NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4090 8.3349 116.7917 57.5047 63.8438 173.5954 4 P 4.2512 0.0000 0.0000 60.4720 31.8983 172.4713 5 E 4.2909 8.4388 118.1758 55.1322 31.8826 174.8979 6 D 4.5419 7.9606 119.8894 52.2126 43.9898 174.7082 7 F 4.8002 8.5797 124.4372 55.8209 40.6546 174.6660 8 V 4.5803 8.5387 126.2160 61.1414 33.8638 173.7353 9 Y 5.2114 8.7611 127.4763 56.0754 41.8078 174.4983 10 Q 4.7871 8.7494 123.6029 54.2488 33.5906 173.6944 11 F 5.2084 8.9336 124.4931 56.3363 42.4718 173.7917 12 K 4.0334 8.1608 125.2688 54.2702 35.2215 175.3333 13 G 4.0403 8.2105 112.8462 44.9387 0.0000 172.3282 14 M 4.7709 8.8420 126.6897 53.0708 35.4279 174.5096 15 C 5.1619 8.3106 118.9224 55.1991 43.2664 172.7988 16 Y 4.4773 8.9578 121.5706 56.1898 39.9131 174.5687 17 F 5.4675 8.8334 123.0584 56.0855 41.8083 175.4095 18 T 4.4584 8.4713 119.2327 62.5699 72.5296 172.3975 19 N 4.2896 9.5526 125.1631 54.9885 37.5855 174.5982 20 G 4.2932 7.7224 115.2778 46.7411 0.0000 172.2797 21 T 4.4051 8.1953 111.5200 60.8570 69.0070 175.1998 22 E 3.9932 8.6491 124.8435 59.7020 29.9725 176.8590 23 R 4.6823 8.0075 118.2476 54.2490 32.9952 174.8495 24 V 4.8811 8.4655 123.4009 60.9665 34.5702 174.3624 25 R 4.6439 9.0288 127.9390 54.3977 33.0929 173.5027 26 L 5.1253 9.5348 129.3020 53.4855 44.7027 175.3564 27 V 5.0163 9.1221 126.1731 61.8891 35.0110 173.3773 28 T 4.9019 9.1802 119.2912 60.1296 71.2437 173.7663 29 R 5.0877 8.6154 124.0185 54.6072 33.9713 173.8159 30 Y 4.9425 9.1541 122.0260 56.4659 40.0610 174.8205 31 I 5.0389 8.9638 125.8434 59.5048 41.3341 174.0834 32 Y 4.7752 8.9146 127.2762 58.3534 40.5353 176.8428 33 N 4.2177 10.0770 130.0276 54.1727 37.0487 175.5061 34 R 4.6028 9.1578 118.4222 55.9025 32.8917 174.3635 35 E 4.5231 8.2882 117.9266 54.1396 30.7970 175.0103 36 E 4.5524 8.8506 125.5971 56.2377 29.0372 175.3110 37 Y 4.7701 8.8552 125.0324 57.2692 39.7407 175.0688 38 A 5.3498 7.4534 120.8448 51.2752 22.9000 175.0308 39 R 5.3782 9.0187 115.6171 55.5982 33.7485 173.4829 40 F 4.7230 9.3011 121.4555 56.3342 42.7594 172.6550 41 D 5.3470 7.7193 125.2916 52.1421 41.8878 176.4261 42 S 4.3215 9.6930 121.8558 61.3543 63.3683 176.4942 43 D 4.4971 9.1573 120.3024 56.2752 40.9007 177.0854 44 V 3.9028 7.2659 115.9242 63.3948 32.6877 176.7978 45 G 3.9477 8.7563 105.6455 44.9448 0.0000 173.0094 46 V 4.6860 6.4444 116.5412 59.6110 34.4673 174.3553 47 Y 4.5777 9.0192 119.3367 58.4138 38.7299 175.6859 48 R 4.8155 9.3735 121.2825 54.3146 34.3660 174.3854 49 A 4.7906 8.7627 125.6042 51.5424 18.6130 177.5774 50 V 4.0889 8.5802 123.7356 63.6508 32.7229 176.2210 51 T 4.7934 7.8013 109.9350 58.7097 71.8558 172.3407 52 P 4.5106 0.0000 0.0000 63.9562 31.0649 176.6826 53 L 4.1626 7.8564 120.4121 56.2193 42.6086 177.4400 54 G 4.1720 8.1923 104.0970 45.0843 0.0000 173.6393 55 P 4.2392 0.0000 0.0000 65.5383 31.1847 176.5230 56 P 4.1662 0.0000 0.0000 64.9941 31.0931 178.5490 57 A 3.1293 7.5009 119.1048 54.5757 18.5539 179.0584 58 A 3.9938 7.7987 119.0932 55.4713 18.4384 179.6851 59 E 3.8869 8.0772 116.7941 59.6247 29.3323 178.8547 60 Y 4.1526 7.1283 118.1098 60.7767 39.2310 178.0896 61 W 4.1909 7.6944 119.8198 59.6899 28.8242 178.3536 62 N 4.6819 8.5356 116.0870 55.6231 38.0905 176.7653 63 S 4.6184 7.7460 113.4373 58.3468 63.6288 173.8134 64 Q 4.4226 7.5791 122.6221 53.9866 29.7254 175.8215 65 K 3.8180 8.8385 124.5052 60.0023 32.1140 178.2182 66 E 4.0001 8.1669 117.8894 59.3604 29.2797 179.5256 67 V 3.5710 7.6673 117.9325 65.7716 31.5844 177.9891 68 L 4.1054 7.8004 118.5405 57.8262 41.4397 179.3199 69 E 3.9423 8.1841 118.4335 59.4947 29.2491 179.2572 70 R 3.8447 8.0621 117.5988 59.7658 30.2866 178.3885 71 T 4.2069 7.8843 116.7108 