NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.7543 8.4449 117.8676 55.3859 31.2248 172.8860 0 H 3.7881 8.2899 116.6366 55.3114 29.3127 173.2808 1 M 4.3505 9.3490 125.2349 55.7980 33.7492 175.1239 2 K 4.8050 8.7716 125.3525 55.1431 35.0712 175.3633 3 I 4.9378 8.9989 124.1294 59.7358 39.9259 174.9726 4 F 5.5826 9.0871 125.7555 56.0347 42.2142 174.4693 5 L 5.1527 8.4074 120.6730 53.5742 43.8774 176.1364 6 D 4.9919 8.7252 124.3643 53.7323 39.8139 175.3979 7 T 4.3934 8.1757 114.9101 61.2419 71.0652 172.4045 8 A 4.5676 8.5669 125.9678 51.2550 20.2885 175.9103 9 N 4.5623 8.1857 117.3107 53.3395 39.8564 175.9225 10 L 4.0109 8.3488 128.3065 57.3272 41.8159 179.2670 11 E 3.8056 7.8929 119.3872 59.3012 29.4566 179.1372 12 E 3.0814 7.8422 117.0441 58.9880 29.4077 179.0981 13 I 3.6444 7.4299 120.7639 63.9215 37.1124 178.1649 14 K 3.7742 8.1081 120.8549 59.3378 31.8893 178.8004 15 K 3.5229 8.0047 120.2090 59.0197 32.0360 179.0677 16 G 3.6903 7.8816 106.0770 47.9296 0.0000 176.1505 17 V 3.7407 7.9223 114.9752 63.8696 31.3727 178.2549 18 E 3.9619 8.1784 118.0828 59.5820 29.4389 179.3742 19 W 4.7359 7.8266 116.8258 57.4247 29.1708 176.9781 20 G 4.0043 8.1392 106.4608 46.6909 0.0000 174.3967 21 I 4.3914 7.8889 120.9842 60.7754 39.4827 176.2234 22 V 4.5081 7.8662 119.7076 61.5755 32.6313 174.7100 23 D 4.8142 9.3326 126.5978 55.1033 43.1605 175.8899 24 G 3.6234 7.4672 103.8795 45.4583 0.0000 172.0479 25 V 5.0193 8.0397 118.8884 61.1861 35.5060 174.3269 26 T 4.9281 9.0296 116.9072 60.3188 71.3397 173.1892 27 T 5.1316 8.3281 119.3224 62.2781 72.8942 172.4572 28 N 5.0893 8.4370 119.0846 50.8148 42.1600 173.4283 29 P 4.4886 0.0000 0.0000 65.7448 31.1732 178.9870 30 T 4.0263 7.9974 108.4546 64.6386 68.5272 176.2751 31 L 4.1137 7.9778 123.5145 58.0580 41.9830 179.5581 *32 I 3.7234 7.7823 120.0071 64.9405 35.3229 179.4011 33 S 4.5890 8.8620 116.1274 60.0900 62.3224 176.6250 *34 K 3.8525 7.7746 123.0775 57.3651 31.3404 181.7359 35 E 4.4537 8.3642 115.7131 55.8413 30.2646 176.2169 36 G 3.8981 8.4114 106.4059 45.9806 0.0000 173.5186 37 A 4.7124 7.9279 120.0847 49.4157 22.6599 176.6480 38 E 4.1669 8.5189 121.3835 56.1013 30.7129 177.6481 39 F 4.2457 8.7922 125.2815 61.5185 39.6569 177.8114 40 K 3.7950 8.5909 118.0376 59.4228 31.6028 179.1969 41 Q 3.9451 8.1616 119.3723 59.1172 28.8827 178.5255 42 R 4.1084 7.7233 120.6512 58.6047 30.1546 178.5382 43 V 3.4154 7.4171 118.0608 65.5990 31.4386 177.7695 44 K 3.8391 7.8770 119.3334 59.7593 31.8110 178.5484 45 E 3.9574 7.7739 118.3402 59.4919 29.2587 179.5682 46 I 3.7336 7.7989 119.7979 64.3476 37.0507 178.1586 47 C 4.0336 8.1266 117.5984 63.1298 27.8180 175.9459 48 D 4.3588 7.8755 118.8516 57.0589 40.3860 178.4955 49 L 4.0747 7.2511 120.0262 58.1558 42.3945 178.9614 50 V 3.6134 7.8836 110.9648 61.5720 32.5547 176.4471 51 K 2.7255 7.8763 117.5174 55.8698 29.8543 172.9140 52 G 4.0890 6.3749 102.3412 45.1084 0.0000 171.5816 53 P 4.5002 0.0000 0.0000 63.3575 32.4351 175.8450 54 V 4.5354 8.6717 124.3029 60.9565 34.1415 174.4850 55 S 4.9873 8.7849 125.5000 58.2819 64.0728 173.5843 56 A 5.0110 9.1622 126.1029 50.2419 22.3247 174.7577 57 E 4.8204 9.2493 122.9036 55.6583 31.0540 176.0419 58 V 4.1965 7.6048 117.9369 60.4925 32.9076 176.9967 59 V 3.6123 8.4577 122.7529 66.1128 31.7304 177.2448 60 S 4.3810 8.2950 114.4666 58.6048 63.0770 174.1402 61 