NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.3003 8.2544 119.7063 56.3385 31.4561 174.0868 10 D 4.4231 8.2321 119.9696 53.1006 44.0903 168.2363 11 V 4.5319 8.7902 115.7538 59.3244 36.0387 174.4050 12 L 4.6129 8.0725 120.2476 52.6179 42.8636 175.3275 13 P 4.4651 0.0000 0.0000 62.0576 32.1559 176.2399 14 D 4.5945 8.7255 123.0565 52.6887 39.9951 175.4959 15 P 4.2082 0.0000 0.0000 66.3827 31.3527 177.8680 16 I 3.4514 7.6798 118.7404 63.6700 36.9149 176.8881 17 Y 4.2456 9.9289 114.7202 57.2065 38.2671 175.0233 18 N 4.3338 8.0741 117.5200 54.7201 38.2194 173.4694 19 S 4.8564 9.8194 110.9026 55.9278 65.0472 174.6536 20 K 4.0460 8.7889 127.1792 59.4277 31.9472 179.1292 21 L 4.0715 8.1281 118.9074 58.2493 41.5201 179.7585 22 V 3.4368 7.9082 117.7132 65.9113 31.3701 178.4014 23 T 3.8032 7.6582 115.1684 66.8034 68.0930 176.5891 24 R 3.9180 8.4509 120.2661 59.5257 30.1598 178.6631 25 L 4.0626 7.8643 119.6945 57.7931 41.9758 178.7888 26 I 3.6937 7.7459 119.0066 63.5592 36.9363 177.9852 27 N 4.4328 7.7581 117.2994 56.3875 38.5966 177.3792 28 K 4.1224 7.5024 117.5872 58.4964 33.4615 178.7551 29 I 4.0107 7.1023 121.5532 58.8995 34.3001 174.9287 *31 I 3.7894 6.9957 121.0602 62.2632 38.6307 176.1994 32 D 4.4093 9.5245 123.2148 55.1441 38.1031 174.4313 33 G 3.8920 8.2463 104.3426 46.6652 0.0000 176.1436 34 K 4.3101 7.5070 121.3862 54.8156 30.5215 177.0243 35 K 3.9490 8.0498 124.8868 59.1159 32.5939 178.0543 36 S 4.2871 8.0061 114.2170 61.4488 62.8682 176.3445 37 K 3.9660 7.9638 122.5298 58.9838 32.1609 178.0620 38 A 4.1607 8.1510 119.6074 53.5754 18.4148 178.8553 39 Q 3.8250 7.7232 116.7319 57.6163 29.6250 177.7033 40 K 3.9844 8.3329 120.9974 59.6144 32.1156 178.8548 41 I 3.6555 7.6372 119.8712 64.4130 37.2814 178.2856 42 L 4.0446 7.2881 120.1065 57.6539 41.6592 178.0823 43 Y 4.5819 7.5547 115.7973 60.3561 38.3353 177.9623 44 T 4.0586 8.3147 116.8070 66.2389 68.4656 176.7696 45 A 4.0499 8.6291 123.2310 55.4029 18.0073 179.7853 46 F 4.0691 8.4424 115.7715 60.5025 38.8583 177.6974 47 D 4.5051 8.1032 118.5473 57.1397 40.8908 178.6177 48 I 3.7378 8.0263 120.4521 64.6302 37.1418 178.4360 49 I 3.7166 7.9996 120.5626 64.3597 36.7651 178.7697 50 R 4.1603 7.8528 119.5659 58.8479 29.8150 179.0440 51 E 3.7425 8.1175 115.6092 58.8773 29.6754 178.4340 52 R 4.3141 7.7335 117.9009 57.3737 30.8560 177.6704 53 T 4.4537 8.3919 107.8291 60.4616 69.8532 175.3889 54 G 3.9262 8.5545 109.4105 45.9722 0.0000 173.1287 55 K 4.5755 7.6184 118.4489 53.5548 35.0632 175.0768 56 D 4.5567 8.3651 119.9525 53.7157 41.7061 176.6545 57 P 4.2465 0.0000 0.0000 62.0277 30.7298 178.2570 *59 E 4.2158 8.3380 118.7261 56.6203 31.6895 178.5649 60 V 3.4946 7.3532 117.8038 66.0226 31.3714 177.3947 61 F 4.2316 8.1628 120.0804 61.9085 39.2271 177.4204 62 E 3.5827 8.0869 117.1001 58.8427 29.0192 179.0312 63 Q 3.7972 7.4888 118.8286 59.0838 29.5088 177.4978 64 A 4.2105 8.2868 122.1856 55.2463 18.4978 179.2842 65 L 3.7566 7.8855 118.8738 58.3298 41.9283 179.4049 66 K 3.9711 8.0479 117.1196 58.8890 31.9751 178.1169 67 N 4.7722 7.8750 114.9759 53.1348 40.3504 176.4971 68 V 4.1043 7.1020 120.8827 59.7054 29.6911 172.5944 *70 P 4.5430 0.0000 0.0000 62.3667 32.7801 177.5355 71 V 4.4653 8.5189 110.7163 61.1567 34.4812 175.2264 72 L 5.2304 7.7345 118.9756 52.8257 45.0952 175.3631 73 E 4.7910 9.4581 122.5126 54.5958 34.1085 174.1879 74 V 4.8623 8.5031 122.9247 61.2817 33.3367 174.6136 75 R 4.8896 9.5677 125.1740 53.6547 33.0740 174.7834 76 A 4.2866 8.5954 121.6899 53.2825 18.8408 178.2613 77 R 4.5129 8.5214 119.9822 54.8403 32.3225 172.7520 78 R 4.4775 8.5298 122.1909 56.6782 30.7155 175.9574 79 V 4.5784 9.6380 124.1288 61.5321 35.8308 177.0650 80 G 3.9381 8.4132 113.3738 47.3623 0.0000 174.3111 81 G 4.0029 8.9274 112.1184 44.7272 0.0000 171.5866 82 A 4.6729 8.6736 122.0495 49.7956 22.6541 175.8263 83 N 5.0577 8.2345 