NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6599 8.3649 120.3117 52.8977 41.2952 177.1159 6 F 4.2492 8.3343 119.8058 57.5330 39.3941 171.2600 7 E 3.9116 9.4317 122.7426 59.3746 30.4259 176.3891 8 E 3.6858 8.1606 120.9232 56.1962 27.2926 171.5147 9 K 4.5588 9.0626 125.1439 54.3100 34.7731 174.1114 10 M 4.3511 8.6847 127.5435 56.4062 33.0676 173.4879 11 I 3.8614 9.5369 128.1545 62.0602 36.9851 176.5498 12 L 4.5598 8.3600 126.2096 54.9861 45.2492 175.7387 13 I 5.6651 8.1205 122.3642 60.9474 41.2637 174.1828 14 R 4.6917 8.7858 122.3609 53.9393 33.4940 174.5426 15 R 4.5123 7.9292 118.1422 54.4265 28.7694 173.7805 16 T 4.1294 7.5014 112.5322 62.8404 70.2500 173.4672 17 A 4.6354 7.9676 121.4814 51.8151 22.2775 174.6941 18 R 4.6165 8.0241 114.8497 55.5152 33.4034 173.7229 19 M 4.9891 8.0115 116.8377 53.8347 35.9610 175.2816 20 Q 4.3776 8.6143 117.7990 55.3042 32.8365 172.9348 21 A 4.0590 8.5179 126.7074 53.0929 19.4568 176.2661 22 G 4.3489 8.8611 109.8860 43.8159 0.0000 174.3265 23 G 3.9013 6.8587 105.8244 45.8359 0.0000 170.9904 24 R 4.8201 8.1122 116.6936 54.5484 32.2939 176.0659 25 R 4.4156 7.8807 118.1805 54.5936 33.9596 175.6809 26 F 4.7810 8.7634 122.7222 57.0517 40.9369 174.5979 27 R 4.7096 7.5404 115.3464 56.1438 33.2974 173.7577 28 F 5.2665 9.3108 123.9082 55.8616 42.6102 174.6817 29 G 5.2443 9.0173 106.7169 44.1256 0.0000 171.5712 30 A 5.1862 8.5947 121.8008 49.9683 22.8535 174.7486 31 L 4.4746 8.9008 125.7726 53.5889 43.6191 175.1062 32 V 4.8826 8.5249 127.3827 61.0431 34.1522 174.2621 33 V 4.7268 8.7303 128.3619 61.3335 33.5893 174.5586 34 V 4.6760 8.9415 127.2196 61.2709 34.8597 174.3525 35 G 4.5162 8.4676 112.3397 45.6065 0.0000 172.9065 36 D 5.0252 8.9931 118.9817 52.3475 40.2265 176.8439 37 R 4.1298 8.1616 117.7989 57.8823 27.8517 176.5459 38 Q 4.4578 9.8055 113.9766 55.1892 30.1453 175.9354 39 G 4.1073 7.9534 106.3891 45.0392 0.0000 173.4520 40 R 5.5683 8.2276 118.8738 53.4087 33.3146 174.9656 41 V 4.9229 8.2783 115.9383 59.9079 36.8756 174.5292 42 G 4.5445 9.2448 109.0199 43.9580 0.0000 171.1747 43 L 5.1036 8.4880 125.6640 52.9525 44.1907 175.6801 44 G 4.2942 8.9760 112.6625 44.4037 0.0000 170.7485 45 F 5.3445 9.0416 125.7913 56.2299 41.6391 174.9037 46 G 4.2620 9.5789 114.3984 44.6990 0.0000 171.7121 47 K 5.2676 8.5758 126.3613 54.8115 33.4603 176.2674 48 A 4.7234 9.3565 125.5605 50.2308 22.5599 175.2693 49 P 4.3686 0.0000 0.0000 65.3228 31.8872 176.0201 50 E 4.2131 7.7386 116.7663 53.1146 32.8160 175.2379 51 V 3.4477 7.4282 120.6911 65.5974 31.3768 175.8223 52 P 4.1386 0.0000 0.0000 65.9653 31.2187 178.1308 53 L 3.8901 7.9989 116.3352 58.1382 41.6372 179.6544 54 A 4.0914 8.0358 120.1344 55.2495 18.3368 179.8466 55 V 3.5687 8.2331 117.1631 66.1071 31.6889 177.7497 56 Q 3.9543 8.8612 119.9594 59.3033 28.9497 178.0360 57 K 3.8707 8.7541 120.6564 59.7978 32.1552 178.3968 58 A 4.3836 8.7424 121.2954 55.1979 18.3450 179.6548 59 G 3.7332 8.4078 104.6234 48.1644 0.0000 175.2496 60 Y 4.2266 7.9779 121.5501 60.9174 38.6890 177.6186 61 Y 3.8037 7.5712 115.8604 61.5374 38.1875 177.5517 62 A 3.8941 8.8638 122.1289 54.3845 17.9966 179.2578 63 R 3.8091 8.0128 117.9323 58.9908 30.7541 179.0020 64 R 4.0310 7.7779 113.4042 55.7163 30.1388 175.4125 65 N 4.2365 7.9089 112.3135 53.6284 42.6774 173.4634 66 M 5.1683 8.3357 124.7781 55.1347 36.1461 173.8498 67 V 4.5011 8.2264 116.9216 61.2109 35.2191 173.5538 68 E 4.4523 8.6752 121.6138 55.1951 29.6147 175.5045 69 V 3.7716 9.8865 127.5319 61.3430 32.3369 176.1329 70 P 4.5102 0.0000 0.0000 62.5627 30.5991 176.4082 71 L 3.9243 8.4346 120.1411 55.2113 