NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2398 8.4444 121.4694 55.3493 30.8339 174.9796 2 V 3.5291 8.1774 122.0233 62.9682 32.0865 173.5932 3 Q 4.7956 9.6742 126.2556 54.0274 32.9182 173.9839 4 L 5.0404 8.4555 122.0478 52.9750 44.9601 175.3192 5 V 4.4648 8.7314 124.3366 61.1371 33.9195 174.3883 6 E 5.2892 8.7656 127.1205 54.6746 31.7101 175.7734 7 S 4.4367 8.6199 117.6276 58.0575 64.3395 173.6881 8 G 4.0287 8.4807 107.6628 45.0867 0.0000 173.2755 9 A 4.5255 8.5624 121.4350 52.6210 19.0348 176.9843 10 E 4.7476 9.1243 118.7617 54.4544 33.9219 175.0555 11 V 4.9109 8.4109 122.1381 61.2210 34.0618 174.6517 12 K 4.8241 9.2003 126.0683 54.7018 37.1171 175.6150 13 K 5.1547 8.0439 119.9950 53.8726 34.0453 175.0466 14 P 4.4942 0.0000 0.0000 64.5193 31.7035 177.0230 15 G 3.9606 9.2343 111.3477 45.1680 0.0000 173.5618 16 S 4.6677 7.5904 114.2330 57.5030 66.2899 173.1177 17 S 5.3152 8.4781 113.8113 57.0032 67.0389 173.7208 18 V 4.5271 8.4543 120.6321 59.7677 34.8583 174.2311 19 K 4.7935 8.5719 123.8559 54.7705 34.2614 174.9922 20 V 4.5364 8.5798 128.2611 61.0937 34.2542 174.5097 21 S 5.2783 9.0581 120.8688 56.7349 66.6482 172.1232 22 C 5.3115 8.9585 120.6278 54.9812 47.7343 172.3291 23 K 4.9643 9.3531 128.5135 54.7368 33.6003 174.8087 24 A 4.9464 8.7706 130.7626 51.0008 19.5907 177.2895 25 S 4.1477 8.7738 117.6425 59.3531 64.3665 176.1585 26 G 3.8308 8.7219 107.3778 46.2175 0.0000 172.7730 27 G 3.9883 8.4361 109.8298 46.2546 0.0000 174.2833 28 P 4.6347 0.0000 0.0000 64.0603 31.9456 177.1287 29 F 4.1090 8.3262 117.6051 57.1895 39.5530 174.2004 30 R 4.4930 8.0814 121.6916 54.5475 32.9539 175.7027 31 S 4.6170 8.4192 115.1085 58.0844 63.6299 173.2105 32 Y 4.8932 6.5359 117.7282 55.0530 40.8173 174.8775 33 A 4.6413 8.7564 123.2087 52.0122 20.5067 176.4705 34 I 4.9953 8.4315 118.7381 59.8213 41.4745 175.1798 35 S 5.3386 8.9549 121.6352 56.6134 66.9917 172.7053 36 W 5.0955 8.9665 121.1650 55.0569 31.7265 175.4732 37 V 5.0883 9.2558 124.0852 61.1670 34.7121 174.3007 38 R 5.0821 9.0939 123.0889 54.5751 33.4581 174.6302 39 Q 4.7390 8.6791 120.7978 54.7829 31.8586 173.7832 40 A 4.6281 8.6537 129.1382 50.8295 19.9863 174.8237 41 P 4.6000 0.0000 0.0000 62.6704 32.2379 177.2461 42 G 3.9461 8.3769 110.4866 43.8042 0.0000 172.2102 43 Q 4.6734 8.8399 124.6427 53.5353 32.4416 175.6484 44 G 3.9337 8.2996 108.1388 44.4828 0.0000 171.7066 45 P 4.8923 0.0000 0.0000 62.5661 32.4718 176.1136 46 E 4.8777 9.4047 121.2777 54.3396 33.4732 174.8428 47 W 4.5765 9.2761 135.0000 58.0786 31.1075 175.3881 48 M 4.0901 9.1144 127.6683 55.8606 33.1172 176.5353 49 G 3.3324 6.1504 103.9823 46.3855 0.0000 170.8690 50 G 4.7611 7.8805 106.1959 45.4216 0.0000 171.9003 51 I 5.2630 8.7808 119.1448 59.2598 41.8543 173.8383 52 I 4.7407 8.3820 129.4710 59.2051 38.9895 174.0127 52A P 4.5543 0.0000 0.0000 63.5622 32.1795 175.5251 53 I 3.5052 8.4514 124.1854 62.8580 35.3733 175.5425 54 F 4.0150 8.0682 117.8710 58.6958 38.9291 177.4152 55 G 3.9946 8.1696 105.7977 45.8992 0.0000 173.8118 56 T 4.2307 7.5067 117.1440 63.8285 69.4807 173.4969 57 T 5.0139 8.3729 114.3263 59.8425 72.0112 173.3377 58 K 4.5806 8.3919 121.2840 54.9171 36.1631 174.9919 59 Y 5.2849 8.4922 120.5921 55.7299 41.5110 175.5410 60 A 4.5383 8.8040 125.5570 51.6221 19.1310 177.1437 61 P 4.2756 0.0000 0.0000 65.6262 31.6005 178.8850 62 K 3.5199 7.9971 117.6143 58.2451 32.3091 176.8913 63 F 4.7873 7.9992 115.6233 56.8833 40.8340 175.1221 64 Q 4.0759 7.3915 122.2470 57.7144 29.1099 175.8541 65 G 4.0894 9.3989 113.2297 45.0496 0.0000 173.8333 66 R 4.7028 8.5194 113.6283 55.2313 31.4163 175.0602 67 V 4.6786 7.5130 118.9147 60.3414 33.9664 175.0821 68 T 4.5609 