116.3172 52.0071 40.4001 174.5851 84 Y 4.5577 8.1441 121.6438 55.8826 40.3196 174.9405 85 Q 4.3299 9.0101 124.6899 56.6693 29.1761 176.6428 86 V 4.6629 9.1771 124.4310 58.7820 35.2228 173.3108 87 P 5.1048 0.0000 0.0000 62.6510 31.8981 175.6938 88 V 4.5245 9.2268 119.2006 58.7120 35.5473 174.9265 89 E 4.4392 8.8106 125.3277 56.3868 29.7883 176.7930 90 V 3.8585 8.5525 127.9925 63.1763 32.5344 175.5250 91 R 4.5617 8.4090 123.7574 54.5114 31.8858 175.7305 92 P 4.1248 0.0000 0.0000 66.1102 30.9361 178.2727 93 D 4.3567 8.0433 116.4030 57.0630 41.2063 178.4510 94 R 3.8562 8.6260 120.1999 59.1903 30.1370 178.2691 95 R 3.7816 7.9520 117.4751 59.5738 30.0185 178.9865 96 V 3.6404 7.5323 117.1269 65.9143 31.4345 178.3668 97 S 4.0063 7.5336 113.9502 61.4305 62.6298 176.2895 98 L 3.3448 8.0164 122.1113 57.5222 41.2324 179.4110 99 G 4.1514 8.0841 105.5028 48.3968 0.0000 175.4443 100 L 4.1122 8.1113 122.0310 56.9643 41.5294 179.8322 101 R 3.8292 8.2380 118.9955 59.2194 30.1194 178.5118 102 W 4.6495 8.6523 119.8774 59.9717 29.0025 178.3118 103 L 4.1854 8.7810 119.1708 58.2308 41.2007 179.9699 104 V 3.7102 8.1743 117.9305 65.6377 31.1803 178.0226 105 Q 3.8409 8.6378 118.3639 59.3366 28.8658 178.2700 106 Y 4.3523 7.5491 116.8234 60.9213 37.7987 178.0194 107 A 4.0977 8.0227 121.9466 55.2560 18.1751 179.6210 108 R 3.8588 7.5671 115.8854 59.6727 30.2706 178.5569 109 L 4.2095 7.7214 117.1828 56.5417 41.8788 177.3173 110 R 4.1715 7.3015 117.8961 56.5561 30.3858 175.6920 111 N 4.8358 7.8492 113.9191 52.7732 38.1767 175.2859 112 E 4.1720 7.9833 118.4853 56.4358 30.0811 177.3230 113 K 4.1921 8.6084 120.2578 58.8767 33.1412 177.6485 114 T 4.7239 7.3654 116.3260 62.4457 70.1571 174.7710 *116 E 4.3216 8.6849 118.7323 57.5017 31.8331 178.1028 117 E 3.9914 8.0942 118.6475 59.1654 29.5334 179.1171 118 R 3.9365 8.3662 119.2720 59.0678 30.1029 178.3539 119 L 4.0171 7.8815 119.6739 57.7594 42.0407 178.2233 120 A 4.0123 8.1615 120.1003 55.4440 18.4363 179.0010 121 N 4.4280 8.0864 113.3116 56.5918 38.9964 176.9495 122 E 4.1653 8.2360 120.5414 59.2913 29.5473 178.2235 123 I 4.2634 7.6082 117.9470 61.9858 37.0420 177.5035 *125 D 4.4947 8.0260 120.3457 54.4448 42.8580 177.8656 126 A 4.0231 8.1201 121.3687 55.0522 18.5568 179.6425 127 A 4.1131 8.0679 118.2264 54.8803 18.5240 177.8817 128 N 4.7282 8.2308 112.0821 52.5497 38.6371 174.4600 129 N 4.1172 7.7869 114.6218 54.4758 37.8085 173.0884 130 T 4.4796 7.7512 108.3668 60.4538 71.1571 172.3140 131 G 3.8906 8.6404 108.8634 44.5152 0.0000 174.5043 132 A 3.5668 8.5167 119.6434 54.9723 18.1643 179.7599 133 A 3.8832 7.8528 118.6811 55.3793 18.2497 180.0894 134 V 3.5801 7.5948 115.2564 65.6565 31.9376 177.7964 135 K 4.0857 7.5456 119.2349 59.3658 32.1021 178.4167 136 K 3.4319 7.9797 120.2142 59.6277 31.6575 178.3342 137 R 4.1082 7.4740 116.7852 58.3913 30.2481 177.9029 138 E 4.1332 8.3486 119.0593 59.2700 29.8353 177.8985 139 D 4.3246 7.9321 118.2067 58.1078 40.7075 179.0030 140 T 3.9025 7.4868 114.2444 67.4443 68.6422 175.8587 141 H 4.4542 8.2723 116.7272 57.5475 28.7806 177.0092 142 K 4.1304 8.2556 119.8806 57.5372 31.4596 177.6829 *144 A 4.2701 7.8299 120.7336 52.1683 20.5718 178.3378 145 E 4.0337 7.8999 115.9479 59.2158 30.0509 177.5681 146 A 4.1466 8.0221 120.2864 55.3455 18.5523 177.0987 147 N 4.5508 8.0330 115.5725 53.6590 38.6990 175.1528 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 9 R 8.25 4.30 0.00 1.79 1.93 0.00 3.24 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 10 D 8.23 4.42 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.79 4.53 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 0.81 0.00 0.00 0.94 0.00 0.00 12 L 8.07 4.61 0.00 1.61 1.59 0.93 1.01 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 13 P 0.00 4.47 0.00 2.07 2.17 0.00 3.70 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 2.05 2.09 0.00 14 D 8.73 