NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 Y 5.4733 8.2281 118.2708 57.2664 39.4207 173.3544 20 S 4.9145 8.5249 115.1125 55.4066 67.5990 173.0450 21 D 4.5083 8.8308 121.3285 57.8491 40.8158 180.3828 22 E 3.9788 8.2305 117.3060 59.5871 29.6087 178.7728 23 D 4.3736 8.1634 119.4713 56.9296 40.6266 178.5560 24 L 3.7798 7.4435 119.8008 58.0622 42.3344 178.8080 25 V 3.6971 7.9111 118.1278 65.7434 31.2261 178.3230 26 A 4.1700 7.9232 117.1303 52.8456 18.0784 178.9995 *28 L 4.1807 7.8543 122.1694 56.4107 43.6500 179.1870 29 D 4.4004 8.7117 117.6076 56.9439 40.7397 177.5417 30 R 4.4794 7.6958 112.6758 56.0761 30.1210 175.6851 31 N 5.1536 7.8810 115.7831 51.7524 41.1759 174.2372 32 F 5.1741 8.0439 113.4075 56.4947 39.0023 174.3878 33 T 4.9647 7.2405 110.2688 60.6853 72.2078 172.1677 34 C 4.6749 8.3178 115.5211 57.8001 33.6241 172.1844 35 T 4.9327 8.7397 116.1105 61.7964 70.7204 173.8627 36 V 4.7619 8.7946 126.3477 61.3390 33.8458 174.3405 37 S 5.6816 9.6416 124.4165 56.1927 65.9592 173.2110 38 F 5.2055 7.8802 116.7614 56.2649 41.3300 172.3457 39 I 4.9764 8.2048 119.1463 59.7166 39.1224 175.5453 40 D 4.5504 9.3466 126.6051 53.7633 43.6566 175.1986 41 G 4.2199 9.7140 116.3829 46.8118 0.0000 174.0505 42 G 3.9583 8.6556 105.5587 45.1545 0.0000 173.9091 43 I 4.7315 7.4866 112.6953 58.0145 41.0451 172.8253 44 P 4.9360 0.0000 0.0000 62.6250 32.4975 174.8018 45 Y 4.5218 8.3955 120.0457 55.9907 41.6401 174.5765 46 A 5.1191 8.3270 122.4361 50.3690 21.9702 175.5399 47 I 4.8302 8.9878 116.4431 58.3369 41.1066 173.6084 48 P 5.2102 0.0000 0.0000 62.2278 32.5969 175.9504 *51 L 4.1563 8.3462 121.8569 55.0706 42.4059 175.5164 52 A 4.5807 8.4057 126.9247 51.5390 19.9535 176.3772 53 S 4.9399 8.4333 113.6487 57.6799 66.0782 173.8581 54 E 4.4859 9.0242 122.1183 55.8600 32.9133 174.4782 55 G 3.7609 8.4089 116.2977 47.2535 0.0000 174.9312 56 K 4.1402 8.6273 122.8470 57.1172 32.7622 176.5330 57 T 4.3196 7.6576 117.3666 62.8969 69.9459 173.7082 58 I 4.7565 8.2267 126.6641 59.6337 39.7090 174.0936 59 Y 5.2236 8.8349 124.0000 56.2415 40.7272 174.6673 60 L 5.0763 9.1898 124.5563 53.3412 44.7533 175.2157 61 H 5.3170 8.2309 116.3181 52.7822 32.2803 173.0874 62 G 3.5084 6.0192 103.7986 46.0352 0.0000 171.2628 63 S 4.4501 7.5435 116.7569 58.0134 63.3922 175.8666 *65 K 4.3179 8.4850 117.9757 56.0718 34.0186 175.7798 66 S 4.7003 8.1564 118.5241 57.8908 64.6020 176.0086 67 R 3.9539 8.6795 124.6014 61.8709 28.9731 179.9061 68 I 3.5625 7.8017 118.8536 63.7406 37.7933 176.9847 69 Y 3.7139 7.9247 120.1950 60.6906 38.3927 178.4890 70 G 3.4273 7.9377 104.3928 47.6795 0.0000 175.1075 71 I 3.5878 7.2329 121.5707 64.2028 37.0931 178.6126 72 L 3.3927 7.4528 119.9663 57.2578 40.9240 179.5287 73 K 3.9964 7.5036 119.4164 59.3645 32.0617 178.5365 74 T 3.9293 7.1602 109.7259 62.7719 68.4708 175.4237 75 G 3.8884 7.6352 107.9938 45.2076 0.0000 173.3689 76 Q 4.2179 7.3528 117.4814 55.4795 29.4469 176.1102 77 L 4.4368 8.5374 123.0543 55.5352 42.7403 176.0560 78 I 4.9512 8.9977 119.0425 59.0734 41.4370 173.9190 79 A 4.8299 8.9664 125.4483 50.3094 21.2967 175.4892 80 I 4.8535 8.8986 124.7912 59.5671 39.5069 175.1750 81 S 5.2451 9.4081 121.7390 56.4462 66.4785 173.0278 82 L 4.9887 8.6090 120.1471 53.0009 45.7805 175.4258 83 L 5.0501 8.2741 123.4296 53.5612 45.3422 174.8997 84 E 4.5971 9.6586 125.6774 54.5801 32.7904 174.7247 85 I 4.8118 8.5057 125.3743 59.9964 38.4339 175.0892 86 N 4.9845 9.0960 124.0370 53.1389 41.6003 174.6607 87 G 4.2836 7.6975 102.8925 45.6244 0.0000 172.4223 88 I 4.6435 8.2827 123.9260 59.8322 39.0422 175.1428 89 V 4.2900 8.7421 128.6938 61.7768 32.5981 175.0522 90 L 4.9633 8.7650 130.1750 53.3318 