NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4117 8.3349 115.2881 57.9924 63.3413 172.7325 3 K 4.4311 8.3370 127.1242 51.7801 34.1613 173.7602 4 P 4.4837 0.0000 0.0000 62.0092 32.9162 175.4024 5 Q 3.9954 8.5847 119.7681 56.0586 29.3969 174.4592 6 P 4.9061 0.0000 0.0000 62.9367 33.2413 174.9493 7 I 4.9474 8.5161 121.1221 59.5670 40.9408 174.7514 8 A 4.7682 9.2244 127.4926 50.2234 21.0118 174.2069 9 A 5.2489 9.8839 123.5473 50.8960 22.0689 174.7784 10 A 4.7054 8.8088 124.4627 50.0192 21.7877 174.8869 11 N 5.0675 10.1032 121.1358 51.5167 41.3233 173.2860 12 W 4.9827 8.7928 135.0000 57.4462 30.9195 176.2720 13 K 4.0230 8.2130 128.5761 56.2318 32.3081 173.0261 *19 D 4.5106 7.6453 117.1620 53.8967 42.1202 175.1737 20 S 4.7181 8.2519 115.6982 56.5727 64.2143 174.0793 21 L 3.1718 8.2807 131.0547 58.5512 41.5677 178.7895 22 S 3.9392 7.8906 113.9310 62.0053 62.6692 176.3413 23 E 3.8015 7.6852 119.9243 59.3522 29.2791 179.0710 24 L 3.5599 7.6343 118.9294 57.5992 41.5925 179.4524 25 I 3.5426 7.5831 119.8704 64.2741 36.7048 178.2761 26 D 4.2338 7.8400 119.2450 56.9119 40.9983 178.1056 27 L 4.0034 7.1953 120.9178 58.3448 42.0660 179.1828 28 F 4.5177 7.5166 117.4774 60.7684 38.6205 177.4397 29 N 4.4263 8.3591 115.5131 55.3095 38.2734 176.4820 30 S 4.7101 7.5083 112.7953 57.3711 63.8135 173.5359 31 T 4.4562 7.5733 119.4390 62.6214 69.5040 174.4657 32 S 4.5165 8.6311 122.5200 57.5652 63.4233 173.6788 33 I 4.3631 8.4286 126.8164 60.0140 38.0841 175.0031 34 N 4.8360 8.8080 122.2057 52.9653 38.8394 174.2253 35 H 4.9093 7.7946 113.0514 53.0326 31.5861 172.8802 36 D 4.3985 8.4837 119.6228 54.4353 40.3866 175.7057 37 V 4.4740 7.6369 125.6972 60.3658 34.4723 173.5197 38 Q 4.1138 8.7597 126.9501 55.7319 30.2870 173.9673 39 C 4.8833 8.4935 124.3559 57.8628 30.7609 172.9197 40 V 4.4905 8.9101 123.0091 60.9526 34.5449 174.3797 41 V 4.6111 8.6825 127.4168 61.1217 33.4585 173.5405 42 A 4.9293 8.8223 130.8882 51.0394 20.0197 175.9993 43 S 5.2894 8.5575 116.7153 56.3681 66.1519 173.5845 44 T 4.5044 8.5653 113.1188 60.4702 69.7005 175.6947 45 F 4.4614 8.8571 117.3344 60.2810 37.4366 177.9087 46 V 3.2092 7.6666 111.7823 63.5543 31.8239 176.9129 47 H 4.8452 8.0261 113.8538 55.4794 29.4080 176.4815 48 L 4.1290 7.7596 123.0139 57.3917 41.2171 179.2811 49 A 4.3706 8.1659 119.6591 55.3636 18.1752 178.9009 50 M 4.1615 8.0487 116.3283 58.1471 32.5202 178.4331 51 T 3.8169 7.7176 110.0749 64.7381 68.9303 176.7703 52 K 4.0666 7.9981 121.3955 58.4880 32.1951 178.2010 53 E 4.0284 7.7008 118.1189 58.7827 29.6606 177.9760 54 R 4.4289 7.3255 115.7455 56.4758 31.3582 176.8669 55 L 4.0758 7.8167 121.4789 55.5131 42.0901 176.3364 56 S 4.6186 9.0246 118.9713 57.7912 64.2700 173.2790 57 H 4.3805 8.1349 122.1559 55.5936 30.0397 174.0202 58 P 4.3111 0.0000 0.0000 65.5922 31.4214 177.2982 59 K 4.3032 8.3840 114.8670 56.7286 32.5941 175.6364 60 F 5.0893 8.0994 118.4023 56.0184 40.7892 175.5249 61 V 4.6895 8.5538 115.1779 59.4690 35.9927 174.1561 62 I 5.0326 8.3276 114.9417 59.5084 39.3884 174.9221 63 A 5.2768 8.9620 127.1856 50.4460 22.1384 175.8709 64 A 5.0078 8.8252 121.8481 51.0190 21.9044 176.1445 65 Q 4.7969 8.0747 116.6306 55.2727 32.0690 176.3698 66 N 3.9497 9.2703 118.9619 53.4766 37.4132 174.4929 67 A 3.9658 7.6490 121.5477 52.5774 18.7401 178.1026 68 G 3.9745 8.2982 107.2427 44.7080 0.0000 171.4705 69 N 4.7366 7.9154 121.9094 51.9089 40.3219 175.4645 70 E 3.9984 9.0378 122.2509 59.3965 30.2590 174.8084 71 D 4.5371 8.4711 120.8711 57.9692 41.5155 179.4663 72 S 4.0079 8.0682 115.6541 60.8302 62.7941 178.1906 *80 L 4.3774 7.9716 122.3795 54.8374 43.6498 178.0322 81 P 4.4276 0.0000 0.0000 67.1715 30.8457 181.0609 82 S 4.3629 7.9929 114.3618 61.5657 62.7851 176.7002 83 L 4.1941 8.1925 121.9449 57.7779 41.3468 179.7979 84 K 4.1747 8.0375 119.6156 59.5511 32.2773 178.7724 85 D 4.3721 7.8863 119.1255 57.2336 40.8960 178.2840 86 F 4.5933 8.0068 118.6956 59.1181 39.5014 