NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 N 4.7580 8.4093 117.7926 52.5251 39.7937 173.5938 2 D 4.8901 8.2222 112.6421 51.9731 39.0380 173.0569 3 D 4.7275 8.4706 120.1852 53.2011 42.6751 176.6326 4 K 4.7539 8.0251 116.7657 54.8697 36.2907 175.9154 5 L 4.9457 9.0057 121.8767 53.2291 44.8390 175.1724 6 Y 5.2984 9.3746 118.4068 56.3288 41.7548 174.7880 7 R 4.9511 9.2800 123.1037 54.4153 33.3670 174.0396 8 A 4.9146 8.9342 128.6595 52.2380 19.4858 175.9470 9 D 4.8439 9.6144 120.7272 53.4671 44.9875 176.1724 10 S 4.6441 8.9810 118.8430 59.1507 63.9057 174.1649 11 R 4.3298 8.9040 122.4284 54.8873 30.7388 175.3285 12 P 3.8204 0.0000 0.0000 61.6551 33.6462 175.5293 13 P 3.7846 0.0000 0.0000 65.7569 30.9959 178.7344 14 D 4.3154 7.6745 117.2411 57.1100 40.7173 178.2283 15 E 3.8872 7.8676 119.4985 59.2201 29.7873 178.7377 16 I 3.6326 7.5570 119.9741 63.9745 36.9339 178.3609 17 K 3.0393 8.3729 123.5167 59.9127 31.7641 179.6333 18 Q 3.9523 7.5118 119.1565 59.8727 28.0836 179.9595 19 S 4.4915 7.6861 114.3046 59.9657 63.2609 175.4227 20 G 3.8413 7.0839 109.9771 44.5927 0.0000 173.4265 21 G 4.2240 6.8878 105.4815 43.5089 0.0000 174.0173 22 L 4.1356 8.1457 120.9535 54.3090 40.1635 176.6917 23 M 4.6375 8.0393 123.0748 53.1564 33.7543 174.7041 24 P 4.6275 0.0000 0.0000 62.0200 32.7760 177.3477 25 R 4.0659 8.6285 118.8842 59.5079 29.9235 178.6666 26 G 3.8756 8.9481 105.7260 46.5732 0.0000 175.6308 27 Q 3.8974 7.9269 122.2685 59.3491 28.6998 178.2381 28 S 4.4273 8.1200 114.6355 61.1993 63.0867 175.8020 29 E 3.9983 7.8718 122.0293 59.1327 29.4285 178.1032 30 Y 4.1106 8.0068 121.1577 60.1929 38.6880 177.7605 31 F 4.3997 7.9514 116.3787 59.3890 39.1113 176.8495 32 D 4.6628 7.6401 117.0282 56.1394 41.5955 178.1118 33 R 4.4719 8.3421 115.6634 55.3816 31.4972 177.5275 34 G 3.5800 7.5870 106.0258 45.1657 0.0000 173.5082 35 T 4.0110 7.5144 117.4593 62.9992 68.7439 174.0001 36 Q 4.3560 8.6049 126.3894 55.8518 29.4114 176.4325 37 M 4.2640 8.4135 121.8487 55.4607 32.6986 175.7748 38 N 4.6814 9.2460 121.3745 52.5528 38.7307 174.7869 39 I 4.1711 8.1314 118.7304 60.7924 38.1702 175.9734 40 N 4.7341 8.6381 120.3389 53.1320 38.8612 175.5108 41 L 3.4017 8.9363 129.2607 57.9861 42.1088 178.3520 42 Y 3.9991 8.4532 120.0536 60.6716 38.6777 177.5878 43 D 4.2690 8.0557 119.4380 57.3665 40.7234 178.0993 44 H 4.1331 7.8607 117.9623 59.2467 29.9699 176.9950 45 A 4.0116 7.7367 121.3855 54.8014 18.2019 179.7508 46 R 3.8479 7.5222 116.2088 57.8453 30.6689 178.3676 47 G 3.7260 7.9441 108.9728 45.9610 0.0000 175.7229 48 T 3.4544 8.5744 124.4101 59.2615 69.3132 172.3111 49 Q 4.0190 8.1417 131.3734 55.5943 28.2018 176.6855 *52 F 4.4032 8.3089 123.5686 56.7149 39.6210 172.4449 *53 V 4.0695 7.9400 114.2479 61.7338 32.2493 172.9971 54 R 4.1855 8.1970 119.6741 56.7284 30.6730 177.9054 55 H 4.4588 8.6808 117.6200 58.0242 29.2629 176.6203 56 D 4.8771 7.9493 117.3497 52.6806 39.8751 175.1976 57 D 4.5807 7.8340 121.3679 55.0099 42.2964 176.6540 58 G 4.1596 8.7011 111.4733 46.1015 0.0000 172.0088 59 Y 5.2665 8.2655 117.0977 55.7902 41.5067 175.5681 60 V 4.4431 8.5901 120.8094 61.1757 34.1360 175.1392 61 S 4.8820 8.9513 124.6582 58.9384 63.8378 173.5475 62 T 4.9723 8.8867 112.2321 60.4909 72.9300 172.4733 63 S 5.2824 10.1598 117.5881 56.7302 65.9989 175.7238 64 I 4.1576 8.5974 115.0825 