NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3642 8.3044 120.3493 55.2869 33.4028 174.3820 2 M 3.9662 8.5324 117.5093 55.8660 32.6003 172.7346 3 E 4.6652 9.2772 123.0061 54.8065 33.1561 175.2586 4 Q 4.4733 8.0715 119.3784 54.6077 30.6417 176.8604 5 V 3.4716 8.5366 121.4779 66.7304 31.4425 177.9670 6 C 3.9407 8.2843 113.2833 61.7777 29.1001 175.4253 7 D 4.1174 7.9304 119.7803 56.9849 40.7201 178.1271 8 V 3.2121 7.2701 116.9188 65.7948 31.4673 177.0733 9 F 4.7437 7.5656 114.8472 55.4565 40.5972 175.5548 10 D 3.9968 7.4207 117.8814 55.1378 38.5174 172.2501 11 I 4.7047 7.6912 119.8792 60.0339 39.3207 176.0778 12 Y 5.5170 9.1523 123.7982 56.1718 42.6181 174.1233 13 A 5.3614 9.1548 122.0214 50.4829 22.3791 175.3418 14 I 5.4612 8.8570 120.4466 59.7518 41.3840 174.0144 15 C 4.9636 9.1499 122.7286 57.3725 33.6562 172.2124 16 A 4.8998 8.2426 119.3394 50.5027 21.6534 175.4302 17 C 5.3435 8.8900 119.8213 58.2246 32.7156 173.5673 18 C 5.6481 8.9136 117.6954 55.9820 32.8264 172.5740 19 K 4.8835 8.6791 117.3013 55.0569 33.2627 176.4565 20 V 4.3907 8.1024 122.6739 61.8419 32.9582 175.9893 21 E 4.2798 8.6953 127.5887 56.9991 29.8683 176.6948 22 S 3.9570 7.6112 112.8321 59.1843 62.5945 173.9429 23 K 4.1084 8.5811 127.0567 56.3185 31.8540 176.2176 24 N 4.3549 8.5034 123.0665 53.0237 37.7256 175.0392 25 E 4.4742 8.8086 122.4593 56.1729 30.0929 177.6538 26 G 4.2469 7.7959 104.2814 43.7434 0.0000 174.4576 27 K 4.5038 7.9689 119.5971 58.4766 32.7691 176.1347 28 K 3.9336 7.4782 118.2277 56.8947 32.0274 176.1260 29 N 4.1117 8.5899 126.0119 53.9346 34.9091 173.7500 30 E 4.2777 7.5222 115.3422 54.9859 31.9950 176.0850 31 V 4.0486 7.5864 118.9842 61.4382 32.9207 175.0797 32 F 5.0673 8.1608 123.8400 56.0487 42.2751 173.7112 33 N 4.8758 8.9565 119.3305 52.1102 40.3756 175.1110 34 N 4.4526 8.9896 115.2165 56.8251 38.5534 176.8432 35 Y 4.5397 7.9622 117.1997 60.1342 38.7492 177.2646 36 T 3.7752 8.5206 117.0758 66.3714 68.5916 173.4485 37 F 4.8344 8.3303 121.4037 56.4507 38.3268 175.6622 38 R 4.9321 8.3616 119.1192 55.6653 32.8971 174.7512 39 G 4.0217 8.9019 109.5118 47.1848 0.0000 174.1214 40 L 4.4115 8.6324 126.5557 56.3327 42.9096 176.9902 41 G 3.9634 7.3100 102.9503 45.6529 0.0000 170.7151 42 N 5.1954 9.4287 116.1889 54.3724 41.7957 174.5435 43 K 3.5265 10.7800 127.1626 57.5765 30.1667 176.7106 44 G 3.9064 8.6410 105.7286 45.5254 0.0000 173.4992 45 V 4.3928 7.1891 112.0120 59.0340 35.8249 174.4116 46 L 3.7624 7.7691 119.8206 53.9259 41.8438 176.8279 47 P 4.0091 0.0000 0.0000 64.7688 31.3407 177.1814 48 W 3.8674 6.1166 111.9329 55.2592 28.0123 175.8425 49 K 3.7706 7.4814 120.6308 56.5025 30.8573 175.2695 50 C 4.7823 7.6396 120.3937 57.3534 35.4684 174.2649 51 N 4.9690 8.6315 122.7308 51.1837 40.9662 175.0389 52 S 4.1463 9.0595 125.2364 61.3768 63.0017 176.2763 53 L 3.8785 7.8156 123.9795 58.0057 41.8879 178.4544 54 D 4.5722 8.6856 118.2508 57.5013 41.0513 177.9047 55 M 4.0934 8.0678 118.7513 58.4948 32.2130 178.1351 56 K 3.8873 8.3357 120.0847 59.5495 32.2566 178.2228 57 Y 3.7784 8.1206 119.9466 60.5572 38.6762 177.5334 58 F 3.9141 8.7940 122.0659 61.3763 39.4095 176.6971 59 C 3.7520 8.3649 118.1908 62.1443 31.4706 175.3501 60 A 3.7803 7.8321 122.4788 55.0637 17.7283 179.8650 61 V 3.0403 7.0259 115.8679 66.0346 31.6562 178.0077 62 T 3.1575 6.9234 107.0552 63.0663 68.7480 175.4622 63 T 4.3314 7.0135 110.8464 61.2119 70.2516 174.2365 64 Y 4.0226 7.2218 123.5222 57.5430 39.2487 175.2139 65 V 3.2306 6.9592 125.3571 60.4837 34.8914 174.2853 66 N 4.3755 5.9661 123.2890 50.8885 40.0064 174.2803 67 E 3.9646 8.5040 126.7122 59.4043 29.3996 179.1671 68 S 4.3283 7.8513 112.7015 60.3255 63.5296 175.5664 69 K 4.4339 8.1699 121.3864 57.0406 32.3920 