42.2111 176.6952 91 A 4.6927 8.6749 127.2517 50.6484 19.8889 177.6595 92 K 4.0908 9.3834 119.7828 58.8372 32.3974 177.9799 93 E 4.5754 7.8990 118.5266 54.4627 31.2582 176.5562 94 I 3.6978 8.6755 125.0092 64.5086 37.3122 178.2847 95 K 4.0917 7.9857 117.3246 59.1756 32.6376 177.1458 96 N 4.7214 8.0927 115.7463 53.2378 38.8333 174.9935 97 N 4.7299 7.6744 116.0736 54.1098 39.5977 174.2257 98 S 4.5921 8.7837 114.9552 57.9701 66.6544 172.4696 99 I 5.0453 8.1578 120.1398 59.5731 40.0985 175.3327 100 N 4.9987 9.1603 125.3429 53.3241 39.8933 173.9140 101 Y 5.2419 8.3849 119.9728 56.4727 42.2180 173.2182 102 V 4.7776 9.1111 119.8646 61.1709 35.0167 174.2873 103 S 5.3094 9.0907 120.8904 56.8466 66.5380 173.0617 104 A 4.8689 8.9978 121.9764 50.2471 23.1119 174.7885 105 L 4.9573 8.9380 122.5695 53.2819 45.1647 175.1631 106 I 5.0115 8.6503 127.5780 59.5740 40.1592 174.5761 107 F 5.2152 9.0177 126.2713 56.3998 41.0340 175.2889 108 G 4.3413 8.6898 108.4695 45.9380 0.0000 172.1734 109 R 5.0554 8.5280 119.1308 53.3098 31.9281 174.5960 110 P 4.8461 0.0000 0.0000 63.0153 32.4376 175.3842 111 Y 5.1666 8.5834 119.0581 55.2783 41.6208 174.0395 112 E 3.9330 9.1524 122.8658 56.1182 30.8012 175.5978 113 I 4.4043 8.4720 127.6129 60.2434 37.7569 175.3105 114 D 4.5942 8.7587 126.5225 54.9929 42.5767 176.4767 115 D 4.3573 7.9849 118.1957 54.6469 41.8613 176.5190 116 T 3.9206 8.5487 125.2440 66.6776 68.5228 176.1256 117 E 4.0228 8.5231 121.4089 59.1155 29.6749 179.0198 118 K 4.0125 8.1924 118.2347 58.9519 32.1938 179.1738 119 K 3.9060 8.1808 119.0077 59.6630 31.9979 179.0820 120 I 3.9016 7.8751 119.8356 64.7034 37.0013 178.0973 121 E 3.7373 8.1537 119.8300 59.1421 29.3843 179.0687 122 V 3.2102 7.5014 118.3792 65.7081 31.5079 178.0943 123 F 3.9276 8.3096 117.6703 60.1765 38.6863 177.6640 124 R 2.5100 7.4624 118.5139 58.7322 29.8006 178.4268 125 L 3.8101 7.6939 119.0326 57.6608 41.5711 179.4192 126 L 3.9150 7.7580 120.0137 58.5223 42.0463 179.1369 127 T 3.9305 7.9194 115.6740 66.8111 68.1997 176.5869 128 E 3.9864 8.0638 119.3243 58.9908 29.4604 179.2283 129 K 4.1733 7.7376 117.9519 59.1924 32.1461 179.1813 130 L 4.2505 7.6651 118.3760 56.3548 42.2431 178.3824 131 V 4.1418 7.9499 124.2524 61.2523 32.5376 172.7418 132 K 4.0918 8.5022 128.4467 58.1157 31.3600 177.0113 133 G 3.6842 9.4621 115.3662 45.1398 0.0000 175.3405 134 R 3.6448 7.7458 120.2996 58.7463 30.4777 178.1036 135 W 4.2655 8.3536 126.5872 60.6259 30.6545 176.7497 136 D 4.3854 7.5711 113.6390 56.4146 40.3153 176.5873 137 N 4.8794 7.7449 116.6349 52.8250 38.9958 173.5263 138 S 4.6348 7.4053 109.5505 55.8005 66.3674 172.9512 139 I 3.8870 7.9721 121.4328 60.3573 37.1145 176.4123 140 K 3.8603 7.9535 125.2703 54.3479 33.0216 175.1013 141 P 4.3812 0.0000 0.0000 62.6759 32.2476 176.8349 142 S 4.5946 8.3415 116.1949 57.2775 65.7644 175.0219 143 Y 4.2073 8.3390 121.2358 60.4096 37.6867 178.0424 144 E 4.0247 7.3943 119.8492 59.3548 29.3425 178.8632 145 D 4.2918 7.8782 118.0078 56.7423 41.2667 177.8294 146 L 4.4438 7.5261 116.9264 53.4814 41.7892 175.8576 147 N 4.5061 7.1908 119.5333 55.0800 38.9831 175.0537 148 G 3.8538 9.0712 114.1515 45.0039 0.0000 172.3775 149 V 4.4309 7.2595 119.9617 61.1981 32.6190 175.5050 150 F 4.8061 8.7394 123.7796 56.2337 40.2939 174.8099 151 V 5.0732 8.2635 119.0692 61.3885 34.9019 173.8361 152 F 5.2302 9.7416 126.2092 55.5835 42.3274 174.1679 153 A 4.5821 8.2898 125.1176 50.9406 20.5895 176.4429 154 V 4.5250 8.7395 121.5711 61.1475 34.2862 174.5075 155 K 4.7656 8.6898 127.3299 54.1439 34.0109 175.0751 156 P 4.5877 0.0000 0.0000 62.6915 31.7930 176.0851 157 E 4.3553 9.5701 126.3274 59.2249 29.9880 176.7205 158 T 5.0564 7.9893 