NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4747 8.3349 115.4154 57.4660 63.4879 173.1106 3 N 4.8133 7.7067 116.0326 52.7155 42.5291 173.0158 4 T 4.4374 9.0657 118.2297 63.8566 70.0894 174.2849 5 L 5.0185 7.9762 118.7664 52.8519 44.1927 176.4635 6 F 4.7768 7.8566 118.0918 57.6952 42.5120 171.8583 7 D 5.1371 6.8677 123.0020 52.6850 44.2002 173.6634 8 D 4.4922 7.8691 125.6165 54.4110 44.6492 174.6572 9 I 5.1932 7.4631 122.4333 59.6855 40.2254 174.9415 10 F 5.2110 9.4446 124.3878 55.6169 43.3289 173.7589 11 Q 5.4752 8.8447 119.7483 53.2334 32.0051 173.2113 12 V 3.7840 8.7833 127.2059 63.6699 31.7884 176.1574 13 S 4.1598 9.1308 123.1932 60.6307 62.3039 173.6228 14 E 4.7544 7.8883 118.0893 55.1515 32.9404 173.0065 15 V 4.6724 8.3429 124.3213 61.1427 33.8655 174.2204 16 D 4.8147 9.2109 127.1470 51.8381 44.2429 173.0384 17 P 4.9580 0.0000 0.0000 61.2904 29.9897 175.7151 18 G 3.7104 8.1335 111.9554 46.4980 0.0000 171.1491 19 R 3.8105 8.1999 127.3616 57.8106 27.3130 177.2992 20 Y 5.0929 7.5355 115.2648 55.7671 39.1583 175.6128 21 N 4.3928 8.8793 122.2188 55.7229 38.6122 175.8358 22 K 4.7015 8.0408 113.8705 55.5910 34.7817 175.8441 23 V 4.8310 7.9257 119.4940 61.3524 34.7539 174.2229 24 C 5.1884 9.0220 123.8749 57.9874 32.4458 172.6884 25 R 4.9157 9.3152 123.2350 55.0160 31.4313 174.8749 26 I 5.0146 9.3377 127.4735 59.4512 41.5505 174.0209 27 E 5.7035 8.9177 125.4717 54.5554 33.9424 174.2916 28 A 5.3098 8.8474 124.0791 49.7304 23.4522 174.4455 29 A 4.9535 8.5543 120.4181 50.3444 22.0323 176.2799 30 S 4.1262 8.1739 114.9013 57.4601 63.1430 174.8498 31 T 4.5062 7.7179 124.9509 62.8308 69.8388 174.5597 32 T 4.2917 7.4765 124.9276 63.6336 76.4400 177.3804 33 Q 4.0847 9.1211 129.2237 57.1886 29.5994 176.0301 34 D 4.7802 8.5516 122.7782 55.1644 41.5456 177.2454 35 Q 4.5007 7.9933 119.2096 56.9779 31.9274 175.5778 36 C 5.1144 7.9706 118.0940 59.3358 31.0724 173.2353 37 K 4.8819 8.4727 125.4813 55.1845 34.8062 175.1611 38 L 4.8376 8.1273 120.9130 54.3518 46.0896 174.3888 39 T 5.0681 8.7155 121.7002 61.8029 72.5442 172.7127 40 L 5.0613 9.3923 128.0497 53.8670 46.0869 174.0187 41 D 5.2519 8.8566 126.1620 53.6920 42.2315 176.0833 42 I 4.6784 8.9352 122.9624 59.5907 41.9857 174.6068 43 N 5.2688 9.7444 125.6180 52.1406 38.1432 175.0019 44 V 4.1842 8.0717 121.8543 62.6469 31.3465 175.5071 45 E 4.4384 8.6153 121.5135 56.7798 30.7853 176.6043 46 L 4.5570 7.9226 115.7361 53.6840 41.8854 176.5853 47 F 5.3035 7.4281 119.7879 57.2946 40.4801 171.0027 48 P 4.3251 0.0000 0.0000 62.1680 31.9567 176.8784 49 V 3.8660 7.7578 120.3149 61.8656 33.3741 173.4434 50 A 4.5865 7.6306 128.6211 49.8074 20.6735 176.2591 51 A 3.9089 8.3028 123.6774 54.2652 19.1373 176.5439 52 Q 3.6420 9.3845 119.2334 55.9931 25.5983 172.6484 53 D 4.9066 7.5230 118.3526 52.5978 46.4582 175.7743 54 S 5.0628 8.7971 116.9069 57.4538 63.3710 172.6742 55 L 4.9788 8.6998 126.3806 53.5121 44.4713 175.8813 56 T 4.9468 8.5619 120.0641 62.4915 69.7327 174.2689 57 V 4.7995 8.9762 127.4105 61.8925 33.9139 174.9906 58 T 5.5393 7.9350 119.8294 63.0431 72.8336 173.0555 59 I 4.7518 8.6175 126.5443 60.0108 41.5849 177.7942 60 A 4.1982 9.3554 132.7265 53.3109 18.2815 178.9304 61 S 5.0335 8.0531 115.8314 55.5806 62.1634 172.6367 62 S 4.3741 6.5487 112.7616 59.7222 66.2988 176.5605 63 L 4.5311 7.2033 119.2719 54.7852 42.4691 176.5664 64 N 4.5244 7.5403 112.9901 54.7513 41.0224 175.6830 *76 T 4.2476 7.3868 106.0254 61.2418 70.4518 172.6425 77 R 4.3254 8.0832 116.5922 56.7891 34.8668 172.5107 78 S 4.1894 8.6629 111.2014 58.6728 62.7105 175.0527 79 W 4.4206 8.8729 135.0000 57.3531 31.2818 175.1033 80 R 4.4755 7.0190 122.0498 53.3111 33.0808 176.3473 81 P 3.9567 0.0000 0.0000 61.2533 32.4263 173.6353 82 P 4.0484 0.0000 0.0000 63.0725 30.6510 178.5664 83 Q 3.8896 9.1959 122.2321 57.0004 30.0809 173.8934 84 A 4.1978 9.1431 117.7375 52.4640 