8.9159 120.0257 61.8184 71.7899 172.7042 69 I 5.1166 9.1202 128.0069 59.8445 39.2054 175.1687 70 T 4.9848 8.9825 115.6720 59.9451 72.8023 172.4276 71 A 5.1057 8.5678 122.3118 50.3437 22.4431 175.4248 72 D 4.7420 9.1820 121.9827 52.6676 42.2069 176.5268 73 D 3.9682 8.4620 127.1096 56.7985 41.0914 179.2426 74 F 4.2614 8.1883 116.3949 59.8121 39.0594 175.7949 75 A 4.3502 8.0765 121.6496 51.6077 19.1130 177.2807 76 G 3.9309 7.9560 104.3025 46.7332 0.0000 173.2596 77 T 5.0658 7.6198 114.9320 61.3400 72.4145 173.8226 78 V 4.9862 8.4743 117.6008 59.8404 35.7670 174.2590 79 Y 5.2693 9.2108 119.7785 56.4663 42.4196 174.1966 80 M 4.6705 8.4887 121.8532 53.5011 35.2320 173.5876 81 E 4.9165 9.1019 127.6321 54.1495 32.6206 174.0171 82 L 5.0928 8.5908 129.1624 53.3015 44.7305 175.6309 82A S 4.7675 8.6049 120.8543 55.1087 65.9461 173.6015 82B S 3.6759 8.3853 112.8535 59.4217 60.2860 173.2891 82C L 4.3116 8.0395 119.7484 55.0699 42.5787 177.4057 83 R 4.9812 9.5974 121.2716 53.8052 33.7932 177.0878 84 S 4.4695 8.5550 113.5946 61.4903 62.9732 175.7637 85 E 4.2752 8.1098 115.8819 57.2799 29.4097 176.7463 86 D 4.7097 8.5146 119.2745 55.4876 41.1633 176.3583 87 T 4.3907 7.9927 117.3729 64.3559 68.7351 173.4844 88 A 4.4067 8.7992 126.8171 51.3033 23.7311 174.3587 89 M 4.5551 8.5304 119.8854 55.3428 33.7356 174.5107 90 Y 4.8392 9.3036 124.3097 56.5607 40.5371 174.1139 91 Y 5.4177 9.5159 123.0180 56.3184 40.8210 173.0239 92 C 4.2858 8.7509 117.8022 54.7003 43.7666 172.2201 93 A 4.7094 8.1693 121.3842 50.4417 22.5265 175.7394 94 K 4.6768 8.5101 121.0423 56.0949 35.2588 175.7820 95 H 5.2351 8.5511 118.9430 54.0578 30.1513 175.5835 96 M 4.1858 8.7229 118.8564 57.5577 32.4985 176.4173 97 G 4.2944 7.5946 106.3417 44.3765 0.0000 171.8809 98 Y 4.2859 8.9207 116.0806 58.8623 38.5560 175.5511 99 Q 4.1947 7.2175 119.2601 53.7991 30.2880 175.5022 100 V 3.2558 7.9419 121.6060 63.1486 32.3603 175.4803 100A R 4.2983 7.3903 123.7448 55.6741 33.5528 174.8217 100B E 3.8437 8.6441 115.6189 58.6266 29.4937 176.5512 100C T 4.4072 7.4612 117.5343 62.1805 69.2330 173.5327 100D M 4.8158 8.5522 126.3879 53.5351 34.3588 175.1093 101 D 4.6911 8.3739 123.6351 53.9985 40.7815 177.1391 102 V 4.5420 7.3668 118.9870 60.6365 34.4545 173.7255 103 W 4.9314 8.7557 126.0013 54.3508 31.8935 175.5799 104 G 3.9584 8.6451 111.6480 45.3383 0.0000 173.8778 105 K 4.2280 8.5273 117.6935 57.1716 32.4675 178.7395 106 G 3.7826 8.7669 105.0892 45.7541 0.0000 172.7540 107 T 4.7146 8.5610 115.1821 60.2325 71.2992 172.8345 108 T 4.7964 8.4866 124.1961 63.0493 70.4826 173.6041 109 V 4.8704 9.1129 125.9130 61.3848 34.6159 174.0963 110 T 4.9672 9.0395 124.7257 61.8211 71.1042 173.1002 111 V 4.8176 8.5832 127.2258 61.3005 33.0272 174.7911 112 S 4.7932 9.1223 122.0055 56.9290 65.8048 174.9487 113 S 4.1735 8.6889 118.3219 59.9538 63.4015 174.6366 114 A 3.8439 7.5078 124.4741 52.1791 18.4159 176.6436 115 S 4.8645 7.9026 115.3769 56.5047 65.6153 174.0355 116 T 4.6544 8.4151 117.1103 62.4027 67.7485 173.3787 117 K 4.7461 9.4663 129.2338 54.9746 36.2770 175.0726 118 G 4.5236 8.6692 112.0487 44.2575 0.0000 171.4722 119 P 4.8946 0.0000 0.0000 62.3138 32.6082 175.6355 120 S 4.6437 8.9606 117.8375 56.9688 65.5369 172.8781 121 V 4.7098 7.7877 121.3869 61.1301 33.6761 174.5347 122 F 5.1267 8.8889 126.2849 54.7917 42.3466 173.2459 123 P 4.5500 0.0000 0.0000 62.8877 31.1216 174.4028 124 L 4.4522 7.8062 119.3177 55.7239 45.1441 176.3571 *141 G 3.7443 7.5983 109.3116 45.9167 0.0000 171.2028 142 C 4.6392 7.9550 119.5240 58.3803 34.2871 172.8917 143 L 4.6382 8.3254 125.4748 53.6231 45.1257 175.3119 144 V 4.7837 8.6143 127.9562 61.3703 32.7863 174.4662 145 K 5.1687 