NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5812 8.1776 116.7978 59.0337 64.2042 174.7801 3 T 4.0458 8.7201 113.6099 61.6356 68.2259 172.4713 4 I 2.0000 7.2706 122.5388 60.9269 38.9835 175.0309 5 P 4.3204 0.0000 0.0000 62.6404 31.9126 176.7202 6 S 4.3659 8.5060 115.2499 59.6830 63.8122 173.5781 7 E 4.8209 7.7365 120.4728 54.7084 31.2379 176.0024 8 I 3.9573 8.4277 123.8207 63.6292 38.4223 175.9826 9 I 4.4469 7.4889 120.8988 59.2120 40.3284 175.4943 10 N 4.5631 9.1877 126.8403 52.3786 38.6723 175.5972 11 W 4.1465 8.6999 127.7089 59.1685 29.1093 178.3713 12 T 4.1431 7.9523 108.8194 64.2076 68.4807 176.3191 13 I 3.9692 7.5728 122.4690 64.0099 37.4953 177.7413 14 L 3.8977 7.6588 120.7461 58.0684 41.7944 178.5742 15 N 4.4779 8.8476 117.0684 56.5383 38.2666 177.1181 16 E 4.0938 7.9044 118.9848 58.9514 29.6843 178.9022 17 I 4.1520 7.6245 119.7245 64.0871 37.4643 178.1168 18 I 3.9264 8.1471 120.9960 64.2986 36.6591 178.2905 19 S 4.4031 8.3804 116.2680 61.6424 62.3646 175.7207 20 M 4.5687 7.5509 118.8030 55.5122 31.9974 176.8748 21 D 5.2209 8.5928 120.6087 55.8207 41.5083 178.3078 22 D 4.3895 7.7043 117.8701 57.1314 40.7743 177.2241 23 D 4.7036 7.9066 114.5143 54.0934 41.8404 176.3041 24 D 4.4631 7.8165 120.0612 52.8927 42.2752 175.3745 25 S 4.2742 8.8424 121.2456 61.0647 62.5963 175.2815 26 D 5.0044 7.8709 117.7215 54.5273 40.9900 178.5557 27 F 4.5862 8.0527 121.9207 61.0413 39.5804 176.2051 28 S 3.6680 9.2580 113.9473 61.3645 63.0144 176.5392 29 K 3.7270 8.3051 122.7321 58.7618 31.9208 178.8611 30 G 3.5981 8.1485 106.5122 47.3113 0.0000 175.8124 31 L 3.8604 7.5114 120.7623 57.7062 41.7085 179.1951 32 I 3.6867 7.5410 119.5839 64.8561 37.0117 178.5434 33 I 3.8227 7.6817 119.8588 63.8086 36.8650 178.3810 34 Q 3.9308 7.9842 121.0166 59.0235 28.9467 177.7844 35 F 4.1220 8.6747 122.1299 61.4707 39.3148 177.0913 36 I 3.9477 7.9652 119.3711 64.3232 36.8246 177.8764 37 D 4.2999 7.6517 118.3349 56.9942 41.1128 178.2739 38 Q 3.8981 7.9081 118.3579 58.8517 28.7278 178.5530 39 A 3.1445 7.6082 121.8376 55.1494 17.6498 179.7259 40 Q 3.8325 7.2673 116.2829 59.3111 28.7290 179.3896 41 T 3.9496 7.4419 116.6415 66.4910 68.5487 177.1454 42 T 3.8598 7.8240 111.8454 64.5148 68.9173 176.5893 43 F 4.4832 7.7466 120.5791 60.8042 38.9834 177.6947 44 A 4.0430 7.8059 119.0701 55.1464 17.8530 179.7542 45 Q 3.9690 8.0006 116.7152 59.2434 28.7512 178.6856 46 M 4.1608 8.7390 120.2459 58.4114 31.8783 178.5969 47 Q 4.0113 8.4072 119.8504 58.9143 29.2383 178.0657 48 R 3.9067 8.0661 119.9048 58.7794 29.9413 178.2292 49 Q 4.0667 7.6023 118.3008 58.7719 29.0030 177.4462 50 L 3.9260 7.5979 118.7254 57.8799 41.7638 178.1304 51 D 4.7204 7.7966 115.9789 54.6889 42.8662 177.0573 52 G 3.8837 7.8463 102.6516 45.7040 0.0000 173.8477 53 E 3.9391 9.5592 123.0775 57.0960 30.8246 175.5652 54 K 3.7738 7.8408 116.9960 57.1484 30.4746 175.7528 55 N 4.6697 7.6451 116.9910 52.4372 39.8248 174.1602 56 L 4.1179 8.4065 128.7667 57.4924 41.7038 179.5495 57 T 3.9082 8.4211 116.6985 66.3669 68.3853 176.2740 58 E 3.9341 8.3975 120.0257 59.8574 29.7022 179.5467 59 L 4.0436 7.8398 117.8810 57.3681 41.5628 179.3495 60 D 4.2713 7.7348 118.5874 57.3614 41.1601 177.9681 61 N 4.3886 8.4214 117.3097 56.3496 38.6566 177.4141 62 L 4.1296 8.3958 120.9530 57.8775 41.5942 179.9278 63 G 3.6736 8.1131 105.2022 47.7165 0.0000 175.4011 64 H 4.2115 8.2325 120.7212 59.0746 30.0013 176.8335 65 F 4.0061 8.4651 122.7006 61.4898 39.2695 176.9641 66 L 3.7734 8.0514 119.3979 57.6848 41.8115 178.9027 67 K 4.0667 7.8590 120.2192 59.0122 32.1941 179.1895 68 G 3.3626 7.6341 106.1880 47.7617 0.0000 175.6093 69 S 3.9303 7.4226 118.0760 61.3908 62.7961 177.1136 70 S 3.4046 7.8764 116.2375 61.3094 62.2819 176.3436 71 A 3.8499 7.8868 124.1335 54.5585 17.7949 179.4871 72 A 3.8536 7.4620 119.6411 54.8172 18.5404 178.2594 73 L 4.1153 7.2293 112.0667 54.4886 42.0479 177.3810 74 G 3.6907 7.6315 107.0721 