17.9798 178.1756 85 G 4.0391 7.5992 109.0897 49.1943 0.0000 173.8411 86 D 4.5966 7.6506 118.1326 51.9990 41.5061 173.7480 87 R 4.6015 7.7995 122.3443 54.0933 34.5702 174.7569 88 S 4.3411 8.3668 115.4923 59.2560 63.4888 175.1503 89 L 4.4195 7.6667 115.5302 55.4077 40.8763 174.9003 90 A 4.2000 8.6080 125.5671 54.0774 18.3214 179.2502 91 D 4.5318 8.6294 114.8863 55.1099 38.6991 178.5302 92 D 4.6346 8.1296 117.3637 55.2413 39.9457 175.4662 93 Y 4.7991 8.8386 119.0271 56.8651 41.3106 175.4891 94 D 4.9152 8.2893 121.4998 54.0074 42.7860 175.7507 95 Y 4.3793 7.2415 115.8143 57.1395 41.9087 172.3085 96 V 4.8638 8.4429 127.0404 61.5685 34.3295 174.4808 97 M 4.7152 8.7076 127.1827 53.8619 35.5890 173.9824 98 Y 5.3976 8.3155 119.6540 56.9944 41.8055 174.4862 99 G 3.9562 8.2949 112.1136 46.3096 0.0000 172.0759 100 T 5.2640 8.8171 115.5127 60.4815 73.1282 173.0267 101 A 4.0857 7.6021 123.7211 51.0670 19.2253 176.4567 102 Y 4.5990 8.5376 121.1933 57.6707 40.1634 176.3563 103 K 4.7016 7.3252 119.5857 54.3136 36.0119 175.1303 104 F 4.9519 8.8723 124.7537 55.4289 38.6473 174.3181 105 E 4.1447 9.0762 123.5520 56.2152 31.3203 175.2531 106 E 4.7828 8.5434 125.1496 53.5201 29.3747 177.8938 107 V 3.7681 8.0898 131.8958 63.1849 30.7203 176.3606 108 S 3.4018 8.8186 113.7920 59.1134 65.4396 174.7554 109 K 3.9390 9.2731 124.3865 57.3816 30.7199 176.5830 110 D 4.6020 9.1502 109.6853 52.8995 40.2118 175.2360 111 L 4.9572 8.2829 121.4968 53.5746 43.2167 175.4975 112 I 4.7717 8.1629 124.2318 59.2680 40.9550 173.9781 113 A 5.5590 8.6588 127.8026 49.1861 22.5373 175.4016 114 V 4.2221 7.8401 113.6912 59.4492 35.4363 174.0816 115 Y 4.9695 8.5049 121.5533 56.3762 40.5772 174.4473 116 Y 4.9368 9.0868 120.8977 56.0937 42.3803 174.3328 117 S 4.8002 9.1476 117.6399 56.5734 65.4592 173.0498 118 F 4.8411 9.4634 127.9461 55.9527 38.2280 175.5419 119 G 3.8918 9.1307 115.4868 46.6516 0.0000 170.9669 120 G 3.9373 7.6022 110.8624 45.6921 0.0000 175.1006 121 L 4.1765 8.0933 122.7833 54.4248 42.8196 176.8598 122 L 5.1712 9.0498 125.0788 54.2293 44.5827 175.0029 123 M 5.0275 8.3683 115.7913 55.2015 36.3296 173.4273 124 R 4.7820 8.9604 125.2570 54.3914 33.8305 173.6375 125 L 5.1495 8.0351 125.9611 52.4743 46.3842 174.4292 126 E 5.8072 7.9891 119.8575 54.4836 34.8298 175.2216 127 G 3.9643 9.4105 111.8661 43.7784 0.0000 173.5218 128 N 3.9182 6.4810 122.6384 52.6016 38.2254 172.6859 129 Y 4.9251 6.0733 114.2806 56.5511 41.5751 175.9862 130 R 4.6103 7.5645 120.5808 56.4981 30.6566 178.2664 131 N 4.4765 8.3318 117.0641 55.8137 38.9296 176.3350 132 L 4.8515 7.9146 115.4475 54.3347 42.0287 175.9412 133 N 4.9366 7.3325 113.5525 54.5981 41.9986 174.3760 134 N 5.0962 8.0068 120.1046 53.5787 36.9028 174.9995 135 L 4.2452 7.9153 121.1499 54.8444 42.7294 178.3768 136 K 3.9657 8.3328 119.4209 56.8007 32.4130 177.6136 137 Q 4.1873 7.4725 118.0777 55.8601 29.2527 177.3030 138 E 3.8153 8.8317 119.8722 59.2250 29.9318 176.9882 139 N 4.6855 8.1262 114.2504 53.4493 39.0702 172.1885 140 A 4.1354 8.6206 120.3748 51.9354 18.7804 174.9425 141 Y 4.9041 9.0683 121.0485 57.4378 40.1055 174.7258 142 L 4.7042 8.6606 126.1114 53.7022 44.3388 175.1290 143 L 5.2015 8.0054 123.2180 53.2141 46.4786 175.4215 144 I 5.6979 8.5750 121.3326 59.7950 41.9732 174.3213 145 R 4.9677 8.9211 122.3239 55.2505 33.2944 175.5929 146 R 4.2304 8.6159 119.4841 56.7384 31.7090 175.7020 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 4.47 0.00 3.99 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 3 N 7.71 4.81 0.00 2.83 2.72 0.00 0.00 7.02 6.17 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 4 T 9.07 4.44 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 1.33 0.00 0.00 5 L 7.98 5.02 0.00 1.72 1.78 1.