177.7859 70 Y 4.4480 7.9303 120.9056 60.8493 38.7670 177.3612 71 E 3.6579 8.3334 119.0698 59.6213 29.5596 179.2523 72 K 3.9321 8.0770 118.5882 59.7001 32.1390 178.5612 73 L 3.9607 7.4144 118.1293 57.2160 41.4343 179.2963 74 K 3.6034 7.9904 119.9956 59.4367 32.1177 178.1396 75 Y 4.0065 8.2249 120.1306 60.5536 38.7211 177.7258 76 K 3.5941 7.9677 120.4386 59.8240 32.0166 178.8743 77 R 3.7555 7.7170 116.5968 59.1956 30.1443 178.6083 78 C 4.2259 8.2053 116.7925 62.7708 28.2346 175.7660 79 K 3.5592 8.0520 121.3575 59.9877 31.3731 178.0523 80 Y 4.0433 7.7819 118.2576 59.6606 39.0423 176.8497 81 L 4.3244 7.9246 118.3520 53.5841 41.8044 176.9294 82 N 4.0565 7.4580 114.0728 53.7958 36.6433 173.9607 83 K 4.4899 6.9079 117.3996 54.7838 34.3860 174.7481 84 E 4.7418 7.8685 115.8280 56.8434 31.0688 175.8745 85 T 4.4023 8.2205 116.5524 62.2365 71.3509 174.2617 *96 K 4.2320 8.0412 119.5509 56.8507 32.6445 175.2208 97 K 4.1516 8.4457 123.8485 56.2952 33.0203 177.2805 98 L 3.9260 8.2171 127.3296 55.6288 42.5671 175.8045 99 Q 4.6740 8.1735 122.3849 54.5967 33.9511 173.6532 100 N 5.1293 8.7118 117.7534 52.5029 41.5228 174.0333 101 V 4.8144 8.9759 120.0847 61.3345 34.4874 174.6617 102 V 5.0484 8.8173 119.9918 59.5576 35.2348 174.5647 103 V 4.9423 9.0139 125.6854 61.2769 33.9699 174.2427 104 M 5.2979 9.0259 124.2010 53.5837 35.4028 174.6095 105 G 4.1398 8.6442 106.7568 45.4451 0.0000 174.9322 106 R 4.1673 8.5737 120.6044 59.9889 29.7898 179.0958 107 T 3.9447 7.9220 113.4802 66.8251 68.7726 176.3220 108 S 4.3634 8.0212 117.9277 60.7109 62.8057 176.2280 109 W 4.2178 8.5163 131.1887 60.6789 30.2753 177.7329 110 E 4.0589 8.2858 116.8827 58.3342 29.0570 178.4915 111 S 4.3106 7.8787 113.7472 58.5444 63.5643 173.8152 112 I 4.0707 6.6454 124.4974 59.6545 37.9663 174.0486 113 P 4.2618 0.0000 0.0000 62.3401 32.2014 177.2012 114 K 3.8254 8.7337 124.7288 59.4747 32.1789 178.2078 115 K 3.9470 7.6885 114.9960 58.5007 32.4467 176.9626 116 F 4.9042 8.2857 118.1920 57.2033 40.0400 174.9733 117 K 4.6545 7.6207 121.2036 53.7688 33.4117 174.7006 118 P 4.8114 0.0000 0.0000 61.8594 32.5131 176.0703 119 L 4.4415 9.3350 119.8676 54.3367 42.0244 177.5092 120 S 4.2775 8.7128 118.2058 59.7785 63.3871 173.4033 121 N 4.5392 8.8605 117.4184 53.1896 36.0680 173.9840 122 R 4.8753 7.4347 114.3887 54.5153 34.6211 175.2291 123 I 4.1682 8.7480 124.0613 60.9524 38.2673 174.8488 124 N 5.1259 8.8419 125.5824 52.6252 40.3057 174.5134 125 V 4.9024 8.8266 122.9087 61.0942 35.0812 174.0845 126 I 4.9934 8.5401 128.0281 59.4463 40.6552 174.3414 127 L 4.9566 8.6889 127.0795 53.9441 43.4430 175.7099 128 S 4.7318 8.8031 116.1496 58.0443 65.8727 175.3214 129 R 4.3904 8.7170 123.1704 57.8722 32.0769 177.7572 130 T 4.0997 7.9535 106.0836 63.1624 69.2964 174.2178 131 L 4.8438 7.7680 121.0562 52.7142 44.7024 175.2484 132 K 4.8285 8.9483 119.9107 53.8531 36.1395 177.4819 133 K 3.9546 8.6716 118.2601 60.2629 32.2248 179.0390 134 E 4.0584 8.1675 117.7820 58.9690 29.4853 177.2170 135 D 4.5265 8.1917 116.8538 54.6012 41.2206 176.0714 136 F 4.8204 7.8253 118.2322 55.6575 41.4336 174.8550 137 D 4.6210 8.3748 123.2871 55.5751 41.7531 176.8629 138 E 4.2509 8.0843 117.4106 55.9224 30.0843 176.8004 139 D 4.5116 8.3553 121.0327 53.9867 39.6242 175.4585 140 V 4.4702 7.3377 116.3553 59.7841 36.4007 173.0354 141 Y 4.5021 8.5495 119.7031 56.3863 40.2137 174.9851 142 I 4.8048 8.2380 124.2466 59.4182 39.7842 175.0570 143 I 4.7264 8.6524 119.1985 59.0417 40.9769 175.2970 144 N 5.4132 8.6723 119.9158 51.6521 37.9420 174.4159 145 K 4.5746 7.4298 117.3200 55.2124 36.5238 177.0077 146 V 3.5826 8.5036 122.7394 66.0631 31.7531 177.8994 147 E 3.9697 8.1890 118.9255 59.5996 29.1982 178.9154 148 D 4.3373 8.0865 118.6476 