9.1222 126.8300 55.5561 36.4638 174.7020 146 D 5.5293 8.8674 121.1995 52.7932 43.6579 174.7148 147 Y 5.2516 8.1765 120.2129 55.3829 42.3023 174.0589 148 F 4.9807 8.6075 117.4870 57.1788 43.2922 171.3013 149 P 4.3122 0.0000 0.0000 62.8017 31.1414 175.0084 150 E 4.8327 8.3996 117.1671 53.9505 32.8508 174.3525 151 P 4.9593 0.0000 0.0000 62.9724 32.0633 176.8916 152 V 4.4120 7.6270 104.2398 61.7396 32.3829 171.4329 153 T 3.8068 8.0872 118.6254 63.5058 68.9335 176.4647 *173 T 4.2295 8.1738 107.9020 60.5164 70.7665 174.3875 174 F 4.2580 8.8693 121.3735 56.3646 39.7242 173.9559 175 P 4.3149 0.0000 0.0000 62.7422 31.7830 175.9590 176 A 4.5230 8.5983 123.0406 52.6010 19.1623 177.5418 177 V 4.3086 9.9000 121.8700 60.5096 34.2645 174.7605 178 L 4.7305 8.2780 123.4373 53.4396 43.8513 176.1980 179 Q 4.3838 8.6478 126.4178 55.1177 29.9232 176.6715 180 S 4.0571 8.5165 115.0939 61.3068 63.0263 176.4456 *182 S 4.0592 8.0074 113.1859 56.9803 64.0889 174.4808 183 G 3.5953 7.7605 107.8198 46.0882 0.0000 173.6611 184 L 4.5861 6.9481 118.8584 53.2672 44.5002 175.3175 185 Y 4.8094 8.8188 120.5676 56.9198 38.8418 174.8071 186 S 5.4324 8.6774 121.4385 56.9275 65.4385 173.6200 187 L 4.7776 8.9820 123.4743 54.0677 44.2598 176.6387 188 S 4.4616 8.7303 114.0017 58.5713 62.5692 173.6513 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 E 8.44 4.24 0.00 1.93 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 2.13 2.26 0.00 2 V 8.18 3.53 1.95 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 0.84 0.00 0.00 0.91 0.00 0.00 3 Q 9.67 4.80 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 4 L 8.46 5.04 0.00 1.57 1.49 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.73 4.46 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 0.94 0.00 0.00 6 E 8.77 5.29 0.00 1.96 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 2.24 2.32 0.00 7 S 8.62 4.44 0.00 3.93 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 8 G 8.48 4.03 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 0.00 0.00 0.00 9 A 8.56 4.53 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 10 E 9.12 4.75 0.00 1.81 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 0.00 2.36 2.29 0.00 11 V 8.41 4.91 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 0.96 0.00 0.00 0.88 0.00 0.00 12 K 9.20 4.82 0.00 1.65 1.61 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.50 7.81 13 K 8.04 5.15 0.00 1.79 1.70 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.40 7.81 14 P 0.00 4.49 0.00 2.02 1.99 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 15 G 9.23 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 16 S 7.59 4.67 0.00 3.92 4.03 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 17 S 8.48 5.32 0.00 3.69 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 18 V 8.45 4.53 1.95 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 0.48 0.00 0.00 0.78 0.00 0.00 19 K 8.57 4.79 0.00 1.64 1.65 0.00 1.61 0.00 0.00 1.49 0.00 0.00 2.15 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.31 7.81 20 V 8.58 4.54 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 1.17 0.00 0.00 0.67 0.00 0.00 21 S 9.06 5.28 0.00 3.60 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 22 C 8.96 5.31 0.00 2.84 3.04 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 23 K 9.35 4.96 0.00 1.79 1.64 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.48 7.81 24 A 8.77 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 25 S 8.77 4.15 0.00 3.90 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 26 G 8.72 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 27 G 8.44 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 0.00 