46.0158 0.0000 173.9640 75 L 4.6077 7.6271 122.9566 53.3889 40.2549 177.1405 76 Q 4.1679 8.2564 120.2364 58.0137 29.0835 178.2856 77 R 4.1435 7.8594 120.0335 58.8298 30.3932 178.5316 78 I 3.9067 7.8094 119.1689 64.2573 37.1153 178.1401 79 A 4.0078 7.9048 121.7387 54.8291 18.3144 179.3342 80 W 4.1024 8.1752 126.4923 60.8453 30.6977 178.4077 81 V 3.7243 8.1362 117.9711 66.1821 30.9945 177.8109 82 C 4.1234 8.2467 116.6912 62.7112 27.9534 175.5648 83 E 3.8692 8.4075 121.1727 59.3231 29.0778 179.2290 84 R 3.7024 7.4835 117.9347 59.0438 30.1047 178.8486 85 I 3.6013 7.7950 119.8278 64.4772 37.1079 178.3707 86 Q 3.8926 8.1076 118.6830 59.1856 28.6417 178.4921 87 N 4.2883 8.1164 117.2826 56.4502 38.5561 177.5695 88 L 4.1753 8.4113 120.9703 57.4916 41.4898 179.4040 89 G 3.7066 7.8208 104.3352 46.4361 0.0000 174.9330 90 R 4.2907 7.3890 117.6962 54.6043 30.9858 175.9586 91 K 3.3556 7.1277 116.9494 57.7259 30.1606 175.4798 92 M 4.4390 7.9292 116.7794 55.3334 33.5233 176.5863 93 E 4.8038 7.7673 116.5702 54.9669 33.1082 175.0161 94 H 5.1449 8.9116 115.9109 55.2305 30.7955 172.7895 95 F 5.0639 7.7928 113.3825 55.5441 40.8155 173.3035 96 F 4.3616 8.4505 121.9759 55.6616 42.0816 172.3970 97 P 4.4842 0.0000 0.0000 62.4906 31.9021 176.2614 98 N 4.7812 8.3354 117.1499 52.3501 40.8338 176.3633 99 K 3.9414 8.6018 122.8594 60.2454 32.1535 179.0944 100 T 3.8349 7.8839 115.3501 66.6052 68.1965 175.9346 101 E 3.9148 8.0745 119.5074 59.2446 29.9770 178.5141 102 L 4.0192 7.6608 118.9016 57.8253 41.3276 179.5645 103 V 3.6421 8.4305 118.3060 65.7246 31.1229 177.0083 104 N 4.5280 7.7719 115.1686 55.3574 38.9919 175.5732 105 T 4.1042 7.6311 108.9512 62.8738 69.5322 175.1964 106 L 4.1218 7.1813 122.2370 55.0701 42.1436 177.0449 107 S 4.1583 9.1661 118.9589 60.7234 62.2766 173.9729 108 D 4.6637 7.8179 119.4011 52.5723 43.1905 175.2176 109 K 4.3152 8.5988 125.1731 56.8338 32.8508 178.8528 110 S 4.1631 8.5588 116.8122 61.0596 62.8591 176.2124 111 I 3.8939 7.2272 119.6038 62.7085 37.8199 176.1039 112 I 4.4285 7.4867 113.1388 60.5743 37.5449 175.1613 113 N 4.4097 8.0509 120.1329 55.2840 38.5331 176.3309 114 G 3.9718 9.1035 112.8865 45.0447 0.0000 173.1985 115 I 4.1395 6.9071 111.7893 59.6828 39.1866 175.2397 116 N 4.7299 8.0292 120.1636 51.5812 38.4149 175.4097 117 I 3.6738 8.3578 119.2776 62.7844 37.6667 176.3303 118 D 4.8810 7.8690 120.2639 54.2489 41.3777 177.4092 119 E 3.9180 8.9402 122.1008 59.7733 29.3688 178.1678 120 D 4.7658 7.8508 113.7654 53.9606 41.3418 176.4546 121 D 4.6319 7.6650 120.5896 54.4064 41.2926 175.5761 122 E 4.5203 8.7106 123.4492 54.3376 30.9800 175.9256 123 E 3.8850 8.6193 124.1651 56.4377 30.1537 176.6797 124 I 4.0400 8.3646 129.6132 61.2913 36.7398 177.3708 125 K 4.6136 8.3691 134.6594 54.0858 31.7404 174.4958 126 I 4.6637 7.1568 119.3853 59.0323 39.8862 178.0778 *131 K 4.3885 8.5216 122.8168 54.2598 33.9250 175.7531 132 D 4.4763 6.9696 115.4106 53.9187 44.7303 176.5715 133 E 3.9963 8.9629 123.7776 59.0308 29.9570 177.5202 134 N 4.8745 8.4438 114.8889 54.3676 39.5884 176.9801 135 S 4.1150 7.7367 115.5901 62.0038 62.9493 176.4742 136 I 3.7531 7.6419 120.2934 63.8452 37.8065 177.2888 137 Y 4.0820 8.0138 117.8929 60.6313 37.7390 177.8932 138 L 4.0735 7.9514 119.6800 57.7360 41.7355 179.3667 139 I 3.7850 7.7144 119.5087 64.1389 37.1409 178.2702 140 L 4.1640 7.8524 119.2333 57.2137 41.4635 179.4485 141 I 3.5695 7.8927 119.9548 64.1760 37.0321 178.2540 142 A 3.9238 8.0222 121.4392 54.6922 18.0125 179.8799 143 K 3.9306 7.7427 116.9678 59.4682 32.2526 179.3985 144 A 3.0610 7.3297 120.6728 54.4259 17.9837 179.4980 145 L 3.7593 7.9644 119.4789 58.2923 41.8847 178.9039 146 N 4.2475 7.6795 115.6616 55.8274 38.4195 177.0390 147 Q 4.2018 7.8327 120.9301 58.7755 29.1258 178.1291 148 S 4.2350 7.9619 116.5649 61.5442 62.9657 176.6817 149 R 3.7643 7.7636 120.9654 59.0239 29.7300 178.9435 150 L 4.0264 7.6375 118.8577 58.2505 42.1367 