NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 5.0771 8.5004 122.2564 52.1949 19.7189 175.7378 3 A 4.4479 8.1006 122.6033 50.5879 22.9591 172.7404 4 L 5.1491 8.6871 119.8313 52.8099 45.3176 174.3252 5 L 4.7344 8.8850 124.5317 53.3800 44.7907 175.3749 6 E 4.9606 8.9888 125.9715 56.4116 30.9108 176.0024 7 S 4.5962 9.6138 116.3339 58.2221 65.9476 174.5634 8 G 4.1953 9.3898 112.2899 45.6954 0.0000 174.3264 9 G 3.6988 7.5851 108.2388 45.3418 0.0000 172.4526 10 G 3.9773 7.3711 105.2686 44.0145 0.0000 171.8722 11 L 4.6993 7.8464 120.0904 54.7836 42.6278 177.1909 12 V 4.5953 8.4156 121.3060 61.5138 35.4615 173.3745 13 K 5.0128 8.5410 125.8665 54.5025 34.6525 174.3102 14 P 4.4556 0.0000 0.0000 64.7284 31.6880 176.7072 15 G 3.9787 9.5203 111.7117 45.3953 0.0000 173.8361 16 G 4.0687 8.0186 107.4303 45.9290 0.0000 172.4621 17 S 5.2322 8.3376 112.9472 56.5639 66.1784 173.2750 18 L 4.6313 8.8780 122.3754 53.4442 46.0449 174.6498 19 K 4.7460 8.4140 124.8552 54.7065 34.4393 175.1503 20 L 4.8725 8.5628 128.5299 53.6259 43.7397 176.0647 21 S 5.5148 9.4068 116.2111 56.9433 67.1343 172.1484 22 C 5.5034 9.1293 120.8548 55.5028 47.4783 172.9385 23 T 5.1963 8.8098 115.6435 60.1508 71.8019 172.7290 24 A 5.0889 8.0262 122.2610 50.6376 22.9774 175.3330 25 S 4.3051 8.9267 113.8272 57.8790 64.8042 175.0524 26 G 3.8742 9.5082 115.4822 45.1399 0.0000 172.5501 27 I 4.4424 7.0295 119.2626 59.6523 40.1752 175.4048 28 T 4.2854 8.5630 122.3435 61.5185 67.9502 173.9547 29 F 4.8097 8.6564 126.4658 60.8099 39.2395 177.9848 30 S 4.2370 8.2904 114.0815 61.2993 63.0443 175.7024 *32 R 4.3004 7.7717 118.4230 56.2400 32.3334 174.5604 *34 Y 5.3179 7.5757 114.7948 57.8639 39.6970 174.5356 35 I 4.3799 8.4605 120.9187 61.3272 37.3614 175.9070 36 M 4.5309 8.9466 127.7559 54.3819 34.0454 175.8213 37 S 5.4218 8.9285 116.8138 56.8676 68.4247 172.8288 38 W 5.4537 9.4864 120.8105 55.3226 32.4844 175.3313 39 V 5.2773 9.3154 116.2748 59.8318 36.1521 174.4591 40 R 4.8994 9.4191 118.3795 54.5039 33.4193 174.0152 41 Q 4.7515 8.6593 122.7838 54.5252 30.5663 175.0097 42 I 4.2628 8.2946 127.8163 60.0861 38.2048 175.5542 43 P 3.8886 0.0000 0.0000 66.0120 31.3108 177.6394 44 E 3.9650 8.0420 116.1503 58.0286 29.3855 178.0142 45 K 4.1220 9.0871 117.9388 55.8128 30.7496 176.0690 46 R 4.3897 7.4242 118.9868 54.6917 31.1560 175.6264 47 L 4.3936 8.2909 125.0062 54.8236 42.6815 175.9067 48 E 4.7561 9.1738 123.9461 53.8735 32.7523 174.6326 49 W 4.7257 9.1275 135.0000 57.9413 31.0811 174.9466 50 V 4.1950 8.2203 125.9735 63.9541 32.8694 175.3401 51 A 4.3386 7.3695 118.1786 51.5677 22.3132 175.1600 52 S 5.3771 8.6339 114.2861 57.2234 68.2051 173.2004 53 I 5.2295 8.8576 122.8296 59.3775 41.3629 175.5944 54 S 5.0110 9.1141 124.5102 57.2385 64.2431 175.2038 55 S 4.2243 8.5902 114.6499 61.0591 62.8074 175.6328 56 G 3.6436 8.0486 108.3056 46.5798 0.0000 174.3347 57 G 3.9753 8.1715 108.3264 44.9560 0.0000 173.4106 58 I 4.0874 7.7363 121.8231 61.1304 37.9828 175.4864 59 T 4.9818 8.3038 117.3050 60.8943 70.9680 173.7054 60 Y 4.8785 8.5134 119.7704 56.9275 42.5384 173.9325 61 Y 4.6809 8.5152 118.6296 56.1140 42.3426 172.9753 62 P 4.7616 0.0000 0.0000 61.7083 33.1150 176.5361 63 D 4.3783 8.9159 119.5024 57.7575 40.7451 179.4184 64 S 4.1467 8.0555 111.5747 60.6787 62.8690 175.0660 65 V 3.8154 7.7322 110.9799 61.2611 34.1543 178.2518 66 A 3.6034 7.1364 123.8258 54.5718 18.5692 178.7608 67 G 3.9597 7.7291 100.4947 45.2933 0.0000 173.4481 68 R 4.4593 8.1331 120.3364 56.1272 32.5402 176.0657 69 F 5.6506 7.8600 116.0644 55.9699 41.7212 175.4792 70 T 4.7311 9.0349 118.7179 61.8919 71.9185 172.5764 71 I 5.1760 9.6116 127.8770 59.6974 39.6728 174.7574 72 S 4.9549 9.1981 122.4745 57.0783 66.9534 172.6004 73 R 5.0785 8.6725 119.9593 54.7936 33.3531 174.4334 74 D 4.9234 9.0335 125.7408 52.5127 41.4409 176.3725 75 N 4.4384 