NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2865 8.3101 120.1451 56.0286 33.6672 174.9476 4 A 4.1296 8.3244 126.4882 51.4323 19.6857 174.5044 5 K 5.1048 9.6415 123.6556 54.9607 35.0950 173.7799 6 I 5.0510 9.2410 126.5135 59.4192 40.0305 175.2293 7 G 4.2365 9.3298 115.4904 45.9423 0.0000 172.4979 8 I 5.1863 9.2454 124.2849 59.3130 41.0631 174.5293 9 V 4.6903 8.8111 127.0650 61.4131 34.2271 174.3792 10 T 4.6704 8.9346 126.3579 62.8293 69.5059 174.3819 11 V 4.5601 8.9225 128.5360 61.7150 32.7037 174.3240 12 S 4.5912 9.1088 122.5456 56.4535 65.6235 174.0408 13 D 4.3361 9.4314 128.6103 58.2009 40.5043 179.6210 14 R 3.6031 7.7178 116.2649 58.9294 30.0664 178.6001 15 A 4.4675 8.2779 122.4033 54.2933 18.2393 179.6535 16 S 4.2198 7.7740 111.2437 60.9658 63.3220 176.2442 17 A 4.1079 7.5636 123.8681 54.0109 18.0935 177.5009 18 G 3.9967 7.4223 104.6834 46.3557 0.0000 175.5882 19 I 3.7690 8.2106 119.2879 64.1257 38.7064 175.3782 20 Y 3.5159 7.5375 114.7037 58.6908 34.0540 169.0497 21 E 4.3314 7.8381 116.6987 56.1552 31.3225 177.6452 22 D 4.7551 8.3130 120.4521 53.1797 40.2037 176.6918 23 I 3.8117 7.9641 120.2141 63.0924 37.6141 178.0239 24 S 4.3017 8.2024 115.9124 60.9352 63.3164 176.5302 25 G 3.7890 8.8045 110.8689 46.7791 0.0000 175.7016 26 K 3.8407 7.9192 121.6805 59.3107 32.3273 178.8312 27 A 3.9589 8.3216 121.3400 54.9765 18.2561 179.8030 28 I 3.6482 7.3434 117.9051 64.5402 37.3224 178.5652 29 I 3.9248 7.7363 120.6364 64.5507 36.8971 178.2247 30 D 4.3594 8.4116 120.0799 57.7006 40.6172 179.0556 31 T 3.5174 7.6269 115.9639 66.4197 68.2858 176.8945 32 L 3.3887 7.5039 120.7397 57.5053 41.2518 179.3139 33 N 4.5367 8.0901 115.8316 56.3229 38.5146 176.8164 34 D 4.4863 7.7311 119.7156 57.4262 41.2408 178.2747 35 Y 4.3426 7.6673 117.1016 59.9369 38.1111 175.6999 36 L 4.7136 7.5313 119.1615 54.2356 42.6567 176.6918 37 T 4.6980 8.8214 112.9312 61.9079 70.4832 174.9887 38 S 4.6498 8.1419 116.4400 57.4878 64.6928 173.9458 39 E 4.4074 8.8525 121.2539 56.6427 30.1215 176.0493 40 W 5.7446 8.7635 120.2819 54.8844 32.0292 173.6019 41 E 4.3998 9.4344 122.9314 53.6438 31.2979 173.0162 42 P 5.1226 0.0000 0.0000 62.7497 32.6815 175.6437 43 I 4.3941 9.2615 126.1189 60.0237 38.5376 173.7892 44 Y 5.5585 8.5744 128.2105 56.0246 41.2614 174.7981 45 Q 4.3085 8.6505 123.5252 54.3910 33.8796 173.5196 46 V 4.7708 7.9726 122.7224 61.1054 33.7990 174.5606 47 I 4.7912 8.7523 120.2729 58.5924 41.2684 172.6098 48 P 4.6267 0.0000 0.0000 62.0522 32.1948 176.9373 49 D 4.6558 8.2422 121.0595 54.2048 38.3222 176.6122 50 E 4.4770 7.6243 119.2905 53.4961 33.0195 174.2980 51 Q 3.9538 8.7446 128.3044 59.3151 29.2834 177.7039 52 D 4.3180 8.0444 119.7464 56.4361 39.3088 178.6804 53 V 3.5764 7.6824 119.1510 65.6219 31.6561 177.7344 54 I 3.6652 7.8756 119.6831 64.5147 36.9215 177.9109 55 E 3.9520 8.3123 119.3159 59.9524 29.3590 179.6141 56 T 3.8501 7.8731 115.2821 67.0025 68.3166 176.6371 57 T 3.8404 7.8767 116.3165 66.7690 68.5954 176.3122 58 L 4.1457 7.7871 119.2693 57.7705 41.9034 179.2852 59 I 3.9027 8.0444 120.0754 64.1999 37.0275 179.0320 60 K 4.1182 7.8374 116.3324 57.2882 31.4802 177.9700 *62 A 4.3159 7.7648 121.0300 51.5704 20.3378 178.1944 63 D 4.6688 8.2522 113.5473 55.6668 42.0245 177.5188 64 E 4.3679 8.2884 116.9418 57.7605 29.2381 176.9613 65 Q 4.3288 8.0105 114.9773 55.1390 29.6238 174.9896 66 D 4.6730 8.0325 116.7369 55.2633 38.5634 173.9047 67 C 4.5629 7.4576 115.8945 60.0997 29.0260 174.2356 68 C 4.4388 8.9678 119.6872 59.6582 31.1207 173.2874 69 L 5.2702 7.8736 120.6432 53.1503 45.5857 175.1666 70 I 5.1225 8.9995 125.9786 59.7274 40.8739 174.5578 71 V 5.0397 8.9742 121.0997 59.7172 