NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6383 8.1633 120.6192 55.6428 33.8112 173.2945 2 R 4.6763 8.5755 126.1280 53.7021 31.8301 174.0213 3 I 4.8722 9.1574 126.2818 59.4339 40.3768 174.7009 4 G 3.3584 8.7403 113.7306 43.9771 0.0000 171.6484 5 I 4.8946 8.5261 126.2439 59.1314 39.8238 175.1001 6 I 4.3088 8.5240 129.4932 61.6559 37.1619 176.2793 7 S 4.6483 8.9023 121.8558 58.1647 63.1643 175.5634 8 V 3.6990 7.6290 115.1138 62.4391 31.7770 176.1449 9 G 3.8098 8.2826 104.6144 44.1219 0.0000 170.0446 10 P 4.5631 0.0000 0.0000 60.8451 33.4440 174.1316 11 G 3.8886 8.5791 103.8652 44.4742 0.0000 171.9632 12 N 4.5247 8.5027 119.7718 53.7190 39.1313 175.8093 13 I 4.3225 8.1588 126.1745 62.9171 36.6313 173.6933 14 M 4.4270 7.9141 117.6590 58.8975 31.8699 178.0732 15 N 4.3355 8.6329 117.0268 55.9873 38.5142 177.1441 16 L 3.8447 7.8003 121.4949 57.9959 42.3242 177.8377 17 Y 3.9849 7.8528 119.3833 60.9698 38.5931 178.5558 18 R 3.9985 8.4633 119.0377 59.2598 30.1889 179.3575 19 G 3.5134 8.0223 105.5502 47.6349 0.0000 176.0416 20 V 3.4664 7.9072 120.9299 65.5731 31.3396 177.9956 21 K 3.8032 7.7614 119.9512 58.6758 31.9011 178.3427 22 R 3.9864 8.1384 118.9192 59.5728 29.8595 178.5120 23 A 4.1337 7.8283 119.1190 54.5975 18.5339 178.8197 24 S 4.5995 8.1570 111.1889 59.0336 63.1948 175.8809 25 E 4.0477 7.6977 122.7458 60.1461 29.2439 178.2675 26 N 4.4636 8.0937 111.9694 54.2242 38.8720 174.8943 27 F 4.7444 7.6568 118.0232 55.5280 40.5036 175.8082 28 E 4.0416 8.8575 124.3318 57.7630 30.4185 176.8314 29 D 4.3632 8.3033 119.4545 55.4093 38.1518 173.5723 30 V 4.8190 7.4323 118.1718 59.7662 33.9624 177.0337 31 S 4.9058 8.8526 118.0819 56.5806 66.5111 173.0149 32 I 5.0675 8.4525 121.8241 59.9266 40.1283 174.3707 33 E 4.9193 9.1680 126.8056 54.3355 32.8316 175.3776 34 L 4.7377 8.5214 122.8824 54.4681 42.7990 176.2958 35 V 4.5887 8.8967 124.2492 60.6154 34.2338 176.5813 36 E 4.8077 7.9421 126.2911 53.9736 29.3383 174.6160 37 S 4.5739 7.5241 114.4581 58.2507 64.6091 174.3314 38 P 3.1938 0.0000 0.0000 62.7199 31.1005 175.3700 39 R 4.5838 8.2858 121.9288 57.5025 37.7400 174.5502 *43 Y 4.6120 7.4028 114.9939 57.9921 39.5448 175.2403 44 D 4.6095 8.9958 122.5280 56.5774 42.4609 175.9773 45 L 4.8692 7.9122 120.3670 53.1659 45.2352 174.8050 46 L 4.8616 9.0040 129.5029 53.3057 44.4573 174.7927 47 F 5.1955 9.3152 125.3202 56.0560 41.5438 174.9283 48 I 4.7554 9.1229 125.5608 59.2517 38.4142 173.4901 49 P 4.8119 0.0000 0.0000 61.5873 34.2250 174.0961 50 G 4.0820 7.6251 106.1261 44.5256 0.0000 172.7160 51 V 4.2573 7.5339 122.9703 60.8506 32.1925 172.7970 *53 H 4.5223 8.1990 123.1654 55.0242 30.6906 173.5956 54 F 3.7910 8.8574 128.5523 61.4888 39.2893 177.0680 55 G 3.6658 8.1279 108.9348 48.5920 0.0000 173.1277 56 E 4.1840 7.6063 120.6510 56.9478 30.5278 176.5204 57 G 4.3432 8.9806 113.2511 46.6691 0.0000 175.9843 58 M 4.0209 7.3421 121.9948 58.2715 31.7622 179.9078 *59 R 4.0646 7.9531 121.0344 61.5600 29.5113 182.2819 60 R 4.4429 8.0310 119.7013 59.3114 30.3622 179.2855 *61 L 4.2841 8.2234 124.8895 59.6124 40.8257 184.2869 *62 R 4.1762 7.5201 119.1086 61.6606 29.2728 181.9485 63 E 4.4171 8.3444 115.3379 57.6040 29.1835 177.4354 64 N 4.8677 7.5861 113.6165 51.9949 41.0509 173.8753 65 D 4.3662 8.1814 116.5307 55.5659 40.1501 174.2403 66 L 4.7524 7.9281 118.2148 55.4455 43.7437 178.4012 67 I 3.7279 7.8895 119.7871 64.8362 36.9013 177.7019 68 D 4.4324 8.0943 118.8690 57.0540 40.9993 178.2954 69 F 4.3031 8.2422 120.8724 61.2590 39.3612 177.2352 70 V 3.7041 8.5101 120.7427 66.3990 31.4606 178.6134 *71 R 4.0316 8.0707 122.9169 62.3705 29.0209 181.3728 *72 K 4.3055 8.3805 124.5243 59.4946 31.6229 181.0739 73 H 4.1644 7.4874 114.9796 59.0040 28.7609 177.7260 74 V 3.4440 7.6549 119.9402 66.2602 31.1048 177.5803 75 E 3.9393 7.9600 117.2237 58.6547 29.3324 177.0828 76 D 4.7990 7.5529 118.7656 54.0677 41.9931 176.2182 *77 E 3.8701 7.6724 110.3714 56.2539 27.8124 177.8680 78 R 4.4637 7.5525 117.2767 56.7173 31.6099 175.9407 79 Y 4.3022 8.4451 119.0828 57.6587 39.5389 174.8842 80 V 4.5936 8.5706 123.7858 61.1043 34.7808 174.3097 81 V 4.7143 8.8946 129.2133 61.0239 34.0326 174.4218 82 G 4.2345 9.3728 116.9294 45.3349 0.0000 172.0528 83 V 4.8318 8.6721 125.4494 60.9683 33.9091 174.8786 84 C 3.7097 9.3165 128.6748 61.2614 27.7930 175.9846 85 L 4.1230 8.7205 132.5854 60.7664 39.7122 178.6365 86 G 3.9673 8.1493 104.8115 48.0774 0.0000 174.9728 87 M 4.1830 8.2434 120.3644 58.7482 32.4006 178.4075 88 Q 4.3970 8.2292 117.6387 59.0199 28.8680 178.5350 89 L 4.0396 8.0661 119.6410 57.0531 41.5734 179.0775 90 L 3.8692 7.9147 118.8373 56.6240 41.9568 176.9636 91 F 5.4767 7.7838 116.8455 55.3088 41.3031 175.8484 92 E 4.3120 9.2974 119.9089 58.8822 30.3967 176.9822 93 E 4.9330 7.6607 114.2372 55.6328 32.5286 174.3810 94 S 4.6453 7.5841 114.3652 55.5834 65.8998 173.4058 95 E 4.1476 7.2866 120.9100 55.3541 27.5002 178.8845 *97 A 3.9778 7.7121 122.2915 51.3965 19.1255 173.7453 98 P 4.4123 0.0000 0.0000 64.0551 31.9557 177.1544 99 G 4.0093 8.9624 112.4828 45.2262 0.0000 173.4271 100 V 3.9335 7.3188 122.0590 62.4410 32.2060 176.4342 *101 K 4.2575 8.6400 128.8929 54.3676 32.7075 174.6714 102 G 4.4347 8.7450 112.9476 44.3942 0.0000 173.4702 103 L 4.0748 8.6995 118.5806 55.7577 41.6391 177.7870 104 S 4.0335 8.0758 113.8047 59.4089 61.0399 174.7329 105 L 4.0230 7.3698 122.1078 56.6747 41.7891 177.9063 106 I 4.3208 7.3840 119.1346 58.6359 39.5936 174.6976 107 E 4.2829 8.7305 123.2159 54.8950 30.3047 177.2193 108 G 4.1702 7.8434 110.4122 44.9779 0.0000 169.5471 109 N 5.3196 7.9047 116.6428 51.6101 41.0548 173.2200 110 V 4.7776 8.3753 117.7985 61.3205 34.8951 174.5393 111 V 4.6290 8.7258 125.0903 60.9561 35.2606 173.7910 112 K 3.9309 8.6448 128.5423 56.4475 33.0366 176.6053 113 L 4.0433 8.1832 128.0913 55.1747 42.1195 178.9652 114 R 4.1221 9.1408 119.6105 57.2355 29.3025 176.5656 115 S 4.4763 7.5750 114.8043 58.8608 63.3243 175.1169 *116 R 4.0415 8.3352 123.7875 58.3453 29.5726 177.2611 117 R 4.5006 7.5784 115.9481 55.2773 30.0675 175.8575 118 L 4.7973 8.0094 121.8729 52.4047 45.7723 174.5329 119 P 4.5258 0.0000 0.0000 61.9823 32.9458 175.5159 120 H 3.6007 8.5164 121.6924 56.6210 30.5802 174.0460 121 M 4.9218 8.5909 125.8114 54.5596 35.1023 174.1982 122 G 3.8205 8.0405 113.4312 43.7586 0.0000 171.0644 123 W 5.2310 8.7594 120.9773 56.3211 29.8286 175.7865 124 N 5.4144 9.7589 123.1317 51.5034 42.4606 172.7251 125 E 4.0968 8.4487 124.6690 55.8210 30.8144 175.6910 126 V 4.4852 8.7957 126.9728 60.3419 34.1619 174.1118 127 I 4.6534 8.4626 128.9709 59.6468 39.2655 174.6920 128 F 5.1098 9.5518 127.0300 56.3108 39.6285 176.6676 129 K 4.3342 9.6500 123.1057 59.6119 32.4445 176.6066 130 D 4.3696 8.4246 115.8632 54.3851 41.3438 175.2216 131 T 3.4832 8.7457 120.1265 63.9694 66.4866 172.7823 132 F 4.4283 7.1921 117.4097 55.2498 40.2969 173.9752 133 P 4.5367 0.0000 0.0000 62.1477 31.3383 176.5774 134 N 4.9059 9.1479 121.7138 52.6502 39.2636 175.4907 135 G 4.0492 7.5976 108.4132 45.4106 0.0000 170.1245 136 Y 5.0350 8.1127 117.5188 57.4343 38.8928 175.1985 137 Y 4.8440 9.2133 120.7823 55.8630 42.5092 