L 4.6580 8.2483 120.5698 54.5233 43.5682 177.4031 62 D 4.7136 7.7613 119.3255 52.4871 41.9185 176.1853 63 Y 4.1332 8.8297 122.4356 61.2542 38.7136 178.6405 64 E 3.7446 8.3244 118.7278 59.3921 29.6998 179.5628 65 G 3.5278 8.2214 105.6418 47.8796 0.0000 175.6477 66 M 4.0316 8.2201 121.3428 58.2060 31.9867 179.1032 67 V 3.4149 7.4851 118.2657 65.7262 31.4357 177.7632 68 R 3.8231 7.9653 118.7173 59.8424 29.7816 178.3625 69 E 3.9853 8.2713 117.8122 59.0600 29.3474 179.0674 70 A 4.0018 8.2397 121.2001 55.3896 17.9505 179.9382 71 R 3.8523 8.0244 116.5087 59.1506 29.8270 179.0513 72 E 3.9527 7.6090 118.3307 59.3400 30.0467 178.5551 73 L 4.1356 8.2659 119.1235 57.7521 41.8270 179.3840 74 A 4.0598 8.4063 120.9784 55.0780 18.0584 179.4517 75 Q 4.1472 7.6038 114.3433 58.3058 28.7568 178.3901 76 I 3.8201 7.5170 121.0140 63.3350 37.8742 176.1550 77 S 4.5281 7.1014 109.5453 56.9993 65.5765 175.9986 78 E 3.9260 8.6580 124.0266 59.1640 29.4873 177.6134 79 Y 4.4564 7.4919 116.1821 59.3435 38.5643 175.2925 80 V 4.1992 7.4711 120.4231 62.9475 32.3004 175.4200 81 V 4.6539 8.7637 127.2048 61.1669 34.7983 174.1197 82 I 4.6611 8.8093 129.2592 60.3765 38.3675 175.1468 83 K 4.8103 9.0461 128.1571 56.2282 33.2692 176.1351 84 I 4.8870 8.8562 126.4738 58.4959 40.3226 173.5847 85 P 4.5462 0.0000 0.0000 62.8801 32.2900 176.6340 86 M 4.4671 8.4770 122.7539 55.8077 31.1275 175.2340 87 T 4.7524 8.0558 114.1712 57.9729 72.6227 173.3824 88 P 4.2250 0.0000 0.0000 66.3320 31.1843 178.6113 89 D 4.5167 8.2102 116.8402 57.3557 40.7792 178.9685 90 G 3.6757 8.1891 106.2965 47.9617 0.0000 175.8655 91 I 3.8283 8.1293 122.5096 63.7547 37.1426 178.3575 92 K 3.8702 8.4709 120.7805 59.5202 32.0349 178.7132 93 A 4.2768 8.6538 121.4243 55.0967 18.2510 179.7265 94 V 3.5215 8.0248 116.8175 66.0169 31.5074 177.9975 95 K 4.0985 7.9440 120.6140 59.2430 31.6852 178.7736 96 T 3.9628 7.9409 115.5818 66.8223 68.4394 176.7788 97 L 4.0310 8.5314 121.1547 57.8333 41.7262 179.6882 98 S 4.1050 8.6099 115.3822 61.7029 62.5895 176.7197 99 A 4.1435 7.7255 122.4034 54.1164 18.0291 178.3370 100 E 4.5777 7.5413 114.5027 55.9319 30.2819 176.5309 101 G 3.8635 7.7207 105.3358 46.9228 0.0000 173.5959 102 I 4.3865 7.6927 120.5149 59.3572 38.3660 176.0234 103 K 4.4393 8.7067 126.9870 56.4269 33.6831 176.0499 104 T 5.1930 8.8543 113.7036 59.9360 72.4990 172.6200 105 N 5.2380 9.5532 121.9580 51.9724 41.9440 173.1412 106 V 4.4783 8.8034 127.9890 62.7529 32.9809 175.0290 107 T 4.7833 8.8206 122.3707 59.7378 71.1311 172.9156 108 L 2.4400 7.4721 119.6058 55.4271 38.9372 175.3430 109 V 4.2354 6.6826 117.0238 61.5345 32.5304 175.4874 110 F 4.9148 9.5635 124.8272 56.7066 40.3593 175.3907 111 S 4.7800 7.7092 115.2254 55.4373 67.2285 173.0684 112 P 4.3336 0.0000 0.0000 65.4203 30.9585 178.9975 113 A 4.0415 7.9940 119.5872 55.1685 18.4109 179.4068 114 Q 3.9378 8.0626 116.0036 59.2190 28.9287 179.0654 115 A 4.1165 7.9015 121.4494 55.0276 18.2535 179.8539 116 I 3.5286 7.8140 118.4038 64.5431 37.2064 178.4940 117 L 3.8773 7.6717 119.4528 57.6642 41.4430 179.3986 118 A 3.9351 8.0561 120.3385 55.2142 18.4716 179.5957 119 A 3.9345 7.5278 120.2240 54.6654 18.0429 180.0569 120 K 3.7629 7.7207 116.0529 59.2951 32.2047 179.0176 121 A 4.2005 8.0973 120.3446 53.0477 18.0689 178.5641 122 G 3.8217 7.5905 105.3573 45.2282 0.0000 173.8672 123 A 4.5224 7.4579 