8.8660 123.4970 55.7182 39.0899 177.3623 76 V 3.7578 7.9785 117.3250 65.9144 31.7922 177.2142 77 R 4.0197 8.1691 116.1082 56.2703 30.8190 175.6555 78 N 4.2057 8.1766 115.8130 54.6750 37.2028 173.4382 79 I 4.9425 7.2251 119.4906 59.4929 41.9498 175.7885 80 L 4.8183 9.0555 128.4846 53.7405 44.2087 174.7063 81 Y 5.6809 9.4251 122.6239 56.3876 42.3538 174.7808 82 L 4.6253 8.7656 123.5176 53.4144 44.8423 174.5392 83 Q 4.4910 9.0800 129.3089 55.3587 30.4466 174.0503 84 M 4.6479 9.2374 127.5710 53.5920 34.4003 175.3873 85 S 4.8304 8.7179 118.3641 56.3794 67.2875 173.6775 86 S 3.8246 8.5654 114.5288 59.5755 60.2694 173.5338 87 L 4.3487 8.1201 119.9939 55.0727 42.5779 177.4285 88 R 4.9877 9.3148 122.2111 53.8876 33.0562 177.2617 89 S 4.6166 8.9509 114.5901 60.7043 62.8695 176.1306 90 E 4.1962 8.1249 116.9728 58.0953 29.5601 176.9008 91 D 4.7789 8.3188 119.0537 55.0650 41.3019 176.4965 92 T 4.3615 7.9245 117.5911 64.2148 69.0175 173.6266 93 A 4.2745 8.8239 127.2516 51.7736 24.1828 173.8602 94 L 4.7917 7.8048 120.2753 54.2779 43.7565 174.9746 95 Y 4.9198 9.2930 124.7836 56.7689 39.9994 174.2539 96 Y 5.3568 9.5539 122.3502 56.5221 41.2454 173.8294 97 C 4.4098 10.7801 123.5906 55.1050 45.1067 172.2310 98 A 5.1192 8.6827 126.2284 50.9409 23.1714 175.3091 99 R 4.4666 9.2473 122.5583 54.7883 30.3889 176.7952 100 G 3.8430 8.6036 114.4131 46.5302 0.0000 172.3965 101 Q 4.1840 7.9429 119.0010 56.4396 31.1229 177.2537 102 G 3.7127 8.8755 111.9500 46.7434 0.0000 176.3665 103 R 4.1553 8.9446 128.3435 53.7665 30.0384 172.8295 104 P 4.6384 0.0000 0.0000 63.3516 32.2025 175.7264 105 Y 4.5008 8.8337 120.0937 56.0467 42.1890 174.3227 106 W 6.0246 7.5066 118.6320 55.5569 31.4328 175.2214 107 G 4.2161 8.7882 110.0670 44.9224 0.0000 173.3029 108 Q 4.2623 8.7996 117.1449 57.0942 29.1461 177.6157 109 G 3.7300 9.0364 103.1185 45.6962 0.0000 172.5117 110 T 4.6203 8.1493 114.4749 59.8822 70.9577 172.7194 111 S 4.7923 8.6751 123.4586 57.9328 64.1096 172.5489 112 V 4.3228 9.2429 127.4866 61.6139 34.0757 174.0897 113 T 4.7122 8.4671 125.3400 61.9474 70.3877 174.0474 114 V 4.3912 9.4206 128.7913 61.6243 32.2771 174.2751 115 S 4.7572 8.9973 121.5088 56.8942 65.9825 174.0452 116 A 4.4655 8.5987 125.0657 52.2012 20.1940 177.6272 117 A 3.9119 7.1222 119.1824 51.7219 18.8294 177.3490 118 K 4.2412 8.2015 121.2859 55.6725 32.9718 177.1257 119 T 4.2866 8.7015 114.3252 62.6443 69.3885 173.4346 120 T 4.8544 8.7370 123.1853 60.6089 71.4489 172.1887 121 P 4.8853 0.0000 0.0000 61.6107 32.2802 174.2439 122 P 4.8121 0.0000 0.0000 62.8371 32.8492 175.2803 123 S 4.5855 9.1240 118.2176 56.9397 64.9490 173.1250 124 V 4.5512 7.9534 124.3613 61.1555 33.4086 174.1203 125 Y 5.0715 8.6212 125.7500 55.2808 40.9117 173.2311 126 P 4.6698 0.0000 0.0000 62.8647 32.5102 175.7829 127 A 4.7410 9.8132 127.6610 50.4790 19.9544 175.3136 128 A 4.7824 8.4173 121.9272 50.5488 22.2864 173.0831 129 P 4.2720 0.0000 0.0000 61.0814 32.8158 179.4095 130 G 4.2245 8.2355 105.4854 43.4673 0.0000 176.3571 131 C 4.6510 9.4318 119.7885 56.1746 31.4439 172.1725 132 G 3.3769 8.2051 114.1530 45.0447 0.0000 171.8706 133 D 4.7155 7.4321 119.3194 52.7667 45.0925 174.7219 134 T 3.9514 8.3988 116.8420 64.7234 68.5237 175.0605 135 T 4.6661 8.3403 122.2871 61.8265 70.3620 173.4526 136 G 3.8895 7.9975 117.2714 43.9641 0.0000 169.4053 137 S 3.8014 8.8646 115.4700 60.0342 62.3829 172.9753 138 S 3.8124 8.6673 128.0795 58.4893 59.3723 170.1077 139 V 4.3790 8.4180 125.0814 59.8859 33.8154 175.1723 140 T 4.6237 8.2824 114.1467 60.7498 69.8763 173.9784 141 L 4.6578 8.3274 126.7450 53.0710 45.3390 175.2662 142 G 4.6775 8.4492 105.9400 46.4352 0.0000 171.7014 143 C 5.6287 9.3780 116.9962 54.9164 43.3897 173.1985 144 L 4.8981 9.0780 126.0621 53.5856 43.6715 174.9751 145 V 4.6403 8.8328 127.5187 61.3209 33.2530 174.4896 146 K 4.8984 9.0336 