174.5381 138 A 4.2659 8.2353 123.3988 51.2175 19.8608 176.6031 139 F 4.9885 9.2775 122.0425 56.4996 42.1312 176.0640 140 V 5.1732 8.4491 121.5340 62.5311 32.5859 172.1638 141 H 4.9359 9.3377 121.0313 54.7311 32.1373 174.2345 142 T 4.1186 8.7212 115.2187 64.4619 70.8477 174.0788 143 Y 5.1073 7.9681 117.2319 56.2597 40.1166 175.4757 144 R 4.8324 9.1040 118.2350 54.2104 33.2019 174.4490 145 A 4.4522 8.5385 121.4032 51.3089 20.2627 177.0290 146 V 4.3597 8.4511 120.6215 61.2902 34.2333 174.4348 147 C 4.9950 8.3092 121.4659 57.1718 32.9675 173.2205 148 E 4.2670 8.8250 117.7885 55.9149 30.0390 178.1103 149 E 4.0373 9.0212 123.8817 60.1284 29.8674 179.9117 150 E 3.9518 8.3192 113.8682 58.8164 29.7876 181.4589 151 H 5.3387 8.3860 113.7209 54.5594 29.3881 174.5547 152 V 4.1433 7.4731 120.5531 62.6574 32.2532 174.3887 153 L 4.7157 9.2073 128.3189 56.1400 44.3409 176.1046 154 G 4.2329 7.9083 104.3215 44.4573 0.0000 171.4622 155 T 4.9925 8.4045 117.7067 61.8785 72.1298 173.3245 156 T 4.9173 8.0789 120.1889 61.8456 73.4121 172.4182 157 E 5.1737 8.6357 123.2089 54.7395 31.8645 174.6223 158 Y 4.6821 8.7912 124.9140 56.4430 41.0988 174.6361 159 D 3.8430 9.4196 128.2679 55.3831 39.2582 174.2736 160 G 3.8256 8.2453 104.7662 45.3777 0.0000 172.8519 161 E 4.5870 7.8634 121.9638 54.4480 31.4676 174.5531 162 I 4.9197 8.4253 128.4205 60.2311 38.6287 175.0772 163 F 4.9943 8.6781 120.8827 54.4469 42.1632 172.2194 164 P 4.7457 0.0000 0.0000 62.8695 30.4622 176.6683 165 S 4.7290 8.5791 120.1554 59.7453 64.4782 173.8257 166 A 5.1136 7.6867 121.6908 50.7690 22.6827 175.0862 167 V 4.8961 8.7126 119.6482 61.7442 36.0033 174.3602 168 R 4.7445 9.1102 125.2044 55.7910 33.9967 173.7131 169 K 4.6276 8.6789 128.8810 54.6536 33.6603 178.2383 170 G 3.8664 8.6128 119.0402 46.5460 0.0000 172.3309 171 R 3.9856 8.6998 123.0356 55.4866 30.9171 174.7544 172 I 4.6281 7.3303 120.4504 60.3257 38.6002 174.9301 173 L 5.0239 9.2742 126.5347 52.7847 45.8713 175.8025 174 G 4.1568 8.5723 108.6186 44.4162 0.0000 171.3616 175 F 5.0127 8.8854 123.0796 55.5580 41.7580 175.7516 176 Q 4.1222 8.8457 125.4655 57.3387 29.6576 175.4122 177 F 4.2312 6.2415 113.0360 55.6855 40.2666 174.8082 178 H 4.6479 8.7445 118.3704 53.5098 28.3380 173.9546 179 P 4.5103 0.0000 0.0000 65.3029 31.4238 178.4836 180 E 4.2022 8.1532 113.3312 57.5322 29.7628 176.7299 181 A 4.7551 7.9448 121.8293 52.2233 19.8353 176.3478 182 S 4.6826 7.9888 113.6876 59.3337 64.2282 175.4101 183 S 3.6673 8.3333 114.9997 58.9450 61.7110 173.4858 184 K 3.9207 8.7705 113.4544 59.8195 31.8627 178.6101 185 I 3.8676 7.7612 118.1313 63.5856 37.8502 178.0724 186 G 3.7217 8.0014 106.6711 47.5695 0.0000 175.6365 187 R 3.9124 7.8106 121.2348 59.2334 30.1460 178.5211 188 K 4.0628 8.2387 119.3239 59.3056 32.1225 178.5341 189 L 4.0914 8.1112 120.6885 58.2466 42.1189 179.0118 190 L 4.0337 8.3585 119.3724 57.6692 41.5383 179.1441 191 E 4.0535 8.7127 119.0468 59.6226 29.6279 179.5239 192 K 4.2987 8.2661 119.2988 59.3271 31.9400 179.0574 193 V 3.7622 7.6761 118.1683 65.9065 31.6824 177.8320 194 I 3.6250 7.7498 119.4763 64.4726 36.7389 178.3213 195 E 3.9875 8.2384 118.0328 59.4203 29.3776 178.9931 196 C 4.2446 7.6538 116.8594 62.1385 28.0061 175.5963 197 S 4.2256 7.0584 114.0977 58.4352 63.2635 174.2215 198 L 4.3382 7.9181 128.5488 56.0173 42.3881 176.4884 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 M 8.16 4.64 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 2 R 8.58 4.68 0.00 1.90 2.12 0.00 3.16 0.00 0.00 3.27 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 3 I 