NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 G 3.8043 8.3544 109.7258 44.9024 0.0000 171.9191 24 Q 4.9616 8.0704 128.6002 54.6143 31.2222 172.0368 25 R 3.8904 8.1249 125.4348 59.3239 31.1606 178.6965 26 W 4.2706 8.0649 115.6489 59.4853 28.1179 177.9803 27 E 2.7859 6.9630 119.1289 58.6497 28.9308 178.9965 28 L 3.9075 7.7659 118.9386 57.5317 41.7363 179.3626 29 A 4.0244 8.0609 120.8249 55.0260 18.2780 179.3350 30 L 4.1038 8.1620 119.1547 58.3929 42.0613 179.4933 31 G 3.6966 8.0555 105.6058 47.8539 0.0000 175.9442 32 R 4.0677 8.0206 120.1648 59.0230 29.9960 178.8824 33 F 4.1403 8.4272 120.5400 60.8747 39.3606 176.9031 34 W 4.4938 8.8390 128.2495 60.9003 30.5603 177.7068 35 D 4.3104 8.7192 119.1741 57.4061 40.3602 178.1373 36 Y 3.8508 8.1698 120.0683 60.6847 38.7734 177.9843 37 L 3.8967 8.0847 121.4476 57.9832 41.8712 178.8820 38 R 3.5555 7.5745 118.2267 58.6965 30.2313 178.0170 39 W 4.2036 8.0374 128.3102 60.5034 30.6862 177.9364 40 V 2.8686 7.7179 118.2290 65.9610 30.5852 177.4607 41 Q 3.7620 7.7919 118.5175 59.5143 28.7882 178.5716 42 T 3.7800 7.5426 109.6263 62.3182 69.1120 173.9954 43 L 3.2763 7.4486 120.7728 55.1694 39.9464 174.8671 44 S 4.3498 7.2310 112.6252 57.4633 65.6368 173.3461 45 E 3.8980 8.6185 120.3046 60.0604 29.0886 179.7739 46 Q 4.0664 8.0318 117.1866 58.8226 28.7420 178.8829 47 V 2.9956 7.2432 119.4119 65.9232 31.2442 178.0864 48 Q 3.9361 7.8499 116.6196 58.8763 28.7800 178.4139 49 E 4.1153 8.2349 119.4936 59.7469 29.2817 179.2522 50 E 4.0792 8.2214 118.3022 59.5858 29.2979 179.5121 51 L 4.1295 7.9785 118.0695 56.9106 41.7764 178.4147 52 L 4.4247 7.7460 117.2903 54.9070 42.2198 176.1664 53 S 4.7578 7.5564 113.7797 56.8329 65.5271 173.9740 54 S 4.6550 8.2962 112.5124 58.4338 63.3378 175.3970 55 Q 3.9954 7.8470 123.1579 59.7770 28.6223 178.8211 56 V 4.2485 8.0729 120.0288 65.9724 31.7898 178.0285 57 T 3.9447 7.9407 108.8162 64.6705 68.5911 176.2321 58 Q 4.0564 8.1850 121.2044 58.6231 28.8277 178.1149 59 E 3.8617 8.3867 119.9145 59.3142 29.4238 179.4070 60 L 3.7583 7.7927 119.0854 57.5521 41.6172 179.5112 61 R 3.9472 7.9673 118.5606 59.3363 30.0420 178.4434 62 A 4.0043 8.0044 120.5935 55.2787 18.4090 179.6823 63 L 4.0487 7.9575 117.5104 57.9298 41.6225 179.4479 64 M 3.9124 8.7406 118.7803 58.7220 32.1746 178.0406 65 D 4.3395 8.2841 119.0968 57.2680 40.9999 178.3185 66 E 3.9420 8.3317 119.7738 59.6763 29.6818 178.9708 67 T 3.9817 8.0580 115.6530 67.1438 68.5679 176.5985 68 M 4.1034 8.2917 120.5635 57.8094 31.9365 178.7280 69 K 3.9135 8.2620 120.0914 59.7290 32.4320 178.7165 70 E 4.0709 8.3497 118.7897 59.3004 29.3004 179.1835 71 L 3.8306 8.1324 120.3974 57.9986 42.1952 179.1650 72 K 3.8695 8.1513 118.2168 59.4602 32.0128 179.1989 73 A 4.0406 8.1487 121.0264 55.2161 18.2879 179.1132 74 Y 4.1958 8.2981 118.2111 60.7735 38.9132 178.1061 75 K 3.6968 8.2244 120.7785 59.2500 32.0368 178.5961 76 S 4.3091 7.5826 113.7139 61.0452 62.6265 175.8931 77 E 4.1162 8.2365 121.0396 59.2561 29.1992 179.3039 78 L 3.9749 7.8138 118.9922 57.4381 41.0627 179.1765 79 E 4.0379 8.0959 118.6514 58.9346 29.1166 178.1567 80 E 4.3135 7.8826 116.3481 57.1062 29.7828 177.1805 81 Q 4.2896 7.7855 119.3040 56.7758 30.9848 175.9904 *92 R 4.3839 7.7067 118.9281 56.1862 32.0488 177.1669 93 L 4.3775 7.7740 118.5101 57.3202 41.4802 179.3061 94 S 4.0551 8.0542 112.8254 61.0180 61.9417 175.7470 95 K 3.9982 7.9729 121.5444 58.7913 31.7592 178.3304 96 E 4.0892 8.0161 119.0552 58.5981 29.3743 178.7693 97 L 3.7989 7.6445 120.5822 58.1894 42.3580 178.5447 98 Q 3.7816 8.2469 119.6224 59.1365 28.8219 178.2007 99 A 4.1151 7.6880 120.1268 54.3581 18.6017 179.3426 100 A 3.9748 7.9000 119.3269 55.1226 18.4230 179.9446 101 Q 3.7978 8.2755 117.0027 58.9307 