62.5662 38.3985 176.1072 65 S 4.6965 7.7118 114.6874 55.6385 67.2454 174.4325 66 L 3.5477 7.7118 124.8256 58.5087 41.7913 179.4473 67 R 3.8760 7.6930 120.2239 61.3984 29.2855 181.2946 68 S 4.3370 8.1385 115.3902 61.4428 62.8990 176.6059 69 A 4.0530 7.9307 123.2442 55.3668 18.0426 179.0904 70 H 4.1324 8.5469 117.0636 59.3448 29.9678 177.1818 71 L 3.9588 8.0232 122.1115 58.1862 41.8743 178.9562 72 V 3.7422 7.5511 119.7792 65.4135 30.9037 178.2711 73 G 3.1332 8.3129 106.8963 46.6025 0.0000 174.8001 74 Q 4.2794 8.1709 117.5192 57.3660 29.0198 176.2201 75 T 4.3580 7.6385 110.1892 63.8073 70.2824 176.4622 76 I 3.7262 8.2013 125.0784 62.8610 37.6950 177.1177 77 L 4.4719 7.1299 119.1454 54.3906 41.8129 176.0544 78 S 4.2222 7.4707 114.4796 59.3218 62.7548 173.4245 79 G 4.1387 9.0670 115.3682 46.1530 0.0000 173.5671 80 H 4.4406 7.7645 117.5816 55.4167 29.3854 175.1803 81 S 4.3802 9.0854 121.2546 61.5652 63.5180 174.3576 82 T 5.0735 7.7870 113.9545 61.8126 71.3835 172.6823 83 Y 4.9850 8.0655 122.3807 56.0904 42.3965 173.0090 84 Y 4.7313 9.7197 117.0781 56.2312 41.8716 175.3686 85 I 5.0188 8.3232 123.5138 60.1457 39.0458 174.3059 86 Y 5.0084 9.5363 127.0189 57.3006 39.3580 175.1436 87 V 4.2821 8.9680 125.4674 62.1722 32.9681 174.7862 88 I 5.0499 9.0017 128.7181 59.3948 40.8369 174.8938 89 A 4.7405 8.6560 127.7531 51.2939 19.8626 177.3634 90 T 4.2467 8.3705 109.9414 61.7456 70.0939 173.8040 91 A 4.7738 8.1939 123.8789 49.8096 22.9174 175.2131 92 P 4.3784 0.0000 0.0000 63.7114 31.1900 176.7469 93 N 4.7664 7.9644 115.3313 52.9997 38.7543 173.9019 94 M 5.1288 7.8643 120.2328 54.1583 34.6220 175.0621 95 F 5.0597 9.1534 120.4600 55.5754 43.7905 174.2511 96 N 4.8984 8.8238 120.9968 52.6872 38.7489 175.5512 97 V 3.6172 8.7392 126.6543 66.5159 31.2898 177.7312 98 N 4.5927 8.2713 115.1749 56.1415 38.1455 176.6671 99 D 4.6646 7.9824 119.5721 56.2857 41.1687 178.7116 100 V 4.0865 7.6252 118.2831 65.9539 32.1775 177.7099 101 L 4.6004 8.8310 118.1513 54.4279 41.9636 178.2755 102 G 4.0862 8.9490 107.4239 46.5663 0.0000 177.1378 103 A 3.9046 9.0244 126.2926 54.8440 18.1622 178.0891 104 Y 4.3743 7.5053 110.8598 57.9596 37.3146 175.4185 105 S 4.2532 7.9594 116.9124 58.0859 62.6056 173.1442 106 P 4.4044 0.0000 0.0000 65.7260 31.6644 176.7846 107 H 4.9483 7.6182 111.6932 53.1728 29.8074 172.0312 108 P 4.6028 0.0000 0.0000 64.8453 31.7566 179.3397 109 D 4.5208 8.0442 117.6634 56.6942 40.9869 177.1752 110 D 4.3603 8.1029 118.9132 55.7033 41.3264 176.4641 111 Q 3.4193 7.6983 117.1716 56.6874 27.0441 173.5273 112 D 4.8626 7.6590 117.0156 53.7543 43.7351 175.7276 113 V 4.8424 8.6541 125.5895 61.5737 33.6385 174.1209 114 S 5.3240 9.0142 124.7924 56.9731 65.3495 173.3979 115 A 4.9560 9.0726 127.1800 50.3888 20.1239 176.1250 116 L 3.8101 9.3096 126.5992 56.6533 42.3475 177.4993 117 G 3.6928 8.8794 115.8491 44.9239 0.0000 173.6190 118 G 3.9070 8.0874 104.6687 45.0367 0.0000 172.7773 119 I 4.4041 8.5157 118.8232 58.4401 39.2909 174.3548 120 P 4.8949 0.0000 0.0000 62.7529 32.0149 177.0103 121 Y 4.2339 8.6832 121.5577 60.5654 39.1045 178.1455 122 S 4.6774 8.2281 112.9457 59.6179 63.5838 175.0509 123 Q 4.0726 8.0241 121.4199 56.6400 29.1510 174.7770 124 I 4.4855 7.3183 118.5835 60.8232 37.1376 174.8457 125 Y 2.8019 9.1124 128.9840 59.6455 39.6580 175.7134 126 G 3.7065 7.4803 102.9623 