3.8415 8.1375 105.3054 45.6295 0.0000 173.2346 100 D 4.8328 8.6440 122.7766 52.2035 41.9112 175.5083 101 P 4.7912 0.0000 0.0000 65.4219 31.6762 178.4595 102 Q 4.1744 9.1945 119.4310 58.2953 28.3596 176.5213 103 T 4.5375 7.9257 108.5390 61.1263 69.3028 174.3164 104 K 2.6080 7.7075 117.8292 58.2217 30.4621 174.4702 105 N 5.2956 7.6464 114.1690 52.2016 40.3074 171.8408 106 C 4.8528 8.7213 119.4332 55.2487 43.8973 174.0455 107 T 4.2341 8.3565 116.8439 64.9628 69.2186 172.5614 108 L 5.0317 8.5728 127.5084 53.1480 45.0553 174.7567 109 S 5.0986 8.9924 120.3769 56.4904 65.3044 172.5730 110 I 4.5401 8.3762 126.7851 59.2870 40.1888 174.7677 111 R 4.9622 8.4436 122.3068 53.8257 33.1629 174.0236 112 D 4.4607 8.7329 115.5235 54.8623 38.7089 174.5488 113 A 4.2924 7.8927 121.0043 52.4010 19.3769 177.6490 114 R 5.0044 9.0632 117.8094 54.0715 32.5649 176.8358 115 M 4.0472 8.6743 118.6296 58.9026 32.0414 178.6700 116 S 4.4415 8.0045 111.9601 60.0892 63.1742 174.7216 117 D 4.7338 8.3528 120.2888 55.9848 40.9422 176.8483 118 A 4.2980 7.8410 122.8481 51.9811 19.1912 178.2632 119 G 3.7936 7.6431 108.1270 44.7107 0.0000 171.9138 120 R 5.2926 7.8968 118.2003 54.9126 32.9795 175.2400 121 Y 5.5332 9.2436 118.8356 56.4212 42.5006 174.4544 122 F 5.6100 9.3709 115.8638 55.4331 42.1630 173.1710 123 F 4.4586 8.6829 121.9769 56.7238 41.4526 174.2355 124 R 5.1019 7.7743 125.0819 54.5721 33.3137 173.9199 125 M 5.1158 8.8263 122.5436 53.6882 35.1002 174.4851 126 E 5.0816 9.0192 118.6755 55.0461 34.5858 174.5766 127 K 4.6678 9.5086 126.2533 54.1685 34.9204 177.1147 128 G 3.8295 8.9219 120.2377 46.9817 0.0000 174.1648 129 N 4.5559 9.0161 122.3726 53.3115 37.8758 174.7020 130 I 4.2921 7.9589 122.1636 60.7026 37.4361 174.8147 131 K 5.1570 8.5486 124.3324 54.5350 35.9935 175.8658 132 W 4.6394 9.1553 133.8477 56.1422 34.6509 172.6828 133 N 4.9783 7.6440 124.4612 51.4936 39.3469 175.9698 134 Y 4.5507 9.0509 125.8211 57.1103 36.5236 176.5116 135 K 3.9714 7.4818 117.2611 57.5735 32.9209 177.6957 136 Y 4.6428 7.9276 115.4091 57.8528 38.6848 175.3339 137 D 5.1190 7.9186 118.5120 53.6608 41.6942 175.5884 138 Q 4.7505 8.0820 117.1267 55.8536 30.6890 176.7859 139 L 4.8199 9.1829 123.9115 53.8426 44.0864 175.0000 140 S 5.0632 9.2112 122.4189 57.1878 64.0424 172.5999 141 V 4.6951 9.2735 128.1741 61.5313 33.3311 174.0160 142 N 5.2987 9.0267 125.2672 51.4472 41.3451 173.7345 143 V 4.8648 8.3918 122.2453 61.4468 34.4453 174.4932 144 T 4.5895 8.6603 124.4799 61.6826 70.0012 174.5544 145 A 4.5002 8.5940 129.7512 51.8531 19.2293 177.3419 146 L 4.1918 8.9383 121.8650 57.3346 42.0353 177.8284 147 T 4.2114 7.5841 112.2256 61.7813 68.8695 173.4013 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 21 S 8.33 4.52 0.00 4.08 4.15 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 22 N 7.92 4.75 0.00 2.85 2.75 0.00 0.00 6.95 6.77 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 23 R 9.54 4.03 0.00 2.38 2.53 0.00 3.05 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 24 K 8.59 4.22 0.00 1.88 1.92 0.00 1.61 0.00 0.00 1.84 0.00 0.00 3.23 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.48 7.81 25 D 8.30 4.56 0.00 2.44 2.22 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 26 Y 7.67 5.19 0.00 2.37 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 0.00 0.00 0.00 0.00 27 S 9.26 5.05 0.00 3.98 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 28 L 8.56 5.07 0.00 1.19 1.62 0.62 1.00 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 29 T 8.70 4.67 4.27 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 1.24 0.00 0.00 30 M 8.32 4.78 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 31 Q 8.92 4.22 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 32 S 8.58 4.63 0.00 4.01 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 33 S 7.87 5.36 0.00 3.76 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 34 V 8.93 4.61 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 0.68 0.00 0.00 0.88 0.00 0.00 35 T 8.52 5.23 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 1.21 0.00 0.00 36 V 8.59 4.51 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 0.70 0.00 0.00 0.87 0.00 0.00 37 Q 8.52 4.54 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 38 E 8.89 4.13 0.00 1.97 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 2.34 2.31 0.00 39 G 9.33 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 40 M 7.78 4.67 0.00 1.91 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.77 0.00 41 C 8.37 5.42 0.00 2.86 2.66 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 