175.7968 87 G 3.9477 8.3317 107.0412 45.8239 0.0000 173.1286 88 V 4.4624 8.1871 119.5221 60.9032 33.2782 175.2592 89 N 4.5016 8.9939 122.3771 52.4836 41.1413 173.8896 90 W 5.3855 8.3983 118.5527 55.2547 32.9831 174.3952 91 I 5.0486 8.6021 120.3452 60.0775 41.5583 173.2482 92 V 4.8812 8.8520 128.7724 61.3628 33.6150 174.5029 93 L 4.8568 8.5781 126.5671 53.2422 46.3640 176.7027 94 G 3.9129 8.7742 106.8738 46.6987 0.0000 173.7030 95 H 4.4804 7.9728 118.7682 55.4658 30.8524 175.9915 96 S 4.1020 8.5948 119.2744 61.8236 62.5401 176.8308 97 E 4.1774 8.1567 120.4793 58.4258 29.1371 179.0356 98 R 4.2052 8.0787 119.8220 59.2621 29.9008 178.9508 99 R 3.8741 7.3391 118.4023 57.4968 29.9950 178.1527 100 W 5.1096 7.5315 115.8291 57.1530 29.4772 176.6463 101 Y 4.3728 7.8514 118.6179 59.4535 39.1662 176.8110 102 Y 3.9818 7.9833 114.0397 58.2995 38.4525 175.9062 103 G 3.7875 7.4816 108.1371 46.3367 0.0000 173.6581 104 E 3.9857 8.8857 121.8887 55.7764 29.4664 177.5532 105 T 4.4999 8.1410 115.2802 60.3458 71.6015 174.9932 106 N 4.2012 8.6243 117.7651 56.9516 38.4085 177.4167 107 E 3.9909 8.1003 118.9443 59.4394 29.5887 179.4083 108 I 3.6991 7.4552 120.1525 64.1126 37.0538 178.6552 109 V 3.4788 8.0688 119.2863 65.8210 31.3379 177.7655 110 A 3.9353 8.2582 120.9276 55.5070 18.1434 179.4354 111 D 4.2546 8.2696 117.2956 57.3353 40.7925 179.0764 112 K 3.8433 8.0143 119.0936 59.2988 32.0153 179.5866 113 V 3.4059 8.0609 118.5261 65.9323 31.4573 177.8257 114 A 3.9069 8.0291 120.3438 55.2412 17.9669 179.4998 115 A 3.8880 7.9531 117.9283 55.0449 18.7541 179.3992 116 A 3.9156 8.1075 119.5432 55.2868 18.4474 180.0149 117 V 3.4814 8.2300 116.9027 66.1291 31.3894 178.0967 118 A 4.1316 8.2490 119.5192 54.3114 18.1282 178.7295 119 S 4.7533 7.7571 111.8522 57.9297 63.4399 174.2969 120 G 3.7510 8.1661 109.0548 46.4716 0.0000 173.7747 121 F 4.8201 8.0476 116.7336 55.8632 41.2600 175.7999 122 M 4.0910 8.4656 122.5744 54.8693 33.2034 175.4694 123 V 4.6743 8.3254 122.7065 61.2368 34.8169 174.4055 124 I 4.8288 8.8701 129.4606 60.0569 38.0286 173.9428 125 A 4.8296 8.7657 130.0206 50.9806 20.1072 175.7958 126 C 5.2392 9.3000 121.8118 58.8668 29.8873 173.3476 127 I 4.7320 8.6301 114.5247 59.0095 41.1674 174.1710 128 G 4.9647 8.2569 112.3009 46.1863 0.0000 171.1821 129 E 5.1744 8.2379 118.4470 54.8600 33.2790 174.7777 130 T 4.8074 8.6812 110.8005 59.9312 71.4252 175.6570 131 L 4.1360 8.5382 122.4339 58.2778 41.8820 178.6453 132 Q 3.9459 7.9723 117.4853 59.1446 28.7132 178.5207 133 E 3.9119 8.1110 119.4075 59.5209 29.4766 179.5415 134 R 3.7898 8.4589 119.0472 59.2106 29.8983 178.2339 135 E 4.1030 8.3992 117.9603 58.2531 29.5305 178.1698 136 S 4.5677 7.5562 112.9424 57.2786 63.6266 173.9648 137 G 3.8243 7.8352 109.7751 47.9501 0.0000 175.2512 138 R 4.5586 7.9492 115.4948 55.8268 30.8284 177.5065 139 T 4.2960 8.1621 118.4640 66.2881 68.3543 175.8589 140 A 4.0136 7.9383 121.9193 55.2709 18.6309 179.9182 141 V 3.5804 7.6958 117.1554 64.6271 31.6533 178.7726 142 V 3.6046 8.0187 119.1584 65.8544 31.1568 178.2966 143 V 3.6793 8.2201 118.4796 66.0079 31.3424 177.9506 144 L 3.6465 8.2344 118.7877 57.4109 41.4991 179.4043 145 T 3.9111 7.7261 115.5921 66.2572 68.5533 176.8970 146 Q 3.9968 8.0860 120.2855 58.6988 28.6026 178.6554 147 I 3.7806 7.3597 118.9869 63.7290 38.1005 177.3392 148 A 4.0910 7.5490 121.8829 55.4862 17.8885 179.2776 149 A 3.9803 7.5966 117.2577 55.6384 18.7192 179.6950 150 I 3.7879 7.3358 116.7123 64.4525 37.1619 178.6120 151 A 4.3739 9.0701 122.2651 54.9840 18.1044 179.4139 152 K 4.0487 8.5593 117.6108 58.6987 32.3041 177.4632 153 K 4.3879 7.8969 116.3499 56.3818 33.0186 176.1458 154 L 4.6864 7.6368 118.7050 52.7417 44.0094 176.2495 155 K 4.5209 9.2760 121.1468 54.8831 33.9074 178.0669 156 K 4.1006 8.7337 121.2657 59.7633 32.5546 178.8997 157 A 4.2332 8.0837 120.2211 54.9821 18.3065 179.0099 158 D 4.3457 8.1459 117.5787 57.3055 40.8650 178.9629 159 W 4.2645 