NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 V 4.0843 8.0544 120.3176 61.5909 32.7816 173.6162 9 R 4.3606 8.2004 119.5078 53.8019 31.6619 173.4372 10 I 4.0596 8.4685 127.3814 61.6584 38.3185 175.5922 11 T 4.6721 8.3178 117.0023 61.5157 69.4399 174.9542 12 Q 4.1340 7.9892 120.4183 57.8091 29.6030 176.6963 13 G 4.1024 8.6185 107.5702 45.5775 0.0000 174.1877 14 T 3.7789 8.4910 117.9794 65.5030 68.6622 175.6441 15 F 5.1256 7.8018 118.8106 57.4244 39.8986 176.4699 16 S 4.5438 8.4184 115.7589 59.9485 62.8527 174.9454 17 F 4.2565 8.3349 118.1273 57.8789 39.2756 175.5474 18 L 4.6483 7.6820 120.8780 52.2291 43.1376 174.5802 19 P 4.3793 0.0000 0.0000 62.5771 31.7706 176.3776 20 D 4.4561 8.5581 120.5545 54.3862 41.0833 176.8186 21 L 4.2559 8.5193 124.8769 54.9660 42.3756 177.8375 22 T 4.2333 8.9421 114.1793 61.3204 70.9918 175.4545 23 D 4.3708 8.7727 122.0014 57.7927 40.7260 179.1271 24 E 3.9097 8.1012 119.1205 59.4725 29.9023 178.7926 25 Q 3.9457 7.6765 117.5408 58.8645 28.6448 178.7451 26 I 3.7697 8.0598 121.1709 64.1926 37.1560 178.1638 27 K 3.9062 8.2993 120.6575 59.7740 32.1194 178.9364 28 K 4.2816 7.8140 119.3755 59.0264 31.8760 179.4419 29 Q 4.0714 7.9462 118.1090 58.9088 28.4998 178.6852 30 I 3.9045 8.2428 121.2112 64.4320 37.1565 178.0719 31 D 4.4005 8.4054 119.9212 57.4703 40.7404 178.2584 32 Y 4.3025 7.8437 120.7658 60.5709 38.8642 178.0600 33 M 3.9679 8.3658 119.5661 58.4974 32.0610 178.9068 34 I 3.7702 8.1675 120.5109 64.3209 36.9489 178.6549 35 S 4.2196 8.3805 115.0505 60.5485 62.5507 175.5707 36 K 4.2885 7.4123 119.7346 54.6739 32.3980 176.3361 37 K 3.8424 7.7834 117.4502 57.3708 30.2326 175.1519 38 L 4.7570 7.6769 116.3814 53.9145 43.3166 177.4910 39 A 4.3685 8.8415 124.1922 51.7483 20.0088 176.4022 40 I 4.8005 8.6107 123.4023 59.4346 39.8226 175.1657 41 G 4.4605 9.1790 113.8118 44.3336 0.0000 171.4968 42 I 5.1317 8.3451 121.6218 59.3472 40.3823 174.5033 43 E 5.5867 9.2669 125.7048 54.9822 34.0055 174.2839 44 Y 6.3000 9.1583 118.8957 56.2730 42.0141 173.7121 45 T 4.9838 8.3219 109.1535 60.8711 72.0916 172.8558 46 N 5.2018 8.6559 117.6239 52.5949 37.6860 174.4492 47 D 4.5965 7.6423 119.0766 53.1330 41.6398 175.0501 48 I 4.0132 7.5983 124.4855 60.2376 38.1450 176.6852 49 H 4.6438 7.4864 120.0680 56.1843 30.6383 172.7725 50 P 4.3390 0.0000 0.0000 66.2120 31.1273 177.1876 51 R 4.0906 7.8637 115.1203 56.6891 30.0801 175.2665 *64 N 5.0282 8.0261 115.8659 53.3709 38.6054 173.4177 65 A 3.8387 8.2050 126.5623 53.6315 18.8141 177.1135 66 Y 4.7410 7.6633 112.3474 55.9685 38.7702 175.3130 67 W 4.6443 8.6713 124.3670 55.8608 30.7338 175.9875 68 E 4.1272 8.7454 121.5711 56.4219 29.9673 176.4911 69 I 4.3212 8.2363 124.7184 60.6374 38.5150 175.9036 70 W 4.5783 9.4091 135.0000 56.3010 29.7416 177.7158 71 G 3.6771 8.4876 119.0295 45.9213 0.0000 171.1721 72 L 4.7420 8.1462 125.0714 51.7365 44.7587 174.4252 73 P 4.1584 0.0000 0.0000 63.1102 31.4397 175.7722 74 L 4.1350 8.6119 122.8145 54.5304 41.3979 177.3962 75 F 4.1639 8.6636 123.4926 59.1655 39.5092 176.3953 76 D 4.7551 7.9858 128.5396 52.8294 40.5085 175.5707 77 V 4.3453 8.1599 123.7552 61.4126 33.0715 175.3919 78 T 4.3176 8.6198 122.9817 64.0173 70.5033 173.9873 79 D 4.8555 7.7910 121.6087 51.5219 42.5311 174.5749 80 P 4.3191 0.0000 0.0000 66.2637 30.8395 178.1094 81 A 4.0755 8.3116 119.5337 54.8338 18.3481 179.2615 82 A 4.0009 7.9797 119.2494 55.3356 18.4009 180.0945 83 V 3.6322 7.7833 116.2753 66.1119 31.6977 177.9114 84 L 4.0053 8.0847 118.8016 57.8381 41.3848 179.2227 85 F 4.1623 8.5793 120.5927 61.6328 39.2672 177.1573 86 E 4.0028 8.3045 117.5762 59.2277 29.1310 179.4457 87 I 3.5381 7.9528 120.1125 64.5190 37.2106 178.2889 88 N 4.1859 8.4067 117.4033 55.9738 38.2928 177.4326 89 A 3.7285 7.8591 122.6495 55.0054 18.4205 179.2531 90 C 2.0000 7.4983 117.2375 62.0275 31.2541 175.9132 91 R 3.7545 7.4973 118.5267 59.0617 29.6312 178.7238 92 K 3.9505 7.6800 118.3309 59.3409 32.3305 178.4566 93 A 4.1702 7.5716 119.3965 