34.4704 175.1261 72 T 5.1841 8.7570 114.7847 60.3050 72.2541 173.0812 73 T 4.9338 9.1048 117.1282 61.5597 70.7007 173.5284 74 G 4.2096 8.1513 115.0124 46.8465 0.0000 172.9610 75 G 3.9216 9.1593 105.2813 47.4236 0.0000 174.7990 76 T 4.3529 7.9169 106.4111 60.7645 69.3760 174.0608 77 G 4.1048 8.2213 112.3169 44.2611 0.0000 172.3619 78 P 4.3623 0.0000 0.0000 63.9513 31.9875 176.7830 79 A 4.1884 7.7524 123.2434 51.8854 18.8786 178.5311 80 K 4.1348 8.5081 120.1288 59.3031 33.0548 178.7327 81 R 3.9541 7.8728 115.0381 58.2224 29.6287 176.5060 82 D 4.5680 7.7747 118.6300 54.0682 39.5400 175.8804 83 V 4.8869 7.8663 114.6330 60.1593 32.8735 178.0062 84 T 3.8962 8.0345 119.8110 66.4982 68.1025 174.6682 85 P 4.5053 0.0000 0.0000 65.2941 31.3660 178.4848 86 E 3.9118 8.1677 116.8688 59.4556 29.3674 178.8791 87 A 4.1665 7.9961 120.6246 55.6473 18.4181 179.9032 88 T 3.7903 8.0193 113.9839 66.7695 68.3534 176.5060 89 E 3.9134 8.1569 119.8080 59.3659 29.6651 178.4575 90 A 4.1181 7.8527 119.8142 54.8859 18.5583 179.3450 91 V 3.8905 7.4167 108.7642 61.7595 32.4320 176.4060 92 C 4.6028 7.2327 116.2125 59.0177 28.9900 173.6150 93 D 4.5162 8.7873 123.8509 56.5408 41.0804 176.2342 94 R 4.4482 7.3525 113.7730 54.6550 32.2605 173.2153 *97 P 4.6601 0.0000 0.0000 62.5459 33.2308 178.6821 98 G 3.8151 8.2922 105.7459 47.8501 0.0000 175.5466 99 F 4.0819 8.4384 118.7602 60.3922 39.2653 177.3009 100 G 3.9738 8.2760 103.4184 48.0728 0.0000 174.5552 101 E 4.2167 7.9644 121.0827 59.0695 29.4516 180.0049 102 L 3.9331 7.6784 117.9601 55.7488 42.2738 178.6178 *104 R 4.2466 8.0096 117.9393 55.7121 32.0085 177.8798 105 A 4.0534 7.9473 118.4902 55.0741 18.3633 179.2756 106 E 4.1111 8.6458 117.7285 59.6934 29.6100 179.6766 107 S 4.5874 8.1361 114.6535 61.3797 62.7579 176.4262 108 L 4.4816 7.7729 120.7704 57.3975 41.3185 179.1570 109 K 3.8587 7.4352 116.6835 58.5741 31.8457 178.3922 110 F 4.7885 7.6366 115.9344 57.7213 40.1714 176.5236 111 V 4.3978 8.1795 114.1611 58.9409 33.7333 174.6290 112 P 4.2005 0.0000 0.0000 65.8855 31.5474 177.8949 113 T 4.2400 7.9205 105.5231 61.8731 69.4586 176.0193 114 A 4.0999 8.4502 126.3803 55.1272 18.0397 179.3075 115 I 3.9462 7.1435 109.8690 62.8685 37.8945 177.4299 116 L 4.2499 7.7217 119.8657 55.0320 42.1613 176.8113 117 S 4.4649 7.4189 114.0704 58.3804 62.8532 173.5738 118 R 4.7562 8.8462 125.5994 55.7857 30.8182 176.2039 119 Q 4.1434 7.7383 117.9759 57.5653 29.2101 175.9922 120 T 4.7964 8.7346 113.9108 61.5396 71.4428 171.6729 121 A 4.9239 8.2068 121.0816 51.2792 22.3796 175.6036 122 G 3.9321 8.5091 105.8628 45.9544 0.0000 171.9382 123 L 5.1945 8.7855 120.0653 52.7136 44.4616 176.4106 124 R 4.6784 8.7801 124.2590 55.0096 31.5141 175.9005 125 G 3.8209 9.2353 119.0397 47.2091 0.0000 172.7494 126 D 4.8346 8.7456 121.4442 53.1409 39.7323 175.7348 127 S 4.9314 8.1384 116.1280 57.4804 65.7659 172.9911 128 L 4.5235 8.5990 126.7199 54.2046 43.5412 175.1572 129 I 5.0294 8.8176 127.0666 59.4590 40.4760 174.6098 130 V 4.5214 8.7642 126.5468 61.0451 34.5631 173.8934 131 N 5.3960 9.0534 126.2444 52.1754 38.7546 174.8532 132 L 4.8797 8.8755 124.4227 52.2085 45.0195 174.7922 133 P 4.7258 0.0000 0.0000 62.1610 32.6580 176.5378 134 G 3.7441 8.5152 106.4986 48.1591 0.0000 175.5542 135 K 4.1197 7.8469 120.0972 55.2193 33.6339 175.8383 136 P 4.2406 0.0000 0.0000 65.8272 31.3495 178.9859 137 K 3.9292 7.9202 116.8284 60.1347 32.4984 179.2905 138 S 4.1959 7.9269 115.8741 61.0780 62.7640 176.3755 139 I 3.6840 8.1391 123.1057 64.4805 36.8176 178.3647 140 R 3.8565 7.8503 119.2427 59.5480 29.7855 178.3844 141 E 4.0022 8.2264 118.3447 59.6638 29.4991 179.2103 142 C 4.2587 8.4992 