NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4790 8.3344 116.8211 58.2259 63.9153 172.7241 -1 N 4.0638 8.9722 125.5654 56.4536 38.9147 175.0940 0 A 3.9354 8.0758 117.9894 52.7725 19.1211 178.1463 0 K 3.9354 8.1258 114.5894 56.4725 33.1211 176.9463 3 D 4.4492 8.1019 118.6593 57.2228 40.6405 178.6859 4 K 4.0032 7.8060 119.7731 59.2920 32.2099 178.8462 5 I 3.7123 7.7465 119.7825 64.4459 37.0432 178.3221 6 I 3.7358 7.8069 120.1594 64.2628 36.6878 177.7566 7 D 4.3124 8.2896 118.9551 57.5926 41.0892 178.1651 8 N 4.3283 8.2767 116.6776 56.1670 38.4594 177.3256 9 A 3.6770 8.2287 122.4981 54.8499 18.3596 179.4297 10 I 3.6851 8.0509 118.8259 65.0746 37.0904 178.6083 11 T 3.6994 7.3282 114.7131 66.5762 68.2787 176.7678 12 L 3.9860 7.6708 120.7042 57.8612 41.6194 179.5639 13 F 4.5055 8.4891 118.2810 60.7325 38.6419 177.9429 14 S 4.3243 8.1987 112.9611 61.1654 62.7685 176.3483 15 E 4.1074 7.7992 121.5103 58.6519 29.5046 177.8476 16 K 4.3514 7.6713 113.4825 54.8785 33.3883 177.3763 17 G 4.0743 8.6604 110.8564 44.4818 0.0000 174.3076 18 Y 3.9563 7.9532 119.2218 60.8791 38.6672 178.3234 19 D 4.3550 8.2638 117.7701 56.9200 41.0765 177.4644 20 G 3.8487 7.5655 105.3533 45.9626 0.0000 173.2645 21 T 4.4236 7.5246 117.1889 61.8203 70.6064 174.6333 22 T 4.5080 8.0751 116.3686 59.8979 72.3456 175.8212 23 L 3.8675 8.1874 121.9713 57.9551 41.5769 179.3810 24 D 4.3070 8.0438 118.4011 57.5115 40.7581 178.3573 25 D 4.2701 8.1037 119.1688 57.4699 40.7851 179.0368 26 I 3.4641 7.3794 119.2457 64.2574 37.1209 178.2858 27 A 4.0165 8.0018 121.5898 55.2010 18.1299 179.7287 28 K 3.8658 8.1696 117.2798 59.5891 31.8825 179.4830 29 S 4.0054 7.7692 112.8465 60.9458 62.7600 175.5399 30 V 4.0439 7.3081 109.6004 59.8412 32.1034 175.1096 31 N 4.1033 7.9558 118.1582 54.9557 37.4575 173.0372 32 I 4.6450 7.5423 109.7315 58.4783 41.2222 176.0718 33 K 4.1689 8.1937 120.3402 55.9895 32.8194 178.3487 34 K 3.8919 8.6423 121.8104 59.6283 32.1719 179.0896 35 A 4.2552 7.9751 120.5831 55.0534 18.3902 179.4843 36 S 2.7900 7.7319 113.5531 60.5883 62.7214 176.5567 37 L 4.0254 7.4860 122.2186 58.0210 41.1082 178.6935 38 Y 5.1455 7.4259 115.4755 59.6570 37.9784 177.1586 39 Y 4.4891 7.5628 117.0831 60.5191 37.9686 176.4612 40 H 4.7651 8.2275 113.7448 55.1937 31.3218 173.4902 41 F 4.9299 7.7867 116.9290 56.1020 42.7540 174.3476 42 D 5.0271 8.5968 121.3750 53.1412 40.1452 176.5787 43 S 4.7207 7.3789 114.0604 56.9251 66.1160 177.1632 44 K 3.8863 8.1778 123.3349 59.4352 31.8548 178.6826 45 K 4.0016 8.2062 119.5163 59.8562 32.1232 178.7369 46 S 4.3383 8.1296 115.2513 61.6533 62.6977 176.8552 47 I 3.2529 7.5390 122.7149 64.2333 36.7891 177.8605 48 Y 3.8772 8.2665 120.3298 60.6891 38.6924 177.6048 49 E 4.2438 8.4789 119.5871 60.0234 29.6646 179.6693 50 Q 4.1755 8.2277 117.6406 58.8844 28.7521 178.9982 51 S 4.1902 8.2254 116.5779 61.5031 62.9098 176.7561 52 V 3.5087 8.0209 121.4071 65.7516 31.1558 177.9810 53 K 4.2787 8.2100 119.4366 59.7561 32.0033 178.2449 54 C 4.1688 8.2439 119.0126 62.6519 31.4354 175.1512 55 C 4.3374 8.2941 120.1941 62.7369 31.1722 175.6492 56 F 4.1063 8.3754 119.3284 60.4484 38.4612 177.3653 57 D 4.4582 8.5042 118.9095 57.4731 40.4144 178.1243 58 Y 3.8674 8.0136 118.8700 60.6954 39.1431 177.9077 59 L 4.0018 8.0598 119.7770 57.9761 41.8786 179.3832 60 N 4.4824 8.7047 116.7365 56.1946 38.2164 176.8651 61 N 4.4173 7.9371 117.4539 56.0846 39.0190 176.5447 62 I 3.8654 7.2106 120.3053 63.5851 38.4980 176.8656 63 I 4.2142 7.4999 121.6959 60.2887 35.5461 175.4056 *66 N 4.7030 8.1479 122.1699 53.4943 40.8005 176.3622 67 Q 4.2951 8.2776 116.5770 58.4640 28.9439 178.7094 68 N 4.5846 8.2028 114.0811 54.9627 39.0465 175.4842 69 K 4.3504 7.2895 115.3832 58.0307 34.4076 177.0929 70 S 3.9595 7.8176 114.0468 58.0293 62.7103 173.5582 71 N 4.4846 8.6550 123.2273 