46.2920 0.0000 171.5770 127 W 5.6301 6.9348 115.5674 55.5722 31.9422 174.0243 128 Y 4.9055 8.9766 120.4395 57.1651 39.8136 174.1853 129 R 4.3998 8.5968 121.1321 54.4140 32.7884 174.8745 130 V 4.1584 7.9455 126.6245 61.3867 33.6156 173.5063 131 H 4.8359 8.5629 128.7754 54.5642 32.1368 174.0657 132 F 4.1613 9.1512 125.5476 58.6488 36.9743 176.8927 133 G 4.0538 8.4733 108.2273 45.4414 0.0000 174.4179 134 V 4.0336 7.5850 120.4456 61.9587 32.7152 175.0592 135 L 5.0644 8.2082 127.5011 53.2949 41.5286 175.3392 136 D 4.8024 7.9436 116.1849 52.7040 40.7967 176.8649 137 E 4.5194 7.7700 119.7360 55.0873 30.8602 175.9663 138 Q 4.4528 8.4041 121.9052 55.1797 29.7342 175.4084 139 L 3.6138 8.2749 121.5719 55.3857 42.9711 175.3459 140 H 4.4834 8.2823 126.3306 54.5880 31.1732 174.2732 141 R 3.7164 7.8766 125.3126 55.7523 31.2051 175.7172 142 N 4.3499 8.0726 122.8479 52.6572 39.2865 176.1934 143 R 4.0167 8.8657 126.0552 58.4466 30.5576 177.9313 144 G 3.8811 8.7254 106.7711 46.5924 0.0000 173.2561 145 Y 4.2649 7.4682 121.9034 57.7727 38.9886 175.7298 146 R 3.9303 8.0950 126.3829 53.8002 31.1339 175.9371 147 D 4.1830 8.0280 125.8246 57.7088 41.1580 178.4128 *148 R 4.1527 7.8468 119.7657 61.7151 29.2457 180.0370 149 Y 4.2346 7.2953 114.0212 60.7849 38.1277 177.2173 150 Y 4.8035 7.5476 114.5980 57.6828 39.4822 177.6806 151 S 4.2049 8.6330 115.4200 60.8395 63.0315 174.9829 152 N 4.8623 8.1085 115.1848 51.9496 37.3969 173.9762 153 L 4.6900 8.0265 120.9051 54.0144 44.2082 176.1566 154 D 5.1692 8.3108 123.0397 51.4983 43.1465 173.6136 155 I 4.1779 8.1376 109.3600 61.9304 38.5027 175.9333 156 A 4.0189 8.2245 126.1040 51.1810 18.9202 176.2718 157 P 4.2829 0.0000 0.0000 62.0680 32.4373 177.4544 158 A 3.9063 8.6397 122.3850 55.1802 18.1151 179.8259 159 A 3.4560 7.7746 118.7510 55.7211 18.1286 179.5413 160 D 4.6029 7.7656 115.1149 57.0749 41.1274 178.8657 161 G 3.6294 8.0352 106.0413 47.1944 0.0000 175.3001 162 Y 4.6977 7.2826 118.1263 61.3046 37.6333 178.7844 163 G 3.9373 8.1603 104.8100 46.5805 0.0000 173.9828 164 L 4.6292 7.8295 119.8985 54.3659 42.4225 178.0627 165 A 3.6441 8.1886 124.7550 54.2149 18.3408 179.7144 166 G 4.0971 8.3048 101.5670 46.5840 0.0000 173.9685 167 F 4.0298 7.7090 116.3468 55.9968 39.8928 174.0256 168 P 4.5538 0.0000 0.0000 62.1830 31.7211 175.8937 169 P 4.4672 0.0000 0.0000 65.4011 31.3280 176.9704 170 E 4.6765 8.0364 115.3025 56.1362 29.5987 175.3818 171 H 4.1638 8.6940 119.9280 55.6979 30.3884 176.2584 172 R 3.9825 7.6920 120.1233 57.3567 30.0224 178.2003 173 A 3.5615 6.7240 122.2039 54.3800 18.4194 179.2337 174 W 4.7423 7.2811 114.1798 58.6976 29.2346 177.6633 175 R 4.2914 7.4940 117.8189 56.7656 30.0607 175.2235 176 E 4.8692 7.8318 116.3214 54.3489 32.8295 174.9212 177 E 4.2878 8.5580 119.7623 56.0168 30.1003 175.4284 178 P 4.5340 0.0000 0.0000 62.5255 32.0987 177.4449 179 W 4.3391 7.4698 120.5754 59.8150 28.8107 177.6815 180 I 4.4581 8.2270 120.5388 63.8994 37.0427 177.2509 181 H 4.4789 8.0024 115.6522 57.6302 28.5468 175.6872 182 H 4.9260 8.4676 116.3948 55.1243 29.5279 173.5876 183 A 3.1938 7.6881 124.1216 50.7698 18.8530 176.8048 184 P 4.1977 0.0000 0.0000 61.2244 32.0724 174.0134 185 P 4.2554 0.0000 0.0000 64.7909 31.1161 176.1918 186 G 4.0137 8.9417 111.5039 45.4483 0.0000 173.3288 187 S 4.4121 7.5493 119.7894 58.8422 62.7850 