107.6555 60.7026 72.4768 172.0628 159 F 5.6077 8.3164 116.2055 56.3634 41.1998 173.4855 160 S 4.9187 8.6764 112.6953 56.7142 66.3596 172.7878 *162 K 4.4090 8.5720 116.7979 57.2738 33.5963 174.7693 163 A 4.1114 7.7730 120.8408 50.8936 22.1290 175.6878 164 R 4.5940 7.8397 119.7641 54.8760 33.5676 174.1835 165 T 4.7316 8.3928 118.4783 61.4462 71.0920 173.3659 166 G 3.8396 8.8000 111.7010 43.7241 0.0000 170.9506 167 P 4.4723 0.0000 0.0000 60.9504 32.1506 174.1000 168 P 4.1926 0.0000 0.0000 63.1323 31.5872 175.9829 169 H 4.7144 8.3361 116.8414 54.5636 28.5297 174.2300 170 D 4.8850 8.3307 124.4132 53.2286 42.2438 176.8247 171 T 4.6453 8.2529 111.3606 60.8818 69.2454 173.4364 172 S 4.6029 7.7064 114.2345 58.6332 65.5396 173.8433 173 T 4.3461 8.1980 116.1010 63.5252 69.0993 175.3186 174 D 4.4774 7.9301 121.2521 54.8779 41.4330 176.8457 175 D 4.6849 8.3204 122.2884 53.0130 39.6291 174.2581 176 I 4.6623 7.3766 120.7877 58.2224 40.9201 175.4032 177 W 4.2617 8.9664 135.0000 57.4226 31.2454 174.9683 178 S 4.4162 8.0728 118.6174 55.8583 66.1270 173.6225 179 G 3.4687 6.8659 106.5815 46.4690 0.0000 170.5205 180 V 4.9733 8.0078 119.3595 61.0475 33.8192 175.5993 181 L 4.5830 9.0310 128.8300 52.9367 42.2830 174.3353 182 P 4.8059 0.0000 0.0000 62.4350 32.3461 176.1479 183 I 4.4381 8.4694 124.7583 59.7958 38.8117 175.0217 184 Q 4.6374 8.6664 126.0257 54.4067 31.2047 174.7415 185 H 5.0058 8.6618 119.7049 54.3471 31.4306 172.9379 186 T 5.0808 8.4015 117.2185 60.1434 70.8603 173.0069 187 I 4.2009 8.5257 128.9705 61.1591 38.3208 175.9660 188 S 4.9155 8.4692 121.8803 55.9679 65.7716 173.1086 189 E 2.5400 8.3472 119.7832 56.5087 29.1654 176.4267 190 A 4.4582 7.4707 126.6614 51.1140 19.8736 174.0866 191 G 3.5678 7.9288 106.4093 44.8881 0.0000 176.2142 192 E 4.2165 8.7988 121.8086 58.0568 30.0696 174.1071 193 N 4.8871 7.9819 112.3377 53.4406 38.9948 174.7388 194 A 4.2079 7.5321 121.7454 50.7680 19.2650 177.1072 195 P 4.2936 0.0000 0.0000 62.7943 33.1771 177.5168 196 E 3.8389 8.4955 118.7016 59.4953 29.2012 179.1292 197 Y 4.1548 7.6925 116.5326 59.4316 38.3158 178.0732 198 V 3.6867 6.6859 119.9431 65.6640 31.9249 177.9700 199 K 2.4800 7.6220 118.3014 58.5594 31.5474 179.0727 200 S 4.2047 7.7563 113.1198 60.1634 63.2546 175.4877 201 L 4.3379 7.5854 122.3176 54.9066 41.7927 176.1367 202 Y 4.5714 6.9826 117.8018 59.4311 38.0922 176.9657 203 G 3.9684 9.1283 112.9952 45.2199 0.0000 173.3784 204 K 4.2095 8.0318 122.7279 56.1340 33.3334 176.1519 205 R 4.8397 8.6374 127.0319 56.0657 30.8287 175.6431 206 I 4.3504 8.4709 116.8496 58.7892 41.0086 174.7098 207 F 4.1751 8.6343 116.8003 58.5224 36.1281 175.4961 208 I 4.2327 7.7659 125.6135 61.3394 38.1157 174.4595 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 19 Y 8.23 5.47 0.00 3.40 3.27 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 0.00 20 S 8.52 4.91 0.00 4.17 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 21 D 8.83 4.51 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 22 E 8.23 3.98 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.97 0.00 23 D 8.16 4.37 0.00 3.06 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 24 L 7.44 3.78 0.00 1.00 1.49 0.57 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.91 3.70 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 0.94 0.00 0.00 0.93 0.00 0.00 26 A 7.92 4.