8.0570 117.9565 59.3679 28.7024 177.9866 160 A 4.1480 7.8908 120.2649 54.6975 17.9303 178.1881 161 K 4.2389 8.4212 115.2643 56.1324 32.3062 175.7104 162 V 4.7212 7.5170 118.8653 60.9613 33.8686 174.9855 163 V 4.6467 9.1815 127.2182 61.2052 34.7988 173.8962 164 I 5.0688 8.5956 127.2223 59.7025 39.7525 174.2405 165 A 5.3407 8.7746 128.6319 50.4323 21.5217 174.6427 166 Y 4.9985 9.4128 124.7277 56.3952 40.8767 174.0515 167 E 4.5087 8.9141 127.3385 53.5451 31.4947 174.5552 168 P 4.9505 0.0000 0.0000 60.9965 30.0086 176.7607 169 V 3.4446 7.7659 125.3729 66.3594 31.9702 177.7458 170 W 4.3293 8.0721 115.3465 58.6755 27.7078 176.3818 171 A 4.1947 7.2560 120.0855 51.2421 18.7242 176.0994 172 I 4.0802 7.9807 111.2991 62.0828 37.6356 175.3351 173 G 3.9569 9.0632 114.4042 45.7322 0.0000 172.4752 174 T 4.3567 7.8698 109.2100 60.3650 70.6136 175.1507 175 G 3.8708 8.6404 111.6087 45.8696 0.0000 173.4034 176 K 4.6583 7.7499 120.4945 52.4821 33.5765 180.2064 177 V 4.3600 8.3132 121.6011 60.2980 33.7312 174.7339 178 A 5.0670 8.4118 129.8678 51.4730 20.1382 176.7257 179 T 4.6389 9.2298 112.6697 59.4962 71.0660 174.2078 180 P 4.3023 0.0000 0.0000 65.8860 31.1904 178.9130 181 Q 3.9896 7.6533 117.0864 59.1259 28.5995 178.8948 182 Q 4.1223 8.6573 119.1657 58.4383 28.8168 178.3412 183 A 4.1544 7.9896 121.5086 55.1493 18.4873 179.0739 184 Q 3.8003 8.5911 118.3975 59.4619 29.1303 178.2760 185 E 3.8897 8.1887 119.9173 59.3040 29.3182 178.6793 186 A 3.9289 8.1118 120.7803 55.2939 18.3391 179.2867 187 H 4.0188 8.6197 115.0132 58.9800 28.7620 177.8964 188 A 4.0311 8.1752 122.6092 54.9949 18.1568 179.4874 189 L 4.0370 7.6198 117.5977 58.1799 42.1307 179.2802 190 I 3.7595 7.4968 119.5926 64.2513 36.9834 178.2534 191 R 3.8517 8.0778 119.4281 59.6100 29.8975 178.2936 192 S 4.1143 8.4604 115.3574 61.6219 62.8366 176.8009 193 W 3.9703 8.2119 130.4411 60.5950 30.4228 178.1644 194 V 3.2421 8.0446 118.2114 65.8682 29.2997 177.9007 195 S 3.8747 8.3128 113.3408 61.2992 61.9736 176.2895 196 S 4.2442 7.8508 116.9750 61.0431 62.8546 176.2317 197 K 3.8340 7.4713 120.0580 57.6993 31.9668 177.8157 198 I 3.9056 8.8430 118.8819 61.7280 38.5152 175.7974 199 G 4.2077 6.2302 109.8821 43.8743 0.0000 173.4599 200 A 4.1889 7.9279 123.5553 54.4555 18.1214 180.0507 201 D 4.2058 7.8507 116.9606 56.7088 40.0337 178.3132 202 V 3.6598 7.6880 119.9371 65.1506 31.4319 177.4191 203 A 4.0016 8.3475 120.8096 55.4046 17.9874 179.9089 204 G 3.6491 8.1458 102.7257 47.2767 0.0000 174.6670 205 E 4.6151 7.6384 117.4150 54.7645 29.9355 175.4603 206 L 4.2584 7.1290 122.3964 54.3939 42.7374 176.2998 207 R 4.4965 8.7001 125.7974 55.8751 31.3695 175.6464 208 I 4.6678 9.0980 127.0379 59.7485 38.8591 175.3511 209 L 4.9394 9.6606 129.1844 54.0701 43.9086 175.5225 210 Y 5.0339 8.8980 124.1684 56.1491 40.1756 176.1024 211 G 4.8672 8.7849 117.3496 46.2875 0.0000 173.2679 212 G 3.6930 5.9337 111.8587 43.4742 0.0000 173.4839 213 S 4.2323 8.4709 116.3372 57.9820 62.1707 174.6642 214 V 4.7276 8.2480 127.3426 61.0956 34.6150 174.0631 215 N 5.0572 9.6745 124.2974 51.5071 39.9198 174.7037 216 G 3.6337 8.6801 105.4226 48.7345 0.0000 175.1606 217 K 4.2073 8.8555 118.8400 57.8968 32.4691 177.1910 218 N 4.9549 8.0480 113.5367 51.7252 39.1273 176.1764 219 A 3.9002 8.0526 121.5901 55.3601 18.3537 179.0892 220 R 3.9561 8.0861 116.5797 60.1812 29.9000 178.2713 221 T 3.9086 7.9909 113.9447 66.9138 68.6765 175.9930 222 L 4.1097 8.1078 120.4886 58.0872 41.5126 179.0569 223 Y 4.0645 8.4547 118.2972 60.3616 38.8083 177.2862 224 Q 4.0296 7.9309 117.4235 56.5349 29.2676 176.5057 225 Q 4.0391 7.2565 120.6423 55.3778 29.4969 176.9324 226 R 3.7747 8.6363 122.6363 59.4747 29.8885 176.8227 227 D 4.7087 8.0350 113.4164 53.8618 41.4467 176.1707 228 V 4.1818 7.0612 120.0100 61.8188 32.4933 175.2502 229 N 5.0170 9.6626 123.7561 52.1176 39.5849 174.4604 230 G 3.9379 7.0446 105.8806 44.0099 0.0000 172.5663 231 F 5.4889 8.6477 117.5533 