28.7603 178.5603 102 A 3.9660 7.7615 121.5344 55.0205 18.3280 179.7759 103 R 3.8417 8.0093 116.6029 59.3819 30.2060 178.9458 104 L 4.0165 7.6317 119.7827 58.0859 42.0831 179.2204 105 G 3.5420 7.9773 105.2373 47.8822 0.0000 175.5804 106 A 4.0736 8.1514 123.5431 54.7556 18.2112 179.5196 107 D 4.3358 8.3391 117.6993 57.7877 40.9655 178.8811 108 M 4.2488 8.1051 119.2061 58.5341 31.8638 178.7001 109 E 4.0669 8.3033 118.7429 59.5009 29.5920 179.0850 110 D 4.3704 8.5247 119.3507 57.2064 40.8274 179.0190 111 V 3.5633 7.7840 118.3036 66.3359 31.6463 177.8008 112 C 4.2512 8.0905 116.0555 62.9263 28.0026 176.3919 113 G 3.7780 8.4047 107.3980 47.9012 0.0000 175.7069 114 R 3.9868 7.9909 120.9162 59.0554 30.1590 178.6600 115 L 4.0479 7.9329 119.1203 57.5549 41.7347 179.4993 116 V 3.6057 8.3391 118.6683 66.0847 31.5048 177.6265 117 Q 3.9892 8.2102 119.2812 59.4909 28.7375 177.9395 118 Y 4.0231 8.0058 120.0987 60.7454 38.8885 177.8927 119 R 3.8662 8.1072 119.5290 59.5089 30.0687 178.7276 120 G 3.5672 7.9943 105.0962 47.8341 0.0000 175.6562 121 E 3.9247 8.0194 120.1213 58.8110 29.7690 179.3158 122 V 3.5248 7.5763 118.5010 66.0074 31.5418 177.8818 123 Q 3.9326 7.9402 117.4978 59.2004 28.3859 179.1080 124 A 3.9817 7.9110 120.1593 55.2947 18.6570 179.1340 125 M 4.0748 7.9071 115.9149 55.7216 32.2664 176.3025 126 L 3.3729 8.9135 118.5003 55.7641 39.7492 175.6108 127 G 3.9035 8.3052 105.1833 45.2908 0.0000 173.8567 128 Q 4.1571 7.4100 120.3013 55.0327 29.7627 175.3948 129 S 4.1437 8.4909 116.1828 59.2796 62.8400 174.0819 130 T 4.5366 8.3104 114.7623 61.4069 69.5020 175.6118 131 E 3.9795 8.0622 124.2074 60.1069 29.4848 179.0809 132 E 3.9778 8.1335 117.8990 59.3268 29.5138 179.1868 133 L 4.0777 7.9250 118.5833 57.9709 41.7089 179.6954 134 R 3.9072 8.2943 118.0344 58.9956 30.0539 179.1637 135 V 3.5517 8.0058 118.2310 66.2080 31.5518 178.3257 136 R 3.9523 7.9194 117.5571 59.0845 29.8529 178.8504 137 L 3.9296 8.2335 120.0635 58.0859 42.0985 178.8527 138 A 3.8844 8.0814 120.8250 55.1423 18.1589 179.6367 139 S 3.9974 7.8984 111.1297 61.7198 62.4824 175.8667 140 H 4.2283 8.2195 120.9883 59.2675 29.6296 176.8424 141 L 3.8800 8.5348 122.5010 58.1738 41.8027 178.9037 142 R 3.9536 8.0130 118.5931 59.4277 30.0069 178.7371 143 K 4.0623 7.8954 118.4025 59.5221 32.0982 179.4489 144 L 4.1292 8.2386 119.3402 57.7503 41.3780 179.8281 145 R 4.2552 8.3359 118.3911 59.1553 30.0067 179.1052 146 K 4.1128 8.2116 118.4899 59.3533 32.0419 179.3521 147 R 3.9061 8.1009 118.9766 59.3918 30.0093 178.2136 148 L 4.3529 8.0525 121.4514 57.5356 42.1161 178.5936 149 L 3.5355 8.3128 120.3845 58.2992 42.0347 179.2858 150 R 3.9550 8.1220 117.8740 59.3433 29.8911 178.8316 151 D 4.3949 8.3138 118.5415 56.9903 40.6779 178.6800 152 A 4.0697 8.2996 121.9191 55.0532 18.3349 179.1522 153 D 4.2337 8.1548 116.6554 57.3669 41.2100 177.9902 154 D 4.2794 8.2206 118.5870 57.3030 41.2767 177.8620 155 L 3.8883 8.1649 121.0239 58.3294 42.0305 178.9814 156 Q 4.3018 8.5625 118.1631 59.0645 28.6000 178.9614 157 K 4.0848 8.3105 119.6815 59.4532 32.0276 179.6930 158 R 4.0490 8.2612 118.4671 59.2470 29.9429 179.0220 159 L 4.0406 8.1333 118.5654 57.8883 41.4845 179.4395 160 A 4.1386 8.5148 119.5120 54.5257 18.2295 179.3495 161 V 3.8911 7.3287 115.4631 65.8208 31.8295 177.4263 162 Y 3.9317 8.3018 118.0727 60.5072 38.4891 177.2749 163 Q 4.1105 8.5048 120.2274 58.7367 29.1477 176.5137 164 A 4.1384 7.8011 125.8179 52.4601 19.4673 175.6343 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 23 G 8.35 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 0.00 0.00 0.00 24 Q 8.07 4.96 0.00 2.20 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.83 0.00 0.00 0.00 0.00 0.00 1.86 2.04 0.00 25 R 8.12 3.89 0.00 1.93 