9.16 4.87 2.03 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 1.17 0.75 1.12 0.00 0.00 4 G 8.74 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 0.00 0.00 0.00 5 I 8.53 4.89 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.91 0.00 0.00 6 I 8.52 4.31 2.00 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 1.37 0.52 0.93 0.00 0.00 7 S 8.90 4.65 0.00 3.92 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 8 V 7.63 3.70 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 0.71 0.00 0.00 0.92 0.00 0.00 9 G 8.28 3.81 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 0.00 0.00 0.00 10 P 0.00 4.56 0.00 2.23 2.22 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 11 G 8.58 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.50 4.52 0.00 2.69 2.75 0.00 0.00 6.66 7.94 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 13 I 8.16 4.32 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.64 0.91 0.00 0.00 14 M 7.91 4.43 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 15 N 8.63 4.34 0.00 2.94 2.87 0.00 0.00 6.51 6.34 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 16 L 7.80 3.84 0.00 1.67 1.68 0.64 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.85 3.98 0.00 3.12 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 18 R 8.46 4.00 0.00 2.07 1.99 0.00 3.23 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.04 0.00 19 G 8.02 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 20 V 7.91 3.47 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 0.93 0.00 0.00 0.48 0.00 0.00 21 K 7.76 3.80 0.00 1.18 1.69 0.00 1.71 0.00 0.00 1.48 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.15 7.81 22 R 8.14 3.99 0.00 2.14 2.03 0.00 3.15 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 1.63 1.65 0.00 23 A 7.83 4.13 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 24 S 8.16 4.60 0.00 4.11 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.70 4.05 0.00 2.07 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 0.00 2.36 2.57 0.00 26 N 8.09 4.46 0.00 2.33 2.57 0.00 0.00 6.84 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 27 F 7.66 4.74 0.00 3.21 2.96 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 28 E 8.86 4.04 0.00 2.02 1.93 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 2.33 2.30 0.00 29 D 8.30 4.36 0.00 2.77 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 30 V 7.43 4.82 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 0.92 0.00 0.00 0.94 0.00 0.00 31 S 8.85 4.91 0.00 3.99 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 32 I 8.45 5.07 1.88 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 0.97 0.00 0.00 33 E 9.17 4.92 0.00 2.04 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 2.37 2.51 0.00 34 L 8.52 4.74 0.00 1.50 1.57 0.73 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.90 4.59 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 1.24 0.00 0.00 0.85 0.00 0.00 36 E 7.94 4.81 0.00 2.04 1.93 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 2.17 2.27 0.00 37 S 7.52 4.57 0.00 3.80 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 3.19 0.00 1.97 2.00 0.00 3.55 0.00 0.00 3.36 0.00 0.00 0.00 0.00 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0.85 1.16 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 0.00 119 P 0.00 4.53 0.00 1.90 1.94 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 120 H 8.52 3.60 0.00 2.61 2.92 0.00 5.56 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 M 8.59 4.92 0.00 1.97 1.83 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 