52.9482 37.8469 175.2994 72 Y 3.0918 7.7061 116.3088 58.8736 36.3039 170.0362 73 S 4.5113 7.4638 115.2366 58.0301 65.1423 175.0460 74 I 3.8383 8.3145 122.3923 64.6014 36.7893 178.2384 75 D 4.3962 8.2518 118.9945 57.6058 40.6893 178.7041 76 A 4.1668 8.4392 121.2299 54.9802 18.3267 179.4588 77 L 3.0203 8.2988 119.1679 58.3748 42.0837 178.8356 78 Y 3.8274 8.1903 116.6791 61.0157 37.7344 178.4412 79 Q 4.0964 8.3810 120.6274 59.1095 29.1396 177.8896 80 F 4.3278 8.7549 122.1997 61.3242 39.3973 177.1428 81 L 3.8424 8.1866 118.5537 57.6271 41.4079 178.9601 82 F 4.0107 8.6277 120.7942 61.6822 39.2453 177.0880 83 E 4.3000 8.9822 118.3379 59.2890 28.9513 179.1477 84 F 3.7321 8.1787 120.7784 61.2703 39.2161 177.3717 85 I 2.6619 7.3988 117.8828 63.9767 36.8996 177.9334 86 F 4.0916 8.0900 117.1762 59.0365 39.1746 176.5635 87 D 4.7269 8.1842 116.5633 54.6615 41.5799 176.6458 88 I 4.0561 7.0565 121.0785 60.5314 37.2428 175.8422 89 E 4.1628 9.1499 126.2759 56.2382 30.1158 177.8396 90 E 3.9387 9.0631 123.6293 59.5947 29.3151 179.4782 91 R 3.7915 7.7051 114.7421 59.2202 29.6154 178.0585 92 Y 4.0786 7.2597 116.8170 60.7959 38.1233 177.8227 93 I 3.8777 7.7659 120.3072 64.2355 37.2324 179.5379 94 R 4.2447 7.9921 118.5475 56.2640 29.9388 178.3510 *96 Y 4.3130 7.8655 120.7400 57.6424 40.6991 177.1013 97 V 3.5865 7.9618 118.8241 66.0749 31.4585 177.9013 98 Q 4.1337 8.5445 117.8309 58.2815 28.5243 178.2562 99 L 4.0023 7.5596 119.7527 57.3847 41.3538 179.4051 100 S 4.2029 7.9043 114.9017 60.2928 62.6822 174.5871 101 N 4.8732 7.8667 117.0898 52.4250 37.3535 174.8169 102 T 3.5472 7.0981 114.9179 63.5594 69.1574 172.4740 103 P 4.3331 0.0000 0.0000 62.1693 32.4113 177.3119 104 E 3.9331 8.8003 120.1213 59.3246 29.5555 178.8287 105 E 4.1751 8.1315 115.7342 57.8665 29.7681 176.4566 106 F 5.1945 7.6733 122.3202 57.7388 40.0948 176.2113 107 S 4.0457 8.3181 117.8109 59.6555 63.8954 176.1081 108 G 3.9269 7.7638 107.9850 47.2482 0.0000 173.7542 109 N 4.8504 8.6130 121.8617 52.5025 37.9658 176.6148 110 I 3.5915 7.5811 122.4649 65.0933 37.0248 177.6133 111 Y 4.3622 8.0517 119.9360 60.4904 38.6289 177.8781 112 G 3.5214 8.0915 106.3830 47.9045 0.0000 175.5347 113 Q 3.5964 7.6421 119.7956 58.3416 28.5154 178.6989 114 I 3.9589 7.3726 120.7827 64.7733 37.2052 178.5931 115 Q 3.9014 7.8488 118.7878 58.8651 28.4488 178.4855 116 D 4.4817 8.1415 120.1220 57.1623 40.7621 178.4872 117 L 4.0614 8.0807 120.8576 58.2190 42.0794 178.4790 118 N 4.3866 8.1036 116.4650 56.8737 38.8850 176.6656 119 Q 3.9970 8.2114 119.3172 59.2893 28.8426 179.2188 120 S 4.1831 8.5979 116.3834 61.5357 62.7609 176.8582 121 L 4.1154 8.4486 122.1258 57.7741 41.4083 179.2368 122 S 4.0801 8.2959 113.2687 61.5596 62.0664 176.4036 123 K 3.9406 7.9504 119.5851 59.5136 32.1240 178.6576 124 E 4.0635 8.2835 119.5568 59.2605 29.5681 178.7634 125 I 3.9488 8.2400 120.0919 64.5505 37.1662 178.1633 126 A 4.2440 8.1728 121.4629 55.1773 17.9161 179.7710 127 K 3.7325 7.6666 115.5878 58.9599 31.9889 178.1490 128 F 4.6687 8.1250 116.2454 58.4729 39.4111 175.4429 129 Y 3.4443 7.7723 123.1089 57.4021 39.0615 174.8310 130 D 4.3056 7.1865 125.5158 52.0116 43.6248 175.3598 131 E 3.5784 8.5851 125.8318 59.2365 29.5459 178.2355 132 S 4.3243 8.0845 111.9028 59.3806 63.4612 174.4461 133 K 4.6227 8.1217 118.9963 55.5902 35.0390 175.5901 134 I 4.6666 7.4575 120.1487 59.1496 39.1698 176.5128 135 K 4.3382 8.9259 131.9888 55.1582 30.1138 175.9184 *137 T 4.1679 7.7352 113.4871 60.4147 70.5434 175.8434 138 K 2.9398 8.0058 123.2529 59.2536 32.0231 178.2738 139 E 3.8220 8.0655 119.1209 59.8909 29.3061 178.7334 140 D 4.2778 8.1653 118.4203 56.9604 40.8243 178.5687 141 F 4.0712 8.3442 121.3319 61.4545 39.4101 177.1381 142 Q 3.7301 8.3791 117.9452 59.0459 28.4279 178.7670 143 N 4.1771 7.9742 117.4048 56.0147 38.6044 177.2560 144 L 