121.4646 51.7362 19.1491 179.0392 124 T 3.9525 8.6330 118.7872 66.2804 69.6625 174.1497 125 Y 5.5663 8.5521 117.9131 56.0270 42.6083 175.0229 126 V 4.9184 8.9302 120.6996 60.3168 35.2216 174.8377 127 S 5.6016 9.0110 119.5855 54.9843 64.2266 170.6154 128 P 4.5216 0.0000 0.0000 62.4780 32.4508 175.5167 129 F 4.7684 8.6314 123.8539 56.4949 38.6344 177.1783 130 V 3.6721 8.7973 123.7064 65.9374 31.7425 177.9331 131 G 3.6813 8.1475 105.4707 47.9056 0.0000 175.8117 132 R 4.3022 7.8350 119.7416 59.3229 30.5298 178.7228 133 M 4.3080 8.0632 117.4908 58.5095 31.9252 178.2284 134 D 4.4721 8.4375 119.2656 57.8813 40.8292 178.9371 135 D 4.4076 7.9335 117.4401 56.8090 40.8164 177.8685 136 L 4.2745 7.8324 117.5785 54.3407 41.5389 177.6588 137 S 4.1492 7.8590 113.9312 59.7297 60.8603 171.8584 138 N 4.6535 7.6655 115.1763 52.5953 38.3844 172.9986 139 D 4.3387 8.0781 123.1189 54.5467 38.6925 174.1314 140 G 3.6529 9.4651 112.4913 47.2830 0.0000 172.4091 141 M 4.0650 8.0318 120.0924 58.3566 32.3468 178.1703 142 R 3.9010 8.1155 119.0688 59.4795 30.4125 178.4050 143 M 4.1304 7.8837 117.0771 58.1591 31.1802 178.3358 144 L 4.0067 8.2218 121.6936 57.9180 42.2766 179.1927 145 G 3.6011 8.3719 105.8749 47.8065 0.0000 175.5680 146 E 4.0662 8.0990 120.7550 59.1751 29.3965 179.5187 147 I 3.7014 7.6707 119.6216 64.2636 37.1591 178.3653 148 V 3.5187 7.8190 119.2842 66.0668 31.2903 177.4948 149 E 3.9265 8.1827 118.7307 59.4846 29.2893 178.9296 150 I 3.8423 7.8712 119.6346 64.8227 37.2831 178.1347 151 Y 4.3606 8.8614 118.0307 61.1694 37.4488 178.3303 152 N 4.3703 8.5617 117.2096 56.4890 38.7370 176.8961 153 N 4.2193 7.9746 116.6913 55.3848 37.8844 175.9102 154 Y 4.5819 7.3302 115.3156 55.9540 39.2724 175.9203 155 G 3.8624 8.1017 107.7513 45.8056 0.0000 174.2405 156 F 4.3326 6.8323 114.4074 57.5273 39.4110 177.1003 157 E 4.1944 8.8403 124.0387 59.0746 29.7999 177.6700 158 T 4.2110 7.2546 114.9836 64.5383 69.6486 172.9496 159 E 5.0545 9.1705 125.5373 54.9665 32.3429 175.0766 160 I 4.5157 9.5198 125.1358 60.6663 39.1220 174.9819 161 I 4.3865 8.9993 129.0388 59.3049 38.4918 174.9968 162 A 4.0851 8.8258 130.6804 52.4352 19.3818 176.1638 163 A 4.4498 8.4685 123.6598 49.7117 23.1561 175.2922 164 S 3.6393 7.5083 109.3763 59.3354 60.5878 171.7561 165 I 4.4071 7.4557 119.1432 60.4560 38.1316 176.3858 166 R 4.5342 8.4070 123.0643 56.9174 32.4661 175.2297 167 H 4.7108 7.4829 110.6206 52.6668 31.0563 172.5194 168 P 4.2221 0.0000 0.0000 66.4714 30.9374 178.8354 169 M 4.1724 8.0955 116.5786 58.2153 31.8275 178.1353 170 H 4.2143 7.9808 116.8732 58.9907 28.8065 177.8332 171 V 3.5227 7.6130 119.2191 65.9452 31.4029 178.0768 172 V 3.5457 7.7946 117.9245 66.1770 31.3200 177.9121 173 E 3.9414 8.6385 118.5436 59.2005 29.2343 179.2049 174 A 3.9505 8.3159 120.9465 55.0425 18.4326 179.5264 175 A 3.9183 8.3165 119.6567 55.3541 18.2337 179.9127 176 L 3.9833 8.0209 116.7263 57.9704 41.7281 179.1462 177 M 4.2760 7.7855 117.2789 55.6826 32.2393 176.5571 178 G 3.7513 7.7238 106.2618 45.9333 0.0000 174.1375 179 V 3.7338 7.3572 118.2298 62.6326 32.5682 175.6072 180 D 4.6168 8.7396 125.0276 57.1570 41.8163 176.3911 181 I 4.9923 7.9616 117.8379 59.4045 41.9764 174.4267 182 V 4.5765 8.4299 125.1612 61.2457 34.2265 173.9084 183 T 5.2086 8.3798 122.7816 60.5123 69.2255 173.1477 184 M 4.9232 8.8748 124.9033 52.9613 35.3571 172.9444 185 