55.7164 43.7257 173.9765 232 L 5.1228 8.8143 124.4756 53.7197 43.8623 175.5091 233 V 4.8191 8.8585 119.2431 59.4087 36.4921 175.1089 234 G 4.2052 8.4264 108.1963 45.9892 0.0000 173.0569 *238 L 4.3547 8.2049 122.6018 54.9263 42.8836 175.7147 239 K 4.9034 8.3431 124.3807 53.8986 36.2804 175.9784 240 P 4.3974 0.0000 0.0000 65.7010 31.5423 178.3880 241 E 4.1176 8.2691 116.1322 57.3380 29.9819 178.2354 242 F 4.4478 8.6544 122.2682 61.3988 39.2632 176.9194 243 V 3.6360 7.6670 117.6218 66.0867 31.2304 177.6393 244 D 4.4151 8.0456 118.3149 56.7098 40.4846 178.8799 245 I 3.4319 7.3422 119.4786 64.1444 37.4882 177.7234 246 I 3.5388 7.5202 120.9567 64.5345 36.7278 178.3399 247 K 3.8246 7.4505 116.9452 59.6226 32.0248 178.7171 248 A 4.2213 7.8546 119.9138 53.8630 17.9220 178.1440 249 T 3.2288 7.7619 108.2910 61.6602 69.4047 174.8391 250 Q 4.2628 7.4638 126.3238 56.7244 28.9631 175.4894 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 S 8.33 4.41 0.00 3.85 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 3 K 8.34 4.43 0.00 1.87 1.72 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.44 7.81 4 P 0.00 4.48 0.00 2.23 2.12 0.00 3.81 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 2.04 2.00 0.00 5 Q 8.58 4.00 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 6 P 0.00 4.91 0.00 2.05 2.24 0.00 3.79 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 2.03 2.08 0.00 7 I 8.52 4.95 1.97 0.00 0.00 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 1.26 0.84 0.92 0.00 0.00 8 A 9.22 4.77 0.98 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 9 A 9.88 5.25 1.25 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 0.00 0.00 0.00 10 A 8.81 4.71 0.17 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 11 N 10.10 5.07 0.00 2.85 2.63 0.00 0.00 6.52 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 12 W 8.79 4.98 0.00 3.36 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 13 K 8.21 4.02 0.00 1.81 1.69 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.29 1.01 7.81 *19 D 7.65 4.51 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 20 S 8.25 4.72 0.00 3.89 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 21 L 8.28 3.17 0.00 1.02 1.25 -0.38 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.89 3.94 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 23 E 7.69 3.80 0.00 2.01 2.03 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 2.21 2.29 0.00 24 L 7.63 3.56 0.00 1.63 1.14 1.05 0.78 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 25 I 7.58 3.54 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.66 0.81 0.00 0.00 26 D 7.84 4.23 0.00 2.66 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 27 L 7.20 4.00 0.00 1.54 1.29 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.52 4.52 0.00 2.71 2.37 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 29 N 8.36 4.43 0.00 2.79 2.86 0.00 0.00 6.93 7.37 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 30 S 7.51 4.71 0.00 4.03 4.03 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 31 T 7.57 4.46 4.51 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 1.29 0.00 0.00 32 S 8.63 4.52 0.00 3.88 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 33 I 8.43 4.36 1.90 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.88 0.00 0.00 34 N 8.81 4.84 0.00 2.71 2.84 0.00 0.00 6.95 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.56 5.29 0.00 3.90 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 44 T 8.57 4.50 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 1.45 0.00 0.00 45 F 8.86 4.46 0.00 3.26 3.23 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 46 V 7.67 3.21 1.87 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 0.55 0.00 0.00 0.72 0.00 0.00 47 H 8.03 4.85 0.00 3.18 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.76 4.13 0.00 2.03 1.93 1.17 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.17 4.37 