3.4719 7.8522 122.0608 58.0644 42.1536 179.1877 145 I 3.1446 7.1021 119.6486 63.9674 36.9004 178.3434 146 L 3.8748 7.7632 120.2716 57.6854 41.4475 179.6149 147 L 4.0695 7.8782 119.7758 58.5918 40.1398 179.4088 148 F 4.5559 7.6181 118.5545 60.7462 38.4297 177.6548 149 L 3.6454 7.8889 118.4896 57.5817 41.0716 179.2902 150 E 3.4127 8.3215 118.1068 58.6245 29.5868 178.9854 151 S 4.2966 8.2234 114.5556 60.7787 63.0450 176.3225 152 W 3.6683 7.7270 132.5364 60.1729 30.2951 177.1096 153 Y 4.2005 6.8692 116.5967 61.4125 37.3287 178.8844 154 L 3.7599 7.7229 120.1279 57.7532 42.2177 178.5939 155 K 3.6028 7.2940 118.1394 59.4407 31.7522 179.1096 156 A 3.0566 6.7183 119.6679 54.6419 18.3100 179.2515 157 S 4.1008 7.7776 111.6749 61.6355 62.4014 176.4311 158 F 4.5427 8.5153 120.9821 60.6973 38.5267 177.6923 159 S 4.1722 8.3950 114.0911 61.5843 62.2676 176.4319 160 Q 3.8877 7.4616 121.0149 58.7539 28.8121 177.9134 161 K 4.1026 7.5949 117.7459 57.1299 33.3745 176.9956 162 F 4.8171 8.1740 119.2332 55.3686 39.6080 176.1990 163 G 4.0511 8.8699 115.4113 44.5335 0.0000 173.1452 164 A 4.6259 8.4005 125.8255 49.1115 21.9973 176.2446 165 V 3.7669 8.3856 125.6979 65.8263 31.7216 178.1110 166 E 4.0171 8.1310 117.6043 59.3250 29.3773 178.9568 167 E 4.0495 8.1746 118.2726 59.4952 29.5366 179.4282 168 S 4.2363 8.3877 115.3537 61.4109 62.8359 176.6971 169 K 3.2480 8.1226 121.2174 59.3232 31.6717 179.3058 170 S 4.2135 7.9001 113.1299 61.4891 62.4016 175.9312 171 Q 3.9697 8.2649 122.4080 59.0603 28.7259 178.0580 172 F 4.0399 8.3857 121.7622 60.9774 39.4151 176.7762 173 K 3.3691 8.0482 119.7272 59.8077 31.8107 178.2848 174 D 4.2044 7.8775 118.7106 57.1432 40.7897 178.4938 175 E 3.7675 7.9970 119.7898 59.1588 29.5925 179.0928 176 V 2.6846 7.3104 118.5314 65.7836 31.4117 177.3405 177 Y 4.3075 8.0774 117.1517 61.3274 37.5503 178.8247 178 S 4.1785 8.0711 113.7457 61.7454 63.2343 176.4106 179 L 4.2045 7.8246 122.1548 57.3516 41.3662 179.1522 180 L 4.3725 8.2857 120.5017 58.3829 41.5096 178.6470 181 N 4.4365 8.5669 116.4119 56.4162 38.1716 177.3139 182 I 3.5840 7.3922 120.4154 63.3785 37.2164 177.2929 183 F 4.8891 8.1684 116.7916 56.0738 39.0097 174.9068 184 L 4.9098 7.1196 119.4867 53.6896 42.3385 176.7961 185 K 3.9616 9.0572 124.8534 59.0279 32.4846 177.1564 186 K 4.1101 7.8833 122.4783 56.9098 33.1071 174.5297 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 8.33 4.48 0.00 3.93 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 -1 N 8.97 4.06 0.00 2.80 2.86 0.00 0.00 7.04 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 0 A 8.08 3.94 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 0 K 8.13 3.94 0.00 1.67 1.66 0.00 0.61 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.34 7.81 3 D 8.10 4.45 0.00 2.92 2.74 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 4 K 7.81 4.00 0.00 1.97 1.80 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.53 7.81 5 I 7.75 3.71 2.25 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.54 0.82 0.00 0.00 6 I 7.81 3.74 2.11 0.00 0.00 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 1.70 1.12 1.00 0.00 0.00 7 D 8.29 4.31 0.00 2.90 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 8 N 8.28 4.33 0.00 2.83 2.75 0.00 0.00 6.97 7.01 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 9 A 8.23 3.68 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.05 3.69 1.94 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 0.77 0.54 0.00 0.00 11 T 7.33 3.70 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 1.14 0.00 0.00 12 L 7.67 3.99 0.00 1.32 1.40 0.72 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.49 4.51 0.00 3.17 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 14 S 8.20 4.32 0.00 4.05 4.07 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 15 E 7.80 4.11 