NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4279 8.1633 120.3504 55.8155 34.0244 177.1889 2 S 4.1932 7.9643 112.4425 59.7973 62.6346 174.9063 3 D 4.3598 8.2496 122.6178 55.6928 41.7295 182.5707 4 V 4.3526 7.7412 116.3112 62.8966 32.0595 176.2069 5 A 4.3900 7.6753 121.0258 51.0882 19.9482 177.5770 6 I 4.3024 8.2176 120.9562 61.3241 37.2353 176.1666 7 V 4.0073 9.0251 127.8975 64.7291 32.7193 176.0688 8 K 4.4367 7.6968 118.4735 55.3859 35.1729 174.0183 9 E 5.8202 7.6721 122.9323 54.4932 32.9099 174.5061 10 G 3.9586 7.5075 107.1217 46.3045 0.0000 170.8842 11 W 5.4070 8.5684 119.7097 56.1445 30.6987 175.9266 12 L 4.5012 8.9385 121.6566 55.7488 44.0470 172.9046 13 H 5.5689 9.0682 116.7750 54.0148 31.4836 173.6545 14 K 4.9227 9.3950 124.8312 54.7518 34.0313 175.4140 15 R 3.6321 8.7217 128.8606 55.4951 30.5895 176.4347 16 G 3.7416 8.3990 115.5127 46.8881 0.0000 173.9898 17 E 4.1056 8.7724 117.9219 57.7264 30.3525 177.9073 18 Y 4.5433 7.7136 113.9790 57.2935 39.2767 175.5841 19 I 4.4173 7.3507 120.2585 58.7104 40.6161 174.3975 20 K 4.2231 8.3833 126.6047 56.5504 31.8567 175.7857 21 T 4.2407 7.1735 116.6533 61.2295 70.8735 171.4829 22 W 5.2591 8.8395 124.3407 54.9969 32.0752 175.0383 23 R 4.8663 9.4551 124.9493 53.8388 31.6006 174.2846 24 P 5.0099 0.0000 0.0000 63.2852 32.4536 175.8473 25 R 5.1089 9.3836 120.0735 55.3000 35.5679 173.1020 26 Y 4.4873 8.8645 123.8317 55.8266 40.7598 174.4140 27 F 5.2119 8.6266 125.3692 55.5998 42.5571 174.5159 28 L 5.4621 9.1433 121.5788 52.9778 45.4723 175.0869 29 L 5.5167 9.5267 125.7696 53.5742 44.3141 175.4354 30 K 5.1378 9.2786 125.9449 54.6815 34.4971 177.0266 31 N 4.5088 9.1298 121.6755 55.5784 39.1870 174.9938 32 D 4.7412 7.8479 116.6971 53.4301 40.2215 177.9006 33 G 4.0128 8.6005 107.6136 45.9197 0.0000 173.6183 34 T 4.6945 8.1031 117.7293 63.2727 69.9563 173.5804 35 F 5.8214 9.6633 128.7213 56.6851 41.9895 173.2642 36 I 4.6047 8.9085 120.3337 58.7648 40.3496 174.8803 37 G 2.9392 7.6157 111.0718 44.1096 0.0000 171.3178 38 Y 5.0259 8.3174 120.4602 56.3086 42.2895 177.5170 *39 K 4.0870 8.9058 121.9629 57.1774 32.1764 177.5063 40 E 5.0186 7.6844 114.3512 54.7834 33.6368 174.6095 41 R 2.9520 8.0718 120.8779 55.0523 30.2758 174.5251 42 P 4.0814 0.0000 0.0000 63.5921 31.5985 177.0336 43 Q 4.1680 9.0127 122.7243 56.6864 28.8068 171.6901 44 D 4.6701 7.3051 114.4084 51.6636 42.3589 175.3543 45 V 3.5415 8.4760 116.5211 66.7011 31.2817 178.5224 46 D 4.3408 8.0047 116.9188 57.6403 40.8695 178.5517 47 Q 4.1328 9.0314 117.3943 58.5376 28.4226 178.5001 48 R 4.0927 7.6337 119.4178 58.5490 30.0406 177.7725 49 E 4.1725 7.9780 115.6014 56.6386 30.8476 176.5336 50 A 4.7890 7.3033 121.2506 50.2821 18.9352 174.5905 51 P 3.5842 0.0000 0.0000 61.9553 32.7096 177.2362 52 L 4.1443 7.8452 120.4282 56.8049 42.4425 177.1387 53 N 4.8288 7.3058 114.3130 51.3848 42.8427 173.9111 54 N 4.7688 7.5449 120.1734 53.0191 41.1830 173.2097 55 F 5.4437 9.0709 124.8656 55.7501 43.6461 173.9758 56 S 5.1772 8.9482 114.4252 56.7145 64.1673 173.7690 57 V 4.4352 8.8643 119.7855 61.0774 32.1580 176.0908 58 A 4.0482 7.8405 124.8808 53.5415 18.7088 178.3228 59 Q 3.4159 8.5677 121.0500 57.0273 26.4035 173.3558 60 C 4.7664 7.9370 110.8529 57.4394 32.4347 172.7284 61 Q 4.7556 8.8911 118.0670 54.1639 31.1108 175.1572 62 L 5.2679 8.4802 121.8440 53.4361 44.5939 175.7126 63 M 4.9227 9.3254 123.8527 53.3320 35.6703 174.9765 64 K 5.2477 8.6776 120.4523 54.9963 35.3303 175.4324 65 T 4.8614 9.1155 113.7541 60.3378 72.7764 173.9826 66 E 4.8199 8.9630 117.9557 55.7957 31.2175 176.2393 67 R 4.7325 7.7763 117.9343 53.6400 32.9107 174.0580 68 P 4.4940 0.0000 0.0000 64.0828 32.0928 176.2589 69 R 4.5764 7.7090 117.8362 53.4696 32.2466 174.0971 70 P 4.5270 0.0000 0.0000 63.3328 32.2566 175.2011 71 N 4.2986 9.1121 114.6023 55.0180 36.6365 174.1590 72 T 5.3168 7.7589 113.4872 62.1733 71.3088 174.4705 73 F 5.4762 9.3860 119.0789 55.3337 41.9079 173.4420 74 I 4.9601 9.2812 121.2052 59.6374 40.6815 174.4714 75 I 5.0242 8.8219 128.7525 60.2355 40.3097 175.1876 76 R 5.0946 8.7598 127.9031 55.3263 31.6887 171.9010 77 C 5.0223 9.1964 118.9147 56.0284 34.1905 172.4234 78 L 4.8015 8.4960 