53.2691 19.7320 177.6126 94 R 4.4169 7.8065 115.8855 54.9616 30.4623 176.6715 95 S 4.1752 8.0420 115.1433 60.7469 63.9736 175.6068 96 N 4.9058 7.5173 114.6961 52.2194 36.9136 173.6218 97 F 4.7614 7.5327 114.4905 56.7160 44.1344 175.2395 98 Y 4.5132 8.9619 118.6639 57.4436 39.2825 174.9728 99 I 5.5745 8.9099 124.5438 59.4823 41.1755 174.6958 100 K 5.0114 9.3965 124.3673 55.1600 36.6008 174.9230 101 V 4.6337 7.9245 121.3613 61.0798 33.8962 174.5015 102 V 4.7583 8.8270 127.4710 60.9333 34.8351 174.2020 103 G 4.4610 8.9863 114.0696 44.4352 0.0000 171.3210 104 F 5.3428 9.3038 128.3219 56.3864 42.4008 173.9770 105 S 5.0183 8.0364 120.1309 56.6082 64.3673 174.4416 106 S 4.6977 8.9569 122.0746 58.7865 63.2099 174.5668 107 V 3.6782 7.3025 121.4083 62.5643 31.9198 176.3658 107A R 4.1045 8.4478 127.4824 58.9790 29.7710 177.8058 107B G 3.6669 8.0406 103.8404 47.4222 0.0000 173.1261 108 I 3.9116 7.2418 120.0076 59.1001 39.1643 175.4865 109 E 3.7458 7.7092 117.7368 55.4743 27.4284 172.9993 110 S 4.3624 6.1553 111.3643 57.4847 66.7539 173.4395 111 T 4.6370 8.4305 118.4672 63.4960 68.4382 175.0359 112 I 4.4562 8.6850 118.6865 60.6736 38.9922 175.2029 113 I 4.5759 7.5097 122.2474 60.3924 41.7380 173.3148 114 S 5.5558 8.9348 123.4720 57.8202 65.7765 172.8214 115 F 5.3159 8.1590 121.4220 55.1245 41.5921 173.6095 116 I 4.5017 8.6939 121.9579 61.6115 37.4410 176.1339 117 V 4.5179 8.7328 119.1872 61.1135 33.1074 175.2171 118 N 4.8382 7.7719 118.1436 52.6457 42.2085 173.1762 119 R 4.4164 8.2594 123.7052 53.1192 32.6888 173.4890 120 P 4.1823 0.0000 0.0000 62.3164 31.8362 177.4474 121 K 4.1648 8.3845 118.7190 59.4543 32.1779 177.3463 122 H 4.6702 7.6598 117.1999 54.5922 32.7417 171.8262 123 E 4.6639 8.5014 127.8970 53.8651 30.1555 173.3431 124 P 4.3137 0.0000 0.0000 65.9252 32.2674 175.1789 125 G 4.0273 8.0348 103.0418 43.7580 0.0000 172.0317 126 F 5.0570 8.7252 117.7326 55.6470 42.9632 174.1700 127 N 4.8819 8.6329 120.4064 51.3974 40.9781 173.3854 128 L 5.1462 8.5449 126.5190 53.7030 44.6332 175.0399 129 M 4.6091 9.1722 126.6964 53.9841 34.3196 175.5506 130 R 4.1087 8.5649 122.0148 54.3372 32.2189 174.0900 131 Q 4.3355 8.5174 126.1044 54.7761 30.6517 174.3837 132 E 4.3578 8.7154 126.4513 55.5787 30.0257 175.6231 133 D 4.9311 8.6808 124.8884 53.8793 41.9096 176.4263 134 K 4.1885 8.6097 116.5663 57.4164 34.2060 177.0065 135 S 3.5392 8.6565 119.1255 60.1813 62.2062 173.2913 136 R 4.5283 8.9485 124.4497 56.7266 30.6320 175.8043 137 S 4.4546 8.1903 116.1234 58.5473 63.9162 173.3560 138 I 4.8461 8.2350 123.4955 59.3605 40.6014 174.7636 139 K 4.5573 8.5513 124.7605 54.9661 34.2062 174.8850 140 Y 5.7255 8.6194 121.9807 55.9025 40.5820 175.2367 141 T 4.7111 8.5054 118.3873 61.9441 72.1862 172.6363 142 I 4.9542 8.5602 127.0357 59.9645 39.4399 174.7712 143 H 4.9541 9.0080 126.1394 54.3508 33.6694 172.8307 144 S 4.0781 8.5085 120.5102 57.9901 63.9437 174.6561 145 Y 4.4479 8.3083 121.8451 61.4498 38.0231 178.8471 146 E 3.9169 8.0707 118.6502 59.3505 29.6222 178.3739 147 S 4.5941 7.4879 112.6183 59.1033 62.3438 174.3928 148 Y 4.5218 7.7829 118.1940 58.2452 38.3105 175.8288 149 K 4.6019 7.6870 119.8763 53.4907 34.1660 174.6676 150 P 4.3465 0.0000 0.0000 62.7224 31.6051 176.6260 151 E 3.8498 9.1138 121.7077 59.6963 29.3890 178.7351 152 D 4.5866 8.0995 114.9189 54.9888 39.7194 176.2735 153 E 4.5813 8.3391 118.8199 56.0754 30.1703 175.5826 154 R 4.1996 7.4766 118.2893 56.0368 31.2764 176.2521 155 Y 3.9517 8.2270 119.1103 58.6586 38.4201 169.6457 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 8 V 8.05 4.08 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 1.01 0.00 0.00 1.01 0.00 0.00 9 R 8.20 4.36 0.00 1.80 1.75 0.00 3.19 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.73 0.00 10 I 8.47 4.06 1.92 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.69 0.90 0.00 0.00 11 T 8.32 4.67 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 0.98 0.00 0.00 12 Q 7.99 4.13 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 