1.99 0.00 3.22 0.00 0.00 3.45 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 26 W 8.06 4.27 0.00 3.55 3.26 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 27 E 6.96 2.79 0.00 1.69 1.49 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 1.47 1.47 0.00 28 L 7.77 3.91 0.00 1.87 1.66 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.06 4.02 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 30 L 8.16 4.10 0.00 1.91 1.67 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.06 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 32 R 8.02 4.07 0.00 2.16 2.07 0.00 3.17 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 33 F 8.43 4.14 0.00 3.19 3.36 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 34 W 8.84 4.49 0.00 3.67 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 35 D 8.72 4.31 0.00 2.97 2.72 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 36 Y 8.17 3.85 0.00 3.11 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 37 L 8.08 3.90 0.00 1.52 1.47 0.81 1.18 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 38 R 7.57 3.56 0.00 1.38 1.89 0.00 3.25 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 39 W 8.04 4.20 0.00 3.22 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 40 V 7.72 2.87 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 0.80 0.00 0.00 0.88 0.00 0.00 41 Q 7.79 3.76 0.00 1.86 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 42 T 7.54 3.78 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 1.17 0.00 0.00 43 L 7.45 3.28 0.00 1.59 1.56 0.72 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.23 4.35 0.00 3.99 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 45 E 8.62 3.90 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 46 Q 8.03 4.07 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.91 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 47 V 7.24 3.00 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 0.62 0.00 0.00 -0.82 0.00 0.00 48 Q 7.85 3.94 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 49 E 8.23 4.12 0.00 2.23 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 2.48 2.53 0.00 50 E 8.22 4.08 0.00 2.12 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 0.00 2.44 2.72 0.00 51 L 7.98 4.13 0.00 1.83 1.89 0.56 1.17 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 L 7.75 4.42 0.00 1.65 1.72 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.56 4.76 0.00 3.99 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 54 S 8.30 4.66 0.00 4.04 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 0.00 55 Q 7.85 4.00 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 56 V 8.07 4.25 2.16 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 1.43 0.00 0.00 1.06 0.00 0.00 57 T 7.94 3.94 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 1.25 0.00 0.00 58 Q 8.18 4.06 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 59 E 8.39 3.86 0.00 2.07 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 2.27 2.34 0.00 60 L 7.79 3.76 0.00 1.80 1.78 0.91 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.97 3.95 0.00 2.09 2.09 0.00 3.17 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 1.64 1.86 0.00 62 A 8.00 4.00 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 63 L 7.96 4.05 0.00 2.05 1.97 0.69 0.87 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 64 M 8.74 3.91 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 65 D 8.28 4.34 0.00 2.88 2.71 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 66 E 8.33 3.94 0.00 2.07 2.16 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 2.36 2.39 0.00 67 T 8.06 3.98 4.38 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 1.39 0.00 0.00 68 M 8.29 4.10 