P 4.6700 0.0000 0.0000 62.7274 32.4583 177.1912 186 F 4.3092 9.1335 122.4719 61.6705 39.1385 177.3396 187 A 4.3188 8.2324 121.1869 54.5588 18.1279 179.7016 188 V 3.5368 7.7371 116.2587 65.9531 31.5249 177.7471 189 L 3.9380 7.5314 118.4401 58.2987 42.0126 178.2495 190 E 4.0601 8.1921 118.7207 59.6695 29.4096 179.6431 191 K 3.9719 7.8339 118.2919 59.4580 31.8416 179.2851 192 L 3.9451 7.4812 117.9805 57.7805 41.5008 179.3152 193 F 4.0211 7.8325 116.8754 58.7291 39.1830 175.7892 194 K 4.5108 7.3606 117.3972 55.7578 33.5253 176.1829 195 H 4.6316 8.2199 119.5031 53.4376 33.8127 173.0637 196 P 4.3209 0.0000 0.0000 66.2378 31.0456 178.7059 197 M 4.1379 8.2771 118.2245 58.3464 31.9608 178.5276 198 T 3.8911 7.9332 115.5858 66.7629 68.6948 176.1878 199 D 4.3866 7.9819 120.2702 57.4051 40.7961 178.9175 200 L 4.0943 8.0670 119.7055 57.5674 41.5949 179.6803 201 G 3.5448 8.3630 106.0376 47.9291 0.0000 175.8415 202 I 3.8995 7.9617 122.2593 64.1224 37.1898 178.3812 203 E 3.9672 8.2118 119.5457 59.4559 28.8284 179.4522 204 R 4.3738 7.9845 120.1388 58.6329 29.8792 178.1454 205 F 4.3546 7.9063 116.0355 59.4656 39.1168 177.7048 206 M 4.2373 7.9751 118.7132 58.3677 32.3230 177.7451 207 E 4.0345 8.0533 117.5474 59.7659 29.1764 176.9587 208 D 4.5317 7.5718 122.4614 54.3648 40.9783 175.9229 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 H 8.44 4.75 0.00 3.15 3.44 0.00 5.91 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.29 3.79 0.00 3.21 3.32 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 9.35 4.35 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 2 K 8.77 4.80 0.00 1.62 1.81 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.45 7.81 3 I 9.00 4.94 2.15 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 1.21 0.72 0.99 0.00 0.00 4 F 9.09 5.58 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 5 L 8.41 5.15 0.00 1.65 1.63 1.05 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.73 4.99 0.00 2.49 2.67 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 0.00 0.00 0.00 0.00 7 T 8.18 4.39 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 1.18 0.00 0.00 8 A 8.57 4.57 1.20 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 9 N 8.19 4.56 0.00 2.70 2.55 0.00 0.00 7.22 6.05 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 10 L 8.35 4.01 0.00 1.65 1.61 0.87 0.89 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 11 E 7.89 3.81 0.00 1.91 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 2.24 2.21 0.00 12 E 7.84 3.08 0.00 1.16 1.12 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 2.15 2.21 0.00 13 I 7.43 3.64 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.81 0.00 0.00 14 K 8.11 3.77 0.00 1.90 1.81 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.32 7.81 15 K 8.00 3.52 0.00 1.66 1.13 0.00 1.54 0.00 0.00 1.56 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.84 0.99 7.81 16 G 7.88 3.69 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 0.00 0.00 0.00 17 V 7.92 3.74 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 0.82 0.00 0.00 0.92 0.00 0.00 18 E 8.18 3.96 0.00 1.78 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 2.30 2.40 0.00 19 W 7.83 4.74 0.00 3.62 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 G 8.14 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 0.00 0.00 0.00 21 I 7.89 4.39 2.22 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 1.21 0.83 1.12 0.00 0.00 22 V 7.87 4.51 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.10 0.00 0.00 23 D 9.33 4.81 0.00 2.92 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 24 G 7.47 3.62 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 0.00 25 V 8.04 5.