13 G 8.62 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 0.00 0.00 0.00 0.00 14 T 8.49 3.78 3.26 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 0.45 0.00 0.00 15 F 7.80 5.13 0.00 3.07 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 16 S 8.42 4.54 0.00 4.00 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 17 F 8.33 4.26 0.00 3.00 3.17 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 18 L 7.68 4.65 0.00 1.88 1.63 0.93 1.11 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 19 P 0.00 4.38 0.00 2.04 2.00 0.00 3.70 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 2.04 2.13 0.00 20 D 8.56 4.46 0.00 2.68 2.66 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 21 L 8.52 4.26 0.00 1.69 1.59 0.78 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.94 4.23 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 1.20 0.00 0.00 23 D 8.77 4.37 0.00 2.72 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 24 E 8.10 3.91 0.00 1.99 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 0.00 2.38 2.34 0.00 25 Q 7.68 3.95 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 26 I 8.06 3.77 2.09 0.00 0.00 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 1.64 0.85 1.10 0.00 0.00 27 K 8.30 3.91 0.00 1.99 2.05 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.67 7.81 28 K 7.81 4.28 0.00 1.93 1.81 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 29 Q 7.95 4.07 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.26 1.82 0.00 30 I 8.24 3.90 2.12 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 1.67 1.07 0.99 0.00 0.00 31 D 8.41 4.40 0.00 2.95 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.84 4.30 0.00 3.10 3.26 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 33 M 8.37 3.97 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.77 0.00 34 I 8.17 3.77 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.02 0.99 0.00 0.00 35 S 8.38 4.22 0.00 4.01 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.41 4.29 0.00 1.44 1.69 0.00 1.36 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 0.95 7.81 37 K 7.78 3.84 0.00 1.86 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 L 7.68 4.76 0.00 1.57 1.74 0.93 0.86 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 39 A 8.84 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.61 4.80 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.96 0.93 0.00 0.00 41 G 9.18 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 0.00 0.00 0.00 0.00 42 I 8.35 5.13 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 0.90 0.00 0.00 43 E 9.27 5.59 0.00 1.90 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 0.00 2.28 2.24 0.00 44 Y 9.16 6.30 0.00 3.13 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 45 T 8.32 4.98 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 1.00 0.00 0.00 46 N 8.66 5.20 0.00 2.81 2.35 0.00 0.00 5.74 8.06 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 47 D 7.64 4.60 0.00 2.49 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.60 4.01 1.69 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 0.57 0.36 0.08 0.00 0.00 49 H 7.49 4.64 0.00 3.35 3.25 0.00 5.78 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.34 0.00 2.09 2.05 0.00 3.38 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 51 R 7.86 4.09 0.00 1.98 2.01 0.00 3.29 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 *64 N 8.03 5.03 0.00 2.73 3.00 0.00 0.00 7.31 7.96 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 65 A 8.21 3.84 0.68 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 66 Y 7.66 4.74 0.00 3.05 2.95 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 67 W 8.67 4.64 0.00 3.29 3.26 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 68 E 8.75 4.13 0.00 1.16 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 2.20 2.25 0.00 69 I 8.24 4.32 2.02 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 1.26 0.50 1.04 0.00 0.00 70 W 9.41 