178.9078 151 E 4.0998 8.4967 118.6320 59.0885 29.3636 179.0529 152 F 4.5645 8.6428 121.0273 61.4418 39.4888 177.0709 153 K 3.7586 8.1083 118.8908 59.5777 32.0011 178.7655 154 L 3.9844 8.0648 118.8571 57.3905 41.4471 179.3858 155 A 4.0149 7.9797 121.1933 55.0198 18.3863 179.8937 156 R 3.6984 7.8570 116.4880 59.4411 29.9427 179.1358 157 I 3.5692 7.4026 118.1761 64.6258 37.3396 177.8887 158 E 4.1588 8.1915 119.8151 59.1220 29.4747 178.6236 159 L 4.4569 8.1146 118.9274 57.3627 41.2399 179.2236 160 S 4.4808 8.0181 116.7490 60.9867 62.4947 176.6776 161 K 3.8243 7.4943 119.7710 58.8402 31.6798 177.7873 162 Y 4.6034 7.9341 114.7879 58.1630 39.5088 176.0072 163 Y 4.2314 8.0355 115.4422 56.7747 38.3694 175.1706 164 N 4.8393 7.7609 114.9615 53.6891 36.8876 173.7733 165 T 4.5218 7.2955 108.7741 60.6448 70.6291 172.1779 166 N 4.7206 8.6191 124.1720 53.1763 38.3767 174.8612 167 L 4.6460 8.8162 126.2442 54.9885 41.8601 177.1327 168 H 4.4582 7.8769 120.6295 55.7936 28.6084 173.0502 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 S 8.18 4.58 0.00 4.47 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 3 T 8.72 4.05 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 1.27 0.00 0.00 4 I 7.27 2.00 0.56 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.08 0.54 0.00 0.00 5 P 0.00 4.32 0.00 2.00 1.91 0.00 3.44 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 6 S 8.51 4.37 0.00 4.03 4.08 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 7 E 7.74 4.82 0.00 1.97 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 0.00 2.25 2.27 0.00 8 I 8.43 3.96 1.90 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 1.36 0.88 0.92 0.00 0.00 9 I 7.49 4.45 1.23 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 0.96 0.49 -0.32 0.00 0.00 10 N 9.19 4.56 0.00 2.78 2.61 0.00 0.00 6.98 5.12 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 11 W 8.70 4.15 0.00 3.41 3.17 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 12 T 7.95 4.14 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 1.26 0.00 0.00 13 I 7.57 3.97 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.86 0.00 0.00 14 L 7.66 3.90 0.00 1.41 1.31 0.79 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.85 4.48 0.00 3.03 2.94 0.00 0.00 6.99 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 16 E 7.90 4.09 0.00 2.02 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 2.37 2.42 0.00 17 I 7.62 4.15 2.03 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 1.81 0.91 0.84 0.00 0.00 18 I 8.15 3.93 2.13 0.00 0.00 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 1.71 0.89 0.99 0.00 0.00 19 S 8.38 4.40 0.00 4.08 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 20 M 7.55 4.57 0.00 1.73 2.33 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 21 D 8.59 5.22 0.00 2.98 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 22 D 7.70 4.39 0.00 2.71 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 23 D 7.91 4.70 0.00 2.57 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 24 D 7.82 4.46 0.00 2.56 2.48 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 25 S 8.84 4.27 0.00 3.91 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 26 D 7.87 5.00 0.00 2.76 2.73 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 27 F 8.05 4.59 0.00 3.17 3.39 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 28 S 9.26 3.67 0.00 4.11 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 0.00 29 K 8.31 3.73 0.00 2.15 1.95 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.65 7.81 30 G 8.15 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 3.86 0.00 1.59 1.55 0.55 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.54 3.69 1.74 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 1.32 0.55 0.75 0.00 0.00 33 I 7.68 3.82 1.94 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 1.39 0.83 0.91 0.00 0.00 34 Q 7.98 3.93 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 