56.6908 40.7034 178.5530 149 L 3.8505 7.8272 121.4241 58.0610 42.2369 178.9473 150 I 3.2847 7.5516 119.2823 64.1494 36.8458 178.3364 151 V 3.5001 7.1012 117.8332 65.8519 31.5780 177.3868 152 L 3.9441 7.7113 119.9193 58.2767 42.0141 178.8556 153 L 3.7824 7.9630 119.2442 57.7559 41.2112 179.8098 154 G 3.8984 7.5328 104.1592 47.0417 0.0000 175.1214 155 K 4.3544 8.0425 119.5997 56.6861 32.8909 177.0915 156 L 4.3997 6.8021 116.9236 53.9061 42.6490 176.0735 157 N 5.0595 8.6533 118.5917 52.0965 39.4270 173.6952 158 Y 4.6096 7.9582 120.3750 56.1286 41.6416 173.5535 159 Y 4.5352 9.1689 121.1127 58.2597 38.3768 175.1915 160 K 4.8602 9.6243 116.3289 54.6293 37.6786 174.2600 161 C 5.2122 8.7370 121.7722 57.8531 34.0614 172.4187 162 F 5.4039 9.3685 125.9489 55.8900 41.3854 174.9222 163 I 4.4544 9.7430 126.7057 60.2084 38.0827 176.1662 164 I 4.7713 8.6468 121.4423 61.1478 38.5971 174.8236 165 G 2.9324 7.8669 108.6497 44.7513 0.0000 173.6774 166 G 4.0867 7.8531 110.2438 44.4792 0.0000 176.4545 167 S 4.3951 8.6582 115.9848 61.6443 63.2671 176.8429 168 V 3.6194 7.7278 121.5344 65.5471 31.3991 178.0000 169 V 4.0138 7.6028 118.8498 65.7123 31.5758 177.3689 170 Y 4.3806 8.1111 116.8352 61.2189 37.8847 178.1177 171 Q 3.9759 8.1954 120.7396 59.5449 28.6654 178.7585 172 E 4.0776 8.2235 117.5878 59.1934 29.7770 178.9426 173 F 4.0298 8.3780 118.4788 60.0177 38.8789 177.7782 174 L 4.1538 8.0842 118.5794 57.9806 41.3249 179.1890 175 E 4.0667 7.8843 116.7163 59.1759 29.4680 178.7226 176 K 4.2542 7.9695 115.3938 55.2056 32.7958 176.7514 177 K 3.9730 8.1265 118.2803 57.7181 30.0027 175.5927 178 L 4.5322 8.5157 116.1973 54.7606 42.5293 177.0236 179 I 4.5808 7.7324 120.5898 59.9830 38.4404 175.2807 180 K 4.4444 8.8975 127.0914 58.2782 33.6235 176.2375 181 K 5.2069 8.1281 116.8188 55.3913 36.9824 174.8514 182 I 4.8907 8.7529 123.6854 60.0078 40.2983 174.6832 183 Y 4.6437 9.5476 127.1939 57.0354 38.6161 174.1848 184 F 4.9333 9.2974 128.0983 56.7264 41.5696 174.3516 185 T 4.6542 8.3579 123.6391 62.4083 70.5507 174.0704 186 R 4.5602 8.5337 126.4271 54.6410 32.0506 175.8897 187 I 3.7601 8.5358 127.5183 59.3356 37.7330 176.4097 188 N 5.3905 8.1164 132.1391 51.7577 36.4171 173.6906 189 S 4.6545 7.7229 114.8846 57.9461 67.0424 175.0148 190 T 5.1755 7.9909 117.0864 62.6587 70.1846 173.6403 191 Y 4.9088 8.4529 120.9384 56.4694 43.3616 173.6699 192 E 4.3166 8.9114 122.5870 56.6199 30.2110 175.8168 193 C 5.0282 8.7681 123.2409 58.2144 32.4513 173.1519 194 D 4.9752 8.6637 119.5333 52.9252 41.7519 175.8172 195 V 4.2644 7.0073 111.5555 59.3418 35.6291 174.4826 196 F 5.4919 8.3874 120.1445 55.6437 43.2011 174.2004 197 F 4.6469 9.0569 122.9405 57.2778 40.0488 173.7827 198 P 4.5306 0.0000 0.0000 61.8237 31.9077 176.0916 199 E 4.1702 8.6894 122.4323 56.4382 29.8804 176.4633 200 I 4.0254 8.3067 127.4610 60.5966 38.1732 174.9426 201 N 4.5684 8.7849 123.9848 52.7570 38.9444 175.2387 202 E 4.3323 8.8001 126.5814 58.0597 29.9156 177.0092 203 N 4.6639 9.4156 115.7631 54.6435 39.3226 175.4891 204 E 4.4173 8.0078 116.7252 56.3910 31.5704 175.6269 205 Y 5.4625 8.5720 116.7373 56.1078 42.5081 174.7419 206 Q 4.8039 9.3555 120.8998 54.1751 32.3351 174.5616 207 I 4.1100 8.4662 123.4798 61.5631 37.2191 175.7210 208 I 4.4639 8.6430 119.7996 60.9756 39.2344 175.7336 209 S 4.7334 7.5250 117.5573 57.6953 67.3573 173.7657 210 V 4.9494 8.1695 115.8831 59.8550 35.1800 175.8162 211 S 4.6659 8.6725 120.3809 57.0816 65.3906 173.0676 212 D 4.4155 8.6388 119.2775 54.3116 41.6564 175.0383 213 V 4.3025 7.5355 121.3062 61.5211 33.4184 173.9886 214 Y 4.9639 8.8120 122.8955 56.7237 43.0131 173.9612 215 T 5.0984 8.3960 116.1167 62.1118 71.6404 174.1830 216 S 4.3944 9.3868 118.9879 58.5507 