42 V 8.71 4.51 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 0.46 0.00 0.00 0.86 0.00 0.00 43 H 8.71 5.20 0.00 2.94 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.81 4.18 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 0.89 0.00 0.00 0.78 0.00 0.00 45 R 8.52 4.30 0.00 1.86 1.83 0.00 3.28 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 46 C 8.93 5.33 0.00 3.13 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 47 S 9.10 5.47 0.00 3.94 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 48 F 8.48 5.49 0.00 2.85 2.64 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 49 S 9.61 4.86 0.00 3.69 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 50 Y 7.88 4.89 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 51 P 0.00 4.18 0.00 1.99 1.89 0.00 3.06 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.56 0.00 52 V 8.04 4.16 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 0.85 0.00 0.00 0.38 0.00 0.00 53 D 8.36 5.06 0.00 2.82 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 54 S 8.81 4.22 0.00 3.85 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 55 D 7.83 5.23 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 56 T 8.06 4.62 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 1.32 0.00 0.00 57 D 7.77 4.30 0.00 2.98 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 58 S 7.88 4.51 0.00 4.04 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 59 D 8.51 4.56 0.00 2.77 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 60 P 0.00 4.39 0.00 2.06 2.05 0.00 3.76 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 1.95 1.97 0.00 61 V 8.17 4.42 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 1.04 0.00 0.00 1.03 0.00 0.00 62 H 9.52 5.06 0.00 3.12 2.76 0.00 5.63 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 63 G 9.34 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 64 Y 7.79 5.00 0.00 2.55 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 0.00 0.00 0.00 65 W 9.17 5.14 0.00 3.33 3.20 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 66 F 8.94 5.11 0.00 1.73 2.59 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 0.00 0.00 0.00 0.00 67 R 8.93 4.07 0.00 1.81 1.78 0.00 2.21 0.00 0.00 2.59 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.92 0.00 68 A 8.19 4.50 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 *74 W 7.80 4.83 0.00 3.40 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.93 4.24 0.00 1.87 1.98 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.50 7.81 76 A 7.87 4.67 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 77 P 0.00 3.76 0.00 2.06 1.12 0.00 3.80 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.76 0.00 78 V 8.57 3.68 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.08 0.00 0.00 79 A 7.55 4.73 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 80 T 8.46 4.87 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 1.30 0.00 0.00 81 N 8.62 4.78 0.00 2.78 2.92 0.00 0.00 5.99 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 82 N 8.16 4.55 0.00 2.39 2.81 0.00 0.00 6.93 8.01 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 83 P 0.00 4.45 0.00 2.23 2.18 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 84 A 8.45 4.37 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 85 W 7.98 4.51 0.00 3.41 3.25 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 86 A 8.54 4.25 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 87 V 8.07 4.15 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 0.74 0.00 0.00 0.87 0.00 0.00 88 Q 8.34 3.67 0.00 1.56 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.79 0.00 0.00 0.00 0.00 0.00 2.21 1.33 0.00 89 E 8.56 3.91 0.00 1.89 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 0.00 2.32 2.22 0.00 90 E 7.69 4.06 0.00 1.54 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 0.00 2.39 2.31 0.00 91 T 7.40 4.45 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 0.58 0.00 0.00 92 R 7.35 3.77 0.00 1.75 1.85 0.00 3.36 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 93 D 8.86 4.53 0.00 2.89 2.81 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 94 R 8.23 4.65 0.00 2.05 2.22 0.00 3.31 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 95 F 8.32 5.17 0.00 2.82 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 96 H 9.07 4.84 0.00 3.02 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.72 4.70 0.00 1.88 1.73 1.22 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.48 4.19 0.00 1.52 1.66 0.58 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.14 