NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3116 8.1227 122.4758 51.7957 20.8220 174.8609 3 L 4.8626 8.2124 121.7379 53.1623 43.3916 174.7108 4 F 5.0372 9.8277 124.9679 55.6642 43.4040 174.0098 5 G 4.5646 9.3491 106.4551 44.8135 0.0000 171.1643 6 Y 5.6583 9.0553 123.3618 55.5974 42.1410 174.4667 7 A 4.5159 8.1617 126.8771 50.2788 22.3966 175.1414 8 R 5.1905 8.2137 121.0674 52.7329 33.0653 176.8021 9 V 4.1597 7.9492 122.1911 61.6696 33.6662 176.9073 *13 Q 4.3329 8.8715 116.2435 55.9588 30.7469 176.9518 14 Q 4.0446 8.0363 116.6706 58.9544 28.4587 178.7621 15 S 4.1544 8.0007 114.4259 60.8077 63.1628 175.9394 16 L 3.9647 7.6740 123.8815 57.8107 42.0650 178.1661 17 D 4.4093 8.1246 118.9633 56.9682 40.7304 178.8086 18 I 3.7299 7.9455 120.7323 64.4330 37.1131 178.4326 19 Q 4.0009 7.7595 118.7631 58.8697 28.5209 179.0774 20 V 3.5568 7.7999 119.2899 66.0777 31.5249 178.3344 21 R 3.9116 7.9413 117.4274 59.2038 29.8862 178.9308 22 A 3.9974 8.0860 120.6201 55.0899 18.3229 179.7190 23 L 4.0204 8.0344 117.6399 57.6669 41.7288 179.8060 24 K 4.4688 8.0630 119.9026 59.1715 31.8123 179.1880 25 D 4.4307 8.3049 117.8802 56.6606 40.8122 177.8652 26 A 4.2754 7.4906 119.2252 52.2601 18.7735 177.8650 27 G 3.9709 7.6259 104.4695 44.9363 0.0000 174.3073 28 V 3.7609 8.0851 121.3762 61.8067 32.2409 175.5977 29 K 4.1601 8.4320 126.5393 56.0413 32.7521 177.5950 30 A 3.8962 8.7800 126.0682 55.4413 18.2562 178.7993 31 N 4.5525 7.9637 109.5959 53.9480 37.9447 175.4074 32 R 4.6758 8.1604 118.1199 56.1803 31.7796 174.9285 33 I 4.8291 7.1875 121.0330 59.8918 38.6059 175.2498 34 F 5.0915 9.5277 125.9501 55.8242 42.4789 174.3530 35 T 5.0984 8.6336 111.5746 60.0752 72.4706 172.2853 36 D 4.9687 8.7231 121.6313 52.9719 44.8128 176.7084 37 K 3.9713 8.7636 120.3042 58.2908 33.3404 177.4449 *44 D 4.7691 8.0118 116.4658 53.8367 42.7469 176.2558 45 R 5.0309 7.5708 113.1215 55.0476 30.5146 177.0582 46 K 4.0718 8.6644 120.5109 60.4513 31.9582 179.0104 47 G 4.0510 9.3433 107.6508 47.2894 0.0000 175.5051 48 L 3.8465 8.5673 122.8942 58.0002 41.8742 178.7719 49 D 4.2871 8.1216 117.9825 57.2889 40.7707 178.5731 50 L 4.0207 7.4756 118.5619 57.4343 41.9764 178.7203 51 L 3.1578 7.4801 120.4002 57.8827 41.6585 179.7265 52 R 3.7610 7.5204 113.8492 57.3233 30.3943 177.5915 *54 K 4.3624 8.0021 120.3536 56.1643 34.0660 177.2195 55 V 3.4220 7.2634 117.8966 61.2519 31.9978 175.3461 56 K 4.6604 9.1586 121.6823 53.8466 36.1374 175.1954 57 E 4.3314 8.0649 120.0978 57.5716 29.5636 177.1146 58 G 3.9930 9.1063 115.3408 45.1522 0.0000 173.1820 59 D 4.9198 7.9633 119.7498 54.1639 42.7317 175.4098 60 V 4.7670 8.7357 119.3999 61.3564 35.1166 174.0553 61 I 4.8349 8.4818 128.6288 59.7997 39.1632 174.6485 62 L 4.8640 9.3290 128.4458 53.7379 43.6073 175.9668 63 V 4.7453 8.4593 122.4778 61.0777 34.6467 175.6440 64 K 4.0653 9.2127 129.5062 59.1112 32.9750 176.4632 65 K 5.0962 8.0108 117.9439 53.9384 35.5360 176.7238 66 L 3.3348 8.8806 124.0805 58.4055 41.8993 179.0803 67 D 4.4636 7.9378 115.8480 56.5172 40.6092 176.3616 68 H 4.9396 8.2705 116.0868 55.5446 28.7771 175.8227 69 L 4.3878 7.6583 121.4450 56.0966 42.4774 177.6869 70 G 4.2302 7.6674 106.7566 43.5033 0.0000 173.0610 71 R 4.1639 8.5511 115.0597 58.1459 29.7985 175.6252 72 D 4.5984 7.4546 115.7301 52.6564 41.9445 175.1886 73 T 4.0144 8.8420 114.5592 66.2813 68.9604 175.8893 74 A 4.1238 8.3478 123.8590 55.5038 18.5258 179.6993 75 D 4.5467 8.0985 112.1062 55.0770 40.7559 177.8828 *77 I 4.1126 7.8389 120.4830 60.9281 39.3595 177.8234 78 Q 3.9589 8.0427 120.3256 59.0966 28.7319 178.2635 79 L 3.9184 8.1917 120.1976 57.8385 41.6201 179.6011 80 I 3.8415 7.7991 119.1912 64.2375 37.1627 177.9972 81 K 3.8611 8.4112 120.9037 59.5654 31.6551 178.2596 82 E 3.7719 8.1639 119.1763 59.4502 29.5328 178.8213 83 F 4.2309 8.1459 117.9150 60.5525 38.9488 177.1165 84 D 4.4684 8.7079 117.9561 57.4321 40.7864 178.2750 85 A 4.0684 7.9287 120.1759 54.6676 18.1450 178.7184 86 Q 4.2844 7.8479 114.9918 55.7475 29.0214 176.9216 87 G 3.7184 8.1830 108.8689 46.1594 0.0000 172.6136 88 V 4.8697 8.1295 120.0373 60.7649 33.1257 