121.1152 53.9724 42.6130 176.0839 79 Q 4.4957 9.4323 129.9212 54.5648 29.1763 176.7684 80 W 4.2068 9.3522 135.0000 57.6587 29.2417 174.3557 81 T 4.3443 8.9196 103.4323 61.0781 70.2054 174.0998 82 T 4.6438 7.7817 119.4255 61.9363 71.2384 173.5313 83 V 4.5145 8.4215 126.6209 62.5121 32.4985 174.9725 84 I 4.8170 9.3020 120.4757 59.2063 41.5748 173.6597 85 E 5.1474 8.6383 121.6012 54.6595 32.1808 175.7391 86 R 4.3950 8.7276 122.1929 54.4480 34.4279 174.3922 87 T 4.6168 7.6257 118.3988 61.6665 71.5678 173.1569 88 F 5.5231 8.6776 124.2487 55.9078 43.5490 173.5572 89 H 5.3981 9.2081 115.5207 54.2960 32.1542 172.6567 90 V 4.6537 8.3285 113.0030 59.6234 34.7199 175.4769 91 E 4.2095 9.1163 120.0633 59.0011 29.8369 177.9803 92 T 4.8143 8.3905 108.1984 58.3807 73.3654 173.1662 93 P 4.4287 0.0000 0.0000 65.7217 31.2755 178.6229 94 E 3.9744 8.1567 118.8792 59.3317 29.4752 178.7330 95 E 4.0880 8.2006 117.1675 59.0722 29.7215 179.0980 96 R 3.9760 8.1342 119.9914 59.4505 30.1188 178.3386 97 E 3.9517 8.2321 118.4140 59.3964 29.3857 179.2190 98 E 3.8586 7.8978 118.4583 59.0140 29.4093 179.4966 99 W 3.9760 8.0539 119.3292 59.8809 29.1555 178.8410 100 T 3.7567 8.0766 110.0458 64.7551 68.2457 176.9892 101 T 3.8551 8.0572 118.7259 66.2263 68.5358 176.7002 102 A 3.9139 7.8663 122.7613 55.0684 18.3575 179.7276 103 I 3.5383 7.8046 118.3603 64.5338 37.2262 178.3488 104 Q 3.9207 7.9485 120.2621 59.6357 28.8252 178.3946 105 T 3.8724 7.8810 116.6199 66.7496 68.4709 176.7309 106 V 3.5547 7.7819 119.6506 65.8231 31.5709 177.9198 107 A 4.0103 8.1471 120.6153 55.4165 18.2432 179.3596 108 D 4.4352 8.7730 117.8540 57.4425 40.6158 179.3320 109 G 3.6114 8.0286 105.6307 47.6201 0.0000 175.5624 110 L 4.2358 8.2506 123.7970 58.0281 41.5721 180.1619 111 K 4.0142 8.1529 126.0866 60.5928 31.5152 181.7904 112 K 4.2140 7.9735 123.4350 59.1127 31.8610 180.4538 113 Q 4.4110 8.0962 120.0869 59.5404 28.7766 177.7318 114 E 4.1307 8.7844 120.1175 59.3980 29.8596 184.6197 115 E 3.2495 8.3527 110.4570 56.7140 31.6294 182.3324 *116 E 4.2236 9.2962 113.5512 56.9634 30.4852 177.4732 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 M 8.16 4.43 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 2 S 7.96 4.19 0.00 4.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.25 4.36 0.00 2.37 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 4 V 7.74 4.35 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 0.92 0.00 0.00 0.95 0.00 0.00 5 A 7.68 4.39 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 6 I 8.22 4.30 1.89 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 1.26 0.88 1.02 0.00 0.00 7 V 9.03 4.01 2.19 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 0.66 0.00 0.00 0.97 0.00 0.00 8 K 7.70 4.44 0.00 1.48 1.12 0.00 1.18 0.00 0.00 0.78 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.72 7.81 9 E 7.67 5.82 0.00 2.05 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 2.20 2.23 0.00 10 G 7.51 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 11 W 8.57 5.41 0.00 3.24 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 12 L 8.94 4.50 0.00 1.84 1.66 1.03 -0.27 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 13 H 9.07 5.57 0.00 2.78 3.54 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.39 4.92 0.00 2.19 1.89 0.00 2.14 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.34 1.12 7.81 15 R 8.72 3.63 0.00 0.72 1.32 0.00 2.52 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.03 0.00 16 G 8.40 3.74 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 0.00 17 E 8.77 4.11 0.00 2.00 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 2.18 1.89 0.00 18 Y 7.71 4.54 0.00 2.95 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 19 I 7.35 4.42 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.36 0.87 0.00 0.00 20 K 8.38 4.22 0.00 1.73 1.69 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.34 7.81 21 T 7.17 4.24 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 1.15 0.00 0.00 22 W 8.84 5.26 0.00 3.16 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 23 R 9.46 4.87 0.00 1.86 1.98 0.00 3.18 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 24 P 0.00 5.01 0.00 