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 2.28 2.37 0.00 16 K 7.67 4.35 0.00 1.69 1.77 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.30 7.81 17 G 8.66 4.07 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 0.00 18 Y 7.95 3.96 0.00 2.34 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 19 D 8.26 4.36 0.00 2.74 2.74 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 20 G 7.57 3.85 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 0.00 0.00 0.00 21 T 7.52 4.42 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 0.60 0.00 0.00 22 T 8.08 4.51 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 23 L 8.19 3.87 0.00 1.65 1.65 0.90 0.86 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 24 D 8.04 4.31 0.00 2.70 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 25 D 8.10 4.27 0.00 2.75 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 26 I 7.38 3.46 1.81 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.95 0.73 0.00 0.00 27 A 8.00 4.02 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 28 K 8.17 3.87 0.00 1.88 1.83 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.59 7.81 29 S 7.77 4.01 0.00 3.91 4.06 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 30 V 7.31 4.04 2.07 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 0.65 0.00 0.00 0.99 0.00 0.00 31 N 7.96 4.10 0.00 2.75 2.79 0.00 0.00 6.87 8.73 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 32 I 7.54 4.64 1.84 0.00 0.00 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 1.26 0.80 0.97 0.00 0.00 33 K 8.19 4.17 0.00 1.81 1.76 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.43 7.81 34 K 8.64 3.89 0.00 1.80 1.82 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.48 7.81 35 A 7.98 4.26 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 36 S 7.73 2.79 0.00 3.87 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 37 L 7.49 4.03 0.00 1.42 1.47 0.79 0.74 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 38 Y 7.43 5.15 0.00 3.24 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 39 Y 7.56 4.49 0.00 2.74 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 40 H 8.23 4.77 0.00 2.92 2.81 0.00 5.63 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.79 4.93 0.00 2.97 2.87 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 42 D 8.60 5.03 0.00 2.88 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 43 S 7.38 4.72 0.00 4.10 4.06 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 44 K 8.18 3.89 0.00 1.80 1.87 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.52 7.81 45 K 8.21 4.00 0.00 1.85 1.78 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.42 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 0.78 7.81 46 S 8.13 4.34 0.00 4.24 4.13 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 47 I 7.54 3.25 1.94 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 -0.30 0.40 0.69 0.00 0.00 48 Y 8.27 3.88 0.00 3.00 3.26 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 49 E 8.48 4.24 0.00 2.23 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 0.00 2.52 2.00 0.00 50 Q 8.23 4.18 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.75 0.00 51 S 8.23 4.19 0.00 4.05 3.98 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 52 V 8.02 3.51 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 1.15 0.00 0.00 0.21 0.00 0.00 53 K 8.21 4.28 0.00 2.09 2.01 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.53 7.81 54 C 8.24 4.17 0.00 3.30 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 55 C 8.29 4.34 0.00 3.18 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 56 F 8.38 4.11 0.00 3.33 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 57 D 8.50 4.46 0.00 2.94 2.79 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 58 Y 8.01 3.87 0.00 2.61 2.79 