NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.4827 8.1749 117.3810 63.4894 69.8989 172.8522 7 V 4.2927 8.8312 118.4693 58.9404 34.6125 173.9349 8 A 4.4254 8.6175 126.4086 50.9116 20.8816 177.0031 9 A 4.3488 7.9988 122.5132 52.1715 19.3427 176.2814 10 Y 4.7920 7.7695 116.8449 55.7720 41.5395 174.3287 11 N 4.5320 8.9258 114.0345 54.3402 36.1159 174.7820 12 L 4.5786 7.8386 116.6990 55.2580 42.6152 178.2084 13 T 4.8227 8.9964 120.1579 61.5536 72.8115 172.8079 14 W 4.8264 8.8635 123.8852 55.0315 31.2943 175.7803 15 K 4.6109 9.3165 123.2894 54.7027 34.9625 175.3342 16 S 5.6257 8.4408 119.2198 56.6425 65.9982 172.6509 17 T 4.9485 8.4236 122.2523 62.6461 73.0474 173.6304 18 N 4.3546 10.2004 120.8221 54.3430 36.9172 176.3466 19 F 4.0016 7.5599 117.3708 57.2300 38.3415 175.0613 20 K 4.1937 8.4545 122.9974 57.0713 33.0532 175.6226 21 T 4.9821 9.0456 125.7881 61.9922 70.7694 173.8374 22 I 4.9545 8.8473 127.4472 59.2900 41.0642 174.4125 23 L 4.8227 8.4896 126.8388 53.4762 44.8188 174.8949 24 E 5.1372 8.8772 122.9410 55.0574 34.6140 174.3320 25 W 5.1286 7.4721 116.5639 57.2962 31.5693 172.3066 26 E 4.5514 8.4285 118.6495 53.9749 33.8016 173.5776 27 P 4.6033 0.0000 0.0000 62.4069 33.4689 175.1871 28 K 4.4354 8.5080 118.8052 54.4814 33.3628 174.4632 29 P 4.4957 0.0000 0.0000 61.5014 31.3652 175.9736 30 V 3.9079 8.2238 124.7196 62.3116 30.6264 174.5177 31 N 4.4439 9.1491 124.5963 53.5928 35.4042 173.8156 32 Q 4.9506 7.7111 114.1760 55.1283 32.2822 173.5022 33 V 4.6249 9.0757 112.1517 59.8571 36.3994 174.3313 34 Y 6.1858 9.0584 118.5371 55.9064 42.1636 175.1020 35 T 5.2174 8.5212 116.8476 60.9121 73.4846 172.8130 36 V 4.7393 8.2506 124.2890 61.1999 34.5262 174.3179 37 Q 5.2920 9.1165 125.5006 54.2352 32.7135 174.2558 38 I 5.4643 9.0373 122.2965 59.7525 42.1775 174.1459 39 S 5.0183 9.0398 121.8595 57.7637 67.0242 172.0516 40 T 4.7459 7.6100 108.7514 58.7616 71.0696 174.8498 41 K 3.8910 8.4623 119.9237 59.0806 31.9617 178.2314 42 S 4.5980 7.8103 111.7205 57.7927 63.2880 173.5240 43 G 4.1439 7.5650 108.8383 43.8347 0.0000 172.9594 44 D 4.6981 8.0965 118.8542 53.1213 42.4155 176.4066 45 W 4.7812 8.6859 120.0309 56.0103 30.3327 175.9338 46 K 4.7556 9.1786 125.7541 54.9764 34.1880 174.9936 47 S 5.3303 8.7085 121.5841 57.2166 65.4737 173.1396 48 K 3.9455 8.6835 121.3246 54.4954 36.9549 175.5834 49 C 4.4776 8.1355 115.4097 57.8104 37.2943 174.0491 50 F 3.9179 7.5583 118.9713 59.7592 39.6113 176.0544 51 Y 3.9290 7.6629 123.8673 59.2951 36.0729 171.2981 52 T 4.4965 8.2100 115.7572 61.5901 69.1262 174.1491 53 T 4.5313 8.2471 109.6341 61.1251 69.6177 173.7167 54 D 4.6779 8.5314 123.0604 54.6396 41.8187 175.5816 55 T 3.0381 7.6888 108.5180 60.3301 69.7034 172.9521 56 E 4.7169 7.1295 117.5692 55.8328 32.8956 174.6161 57 C 5.0470 9.3534 120.8815 55.0896 47.8067 171.9315 58 D 5.1451 8.7738 124.8088 53.0609 41.9194 176.2966 59 L 4.6526 8.5446 124.9496 54.5505 42.4105 178.3274 60 T 3.9605 7.9041 117.2189 67.2206 68.2416 175.1361 61 D 4.4400 8.1576 118.6623 57.6562 41.2426 178.7306 62 E 4.2907 8.4217 118.6329 58.8598 29.7547 178.8530 63 I 3.2247 7.4858 110.9770 63.1667 37.9616 177.5826 64 V 3.9203 7.9026 112.5793 62.0434 31.5264 177.9622 65 K 4.3058 7.6752 118.8830 58.2021 33.4144 177.2462 66 D 4.7350 7.9915 119.8392 51.6113 41.1437 175.9698 67 V 4.0126 8.0538 115.9535 62.8800 32.0442 177.5393 68 K 4.5224 7.8531 118.0011 56.1132 31.9457 176.1572 69 Q 4.2816 7.9814 120.2317 54.9577 30.6603 174.0386 70 T 4.8122 7.7044 114.2378 62.2304 71.5821 173.4291 71 Y 5.0571 8.9282 123.6997 56.3057 