NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4701 8.2493 123.6048 51.8115 20.9093 176.2943 2 S 4.8370 7.6325 108.9038 55.3557 66.6668 173.4674 3 F 2.9515 9.1132 123.0523 61.1236 40.0542 178.2258 4 S 3.9673 8.1634 113.6135 60.8730 62.0325 174.3777 5 E 4.3113 7.8096 116.3997 55.9371 29.9911 176.1668 6 A 4.1639 6.9028 121.9596 50.8654 18.9740 175.8159 7 P 4.4108 0.0000 0.0000 61.4293 32.0618 175.1124 8 P 4.3324 0.0000 0.0000 62.9381 31.7938 175.8895 9 G 4.6096 8.3163 108.0831 43.5073 0.0000 173.3724 10 N 4.8876 9.2210 120.9571 50.5325 41.1906 173.6497 11 P 4.4231 0.0000 0.0000 65.7113 31.1804 178.6267 12 K 3.9432 8.4478 118.3173 59.3815 31.8893 178.9654 13 A 4.1028 8.3074 120.6850 55.2671 18.2142 179.7623 14 G 3.6338 8.2583 104.1935 47.7325 0.0000 175.5042 15 E 2.5400 8.0102 121.5186 58.5829 29.5886 178.9801 16 K 3.8602 7.5739 118.4030 59.5358 32.0780 179.2561 17 I 3.6363 7.4248 119.7669 64.3096 37.0215 178.0554 18 F 3.8809 8.2908 121.6019 61.2844 38.9588 177.0332 19 K 3.8581 7.8659 116.6795 59.9269 32.0077 179.0204 20 T 4.1026 7.6417 108.0236 63.4532 69.1024 175.9695 21 K 4.4934 8.0121 118.4223 56.2023 34.0412 176.5269 22 C 4.3060 7.8918 115.2732 59.8610 31.0097 175.9879 23 A 3.9539 7.2180 122.0336 55.0028 18.1262 178.9139 24 Q 4.0309 8.0261 115.8060 59.0806 29.0604 176.8607 25 C 4.7948 8.0162 112.3389 59.5646 30.4757 173.6514 26 H 5.2768 7.8413 114.3940 54.1268 32.2709 173.3233 27 T 4.6964 8.5425 111.9663 60.8412 71.1054 175.3585 28 V 4.3809 8.1825 111.1560 60.8468 34.6855 175.8699 29 D 4.6327 7.8740 119.9791 52.6740 41.7759 175.6839 30 K 4.1079 8.3778 124.5403 57.9412 32.5867 177.2096 31 G 3.9287 8.9652 113.9582 45.4252 0.0000 173.8580 32 A 3.9953 7.6956 121.4620 52.5832 18.8134 178.7599 33 G 3.7040 7.8492 104.1171 44.9956 0.0000 172.1451 34 H 5.0813 8.3152 115.2673 54.2123 31.8293 174.6265 35 K 4.5834 8.3606 121.8061 55.6509 33.1085 178.0406 36 Q 4.0798 9.1778 123.4522 59.4742 29.3285 176.9932 37 G 3.9189 7.9972 106.1753 42.4167 0.0000 170.9512 38 P 4.1390 0.0000 0.0000 61.5546 31.9586 175.8678 39 N 4.7813 8.6460 117.9760 53.6587 39.4742 174.7037 40 L 4.3399 8.9017 124.6578 54.5243 42.1597 176.1793 41 N 4.4267 8.4952 118.8983 55.1109 39.1387 174.5074 42 G 3.9851 9.1316 112.8349 46.3903 0.0000 174.3481 43 L 3.9796 7.9712 123.9059 57.7320 42.0231 177.3388 44 F 4.2870 8.3019 117.3934 59.7503 38.6855 175.4725 45 G 4.0128 9.6766 116.7329 44.9077 0.0000 173.1918 46 R 4.4161 7.8472 118.9392 55.2171 31.9230 175.7736 47 Q 4.4574 8.4543 123.1662 55.6497 29.7664 175.9737 48 S 4.1789 8.4445 121.3324 58.9575 63.8424 173.8768 49 G 2.2623 8.2633 108.1417 46.7356 0.0000 174.2058 50 T 4.5421 7.5633 106.5380 60.7821 70.1514 174.0174 51 T 4.1700 8.0611 121.4293 62.7806 69.0450 172.2175 52 P 4.4364 0.0000 0.0000 64.1307 31.8565 176.8757 53 G 3.9935 9.0694 108.9643 45.6189 0.0000 172.1964 54 Y 4.2247 7.2695 119.8910 55.4926 40.3952 175.4999 55 S 4.3526 7.1414 123.1194 57.4164 62.3928 173.6216 56 Y 4.6708 8.2825 123.2790 56.8973 38.9689 176.5920 57 S 4.5271 8.6441 116.9325 58.3619 65.3574 175.4172 58 T 3.8968 8.4764 113.3286 64.8015 68.4916 176.3063 59 A 3.9635 8.0711 123.1681 55.2431 18.2733 179.0281 60 D 4.4225 7.9947 114.7027 57.0649 41.3422 178.4415 61 K 3.9942 7.7425 119.2720 59.3405 32.1089 178.8528 62 N 4.2938 8.4477 115.5024 56.7389 38.5284 176.9525 63 M 3.9856 8.3308 119.1301 56.3908 32.7718 176.5780 64 A 3.5483 7.4148 120.1006 52.8296 17.0966 177.2505 65 V 3.4902 7.0914 121.0896 63.1083 33.0801 175.6414 66 I 4.2760 7.8966 128.9341 60.2790 37.7855 175.6302 67 W 4.5289 8.8128 128.9403 56.9087 30.2179 175.7171 68 E 4.7235 8.8409 122.5943 54.6204 34.0615 175.9064 69 E 3.6524 8.9988 119.1884 59.8501 28.9991 179.2572 70 N 4.3885 7.8980 115.9544 56.7757 38.6885 177.4462 71 T 4.0661 7.8538 