175.2799 89 S 4.8773 8.5047 122.0208 56.9203 66.1625 172.8295 90 I 4.6920 8.5468 121.1878 59.3557 40.4272 174.5565 91 R 4.7338 8.7696 126.8676 54.4695 32.9892 174.2445 92 F 5.0647 8.9644 125.9573 56.2826 39.8384 176.8836 93 I 3.7026 8.7354 125.9102 64.6997 37.2530 177.8744 94 D 4.5372 8.4491 119.0515 57.5394 40.6939 177.9492 95 D 4.3763 8.1940 117.1145 55.0857 41.4040 175.9965 96 G 3.8284 8.5511 106.3693 45.6522 0.0000 173.3833 97 I 4.5758 7.3533 116.7128 59.4275 41.6725 173.0224 98 S 5.2666 8.4608 119.8887 56.8004 65.8090 174.0136 99 T 4.4990 8.6107 110.7492 61.9841 68.7127 175.6003 100 D 4.4754 8.3304 123.0753 57.5753 41.0041 176.9900 101 S 4.8166 7.6303 111.9730 56.1708 65.3332 174.3493 102 Y 4.2985 8.3436 118.1438 59.6959 38.0981 177.5300 103 I 3.7453 7.1302 121.0907 64.0527 37.7870 177.2941 104 G 4.1794 7.9096 108.4696 48.1483 0.0000 176.4831 105 K 4.2286 8.0259 117.5440 56.6679 31.5817 179.1079 *107 V 3.9872 7.9100 121.0208 63.0026 33.3361 177.7041 108 V 3.5313 7.9602 118.9021 66.1146 31.2861 178.0893 109 T 3.8493 8.0425 115.5603 66.6357 68.2834 176.5991 110 I 3.6830 7.6445 121.0164 64.5518 37.1950 178.4382 111 L 3.9912 7.9751 119.7093 57.5943 41.1491 179.6393 112 S 3.9629 8.0601 113.1061 61.2833 62.3602 175.9279 113 A 4.0657 8.0036 123.5033 55.1195 18.0223 179.8965 114 V 3.4418 7.8018 116.3845 66.1369 31.6958 178.0219 115 A 3.9586 8.1430 120.7994 55.2601 18.1673 179.3800 116 Q 3.8534 8.5212 118.1156 59.2399 29.0968 178.2354 117 A 3.9798 7.9671 121.8236 55.2074 18.3309 179.1834 118 E 3.8407 8.1640 117.7734 59.4042 29.6907 178.9934 119 R 3.8812 7.9891 118.7464 59.6677 30.2747 178.5926 120 Q 4.0225 8.2881 117.8298 58.6224 28.4373 178.6454 121 R 3.8936 8.1535 120.1512 59.4275 30.0273 178.6097 122 I 3.7150 8.0738 120.0339 64.3395 37.1155 178.1994 123 L 4.0622 8.0822 121.1816 58.2189 41.6765 178.9188 124 E 4.1036 7.9232 117.5575 59.0635 29.5688 178.8920 125 R 4.1232 7.6497 114.0639 58.0521 29.7083 178.0586 126 T 4.2712 7.0890 114.7212 65.5687 69.4473 173.9983 127 N 4.4894 8.5208 122.5663 53.7760 38.9884 174.2787 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 2 A 8.12 4.31 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 3 L 8.21 4.86 0.00 1.66 1.47 0.97 0.34 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 4 F 9.83 5.04 0.00 2.89 3.03 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 5 G 9.35 4.56 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 0.00 0.00 0.00 6 Y 9.06 5.66 0.00 2.91 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 7 A 8.16 4.52 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 8 R 8.21 5.19 0.00 1.79 1.84 0.00 3.29 0.00 0.00 3.49 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.40 0.00 9 V 7.95 4.16 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 0.71 0.00 0.00 0.90 0.00 0.00 *13 Q 8.87 4.33 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 14 Q 8.04 4.04 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 15 S 8.00 4.15 0.00 4.02 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 16 L 7.67 3.96 0.00 1.73 1.86 0.88 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.12 4.41 0.00 2.88 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 18 I 7.95 3.73 1.86 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 1.51 0.87 0.91 0.00 0.00 19 Q 7.76 4.00 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 20 V 7.80 3.56 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 0.99 0.00 0.00 0.92 0.00 0.00 21 R 7.94 3.91 0.00 1.92 1.95 0.00 3.17 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 22 A 8.09 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 23 L 8.03 4.02 0.00 1.87 1.72 0.98 1.00 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 24 K 8.06 4.47 0.00 1.96 1.83 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 25 D 8.30 4.43 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.49 4.28 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 27 G 7.63 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 0.00 0.00 0.00 28 V 8.09 3.76 2.15 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 