66.1844 174.0890 217 N 4.0428 9.4870 124.8939 54.9344 35.5908 173.6158 218 N 4.2911 8.3475 107.0636 53.9466 36.7450 174.5243 219 T 4.5603 7.4187 108.7848 61.1381 70.8740 172.5686 220 T 5.0266 8.0407 116.6166 61.0948 71.5196 172.9899 221 L 4.6277 8.3451 120.3799 55.3775 44.1775 172.8651 222 D 4.8433 7.8873 118.6532 52.0582 43.8652 173.6352 223 F 5.2747 8.9340 116.8259 55.5517 42.2652 174.7976 224 I 5.1144 9.1518 116.4488 59.1023 41.5918 174.2103 225 I 4.9695 8.3569 123.0909 59.8754 40.2993 174.1848 226 Y 5.0296 9.0457 125.1891 56.4089 40.1645 174.5811 227 K 4.9654 9.1852 124.6510 54.0018 35.5005 174.9138 228 K 3.9867 8.7596 128.7770 56.7663 32.4722 176.5509 229 T 4.0306 9.0407 119.8420 61.4502 70.3344 173.7293 230 N 4.4094 9.2009 122.4296 54.4154 39.0142 176.2815 231 N 4.0461 8.2121 121.1696 55.2775 38.0665 174.9974 232 K 4.3040 7.2663 118.2047 54.0437 30.9635 176.3988 233 M 4.0865 8.3313 121.6392 55.5856 31.7918 176.7441 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.36 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 M 8.53 3.97 0.00 2.11 2.01 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 2.66 2.64 0.00 3 E 9.28 4.67 0.00 1.85 1.75 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 2.22 2.35 0.00 4 Q 8.07 4.47 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 5 V 8.54 3.47 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 1.34 0.00 0.00 1.03 0.00 0.00 6 C 8.28 3.94 0.00 3.30 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.93 4.12 0.00 2.84 2.55 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 8 V 7.27 3.21 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 0.00 0.00 -0.25 0.00 0.00 0.25 0.00 0.00 9 F 7.57 4.74 0.00 3.09 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 10 D 7.42 4.00 0.00 2.78 2.54 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 11 I 7.69 4.70 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.95 0.00 0.00 12 Y 9.15 5.52 0.00 2.77 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 13 A 9.15 5.36 1.52 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 14 I 8.86 5.46 2.16 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 1.20 0.00 0.00 15 C 9.15 4.96 0.00 2.65 2.52 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 16 A 8.24 4.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 8.89 5.34 0.00 2.87 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 18 C 8.91 5.65 0.00 3.65 3.37 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 19 K 8.68 4.88 0.00 1.90 1.70 0.00 1.54 0.00 0.00 1.39 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.86 1.01 7.81 20 V 8.10 4.39 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 1.08 0.00 0.00 1.09 0.00 0.00 21 E 8.70 4.28 0.00 2.09 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 2.35 2.28 0.00 22 S 7.61 3.96 0.00 3.88 3.76 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 23 K 8.58 4.11 0.00 1.90 1.86 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.42 7.81 24 N 8.50 4.35 0.00 2.87 2.94 0.00 0.00 5.81 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 25 E 8.81 4.47 0.00 1.94 1.95 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 2.27 2.29 0.00 26 G 7.80 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 0.00 0.00 0.00 0.00 27 K 7.97 4.50 0.00 1.71 1.88 0.00 1.61 0.00 0.00 2.29 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.57 7.81 28 K 7.48 3.93 0.00 1.80 1.72 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.41 7.81 29 N 8.59 4.11 0.00 2.88 2.87 0.00 0.00 7.14 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 30 E 7.52 4.28 0.00 1.75 1.75 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 1.97 1.47 0.00 31 V 7.59 4.05 