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.83 0.00 0.00 26 T 9.03 4.93 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 1.33 0.00 0.00 27 T 8.33 5.13 4.46 0.00 0.00 0.00 0.00 0.00 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 28 N 8.44 5.09 0.00 2.83 2.66 0.00 0.00 6.87 7.71 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 29 P 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7.81 104 T 8.85 5.19 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 1.25 0.00 0.00 105 N 9.55 5.24 0.00 2.90 2.82 0.00 0.00 6.90 7.57 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 0.00 106 V 8.80 4.48 2.13 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 1.00 0.00 0.00 0.97 0.00 0.00 107 T 8.82 4.78 4.35 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 0.00 0.00 0.00 1.33 0.00 0.00 108 L 7.47 2.44 0.00 1.72 1.68 0.88 0.39 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 0.00 109 V 6.68 4.24 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 0.94 0.00 0.00 0.95 0.00 0.00 110 F 9.56 4.91 0.00 3.03 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 0.00 111 S 7.71 4.78 0.00 4.04 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 0.00 112 P 0.00 4.33 0.00 2.24 2.20 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 113 A 7.99 4.04 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.06 3.94 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 115 A 7.90 4.12 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 0.00 116 I 7.81 3.53 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.97 0.86 0.00 0.00 117 L 7.67 3.88 0.00 1.79 1.69 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.06 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.53 3.93 0.18 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 0.00 120 K 7.72 3.76 0.00 1.69 1.79 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.37 7.81 121 A 8.10 4.20 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 122 G 7.59 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.46 4.52 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.63 3.95 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 0.72 0.00 0.00 125 Y 8.55 5.57 0.00 3.06 2.85 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 0.00 126 V 8.93 4.92 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 0.80 0.00 0.00 1.02 0.00 0.00 127 S 9.01 5.60 0.00 3.93 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 0.00 128 P 0.00 4.52 0.00 2.02 1.91 0.00 3.77 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 2.02 2.02 0.00 129 F 8.63 4.77 0.00 2.26 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 0.00 130 V 8.80 3.67 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 0.83 0.00 0.00 0.85 0.00 0.00 131 G 8.15 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 0.00 132 R 7.83 4.30 0.00 2.24 2.21 0.00 3.64 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 133 M 8.06 4.31 0.00 2.17 2.48 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 3.17 0.00 134 D 8.44 4.47 0.00 