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 0.00 0.00 50 M 8.05 4.16 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 51 T 7.72 3.82 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 1.18 0.00 0.00 52 K 8.00 4.07 0.00 1.75 1.83 0.00 1.39 0.00 0.00 0.73 0.00 0.00 2.62 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.30 7.81 53 E 7.70 4.03 0.00 2.36 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 0.00 2.31 2.36 0.00 54 R 7.33 4.43 0.00 1.82 1.87 0.00 3.33 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 55 L 7.82 4.08 0.00 1.59 1.61 0.65 0.87 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 56 S 9.02 4.62 0.00 3.93 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 57 H 8.13 4.38 0.00 3.09 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.31 0.00 2.12 2.14 0.00 3.52 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 2.00 2.11 0.00 59 K 8.38 4.30 0.00 1.76 1.70 0.00 1.59 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.57 7.81 60 F 8.10 5.09 0.00 3.03 2.90 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 61 V 8.55 4.69 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 0.90 0.00 0.00 0.13 0.00 0.00 62 I 8.33 5.03 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.72 0.94 0.00 0.00 63 A 8.96 5.28 1.42 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 0.00 0.00 64 A 8.83 5.01 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 65 Q 8.07 4.80 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.14 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 66 N 9.27 3.95 0.00 2.74 2.79 0.00 0.00 7.01 7.43 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 67 A 7.65 3.97 1.07 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.37 0.72 0.00 0.00 92 V 8.85 4.88 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 1.04 0.00 0.00 1.02 0.00 0.00 93 L 8.58 4.86 0.00 1.51 1.41 0.77 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.77 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 95 H 7.97 4.48 0.00 3.17 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.59 4.10 0.00 4.20 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 0.00 97 E 8.16 4.18 0.00 2.24 2.30 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 2.59 2.43 0.00 98 R 8.08 4.21 0.00 1.94 1.95 0.00 3.38 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 99 R 7.34 3.87 0.00 0.67 0.66 0.00 2.91 0.00 0.00 2.68 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.38 0.00 100 W 7.53 5.11 0.00 3.31 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 0.00 101 Y 7.85 4.37 0.00 2.94 2.75 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 0.00 102 Y 7.98 3.98 0.00 3.22 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 0.00 103 G 7.48 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 0.00 0.00 0.00 104 E 8.89 3.99 0.00 1.88 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 2.30 2.43 0.00 105 T 8.14 4.50 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 1.25 0.00 0.00 106 N 8.62 4.20 0.00 2.75 2.92 0.00 0.00 6.82 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 0.00 107 E 8.10 3.99 0.00 2.04 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 2.40 2.46 0.00 108 I 7.46 3.70 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.90 0.00 0.00 109 V 8.07 3.48 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 1.03 0.00 0.00 0.88 0.00 0.00 110 A 8.26 3.94 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 0.00 111 D 8.27 4.25 0.00 2.73 2.68 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 0.00 112 K 8.01 3.84 0.00 1.90 1.75 0.00 1.66 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.46 7.81 113 V 8.06 3.41 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 0.75 0.00 0.00 0.90 0.00 0.00 114 A 8.03 3.91 1.27 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 0.00 0.00 115 A 7.95 3.89 1.27 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 0.00 0.00 116 A 