40.8690 177.8336 72 Q 4.3040 8.7683 125.0328 54.7448 28.2402 175.4455 73 N 4.2679 9.1562 125.2314 54.5659 37.1645 175.4488 74 G 3.9980 8.2533 105.0217 45.7412 0.0000 172.9038 75 T 4.6819 7.2613 114.9244 60.5098 68.3483 172.1010 76 I 4.7810 7.9155 118.5895 58.5843 40.2133 175.6851 77 P 4.3003 0.0000 0.0000 65.1205 31.4812 175.1726 78 H 4.4810 7.0560 112.0438 55.1682 31.3517 172.4504 79 E 5.3815 8.9964 119.2574 54.7288 30.4715 176.0853 80 I 4.8423 8.1765 116.2353 59.2769 42.0064 173.6691 81 E 5.2538 8.6110 120.6993 54.7351 33.1750 175.3944 82 V 4.3611 8.7083 123.2572 61.2863 34.9805 173.9575 83 E 4.8085 8.9809 127.9456 54.3766 29.8271 176.7129 84 F 4.5849 8.6847 132.8306 57.3423 38.5616 175.8170 85 G 3.7262 8.0245 109.9945 46.2266 0.0000 172.6237 86 A 4.0094 8.1926 120.2088 54.7663 19.4645 179.7462 87 S 4.7732 7.9829 108.8624 57.2624 65.4728 172.3743 88 K 5.1339 8.4374 121.1543 54.1114 36.3225 174.5497 89 I 4.6912 7.9477 120.7983 60.1136 41.5775 173.1917 90 V 5.0243 8.7672 122.0204 59.5585 35.1875 174.6199 91 L 5.1917 8.8322 123.5504 52.9581 45.3984 175.6217 92 K 5.0329 9.4803 123.9644 53.3910 35.6506 174.1152 93 P 4.5895 0.0000 0.0000 63.4701 31.8086 175.1413 94 A 4.8869 8.4608 123.3442 50.1493 22.2179 175.0120 95 A 4.5780 8.2929 120.6456 49.8599 20.5894 175.5402 96 P 4.9176 0.0000 0.0000 63.6188 31.8538 176.3437 97 G 3.8424 8.9957 108.6753 47.6175 0.0000 174.4154 98 T 4.2621 8.4529 116.9646 61.8745 70.4752 176.0702 99 G 3.8171 8.2195 109.0728 43.9172 0.0000 172.0908 100 V 4.4195 8.0240 118.7428 61.2390 31.8993 175.5462 101 I 4.3094 8.1299 122.8911 60.0442 37.9321 174.5936 102 A 4.6723 7.6150 127.7381 50.6535 22.6430 175.6706 103 G 3.6850 8.6121 108.2830 44.8188 0.0000 173.1715 104 A 3.8097 7.9956 118.7491 55.8282 17.6304 179.5050 105 V 3.4757 7.8218 113.7146 65.4171 32.0452 176.6389 106 P 4.2097 0.0000 0.0000 66.1965 30.6722 178.1637 107 R 3.7846 7.9691 117.3804 59.2408 29.9657 178.2083 108 A 3.8955 7.8855 119.6776 55.2214 18.4641 179.0217 109 I 3.9770 7.4856 118.0581 63.8799 37.7283 178.1254 110 L 4.0264 7.8610 119.3887 57.7782 41.5558 179.8518 111 E 3.9114 8.3807 118.8694 59.5569 29.5582 179.2944 112 L 4.1392 7.8806 117.6535 57.0963 41.6684 179.0331 113 A 4.0989 7.9023 121.1090 53.1057 18.5202 177.8420 114 G 4.2138 8.0052 105.4698 46.4564 0.0000 173.8256 115 V 4.5612 7.5292 117.4967 61.1144 34.0826 174.9546 116 T 4.4382 8.9187 122.5520 63.7453 70.7591 173.4039 117 D 4.8482 7.7022 120.1790 52.3436 44.0020 174.1142 118 I 4.8548 8.1790 122.7931 59.6477 41.8936 172.9141 119 L 5.0473 9.3522 129.5220 53.4582 43.3271 175.6617 120 T 5.5904 8.2295 111.0887 60.0952 72.7428 172.6156 121 K 4.6617 8.4801 123.2047 54.9831 36.2596 174.3516 122 E 4.8431 8.8386 126.0352 55.0208 30.8601 175.2406 123 L 4.6268 8.1947 123.0595 53.6074 45.4813 177.7406 124 G 3.9423 8.6179 107.4436 45.5160 0.0000 173.4660 125 S 4.1614 7.8268 116.9234 59.0558 62.7921 174.9703 126 R 4.4104 8.2748 123.4051 55.8267 31.5936 175.9617 127 N 4.1025 7.7440 114.7125 54.9722 39.7278 172.0452 128 P 3.9709 0.0000 0.0000 66.2084 31.4522 178.0317 129 I 3.6421 7.7863 117.4039 65.4482 37.5750 177.9171 130 N 4.5273 8.3353 116.6345 56.4429 38.3644 177.7803 131 I 3.7460 8.1312 121.3675 64.8942 37.2617 177.3855 132 A 3.9240 8.7653 121.2001 55.3927 17.9671 178.9753 133 Y 3.6555 8.7041 112.5809 60.7211 37.9237 179.4767 134 A 3.8734 7.4277 120.2363 55.4517 18.7678 179.1579 135 T 3.9743 8.3271 114.6721 68.1340 68.5520 175.6291 136 M 3.8564 8.1148 119.4316 58.2049 31.6367 177.7757 137 E 3.8267 8.0553 123.8758 58.8400 30.4600 179.3636 138 A 4.1441 7.9861 120.6799 