4.58 0.00 3.62 3.26 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 71 G 8.49 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 72 L 8.15 4.74 0.00 1.54 1.54 0.92 0.91 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 73 P 0.00 4.16 0.00 1.41 1.80 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 74 L 8.61 4.14 0.00 1.71 1.65 1.01 1.23 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 75 F 8.66 4.16 0.00 3.12 3.08 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 0.00 0.00 0.00 76 D 7.99 4.76 0.00 2.71 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 77 V 8.16 4.35 2.12 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 0.86 0.00 0.00 0.96 0.00 0.00 78 T 8.62 4.32 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 79 D 7.79 4.86 0.00 2.74 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 80 P 0.00 4.32 0.00 2.34 2.36 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 81 A 8.31 4.08 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 82 A 7.98 4.00 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 83 V 7.78 3.63 2.27 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 1.19 0.00 0.00 0.99 0.00 0.00 84 L 8.08 4.01 0.00 1.97 1.80 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.58 4.16 0.00 3.23 3.35 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 86 E 8.30 4.00 0.00 2.33 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 0.00 2.72 2.67 0.00 87 I 7.95 3.54 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.88 0.86 0.00 0.00 88 N 8.41 4.19 0.00 2.80 2.73 0.00 0.00 6.97 6.89 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 89 A 7.86 3.73 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 90 C 7.50 2.00 0.00 1.63 2.41 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 91 R 7.50 3.75 0.00 1.80 1.85 0.00 3.12 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 92 K 7.68 3.95 0.00 1.82 1.83 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.53 7.81 93 A 7.57 4.17 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 94 R 7.81 4.42 0.00 1.24 1.00 0.00 2.21 0.00 0.00 2.50 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.50 0.00 95 S 8.04 4.18 0.00 3.85 3.88 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 96 N 7.52 4.91 0.00 2.98 2.85 0.00 0.00 6.77 7.31 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 97 F 7.53 4.76 0.00 2.92 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 98 Y 8.96 4.51 0.00 2.78 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 99 I 8.91 5.57 1.90 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.93 0.00 0.00 100 K 9.40 5.01 0.00 1.63 1.70 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.87 1.01 7.81 101 V 7.92 4.63 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 0.00 0.00 0.80 0.00 0.00 0.71 0.00 0.00 102 V 8.83 4.76 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 1.01 0.00 0.00 0.77 0.00 0.00 103 G 8.99 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 0.00 0.00 0.00 0.00 104 F 9.30 5.34 0.00 3.05 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 0.00 105 S 8.04 5.02 0.00 3.79 3.46 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 0.00 106 S 8.96 4.70 0.00 4.01 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 0.00 107 V 7.30 3.68 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 0.99 0.00 0.00 0.92 0.00 0.00 107A R 8.45 4.10 0.00 1.80 1.98 0.00 3.11 0.00 0.00 3.89 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 107B G 8.04 3.67 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 0.00 0.00 0.00 108 I 7.24 3.91 1.87 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 0.47 0.77 0.00 0.00 109 E 7.71 3.75 0.00 2.11 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 2.38 2.44 0.00 110 S 6.16 4.36 0.00 3.86 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.43 4.64 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 1.26 0.00 0.00 112 I 8.68 4.46 1.89 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 