NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2285 8.3144 121.7893 55.6823 32.2778 174.8720 2 E 3.8669 8.5402 127.5836 54.1373 30.2953 175.9378 3 S 4.3922 8.8894 122.7371 57.8947 66.3491 174.6317 4 A 3.9804 8.5998 125.0436 55.3682 18.1493 179.9625 5 A 3.9459 8.0368 118.3903 55.5039 18.5538 179.6332 6 A 4.0442 8.0153 119.0841 55.1147 18.3937 179.7778 7 K 4.0799 8.3632 118.6777 59.4957 32.1781 178.8691 8 F 4.1474 8.3784 121.1251 61.2719 39.3296 177.0192 9 E 3.9938 8.3232 118.2576 59.4771 29.0904 179.2747 10 R 3.8500 7.9160 117.4746 59.4543 30.2136 178.0571 11 Q 4.1023 7.8567 116.2168 57.4297 29.0539 176.1708 12 H 4.6916 8.0700 113.4084 54.8666 30.7988 172.8573 13 M 4.6014 7.6996 119.9388 53.7221 33.9556 176.6111 14 D 4.7692 8.2345 121.9492 52.7920 42.0714 174.3484 15 S 4.1288 8.2809 118.3549 61.4249 63.4737 175.1044 16 G 3.5501 8.2038 108.7849 45.7332 0.0000 171.8377 17 N 4.0136 8.2660 124.6191 52.1744 36.5439 175.5259 18 S 4.4086 8.3247 121.2242 56.2632 61.0436 174.1138 19 A 4.5644 7.4801 121.0100 51.7647 21.0478 178.7861 20 S 4.7286 8.1880 117.5244 62.1578 63.3745 175.8883 21 S 4.2276 8.1301 115.3629 60.2100 61.9004 174.8851 22 S 4.7218 7.6727 112.9375 57.8802 62.8438 174.8622 23 S 4.2091 8.1555 115.9564 60.2510 63.2277 174.1109 24 N 5.1996 7.8074 120.8254 52.9279 39.9411 176.3260 25 Y 4.1761 8.3888 120.1940 60.9891 39.1430 176.7583 26 C 4.0313 8.2012 117.0842 59.8324 40.0051 175.8392 27 N 4.3481 8.0205 116.7846 56.4260 38.2984 176.9600 28 Q 4.0273 7.2017 116.3949 59.2061 28.9238 178.4345 29 M 3.8787 7.4282 118.3580 58.0473 33.5606 178.0463 30 M 4.2191 8.0990 120.3075 55.5912 27.7729 177.2661 *33 R 3.9738 7.3728 113.9530 54.9639 32.7075 176.3899 34 K 3.8433 8.0680 114.5068 58.6525 29.5471 175.3953 35 M 4.7699 8.2430 114.3065 55.3492 32.9773 177.3038 36 T 4.7318 7.7056 106.7473 60.2442 69.5599 173.3026 37 Q 4.5001 8.4667 121.5481 57.2812 29.6232 173.9685 38 G 4.3412 11.2566 114.6960 45.0535 0.0000 172.8396 39 K 4.0786 7.3299 116.3972 55.3390 35.0768 175.4005 40 C 4.8668 8.6902 118.1619 55.3652 40.0931 173.7243 41 K 4.0080 8.6378 127.6506 56.0999 32.2385 174.3178 42 P 4.4788 0.0000 0.0000 65.6018 31.7815 176.2875 43 V 4.9967 7.4799 117.8260 60.7740 34.8037 173.9243 44 N 4.6243 8.7022 122.5878 52.9832 42.7575 173.0732 45 T 4.9805 7.9097 120.9733 61.5912 71.8257 173.2575 46 F 4.7453 8.6144 123.3364 55.6318 42.1437 174.4826 47 V 4.1531 8.5440 124.1835 61.7076 31.8475 176.5414 48 H 4.9600 8.8982 131.4852 54.5558 26.1001 174.0124 49 E 4.7859 7.6791 117.3953 53.2576 34.5338 176.5849 50 S 4.2989 8.4292 115.1245 58.6000 64.8514 174.7160 51 L 3.9088 8.5450 124.8662 58.2030 41.7906 178.8510 52 A 3.9828 7.9854 119.7253 55.6490 18.5650 178.7514 53 D 4.4234 8.1257 116.3773 57.5896 40.9032 178.8247 54 V 3.6009 7.9161 118.3036 66.4258 31.6224 178.0571 55 K 3.7031 8.5896 117.9813 59.8106 31.7889 178.9379 56 A 4.0135 8.0816 120.5989 54.6992 18.2575 179.6500 57 V 3.4791 8.4163 117.3582 66.0558 31.2544 177.3395 58 C 4.1695 7.7606 115.1335 58.7784 39.9270 174.3888 59 S 4.2751 7.8475 114.5621 57.9343 64.2188 175.2405 60 Q 4.4622 7.3940 125.9385 55.6475 28.3216 175.7700 61 K 4.2276 8.6352 124.4995 57.6362 33.4956 176.7025 62 K 4.4338 8.5484 127.0056 56.0817 33.5497 175.5428 63 V 4.5106 7.7546 117.4953 60.5836 36.6016 173.7522 64 T 4.4052 8.1721 112.2260 60.2976 69.2993 175.5527 65 C 4.3555 8.2227 124.3382 56.8298 40.9953 174.1674 66 K 3.9081 10.7258 123.0538 60.1677 31.4862 177.3197 67 D 4.3371 7.6000 118.5252 53.3330 39.5479 175.7562 68 G 4.0512 7.6335 108.9157 44.6100 0.0000 173.3996 69 Q 4.1366 7.5442 119.1216 56.2077 29.2471 177.7470 70 T 4.1836 8.2758 110.5984 63.8447 70.6065 176.7547 71 N 4.6794 7.5304 120.5107 50.0633 36.9454 175.5243 72 C 4.3624 8.9634 119.0809 56.5850 38.4688 170.9551 73 Y 5.1914 9.0168 118.3855 56.4447 42.5458 173.8086 74 Q 5.1421 8.8702 123.4609 53.9183 31.0810 175.4370 75 S 4.5106 8.4789 121.4308 59.0248 62.8983 175.0164 76 K 4.2286 10.3948 122.1718 58.4688 33.1150 177.2948 77 S 4.8229 7.6909 114.2151 56.3025 65.4560 173.6180 78 T 4.2149 8.0028 113.3911 62.1499 69.9341 172.8360 79 M 5.0196 8.7948 120.6260 53.7155 37.4132 174.6051 80 R 4.8515 10.1534 121.3150 55.9018 31.4493 176.1410 81 I 4.9813 8.8995 116.9147 59.6612 42.1392 174.0310 82 T 5.0943 8.8614 118.5917 61.8253 