128.8532 54.7625 36.3688 175.7301 147 G 4.2160 8.2409 110.2513 46.6710 0.0000 173.0517 148 Y 5.2235 7.5408 116.2875 53.9657 39.7630 174.3961 149 F 4.6482 8.4244 124.0940 57.8593 39.7142 172.8745 150 P 3.4723 0.0000 0.0000 62.4628 31.2154 175.6767 151 E 3.4639 8.3776 125.2638 58.2169 29.3426 174.9110 152 P 4.2545 0.0000 0.0000 63.1327 30.9991 175.4822 153 V 4.6944 7.9957 121.7747 60.0933 34.9744 174.7356 154 T 4.5723 9.0614 118.7804 61.8339 71.7343 172.8814 155 V 4.6620 8.4293 126.1863 61.5014 33.4088 174.9414 156 T 4.7397 8.5851 123.4560 61.6012 73.0490 172.7832 157 W 4.9563 8.8616 125.1470 55.5173 31.3904 175.6799 158 N 4.3334 9.7023 122.8837 54.4262 36.3564 174.4076 159 S 3.6751 8.3159 109.5675 58.6855 62.1102 172.7546 160 G 3.9201 7.6256 106.1459 47.1126 0.0000 173.7011 161 G 4.1605 7.9602 118.3150 45.1803 0.0000 172.0146 *164 S 4.7743 7.8970 116.9657 58.2681 64.4357 175.0214 165 S 4.4660 7.6957 114.4130 58.4797 62.0860 173.3900 166 V 4.2854 7.9908 117.9334 61.7350 32.9469 175.5018 167 H 4.6097 9.0823 123.2457 54.7297 32.1171 172.1492 168 T 4.6870 8.1760 120.4795 61.8109 69.6007 174.8452 169 F 4.5673 8.5872 125.6268 55.7071 40.2954 174.4080 170 P 4.3127 0.0000 0.0000 62.8093 31.7703 176.1859 171 A 4.5225 8.5949 124.2768 52.1265 19.1260 176.6469 172 L 4.8642 9.1080 122.4042 52.8362 44.7561 175.4870 173 L 4.3458 8.4354 124.4984 54.2762 43.5133 176.0592 174 Q 4.2043 8.8989 127.0812 55.8043 31.3461 174.5431 175 S 3.4265 9.4398 122.7609 59.8563 60.0554 173.2421 176 G 3.8717 8.4259 106.8231 45.4006 0.0000 173.9437 177 L 4.8348 7.3460 119.4447 52.8073 45.5108 175.6459 178 Y 4.6515 8.3464 120.4041 58.2306 39.3666 174.8437 179 T 5.2951 9.0574 118.9734 62.5642 73.4343 172.8290 180 M 5.3457 9.4253 122.1860 54.5150 35.5986 173.2928 181 S 5.3994 8.7683 112.5623 56.9637 67.4978 172.6619 182 S 5.4722 9.1654 114.7141 56.9901 65.8254 172.8445 183 S 5.4774 9.4713 121.4896 56.6510 66.5469 173.2214 184 V 4.8937 8.2944 119.6199 59.6482 34.7166 173.8656 185 T 4.9586 7.8749 119.5228 61.9685 71.1362 173.9435 186 V 4.5744 8.1149 117.4333 58.6229 36.4207 172.9622 187 P 4.5707 0.0000 0.0000 62.8765 31.6341 177.2171 188 S 4.2221 9.1052 117.6907 61.4094 62.3063 176.0253 189 S 4.7200 7.6279 111.3517 58.6729 61.9849 175.0995 190 T 4.4833 8.0335 111.1476 63.6201 69.3054 174.0286 191 W 4.3567 8.6218 132.1179 59.8414 31.3014 175.4593 192 P 4.7634 0.0000 0.0000 62.3159 28.7820 176.6316 193 S 4.4650 7.6325 108.8615 59.8555 66.4547 174.5138 *195 T 4.1466 7.7503 110.6143 61.5438 68.6711 173.0045 196 V 4.5279 8.4482 126.3912 61.3382 33.9688 174.2619 197 T 4.9096 8.8527 124.4179 61.7852 72.3135 170.2976 198 C 4.5239 8.5362 120.4510 53.2442 45.5294 172.5847 199 S 4.8632 9.1409 119.0327 56.5283 64.3783 172.7834 200 V 4.5085 8.4272 128.4971 61.4292 32.9215 174.0899 201 A 4.9158 9.0217 131.1041 50.6151 21.5022 174.8574 202 H 4.9847 9.3488 123.5145 53.0326 30.5716 172.0671 203 P 4.0522 0.0000 0.0000 65.5156 30.6401 178.3825 204 A 3.7836 7.5156 119.6696 55.6433 18.6940 178.0107 205 S 4.3620 7.8584 105.7508 57.9148 63.8744 174.3262 206 S 3.7980 7.9633 116.5544 60.5646 60.8969 172.3757 207 T 4.7703 7.9014 114.8294 62.0530 72.7237 174.8044 208 T 4.9297 8.5107 121.0359 61.7047 72.0253 173.3807 209 V 4.2129 8.9689 126.5839 61.2279 34.0441 173.8287 210 D 5.1347 8.6235 128.5421 53.0108 42.3117 176.3933 211 K 4.4768 8.6353 123.1010 54.3213 35.2557 175.6540 212 K 4.6844 8.6370 125.3679 55.8982 32.9822 176.9563 213 L 4.1440 10.3205 126.2152 56.1989 42.4215 176.8812 214 E 4.1144 8.6790 123.7412 56.4966 30.5771 174.9442 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 2 A 8.50 5.08 0.95 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 0.00 0.00 3 A 8.10 4.45 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.69 5.15 0.00 1.56 1.62 1.00 1.08 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 