35 F 8.67 4.12 0.00 3.09 3.24 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 36 I 7.97 3.95 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 1.43 1.04 0.99 0.00 0.00 37 D 7.65 4.30 0.00 2.82 2.73 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 38 Q 7.91 3.90 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 39 A 7.61 3.14 -0.17 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 40 Q 7.27 3.83 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 41 T 7.44 3.95 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 1.12 0.00 0.00 42 T 7.82 3.86 4.20 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 1.22 0.00 0.00 43 F 7.75 4.48 0.00 2.94 3.07 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 44 A 7.81 4.04 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 45 Q 8.00 3.97 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 46 M 8.74 4.16 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.57 0.00 47 Q 8.41 4.01 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 48 R 8.07 3.91 0.00 2.17 1.97 0.00 3.12 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 49 Q 7.60 4.07 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.50 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 50 L 7.60 3.93 0.00 1.82 1.73 0.91 1.15 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 51 D 7.80 4.72 0.00 2.61 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 52 G 7.85 3.88 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 0.00 0.00 0.00 53 E 9.56 3.94 0.00 1.93 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 0.00 2.28 2.32 0.00 54 K 7.84 3.77 0.00 1.91 1.86 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.60 7.81 55 N 7.65 4.67 0.00 2.75 2.85 0.00 0.00 7.29 6.54 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 56 L 8.41 4.12 0.00 1.68 1.81 0.86 0.78 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 57 T 8.42 3.91 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 1.19 0.00 0.00 58 E 8.40 3.93 0.00 2.19 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 2.39 2.43 0.00 59 L 7.84 4.04 0.00 1.71 1.71 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.73 4.27 0.00 2.84 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 61 N 8.42 4.39 0.00 2.89 2.87 0.00 0.00 7.09 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 62 L 8.40 4.13 0.00 1.68 1.74 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.11 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 0.00 0.00 0.00 64 H 8.23 4.21 0.00 3.59 3.51 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.47 4.01 0.00 3.06 3.21 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 66 L 8.05 3.77 0.00 2.00 1.66 0.84 -0.01 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 67 K 7.86 4.07 0.00 1.89 1.93 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 68 G 7.63 3.36 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 0.00 69 S 7.42 3.93 0.00 3.79 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 70 S 7.88 3.40 0.00 4.06 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 71 A 7.89 3.85 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 72 A 7.46 3.85 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 73 L 7.23 4.12 0.00 1.27 1.43 0.63 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.63 3.69 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 0.00 0.00 0.00 75 L 7.63 4.61 0.00 1.55 1.53 0.54 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.26 4.17 0.00 2.38 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 77 R 7.86 4.14 0.00 1.91 2.16 0.00 3.10 0.00 0.00 3.55 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 78 I 7.81 3.91 2.10 0.00 0.00 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 1.81 0.69 1.15 0.00 0.00 79 A 7.90 4.