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.82 0.00 69 K 8.26 3.91 0.00 1.93 2.05 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 70 E 8.35 4.07 0.00 2.17 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 0.00 2.55 2.53 0.00 71 L 8.13 3.83 0.00 1.89 1.46 0.52 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.15 3.87 0.00 1.91 1.81 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.63 7.81 73 A 8.15 4.04 1.42 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 0.00 0.00 74 Y 8.30 4.20 0.00 3.21 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.22 3.70 0.00 1.80 1.66 0.00 1.46 0.00 0.00 1.44 0.00 0.00 2.62 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.23 1.06 7.81 76 S 7.58 4.31 0.00 4.04 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 77 E 8.24 4.12 0.00 2.07 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 2.35 2.60 0.00 78 L 7.81 3.97 0.00 1.71 1.73 0.93 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.10 4.04 0.00 2.30 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 80 E 7.88 4.31 0.00 2.05 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 2.47 2.44 0.00 81 Q 7.79 4.29 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 *92 R 7.71 4.38 0.00 1.91 1.96 0.00 3.24 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 93 L 7.77 4.38 0.00 2.00 1.86 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.05 4.06 0.00 3.98 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 95 K 7.97 4.00 0.00 1.85 1.91 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.50 7.81 96 E 8.02 4.09 0.00 2.22 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 0.00 2.31 2.51 0.00 97 L 7.64 3.80 0.00 1.66 1.53 0.68 -0.14 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 98 Q 8.25 3.78 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 99 A 7.69 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.90 3.97 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 0.00 101 Q 8.28 3.80 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 102 A 7.76 3.97 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 0.00 103 R 8.01 3.84 0.00 2.06 2.12 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 104 L 7.63 4.02 0.00 1.90 1.66 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.98 3.54 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 0.00 0.00 0.00 106 A 8.15 4.07 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 0.00 107 D 8.34 4.34 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 M 8.11 4.25 0.00 1.91 2.08 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 1.67 0.00 109 E 8.30 4.07 0.00 2.18 2.02 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 2.35 2.37 0.00 110 D 8.52 4.37 0.00 2.86 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 0.00 111 V 7.78 3.56 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 1.08 0.00 0.00 1.06 0.00 0.00 112 C 8.09 4.25 0.00 3.23 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 0.00 113 G 8.40 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 0.00 0.00 0.00 114 R 7.99 3.99 0.00 2.01 2.08 0.00 3.18 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 115 L 7.93 4.05 0.00 1.93 1.72 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.34 3.61 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 1.02 0.00 0.00 1.00 0.00 0.00 117 Q 8.21 3.99 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 118 Y 8.01 4.02 0.00 3.13 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 0.00 119 R 8.11 3.87 0.00 2.17 2.13 0.00 3.16 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 120 G 7.99 3.57 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 0.00 0.00 0.00 121 E 8.02 3.92 0.00 1.83 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 