5 L 8.88 4.73 0.00 1.69 1.52 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.99 4.96 0.00 2.00 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 2.77 2.50 0.00 7 S 9.61 4.60 0.00 3.90 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 8 G 9.39 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 0.00 0.00 0.00 0.00 9 G 7.59 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.37 3.98 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 0.00 0.00 0.00 11 L 7.85 4.70 0.00 1.57 1.65 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.42 4.60 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 0.88 0.00 0.00 0.89 0.00 0.00 13 K 8.54 5.01 0.00 1.87 1.92 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.30 7.81 14 P 0.00 4.46 0.00 2.06 2.07 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 15 G 9.52 3.98 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 0.00 0.00 0.00 16 G 8.02 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 0.00 0.00 0.00 17 S 8.34 5.23 0.00 3.92 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.88 4.63 0.00 1.53 1.22 0.84 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.41 4.75 0.00 1.75 1.58 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.29 1.31 7.81 20 L 8.56 4.87 0.00 0.94 1.37 0.21 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.41 5.51 0.00 3.84 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 22 C 9.13 5.50 0.00 2.86 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 23 T 8.81 5.20 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 1.23 0.00 0.00 24 A 8.03 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.93 4.31 0.00 3.80 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 9.51 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 27 I 7.03 4.44 1.72 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.40 1.01 0.00 0.00 28 T 8.56 4.29 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 1.18 0.00 0.00 29 F 8.66 4.81 0.00 3.17 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 30 S 8.29 4.24 0.00 4.02 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 *32 R 7.77 4.30 0.00 0.84 1.33 0.00 3.32 0.00 0.00 3.16 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.34 0.00 *34 Y 7.58 5.32 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 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0.00 0.00 0.00 110 T 8.15 4.62 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 1.29 0.00 0.00 111 S 8.68 4.79 0.00 3.93 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 0.00 112 V 9.24 4.32 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 0.89 0.00 0.00 0.63 0.00 0.00 113 T 8.47 4.71 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 1.27 0.00 0.00 114 V 9.42 4.39 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 0.98 0.00 0.00 1.01 0.00 0.00 115 S 9.00 4.76 0.00 4.18 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 0.00 116 A 8.60 4.47 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 0.00 117 A 7.12 3.91 0.28 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 0.00 118 K 8.20 4.24 0.00 1.73 1.78 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.47 7.81 119 T 8.70 4.29 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 1.31 0.00 0.00 120 T 8.74 4.85 4.39 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 1.32 0.00 0.00 121 P 0.00 4.89 0.00 2.08 2.09 0.00 3.42 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.84 0.00 122 P 0.00 4.81 0.00 1.85 1.61 0.00 3.65 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 123 S 9.12 4.59 0.00 3.67 3.38 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 0.00 124 V 7.95 4.55 1.92 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 0.68 0.00 0.00 0.75 0.00 0.00 125 Y 8.62 5.07 0.00 2.96 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 0.00 