117.1638 62.6597 28.0854 176.2008 143 L 4.2027 8.1095 120.7187 57.9699 41.0975 178.9728 144 D 4.3976 8.6426 119.1382 56.7417 40.7929 178.7159 145 A 4.1375 7.7929 120.4363 54.7657 18.8480 179.2384 146 V 3.9332 7.5598 109.1688 62.4371 32.7145 178.2135 147 F 3.9683 8.9148 121.3735 60.6590 39.1233 175.0683 148 P 4.1510 0.0000 0.0000 65.6333 31.5787 177.5475 149 A 4.2937 7.8762 118.2562 53.4959 18.3657 179.5452 150 I 3.6437 7.5850 119.5106 63.5520 37.2218 176.3105 151 P 4.0278 0.0000 0.0000 65.7236 31.0592 177.8563 152 Y 4.1825 7.8723 117.6467 60.8977 38.4642 177.3867 153 C 3.8212 7.6905 118.0712 62.7064 31.8219 175.4903 154 I 3.8106 7.7837 121.1731 64.3000 36.4597 177.9445 155 D 4.4086 7.9356 118.9392 57.2058 40.9397 180.6523 156 L 4.0519 7.4843 120.0534 54.0033 41.4729 177.4746 *158 E 4.1670 8.1462 114.7991 56.1782 31.1226 176.5453 159 G 4.0986 7.8586 110.2675 43.3132 0.0000 172.5766 160 P 4.3444 0.0000 0.0000 62.8558 31.7593 175.5861 161 Y 4.4208 8.3413 121.1487 56.1554 38.1764 174.9100 162 L 4.3425 7.9880 127.7512 54.3326 42.8678 176.3777 163 E 4.8604 9.2591 122.6255 54.8242 32.3913 174.9955 164 C 5.3509 8.6733 120.2124 57.8496 32.1359 173.0265 165 N 4.6805 9.0013 120.2928 52.6924 37.4091 175.9092 166 E 4.2721 9.2480 126.2248 58.4988 29.9798 179.3040 167 A 4.2150 8.0597 120.8093 54.2983 18.8483 178.1218 168 V 4.1511 7.1799 113.8250 63.9886 32.5965 175.8688 169 I 4.4749 8.0965 119.3142 59.1645 40.6144 174.0679 170 K 4.6466 8.3201 127.7844 53.6137 31.4364 173.0685 171 P 4.5614 0.0000 0.0000 62.5962 32.1812 175.7132 172 F 4.6127 8.4782 125.7841 57.3721 40.4153 174.9300 173 R 3.6936 7.4370 124.2368 53.2641 32.4365 173.7932 174 P 3.8050 0.0000 0.0000 62.5238 32.1558 177.4780 175 K 4.1296 8.3374 122.0107 54.8619 31.7328 176.0080 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 3 K 8.31 4.29 0.00 1.81 1.89 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.48 7.81 4 A 8.32 4.13 1.40 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 0.00 0.00 5 K 9.64 5.10 0.00 1.79 1.81 0.00 1.65 0.00 0.00 2.00 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.51 7.81 6 I 9.24 5.05 2.27 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.08 0.98 0.00 0.00 7 G 9.33 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 0.00 0.00 0.00 0.00 8 I 9.25 5.19 2.13 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 1.22 0.73 1.08 0.00 0.00 9 V 8.81 4.69 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 1.06 0.00 0.00 0.96 0.00 0.00 10 T 8.93 4.67 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 1.35 0.00 0.00 11 V 8.92 4.56 2.09 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 1.03 0.00 0.00 0.94 0.00 0.00 12 S 9.11 4.59 0.00 3.89 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 13 D 9.43 4.34 0.00 2.67 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 14 R 7.72 3.60 0.00 1.45 1.04 0.00 3.07 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.41 0.00 15 A 8.28 4.47 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 0.00 0.00 0.00 0.00 0.00 16 S 7.77 4.22 0.00 3.97 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 17 A 7.56 4.11 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 18 G 7.42 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 19 I 8.21 3.77 1.95 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 1.38 0.87 1.02 0.00 0.00 20 Y 7.54 3.52 0.00 3.36 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 21 E 7.84 4.33 0.00 2.11 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 2.32 0.00 22 D 8.31 4.76 0.00 2.93 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 23 I 7.96 3.81 1.87 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 