2.45 2.53 0.00 122 G 8.04 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.76 5.23 0.00 3.25 3.43 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 0.00 124 N 9.76 5.41 0.00 2.78 2.27 0.00 0.00 6.41 7.25 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 0.00 125 E 8.45 4.10 0.00 1.16 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 2.08 1.85 0.00 126 V 8.80 4.49 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 0.30 0.00 0.00 0.89 0.00 0.00 127 I 8.46 4.65 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.87 0.93 0.00 0.00 128 F 9.55 5.11 0.00 3.30 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 0.00 129 K 9.65 4.33 0.00 1.74 1.97 0.00 2.00 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.48 7.81 130 D 8.42 4.37 0.00 2.74 2.65 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 0.00 0.00 0.00 0.00 131 T 8.75 3.48 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 0.28 0.00 0.00 132 F 7.19 4.43 0.00 1.51 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 0.00 0.00 0.00 0.00 133 P 0.00 4.54 0.00 2.23 2.10 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 134 N 9.15 4.91 0.00 2.84 2.87 0.00 0.00 7.07 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 0.00 135 G 7.60 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 0.00 136 Y 8.11 5.03 0.00 2.85 3.25 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 0.00 137 Y 9.21 4.84 0.00 2.24 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 0.00 0.00 0.00 138 A 8.24 4.27 0.44 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 0.00 139 F 9.28 4.99 0.00 2.92 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 0.00 140 V 8.45 5.17 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 0.74 0.00 0.00 0.88 0.00 0.00 141 H 9.34 4.94 0.00 3.37 3.42 0.00 5.48 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.72 4.12 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 0.70 0.00 0.00 143 Y 7.97 5.11 0.00 2.87 2.83 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 0.00 144 R 9.10 4.83 0.00 1.66 1.58 0.00 2.60 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 145 A 8.54 4.45 0.86 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 0.00 0.00 146 V 8.45 4.36 1.96 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 0.96 0.00 0.00 0.86 0.00 0.00 147 C 8.31 4.99 0.00 3.21 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 0.00 148 E 8.83 4.27 0.00 2.00 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 2.46 2.29 0.00 149 E 9.02 4.04 0.00 2.00 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 2.42 2.28 0.00 150 E 8.32 3.95 0.00 1.98 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 2.24 1.92 0.00 151 H 8.39 5.34 0.00 3.24 3.35 0.00 5.59 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.47 4.14 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 0.73 0.00 0.00 1.02 0.00 0.00 153 L 9.21 4.72 0.00 1.82 1.75 1.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 154 G 7.91 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 0.00 0.00 0.00 0.00 155 T 8.40 4.99 4.15 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 1.09 0.00 0.00 156 T 8.08 4.92 3.28 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 0.84 0.00 0.00 157 E 8.64 5.17 0.00 1.93 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 2.18 2.35 0.00 158 Y 8.79 4.68 0.00 2.71 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 0.00 159 D 9.42 3.84 0.00 1.64 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 0.00 0.00 0.00 0.00 160 G 8.25 