55.7153 18.9178 179.4197 139 L 3.9033 7.6069 117.2454 58.0418 41.4461 179.8503 140 R 4.0247 7.9586 117.0283 58.5446 30.0109 177.2008 141 Q 4.5295 7.8892 116.8867 54.8043 29.7151 174.9526 142 L 4.6886 7.2321 120.0561 53.6983 42.9399 176.6834 143 R 4.6143 8.4314 120.9614 54.6822 34.1177 175.2881 144 T 4.3118 8.5159 113.0830 60.4604 69.9689 175.5425 145 K 3.8240 8.7102 122.9268 58.3798 32.1669 178.5895 146 A 4.0220 8.0389 118.9893 53.7080 17.7238 178.4207 147 D 4.3030 9.3397 126.7945 55.3383 39.8695 179.4206 148 V 3.4340 7.6529 119.3934 66.1569 31.7411 177.7307 149 E 3.9388 8.4372 118.6264 59.3866 29.1337 179.1698 150 R 4.0335 7.3905 117.1348 58.4419 30.1024 177.3708 151 L 4.4831 7.8399 117.0730 55.2399 44.1231 177.3911 152 R 4.5551 7.3716 118.9384 54.8460 29.6375 176.1101 153 K 4.5055 7.4792 130.0870 56.2353 32.3662 179.9270 154 G 4.8919 8.4760 120.7214 47.9124 0.0000 172.5106 *155 E 4.1319 7.8185 117.8551 56.1112 30.4399 177.6656 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 5 D 8.36 4.66 0.00 2.76 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 6 F 8.33 4.25 0.00 3.06 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 7 E 9.43 3.91 0.00 1.99 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 2.31 0.00 8 E 8.16 3.69 0.00 2.17 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 2.22 2.30 0.00 9 K 9.06 4.56 0.00 1.79 1.61 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.34 7.81 10 M 8.68 4.35 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 11 I 9.54 3.86 1.89 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 1.08 0.66 0.88 0.00 0.00 12 L 8.36 4.56 0.00 1.64 1.40 0.88 0.86 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 13 I 8.12 5.67 1.91 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 1.06 0.88 1.07 0.00 0.00 14 R 8.79 4.69 0.00 1.85 2.02 0.00 2.96 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 15 R 7.93 4.51 0.00 1.50 1.69 0.00 2.23 0.00 0.00 2.86 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 16 T 7.50 4.13 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 1.25 0.00 0.00 17 A 7.97 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.02 4.62 0.00 1.71 1.96 0.00 2.67 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.73 0.00 19 M 8.01 4.99 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 20 Q 8.61 4.38 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 21 A 8.52 4.06 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 22 G 8.86 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 0.00 0.00 0.00 0.00 23 G 6.86 3.90 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 0.00 0.00 0.00 24 R 8.11 4.82 0.00 1.52 1.73 0.00 3.05 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.10 0.00 25 R 7.88 4.42 0.00 1.61 1.79 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 26 F 8.76 4.78 0.00 2.84 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 27 R 7.54 4.71 0.00 1.97 1.77 0.00 3.25 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 28 F 9.31 5.27 0.00 3.08 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 29 G 9.02 5.24 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 0.00 0.00 0.00 0.00 30 A 8.59 5.19 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 31 L 8.90 4.47 0.00 1.29 1.40 0.84 0.18 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 32 V 8.52 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 0.90 0.00 0.00 0.95 0.00 0.00 33 V 8.73 4.73 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 0.74 0.00 0.00 0.88 0.00 0.00 34 V 8.94 4.68 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 