1.71 0.75 0.92 0.00 0.00 24 S 8.20 4.30 0.00 4.20 4.18 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 25 G 8.80 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 26 K 7.92 3.84 0.00 1.72 1.99 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.55 7.81 27 A 8.32 3.96 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 28 I 7.34 3.65 2.04 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 1.52 1.16 0.93 0.00 0.00 29 I 7.74 3.92 1.80 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.88 0.94 0.00 0.00 30 D 8.41 4.36 0.00 2.78 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 31 T 7.63 3.52 4.04 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 0.35 0.00 0.00 32 L 7.50 3.39 0.00 1.51 0.64 0.70 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.09 4.54 0.00 2.92 2.96 0.00 0.00 7.06 7.51 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 34 D 7.73 4.49 0.00 2.53 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 35 Y 7.67 4.34 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.53 4.71 0.00 1.60 1.76 0.05 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.82 4.70 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 1.29 0.00 0.00 38 S 8.14 4.65 0.00 4.02 4.02 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 39 E 8.85 4.41 0.00 2.03 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 2.43 2.37 0.00 40 W 8.76 5.74 0.00 3.59 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 41 E 9.43 4.40 0.00 1.94 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 2.18 2.10 0.00 42 P 0.00 5.12 0.00 2.06 1.77 0.00 3.36 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.48 0.00 43 I 9.26 4.39 1.95 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 1.20 0.93 1.00 0.00 0.00 44 Y 8.57 5.56 0.00 2.83 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.65 4.31 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 46 V 7.97 4.77 1.94 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 0.82 0.00 0.00 0.71 0.00 0.00 47 I 8.75 4.79 1.84 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 1.37 0.41 0.86 0.00 0.00 48 P 0.00 4.63 0.00 2.07 2.07 0.00 3.74 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 1.96 1.97 0.00 49 D 8.24 4.66 0.00 2.99 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 50 E 7.62 4.48 0.00 1.99 1.73 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 2.25 2.47 0.00 51 Q 8.74 3.95 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.67 0.00 0.00 0.00 0.00 0.00 2.54 2.41 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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 0.00 115 I 7.14 3.95 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 1.53 0.65 0.92 0.00 0.00 116 L 7.72 4.25 0.00 1.76 1.77 0.93 0.73 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 0.00 117 S 7.42 4.46 0.00 3.88 3.95 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 0.00 118 R 8.85 4.76 0.00 1.67 1.91 0.00 3.24 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 119 Q 7.74 4.14 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 120 T 8.73 4.80 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 1.28 0.00 0.00 121 A 8.21 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.51 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.14 0.00 0.00 0.78 0.00 0.00 131 N 9.05 5.40 0.00 2.78 2.77 0.00 0.00 6.86 7.92 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 0.00 132 L 8.88 4.88 0.00 1.72 1.60 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.73 0.00 2.19 2.11 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 134 G 8.52 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 