8.11 3.92 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 0.00 117 V 8.23 3.48 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 0.93 0.00 0.00 0.80 0.00 0.00 118 A 8.25 4.13 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 0.00 119 S 7.76 4.75 0.00 4.14 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 0.00 120 G 8.17 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 0.00 121 F 8.05 4.82 0.00 2.97 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 0.00 122 M 8.47 4.09 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.09 0.00 123 V 8.33 4.67 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 0.92 0.00 0.00 0.84 0.00 0.00 124 I 8.87 4.83 2.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.92 1.02 0.00 0.00 125 A 8.77 4.83 1.21 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 0.00 0.00 0.00 126 C 9.30 5.24 0.00 3.09 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 0.00 127 I 8.63 4.73 1.94 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 1.47 1.06 0.94 0.00 0.00 128 G 8.26 4.96 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 0.00 129 E 8.24 5.17 0.00 2.10 2.17 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 2.57 2.62 0.00 130 T 8.68 4.81 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 0.68 0.00 0.00 131 L 8.54 4.14 0.00 1.89 1.74 1.18 0.76 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 0.00 132 Q 7.97 3.95 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 133 E 8.11 3.91 0.00 2.21 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 0.00 2.28 2.22 0.00 134 R 8.46 3.79 0.00 1.78 1.73 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.26 0.00 135 E 8.40 4.10 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 136 S 7.56 4.57 0.00 3.95 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 0.00 137 G 7.84 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 0.00 138 R 7.95 4.56 0.00 1.91 1.89 0.00 3.14 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 139 T 8.16 4.30 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 1.27 0.00 0.00 140 A 7.94 4.01 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 0.00 141 V 7.70 3.58 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 0.82 0.00 0.00 0.94 0.00 0.00 142 V 8.02 3.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.99 0.00 0.00 143 V 8.22 3.68 2.34 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 1.03 0.00 0.00 1.17 0.00 0.00 144 L 8.23 3.65 0.00 1.58 1.16 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 145 T 7.73 3.91 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 146 Q 8.09 4.00 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 147 I 7.36 3.78 1.75 0.00 0.00 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 1.65 1.51 -0.01 0.00 0.00 148 A 7.55 4.09 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 0.00 149 A 7.60 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.34 3.79 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 0.75 0.00 0.00 151 A 9.07 4.37 2.03 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 0.00 0.00 152 K 8.56 4.05 0.00 1.84 2.20 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.54 7.81 153 K 7.90 4.39 0.00 1.94 1.79 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.51 7.81 154 L 7.64 4.69 0.00 1.72 1.39 -0.00 0.54 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 0.00 155 K 9.28 4.52 0.00 2.00 1.76 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.38 7.81 156 K 8.73 4.10 0.00 1.84 1.87 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.49 7.81 157 A 8.08 4.23 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 0.00 158 D 8.15 4.35 0.00 2.72 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 0.00 159 W 8.06 4.26 0.00 3.61 3.33 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 0.00 160 A 7.89 4.15 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 0.00 161 K 8.42 4.24 0.00 1.75 1.80 0.00 1.49 