66.2968 68.0529 176.6372 72 R 3.9487 8.0183 119.8764 59.5763 30.0890 178.8867 73 A 4.0991 8.3025 120.0817 54.5483 18.2369 179.2747 74 E 4.4868 8.3458 118.9989 58.4572 29.3847 178.9110 75 L 3.9807 7.6867 120.4764 57.6478 42.0531 178.2737 76 D 4.5233 8.1662 118.5947 56.8294 41.6035 179.0365 77 T 4.0047 7.9185 109.3261 64.3151 68.6883 174.1237 78 V 4.2069 8.0059 119.2244 64.9798 33.3389 176.3217 79 C 4.3659 8.1970 114.9977 60.7773 40.0201 176.2564 80 R 4.0166 8.5365 121.6370 59.8053 30.2066 178.4944 81 H 4.2425 8.3431 117.8975 59.5977 29.8551 177.0948 82 N 4.4306 8.9568 118.5723 56.4154 38.2621 176.5968 83 Y 3.7488 8.2757 121.0349 60.9766 38.5379 178.4413 84 Q 4.0495 8.0999 118.3196 58.9486 27.2254 178.7439 85 L 3.9318 7.6588 119.3777 57.2228 41.7669 178.7739 86 E 4.1140 8.2006 119.9700 58.7189 29.2637 178.4215 87 L 3.7209 7.9282 120.3612 57.6350 42.2179 178.2739 88 R 4.4472 7.1043 112.5449 55.1163 30.1133 176.0377 89 T 4.3061 7.5515 106.6884 62.4152 69.8435 175.9275 90 T 3.8468 9.1161 117.0809 66.4078 69.3436 176.2132 91 L 4.2286 7.9392 118.5047 56.7031 41.6060 177.8105 92 Q 4.5612 7.8555 115.8263 55.1418 29.7379 175.7984 93 R 4.0375 7.7204 119.3766 56.3476 30.5599 176.0267 94 R 4.8237 8.4722 123.0212 54.6046 33.5781 174.4991 95 V 4.4656 8.7703 122.7222 60.8432 34.2903 174.6064 96 E 4.9540 9.2345 128.0243 55.3693 30.0960 175.1405 97 P 5.0226 0.0000 0.0000 62.7485 33.0306 175.2263 98 T 4.5988 8.6760 112.3272 60.2907 71.0304 173.3873 99 V 4.9315 8.3316 124.4400 61.5822 33.7467 174.7759 100 T 4.8347 8.7649 122.8570 61.9398 73.1388 172.7297 101 I 5.2149 8.4762 125.3034 59.5938 40.0384 175.0836 102 S 4.6619 8.7176 120.1563 55.9645 66.5395 172.0872 103 P 4.4421 0.0000 0.0000 62.6397 31.4453 176.4109 104 S 3.6335 8.5993 119.5809 62.2850 62.7512 175.3943 105 R 4.4712 9.8368 124.6281 55.1105 27.6826 181.3477 106 T 4.1181 8.0541 113.6156 62.0847 73.1174 178.0856 107 E 3.7381 9.4902 115.5259 56.8769 27.8979 167.3860 108 A 3.6292 7.6711 131.6171 53.4964 18.6392 177.8985 109 L 4.3554 8.5443 124.3720 55.2806 41.8423 174.1254 110 N 4.5604 8.1109 117.1254 55.3527 33.9107 179.1913 *111 H 3.9744 8.1949 114.5551 56.1276 26.5000 177.0656 *112 H 4.6958 7.8454 114.4627 53.8812 30.3752 177.2610 113 N 4.2213 8.1534 123.1807 50.6117 40.8737 173.5743 114 L 4.7878 8.0660 120.3065 53.7885 46.0112 173.9480 115 L 4.5279 8.0763 125.3008 52.6955 44.7048 175.4055 116 V 4.5697 8.5502 123.8309 61.4103 33.8433 173.5976 117 C 4.9526 9.4871 130.0585 55.3158 44.0112 172.1378 118 S 5.1548 9.0038 122.9801 56.8587 64.8636 173.2335 119 V 4.7431 8.8292 125.7551 61.4131 33.0615 174.4541 120 T 4.9676 8.6755 117.9672 59.6853 72.2799 173.1720 121 D 4.6966 8.4937 120.0035 56.0073 38.3200 172.2856 122 F 5.5348 7.3246 113.3898 54.5930 42.4010 175.1205 123 Y 4.9620 8.3055 115.8501 56.4537 41.9087 172.2443 124 P 3.5925 0.0000 0.0000 61.8181 32.3212 175.9377 125 A 3.4203 8.1912 122.6294 55.1533 18.2856 178.5342 126 Q 3.8407 7.6526 112.3957 57.1339 28.5416 176.1605 127 I 4.4802 7.6955 120.1494 59.8275 41.2746 173.1049 128 K 4.5678 8.8333 128.1543 54.6116 35.2648 174.9240 129 V 4.8299 8.4568 126.5092 61.1644 34.3669 174.6895 130 R 4.7058 9.1600 125.6549 54.2596 34.6153 173.9217 131 W 5.4028 8.6768 122.0942 55.2234 31.7458 175.0043 132 F 5.2991 9.6722 122.5612 55.6882 42.5891 174.5230 133 R 4.1374 9.0339 122.5318 55.0913 32.3280 177.0259 134 N 4.0848 9.6831 129.6667 54.6507 37.6490 175.7582 135 D 4.7844 9.2617 126.3741 53.9573 40.5518 176.0240 136 Q 4.8264 8.0137 119.6969 54.0917 31.4140 174.4230 137 E 3.8610 8.4932 121.4641 55.3812 30.5144 175.6488 138 E 4.4271 9.0983 126.6733 55.6485 30.4405 176.0319 139 T 4.3228 8.5831 113.9003 62.6080 70.4843 174.9460 