NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3371 8.3144 120.1385 56.7085 33.5979 174.6308 5 T 4.4770 7.8759 114.6079 58.9445 70.3587 171.9183 6 C 4.9228 9.4000 119.6910 57.6453 36.9307 172.6018 7 D 5.0994 9.1610 123.3122 52.7262 42.7607 176.0616 8 L 5.1123 8.3403 122.7579 52.1426 44.1334 176.8107 9 V 3.6540 8.2003 113.8637 62.6913 32.0269 176.1747 10 G 3.9578 8.6791 108.9927 44.3689 0.0000 173.2740 11 E 4.1481 8.5012 117.9462 55.3132 30.1402 176.8463 12 K 4.2038 7.8900 122.2174 57.6420 32.4457 177.2521 13 G 4.0232 9.2097 113.8832 45.7084 0.0000 173.6650 14 K 4.5846 8.0320 117.0110 55.8807 33.0191 176.2148 15 E 4.2898 7.9750 119.4825 55.2485 30.5058 176.0042 16 S 4.3583 8.5335 114.0513 59.0932 63.4904 174.8865 17 E 4.0033 8.8688 128.3412 59.2323 29.1691 179.6088 18 K 3.9916 7.9683 118.2906 59.5376 32.2507 179.0702 19 E 4.0426 8.1160 118.4657 59.4275 29.3904 179.3704 20 L 4.0512 8.2343 118.9418 57.7926 41.6551 179.4755 21 A 4.0375 8.1365 120.7287 55.1354 18.3512 179.7395 22 L 4.0004 7.8499 117.4369 57.8296 41.4550 179.6739 23 L 4.1618 7.8708 118.3204 57.6364 41.9070 179.1082 24 K 4.1318 8.1031 121.0597 58.9647 31.9170 178.8891 25 R 3.9067 7.7775 118.0778 58.9232 30.2653 177.5326 26 L 4.3648 7.7763 116.5594 55.0303 41.6196 178.3144 27 T 2.0000 7.1850 117.7076 65.6550 68.1602 173.9822 28 P 4.3270 0.0000 0.0000 64.6791 31.5744 177.2347 29 L 4.5083 8.0104 118.6716 55.4293 41.9439 178.1633 30 F 4.6666 8.1613 119.6896 59.9165 39.0279 176.6325 31 Q 4.0642 8.0554 113.5959 57.7351 28.8254 176.2297 32 K 4.1272 7.5237 118.5284 55.5602 33.2247 175.6686 33 S 4.3272 7.4235 113.6141 56.4846 65.5334 172.8850 34 F 5.0228 8.6804 124.3553 55.6308 42.3020 173.7233 35 E 5.5345 8.9563 122.8601 54.2212 32.6494 175.2801 36 S 4.9648 9.4468 121.1050 59.1072 64.1290 173.8435 37 T 4.8097 9.1168 112.1435 60.3346 70.8421 173.9301 38 V 3.6122 8.5209 119.7928 62.4652 30.5305 171.4530 39 G 4.4034 7.9878 108.6068 46.4554 0.0000 174.0845 *43 D 4.6661 7.2616 114.9975 52.9248 42.0940 174.6358 44 M 3.4867 9.3898 128.3002 55.7487 31.2183 174.9389 45 Y 5.3472 7.3715 112.5928 56.0955 41.7312 175.1035 46 S 5.0068 8.9161 115.9417 56.8055 66.4053 172.2684 47 Y 5.3610 9.2608 121.4415 56.2479 41.9587 174.6119 48 V 5.0388 8.9325 122.6276 61.1165 34.8793 173.9648 49 F 5.4668 9.3222 129.5490 56.5936 42.5207 173.6960 50 R 4.4640 8.5172 123.0556 54.2663 34.4668 175.1505 51 V 3.8976 7.9760 121.3341 62.4569 31.5230 176.3881 52 C 3.5775 9.0513 124.7162 57.3325 38.1478 173.1615 53 R 3.9358 6.6496 115.5063 53.6277 33.7029 174.6086 54 E 4.2435 8.6084 120.8541 57.0024 29.7205 176.5509 55 A 4.3671 9.0317 129.3193 52.2403 20.1423 176.6194 56 G 4.0432 8.0904 104.7475 44.5629 0.0000 173.6685 57 Q 4.5665 9.2114 115.8000 55.9304 28.9623 176.1337 58 H 4.8398 7.9040 112.7249 54.9173 29.7747 173.5919 59 S 3.8408 8.0816 112.9183 59.9133 60.1629 173.1703 60 S 4.3583 8.2159 113.6970 58.3792 63.0241 175.2984 61 G 3.5088 8.8504 109.4479 45.8166 0.0000 173.2774 62 A 4.2544 8.0075 122.4561 51.7875 19.2443 179.1938 63 G 3.7151 8.9980 108.9658 46.9590 0.0000 173.4832 64 L 5.3232 7.7177 122.1155 54.0474 45.7358 174.8058 65 V 4.9688 9.0921 118.9485 59.5417 36.1968 174.0924 66 Q 4.6898 9.0205 124.1296 54.3291 31.5605 174.1076 67 I 4.9685 8.6069 127.7044 59.4423 40.0319 174.5687 68 Q 4.5355 9.1000 129.8138 55.6953 29.3434 176.6134 69 K 4.0727 8.8777 127.6435 59.6874 32.0437 179.0028 70 S 4.2461 8.2018 113.6116 60.3995 62.9920 174.2807 71 N 4.8235 7.8111 114.9372 51.4497 38.1332 175.4491 72 G 3.9963 8.3934 106.5186 45.6617 0.0000 173.8047 73 K 3.9716 7.5193 122.3439 56.6121 33.1750 175.0329 74 E 4.9484 8.8248 128.7408 55.0280 31.1254 174.6920 75 T 4.5733 8.9075 124.4965 61.6477 71.4058 173.8875 76 V 4.0203 8.8738 127.1042 62.7030 31.8233 176.7099 77 V 3.5711 8.8988 129.2544 65.4746 32.8326 175.9179 78 G 4.3373 7.8461 104.5834 45.2595 0.0000 172.2557 79 R 5.0944 9.0949 121.7082 53.0226 32.6857 177.2995 80 F 4.0911 7.9835 117.0558 58.0088 38.2294 176.0251 81 N 5.0100 7.2856 117.3201 53.1689 38.1516 174.9734 82 E 4.8039 8.0400 117.8934 55.3037 29.2018 174.4570 83 T 5.3188 8.7776 118.3719 62.1791 71.7649 175.0404 84 Q 4.9157 9.0841 125.4325 54.5966 