126 P 0.00 4.67 0.00 2.19 2.15 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 127 A 9.81 4.74 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 0.00 128 A 8.42 4.78 1.43 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 0.00 0.00 129 P 0.00 4.27 0.00 2.34 2.14 0.00 4.13 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 130 G 8.24 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 0.00 131 C 9.43 4.65 0.00 3.03 2.88 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 0.00 132 G 8.21 3.38 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 0.00 133 D 7.43 4.72 0.00 2.64 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 0.00 134 T 8.40 3.95 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 1.23 0.00 0.00 135 T 8.34 4.67 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 1.42 0.00 0.00 136 G 8.00 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 0.00 137 S 8.86 3.80 0.00 3.84 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 0.00 138 S 8.67 3.81 0.00 4.03 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 0.00 139 V 8.42 4.38 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 0.20 0.00 0.00 0.66 0.00 0.00 140 T 8.28 4.62 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 1.14 0.00 0.00 141 L 8.33 4.66 0.00 1.29 1.60 0.52 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.45 4.68 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 0.00 143 C 9.38 5.63 0.00 2.72 2.86 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 0.00 144 L 9.08 4.90 0.00 1.88 1.86 1.07 1.06 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 0.00 145 V 8.83 4.64 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 0.64 0.00 0.00 0.82 0.00 0.00 146 K 9.03 4.90 0.00 1.94 1.72 0.00 2.02 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 147 G 8.24 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 0.00 148 Y 7.54 5.22 0.00 3.05 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.42 4.65 0.00 3.00 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 0.00 150 P 0.00 3.47 0.00 2.12 2.04 0.00 4.14 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 2.20 2.10 0.00 151 E 8.38 3.46 0.00 1.16 1.61 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 1.98 1.49 0.00 152 P 0.00 4.25 0.00 2.16 2.03 0.00 3.57 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 1.90 1.88 0.00 153 V 8.00 4.69 1.71 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 0.62 0.00 0.00 0.61 0.00 0.00 154 T 9.06 4.57 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 1.18 0.00 0.00 155 V 8.43 4.66 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 0.56 0.00 0.00 0.87 0.00 0.00 156 T 8.59 4.74 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 1.23 0.00 0.00 157 W 8.86 4.96 0.00 3.24 3.15 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 0.00 158 N 9.70 4.33 0.00 2.90 2.96 0.00 0.00 7.33 7.72 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 0.00 159 S 8.32 3.68 0.00 4.06 3.98 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 0.00 160 G 7.63 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 0.00 0.00 0.00 161 G 7.96 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 *164 S 7.90 4.77 0.00 3.86 3.86 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 0.00 165 S 7.70 4.47 0.00 3.82 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 0.00 166 V 7.99 4.29 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 0.86 0.00 0.00 0.81 0.00 0.00 167 H 9.08 4.61 0.00 2.94 2.61 0.00 5.66 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 T 8.18 4.69 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 1.26 0.00 0.00 169 F 8.59 4.57 0.00 3.07 3.06 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 0.00 170 P 0.00 4.31 0.00 2.13 2.06 0.00 3.88 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 2.11 2.15 0.00 171 A 8.59 4.52 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 0.00 172 L 9.11 4.86 0.00 1.63 1.60 0.95 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 173 L 8.44 4.35 0.00 1.44 1.42 -0.50 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 174 Q 8.90 4.20 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.05 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 175 S 9.44 3.43 0.00 4.