0.00 0.00 28 P 0.00 4.63 0.00 2.48 2.25 0.00 3.48 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 29 F 8.33 4.11 0.00 2.96 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 30 R 8.08 4.49 0.00 1.34 0.81 0.00 2.58 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.32 0.00 31 S 8.42 4.62 0.00 4.03 3.97 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 0.00 0.00 0.00 32 Y 6.54 4.89 0.00 3.21 3.01 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 33 A 8.76 4.64 1.40 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 0.00 0.00 0.00 34 I 8.43 5.00 1.88 0.00 0.00 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 1.30 0.95 0.70 0.00 0.00 35 S 8.95 5.34 0.00 3.78 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 36 W 8.97 5.10 0.00 3.17 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 37 V 9.26 5.09 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 1.36 0.00 0.00 1.04 0.00 0.00 38 R 9.09 5.08 0.00 0.95 1.51 0.00 2.36 0.00 0.00 2.86 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.40 0.00 39 Q 8.68 4.74 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 40 A 8.65 4.63 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 41 P 0.00 4.60 0.00 2.23 2.10 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 42 G 8.38 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 43 Q 8.84 4.67 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 44 G 8.30 3.93 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 0.00 0.00 0.00 45 P 0.00 4.89 0.00 2.13 2.16 0.00 3.68 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 2.06 2.11 0.00 46 E 9.40 4.88 0.00 2.02 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 2.37 2.36 0.00 47 W 9.28 4.58 0.00 3.36 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 48 M 9.11 4.09 0.00 1.57 2.02 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 1.17 0.00 49 G 6.15 3.33 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 0.00 50 G 7.88 4.76 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 0.00 0.00 0.00 51 I 8.78 5.26 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.66 1.04 0.00 0.00 52 I 8.38 4.74 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 1.25 0.00 0.00 52A P 0.00 4.55 0.00 2.22 1.98 0.00 4.24 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 53 I 8.45 3.51 1.69 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 1.40 0.61 0.60 0.00 0.00 54 F 8.07 4.01 0.00 3.20 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 55 G 8.17 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 0.00 0.00 0.00 56 T 7.51 4.23 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 1.20 0.00 0.00 57 T 8.37 5.01 3.51 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 1.24 0.00 0.00 58 K 8.39 4.58 0.00 1.90 1.94 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.40 7.81 59 Y 8.49 5.28 0.00 3.11 2.75 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 60 A 8.80 4.54 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 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.28 0.00 2.21 2.16 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 62 K 8.00 3.52 0.00 1.47 1.26 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 1.04 7.81 63 F 8.00 4.79 0.00 3.06 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 64 Q 7.39 4.08 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 65 G 9.40 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 0.00 0.00 0.00 66 R 8.52 4.70 0.00 1.77 2.06 0.00 2.96 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 67 V 7.51 4.68 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 0.27 0.00 0.00 0.75 0.00 0.00 68 T 8.92 4.56 