32.8823 173.7362 85 I 5.2693 9.1875 125.5325 59.8472 41.5060 173.6394 86 F 5.2371 8.8472 123.2941 55.7164 41.7352 172.8440 87 Q 4.2373 8.6532 116.4953 54.4781 31.7812 174.8223 88 G 3.2437 6.2091 108.5497 43.7147 0.0000 171.9155 89 S 4.1351 8.5886 114.2606 61.5020 63.2633 176.2126 90 N 5.3382 8.0605 116.6504 50.5074 37.8871 172.8573 91 W 5.6066 7.3748 113.9440 56.8569 32.1692 173.1105 92 I 4.8532 9.0952 120.9774 59.8609 41.1572 173.8775 93 M 4.9295 9.0169 126.8225 53.5751 34.5537 174.0609 94 L 5.1952 8.7634 127.9259 53.2580 45.4443 174.9457 95 I 5.0675 8.9009 126.2846 59.7158 41.1891 173.7950 96 Y 5.4336 9.0501 124.4158 56.6948 40.6135 175.6427 97 K 4.4389 9.0744 125.7682 55.1836 35.6058 177.4648 98 G 3.9063 8.8575 108.7819 47.0863 0.0000 174.1376 99 G 4.0630 7.8967 107.5244 44.2463 0.0000 173.8946 100 D 4.6621 8.7722 119.7187 54.2837 41.8152 176.6900 101 E 4.7384 8.5994 121.2944 56.5604 30.3784 176.5187 102 Y 4.3777 8.8697 120.6499 58.3550 38.8808 176.1454 103 D 4.8350 9.0255 119.8254 55.1121 42.8733 177.2937 104 N 5.0557 8.2596 112.2680 52.8600 40.9301 173.0952 105 H 4.7810 7.6572 114.8753 54.5821 33.1237 173.1529 106 C 4.6490 8.7649 113.8392 57.1429 37.6083 174.2764 107 G 3.7046 8.8744 102.3035 46.4195 0.0000 174.3356 108 R 4.3742 8.4435 114.5384 55.9363 28.3451 176.5453 109 E 4.4760 8.0278 115.9513 55.8377 31.4097 175.7678 110 Q 4.5707 8.5595 119.1275 55.7531 29.6106 176.8262 111 R 4.4267 8.6236 121.9201 56.6637 31.7185 175.5539 112 R 5.2817 8.8209 119.3062 54.9394 34.1898 173.1534 113 A 5.5243 9.3928 127.1182 50.2349 21.9722 175.2796 114 V 4.6576 9.3852 122.8889 61.0297 34.4554 174.3466 115 V 4.7232 8.9795 128.4438 61.3074 34.1828 173.7612 116 M 4.5423 9.0208 129.1965 54.4366 33.6098 174.6746 117 I 4.8632 8.9619 128.7589 60.1351 39.0399 175.2407 118 S 5.0794 8.9240 124.1601 56.7343 65.3422 173.1551 119 C 4.8090 8.5109 123.6248 57.0479 40.1672 173.0699 120 N 4.7648 8.5585 124.7046 52.7520 40.3287 174.9723 121 R 3.9672 8.7516 126.4123 58.8240 30.3440 177.5936 122 H 4.7231 8.2515 113.4864 56.4505 29.3959 174.9861 123 T 4.7029 7.5709 114.1271 60.3163 70.4489 174.2469 124 L 3.9575 8.9900 128.2127 56.5695 42.5358 177.1557 125 A 5.1466 7.6876 118.6538 52.0688 22.7162 175.0387 126 D 4.5197 8.1825 120.9116 54.2324 41.7113 175.2467 127 N 4.4572 9.0564 113.6552 54.4348 35.8277 174.2809 128 F 4.7013 8.4750 120.0852 58.5501 40.2563 173.9411 129 N 4.4755 7.9956 121.0120 51.4311 43.4996 172.2387 130 P 4.1928 0.0000 0.0000 63.1777 31.9738 175.7895 131 V 4.0440 8.0874 122.3977 63.6761 32.5535 175.5821 132 S 4.4073 6.7503 112.0177 57.8185 65.7902 173.6785 133 E 4.3910 8.4589 120.7263 54.1104 31.8424 174.4464 134 E 4.1644 8.5047 129.1964 54.3041 30.5494 175.6384 135 R 4.0779 8.1872 122.2177 55.6723 30.2242 175.8954 136 G 3.9034 8.5663 105.3601 45.6231 0.0000 174.0714 137 K 4.5521 7.3673 119.2028 54.3438 34.3397 177.6736 138 V 3.7600 8.1788 113.2577 63.5533 31.8059 176.0748 139 Q 4.5670 7.9359 115.1251 56.1966 30.5933 172.4754 140 D 4.4387 8.9101 114.9297 55.7884 37.9579 174.7362 141 C 4.9339 8.8951 116.3209 56.5367 38.8142 173.5664 142 F 5.0805 8.0009 112.9961 57.0740 41.2665 172.2373 143 Y 4.6315 9.0191 118.3337 56.2931 40.0944 174.4662 144 L 5.2400 8.4378 126.5770 53.4377 44.6397 175.1179 145 F 5.1357 9.2631 123.4375 55.8607 43.9575 173.4007 146 E 5.2259 8.8358 118.6301 55.3773 33.9045 174.4989 147 M 5.2307 8.8392 120.2805 54.8687 36.5770 172.9000 148 D 5.5403 8.8460 122.6745 52.9685 44.4037 175.4833 149 S 5.1472 8.6914 113.8453 57.5666 66.1879 176.3815 150 S 4.3512 9.0929 121.8506 60.7619 63.0468 176.1364 151 L 4.1311 7.7259 120.0252 56.6542 41.5340 177.5105 152 A 4.2991 7.8453 120.9932 52.7888 19.2105 176.7960 153 C 4.6789 7.5995 113.1419 56.6454 41.1027 174.0735 154 S 4.2013 8.1879 116.0339 58.9734 63.4830 174.3044 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 4 K 8.31 4.34 0.00 1.91 1.98 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.47 7.81 5 T 7.88 4.48 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 1.24 0.00 0.00 6 C 9.40 4.92 0.00 2.95 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 7 D 9.16 5.10 0.00 2.71 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 