72.2424 172.5921 83 D 5.1873 10.0596 126.1095 52.9135 43.4877 174.1619 84 C 5.8288 8.9557 123.1469 54.5159 44.4873 173.2252 85 R 5.2448 8.6192 121.8753 53.9176 33.9619 174.3094 86 E 3.7362 8.5535 125.4637 56.7539 30.2001 176.9778 87 T 4.2229 9.1021 118.4155 60.8625 70.4782 175.7238 88 G 3.6966 8.6115 109.7284 48.3609 0.0000 175.1627 89 S 4.2523 7.5834 114.9163 59.9709 63.2453 174.6344 90 S 4.1262 7.2185 114.1977 58.4814 62.4272 173.7111 91 K 4.3198 8.8498 128.9921 55.1887 33.9960 174.1570 92 Y 4.2233 8.8401 127.6059 57.9372 38.9954 174.4863 93 P 3.1690 0.0000 0.0000 62.5946 31.8546 176.8184 94 N 4.7383 8.1210 119.3616 52.0449 37.3668 172.8203 95 C 4.6049 8.0352 117.3376 56.7072 39.8586 173.3191 96 A 4.8444 9.1673 125.4178 50.6324 21.6665 174.6481 97 Y 5.1195 9.9186 120.4013 56.1465 41.4109 175.0840 98 K 4.6732 8.9309 122.4802 55.1650 34.7855 174.8475 99 T 4.9644 8.5914 123.5994 62.4987 69.9238 174.1655 100 T 4.5909 9.0350 122.8065 61.9132 71.9905 172.9885 101 Q 4.6447 8.7668 125.9929 55.3085 30.1510 175.6766 102 V 4.5791 8.5303 115.5992 60.2912 37.2255 172.8231 103 E 5.6462 8.4876 121.6747 53.5297 32.3015 174.5397 104 K 4.2836 8.0705 123.8590 56.8780 35.7877 173.1715 105 H 4.9220 8.1699 116.2430 55.4573 30.1847 175.0942 106 I 4.9369 8.4641 114.6662 59.2102 41.1783 174.3774 107 I 4.8445 8.0377 123.4010 59.7867 40.0657 175.2866 108 V 4.8881 8.9378 119.7903 59.3148 36.0221 174.2330 109 A 5.0131 8.8583 123.1504 50.6083 21.2969 175.3940 110 C 5.3137 8.8516 119.3799 55.8393 40.5312 172.5503 111 G 3.8751 8.9301 106.0592 46.3582 0.0000 173.6463 112 G 4.2095 8.7706 108.4495 45.7309 0.0000 172.3032 113 K 4.6386 8.1579 115.9458 53.7363 35.5555 174.9897 114 P 4.4857 0.0000 0.0000 62.2057 32.0858 176.0483 115 S 5.1878 8.2886 115.5366 58.6798 63.2032 174.3368 116 V 4.5937 8.2365 116.4262 58.5679 36.2267 173.0948 117 P 4.7608 0.0000 0.0000 63.5545 31.4041 176.5276 118 V 4.5150 8.9977 115.6718 60.9750 33.6989 175.1129 119 H 4.6809 7.9361 118.2002 55.2148 33.2341 171.8546 120 F 4.6064 8.7256 127.9765 57.2794 39.8055 174.3946 121 D 4.4305 8.2792 126.6232 55.6675 41.8577 175.6673 122 A 4.4962 6.5782 116.8603 53.3869 24.0847 174.6264 123 S 4.8473 7.8986 108.1674 57.6748 65.7238 175.1752 124 V 3.9467 8.2965 119.5750 62.7571 31.8133 171.3921 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 K 8.31 4.23 0.00 1.74 1.85 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.38 7.81 2 E 8.54 3.87 0.00 2.06 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 2.31 2.38 0.00 3 S 8.89 4.39 0.00 4.10 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 4 A 8.60 3.98 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 5 A 8.04 3.95 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 6 A 8.02 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.36 4.08 0.00 2.00 2.10 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.60 7.81 8 F 8.38 4.15 0.00 3.16 3.35 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 9 E 8.32 3.99 0.00 2.28 2.03 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 2.53 2.68 0.00 10 R 7.92 3.85 0.00 1.79 2.08 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 11 Q 7.86 4.10 0.00 1.91 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 12 H 8.07 4.69 0.00 2.06 2.85 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.70 4.60 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 14 D 8.23 4.77 0.00 2.55 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 15 S 8.28 4.13 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 16 G 8.20 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.27 4.01 0.00 2.86 2.90 0.00 0.00 6.23 7.64 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 18 S 8.32 4.41 0.00 3.84 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 19 A 7.48 4.56 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 20 S 8.19 4.73 0.00 4.05 4.01 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 21 S 8.13 4.23 0.00 3.88 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 22 S 7.67 4.72 0.00 3.