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *28 L 7.85 4.18 0.00 1.87 1.73 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.71 4.40 0.00 2.85 2.76 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 30 R 7.70 4.48 0.00 1.96 2.09 0.00 3.08 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 31 N 7.88 5.15 0.00 2.67 2.57 0.00 0.00 6.70 7.06 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 32 F 8.04 5.17 0.00 3.06 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 33 T 7.24 4.96 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 34 C 8.32 4.67 0.00 3.06 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 35 T 8.74 4.93 4.20 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 0.00 0.00 1.19 0.00 0.00 36 V 8.79 4.76 2.19 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 1.18 0.00 0.00 0.96 0.00 0.00 37 S 9.64 5.68 0.00 3.72 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 0.00 38 F 7.88 5.21 0.00 3.32 3.12 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 0.00 39 I 8.20 4.98 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.97 0.00 0.00 40 D 9.35 4.55 0.00 2.98 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.71 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 42 G 8.66 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.49 4.73 1.67 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.98 0.86 0.00 0.00 44 P 0.00 4.94 0.00 1.97 2.02 0.00 3.54 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 1.82 1.91 0.00 45 Y 8.40 4.52 0.00 1.60 2.45 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 46 A 8.33 5.12 1.11 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 0.00 0.00 47 I 8.99 4.83 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.04 1.08 0.00 0.00 48 P 0.00 5.21 0.00 2.12 2.10 0.00 3.45 0.00 0.00 5.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 *51 L 8.35 4.16 0.00 1.70 1.76 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.41 4.58 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.43 4.94 0.00 3.98 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 54 E 9.02 4.49 0.00 2.10 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 2.24 2.28 0.00 55 G 8.41 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 0.00 0.00 0.00 56 K 8.63 4.14 0.00 1.72 1.79 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.40 7.81 57 T 7.66 4.32 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 0.72 0.00 0.00 58 I 8.23 4.76 1.85 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 1.14 0.62 0.86 0.00 0.00 59 Y 8.83 5.22 0.00 2.82 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 60 L 9.19 5.08 0.00 1.84 1.76 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.23 5.32 0.00 2.99 3.00 0.00 5.24 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 6.02 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 63 S 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0.00 0.00 1.27 0.73 0.86 0.00 0.00 81 S 9.41 5.25 0.00 3.80 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 82 L 8.61 4.99 0.00 1.54 1.43 0.84 0.19 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 83 L 8.27 5.05 0.00 1.51 1.39 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 84 E 9.66 4.60 0.00 1.97 1.82 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 2.10 2.11 0.00 85 I 8.51 4.81 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 1.33 0.83 0.96 0.00 0.00 86 N 9.10 4.98 0.00 2.75 2.85 0.00 0.00 6.30 7.83 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 87 G 7.70 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 0.00 0.00 0.00 0.00 88 I 8.28 4.64 1.92 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 0.75 0.96 0.00 0.00 89 V 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.15 0.00 0.00 123 F 8.31 3.93 0.00 3.42 3.29 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 0.00 124 R 7.46 2.51 0.00 0.67 1.37 0.00 2.74 0.00 0.00 2.76 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 125 L 7.69 3.81 0.00 1.72 1.64 