3.05 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 0.00 135 D 7.93 4.41 0.00 2.94 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 0.00 136 L 7.83 4.27 0.00 1.87 1.68 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.86 4.15 0.00 4.02 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 0.00 138 N 7.67 4.65 0.00 2.63 2.85 0.00 0.00 6.83 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 0.00 139 D 8.08 4.34 0.00 2.87 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 0.00 140 G 9.47 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 0.00 0.00 0.00 141 M 8.03 4.07 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.86 0.00 142 R 8.12 3.90 0.00 2.07 2.10 0.00 3.21 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 143 M 7.88 4.13 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.66 0.00 144 L 8.22 4.01 0.00 1.82 1.85 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.37 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 0.00 0.00 0.00 146 E 8.10 4.07 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 147 I 7.67 3.70 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 0.41 0.00 0.00 148 V 7.82 3.52 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 1.07 0.00 0.00 0.89 0.00 0.00 149 E 8.18 3.93 0.00 2.24 2.23 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 2.32 2.41 0.00 150 I 7.87 3.84 2.31 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.79 1.42 0.00 0.00 151 Y 8.86 4.36 0.00 3.25 3.18 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 0.00 152 N 8.56 4.37 0.00 2.86 2.86 0.00 0.00 7.07 7.59 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 0.00 153 N 7.97 4.22 0.00 2.28 1.98 0.00 0.00 6.88 6.83 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 0.00 154 Y 7.33 4.58 0.00 1.73 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 0.00 0.00 0.00 155 G 8.10 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 0.00 0.00 0.00 156 F 6.83 4.33 0.00 2.57 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 0.00 157 E 8.84 4.19 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 2.34 2.35 0.00 158 T 7.25 4.21 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 1.43 0.00 0.00 159 E 9.17 5.05 0.00 2.03 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 0.00 2.34 2.30 0.00 160 I 9.52 4.52 1.81 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.51 0.79 0.00 0.00 161 I 9.00 4.39 1.94 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.23 0.77 0.00 0.00 162 A 8.83 4.09 1.15 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 0.00 0.00 163 A 8.47 4.45 0.76 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 0.00 164 S 7.51 3.64 0.00 3.51 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 0.00 165 I 7.46 4.41 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.04 0.89 0.00 0.00 166 R 8.41 4.53 0.00 1.57 1.95 0.00 3.45 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 167 H 7.48 4.71 0.00 3.27 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.22 0.00 2.17 2.15 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 169 M 8.10 4.17 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 170 H 7.98 4.21 0.00 3.28 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 V 7.61 3.52 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 1.08 0.00 0.00 0.91 0.00 0.00 172 V 7.79 3.55 