140 T 4.3300 7.6029 111.1708 60.9912 70.7595 175.2435 141 G 3.7892 8.6189 109.5229 45.7731 0.0000 172.5415 142 V 4.7403 7.0501 119.7806 61.0158 33.1110 175.4127 143 V 4.5327 8.8969 127.0890 61.2308 34.8684 173.8626 144 S 5.4275 8.7334 121.5845 56.6139 65.1887 173.3754 145 T 4.4250 8.5573 115.7514 60.2754 69.9813 172.6556 146 P 4.4734 0.0000 0.0000 61.8827 32.1385 175.9877 147 L 4.1627 8.3308 121.9714 55.7055 42.7376 175.9211 148 I 4.4849 8.9472 127.2355 59.6042 39.6615 174.5550 149 R 4.2410 8.5704 128.0025 54.9527 29.8675 175.9176 150 N 4.3157 8.3083 125.0169 54.5993 38.8014 176.8142 151 G 3.8445 8.1011 106.1765 45.0357 0.0000 173.3362 152 D 4.8302 7.5699 117.6397 53.0003 39.7409 176.1353 153 W 3.2098 8.0208 116.6181 58.3833 26.2620 173.9984 154 T 4.9409 7.4390 106.5563 60.2761 72.2259 172.6485 155 F 5.1230 8.9892 121.9986 56.0421 42.7570 173.8837 156 Q 5.1531 8.6925 119.3705 55.5110 32.8219 172.8952 157 I 4.9191 9.0832 123.2013 59.9033 42.2987 173.0742 158 L 5.1734 8.6672 127.5337 52.9268 45.0964 175.5733 159 V 4.7825 8.8571 123.4719 61.5888 33.9857 174.2551 160 M 5.1030 9.1260 128.5732 54.2005 34.4414 175.1972 161 L 4.7308 7.9849 123.1016 52.9383 45.0275 175.3457 162 E 4.5726 9.2440 127.8169 56.5451 29.8894 176.0830 163 M 4.6412 8.1883 120.1569 54.8333 34.8703 174.3825 164 T 4.4520 8.3008 116.0448 60.6474 70.3036 172.6081 165 P 4.4922 0.0000 0.0000 63.2875 31.7781 175.9450 166 Q 4.4476 8.6456 120.9381 53.6862 32.3537 174.1248 167 R 3.9107 8.7143 122.4973 58.4196 30.6017 174.2483 168 G 4.3160 9.1959 115.7849 45.7807 0.0000 173.6964 169 D 4.6324 7.6501 119.6570 54.6874 42.2233 176.1794 170 V 4.6507 8.8137 120.6429 61.4445 35.1757 173.7127 171 Y 6.0505 9.7696 124.8784 55.8399 41.6161 174.7622 172 T 5.4003 8.9666 111.0222 60.5179 73.1722 172.7550 173 C 4.8779 9.4142 123.7973 55.1470 43.0473 171.9746 174 H 5.3444 9.3714 124.3122 54.2368 30.6809 173.9431 175 V 4.7736 8.6687 123.6350 61.0094 34.3172 173.8226 176 E 5.0323 9.3721 127.5875 54.8666 32.1605 174.5934 177 H 5.0981 8.4856 122.5434 53.9087 33.4555 172.2718 178 P 4.3812 0.0000 0.0000 64.4962 31.4906 177.3035 179 S 4.5808 8.0717 112.5280 58.2989 63.8892 173.4510 180 L 5.0459 7.6383 121.6339 53.8408 42.6438 176.7749 181 Q 4.1076 8.9261 121.5172 58.2016 29.0499 176.2222 182 N 5.0033 7.7247 113.4568 50.4375 40.8673 172.7379 183 P 4.6116 0.0000 0.0000 62.8972 32.7415 175.4733 184 I 4.2431 8.2618 122.2616 60.5727 38.7992 174.9606 185 I 4.8302 8.2518 126.7171 59.5858 40.0003 174.7901 186 V 4.4703 8.4793 127.4138 60.9257 34.0687 173.8807 187 E 5.4117 8.8636 127.2525 54.2071 32.5113 174.5959 188 W 5.1288 9.9632 135.0000 55.5792 34.1298 173.6886 189 R 4.7004 7.8983 123.6331 54.0238 30.3647 175.9330 190 A 3.2274 7.9107 125.8140 52.5010 18.9681 176.2084 191 Q 3.3529 8.3226 120.9368 53.7971 25.0748 173.7358 192 S 4.4810 7.7610 114.5427 58.8485 62.8600 176.2711 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 3 S 8.33 4.41 0.00 3.85 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 4 P 0.00 4.25 0.00 2.07 1.95 0.00 3.63 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 2.00 2.11 0.00 5 E 8.44 4.29 0.00 1.64 1.78 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 2.16 2.09 0.00 6 D 7.96 4.54 0.00 2.47 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 0.00 0.00 0.00 0.00 7 F 8.58 4.80 0.00 3.17 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 8 V 8.54 4.58 2.04 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 0.97 0.00 0.00 0.91 0.00 0.00 9 Y 8.76 5.21 0.00 3.20 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 10 Q 8.75 4.79 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 11 F 8.93 5.21 0.00 3.05 