1.09 0.70 0.83 0.00 0.00 113 I 7.51 4.58 2.07 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 1.59 1.19 1.17 0.00 0.00 114 S 8.93 5.56 0.00 3.77 3.56 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 0.00 0.00 0.00 0.00 115 F 8.16 5.32 0.00 3.21 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 0.00 116 I 8.69 4.50 2.06 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 1.57 1.03 1.24 0.00 0.00 117 V 8.73 4.52 2.12 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 0.70 0.00 0.00 0.93 0.00 0.00 118 N 7.77 4.84 0.00 2.68 2.57 0.00 0.00 6.91 7.65 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 0.00 119 R 8.26 4.42 0.00 1.51 1.43 0.00 3.34 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 120 P 0.00 4.18 0.00 1.80 1.55 0.00 2.20 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 0.00 121 K 8.38 4.16 0.00 1.76 1.92 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.39 7.81 122 H 7.66 4.67 0.00 3.11 3.17 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.50 4.66 0.00 2.03 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 0.00 2.34 2.42 0.00 124 P 0.00 4.31 0.00 2.15 2.10 0.00 3.81 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 125 G 8.03 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 0.00 0.00 0.00 126 F 8.73 5.06 0.00 2.80 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 0.00 127 N 8.63 4.88 0.00 2.01 2.66 0.00 0.00 6.50 6.23 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 0.00 128 L 8.54 5.15 0.00 1.71 1.61 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 129 M 9.17 4.61 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 130 R 8.56 4.11 0.00 1.60 1.71 0.00 3.24 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 131 Q 8.52 4.34 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 132 E 8.72 4.36 0.00 1.86 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 2.26 2.26 0.00 133 D 8.68 4.93 0.00 2.51 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 0.00 0.00 0.00 0.00 134 K 8.61 4.19 0.00 1.85 1.71 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.45 7.81 135 S 8.66 3.54 0.00 3.96 3.17 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 0.00 136 R 8.95 4.53 0.00 1.78 1.93 0.00 3.37 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 137 S 8.19 4.45 0.00 3.90 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 0.00 138 I 8.24 4.85 1.45 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.67 0.05 0.00 0.00 139 K 8.55 4.56 0.00 1.58 1.68 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.51 7.81 140 Y 8.62 5.73 0.00 2.79 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 0.00 141 T 8.51 4.71 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 1.26 0.00 0.00 142 I 8.56 4.95 1.82 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.66 0.00 0.00 143 H 9.01 4.95 0.00 3.10 2.94 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.51 4.08 0.00 3.64 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.31 4.45 0.00 3.08 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 0.00 146 E 8.07 3.92 0.00 1.56 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 2.09 1.47 0.00 147 S 7.49 4.59 0.00 3.61 3.67 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 0.00 148 Y 7.78 4.52 0.00 3.22 2.94 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 0.00 149 K 7.69 4.60 0.00 1.78 1.68 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.36 7.81 150 P 0.00 4.35 0.00 2.39 2.20 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.97 0.00 151 E 9.11 3.85 0.00 2.04 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 0.00 2.49 2.47 0.00 152 D 8.10 4.59 0.00 2.86 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.34 4.58 0.00 2.02 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 0.00 2.22 2.23 0.00 154 R 7.48 4.20 0.00 1.60 1.32 0.00 3.16 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 155 Y 8.23 3.95 0.00 3.11 2.80 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.