110.4954 64.8033 68.9587 176.4239 72 L 3.9976 8.3600 122.2481 57.6274 41.3925 178.7281 73 Y 4.1807 7.9773 118.5104 60.8440 38.7070 177.7628 74 D 4.5424 8.1692 119.5812 57.4780 40.9837 177.8314 75 Y 3.7710 7.9483 120.3511 60.8695 38.6911 178.4947 76 L 3.8713 8.2400 119.6534 57.2673 41.5745 179.2292 77 L 4.1937 7.4226 121.7892 56.7178 42.9363 175.4812 78 N 4.6884 7.8585 113.6221 52.0773 40.8331 172.9102 79 P 3.9830 0.0000 0.0000 62.4676 31.8613 178.5639 *81 K 4.2893 8.0908 119.5439 56.7275 34.0095 176.9593 82 Y 4.0980 8.1049 118.6944 59.9509 39.0627 175.7189 83 I 4.6124 8.1396 121.5186 57.9616 37.7787 171.7621 84 P 4.4726 0.0000 0.0000 63.9888 31.8202 177.1391 85 G 3.9962 8.9581 110.9324 45.2791 0.0000 173.5467 86 T 4.1598 7.6214 114.2098 62.1061 67.8228 173.8902 87 K 4.4378 8.5172 124.0219 56.6550 33.1863 175.9841 88 M 4.0736 7.9051 120.7536 55.7350 32.2372 175.7886 89 V 4.1049 8.2112 126.9101 61.8750 31.3294 174.8183 90 F 4.5499 8.1680 127.2182 56.6866 41.9098 171.9796 91 P 4.0085 0.0000 0.0000 65.7152 31.3033 175.7984 92 G 4.2559 5.5928 100.6299 44.1211 0.0000 172.2036 93 L 4.6449 8.6516 119.9050 52.4071 44.8309 176.0866 *95 K 4.2167 8.1295 117.8844 55.6254 34.0796 175.1020 96 P 4.3803 0.0000 0.0000 66.0649 31.2970 178.6675 97 Q 4.0522 8.1197 117.5631 59.2555 29.0580 177.9435 98 E 4.0218 8.1955 119.1423 59.4591 29.5006 179.4414 99 R 4.0112 8.1825 117.8990 59.1824 30.1621 178.8829 100 A 4.3160 8.4269 120.5835 55.3905 18.4277 179.4341 101 D 4.3551 8.5232 117.5805 57.4350 40.8870 178.6043 102 L 4.1049 8.0945 120.7114 58.4825 42.0920 179.0498 103 I 3.8850 8.3210 119.9379 64.6390 37.2299 178.4492 104 S 4.1423 8.3935 115.9762 61.8418 62.6416 176.3210 105 Y 4.1556 8.1956 121.9630 60.7121 38.5556 177.7638 106 L 3.6183 8.2075 120.1312 57.6539 41.5028 179.5121 107 K 2.7490 7.5503 117.2973 59.1690 32.0190 178.7068 108 E 3.8316 7.4158 117.6900 59.1906 29.4642 178.4770 109 A 3.6754 7.6169 120.1717 54.8717 18.6216 178.8034 110 T 4.1485 7.7337 106.0126 62.1780 69.1425 175.3306 111 S 4.2215 7.4213 123.3344 59.0857 62.7941 173.8704 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 A 8.25 4.47 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.63 4.84 0.00 4.14 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 3 F 9.11 2.95 0.00 2.89 3.22 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 4 S 8.16 3.97 0.00 3.88 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 5 E 7.81 4.31 0.00 2.07 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 2.25 2.23 0.00 6 A 6.90 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.41 0.00 2.12 2.04 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 8 P 0.00 4.33 0.00 2.17 2.03 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 1.98 1.95 0.00 9 G 8.32 4.61 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 10 N 9.22 4.89 0.00 2.72 2.79 0.00 0.00 6.92 7.69 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 11 P 0.00 4.42 0.00 2.40 2.37 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 2.08 0.00 12 K 8.45 3.94 0.00 1.84 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 13 A 8.31 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.26 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.01 2.54 0.00 1.79 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 2.08 1.78 0.00 16 K 7.57 3.86 0.00 1.99 1.82 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 17 I 7.42 3.64 2.06 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 1.42 0.76 0.94 0.00 0.00 18 F 8.29 3.88 0.00 3.17 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.87 3.86 0.00 1.97 1.85 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.59 7.81 20 T 7.64 4.10 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 21 K 8.01 4.49 0.00 1.71 1.94 0.00 1.82 