8 L 8.34 5.11 0.00 1.57 1.81 0.98 1.23 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 9 V 8.20 3.65 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 0.72 0.00 0.00 0.96 0.00 0.00 10 G 8.68 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 11 E 8.50 4.15 0.00 2.02 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 2.41 2.25 0.00 12 K 7.89 4.20 0.00 1.72 1.75 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.43 7.81 13 G 9.21 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 0.00 0.00 0.00 14 K 8.03 4.58 0.00 1.85 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.37 7.81 15 E 7.98 4.29 0.00 2.11 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 0.00 2.43 2.38 0.00 16 S 8.53 4.36 0.00 3.90 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 17 E 8.87 4.00 0.00 2.06 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 2.41 2.41 0.00 18 K 7.97 3.99 0.00 1.82 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.54 7.81 19 E 8.12 4.04 0.00 2.24 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 2.64 2.41 0.00 20 L 8.23 4.05 0.00 1.85 1.75 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.14 4.04 1.39 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 0.00 0.00 22 L 7.85 4.00 0.00 1.86 1.75 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.87 4.16 0.00 1.90 1.93 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.10 4.13 0.00 1.94 1.99 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.28 7.81 25 R 7.78 3.91 0.00 1.84 2.10 0.00 3.28 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 26 L 7.78 4.36 0.00 1.91 1.79 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.18 2.00 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 0.78 0.00 0.00 28 P 0.00 4.33 0.00 2.17 2.10 0.00 3.60 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 29 L 8.01 4.51 0.00 1.93 1.96 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.16 4.67 0.00 2.91 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 31 Q 8.06 4.06 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 32 K 7.52 4.13 0.00 1.56 1.05 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.31 7.81 33 S 7.42 4.33 0.00 3.60 3.44 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 34 F 8.68 5.02 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.96 5.53 0.00 2.01 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 2.33 2.57 0.00 36 S 9.45 4.96 0.00 4.23 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 0.00 37 T 9.12 4.81 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 38 V 8.52 3.61 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.97 0.00 0.00 39 G 7.99 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 0.00 0.00 0.00 0.00 *43 D 7.26 4.67 0.00 2.70 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 M 9.39 3.49 0.00 1.80 2.17 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 2.09 1.31 0.00 45 Y 7.37 5.35 0.00 2.86 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.92 5.01 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 47 Y 9.26 5.36 0.00 3.35 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 48 V 8.93 5.04 2.13 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 1.01 0.00 0.00 0.99 0.00 0.00 49 F 9.32 5.47 0.00 2.53 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 50 R 8.52 4.46 0.00 1.60 1.47 0.00 3.06 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.39 0.00 51 V 7.98 3.90 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 1.23 0.00 0.00 0.86 0.00 0.00 52 C 9.05 3.58 0.00 1.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.65 3.94 0.00 1.40 1.49 0.00 3.18 0.00 0.00 2.77 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.51 0.00 54 E 8.61 4.24 0.00 2.02 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 2.30 2.50 0.00 55 A 9.03 4.37 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 56 G 8.09 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 57 Q 9.21 4.57 0.00 1.81 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.21 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 58 H 7.90 4.84 0.00 3.09 3.23 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.08 3.84 0.00 3.97 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 60 S 8.22 4.36 0.00 3.82 3.85 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 61 G 8.85 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 0.00 0.00 0.00 0.00 62 A 8.01 4.25 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 63 G 9.