0.00 2.32 2.50 0.00 122 V 7.58 3.52 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 0.91 0.00 0.00 0.21 0.00 0.00 123 Q 7.94 3.93 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 124 A 7.91 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 0.00 125 M 7.91 4.07 0.00 2.02 2.17 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 2.56 2.92 0.00 126 L 8.91 3.37 0.00 1.75 1.70 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.31 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 0.00 128 Q 7.41 4.16 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 129 S 8.49 4.14 0.00 3.86 3.76 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 0.00 130 T 8.31 4.54 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 1.20 0.00 0.00 131 E 8.06 3.98 0.00 1.96 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 2.33 2.51 0.00 132 E 8.13 3.98 0.00 2.06 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 2.40 2.46 0.00 133 L 7.93 4.08 0.00 1.99 1.90 0.78 0.98 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 0.00 134 R 8.29 3.91 0.00 2.21 1.94 0.00 3.44 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 135 V 8.01 3.55 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.02 0.00 0.00 136 R 7.92 3.95 0.00 1.97 1.99 0.00 3.20 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 137 L 8.23 3.93 0.00 1.84 1.75 0.84 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.08 3.88 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 7.90 4.00 0.00 3.91 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 0.00 140 H 8.22 4.23 0.00 3.37 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.53 3.88 0.00 1.92 1.74 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.01 3.95 0.00 2.04 2.08 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 143 K 7.90 4.06 0.00 2.00 1.90 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.51 7.81 144 L 8.24 4.13 0.00 1.72 1.77 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.34 4.26 0.00 2.04 2.03 0.00 2.95 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 146 K 8.21 4.11 0.00 2.05 1.93 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.67 7.81 147 R 8.10 3.91 0.00 1.96 2.18 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 148 L 8.05 4.35 0.00 2.19 2.15 1.19 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.31 3.54 0.00 1.82 1.81 0.21 1.31 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 0.00 150 R 8.12 3.96 0.00 1.91 1.97 0.00 3.20 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 151 D 8.31 4.39 0.00 2.78 2.71 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 0.00 152 A 8.30 4.07 1.31 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 0.00 0.00 0.00 153 D 8.15 4.23 0.00 2.76 2.87 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 0.00 154 D 8.22 4.28 0.00 2.91 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.16 3.89 0.00 1.78 1.92 0.67 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.56 4.30 0.00 2.50 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.71 2.77 0.00 157 K 8.31 4.08 0.00 1.93 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.75 7.81 158 R 8.26 4.05 0.00 1.93 1.95 0.00 3.08 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 159 L 8.13 4.04 0.00 2.02 1.97 0.68 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.51 4.14 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 0.00 161 V 7.33 3.89 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 1.04 0.00 0.00 1.01 0.00 0.00 162 Y 8.30 3.93 0.00 3.05 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 0.00 163 Q 8.50 4.11 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 164 A 7.80 4.14 1.18 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.