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.86 4.78 0.00 3.17 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 7 D 6.87 5.14 0.00 2.60 2.30 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 8 D 7.87 4.49 0.00 2.40 2.46 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 0.00 0.00 0.00 0.00 9 I 7.46 5.19 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.99 0.00 0.00 10 F 9.44 5.21 0.00 2.95 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 11 Q 8.84 5.48 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 12 V 8.78 3.78 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 0.88 0.00 0.00 0.99 0.00 0.00 13 S 9.13 4.16 0.00 3.90 4.13 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 14 E 7.89 4.75 0.00 2.05 1.71 0.00 0.00 0.00 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 2.28 0.00 15 V 8.34 4.67 2.06 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 0.82 0.00 0.00 0.95 0.00 0.00 16 D 9.21 4.81 0.00 2.78 2.46 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 0.00 0.00 0.00 0.00 17 P 0.00 4.96 0.00 2.13 2.07 0.00 3.83 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 1.90 1.95 0.00 18 G 8.13 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.20 3.81 0.00 1.66 1.89 0.00 3.26 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 20 Y 7.54 5.09 0.00 3.02 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 21 N 8.88 4.39 0.00 2.75 2.95 0.00 0.00 6.97 7.61 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 22 K 8.04 4.70 0.00 1.63 1.76 0.00 1.60 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.40 7.81 23 V 7.93 4.83 1.82 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 0.78 0.00 0.00 0.86 0.00 0.00 24 C 9.02 5.19 0.00 2.87 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 25 R 9.32 4.92 0.00 2.06 1.83 0.00 3.09 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 26 I 9.34 5.01 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.27 0.87 0.00 0.00 27 E 8.92 5.70 0.00 1.86 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 2.39 2.09 0.00 28 A 8.85 5.31 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 29 A 8.55 4.95 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 30 S 8.17 4.13 0.00 3.36 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 31 T 7.72 4.51 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 1.17 0.00 0.00 32 T 7.48 4.29 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 1.05 0.00 0.00 33 Q 9.12 4.08 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.13 0.00 0.00 0.00 0.00 0.00 2.79 2.42 0.00 34 D 8.55 4.78 0.00 2.66 2.68 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 35 Q 7.99 4.50 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.23 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 36 C 7.97 5.11 0.00 3.30 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 37 K 8.47 4.88 0.00 1.75 1.73 0.00 1.96 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.64 7.81 38 L 8.13 4.84 0.00 1.44 1.40 0.72 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.72 5.07 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 1.32 0.00 0.00 40 L 9.39 5.06 0.00 1.58 1.35 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.86 5.25 0.00 2.72 2.63 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 42 I 8.94 4.68 1.79 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.87 0.84 0.00 0.00 43 N 9.74 5.27 0.00 2.82 2.88 0.00 0.00 6.73 7.41 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 44 V 8.07 4.18 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 1.07 0.00 0.00 1.00 0.00 0.00 45 E 8.62 4.44 0.00 1.98 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 2.25 2.26 0.00 46 L 7.92 4.56 0.00 1.71 1.68 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.43 5.30 0.00 3.30 3.42 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 48 P 0.00 4.33 0.00 2.00 1.91 0.00 3.80 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 2.04 2.21 0.00 49 V 7.76 3.87 1.83 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 