0.90 0.00 0.00 1.01 0.00 0.00 29 K 8.43 4.16 0.00 1.74 1.73 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.35 7.81 30 A 8.78 3.90 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 N 7.96 4.55 0.00 2.79 2.88 0.00 0.00 5.87 7.66 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 32 R 8.16 4.68 0.00 1.68 1.58 0.00 2.66 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.35 0.00 33 I 7.19 4.83 1.91 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 0.62 0.87 0.00 0.00 34 F 9.53 5.09 0.00 3.23 3.23 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 0.00 35 T 8.63 5.10 4.17 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 1.14 0.00 0.00 36 D 8.72 4.97 0.00 2.62 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 37 K 8.76 3.97 0.00 1.75 1.85 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.41 7.81 *44 D 8.01 4.77 0.00 2.67 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.57 5.03 0.00 2.00 2.09 0.00 3.18 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 46 K 8.66 4.07 0.00 1.88 1.97 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.55 7.81 47 G 9.34 4.05 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 0.00 0.00 0.00 48 L 8.57 3.85 0.00 1.97 1.87 0.51 1.00 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 49 D 8.12 4.29 0.00 2.85 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 50 L 7.48 4.02 0.00 1.69 1.65 1.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.48 3.16 0.00 1.57 1.52 0.75 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.52 3.76 0.00 1.91 1.83 0.00 3.13 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.80 0.00 *54 K 8.00 4.36 0.00 1.58 1.93 0.00 2.14 0.00 0.00 1.93 0.00 0.00 3.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.72 7.81 55 V 7.26 3.42 1.81 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 0.72 0.00 0.00 0.45 0.00 0.00 56 K 9.16 4.66 0.00 1.79 1.72 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.35 7.81 57 E 8.06 4.33 0.00 1.93 1.89 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 2.31 2.30 0.00 58 G 9.11 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 59 D 7.96 4.92 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.74 4.77 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 0.93 0.00 0.00 0.93 0.00 0.00 61 I 8.48 4.83 1.55 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.12 0.81 0.00 0.00 62 L 9.33 4.86 0.00 1.54 1.56 0.91 0.51 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 V 8.46 4.75 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 1.24 0.00 0.00 0.94 0.00 0.00 64 K 9.21 4.07 0.00 1.98 1.90 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.33 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.57 1.61 7.81 65 K 8.01 5.10 0.00 1.57 1.53 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.43 7.81 66 L 8.88 3.33 0.00 1.61 1.45 0.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.94 4.46 0.00 2.51 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 68 H 8.27 4.94 0.00 3.41 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.66 4.39 0.00 1.99 1.84 1.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.67 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 0.00 0.00 0.00 0.00 71 R 8.55 4.16 0.00 2.00 2.11 0.00 3.13 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 72 D 7.45 4.60 0.00 2.77 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 73 T 8.84 4.01 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 74 A 8.35 4.12 1.37 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 0.00 0.00 0.00 75 D 8.10 4.55 0.00 2.80 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 *77 I 7.84 4.11 1.89 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 1.59 0.79 0.93 0.00 0.00 78 Q 8.04 3.96 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 79 L 8.19 3.92 0.00 1.82 1.86 0.98 0.93 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 80 I 7.80 3.84 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.85 1.01 0.00 0.00 81 K 8.41 3.86 0.00 1.91 1.98 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 82 E 8.16 3.77 0.00 1.96 