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 5.32 0.00 2.03 1.60 0.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 65 V 9.09 4.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.01 0.00 0.00 66 Q 9.02 4.69 0.00 1.91 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 1.85 1.35 0.00 67 I 8.61 4.97 1.87 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 1.12 0.54 0.93 0.00 0.00 68 Q 9.10 4.54 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.15 0.00 69 K 8.88 4.07 0.00 1.62 1.84 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.54 7.81 70 S 8.20 4.25 0.00 3.95 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 71 N 7.81 4.82 0.00 2.87 3.01 0.00 0.00 6.23 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 G 8.39 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.52 3.97 0.00 1.70 1.76 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.40 7.81 74 E 8.82 4.95 0.00 2.06 1.87 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 2.22 2.33 0.00 75 T 8.91 4.57 4.14 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 1.11 0.00 0.00 76 V 8.87 4.02 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 0.96 0.00 0.00 0.89 0.00 0.00 77 V 8.90 3.57 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 0.69 0.00 0.00 0.63 0.00 0.00 78 G 7.85 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 79 R 9.09 5.09 0.00 1.63 1.64 0.00 3.16 0.00 0.00 3.14 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.38 0.00 80 F 7.98 4.09 0.00 3.03 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 7.29 5.01 0.00 2.86 2.64 0.00 0.00 6.16 7.66 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 82 E 8.04 4.80 0.00 2.10 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 2.23 2.24 0.00 83 T 8.78 5.32 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 1.39 0.00 0.00 84 Q 9.08 4.92 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 85 I 9.19 5.27 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 1.00 0.00 0.00 86 F 8.85 5.24 0.00 3.10 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 87 Q 8.65 4.24 0.00 1.73 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 88 G 6.21 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.59 4.14 0.00 3.93 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 90 N 8.06 5.34 0.00 2.76 3.00 0.00 0.00 6.26 8.88 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 91 W 7.37 5.61 0.00 3.48 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 92 I 9.10 4.85 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.54 0.92 0.00 0.00 93 M 9.02 4.93 0.00 0.76 1.63 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 94 L 8.76 5.20 0.00 1.70 1.32 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.90 5.07 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 1.02 0.00 0.00 96 Y 9.05 5.43 0.00 2.96 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 97 K 9.07 4.44 0.00 1.87 1.84 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.49 7.81 98 G 8.86 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 0.00 0.00 0.00 99 G 7.90 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 0.00 0.00 0.00 0.00 100 D 8.77 4.66 0.00 2.51 2.55 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 0.00 101 E 8.60 4.74 0.00 1.88 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 2.36 2.36 0.00 102 Y 8.87 4.38 0.00 3.04 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 0.00 103 D 9.03 4.84 0.00 2.72 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 0.00 104 N 8.26 5.06 0.00 2.67 2.69 0.00 0.00 6.67 8.16 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 0.00 105 H 7.66 4.78 0.00 2.57 2.86 0.00 5.96 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 8.76 4.65 0.00 2.81 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 0.00 107 G 8.87 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 0.00 108 R 8.44 4.37 0.00 2.01 2.09 0.00 3.20 