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 59 L 8.06 4.00 0.00 1.74 1.70 0.59 0.55 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 60 N 8.70 4.48 0.00 2.98 2.93 0.00 0.00 6.70 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 61 N 7.94 4.42 0.00 2.77 2.78 0.00 0.00 7.23 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 62 I 7.21 3.87 2.04 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.35 1.05 0.00 0.00 63 I 7.50 4.21 2.14 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 1.01 0.00 0.00 *66 N 8.15 4.70 0.00 3.17 3.16 0.00 0.00 7.06 7.33 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 67 Q 8.28 4.30 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.27 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 68 N 8.20 4.58 0.00 2.73 2.89 0.00 0.00 6.67 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 69 K 7.29 4.35 0.00 1.93 1.87 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.31 7.81 70 S 7.82 3.96 0.00 3.64 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 71 N 8.66 4.48 0.00 2.92 3.02 0.00 0.00 6.27 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 72 Y 7.71 3.09 0.00 3.06 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 73 S 7.46 4.51 0.00 4.23 4.07 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 74 I 8.31 3.84 1.94 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 1.68 1.17 1.13 0.00 0.00 75 D 8.25 4.40 0.00 2.71 2.74 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 76 A 8.44 4.17 1.55 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 0.00 0.00 0.00 77 L 8.30 3.02 0.00 1.58 1.90 0.47 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.19 3.83 0.00 3.09 2.74 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 79 Q 8.38 4.10 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 80 F 8.75 4.33 0.00 3.26 3.04 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 0.00 81 L 8.19 3.84 0.00 2.08 1.75 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.63 4.01 0.00 3.42 3.31 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 83 E 8.98 4.30 0.00 2.07 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 2.71 2.75 0.00 84 F 8.18 3.73 0.00 2.78 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 85 I 7.40 2.66 1.41 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.42 -0.43 0.00 0.00 86 F 8.09 4.09 0.00 2.55 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 87 D 8.18 4.73 0.00 2.88 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 88 I 7.06 4.06 1.92 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.21 0.98 0.00 0.00 89 E 9.15 4.16 0.00 2.28 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 2.43 2.44 0.00 90 E 9.06 3.94 0.00 2.06 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 2.51 2.37 0.00 91 R 7.71 3.79 0.00 1.73 1.84 0.00 2.74 0.00 0.00 2.97 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.74 0.00 92 Y 7.26 4.08 0.00 2.93 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 93 I 7.77 3.88 1.93 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 1.68 0.70 0.86 0.00 0.00 94 R 7.99 4.24 0.00 1.90 2.09 0.00 3.08 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 *96 Y 7.87 4.31 0.00 2.84 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 97 V 7.96 3.59 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 1.01 0.00 0.00 1.06 0.00 0.00 98 Q 8.54 4.13 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.64 2.80 0.00 99 L 7.56 4.00 0.00 1.57 1.65 0.92 0.93 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 0.00 100 S 7.90 4.20 0.00 3.92 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 0.00 101 N 7.87 4.87 0.00 2.76 2.86 0.00 0.00 6.99 8.57 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 0.00 102 T 7.10 3.55 4.03 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 0.62 0.00 0.00 103 P 0.00 4.33 