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 1.24 0.00 0.00 69 I 9.12 5.12 2.09 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 1.31 0.72 1.17 0.00 0.00 70 T 8.98 4.98 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 1.24 0.00 0.00 71 A 8.57 5.11 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 72 D 9.18 4.74 0.00 2.91 2.76 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 73 D 8.46 3.97 0.00 1.77 1.54 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 74 F 8.19 4.26 0.00 3.10 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 75 A 8.08 4.35 1.43 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 0.00 0.00 76 G 7.96 3.93 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 0.00 0.00 0.00 77 T 7.62 5.07 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 0.66 0.00 0.00 78 V 8.47 4.99 2.27 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 0.74 0.00 0.00 0.98 0.00 0.00 79 Y 9.21 5.27 0.00 2.82 2.75 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 80 M 8.49 4.67 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.08 0.00 81 E 9.10 4.92 0.00 1.88 1.63 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 2.07 2.26 0.00 82 L 8.59 5.09 0.00 1.53 1.25 0.92 0.61 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 82A S 8.60 4.77 0.00 3.84 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 82B S 8.39 3.68 0.00 3.97 3.91 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 82C L 8.04 4.31 0.00 1.69 1.59 0.87 1.00 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 83 R 9.60 4.98 0.00 1.82 1.96 0.00 3.14 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 84 S 8.55 4.47 0.00 4.01 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 85 E 8.11 4.28 0.00 2.15 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 2.32 2.31 0.00 86 D 8.51 4.71 0.00 2.86 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 87 T 7.99 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 1.30 0.00 0.00 88 A 8.80 4.41 0.94 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 89 M 8.53 4.56 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.00 0.00 90 Y 9.30 4.84 0.00 3.03 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 91 Y 9.52 5.42 0.00 3.14 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 92 C 8.75 4.29 0.00 2.20 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 93 A 8.17 4.71 -0.15 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 94 K 8.51 4.68 0.00 1.54 1.78 0.00 0.61 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.28 7.81 95 H 8.55 5.24 0.00 3.22 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 M 8.72 4.19 0.00 2.01 2.12 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 2.58 2.64 0.00 97 G 7.59 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 98 Y 8.92 4.29 0.00 3.06 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 99 Q 7.22 4.19 0.00 1.63 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.00 100 V 7.94 3.26 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 0.79 0.00 0.00 1.02 0.00 0.00 100A R 7.39 4.30 0.00 1.73 1.69 0.00 3.07 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 1.46 1.42 0.00 100B E 8.64 3.84 0.00 2.02 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 2.24 2.23 0.00 100C T 7.46 4.41 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 100D M 8.55 4.82 0.00 1.27 1.78 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.89 0.00 101 D 8.37 4.69 0.00 2.77 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 0.00 102 V 7.37 4.54 1.95 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 1.16 0.00 0.00 0.87 0.00 0.00 103 W 8.76 4.93 0.00 3.11 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 