2.32 2.23 0.00 3.92 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 2.17 2.13 0.00 25 R 9.38 5.11 0.00 2.13 1.93 0.00 3.18 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.06 0.00 26 Y 8.86 4.49 0.00 1.43 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 0.00 0.00 0.00 27 F 8.63 5.21 0.00 2.59 2.55 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 28 L 9.14 5.46 0.00 1.67 1.68 1.09 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.53 5.52 0.00 2.23 1.83 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 K 9.28 5.14 0.00 1.88 1.75 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.47 7.81 31 N 9.13 4.51 0.00 2.72 2.93 0.00 0.00 7.10 8.81 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 32 D 7.85 4.74 0.00 2.79 2.87 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 33 G 8.60 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 0.00 0.00 0.00 34 T 8.10 4.69 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 1.34 0.00 0.00 35 F 9.66 5.82 0.00 3.13 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 36 I 8.91 4.60 1.49 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 1.24 1.29 0.82 0.00 0.00 37 G 7.62 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 0.00 0.00 0.00 38 Y 8.32 5.03 0.00 2.80 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 *39 K 8.91 4.09 0.00 1.77 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.03 7.81 40 E 7.68 5.02 0.00 1.93 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 0.00 2.46 2.45 0.00 41 R 8.07 2.95 0.00 0.67 1.39 0.00 2.96 0.00 0.00 2.70 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 42 P 0.00 4.08 0.00 1.60 1.50 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 43 Q 9.01 4.17 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 44 D 7.31 4.67 0.00 2.79 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 45 V 8.48 3.54 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 1.08 0.00 0.00 0.91 0.00 0.00 46 D 8.00 4.34 0.00 2.83 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 47 Q 9.03 4.13 0.00 1.87 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 48 R 7.63 4.09 0.00 1.94 1.97 0.00 3.12 0.00 0.00 2.89 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 49 E 7.98 4.17 0.00 1.98 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 2.35 2.33 0.00 50 A 7.30 4.79 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.58 0.00 1.76 1.26 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 52 L 7.85 4.14 0.00 1.43 1.65 0.92 1.15 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 53 N 7.31 4.83 0.00 2.32 2.35 0.00 0.00 6.56 6.92 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 54 N 7.54 4.77 0.00 2.43 2.46 0.00 0.00 6.82 7.02 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 55 F 9.07 5.44 0.00 3.32 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 56 S 8.95 5.18 0.00 3.97 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 57 V 8.86 4.44 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 0.65 0.00 0.00 0.98 0.00 0.00 58 A 7.84 4.05 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 59 Q 8.57 3.42 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 60 C 7.94 4.77 0.00 3.16 2.96 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 61 Q 8.89 4.76 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 62 L 8.48 5.27 0.00 1.46 1.57 0.94 0.87 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 63 M 9.33 4.92 0.00 1.94 1.95 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 2.52 2.49 0.00 64 K 8.68 5.25 0.00 1.64 1.75 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 65 T 9.12 4.86 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 66 E 8.96 4.82 0.00 1.95 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 2.22 2.24 0.00 67 R 7.78 4.73 0.00 1.75 1.81 0.00 3.27 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 68 P 0.00 4.49 0.00 2.27 2.22 0.00 3.87 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 2.27 2.07 0.00 69 R 7.71 4.58 0.00 1.65 1.43 0.00 3.11 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.66 0.00 70 P 0.00 4.53 0.00 2.02 1.98 0.00 3.73 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 