4.59 0.00 3.03 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 15 P 0.00 4.21 0.00 2.14 2.23 0.00 3.92 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 16 I 7.68 3.45 1.23 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.13 0.03 0.00 0.00 17 Y 9.93 4.25 0.00 3.38 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 18 N 8.07 4.33 0.00 2.83 2.90 0.00 0.00 6.85 6.93 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 19 S 9.82 4.86 0.00 4.03 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 20 K 8.79 4.05 0.00 1.88 1.86 0.00 1.77 0.00 0.00 1.84 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.56 7.81 21 L 8.13 4.07 0.00 1.88 2.11 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.91 3.44 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 0.92 0.00 0.00 0.85 0.00 0.00 23 T 7.66 3.80 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 1.22 0.00 0.00 24 R 8.45 3.92 0.00 2.02 2.02 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 25 L 7.86 4.06 0.00 1.89 1.67 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.75 3.69 1.86 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.31 0.85 0.00 0.00 27 N 7.76 4.43 0.00 2.86 2.85 0.00 0.00 7.00 7.03 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 28 K 7.50 4.12 0.00 1.73 1.86 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.62 7.81 29 I 7.10 4.01 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.60 0.85 0.00 0.00 *31 I 7.00 3.79 1.85 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 1.40 0.83 0.90 0.00 0.00 32 D 9.52 4.41 0.00 2.82 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 33 G 8.25 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 0.00 0.00 0.00 34 K 7.51 4.31 0.00 1.79 1.76 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.56 7.81 35 K 8.05 3.95 0.00 1.84 1.78 0.00 1.57 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.52 7.81 36 S 8.01 4.29 0.00 4.09 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 37 K 7.96 3.97 0.00 1.83 2.00 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.49 7.81 38 A 8.15 4.16 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 39 Q 7.72 3.82 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.16 2.41 0.00 40 K 8.33 3.98 0.00 1.90 1.97 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.53 7.81 41 I 7.64 3.66 1.88 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 1.60 0.41 0.87 0.00 0.00 42 L 7.29 4.04 0.00 1.45 1.02 -0.35 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.55 4.58 0.00 3.05 2.93 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 44 T 8.31 4.06 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 45 A 8.63 4.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 4.07 0.00 3.39 3.20 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 0.00 0.00 0.00 0.00 47 D 8.10 4.51 0.00 2.96 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 48 I 8.03 3.74 2.13 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 1.56 1.28 0.94 0.00 0.00 49 I 8.00 3.72 1.94 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.89 0.80 0.00 0.00 50 R 7.85 4.16 0.00 2.08 2.00 0.00 3.22 0.00 0.00 3.36 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.54 0.00 51 E 8.12 3.74 0.00 2.15 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 0.00 2.66 2.37 0.00 52 R 7.73 4.31 0.00 1.90 2.02 0.00 3.15 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 53 T 8.39 4.45 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 54 G 8.55 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 55 K 7.62 4.58 0.00 1.76 1.68 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 56 D 8.37 4.56 0.00 2.78 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 1.54 1.52 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 *59 E 8.34 4.22 0.00 2.30 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 0.00 2.30 2.32 