0.62 0.00 0.00 0.90 0.00 0.00 35 G 8.47 4.52 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 0.00 0.00 0.00 36 D 8.99 5.03 0.00 2.89 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 37 R 8.16 4.13 0.00 2.04 2.09 0.00 3.13 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 38 Q 9.81 4.46 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.22 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 39 G 7.95 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 0.00 0.00 0.00 40 R 8.23 5.57 0.00 1.99 1.85 0.00 3.41 0.00 0.00 3.58 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 41 V 8.28 4.92 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 0.74 0.00 0.00 0.87 0.00 0.00 42 G 9.24 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.49 5.10 0.00 1.47 1.32 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.98 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 0.00 0.00 0.00 0.00 45 F 9.04 5.34 0.00 3.16 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 46 G 9.58 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 0.00 0.00 0.00 0.00 47 K 8.58 5.27 0.00 1.61 1.77 0.00 1.39 0.00 0.00 1.46 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.18 7.81 48 A 9.36 4.72 1.33 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 0.00 0.00 49 P 0.00 4.37 0.00 2.11 2.25 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 50 E 7.74 4.21 0.00 1.90 1.63 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 2.14 2.14 0.00 51 V 7.43 3.45 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 0.99 0.00 0.00 0.45 0.00 0.00 52 P 0.00 4.14 0.00 2.15 2.06 0.00 3.55 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 53 L 8.00 3.89 0.00 1.90 1.79 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.04 4.09 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.23 3.57 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 1.10 0.00 0.00 1.04 0.00 0.00 56 Q 8.86 3.95 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.49 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 57 K 8.75 3.87 0.00 2.26 2.20 0.00 1.86 0.00 0.00 1.99 0.00 0.00 3.29 0.00 0.00 3.19 0.00 0.00 0.00 0.00 2.13 1.68 7.81 58 A 8.74 4.38 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.41 3.73 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 0.00 0.00 0.00 60 Y 7.98 4.23 0.00 2.92 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 61 Y 7.57 3.80 0.00 3.04 2.91 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 62 A 8.86 3.89 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 63 R 8.01 3.81 0.00 1.88 2.11 0.00 3.30 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 64 R 7.78 4.03 0.00 1.44 1.83 0.00 2.80 0.00 0.00 3.02 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.55 0.00 65 N 7.91 4.24 0.00 2.67 2.52 0.00 0.00 6.95 7.52 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 66 M 8.34 5.17 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 67 V 8.23 4.50 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 0.64 0.00 0.00 0.90 0.00 0.00 68 E 8.68 4.45 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 69 V 9.89 3.77 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 0.91 0.00 0.00 0.93 0.00 0.00 70 P 0.00 4.51 0.00 2.09 2.08 0.00 3.77 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 71 L 8.43 3.92 0.00 1.48 1.67 0.99 0.88 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 72 Q 8.77 4.30 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.27 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 73 N 9.16 4.27 0.00 2.85 2.88 0.00 0.00 7.29 7.98 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 74 G 8.