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 12 K 8.16 4.03 0.00 1.41 1.41 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.19 1.18 7.81 13 G 8.21 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 14 M 8.84 4.77 0.00 1.52 1.95 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 2.32 2.30 0.00 15 C 8.31 5.16 0.00 2.44 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 0.00 0.00 0.00 16 Y 8.96 4.48 0.00 2.81 2.81 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 17 F 8.83 5.47 0.00 3.06 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 18 T 8.47 4.46 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 1.25 0.00 0.00 19 N 9.55 4.29 0.00 2.98 2.80 0.00 0.00 7.10 7.91 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 20 G 7.72 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.20 4.41 4.12 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 0.00 0.00 0.48 0.00 0.00 22 E 8.65 3.99 0.00 1.97 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 2.32 2.28 0.00 23 R 8.01 4.68 0.00 1.83 1.80 0.00 3.13 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 24 V 8.47 4.88 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 0.67 0.00 0.00 1.04 0.00 0.00 25 R 9.03 4.64 0.00 1.85 1.76 0.00 2.96 0.00 0.00 2.78 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 26 L 9.53 5.13 0.00 1.74 1.52 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 V 9.12 5.02 2.30 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 1.10 0.00 0.00 1.02 0.00 0.00 28 T 9.18 4.90 4.42 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 1.28 0.00 0.00 29 R 8.62 5.09 0.00 1.56 1.79 0.00 3.04 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 30 Y 9.15 4.94 0.00 2.56 2.82 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 31 I 8.96 5.04 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.55 1.02 0.00 0.00 32 Y 8.91 4.78 0.00 3.15 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 10.08 4.22 0.00 2.62 2.55 0.00 0.00 6.82 7.54 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 34 R 9.16 4.60 0.00 1.74 1.88 0.00 3.16 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 35 E 8.29 4.52 0.00 2.23 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 0.00 2.42 2.44 0.00 36 E 8.85 4.55 0.00 1.98 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 2.33 2.30 0.00 37 Y 8.86 4.77 0.00 3.13 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 0.00 38 A 7.45 5.35 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 9.02 5.38 0.00 2.16 2.18 0.00 2.70 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 40 F 9.30 4.72 0.00 2.42 2.70 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 41 D 7.72 5.35 0.00 2.61 2.26 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.09 0.00 0.00 51 T 7.80 4.79 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 1.30 0.00 0.00 52 P 0.00 4.51 0.00 2.20 2.21 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 53 L 7.86 4.16 0.00 1.58 1.74 0.65 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.19 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 0.00 0.00 0.00 55 P 0.00 4.24 0.00 2.13 2.12 0.00 3.67 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 56 P 0.00 4.17 0.00 1.98 1.94 0.00 3.44 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 57 A 7.50 3.13 0.66 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 0.00 0.00 58 A 7.80 3.99 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.17 4.52 0.00 2.97 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 77 T 7.92 4.00 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 1.21 0.00 0.00 78 V 8.01 4.21 2.26 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 1.09 0.00 0.00 0.94 0.00 0.00 79 C 8.20 4.37 0.00 