2.00 2.09 0.00 71 N 9.11 4.30 0.00 3.10 2.98 0.00 0.00 7.24 7.53 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 72 T 7.76 5.32 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 1.39 0.00 0.00 73 F 9.39 5.48 0.00 3.14 3.10 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 74 I 9.28 4.96 1.89 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 1.15 0.81 0.85 0.00 0.00 75 I 8.82 5.02 1.96 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 1.22 1.03 0.93 0.00 0.00 76 R 8.76 5.09 0.00 1.50 1.80 0.00 3.24 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 77 C 9.20 5.02 0.00 3.07 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.50 4.80 0.00 1.68 1.68 0.92 0.64 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 79 Q 9.43 4.50 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 5.31 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 80 W 9.35 4.21 0.00 3.54 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 81 T 8.92 4.34 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 0.18 0.00 0.00 82 T 7.78 4.64 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 1.25 0.00 0.00 83 V 8.42 4.51 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 0.79 0.00 0.00 0.93 0.00 0.00 84 I 9.30 4.82 1.85 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 1.44 1.09 0.96 0.00 0.00 85 E 8.64 5.15 0.00 1.72 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 2.14 2.23 0.00 86 R 8.73 4.40 0.00 1.33 1.06 0.00 3.01 0.00 0.00 2.92 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.75 0.00 87 T 7.63 4.62 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 1.18 0.00 0.00 88 F 8.68 5.52 0.00 1.51 2.43 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 89 H 9.21 5.40 0.00 3.02 2.86 0.00 5.20 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 90 V 8.33 4.65 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.26 0.00 0.00 91 E 9.12 4.21 0.00 2.35 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 2.36 2.27 0.00 92 T 8.39 4.81 4.43 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 1.24 0.00 0.00 93 P 0.00 4.43 0.00 2.31 2.46 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 94 E 8.16 3.97 0.00 2.09 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 2.40 2.43 0.00 95 E 8.20 4.09 0.00 2.40 2.28 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 2.50 2.49 0.00 96 R 8.13 3.98 0.00 2.05 2.18 0.00 3.38 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 97 E 8.23 3.95 0.00 2.29 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 2.32 2.49 0.00 98 E 7.90 3.86 0.00 1.94 1.74 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 2.23 2.53 0.00 99 W 8.05 3.98 0.00 3.14 2.60 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 0.00 100 T 8.08 3.76 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 0.92 0.00 0.00 101 T 8.06 3.86 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 1.16 0.00 0.00 102 A 7.87 3.91 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 0.00 103 I 7.80 3.54 1.76 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 1.09 0.63 0.79 0.00 0.00 104 Q 7.95 3.92 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 105 T 7.88 3.87 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 1.19 0.00 0.00 106 V 7.78 3.55 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 1.04 0.00 0.00 0.97 0.00 0.00 107 A 8.15 4.01 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 0.00 108 D 8.77 4.44 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.03 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.25 4.24 0.00 1.86 1.75 0.99 0.71 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 0.00 111 K 8.15 4.01 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.33 7.81 112 K 7.97 4.21 0.00 1.85 1.77 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.32 7.81 113 Q 8.10 4.41 0.00 2.34 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 114 E 8.78 4.13 0.00 2.09 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 2.20 0.00 115 E 8.35 3.25 0.00 2.05 1.52 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 2.23 2.17 0.00 *116 E 9.30 4.22 0.00 1.73 1.79 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.