0.00 135 K 7.85 4.12 0.00 1.79 1.72 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.53 7.81 136 P 0.00 4.24 0.00 2.12 2.09 0.00 3.58 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 137 K 7.92 3.93 0.00 1.90 1.99 0.00 1.34 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.50 7.81 138 S 7.93 4.20 0.00 3.99 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 0.00 139 I 8.14 3.68 2.04 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 1.42 0.82 0.89 0.00 0.00 140 R 7.85 3.86 0.00 1.88 2.04 0.00 3.11 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 141 E 8.23 4.00 0.00 1.98 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 2.26 2.22 0.00 142 C 8.50 4.26 0.00 3.01 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 0.00 143 L 8.11 4.20 0.00 1.88 1.99 0.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.64 4.40 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.79 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 0.00 146 V 7.56 3.93 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 0.81 0.00 0.00 1.19 0.00 0.00 147 F 8.91 3.97 0.00 3.23 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 0.00 148 P 0.00 4.15 0.00 2.17 2.23 0.00 3.71 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 2.18 2.05 0.00 149 A 7.88 4.29 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 0.00 150 I 7.59 3.64 0.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.74 0.52 0.00 0.00 151 P 0.00 4.03 0.00 1.97 1.87 0.00 3.33 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 152 Y 7.87 4.18 0.00 3.04 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 0.00 153 C 7.69 3.82 0.00 3.20 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 0.00 154 I 7.78 3.81 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.45 0.91 0.00 0.00 155 D 7.94 4.41 0.00 2.69 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 0.00 156 L 7.48 4.05 0.00 1.52 1.49 0.45 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 *158 E 8.15 4.17 0.00 1.97 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 2.20 2.30 0.00 159 G 7.86 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 0.00 160 P 0.00 4.34 0.00 2.26 2.13 0.00 3.77 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 2.02 2.01 0.00 161 Y 8.34 4.42 0.00 2.99 2.97 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 0.00 162 L 7.99 4.34 0.00 1.55 1.59 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 163 E 9.26 4.86 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 164 C 8.67 5.35 0.00 2.84 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 0.00 165 N 9.00 4.68 0.00 2.82 2.75 0.00 0.00 7.58 7.28 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 0.00 166 E 9.25 4.27 0.00 2.09 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 2.42 2.29 0.00 167 A 8.06 4.21 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 0.00 168 V 7.18 4.15 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 1.00 0.00 0.00 1.02 0.00 0.00 169 I 8.10 4.47 1.35 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.13 0.60 0.00 0.00 170 K 8.32 4.65 0.00 1.76 1.75 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.34 7.81 171 P 0.00 4.56 0.00 2.00 1.99 0.00 3.75 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 1.96 1.96 0.00 172 F 8.48 4.61 0.00 2.98 2.97 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 0.00 173 R 7.44 3.69 0.00 1.38 1.51 0.00 3.15 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.45 0.00 174 P 0.00 3.80 0.00 1.82 1.95 0.00 2.20 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.96 0.00 175 K 8.34 4.13 0.00 1.77 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.