0.60 0.00 0.00 0.13 0.00 0.00 50 A 7.63 4.59 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 51 A 8.30 3.91 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 52 Q 9.38 3.64 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 53 D 7.52 4.91 0.00 2.55 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 54 S 8.80 5.06 0.00 3.91 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 55 L 8.70 4.98 0.00 1.73 1.70 0.95 0.93 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 56 T 8.56 4.95 4.40 0.00 0.00 0.00 0.00 0.00 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 V 8.98 4.80 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 1.30 0.00 0.00 0.81 0.00 0.00 58 T 7.94 5.54 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 1.34 0.00 0.00 59 I 8.62 4.75 2.03 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.44 1.01 0.00 0.00 60 A 9.36 4.20 1.44 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 0.00 0.00 61 S 8.05 5.03 0.00 4.25 4.11 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 62 S 6.55 4.37 0.00 3.87 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 63 L 7.20 4.53 0.00 1.46 1.42 0.75 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.54 4.52 0.00 2.64 2.72 0.00 0.00 6.82 7.42 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 *76 T 7.39 4.25 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 77 R 8.08 4.33 0.00 1.92 1.97 0.00 3.28 0.00 0.00 3.18 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 78 S 8.66 4.19 0.00 3.93 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 79 W 8.87 4.42 0.00 3.29 3.15 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 80 R 7.02 4.48 0.00 1.42 1.46 0.00 3.15 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 81 P 0.00 3.96 0.00 1.91 1.95 0.00 3.46 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 82 P 0.00 4.05 0.00 2.17 2.02 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 2.02 1.94 0.00 83 Q 9.20 3.89 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.15 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 84 A 9.14 4.20 1.22 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 85 G 7.60 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 86 D 7.65 4.60 0.00 2.56 2.51 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 87 R 7.80 4.60 0.00 1.82 1.74 0.00 3.19 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 88 S 8.37 4.34 0.00 3.81 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 89 L 7.67 4.42 0.00 2.15 1.73 0.96 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.61 4.20 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 91 D 8.63 4.53 0.00 2.83 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 92 D 8.13 4.63 0.00 2.59 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 93 Y 8.84 4.80 0.00 2.73 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 94 D 8.29 4.92 0.00 2.12 2.49 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 0.00 95 Y 7.24 4.38 0.00 2.55 2.39 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 96 V 8.44 4.86 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 1.00 0.00 0.00 0.93 0.00 0.00 97 M 8.71 4.72 0.00 1.72 1.36 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.33 0.00 98 Y 8.32 5.40 0.00 2.53 2.70 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 99 G 8.29 3.96 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 0.00 0.00 0.00 100 T 8.82 5.26 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 1.12 0.00 0.00 101 A 7.60 4.09 0.66 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 0.00 0.00 102 Y 8.54 4.60 0.00 2.88 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 0.00 103 K 7.33 4.70 0.00 1.70 1.46 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.47 7.81 104 F 8.87 4.95 0.00 2.85 2.99 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 0.00 105 E 9.08 4.14 0.00 2.39 