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 0.82 0.00 0.00 0.87 0.00 0.00 32 F 8.16 5.07 0.00 3.05 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.96 4.88 0.00 3.00 2.99 0.00 0.00 7.14 6.79 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 34 N 8.99 4.45 0.00 2.93 3.06 0.00 0.00 6.44 7.48 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 35 Y 7.96 4.54 0.00 2.86 3.29 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 36 T 8.52 3.78 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 0.84 0.00 0.00 37 F 8.33 4.83 0.00 3.28 3.34 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 38 R 8.36 4.93 0.00 1.99 2.04 0.00 2.33 0.00 0.00 2.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.69 0.00 39 G 8.90 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 0.00 0.00 0.00 40 L 8.63 4.41 0.00 1.77 1.78 1.35 1.04 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 41 G 7.31 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 0.00 0.00 0.00 42 N 9.43 5.20 0.00 2.72 2.51 0.00 0.00 7.19 5.97 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 43 K 10.78 3.53 0.00 1.88 1.83 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.33 7.81 44 G 8.64 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 0.00 0.00 0.00 45 V 7.19 4.39 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.88 0.00 0.00 46 L 7.77 3.76 0.00 1.21 0.13 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.01 0.00 1.88 2.26 0.00 2.20 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 48 W 6.12 3.87 0.00 3.02 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 0.00 0.00 0.00 49 K 7.48 3.77 0.00 1.98 1.87 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.31 7.81 50 C 7.64 4.78 0.00 2.89 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 51 N 8.63 4.97 0.00 2.56 2.58 0.00 0.00 6.81 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 52 S 9.06 4.15 0.00 4.10 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 53 L 7.82 3.88 0.00 1.69 1.79 0.75 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.69 4.57 0.00 2.78 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 55 M 8.07 4.09 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 56 K 8.34 3.89 0.00 1.87 2.00 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 57 Y 8.12 3.78 0.00 2.57 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 58 F 8.79 3.91 0.00 3.21 3.27 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 59 C 8.36 3.75 0.00 3.07 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 60 A 7.83 3.78 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.03 3.04 1.22 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 -0.09 0.00 0.00 -0.21 0.00 0.00 62 T 6.92 3.16 3.75 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 0.11 0.00 0.00 63 T 7.01 4.33 4.16 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 1.15 0.00 0.00 64 Y 7.22 4.02 0.00 2.95 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 65 V 6.96 3.23 1.68 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 0.35 0.00 0.00 0.83 0.00 0.00 66 N 5.97 4.38 0.00 2.56 2.55 0.00 0.00 7.12 7.65 0.00 0.00 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 E 8.50 3.96 0.00 1.98 1.98 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 2.24 2.25 0.00 68 S 7.85 4.33 0.00 4.