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.16 4.21 0.00 4.14 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 24 N 7.81 5.20 0.00 2.68 2.80 0.00 0.00 6.52 7.36 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 25 Y 8.39 4.18 0.00 3.02 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 26 C 8.20 4.03 0.00 3.14 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.02 4.35 0.00 2.84 2.90 0.00 0.00 6.92 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.20 4.03 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 29 M 7.43 3.88 0.00 1.09 1.41 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.36 0.00 30 M 8.10 4.22 0.00 1.45 1.49 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.03 0.00 *33 R 7.37 3.97 0.00 1.99 2.05 0.00 3.56 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 34 K 8.07 3.84 0.00 1.88 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.44 7.81 35 M 8.24 4.77 0.00 2.06 2.12 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 2.67 2.43 0.00 36 T 7.71 4.73 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 1.30 0.00 0.00 37 Q 8.47 4.50 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 38 G 11.26 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 0.00 0.00 0.00 0.00 39 K 7.33 4.08 0.00 1.76 1.65 0.00 1.43 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.38 7.81 40 C 8.69 4.87 0.00 3.29 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 41 K 8.64 4.01 0.00 1.79 1.85 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.24 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.43 7.81 42 P 0.00 4.48 0.00 2.16 2.31 0.00 3.72 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 2.10 2.00 0.00 43 V 7.48 5.00 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 0.82 0.00 0.00 0.96 0.00 0.00 44 N 8.70 4.62 0.00 2.75 2.39 0.00 0.00 6.91 7.24 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 45 T 7.91 4.98 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 0.98 0.00 0.00 46 F 8.61 4.75 0.00 3.06 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.54 4.15 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 0.85 0.00 0.00 1.01 0.00 0.00 48 H 8.90 4.96 0.00 3.15 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.68 4.79 0.00 1.92 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 0.00 2.24 2.26 0.00 50 S 8.43 4.30 0.00 4.05 4.01 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 51 L 8.54 3.91 0.00 1.80 1.70 0.95 1.02 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 52 A 7.99 3.98 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 53 D 8.13 4.42 0.00 2.84 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 54 V 7.92 3.60 2.25 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 1.09 0.00 0.00 0.98 0.00 0.00 55 K 8.59 3.70 0.00 1.97 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 56 A 8.08 4.01 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 57 V 8.42 3.48 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 1.11 0.00 0.00 0.99 0.00 0.00 58 C 7.76 4.17 0.00 3.24 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 59 S 7.85 4.28 0.00 3.65 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.39 4.46 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 61 K 8.64 4.23 0.00 1.92 1.87 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.52 7.81 62 K 8.55 4.43 0.00 1.70 1.62 0.00 1.33 0.00 0.00 1.37 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.28 7.81 63 V 7.75 4.51 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 0.63 0.00 0.00 0.90 0.00 0.00 64 T 8.17 4.41 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 1.23 0.00 0.00 65 C 8.22 4.36 0.00 2.97 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 66 K 10.73 3.91 0.00 1.85 1.97 0.00 1.62 0.00 0.00 1.85 0.00 0.00 3.36 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.43 7.81 67 D 7.60 4.34 0.00 2.79 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 68 G 7.63 4.05 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 0.00 0.00 0.00 69 Q 7.54 4.14 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 70 T 8.28 4.18 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 1.17 0.00 0.00 71 N 7.53 4.68 0.00 2.81 2.16 0.00 0.00 6.05 7.68 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 72 C 8.96 4.36 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.02 5.19 0.00 2.86 2.90 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 74 Q 8.87 5.14 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 75 S 8.48 4.51 0.00 4.04 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 10.39 4.23 