173.8903 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 N 8.41 4.76 0.00 2.76 2.71 0.00 0.00 6.48 7.17 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 2 D 8.22 4.89 0.00 2.85 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 3 D 8.47 4.73 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 4 K 8.03 4.75 0.00 1.28 1.35 0.00 1.21 0.00 0.00 1.16 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.27 7.81 5 L 9.01 4.95 0.00 1.45 1.54 0.92 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 9.37 5.30 0.00 3.07 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 7 R 9.28 4.95 0.00 1.96 1.92 0.00 3.39 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 8 A 8.93 4.91 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 9 D 9.61 4.84 0.00 2.92 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.98 4.64 0.00 4.12 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 11 R 8.90 4.33 0.00 1.89 1.91 0.00 3.25 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 12 P 0.00 3.82 0.00 2.05 2.15 0.00 3.91 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 13 P 0.00 3.78 0.00 1.49 0.49 0.00 2.83 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.44 0.00 14 D 7.67 4.32 0.00 2.65 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 15 E 7.87 3.89 0.00 1.97 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 2.32 2.35 0.00 16 I 7.56 3.63 1.77 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.39 0.79 0.00 0.00 17 K 8.37 3.04 0.00 1.51 1.66 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.32 7.81 18 Q 7.51 3.95 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 19 S 7.69 4.49 0.00 4.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.08 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 21 G 6.89 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 0.00 0.00 0.00 0.00 22 L 8.15 4.14 0.00 1.69 1.59 0.80 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 23 M 8.04 4.64 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.64 0.00 24 P 0.00 4.63 0.00 2.43 2.31 0.00 3.45 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 2.02 2.04 0.00 25 R 8.63 4.07 0.00 1.92 2.12 0.00 3.39 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 26 G 8.95 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.93 3.90 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 28 S 8.12 4.43 0.00 4.16 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 0.00 29 E 7.87 4.00 0.00 2.42 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 30 Y 8.01 4.11 0.00 3.11 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 31 F 7.95 4.40 0.00 3.18 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 32 D 7.64 4.66 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 33 R 8.34 4.47 0.00 2.10 1.93 0.00 3.29 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 34 G 7.59 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.51 4.01 4.26 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 1.24 0.00 0.00 36 Q 8.60 4.36 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.00 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 37 M 8.41 4.26 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 38 N 9.25 4.68 0.00 2.90 2.77 0.00 0.00 7.07 8.40 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 39 I 8.13 4.17 1.75 