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 0.00 100 D 8.64 4.83 0.00 2.73 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 0.00 101 P 0.00 4.79 0.00 2.56 2.48 0.00 3.76 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 102 Q 9.19 4.17 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.42 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 103 T 7.93 4.54 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 1.22 0.00 0.00 104 K 7.71 2.61 0.00 1.77 1.62 0.00 1.38 0.00 0.00 1.42 0.00 0.00 2.36 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.94 1.14 7.81 105 N 7.65 5.30 0.00 2.71 2.94 0.00 0.00 6.82 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 0.00 106 C 8.72 4.85 0.00 2.06 1.27 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 0.00 107 T 8.36 4.23 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 1.19 0.00 0.00 108 L 8.57 5.03 0.00 0.93 0.90 0.51 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.99 5.10 0.00 3.62 3.56 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 0.00 110 I 8.38 4.54 1.44 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.20 0.42 0.00 0.00 111 R 8.44 4.96 0.00 1.72 1.82 0.00 3.21 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 112 D 8.73 4.46 0.00 2.83 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 0.00 113 A 7.89 4.29 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 0.00 114 R 9.06 5.00 0.00 2.00 2.07 0.00 2.93 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 115 M 8.67 4.05 0.00 2.09 2.20 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 2.71 2.55 0.00 116 S 8.00 4.44 0.00 3.94 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 0.00 117 D 8.35 4.73 0.00 2.93 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 0.00 118 A 7.84 4.30 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 0.00 119 G 7.64 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 0.00 0.00 0.00 120 R 7.90 5.29 0.00 1.75 2.06 0.00 3.09 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.67 0.00 121 Y 9.24 5.53 0.00 3.11 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 0.00 122 F 9.37 5.61 0.00 3.35 3.20 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 0.00 123 F 8.68 4.46 0.00 1.51 2.53 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 0.00 124 R 7.77 5.10 0.00 1.99 1.69 0.00 3.00 0.00 0.00 2.87 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 125 M 8.83 5.12 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.95 0.00 126 E 9.02 5.08 0.00 2.08 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 2.28 2.35 0.00 127 K 9.51 4.67 0.00 1.64 1.56 0.00 1.95 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.38 1.66 7.81 128 G 8.92 3.83 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 0.00 0.00 0.00 129 N 9.02 4.56 0.00 2.91 3.00 0.00 0.00 5.90 7.81 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 0.00 130 I 7.96 4.29 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 1.16 0.00 0.00 131 K 8.55 5.16 0.00 1.58 1.64 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.46 7.81 132 W 9.16 4.64 0.00 3.06 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 0.00 133 N 7.64 4.98 0.00 2.12 2.37 0.00 0.00 7.08 7.46 0.00 0.00 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 Y 9.05 4.55 0.00 3.28 3.17 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 0.00 135 K 7.48 3.97 0.00 1.07 1.13 0.00 1.11 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.30 0.47 7.81 136 Y 7.93 4.64 0.00 3.08 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 0.00 137 D 7.92 5.12 0.00 2.87 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 0.00 138 Q 8.08 4.75 0.00 2.07 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.74 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 139 L 9.18 4.82 0.00 1.96 1.75 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 140 S 9.21 5.06 0.00 3.99 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 0.00 141 V 9.27 4.70 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 0.98 0.00 0.00 0.91 0.00 0.00 142 N 9.03 5.30 0.00 2.67 2.69 0.00 0.00 6.01 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 0.00 143 V 8.39 4.86 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.04 0.00 0.00 144 T 8.66 4.59 4.24 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 1.21 0.00 0.00 145 A 8.59 4.50 1.27 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 0.00 0.00 146 L 8.94 4.19 0.00 1.74 1.75 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 147 T 7.58 4.21 4.24 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.