0.80 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.76 3.92 0.00 1.64 1.69 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.92 3.93 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 1.42 0.00 0.00 128 E 8.06 3.99 0.00 1.92 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 2.29 2.33 0.00 129 K 7.74 4.17 0.00 2.00 1.96 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.71 7.81 130 L 7.67 4.25 0.00 1.73 1.56 0.87 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 131 V 7.95 4.14 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 1.08 0.00 0.00 0.95 0.00 0.00 132 K 8.50 4.09 0.00 2.01 1.74 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.02 7.81 133 G 9.46 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 7.75 3.64 0.00 2.02 2.08 0.00 3.29 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 135 W 8.35 4.27 0.00 3.30 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 0.00 136 D 7.57 4.39 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 N 7.74 4.88 0.00 2.68 2.73 0.00 0.00 6.94 7.75 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 0.00 138 S 7.41 4.63 0.00 3.87 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 0.00 139 I 7.97 3.89 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.47 0.79 0.00 0.00 140 K 7.95 3.86 0.00 1.34 1.15 0.00 1.30 0.00 0.00 0.99 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.69 7.81 141 P 0.00 4.38 0.00 1.93 1.72 0.00 3.59 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.56 0.00 142 S 8.34 4.59 0.00 3.97 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 0.00 143 Y 8.34 4.21 0.00 3.01 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 0.00 144 E 7.39 4.02 0.00 1.79 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 2.18 2.14 0.00 145 D 7.88 4.29 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.53 4.44 0.00 1.72 1.70 0.89 0.23 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 0.00 147 N 7.19 4.51 0.00 2.69 2.84 0.00 0.00 7.28 7.82 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 0.00 148 G 9.07 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 7.26 4.43 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 0.92 0.00 0.00 0.95 0.00 0.00 150 F 8.74 4.81 0.00 3.20 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 0.00 151 V 8.26 5.07 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 0.85 0.00 0.00 0.94 0.00 0.00 152 F 9.74 5.23 0.00 3.04 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 0.00 153 A 8.29 4.58 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 0.00 154 V 8.74 4.52 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 0.97 0.00 0.00 0.89 0.00 0.00 155 K 8.69 4.77 0.00 1.77 1.76 0.00 2.04 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.49 7.81 156 P 0.00 4.59 0.00 2.19 2.12 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 157 E 9.57 4.36 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 158 T 7.99 5.06 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 159 F 8.32 5.61 0.00 3.11 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 0.00 160 S 8.68 4.92 0.00 3.95 4.07 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 *162 K 8.57 4.41 0.00 1.85 1.85 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.51 7.81 163 A 7.77 4.