0.00 60 V 7.35 3.49 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 0.91 0.00 0.00 0.87 0.00 0.00 61 F 8.16 4.23 0.00 2.93 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 62 E 8.09 3.58 0.00 1.98 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 0.00 2.35 2.38 0.00 63 Q 7.49 3.80 0.00 2.06 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 64 A 8.29 4.21 1.47 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 0.00 0.00 65 L 7.89 3.76 0.00 1.38 1.54 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.05 3.97 0.00 1.95 1.83 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.50 7.81 67 N 7.88 4.77 0.00 2.92 2.86 0.00 0.00 6.85 7.74 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 68 V 7.10 4.10 2.23 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 1.24 0.00 0.00 1.06 0.00 0.00 *70 P 0.00 4.54 0.00 2.42 2.50 0.00 3.64 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 71 V 8.52 4.47 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 0.85 0.00 0.00 1.00 0.00 0.00 72 L 7.73 5.23 0.00 1.19 1.42 0.90 0.76 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 73 E 9.46 4.79 0.00 1.99 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 2.25 2.33 0.00 74 V 8.50 4.86 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 0.95 0.00 0.00 0.97 0.00 0.00 75 R 9.57 4.89 0.00 1.82 1.99 0.00 2.86 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 76 A 8.60 4.29 1.32 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 0.00 0.00 0.00 77 R 8.52 4.51 0.00 2.02 1.85 0.00 3.14 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 78 R 8.53 4.48 0.00 1.73 1.92 0.00 3.40 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 79 V 9.64 4.58 2.47 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 1.02 0.00 0.00 1.16 0.00 0.00 80 G 8.41 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 81 G 8.93 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 82 A 8.67 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.23 5.06 0.00 2.49 2.68 0.00 0.00 6.76 7.46 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 84 Y 8.14 4.56 0.00 2.97 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 85 Q 9.01 4.33 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 86 V 9.18 4.66 2.33 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 0.89 0.00 0.00 0.94 0.00 0.00 87 P 0.00 5.10 0.00 2.10 2.25 0.00 3.71 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 1.97 2.12 0.00 88 V 9.23 4.52 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 0.69 0.00 0.00 1.01 0.00 0.00 89 E 8.81 4.44 0.00 1.98 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 2.29 2.31 0.00 90 V 8.55 3.86 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 0.76 0.00 0.00 0.96 0.00 0.00 91 R 8.41 4.56 0.00 1.89 1.80 0.00 3.21 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 92 P 0.00 4.12 0.00 2.15 2.04 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 93 D 8.04 4.36 0.00 2.77 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 94 R 8.63 3.86 0.00 1.84 1.95 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 95 R 7.95 3.78 0.00 1.84 2.05 0.00 3.47 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 96 V 7.53 3.64 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 1.09 0.00 0.00 0.96 0.00 0.00 97 S 7.53 4.01 0.00 3.95 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 98 L 8.02 3.34 0.00 1.24 0.13 0.81 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.08 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 0.00 0.00 0.00 0.00 100 L 8.11 4.11 0.00 1.68 1.78 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.24 3.83 0.00 1.76 1.83 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 102 W 8.65 4.65 0.00 3.55 3.45 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 0.00 103 L 8.78 4.19 0.00 1.94 1.88 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.17 3.71 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 1.06 0.00 0.00 1.01 0.00 0.00 105 Q 8.64 3.84 0.00 1.