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.56 7.81 22 C 7.89 4.31 0.00 1.32 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.22 3.95 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 24 Q 8.03 4.03 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 25 C 8.02 4.79 0.00 2.70 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 26 H 7.84 5.28 0.00 3.17 3.26 0.00 5.64 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 27 T 8.54 4.70 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 1.30 0.00 0.00 28 V 8.18 4.38 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 0.42 0.00 0.00 0.81 0.00 0.00 29 D 7.87 4.63 0.00 2.70 2.56 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 30 K 8.38 4.11 0.00 1.70 1.71 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 31 G 8.97 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.70 4.00 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 33 G 7.85 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.32 5.08 0.00 3.28 3.50 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.36 4.58 0.00 1.80 1.52 0.00 1.84 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.36 7.81 36 Q 9.18 4.08 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 37 G 8.00 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 0.00 0.00 0.00 38 P 0.00 4.14 0.00 1.96 1.00 0.00 3.44 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 39 N 8.65 4.78 0.00 2.94 2.84 0.00 0.00 7.34 7.78 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 40 L 8.90 4.34 0.00 1.68 1.57 0.86 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.50 4.43 0.00 2.84 2.74 0.00 0.00 7.08 8.64 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 42 G 9.13 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 0.00 0.00 0.00 0.00 43 L 7.97 3.98 0.00 1.91 1.69 0.56 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.30 4.29 0.00 3.01 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 45 G 9.68 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 46 R 7.85 4.42 0.00 2.01 1.88 0.00 3.16 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 47 Q 8.45 4.46 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.98 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 48 S 8.44 4.18 0.00 3.94 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.26 2.26 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 50 T 7.56 4.54 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 1.17 0.00 0.00 51 T 8.06 4.17 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 1.36 0.00 0.00 52 P 0.00 4.44 0.00 2.25 2.12 0.00 3.90 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 2.06 2.02 0.00 53 G 9.07 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 0.00 0.00 0.00 0.00 54 Y 7.27 4.22 0.00 2.55 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 55 S 7.14 4.35 0.00 3.53 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 56 Y 8.28 4.67 0.00 3.07 2.99 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 0.00 57 S 8.64 4.53 0.00 4.14 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 58 T 8.48 3.90 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 59 A 8.07 3.96 1.43 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 0.00 0.00 60 D 7.99 4.42 0.00 2.91 2.92 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 61 K 7.74 3.99 0.00 1.94 1.78 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.66 7.81 62 N 8.45 4.29 0.00 2.70 2.87 0.00 0.00 7.15 7.61 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 63 M 8.33 3.99 0.00 1.85 2.14 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.78 0.00 64 A 7.41 3.55 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.09 3.49 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 0.00 0.00 0.30 0.00 0.00 0.71 0.00 0.00 66 I 7.90 4.28 1.75 