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.26 4.68 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 1.25 0.00 0.00 76 I 7.92 4.78 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.26 0.98 0.00 0.00 77 P 0.00 4.30 0.00 2.44 2.20 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 78 H 7.06 4.48 0.00 3.28 3.27 0.00 5.55 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 79 E 9.00 5.38 0.00 1.86 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 2.27 2.21 0.00 80 I 8.18 4.84 1.87 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 1.27 0.92 0.85 0.00 0.00 81 E 8.61 5.25 0.00 1.82 1.85 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 2.21 2.29 0.00 82 V 8.71 4.36 2.11 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 1.10 0.00 0.00 0.98 0.00 0.00 83 E 8.98 4.81 0.00 1.92 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 2.26 2.31 0.00 84 F 8.68 4.58 0.00 2.97 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 85 G 8.02 3.73 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 0.00 0.00 0.00 86 A 8.19 4.01 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 87 S 7.98 4.77 0.00 3.90 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 88 K 8.44 5.13 0.00 1.84 1.71 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.22 7.81 89 I 7.95 4.69 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.93 0.99 0.00 0.00 90 V 8.77 5.02 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 1.02 0.00 0.00 91 L 8.83 5.19 0.00 1.57 1.49 0.91 0.56 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 92 K 9.48 5.03 0.00 1.61 1.65 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.34 7.81 93 P 0.00 4.59 0.00 2.07 2.22 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 94 A 8.46 4.89 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 95 A 8.29 4.58 1.24 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 0.00 0.00 0.00 96 P 0.00 4.92 0.00 2.05 2.02 0.00 3.81 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 97 G 9.00 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 0.00 0.00 0.00 98 T 8.45 4.26 4.37 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 1.21 0.00 0.00 99 G 8.22 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 0.00 100 V 8.02 4.42 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 0.85 0.00 0.00 0.99 0.00 0.00 101 I 8.13 4.31 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.96 0.91 0.00 0.00 102 A 7.62 4.67 1.22 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 0.00 0.00 0.00 103 G 8.61 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 0.00 104 A 8.00 3.81 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 0.00 105 V 7.82 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 1.06 0.00 0.00 0.91 0.00 0.00 106 P 0.00 4.21 0.00 2.29 2.31 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 107 R 7.97 3.78 0.00 1.89 2.26 0.00 3.13 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 108 A 7.89 3.90 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 0.00 109 I 7.49 3.98 1.98 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 1.47 0.53 0.86 0.00 0.00 110 L 7.86 4.03 0.00 1.71 1.73 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.38 3.91 0.00 1.99 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 2.32 2.54 0.00 112 L 7.88 4.14 0.00 1.67 1.72 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.90 4.10 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 0.00 114 G 8.01 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 0.00 115 V 7.53 4.56 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 