0.00 1.74 2.01 0.00 1.47 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 77 S 7.69 4.82 0.00 3.85 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 78 T 8.00 4.21 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 1.00 0.00 0.00 79 M 8.79 5.02 0.00 2.04 1.96 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 2.67 2.52 0.00 80 R 10.15 4.85 0.00 1.84 1.90 0.00 3.08 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 81 I 8.90 4.98 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.81 1.01 0.00 0.00 82 T 8.86 5.09 4.53 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 1.48 0.00 0.00 83 D 10.06 5.19 0.00 2.84 2.58 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 84 C 8.96 5.83 0.00 3.07 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.62 5.24 0.00 1.77 1.79 0.00 3.18 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 86 E 8.55 3.74 0.00 1.60 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.95 0.00 87 T 9.10 4.22 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 1.20 0.00 0.00 88 G 8.61 3.70 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 0.00 0.00 0.00 89 S 7.58 4.25 0.00 3.84 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.22 4.13 0.00 3.91 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 91 K 8.85 4.32 0.00 1.82 1.61 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.42 7.81 92 Y 8.84 4.22 0.00 3.12 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 93 P 0.00 3.17 0.00 1.76 1.30 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 94 N 8.12 4.74 0.00 2.85 2.75 0.00 0.00 7.04 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 95 C 8.04 4.60 0.00 3.16 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 96 A 9.17 4.84 1.16 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 0.00 0.00 97 Y 9.92 5.12 0.00 2.87 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 98 K 8.93 4.67 0.00 1.86 1.70 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 99 T 8.59 4.96 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 1.35 0.00 0.00 100 T 9.04 4.59 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 1.24 0.00 0.00 101 Q 8.77 4.64 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 102 V 8.53 4.58 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 0.66 0.00 0.00 0.96 0.00 0.00 103 E 8.49 5.65 0.00 1.92 1.77 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 2.17 2.22 0.00 104 K 8.07 4.28 0.00 1.76 1.90 0.00 1.63 0.00 0.00 1.95 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.37 7.81 105 H 8.17 4.92 0.00 3.36 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.46 4.94 1.92 0.00 0.00 1.00 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 0.75 1.06 0.00 0.00 107 I 8.04 4.84 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 0.82 0.00 0.00 108 V 8.94 4.89 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 0.79 0.00 0.00 1.01 0.00 0.00 109 A 8.86 5.01 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 0.00 110 C 8.85 5.31 0.00 3.07 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.93 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 0.00 0.00 0.00 112 G 8.77 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.16 4.64 0.00 1.67 1.67 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.47 7.81 114 P 0.00 4.49 0.00 2.16 2.05 0.00 3.77 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 1.98 1.98 0.00 115 S 8.29 5.19 0.00 3.71 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 0.00 116 V 8.24 4.59 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 1.06 0.00 0.00 0.95 0.00 0.00 117 P 0.00 4.76 0.00 1.99 2.07 0.00 3.64 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 2.07 2.16 0.00 118 V 9.00 4.52 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 0.73 0.00 0.00 1.01 0.00 0.00 119 H 7.94 4.68 0.00 3.23 3.12 0.00 5.85 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 0.00 120 F 8.73 4.61 0.00 3.02 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 0.00 121 D 8.28 4.43 0.00 2.55 2.52 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 0.00 122 A 6.58 4.50 1.17 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 0.00 0.00 123 S 7.90 4.85 0.00 4.14 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 0.00 124 V 8.30 3.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.