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 1.62 2.05 0.00 83 F 8.15 4.23 0.00 3.17 3.12 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 84 D 8.71 4.47 0.00 2.82 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 85 A 7.93 4.07 1.37 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 0.00 0.00 0.00 86 Q 7.85 4.28 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.81 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 87 G 8.18 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.13 4.87 2.34 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 0.68 0.00 0.00 0.99 0.00 0.00 89 S 8.50 4.88 0.00 3.90 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 90 I 8.55 4.69 1.68 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 0.76 0.61 0.13 0.00 0.00 91 R 8.77 4.73 0.00 1.72 1.64 0.00 3.05 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 92 F 8.96 5.06 0.00 3.11 3.13 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 0.00 0.00 0.00 0.00 93 I 8.74 3.70 1.92 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 1.31 0.48 0.93 0.00 0.00 94 D 8.45 4.54 0.00 2.80 2.75 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 0.00 0.00 0.00 95 D 8.19 4.38 0.00 2.72 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 96 G 8.55 3.83 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 0.00 97 I 7.35 4.58 1.91 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 1.51 1.40 1.02 0.00 0.00 98 S 8.46 5.27 0.00 4.06 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 99 T 8.61 4.50 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 1.40 0.00 0.00 100 D 8.33 4.48 0.00 2.69 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 0.00 101 S 7.63 4.82 0.00 3.84 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 0.00 102 Y 8.34 4.30 0.00 3.10 3.14 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 0.00 0.00 0.00 0.00 103 I 7.13 3.75 1.63 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 0.38 0.45 0.81 0.00 0.00 104 G 7.91 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 0.00 0.00 0.00 105 K 8.03 4.23 0.00 2.09 1.90 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.72 7.81 *107 V 7.91 3.99 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 0.95 0.00 0.00 0.95 0.00 0.00 108 V 7.96 3.53 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 0.88 0.00 0.00 1.10 0.00 0.00 109 T 8.04 3.85 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 1.22 0.00 0.00 110 I 7.64 3.68 2.00 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 1.64 0.63 0.90 0.00 0.00 111 L 7.98 3.99 0.00 1.59 1.63 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.06 3.96 0.00 3.88 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 0.00 113 A 8.00 4.07 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 V 7.80 3.44 2.21 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 0.98 0.00 0.00 0.96 0.00 0.00 115 A 8.14 3.96 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 0.00 116 Q 8.52 3.85 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 117 A 7.97 3.98 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 0.00 118 E 8.16 3.84 0.00 2.10 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 0.00 2.30 2.36 0.00 119 R 7.99 3.88 0.00 2.12 1.97 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 120 Q 8.29 4.02 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 121 R 8.15 3.89 0.00 1.92 2.18 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 122 I 8.07 3.71 2.01 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 1.41 1.11 0.91 0.00 0.00 123 L 8.08 4.06 0.00 1.93 1.82 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.92 4.10 0.00 2.01 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 2.34 2.40 0.00 125 R 7.65 4.12 0.00 1.95 2.05 0.00 3.05 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.66 0.00 126 T 7.09 4.27 4.36 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 1.21 0.00 0.00 127 N 8.52 4.49 0.00 2.65 2.74 0.00 0.00 7.15 7.43 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 * Residues marked with a * may have inaccurate shift predictions.