0.89 0.00 0.00 0.97 0.00 0.00 116 T 8.92 4.44 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 0.00 117 D 7.70 4.85 0.00 2.53 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 0.00 118 I 8.18 4.85 1.86 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 1.33 1.07 0.90 0.00 0.00 119 L 9.35 5.05 0.00 1.73 1.55 0.92 -0.20 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 0.00 120 T 8.23 5.59 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 0.00 121 K 8.48 4.66 0.00 1.84 1.61 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.52 7.81 122 E 8.84 4.84 0.00 1.89 1.88 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 2.24 2.32 0.00 123 L 8.19 4.63 0.00 1.62 1.53 0.93 0.71 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 0.00 124 G 8.62 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 0.00 125 S 7.83 4.16 0.00 3.84 3.92 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 0.00 0.00 0.00 126 R 8.27 4.41 0.00 1.79 1.90 0.00 3.34 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 127 N 7.74 4.10 0.00 2.85 2.76 0.00 0.00 6.99 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 3.97 0.00 2.18 1.98 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 129 I 7.79 3.64 2.01 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 1.58 0.94 1.05 0.00 0.00 130 N 8.34 4.53 0.00 2.92 3.10 0.00 0.00 7.17 7.13 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 0.00 131 I 8.13 3.75 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.37 0.92 0.00 0.00 132 A 8.77 3.92 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 0.00 133 Y 8.70 3.66 0.00 2.41 1.51 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 0.00 134 A 7.43 3.87 1.46 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 0.00 135 T 8.33 3.97 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 136 M 8.11 3.86 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 137 E 8.06 3.83 0.00 2.05 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 2.35 2.59 0.00 138 A 7.99 4.14 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 0.00 139 L 7.61 3.90 0.00 1.69 1.71 0.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.96 4.02 0.00 1.77 2.11 0.00 3.38 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 141 Q 7.89 4.53 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.48 0.00 0.00 0.00 0.00 0.00 2.35 2.77 0.00 142 L 7.23 4.69 0.00 1.80 1.62 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.43 4.61 0.00 1.69 1.76 0.00 3.37 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 144 T 8.52 4.31 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 1.28 0.00 0.00 145 K 8.71 3.82 0.00 1.76 1.91 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.48 7.81 146 A 8.04 4.02 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 0.00 147 D 9.34 4.30 0.00 2.91 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 0.00 148 V 7.65 3.43 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.91 0.00 0.00 149 E 8.44 3.94 0.00 2.10 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 2.66 2.46 0.00 150 R 7.39 4.03 0.00 1.76 2.16 0.00 3.24 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 151 L 7.84 4.48 0.00 1.84 1.69 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.37 4.56 0.00 1.82 1.88 0.00 3.15 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 153 K 7.48 4.51 0.00 1.74 1.58 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.37 7.81 154 G 8.48 4.89 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 0.00 0.00 0.00 *155 E 7.82 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.