41.4392 174.4890 72 L 5.4123 8.9152 122.1445 53.7099 46.2056 174.9317 73 A 5.6796 9.4198 125.2060 50.7486 23.4198 174.8442 74 R 4.8620 8.9706 114.2687 54.7636 33.5601 174.1692 75 V 4.4379 8.1209 119.8330 61.0414 34.4514 174.3027 76 F 5.1415 9.3679 125.8889 55.8009 42.0026 174.5457 77 S 5.3287 8.5320 117.4260 57.1052 65.3978 173.3457 78 Y 5.0198 8.8945 121.2116 55.1842 42.0833 173.3971 79 P 4.9188 0.0000 0.0000 63.0500 32.5033 175.0031 80 A 4.0795 7.9983 122.2710 52.2454 19.5115 176.5099 81 G 4.1281 9.2181 115.8041 45.1454 0.0000 174.2711 82 N 4.6437 7.5693 121.8937 51.3908 37.7216 175.3030 83 V 4.2273 7.2294 118.6094 62.1824 32.7033 177.8190 84 E 4.3799 7.8612 120.7919 58.2664 31.8365 177.1604 85 S 3.6945 7.8896 111.2958 56.3160 62.9330 172.3414 86 T 4.8715 8.3690 119.5857 60.3338 70.6822 172.3285 87 G 4.4657 8.0238 113.9829 44.2391 0.0000 176.2826 88 S 3.7566 7.5211 114.8702 60.8560 62.9859 175.7310 89 A 4.6265 7.9669 122.1248 53.2205 19.3923 176.8491 90 G 5.0917 8.1551 105.7484 47.6124 0.0000 173.6674 91 E 4.8217 7.5838 116.7971 53.3279 33.8135 173.4497 92 P 4.9084 0.0000 0.0000 61.5165 32.8429 175.6793 93 L 4.2178 8.4762 123.0542 56.2812 42.9170 175.3376 94 Y 5.4707 7.9873 122.3305 56.3155 41.4080 173.0350 95 E 4.3205 8.1389 118.2705 54.8162 33.3756 173.5552 96 N 5.4376 8.5671 121.8407 51.9173 41.5258 173.8226 97 S 4.8205 8.5781 115.7231 55.9960 65.6728 171.9256 98 P 4.6342 0.0000 0.0000 62.5593 31.7419 175.9034 99 E 4.7582 8.4116 118.7765 56.0598 30.9004 176.1553 100 F 4.7391 8.5273 123.3039 56.8548 43.0836 173.5504 101 T 4.4386 7.8132 122.0878 59.9979 70.0386 172.8821 102 P 3.4432 0.0000 0.0000 65.7355 31.5511 178.1603 103 Y 4.3001 8.6225 119.3720 60.0542 38.8687 178.0226 104 L 4.6212 7.9575 116.9419 54.4523 43.7970 176.7184 105 E 4.5030 7.6256 114.5829 55.8136 30.9116 175.5738 106 T 4.4571 7.8243 114.5714 62.0398 68.5514 173.1099 107 N 4.9613 8.8407 121.7725 51.8058 41.3367 174.3343 108 L 4.6240 8.3156 120.3201 53.5125 44.7347 174.6169 109 G 3.8260 8.7341 105.5103 46.8503 0.0000 172.5859 *129 D 4.5323 7.6261 120.5202 53.3727 42.7096 174.6241 130 E 4.9290 8.2600 120.9549 54.6315 33.6334 174.2063 131 R 5.0567 8.5893 120.5178 55.4082 31.1797 175.0506 132 T 4.8215 8.7361 110.4016 59.6845 72.5686 174.1397 133 L 4.6790 8.9114 119.7187 55.0438 41.8382 177.5084 134 V 3.9160 7.5365 119.6804 62.3082 32.1258 175.2223 135 R 4.9932 8.2658 124.5356 54.4276 33.6394 174.7550 136 R 4.2956 8.3968 120.2287 56.2900 33.4609 175.5152 137 N 3.9488 9.0465 119.6730 55.1463 36.4699 173.2167 138 N 4.5618 7.9034 122.5630 53.7396 38.4461 175.1108 139 T 4.1911 7.6274 112.2751 61.0558 68.9986 172.4505 140 F 5.3685 8.3419 120.1903 55.8847 41.4748 175.7391 141 L 4.8180 9.0904 122.3048 53.5538 44.5545 175.3046 142 S 5.1890 8.3608 113.8952 56.9606 65.8839 175.6691 143 L 4.0682 9.0602 123.6590 58.5571 41.9839 179.5917 144 R 4.1125 8.1513 118.2434 59.4095 30.0138 177.7752 145 D 4.3953 8.2740 117.5882 56.3484 40.7834 177.9951 146 V 3.9151 7.5587 117.4934 64.1390 32.4742 176.7210 147 F 5.1247 7.6251 116.8518 55.2884 39.4202 177.7606 148 G 3.9104 8.9386 109.5456 46.2901 0.0000 176.1397 149 K 4.4928 8.9246 126.2416 56.5727 31.7320 176.5137 150 D 4.7096 8.8006 118.7079 54.0248 41.1502 175.1419 151 L 4.9786 7.4461 121.3862 53.0992 43.8804 175.3926 152 I 4.6709 8.6919 119.0234 59.4444 41.7841 173.0963 153 Y 5.1579 8.3338 118.7055 56.7041 42.1202 173.8775 154 T 4.7511 8.7203 115.6241 62.3210 73.5457 173.7810 155 L 4.4193 8.2175 122.7905 53.5244 42.6068 174.8845 *188 S 4.2424 8.1345 118.7415 57.3143 