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 106 Y 7.55 4.35 0.00 3.17 3.01 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 0.00 107 A 8.02 4.10 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.57 3.86 0.00 2.12 1.97 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 109 L 7.72 4.21 0.00 1.92 1.78 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.30 4.17 0.00 1.90 2.14 0.00 3.38 0.00 0.00 3.64 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 111 N 7.85 4.84 0.00 2.77 2.92 0.00 0.00 7.02 7.54 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 0.00 112 E 7.98 4.17 0.00 1.98 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 0.00 2.34 2.42 0.00 113 K 8.61 4.19 0.00 1.73 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 114 T 7.37 4.72 4.55 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 1.37 0.00 0.00 *116 E 8.68 4.32 0.00 2.17 2.37 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 2.28 2.31 0.00 117 E 8.09 3.99 0.00 2.16 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 0.00 2.42 2.38 0.00 118 R 8.37 3.94 0.00 2.20 1.94 0.00 3.15 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 119 L 7.88 4.02 0.00 1.78 1.82 0.91 1.19 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 0.00 120 A 8.16 4.01 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.09 4.43 0.00 2.78 2.92 0.00 0.00 7.09 7.21 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 0.00 122 E 8.24 4.17 0.00 2.24 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 2.63 2.51 0.00 123 I 7.61 4.26 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.12 1.04 0.00 0.00 *125 D 8.03 4.49 0.00 2.89 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 0.00 126 A 8.12 4.02 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 0.00 127 A 8.07 4.11 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 0.00 128 N 8.23 4.73 0.00 2.83 2.82 0.00 0.00 7.00 8.69 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 0.00 129 N 7.79 4.12 0.00 2.82 2.83 0.00 0.00 6.74 7.07 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 0.00 130 T 7.75 4.48 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 1.26 0.00 0.00 131 G 8.64 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 0.00 0.00 0.00 132 A 8.52 3.57 0.73 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 0.00 133 A 7.85 3.88 1.61 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 0.00 134 V 7.59 3.58 2.17 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 0.94 0.00 0.00 0.93 0.00 0.00 135 K 7.55 4.09 0.00 1.67 1.68 0.00 1.61 0.00 0.00 1.43 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.33 7.81 136 K 7.98 3.43 0.00 1.37 0.92 0.00 0.61 0.00 0.00 0.77 0.00 0.00 2.60 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.05 0.86 7.81 137 R 7.47 4.11 0.00 2.27 2.11 0.00 3.27 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.06 0.00 138 E 8.35 4.13 0.00 2.04 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 2.25 2.49 0.00 139 D 7.93 4.32 0.00 2.54 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 0.00 140 T 7.49 3.90 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 1.47 0.00 0.00 141 H 8.27 4.45 0.00 3.41 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.26 4.13 0.00 2.03 1.84 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 *144 A 7.83 4.27 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 0.00 145 E 7.90 4.03 0.00 2.23 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 0.00 2.33 2.30 0.00 146 A 8.02 4.15 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 0.00 147 N 8.03 4.55 0.00 2.72 2.76 0.00 0.00 6.73 7.56 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 * Residues marked with a * may have inaccurate shift predictions.