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.17 4.43 0.00 2.32 2.09 0.00 1.97 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.50 1.71 7.81 70 Y 7.93 4.45 0.00 3.13 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 71 E 8.33 3.66 0.00 2.02 1.96 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 2.38 2.42 0.00 72 K 8.08 3.93 0.00 1.82 1.99 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.56 7.81 73 L 7.41 3.96 0.00 1.93 1.57 0.76 0.78 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 74 K 7.99 3.60 0.00 0.85 1.63 0.00 1.42 0.00 0.00 1.42 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.27 7.81 75 Y 8.22 4.01 0.00 2.99 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 76 K 7.97 3.59 0.00 1.96 1.86 0.00 1.53 0.00 0.00 1.44 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.42 7.81 77 R 7.72 3.76 0.00 1.78 2.02 0.00 3.14 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 78 C 8.21 4.23 0.00 3.04 3.05 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 79 K 8.05 3.56 0.00 0.97 1.59 0.00 1.34 0.00 0.00 1.40 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.27 7.81 80 Y 7.78 4.04 0.00 2.82 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.92 4.32 0.00 1.83 1.66 1.18 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 82 N 7.46 4.06 0.00 2.82 2.88 0.00 0.00 6.80 8.10 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 83 K 6.91 4.49 0.00 1.85 1.75 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.52 7.81 84 E 7.87 4.74 0.00 2.05 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 2.06 2.14 0.00 85 T 8.22 4.40 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 *96 K 8.04 4.23 0.00 1.76 1.74 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.50 7.81 97 K 8.45 4.15 0.00 1.69 1.66 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.36 7.81 98 L 8.22 3.93 0.00 1.55 1.36 0.23 0.40 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 99 Q 8.17 4.67 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.63 0.00 100 N 8.71 5.13 0.00 2.93 3.17 0.00 0.00 6.25 7.68 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 0.00 101 V 8.98 4.81 1.83 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 0.83 0.00 0.00 0.55 0.00 0.00 102 V 8.82 5.05 2.22 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 0.69 0.00 0.00 1.10 0.00 0.00 103 V 9.01 4.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.85 0.00 0.00 104 M 9.03 5.30 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.76 0.00 105 G 8.64 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 0.00 0.00 0.00 0.00 106 R 8.57 4.17 0.00 2.17 2.04 0.00 3.18 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 107 T 7.92 3.94 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 1.21 0.00 0.00 108 S 8.02 4.36 0.00 4.07 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 0.00 109 W 8.52 4.22 0.00 3.51 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 0.00 110 E 8.29 4.06 0.00 2.17 2.03 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 2.62 2.83 0.00 111 S 7.88 4.31 0.00 4.01 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 0.00 112 I 6.65 4.07 1.64 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 1.20 0.66 0.89 0.00 0.00 113 P 0.00 4.26 0.00 2.17 1.92 0.00 3.89 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 114 K 8.73 3.83 0.00 1.69 1.71 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 115 K 7.69 3.95 0.00 1.51 1.64 0.00 1.12 0.00 0.00 1.40 0.00 0.00 2.77 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.84 0.21 7.81 116 F 8.29 4.90 0.00 3.10 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 0.00 117 K 7.62 4.65 0.00 1.48 1.32 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.79 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.64 0.92 7.81 118 P 0.00 4.81 0.00 2.37 2.38 0.00 3.89 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 119 L 9.34 4.44 0.00 1.83 1.75 1.15 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 0.00 120 S 8.71 4.28 0.00 4.00 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 0.00 121 N 8.86 4.54 0.00 2.84 2.91 0.00 0.00 7.04 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 