63.6393 173.3870 189 V 4.5842 7.8021 115.3838 61.0571 32.5931 175.3802 190 Q 5.3014 8.9337 123.1123 53.8081 33.3009 172.7650 191 A 5.0106 9.3382 125.2235 50.1151 21.7796 175.8797 192 V 4.7130 8.6544 121.4277 61.1117 35.6124 174.5995 193 I 5.3860 8.9414 127.3647 57.8082 38.3667 173.6606 194 P 4.3129 0.0000 0.0000 65.0125 31.9986 177.1456 195 S 4.5051 7.6881 114.1739 58.3092 62.8756 172.8006 196 R 4.7344 7.4832 117.5485 55.8778 34.4853 175.3283 197 T 4.3155 8.5337 106.9677 62.9049 70.1547 174.5947 198 V 4.1751 7.2185 112.3257 59.3331 35.2475 175.7419 199 N 3.9881 8.1459 115.4700 54.3514 35.3081 174.9295 200 R 4.1549 7.3825 121.5519 57.4821 32.1184 178.2975 201 K 5.0292 7.9402 116.4879 54.1417 35.2178 177.0784 202 S 4.6924 8.6963 119.1078 59.1417 65.0930 171.8640 203 T 4.7923 8.2670 112.6857 60.2418 69.7489 172.1718 204 D 5.8500 8.6949 118.4372 51.8453 44.5658 175.9992 205 S 4.3760 8.4695 113.6008 58.5756 63.1971 174.0514 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 6 T 8.17 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 1.35 0.00 0.00 7 V 8.83 4.29 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 0.72 0.00 0.00 1.09 0.00 0.00 8 A 8.62 4.43 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.00 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.77 4.79 0.00 3.08 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 11 N 8.93 4.53 0.00 2.97 2.95 0.00 0.00 6.82 6.74 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 12 L 7.84 4.58 0.00 1.48 1.49 0.81 0.64 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 13 T 9.00 4.82 4.23 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 1.26 0.00 0.00 14 W 8.86 4.83 0.00 2.94 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.32 4.61 0.00 1.54 1.67 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.74 7.81 16 S 8.44 5.63 0.00 3.69 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 17 T 8.42 4.95 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 1.26 0.00 0.00 18 N 10.20 4.35 0.00 2.91 2.99 0.00 0.00 7.08 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.56 4.00 0.00 3.33 3.43 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 20 K 8.45 4.19 0.00 1.94 1.86 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.51 7.81 21 T 9.05 4.98 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 1.29 0.00 0.00 22 I 8.85 4.95 1.83 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 1.26 0.81 0.90 0.00 0.00 23 L 8.49 4.82 0.00 0.97 1.29 0.02 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.88 5.14 0.00 1.79 1.57 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 2.07 2.14 0.00 25 W 7.47 5.13 0.00 3.01 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 26 E 8.43 4.55 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 1.99 2.01 0.00 27 P 0.00 4.60 0.00 2.17 2.26 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 28 K 8.51 4.44 0.00 1.74 1.78 0.00 1.49 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.40 7.81 29 P 0.00 4.50 0.00 2.15 1.71 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 30 V 8.22 3.