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.43 7.81 162 V 7.52 4.72 2.01 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 0.58 0.00 0.00 0.60 0.00 0.00 163 V 9.18 4.65 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 1.16 0.00 0.00 1.08 0.00 0.00 164 I 8.60 5.07 2.01 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 1.40 1.27 1.03 0.00 0.00 165 A 8.77 5.34 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 0.00 166 Y 9.41 5.00 0.00 3.06 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 0.00 167 E 8.91 4.51 0.00 1.90 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 2.15 2.13 0.00 168 P 0.00 4.95 0.00 1.36 2.46 0.00 3.48 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 169 V 7.77 3.44 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 1.11 0.00 0.00 1.06 0.00 0.00 170 W 8.07 4.33 0.00 3.65 3.31 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 0.00 171 A 7.26 4.19 0.21 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 0.00 0.00 0.00 172 I 7.98 4.08 1.78 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 1.16 0.70 0.79 0.00 0.00 173 G 9.06 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 0.00 174 T 7.87 4.36 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 1.24 0.00 0.00 175 G 8.64 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 0.00 176 K 7.75 4.66 0.00 1.79 1.58 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.31 1.22 7.81 177 V 8.31 4.36 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 1.02 0.00 0.00 0.95 0.00 0.00 178 A 8.41 5.07 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 0.00 179 T 9.23 4.64 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 180 P 0.00 4.30 0.00 2.16 2.11 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 2.12 2.18 0.00 181 Q 7.65 3.99 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 182 Q 8.66 4.12 0.00 2.44 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 183 A 7.99 4.15 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 Q 8.59 3.80 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 185 E 8.19 3.89 0.00 2.08 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 2.27 2.31 0.00 186 A 8.11 3.93 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 0.00 187 H 8.62 4.02 0.00 3.28 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.18 4.03 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 0.00 189 L 7.62 4.04 0.00 1.81 1.82 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 190 I 7.50 3.76 2.01 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 1.44 0.46 1.02 0.00 0.00 191 R 8.08 3.85 0.00 1.92 1.93 0.00 3.19 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 192 S 8.46 4.11 0.00 4.14 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 0.00 193 W 8.21 3.97 0.00 3.52 3.40 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 0.00 194 V 8.04 3.24 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 0.44 0.00 0.00 1.11 0.00 0.00 195 S 8.31 3.87 0.00 3.83 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 S 7.85 4.24 0.00 3.64 3.77 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 0.00 197 K 7.47 3.83 0.00 0.79 1.24 0.00 1.48 0.00 0.00 1.41 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.53 0.21 7.81 198 I 8.84 3.91 1.40 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 0.66 -0.02 0.36 0.00 0.00 199 G 6.23 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 0.00 0.00 0.00 0.00 200 A 7.93 4.19 1.27 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 0.00 0.00 201 D 7.85 4.21 0.00 2.82 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 0.00 202 V 7.69 3.66 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 0.70 0.00 0.00 0.84 0.00 0.00 203 A 8.35 4.00 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 0.00 204 G 8.15 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 0.00 205 E 7.64 4.62 0.00 1.99 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 