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 0.76 0.00 0.00 40 N 8.64 4.73 0.00 3.12 3.03 0.00 0.00 6.66 6.35 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 41 L 8.94 3.40 0.00 1.53 1.43 0.05 0.47 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 42 Y 8.45 4.00 0.00 2.50 2.90 0.00 0.00 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1.85 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 1.28 1.03 0.92 0.00 0.00 120 P 0.00 4.89 0.00 2.36 2.14 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 121 Y 8.68 4.23 0.00 3.07 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 0.00 122 S 8.23 4.68 0.00 3.92 4.18 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 0.00 123 Q 8.02 4.07 0.00 1.64 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.96 0.00 0.00 0.00 0.00 0.00 2.02 1.16 0.00 124 I 7.32 4.49 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.82 1.33 0.00 0.00 125 Y 9.11 2.80 0.00 2.45 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 0.00 126 G 7.48 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 0.00 0.00 0.00 127 W 6.93 5.63 0.00 3.16 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 0.00 128 Y 8.98 4.91 0.00 2.99 2.84 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 0.00 129 R 8.60 4.40 0.00 1.83 1.89 0.00 3.09 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.57 0.00 130 V 7.95 4.16 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.45 0.00 0.00 131 H 8.56 4.84 0.00 3.01 2.99 0.00 5.81 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 0.00 132 F 9.15 4.16 0.00 3.12 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 0.00 133 G 8.47 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 0.00 134 V 7.58 4.03 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 0.95 0.00 0.00 1.03 0.00 0.00 135 L 8.21 5.06 0.00 1.58 1.46 0.77 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 136 D 7.94 4.80 0.00 2.80 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 0.00 137 E 7.77 4.52 0.00 2.02 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 2.28 2.33 0.00 138 Q 8.40 4.45 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 139 L 8.27 3.61 0.00 1.08 1.39 0.16 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.28 4.48 0.00 3.24 2.64 0.00 5.83 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.88 3.72 0.00 1.38 1.39 0.00 2.91 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.33 0.00 142 N 8.07 4.35 0.00 2.35 2.59 0.00 0.00 7.03 8.28 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 0.00 143 R 8.87 4.02 0.00 1.89 1.99 0.00 3.38 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 144 G 8.73 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 7.47 4.26 0.00 2.85 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 0.00 146 R 8.09 3.93 0.00 0.67 0.66 0.00 2.89 0.00 0.00 2.74 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.00 147 D 8.03 4.18 0.00 2.91 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 *148 R 7.85 4.15 0.00 1.95 1.86 0.00 3.32 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.31 0.00 149 Y 7.30 4.23 0.00 1.94 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 0.00 0.00 0.00 150 Y 7.55 4.80 0.00 3.04 3.17 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 0.00 151 S 8.63 4.20 0.00 3.97 4.48 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 