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 W 8.18 4.10 0.00 3.55 3.41 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 81 V 8.14 3.72 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 1.17 0.00 0.00 1.49 0.00 0.00 82 C 8.25 4.12 0.00 3.22 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 3.87 0.00 2.06 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 2.15 2.28 0.00 84 R 7.48 3.70 0.00 1.79 1.78 0.00 2.21 0.00 0.00 2.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.97 0.00 85 I 7.79 3.60 1.97 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 1.35 0.75 0.89 0.00 0.00 86 Q 8.11 3.89 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 87 N 8.12 4.29 0.00 2.66 2.79 0.00 0.00 7.16 6.54 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 88 L 8.41 4.18 0.00 1.82 1.77 0.79 0.94 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 89 G 7.82 3.71 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 0.00 0.00 0.00 90 R 7.39 4.29 0.00 1.87 1.89 0.00 3.26 0.00 0.00 3.18 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 91 K 7.13 3.36 0.00 1.58 1.47 0.00 1.42 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.77 7.81 92 M 7.93 4.44 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 93 E 7.77 4.80 0.00 1.81 1.70 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 2.17 2.22 0.00 94 H 8.91 5.14 0.00 3.25 3.39 0.00 5.87 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 7.79 5.06 0.00 3.16 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 96 F 8.45 4.36 0.00 2.85 2.94 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 97 P 0.00 4.48 0.00 1.82 1.94 0.00 2.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.24 0.00 98 N 8.34 4.78 0.00 2.79 2.75 0.00 0.00 6.44 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 99 K 8.60 3.94 0.00 1.87 1.85 0.00 1.88 0.00 0.00 1.98 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.61 7.81 100 T 7.88 3.83 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 1.21 0.00 0.00 101 E 8.07 3.91 0.00 1.95 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 2.27 2.39 0.00 102 L 7.66 4.02 0.00 1.83 1.78 0.77 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.43 3.64 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 1.00 0.00 0.00 0.97 0.00 0.00 104 N 7.77 4.53 0.00 3.05 2.80 0.00 0.00 7.22 9.06 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 0.00 105 T 7.63 4.10 4.14 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 1.20 0.00 0.00 106 L 7.18 4.12 0.00 1.81 1.67 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 107 S 9.17 4.16 0.00 3.89 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 0.00 108 D 7.82 4.66 0.00 2.75 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 0.00 109 K 8.60 4.32 0.00 1.86 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.45 7.81 110 S 8.56 4.16 0.00 4.09 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 0.00 111 I 7.23 3.89 1.90 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 1.38 0.63 1.00 0.00 0.00 112 I 7.49 4.43 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 1.52 0.81 0.92 0.00 0.00 113 N 8.05 4.41 0.00 2.91 2.80 0.00 0.00 7.15 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 9.10 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 0.00 115 I 6.91 4.14 2.05 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 1.20 0.69 0.98 0.00 0.00 116 N 8.03 4.73 0.00 2.90 2.76 0.00 0.00 7.26 7.70 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 0.00 117 I 8.36 3.67 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 1.43 0.72 0.93 0.00 0.00 118 D 7.87 4.88 0.00 2.71 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 0.00 119 E 8.94 3.92 0.00 1.88 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 2.37 2.56 0.00 120 D 7.85 4.77 0.00 2.66 2.70 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 0.00 121 D 7.67 4.63 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.52 0.00 1.93 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 2.25 2.35 0.00 123 E 8.62 3.88 