3.30 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 80 R 8.54 4.02 0.00 2.02 2.07 0.00 3.20 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 81 H 8.34 4.24 0.00 3.48 3.60 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.96 4.43 0.00 2.97 2.95 0.00 0.00 6.76 7.34 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 83 Y 8.28 3.75 0.00 2.94 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.90 0.00 0.00 117 C 9.49 4.95 0.00 2.53 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 0.00 118 S 9.00 5.15 0.00 3.96 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 0.00 119 V 8.83 4.74 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 0.72 0.00 0.00 0.83 0.00 0.00 120 T 8.68 4.97 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 1.28 0.00 0.00 121 D 8.49 4.70 0.00 2.88 2.79 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 0.00 122 F 7.32 5.53 0.00 2.94 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 8.31 4.96 0.00 3.26 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 0.00 124 P 0.00 3.59 0.00 1.82 1.68 0.00 3.74 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 125 A 8.19 3.42 0.63 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 0.00 0.00 126 Q 7.65 3.84 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 127 I 7.70 4.48 1.79 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.49 0.91 0.00 0.00 128 K 8.83 4.57 0.00 1.83 1.54 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.37 7.81 129 V 8.46 4.83 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 0.67 0.00 0.00 0.81 0.00 0.00 130 R 9.16 4.71 0.00 1.71 1.55 0.00 3.43 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 131 W 8.68 5.40 0.00 3.25 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 0.00 132 F 9.67 5.30 0.00 3.06 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 0.00 133 R 9.03 4.14 0.00 1.92 1.80 0.00 3.38 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.89 0.00 134 N 9.68 4.08 0.00 2.82 2.12 0.00 0.00 6.94 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 0.00 135 D 9.26 4.78 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.01 4.83 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 137 E 8.49 3.86 0.00 1.49 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.49 0.00 138 E 9.10 4.43 0.00 2.17 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 2.40 2.44 0.00 139 T 8.58 4.32 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 1.17 0.00 0.00 140 T 7.60 4.33 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 0.00 141 G 8.62 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 0.00 0.00 0.00 142 V 7.05 4.74 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 0.96 0.00 0.00 0.99 0.00 0.00 143 V 8.90 4.53 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 0.98 0.00 0.00 0.92 0.00 0.00 144 S 8.73 5.43 0.00 3.92 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 0.00 145 T 8.56 4.43 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 1.27 0.00 0.00 146 P 0.00 4.47 0.00 2.08 2.05 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 147 L 8.33 4.16 0.00 1.61 1.56 0.91 0.31 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 0.00 148 I 8.95 4.48 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.92 0.92 0.00 0.00 149 R 8.57 4.24 0.00 1.86 1.80 0.00 3.13 0.00 0.00 3.02 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.00 150 N 8.31 4.32 0.00 2.90 2.78 0.00 0.00 7.27 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 0.00 151 G 8.10 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.57 4.83 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 W 8.02 3.21 0.00 3.28 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 0.00 