0.00 152 N 8.11 4.86 0.00 2.84 2.94 0.00 0.00 5.81 7.79 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 0.00 153 L 8.03 4.69 0.00 1.75 1.64 1.02 0.78 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 0.00 154 D 8.31 5.17 0.00 2.43 2.44 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 0.00 155 I 8.14 4.18 1.94 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 1.24 0.94 0.88 0.00 0.00 156 A 8.22 4.02 0.62 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 0.00 0.00 157 P 0.00 4.28 0.00 2.14 1.95 0.00 3.56 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 2.08 2.05 0.00 158 A 8.64 3.91 1.24 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 0.00 159 A 7.77 3.46 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 0.00 160 D 7.77 4.60 0.00 2.91 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 0.00 161 G 8.04 3.63 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 0.00 162 Y 7.28 4.70 0.00 2.88 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.16 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 0.00 0.00 0.00 164 L 7.83 4.63 0.00 1.58 1.63 0.73 1.07 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 0.00 165 A 8.19 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 G 8.30 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 F 7.71 4.03 0.00 2.21 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 0.00 0.00 0.00 168 P 0.00 4.55 0.00 2.28 2.09 0.00 3.59 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 2.29 2.32 0.00 169 P 0.00 4.47 0.00 2.06 2.13 0.00 3.72 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 2.07 2.16 0.00 170 E 8.04 4.68 0.00 1.95 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 2.23 2.28 0.00 171 H 8.69 4.16 0.00 3.12 2.62 0.00 5.78 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 0.00 172 R 7.69 3.98 0.00 1.99 1.97 0.00 3.13 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.19 0.00 173 A 6.72 3.56 -1.13 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 0.00 0.00 0.00 0.00 0.00 174 W 7.28 4.74 0.00 3.38 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 0.00 175 R 7.49 4.29 0.00 1.80 1.95 0.00 3.26 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 176 E 7.83 4.87 0.00 2.32 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 2.28 2.36 0.00 177 E 8.56 4.29 0.00 1.89 1.76 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 2.31 2.23 0.00 178 P 0.00 4.53 0.00 1.56 1.83 0.00 2.20 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.82 0.00 179 W 7.47 4.34 0.00 3.66 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 0.00 180 I 8.23 4.46 2.07 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 1.54 2.56 0.75 0.00 0.00 181 H 8.00 4.48 0.00 3.23 3.27 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 H 8.47 4.93 0.00 3.48 3.48 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 7.69 3.19 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 1.97 1.90 0.00 2.20 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.35 0.00 185 P 0.00 4.26 0.00 2.14 2.08 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 186 G 8.94 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 0.00 0.00 0.00 187 S 7.55 4.41 0.00 3.76 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 * Residues marked with a * may have inaccurate shift predictions.