2.29 2.44 0.00 206 L 7.13 4.26 0.00 1.77 1.75 1.25 1.49 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 0.00 207 R 8.70 4.50 0.00 1.97 1.98 0.00 3.42 0.00 0.00 3.42 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 208 I 9.10 4.67 2.19 0.00 0.00 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 1.33 0.95 0.87 0.00 0.00 209 L 9.66 4.94 0.00 1.60 1.69 1.05 0.64 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 0.00 210 Y 8.90 5.03 0.00 3.15 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 0.00 211 G 8.78 4.87 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 0.00 212 G 5.93 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 0.00 213 S 8.47 4.23 0.00 3.81 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 0.00 214 V 8.25 4.73 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 0.55 0.00 0.00 1.41 0.00 0.00 215 N 9.67 5.06 0.00 2.88 2.90 0.00 0.00 6.53 7.11 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 0.00 216 G 8.68 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 K 8.86 4.21 0.00 1.86 1.89 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.38 7.81 218 N 8.05 4.95 0.00 2.85 3.02 0.00 0.00 6.15 7.26 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 0.00 219 A 8.05 3.90 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 0.00 220 R 8.09 3.96 0.00 1.97 2.00 0.00 3.29 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 221 T 7.99 3.91 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 1.23 0.00 0.00 222 L 8.11 4.11 0.00 2.23 1.92 1.10 0.25 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 0.00 223 Y 8.45 4.06 0.00 3.28 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 0.00 224 Q 7.93 4.03 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 225 Q 7.26 4.04 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.68 0.00 0.00 0.00 0.00 0.00 2.60 2.34 0.00 226 R 8.64 3.77 0.00 1.71 1.94 0.00 3.18 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 227 D 8.03 4.71 0.00 2.83 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 0.00 228 V 7.06 4.18 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 0.64 0.00 0.00 0.61 0.00 0.00 229 N 9.66 5.02 0.00 2.98 2.82 0.00 0.00 6.62 7.18 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 0.00 230 G 7.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 F 8.65 5.49 0.00 3.13 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 0.00 232 L 8.81 5.12 0.00 1.85 1.59 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 233 V 8.86 4.82 2.17 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 0.85 0.00 0.00 1.03 0.00 0.00 234 G 8.43 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 0.00 0.00 0.00 0.00 *238 L 8.20 4.35 0.00 1.86 2.19 1.19 0.65 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 0.00 239 K 8.34 4.90 0.00 1.90 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.50 7.81 240 P 0.00 4.40 0.00 2.23 2.13 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 241 E 8.27 4.12 0.00 2.15 2.03 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 2.43 2.39 0.00 242 F 8.65 4.45 0.00 3.29 3.25 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 0.00 243 V 7.67 3.64 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 1.02 0.00 0.00 1.25 0.00 0.00 244 D 8.05 4.42 0.00 2.87 2.65 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 0.00 245 I 7.34 3.43 1.94 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 1.18 0.28 0.66 0.00 0.00 246 I 7.52 3.54 1.73 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.13 0.65 0.00 0.00 247 K 7.45 3.82 0.00 1.75 1.82 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.55 7.81 248 A 7.85 4.22 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 0.00 249 T 7.76 3.23 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 1.06 0.00 0.00 250 Q 7.46 4.26 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 * Residues marked with a * may have inaccurate shift predictions.