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.84 4.59 0.00 1.95 1.95 0.00 3.16 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 165 T 8.39 4.73 4.20 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 0.00 0.00 1.20 0.00 0.00 166 G 8.80 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 0.00 167 P 0.00 4.47 0.00 2.10 2.01 0.00 3.75 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 1.93 1.91 0.00 168 P 0.00 4.19 0.00 2.11 2.02 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.08 0.00 169 H 8.34 4.71 0.00 3.15 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 D 8.33 4.89 0.00 2.62 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 0.00 171 T 8.25 4.65 4.24 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 1.27 0.00 0.00 172 S 7.71 4.60 0.00 4.11 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 0.00 173 T 8.20 4.35 4.24 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 1.21 0.00 0.00 174 D 7.93 4.48 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.32 4.68 0.00 2.92 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 I 7.38 4.66 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 0.99 0.00 0.00 177 W 8.97 4.26 0.00 3.23 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 0.00 178 S 8.07 4.42 0.00 3.77 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 0.00 179 G 6.87 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 4.97 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 0.93 0.00 0.00 0.95 0.00 0.00 181 L 9.03 4.58 0.00 1.73 1.66 1.20 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 182 P 0.00 4.81 0.00 1.96 2.00 0.00 3.67 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 2.06 2.16 0.00 183 I 8.47 4.44 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.61 0.88 0.00 0.00 184 Q 8.67 4.64 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 185 H 8.66 5.01 0.00 3.27 3.28 0.00 5.56 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 0.00 186 T 8.40 5.08 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 1.22 0.00 0.00 187 I 8.53 4.20 2.09 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 1.31 0.54 1.03 0.00 0.00 188 S 8.47 4.92 0.00 3.76 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 0.00 189 E 8.35 2.54 0.00 1.61 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 190 A 7.47 4.46 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 0.00 191 G 7.93 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 0.00 192 E 8.80 4.22 0.00 2.00 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 2.23 1.90 0.00 193 N 7.98 4.89 0.00 2.68 2.82 0.00 0.00 6.90 7.35 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 0.00 194 A 7.53 4.21 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 0.00 195 P 0.00 4.29 0.00 1.20 1.93 0.00 3.48 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.79 0.00 196 E 8.50 3.84 0.00 1.98 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 2.34 2.28 0.00 197 Y 7.69 4.15 0.00 3.22 3.10 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 0.00 198 V 6.69 3.69 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 1.04 0.00 0.00 0.70 0.00 0.00 199 K 7.62 2.48 0.00 1.54 1.46 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.16 1.53 7.81 200 S 7.76 4.20 0.00 3.98 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 0.00 201 L 7.59 4.34 0.00 1.86 1.77 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 202 Y 6.98 4.57 0.00 2.95 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 0.00 203 G 9.13 3.97 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 0.00 0.00 0.00 204 K 8.03 4.21 0.00 1.91 1.82 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 205 R 8.64 4.84 0.00 1.75 1.86 0.00 3.21 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 206 I 8.47 4.35 1.33 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.19 0.80 0.00 0.00 207 F 8.63 4.18 0.00 3.22 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 0.00 208 I 7.77 4.23 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.79 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.