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.95 0.00 0.00 31 N 9.15 4.44 0.00 3.02 2.96 0.00 0.00 6.53 7.33 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 32 Q 7.71 4.95 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 6.81 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 33 V 9.08 4.62 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.21 0.00 0.00 34 Y 9.06 6.19 0.00 3.12 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 35 T 8.52 5.22 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 36 V 8.25 4.74 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 0.72 0.00 0.00 0.57 0.00 0.00 37 Q 9.12 5.29 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 38 I 9.04 5.46 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.98 1.02 0.00 0.00 39 S 9.04 5.02 0.00 3.03 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 40 T 7.61 4.75 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 0.85 0.00 0.00 41 K 8.46 3.89 0.00 1.66 1.85 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.29 7.81 42 S 7.81 4.60 0.00 3.86 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 43 G 7.56 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 0.00 0.00 0.00 0.00 44 D 8.10 4.70 0.00 2.60 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 45 W 8.69 4.78 0.00 3.19 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.18 4.76 0.00 1.91 1.73 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 47 S 8.71 5.33 0.00 4.01 3.55 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 48 K 8.68 3.95 0.00 1.42 1.54 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.52 7.81 49 C 8.14 4.48 0.00 3.09 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 50 F 7.56 3.92 0.00 3.10 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 51 Y 7.66 3.93 0.00 3.14 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 52 T 8.21 4.50 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 1.58 0.00 0.00 53 T 8.25 4.53 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 1.21 0.00 0.00 54 D 8.53 4.68 0.00 2.65 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 55 T 7.69 3.04 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 1.02 0.00 0.00 56 E 7.13 4.72 0.00 1.77 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 1.97 2.18 0.00 57 C 9.35 5.05 0.00 3.30 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 58 D 8.77 5.15 0.00 2.71 2.57 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 59 L 8.54 4.65 0.00 1.79 1.67 0.66 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.90 3.96 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 1.40 0.00 0.00 61 D 8.16 4.44 0.00 2.67 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 62 E 8.42 4.29 0.00 2.02 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 2.32 2.49 0.00 63 I 7.49 3.22 1.76 0.00 0.00 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 1.82 0.68 0.56 0.00 0.00 64 V 7.90 3.92 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 0.94 0.00 0.00 1.01 0.00 0.00 65 K 7.68 4.31 0.00 2.03 1.91 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.49 1.65 7.81 66 D 7.99 4.74 0.00 2.64 2.51 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 67 V 8.05 4.01 2.36 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 0.42 0.00 0.00 0.85 0.00 0.00 68 K 7.85 4.52 0.00 1.68 1.65 0.00 1.40 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.95 1.14 7.81 69 Q 7.98 4.28 0.00 1.57 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.27 0.00 70 T 7.70 4.81 4.09 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 1.19 0.00 0.00 71 Y 8.93 5.06 0.00 2.93 3.01 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 72 L 8.92 5.41 0.00 1.76 1.55 1.26 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 73 A 9.42 5.68 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 0.00 0.00 74 R 8.97 4.86 0.00 1.41 2.13 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.16 0.00 75 V 8.12 4.44 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 -0.25 0.00 0.00 -0.24 0.00 0.00 76 