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 109 E 8.03 4.48 0.00 2.18 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 0.00 2.69 2.55 0.00 110 Q 8.56 4.57 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.07 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 111 R 8.62 4.43 0.00 1.77 2.01 0.00 3.02 0.00 0.00 2.92 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.19 0.00 112 R 8.82 5.28 0.00 2.01 1.95 0.00 3.20 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.95 0.00 113 A 9.39 5.52 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 0.00 114 V 9.39 4.66 2.24 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 0.97 0.00 0.00 0.89 0.00 0.00 115 V 8.98 4.72 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 0.68 0.00 0.00 0.34 0.00 0.00 116 M 9.02 4.54 0.00 2.10 1.83 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 117 I 8.96 4.86 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.56 0.92 0.00 0.00 118 S 8.92 5.08 0.00 3.94 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 0.00 119 C 8.51 4.81 0.00 3.16 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 0.00 120 N 8.56 4.76 0.00 2.78 2.65 0.00 0.00 7.22 7.65 0.00 0.00 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 R 8.75 3.97 0.00 1.65 1.90 0.00 3.39 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 122 H 8.25 4.72 0.00 3.33 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.57 4.70 4.30 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 1.30 0.00 0.00 124 L 8.99 3.96 0.00 1.66 1.73 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.69 5.15 1.39 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 0.00 0.00 126 D 8.18 4.52 0.00 2.92 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 0.00 127 N 9.06 4.46 0.00 3.03 2.98 0.00 0.00 6.77 7.45 0.00 0.00 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 F 8.47 4.70 0.00 3.03 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 0.00 129 N 8.00 4.48 0.00 2.53 2.50 0.00 0.00 6.42 7.57 0.00 0.00 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 P 0.00 4.19 0.00 1.65 1.41 0.00 3.67 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.03 0.00 131 V 8.09 4.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.80 0.00 0.00 132 S 6.75 4.41 0.00 3.68 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 0.00 133 E 8.46 4.39 0.00 1.46 1.51 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 1.61 1.47 0.00 134 E 8.50 4.16 0.00 1.40 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 135 R 8.19 4.08 0.00 1.42 1.76 0.00 2.66 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.40 0.00 136 G 8.57 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 0.00 0.00 0.00 137 K 7.37 4.55 0.00 1.85 1.77 0.00 1.83 0.00 0.00 1.86 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.52 7.81 138 V 8.18 3.76 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 0.70 0.00 0.00 0.93 0.00 0.00 139 Q 7.94 4.57 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 140 D 8.91 4.44 0.00 2.91 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 0.00 141 C 8.90 4.93 0.00 3.03 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 F 8.00 5.08 0.00 3.18 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 0.00 143 Y 9.02 4.63 0.00 3.12 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 0.00 144 L 8.44 5.24 0.00 1.89 1.45 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.26 5.14 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.84 5.23 0.00 1.79 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 147 M 8.84 5.23 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.42 0.00 148 D 8.85 5.54 0.00 2.93 2.55 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 0.00 149 S 8.69 5.15 0.00 3.84 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 9.09 4.35 0.00 4.04 4.33 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 0.00 151 L 7.73 4.13 0.00 1.70 1.76 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.85 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 0.00 153 C 7.60 4.68 0.00 3.09 3.02 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 0.00 154 S 8.19 4.20 0.00 3.78 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.