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 1.05 0.00 0.00 0.91 0.00 0.00 173 E 8.64 3.94 0.00 2.12 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 2.55 0.00 174 A 8.32 3.95 1.34 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 0.00 0.00 175 A 8.32 3.92 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 0.00 176 L 8.02 3.98 0.00 1.76 1.74 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 177 M 7.79 4.28 0.00 1.93 2.23 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 2.61 2.54 0.00 178 G 7.72 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 0.00 0.00 0.00 179 V 7.36 3.73 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 0.82 0.00 0.00 0.91 0.00 0.00 180 D 8.74 4.62 0.00 2.87 2.89 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 0.00 181 I 7.96 4.99 1.64 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 0.72 0.64 -0.24 0.00 0.00 182 V 8.43 4.58 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 0.86 0.00 0.00 183 T 8.38 5.21 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 1.27 0.00 0.00 184 M 8.87 4.92 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 185 P 0.00 4.67 0.00 2.26 2.09 0.00 3.69 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 2.14 2.11 0.00 186 F 9.13 4.31 0.00 3.21 3.13 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 0.00 187 A 8.23 4.32 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 V 7.74 3.54 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 1.02 0.00 0.00 0.99 0.00 0.00 189 L 7.53 3.94 0.00 1.77 1.86 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 190 E 8.19 4.06 0.00 2.11 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 0.00 2.04 1.74 0.00 191 K 7.83 3.97 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.70 7.81 192 L 7.48 3.95 0.00 1.67 1.47 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 193 F 7.83 4.02 0.00 2.94 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 0.00 194 K 7.36 4.51 0.00 1.84 1.72 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.58 7.81 195 H 8.22 4.63 0.00 3.15 3.08 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.32 0.00 2.29 2.26 0.00 3.22 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 2.02 1.96 0.00 197 M 8.28 4.14 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.65 0.00 198 T 7.93 3.89 4.45 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 1.24 0.00 0.00 199 D 7.98 4.39 0.00 2.88 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 0.00 200 L 8.07 4.09 0.00 1.82 1.66 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 201 G 8.36 3.54 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 0.00 0.00 0.00 202 I 7.96 3.90 2.02 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 1.60 0.61 0.95 0.00 0.00 203 E 8.21 3.97 0.00 2.13 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 2.32 2.47 0.00 204 R 7.98 4.37 0.00 1.74 1.58 0.00 3.24 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.00 205 F 7.91 4.35 0.00 3.09 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 0.00 206 M 7.98 4.24 0.00 2.03 2.35 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 207 E 8.05 4.03 0.00 2.21 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 2.47 2.41 0.00 208 D 7.57 4.53 0.00 2.75 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 * Residues marked with a * may have inaccurate shift predictions.