0.00 122 R 7.43 4.88 0.00 1.94 1.81 0.00 3.08 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 123 I 8.75 4.17 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.73 0.97 0.00 0.00 124 N 8.84 5.13 0.00 2.75 2.85 0.00 0.00 6.46 7.68 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 0.00 125 V 8.83 4.90 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 0.91 0.00 0.00 0.81 0.00 0.00 126 I 8.54 4.99 1.33 0.00 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.10 0.78 0.00 0.00 127 L 8.69 4.96 0.00 1.63 1.62 1.11 0.79 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 0.00 128 S 8.80 4.73 0.00 3.93 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 0.00 129 R 8.72 4.39 0.00 1.82 1.93 0.00 3.27 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 130 T 7.95 4.10 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 1.23 0.00 0.00 131 L 7.77 4.84 0.00 1.82 1.62 0.78 0.75 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 0.00 132 K 8.95 4.83 0.00 1.79 1.79 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.36 7.81 133 K 8.67 3.95 0.00 1.90 2.06 0.00 1.47 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 134 E 8.17 4.06 0.00 1.97 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 2.32 2.40 0.00 135 D 8.19 4.53 0.00 2.52 2.38 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 0.00 136 F 7.83 4.82 0.00 2.88 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 0.00 137 D 8.37 4.62 0.00 2.65 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 0.00 138 E 8.08 4.25 0.00 2.15 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 2.69 2.55 0.00 139 D 8.36 4.51 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.34 4.47 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.30 0.00 0.00 141 Y 8.55 4.50 0.00 2.84 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 0.00 142 I 8.24 4.80 1.76 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.58 0.89 0.00 0.00 143 I 8.65 4.73 1.84 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 1.37 0.90 0.87 0.00 0.00 144 N 8.67 5.41 0.00 2.84 2.97 0.00 0.00 6.20 7.13 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 0.00 145 K 7.43 4.57 0.00 2.03 1.64 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.41 7.81 146 V 8.50 3.58 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 0.53 0.00 0.00 0.58 0.00 0.00 147 E 8.19 3.97 0.00 2.06 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 0.00 2.38 2.43 0.00 148 D 8.09 4.34 0.00 2.85 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 0.00 149 L 7.83 3.85 0.00 1.78 1.90 0.78 0.90 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 0.00 150 I 7.55 3.28 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 1.46 1.20 0.76 0.00 0.00 151 V 7.10 3.50 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 0.77 0.00 0.00 0.90 0.00 0.00 152 L 7.71 3.94 0.00 1.72 1.61 0.49 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.96 3.78 0.00 1.13 1.48 0.70 0.15 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 0.00 154 G 7.53 3.90 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 0.00 0.00 0.00 155 K 8.04 4.35 0.00 1.81 1.89 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.60 7.81 156 L 6.80 4.40 0.00 1.72 1.65 0.46 0.83 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 0.00 157 N 8.65 5.06 0.00 2.75 2.80 0.00 0.00 6.72 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 0.00 158 Y 7.96 4.61 0.00 3.16 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 0.00 159 Y 9.17 4.54 0.00 2.86 3.25 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 0.00 160 K 9.62 4.86 0.00 1.90 1.52 0.00 1.87 0.00 0.00 1.61 0.00 0.00 2.68 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.17 