F 9.37 5.14 0.00 2.58 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.53 5.33 0.00 3.75 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 78 Y 8.89 5.02 0.00 2.90 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 79 P 0.00 4.92 0.00 2.11 2.11 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.04 0.00 80 A 8.00 4.08 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 9.22 4.13 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 0.00 82 N 7.57 4.64 0.00 2.69 2.78 0.00 0.00 6.94 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 83 V 7.23 4.23 1.90 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 0.41 0.00 0.00 0.47 0.00 0.00 84 E 7.86 4.38 0.00 2.13 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 2.14 2.16 0.00 85 S 7.89 3.69 0.00 4.21 4.11 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 86 T 8.37 4.87 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 1.24 0.00 0.00 87 G 8.02 4.47 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 88 S 7.52 3.76 0.00 3.92 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 89 A 7.97 4.63 1.31 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 0.00 0.00 0.00 90 G 8.16 5.09 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 0.00 0.00 0.00 91 E 7.58 4.82 0.00 1.90 1.86 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 2.23 2.55 0.00 92 P 0.00 4.91 0.00 2.29 2.17 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.12 0.00 93 L 8.48 4.22 0.00 1.82 1.61 0.88 0.81 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 94 Y 7.99 5.47 0.00 2.18 1.75 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 95 E 8.14 4.32 0.00 1.87 1.53 0.00 0.00 0.00 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 2.29 0.00 96 N 8.57 5.44 0.00 2.68 2.91 0.00 0.00 6.86 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 97 S 8.58 4.82 0.00 4.13 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.63 0.00 2.33 2.18 0.00 4.05 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 99 E 8.41 4.76 0.00 1.85 1.84 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 2.33 2.37 0.00 100 F 8.53 4.74 0.00 1.51 1.45 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 0.00 101 T 7.81 4.44 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 1.19 0.00 0.00 102 P 0.00 3.44 0.00 2.67 2.55 0.00 3.96 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 103 Y 8.62 4.30 0.00 3.25 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 0.00 104 L 7.96 4.62 0.00 1.54 1.62 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.63 4.50 0.00 1.40 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 0.00 2.12 2.06 0.00 106 T 7.82 4.46 4.15 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 0.70 0.00 0.00 107 N 8.84 4.96 0.00 2.82 2.67 0.00 0.00 7.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.32 4.62 0.00 1.39 1.50 0.57 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.73 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 0.00 0.00 0.00 *129 D 7.63 4.53 0.00 2.74 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 0.00 130 E 8.26 4.93 0.00 2.08 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 131 R 8.59 5.06 0.00 1.69 1.89 0.00 2.93 0.00 0.00 3.03 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 132 T 8.74 4.82 4.64 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 1.49 0.00 0.00 133 L 8.91 4.68 0.00 1.88 1.93 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.54 3.92 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 0.67 0.00 0.00 0.02 0.00 0.00 135 R 8.27 4.99 0.00 1.66 1.60 0.00 2.70 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.40 0.00 136 R 8.40 4.30 0.00 1.75 1.67 0.00 3.06 0.00 0.00 3.06 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 137 N 9.05 3.95 0.00 2.76 3.11 0.00 0.00 7.15 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 0.00 138 N 7.90 4.56 0.00 2.86 2.94 0.00 0.00 7.