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 0.00 161 E 7.86 4.59 0.00 2.03 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 2.32 2.29 0.00 162 I 8.43 4.92 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.86 0.00 0.00 163 F 8.68 4.99 0.00 3.12 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 0.00 164 P 0.00 4.75 0.00 2.06 2.15 0.00 3.98 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 165 S 8.58 4.73 0.00 4.32 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 0.00 166 A 7.69 5.11 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 0.00 167 V 8.71 4.90 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 0.96 0.00 0.00 1.15 0.00 0.00 168 R 9.11 4.74 0.00 1.88 1.78 0.00 3.16 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 169 K 8.68 4.63 0.00 1.54 1.46 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.23 1.29 7.81 170 G 8.61 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 0.00 0.00 0.00 171 R 8.70 3.99 0.00 1.42 0.77 0.00 2.78 0.00 0.00 2.52 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.29 0.00 172 I 7.33 4.63 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.06 0.78 0.00 0.00 173 L 9.27 5.02 0.00 1.39 1.03 1.23 0.84 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 0.00 174 G 8.57 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 F 8.89 5.01 0.00 2.50 1.45 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 0.00 0.00 0.00 0.00 176 Q 8.85 4.12 0.00 2.15 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.69 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 177 F 6.24 4.23 0.00 2.72 1.45 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 0.00 0.00 0.00 0.00 178 H 8.74 4.65 0.00 3.03 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 P 0.00 4.51 0.00 2.15 2.15 0.00 3.54 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 180 E 8.15 4.20 0.00 2.15 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 2.27 2.25 0.00 181 A 7.94 4.76 1.14 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 0.00 0.00 182 S 7.99 4.68 0.00 4.16 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 0.00 183 S 8.33 3.67 0.00 4.19 3.77 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 0.00 184 K 8.77 3.92 0.00 1.82 1.85 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.50 7.81 185 I 7.76 3.87 1.75 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.33 0.53 0.00 0.00 186 G 8.00 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 0.00 187 R 7.81 3.91 0.00 1.86 2.08 0.00 3.36 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 188 K 8.24 4.06 0.00 2.10 1.97 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.54 7.81 189 L 8.11 4.09 0.00 2.12 2.05 0.25 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 190 L 8.36 4.03 0.00 1.87 1.70 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 191 E 8.71 4.05 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.63 0.00 192 K 8.27 4.30 0.00 1.99 2.10 0.00 1.30 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.16 1.09 7.81 193 V 7.68 3.76 2.36 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 0.94 0.00 0.00 1.15 0.00 0.00 194 I 7.75 3.62 1.58 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.29 0.01 0.00 0.00 195 E 8.24 3.99 0.00 2.01 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 2.68 2.77 0.00 196 C 7.65 4.24 0.00 2.97 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 0.00 197 S 7.06 4.23 0.00 3.86 3.40 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 0.00 198 L 7.92 4.34 0.00 1.56 1.54 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.