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 G 8.43 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 0.00 177 L 7.35 4.83 0.00 1.66 1.48 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 178 Y 8.35 4.65 0.00 1.98 2.32 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 0.00 179 T 9.06 5.30 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 1.38 0.00 0.00 180 M 9.43 5.35 0.00 2.24 2.46 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.70 0.00 181 S 8.77 5.40 0.00 4.01 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 0.00 182 S 9.17 5.47 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.47 5.48 0.00 3.95 4.06 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 0.00 184 V 8.29 4.89 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 -0.12 0.00 0.00 0.48 0.00 0.00 185 T 7.87 4.96 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 1.12 0.00 0.00 186 V 8.11 4.57 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 0.57 0.00 0.00 0.70 0.00 0.00 187 P 0.00 4.57 0.00 2.21 2.18 0.00 3.66 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 2.06 1.94 0.00 188 S 9.11 4.22 0.00 4.18 3.99 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 0.00 189 S 7.63 4.72 0.00 4.07 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 0.00 190 T 8.03 4.48 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 1.32 0.00 0.00 191 W 8.62 4.36 0.00 3.44 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 0.00 192 P 0.00 4.76 0.00 2.25 2.09 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 193 S 7.63 4.47 0.00 4.01 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *195 T 7.75 4.15 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 1.27 0.00 0.00 196 V 8.45 4.53 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 1.25 0.00 0.00 0.93 0.00 0.00 197 T 8.85 4.91 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 198 C 8.54 4.52 0.00 1.42 1.28 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 0.00 199 S 9.14 4.86 0.00 3.71 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 0.00 200 V 8.43 4.51 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 0.65 0.00 0.00 0.72 0.00 0.00 201 A 9.02 4.92 1.16 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 0.00 202 H 9.35 4.98 0.00 3.02 3.22 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 P 0.00 4.05 0.00 2.20 2.28 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 204 A 7.52 3.78 1.16 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 0.00 205 S 7.86 4.36 0.00 4.09 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 0.00 206 S 7.96 3.80 0.00 3.97 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 0.00 207 T 7.90 4.77 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 1.19 0.00 0.00 208 T 8.51 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 1.16 0.00 0.00 209 V 8.97 4.21 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 0.90 0.00 0.00 0.86 0.00 0.00 210 D 8.62 5.13 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 K 8.64 4.48 0.00 1.56 1.68 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.45 7.81 212 K 8.64 4.68 0.00 1.68 1.81 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.48 7.81 213 L 10.32 4.14 0.00 1.83 1.87 1.26 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 214 E 8.68 4.11 0.00 2.14 2.38 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 2.11 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.