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 0.00 2.37 2.37 0.00 106 E 8.54 4.78 0.00 1.89 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 2.23 2.30 0.00 107 V 8.09 3.77 2.18 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 0.77 0.00 0.00 0.91 0.00 0.00 108 S 8.82 3.40 0.00 4.15 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 0.00 109 K 9.27 3.94 0.00 1.91 1.43 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.42 7.81 110 D 9.15 4.60 0.00 2.79 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 0.00 111 L 8.28 4.96 0.00 1.75 1.62 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.16 4.77 1.84 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.29 0.80 0.00 0.00 113 A 8.66 5.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.84 4.22 1.58 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 -0.69 0.00 0.00 0.68 0.00 0.00 115 Y 8.50 4.97 0.00 1.84 1.64 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 0.00 116 Y 9.09 4.94 0.00 2.75 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 0.00 0.00 0.00 0.00 117 S 9.15 4.80 0.00 3.64 3.46 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 0.00 0.00 0.00 0.00 118 F 9.46 4.84 0.00 2.99 3.09 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 0.00 119 G 9.13 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 0.00 120 G 7.60 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 0.00 121 L 8.09 4.18 0.00 1.85 1.80 1.01 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.05 5.17 0.00 1.84 1.80 1.01 0.98 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 0.00 123 M 8.37 5.03 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 124 R 8.96 4.78 0.00 1.64 1.53 0.00 2.94 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 125 L 8.04 5.15 0.00 1.47 1.12 0.75 -0.05 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 0.00 126 E 7.99 5.81 0.00 2.05 1.74 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 2.16 2.07 0.00 127 G 9.41 3.96 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 0.00 0.00 0.00 128 N 6.48 3.92 0.00 2.75 2.90 0.00 0.00 6.61 7.54 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 0.00 129 Y 6.07 4.93 0.00 3.13 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 0.00 130 R 7.56 4.61 0.00 1.96 2.20 0.00 3.78 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 131 N 8.33 4.48 0.00 2.76 2.93 0.00 0.00 6.96 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 0.00 132 L 7.91 4.85 0.00 1.63 1.66 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.33 4.94 0.00 2.78 3.00 0.00 0.00 7.04 6.22 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 0.00 134 N 8.01 5.10 0.00 2.79 2.95 0.00 0.00 6.89 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 0.00 135 L 7.92 4.25 0.00 1.82 1.68 0.98 0.95 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 0.00 136 K 8.33 3.97 0.00 1.38 1.27 0.00 1.37 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.44 0.21 7.81 137 Q 7.47 4.19 0.00 2.41 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 138 E 8.83 3.82 0.00 1.97 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 2.25 2.21 0.00 139 N 8.13 4.69 0.00 3.06 3.05 0.00 0.00 6.90 7.35 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 0.00 140 A 8.62 4.14 1.83 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 0.00 141 Y 9.07 4.90 0.00 2.96 2.91 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 0.00 142 L 8.66 4.70 0.00 1.52 1.12 0.87 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.01 5.20 0.00 0.29 0.13 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.58 5.70 1.72 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.86 0.98 0.00 0.00 145 R 8.92 4.97 0.00 1.74 1.88 0.00 2.69 0.00 0.00 2.59 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 146 R 8.62 4.23 0.00 2.00 2.38 0.00 3.32 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.