112 S 9.12 4.79 0.00 3.90 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 0.00 113 S 8.69 4.17 0.00 3.94 3.91 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 0.00 114 A 7.51 3.84 0.04 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 0.00 115 S 7.90 4.86 0.00 3.86 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 0.00 116 T 8.42 4.65 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 1.28 0.00 0.00 117 K 9.47 4.75 0.00 1.91 1.69 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.45 7.81 118 G 8.67 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.89 0.00 2.07 2.13 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.75 0.00 120 S 8.96 4.64 0.00 3.54 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 0.00 121 V 7.79 4.71 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 0.78 0.00 0.00 0.84 0.00 0.00 122 F 8.89 5.13 0.00 3.01 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 0.00 123 P 0.00 4.55 0.00 2.10 2.03 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 124 L 7.81 4.45 0.00 1.60 1.55 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 *141 G 7.60 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 0.00 0.00 0.00 142 C 7.95 4.64 0.00 2.91 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 0.00 143 L 8.33 4.64 0.00 1.87 1.84 1.00 1.07 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 0.00 144 V 8.61 4.78 2.12 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 0.85 0.00 0.00 0.91 0.00 0.00 145 K 9.12 5.17 0.00 1.95 1.98 0.00 1.48 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.64 7.81 146 D 8.87 5.53 0.00 2.61 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 0.00 147 Y 8.18 5.25 0.00 3.22 3.14 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 0.00 148 F 8.61 4.98 0.00 3.15 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 0.00 149 P 0.00 4.31 0.00 1.86 0.87 0.00 3.64 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 150 E 8.40 4.83 0.00 1.64 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 2.14 1.56 0.00 151 P 0.00 4.96 0.00 2.03 1.80 0.00 3.76 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 1.83 1.88 0.00 152 V 7.63 4.41 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 0.65 0.00 0.00 0.90 0.00 0.00 153 T 8.09 3.81 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 1.09 0.00 0.00 *173 T 8.17 4.23 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 1.24 0.00 0.00 174 F 8.87 4.26 0.00 3.03 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 0.00 175 P 0.00 4.31 0.00 2.12 2.07 0.00 3.79 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 2.10 2.14 0.00 176 A 8.60 4.52 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 0.00 177 V 9.90 4.31 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 0.76 0.00 0.00 0.96 0.00 0.00 178 L 8.28 4.73 0.00 1.56 1.55 0.21 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 179 Q 8.65 4.38 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 180 S 8.52 4.06 0.00 3.84 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 *182 S 8.01 4.06 0.00 3.92 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 0.00 183 G 7.76 3.60 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 0.00 0.00 0.00 184 L 6.95 4.59 0.00 1.66 1.53 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 185 Y 8.82 4.81 0.00 1.43 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 0.00 0.00 0.00 186 S 8.68 5.43 0.00 3.91 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 0.00 187 L 8.98 4.78 0.00 2.04 1.94 0.99 0.55 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 0.00 188 S 8.73 4.46 0.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.