0.00 0.00 0.76 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 0.85 0.89 0.00 0.00 67 W 8.81 4.53 0.00 3.17 2.63 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 68 E 8.84 4.72 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 69 E 9.00 3.65 0.00 1.25 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 0.00 0.00 0.00 2.10 2.39 0.00 70 N 7.90 4.39 0.00 2.82 2.94 0.00 0.00 6.88 7.05 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 71 T 7.85 4.07 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 1.30 0.00 0.00 72 L 8.36 4.00 0.00 1.73 1.71 0.26 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 7.98 4.18 0.00 3.24 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 74 D 8.17 4.54 0.00 2.89 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 75 Y 7.95 3.77 0.00 2.32 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.24 3.87 0.00 1.71 1.70 0.99 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.42 4.19 0.00 1.60 1.79 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 N 7.86 4.69 0.00 2.66 2.64 0.00 0.00 7.18 8.88 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 79 P 0.00 3.98 0.00 2.14 1.60 0.00 3.70 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 2.15 1.57 0.00 *81 K 8.09 4.29 0.00 1.96 1.96 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.70 7.81 82 Y 8.10 4.10 0.00 3.28 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 4.61 2.18 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.13 1.06 0.00 0.00 84 P 0.00 4.47 0.00 2.06 2.02 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 85 G 8.96 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 86 T 7.62 4.16 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 1.38 0.00 0.00 87 K 8.52 4.44 0.00 1.96 1.96 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.53 7.81 88 M 7.91 4.07 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 89 V 8.21 4.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.97 0.00 0.00 90 F 8.17 4.55 0.00 2.98 2.89 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 91 P 0.00 4.01 0.00 1.66 1.87 0.00 2.52 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 92 G 5.59 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 93 L 8.65 4.64 0.00 1.71 1.60 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 *95 K 8.13 4.22 0.00 1.96 1.80 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.49 7.81 96 P 0.00 4.38 0.00 2.26 2.35 0.00 3.64 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 2.19 2.25 0.00 97 Q 8.12 4.05 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 98 E 8.20 4.02 0.00 2.19 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 2.43 2.43 0.00 99 R 8.18 4.01 0.00 2.04 2.10 0.00 3.24 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 100 A 8.43 4.32 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 0.00 101 D 8.52 4.36 0.00 2.76 2.88 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 0.00 102 L 8.09 4.10 0.00 1.95 1.98 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.32 3.88 2.18 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 1.65 0.71 1.04 0.00 0.00 104 S 8.39 4.14 0.00 4.11 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 8.20 4.16 0.00 3.22 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.21 3.62 0.00 2.07 1.95 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 107 K 7.55 2.75 0.00 1.57 1.43 0.00 1.47 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 1.27 7.81 108 E 7.42 3.83 0.00 1.90 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 2.21 2.39 0.00 109 A 7.62 3.68 0.28 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 0.00 110 T 7.73 4.15 4.40 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 1.14 0.00 0.00 111 S 7.42 4.22 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.