0.00 2.02 1.91 0.00 2.92 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.03 0.00 104 E 8.80 3.93 0.00 2.07 2.16 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 2.34 2.23 0.00 105 E 8.13 4.18 0.00 2.11 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 2.31 0.00 106 F 7.67 5.19 0.00 2.67 2.74 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 0.00 107 S 8.32 4.05 0.00 3.94 3.85 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 0.00 108 G 7.76 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 0.00 109 N 8.61 4.85 0.00 2.84 3.04 0.00 0.00 5.97 7.32 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 0.00 110 I 7.58 3.59 1.89 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 0.90 0.00 0.00 111 Y 8.05 4.36 0.00 2.95 2.96 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 0.00 112 G 8.09 3.52 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 0.00 0.00 0.00 0.00 113 Q 7.64 3.60 0.00 1.39 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.05 2.29 0.00 114 I 7.37 3.96 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.35 0.99 0.00 0.00 115 Q 7.85 3.90 0.00 1.77 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 1.92 1.43 0.00 116 D 8.14 4.48 0.00 2.76 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 0.00 117 L 8.08 4.06 0.00 2.16 2.10 1.12 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.10 4.39 0.00 2.91 3.00 0.00 0.00 7.27 8.32 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 0.00 119 Q 8.21 4.00 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 120 S 8.60 4.18 0.00 4.05 3.98 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 0.00 121 L 8.45 4.12 0.00 1.99 1.81 1.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.30 4.08 0.00 3.87 4.03 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 0.00 123 K 7.95 3.94 0.00 1.78 1.85 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.45 7.81 124 E 8.28 4.06 0.00 2.16 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 2.32 2.38 0.00 125 I 8.24 3.95 2.01 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 1.47 0.55 0.72 0.00 0.00 126 A 8.17 4.24 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 0.00 127 K 7.67 3.73 0.00 1.02 0.74 0.00 0.89 0.00 0.00 1.19 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.11 1.40 7.81 128 F 8.13 4.67 0.00 3.57 3.28 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 0.00 129 Y 7.77 3.44 0.00 2.84 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 0.00 130 D 7.19 4.31 0.00 2.48 2.19 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 0.00 131 E 8.59 3.58 0.00 2.09 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 0.00 2.20 2.24 0.00 132 S 8.08 4.32 0.00 3.97 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 0.00 133 K 8.12 4.62 0.00 1.56 1.77 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.31 7.81 134 I 7.46 4.67 1.36 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.33 0.92 0.00 0.00 135 K 8.93 4.34 0.00 1.82 1.97 0.00 1.88 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.44 7.81 *137 T 7.74 4.17 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 1.21 0.00 0.00 138 K 8.01 2.94 0.00 0.79 1.45 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.07 7.81 139 E 8.07 3.82 0.00 1.99 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 2.33 2.38 0.00 140 D 8.17 4.28 0.00 2.80 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 0.00 141 F 8.34 4.07 0.00 3.22 3.28 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 0.00 142 Q 8.38 3.73 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 143 N 7.97 4.18 0.00 2.74 2.74 0.00 0.00 6.68 6.88 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 0.00 144 L 7.85 3.47 0.00 1.39 1.35 0.69 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 145 I 7.10 3.14 1.39 