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 124 I 8.36 4.04 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 1.26 0.66 0.91 0.00 0.00 125 K 8.37 4.61 0.00 1.75 1.63 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 0.97 7.81 126 I 7.16 4.66 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 1.27 1.23 0.91 0.00 0.00 *131 K 8.52 4.39 0.00 1.79 1.80 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 132 D 6.97 4.48 0.00 2.84 2.50 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 0.00 133 E 8.96 4.00 0.00 2.00 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 2.37 2.38 0.00 134 N 8.44 4.87 0.00 3.07 2.92 0.00 0.00 6.90 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 0.00 135 S 7.74 4.11 0.00 4.03 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 0.00 136 I 7.64 3.75 1.75 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 1.46 0.95 0.41 0.00 0.00 137 Y 8.01 4.08 0.00 3.29 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 0.00 138 L 7.95 4.07 0.00 1.85 1.72 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.71 3.79 1.98 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 1.51 1.42 0.91 0.00 0.00 140 L 7.85 4.16 0.00 1.70 1.71 0.89 0.70 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 0.00 141 I 7.89 3.57 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 1.39 0.83 0.85 0.00 0.00 142 A 8.02 3.92 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 0.00 143 K 7.74 3.93 0.00 1.96 1.99 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.63 7.81 144 A 7.33 3.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.96 3.76 0.00 1.64 1.55 0.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 146 N 7.68 4.25 0.00 3.03 3.03 0.00 0.00 6.67 7.57 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 0.00 147 Q 7.83 4.20 0.00 2.40 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.78 2.66 0.00 148 S 7.96 4.23 0.00 3.84 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.76 3.76 0.00 1.70 1.91 0.00 3.14 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.36 0.00 150 L 7.64 4.03 0.00 1.83 1.86 0.95 0.99 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 0.00 151 E 8.50 4.10 0.00 2.33 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 2.75 2.61 0.00 152 F 8.64 4.56 0.00 3.48 3.46 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 0.00 153 K 8.11 3.76 0.00 1.93 1.98 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 154 L 8.06 3.98 0.00 1.92 1.72 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 155 A 7.98 4.01 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 0.00 0.00 156 R 7.86 3.70 0.00 1.73 1.75 0.00 3.14 0.00 0.00 2.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.11 0.00 157 I 7.40 3.57 1.83 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 1.30 0.47 0.91 0.00 0.00 158 E 8.19 4.16 0.00 2.22 2.25 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 2.44 2.68 0.00 159 L 8.11 4.46 0.00 1.83 1.79 0.88 0.92 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 0.00 160 S 8.02 4.48 0.00 4.14 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 0.00 161 K 7.49 3.82 0.00 0.97 1.22 0.00 1.44 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.34 1.39 7.81 162 Y 7.93 4.60 0.00 3.20 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 0.00 163 Y 8.04 4.23 0.00 3.13 3.07 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 0.00 164 N 7.76 4.84 0.00 2.88 2.87 0.00 0.00 6.60 7.42 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 0.00 165 T 7.30 4.52 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 1.33 0.00 0.00 166 N 8.62 4.72 0.00 2.82 2.73 0.00 0.00 6.91 6.66 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 0.00 167 L 8.82 4.65 0.00 1.80 1.62 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 168 H 7.88 4.46 0.00 2.98 3.04 0.00 5.59 0.00 0.00 0.00 0.00 6.91 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.