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 7.63 4.19 4.21 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 0.00 0.00 1.22 0.00 0.00 140 F 8.34 5.37 0.00 2.97 3.01 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 0.00 141 L 9.09 4.82 0.00 1.51 1.58 0.85 0.77 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 0.00 142 S 8.36 5.19 0.00 4.07 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 0.00 143 L 9.06 4.07 0.00 2.06 1.89 1.15 0.98 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 0.00 144 R 8.15 4.11 0.00 2.09 1.99 0.00 3.43 0.00 0.00 3.49 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 145 D 8.27 4.40 0.00 2.84 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 0.00 146 V 7.56 3.92 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 0.27 0.00 0.00 0.83 0.00 0.00 147 F 7.63 5.12 0.00 3.17 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 0.00 148 G 8.94 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 0.00 0.00 0.00 149 K 8.92 4.49 0.00 1.80 1.86 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.42 7.81 150 D 8.80 4.71 0.00 2.94 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 0.00 151 L 7.45 4.98 0.00 1.64 1.51 0.52 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.69 4.67 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 0.86 0.00 0.00 153 Y 8.33 5.16 0.00 2.86 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 0.00 154 T 8.72 4.75 4.36 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 1.22 0.00 0.00 155 L 8.22 4.42 0.00 1.52 1.53 0.91 0.85 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 *188 S 8.13 4.24 0.00 3.89 3.81 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 0.00 189 V 7.80 4.58 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.90 0.00 0.00 190 Q 8.93 5.30 0.00 2.26 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 191 A 9.34 5.01 1.14 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 0.00 0.00 192 V 8.65 4.71 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 0.86 0.00 0.00 0.87 0.00 0.00 193 I 8.94 5.39 1.56 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.10 0.68 0.00 0.00 194 P 0.00 4.31 0.00 2.14 2.13 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 195 S 7.69 4.51 0.00 4.03 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 0.00 196 R 7.48 4.73 0.00 1.84 1.95 0.00 2.99 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.00 197 T 8.53 4.32 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 198 V 7.22 4.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 199 N 8.15 3.99 0.00 2.71 3.02 0.00 0.00 6.88 7.66 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 0.00 200 R 7.38 4.15 0.00 1.70 2.06 0.00 3.10 0.00 0.00 3.44 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 201 K 7.94 5.03 0.00 1.55 1.64 0.00 1.70 0.00 0.00 1.94 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.34 7.81 202 S 8.70 4.69 0.00 3.78 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 0.00 203 T 8.27 4.79 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 0.00 204 D 8.69 5.85 0.00 2.66 2.58 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 0.00 205 S 8.47 4.38 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.