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.20 0.79 0.00 0.00 146 L 7.76 3.87 0.00 1.76 1.64 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.88 4.07 0.00 1.89 1.84 0.98 0.99 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 0.00 148 F 7.62 4.56 0.00 3.16 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 0.00 149 L 7.89 3.65 0.00 1.27 0.47 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.32 3.41 0.00 2.02 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 0.00 2.60 2.27 0.00 151 S 8.22 4.30 0.00 4.20 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 W 7.73 3.67 0.00 2.94 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 0.00 153 Y 6.87 4.20 0.00 2.98 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 0.00 154 L 7.72 3.76 0.00 1.63 1.36 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.29 3.60 0.00 1.45 1.60 0.00 1.56 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.40 1.42 7.81 156 A 6.72 3.06 0.03 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 0.00 0.00 157 S 7.78 4.10 0.00 3.92 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 0.00 158 F 8.52 4.54 0.00 3.25 3.26 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 0.00 159 S 8.40 4.17 0.00 4.05 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 0.00 160 Q 7.46 3.89 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 161 K 7.59 4.10 0.00 0.79 0.79 0.00 1.47 0.00 0.00 1.46 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.10 0.97 7.81 162 F 8.17 4.82 0.00 2.97 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 0.00 163 G 8.87 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 0.00 164 A 8.40 4.63 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 0.00 165 V 8.39 3.77 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 1.43 0.00 0.00 0.90 0.00 0.00 166 E 8.13 4.02 0.00 2.06 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 2.43 2.39 0.00 167 E 8.17 4.05 0.00 2.23 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 2.50 0.00 168 S 8.39 4.24 0.00 4.16 4.09 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 0.00 169 K 8.12 3.25 0.00 1.22 0.74 0.00 1.59 0.00 0.00 0.98 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.67 7.81 170 S 7.90 4.21 0.00 4.03 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 0.00 171 Q 8.26 3.97 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 172 F 8.39 4.04 0.00 3.34 2.79 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 0.00 173 K 8.05 3.37 0.00 1.68 1.87 0.00 0.89 0.00 0.00 0.90 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.56 1.49 7.81 174 D 7.88 4.20 0.00 2.81 2.66 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 0.00 0.00 0.00 0.00 175 E 8.00 3.77 0.00 1.94 1.78 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 2.07 2.23 0.00 176 V 7.31 2.68 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 0.18 0.00 0.00 -0.45 0.00 0.00 177 Y 8.08 4.31 0.00 3.17 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 0.00 178 S 8.07 4.18 0.00 4.02 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 0.00 179 L 7.82 4.20 0.00 2.02 2.07 1.03 0.39 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 0.00 180 L 8.29 4.37 0.00 1.90 1.64 1.16 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 181 N 8.57 4.44 0.00 3.00 2.90 0.00 0.00 7.01 6.87 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 0.00 182 I 7.39 3.58 0.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.54 0.12 0.00 0.00 183 F 8.17 4.89 0.00 3.21 3.15 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 0.00 184 L 7.12 4.91 0.00 1.72 1.66 1.14 1.00 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 0.00 185 K 9.06 3.96 0.00 1.72 1.85 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.51 7.81 186 K 7.88 4.11 0.00 1.87 1.73 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.