154 T 7.44 4.94 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 1.31 0.00 0.00 155 F 8.99 5.12 0.00 1.80 2.34 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 0.00 156 Q 8.69 5.15 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 157 I 9.08 4.92 2.11 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 1.29 1.41 1.02 0.00 0.00 158 L 8.67 5.17 0.00 1.67 1.56 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.86 4.78 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 1.19 0.00 0.00 0.95 0.00 0.00 160 M 9.13 5.10 0.00 1.96 1.93 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 2.58 2.48 0.00 161 L 7.98 4.73 0.00 0.27 0.13 0.70 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 162 E 9.24 4.57 0.00 1.83 1.78 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 2.25 2.16 0.00 163 M 8.19 4.64 0.00 1.67 1.80 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.69 0.00 164 T 8.30 4.45 4.28 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 1.24 0.00 0.00 165 P 0.00 4.49 0.00 2.30 2.31 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 166 Q 8.65 4.45 0.00 2.36 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 167 R 8.71 3.91 0.00 1.74 1.88 0.00 3.22 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 168 G 9.20 4.32 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 0.00 169 D 7.65 4.63 0.00 2.88 2.43 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 0.00 170 V 8.81 4.65 2.04 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 1.02 0.00 0.00 0.93 0.00 0.00 171 Y 9.77 6.05 0.00 3.48 3.32 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 0.00 172 T 8.97 5.40 4.42 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 1.31 0.00 0.00 173 C 9.41 4.88 0.00 2.02 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 0.00 174 H 9.37 5.34 0.00 3.17 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.67 4.77 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 0.80 0.00 0.00 0.78 0.00 0.00 176 E 9.37 5.03 0.00 1.84 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 0.00 2.22 2.21 0.00 177 H 8.49 5.10 0.00 2.97 3.01 0.00 5.68 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 0.00 178 P 0.00 4.38 0.00 1.97 2.04 0.00 2.99 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 179 S 8.07 4.58 0.00 4.10 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 0.00 180 L 7.64 5.05 0.00 1.93 1.65 1.00 0.86 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 0.00 181 Q 8.93 4.11 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 182 N 7.72 5.00 0.00 2.65 2.69 0.00 0.00 6.92 8.02 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 0.00 183 P 0.00 4.61 0.00 2.03 2.04 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 184 I 8.26 4.24 1.81 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 1.20 0.56 0.87 0.00 0.00 185 I 8.25 4.83 1.77 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.44 0.81 0.00 0.00 186 V 8.48 4.47 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 1.00 0.00 0.00 0.92 0.00 0.00 187 E 8.86 5.41 0.00 2.05 1.83 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 2.25 2.48 0.00 188 W 9.96 5.13 0.00 3.56 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 0.00 189 R 7.90 4.70 0.00 1.66 1.79 0.00 3.12 0.00 0.00 2.88 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.40 0.00 190 A 7.91 3.23 1.48 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 0.00 0.00 191 Q 8.32 3.35 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.20 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 192 S 7.76 4.48 0.00 3.84 3.65 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 * Residues marked with a * may have inaccurate shift predictions.