0.69 7.81 161 C 8.74 5.21 0.00 2.82 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 0.00 162 F 9.37 5.40 0.00 3.01 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 0.00 163 I 9.74 4.45 1.92 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.47 0.00 0.00 164 I 8.65 4.77 2.18 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 1.28 0.00 0.00 165 G 7.87 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 0.00 0.00 0.00 166 G 7.85 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 0.00 0.00 0.00 167 S 8.66 4.40 0.00 4.32 4.21 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 0.00 168 V 7.73 3.62 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 1.05 0.00 0.00 0.96 0.00 0.00 169 V 7.60 4.01 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 1.21 0.00 0.00 1.03 0.00 0.00 170 Y 8.11 4.38 0.00 2.97 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 0.00 171 Q 8.20 3.98 0.00 2.36 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 172 E 8.22 4.08 0.00 2.17 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 0.00 2.69 2.09 0.00 173 F 8.38 4.03 0.00 3.29 3.29 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 0.00 174 L 8.08 4.15 0.00 1.77 1.79 0.63 0.71 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 0.00 175 E 7.88 4.07 0.00 2.11 2.03 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 2.37 2.67 0.00 176 K 7.97 4.25 0.00 1.67 1.77 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.60 7.81 177 K 8.13 3.97 0.00 1.87 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.41 7.81 178 L 8.52 4.53 0.00 1.96 1.91 0.78 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 179 I 7.73 4.58 2.14 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 1.70 1.01 1.14 0.00 0.00 180 K 8.90 4.44 0.00 1.74 1.70 0.00 1.56 0.00 0.00 1.30 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.46 7.81 181 K 8.13 5.21 0.00 2.21 1.49 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.75 7.81 182 I 8.75 4.89 1.93 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.99 0.00 0.00 183 Y 9.55 4.64 0.00 3.12 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 0.00 184 F 9.30 4.93 0.00 3.21 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 0.00 185 T 8.36 4.65 4.10 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 0.87 0.00 0.00 186 R 8.53 4.56 0.00 1.33 0.66 0.00 2.22 0.00 0.00 2.87 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 187 I 8.54 3.76 1.65 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.24 0.56 0.00 0.00 188 N 8.12 5.39 0.00 2.75 2.87 0.00 0.00 7.03 7.71 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 0.00 189 S 7.72 4.65 0.00 3.66 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 0.00 190 T 7.99 5.18 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 1.30 0.00 0.00 191 Y 8.45 4.91 0.00 3.00 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 0.00 192 E 8.91 4.32 0.00 2.05 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 2.39 0.00 193 C 8.77 5.03 0.00 3.09 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.66 4.98 0.00 2.72 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 0.00 195 V 7.01 4.26 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 0.83 0.00 0.00 0.80 0.00 0.00 196 F 8.39 5.49 0.00 3.03 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 0.00 197 F 9.06 4.65 0.00 3.13 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 0.00 198 P 0.00 4.53 0.00 1.90 1.91 0.00 2.20 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 199 E 8.69 4.17 0.00 1.16 1.64 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 2.07 2.02 0.00 200 I 8.31 4.03 1.76 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.91 0.82 0.00 0.00 201 N 8.78 4.57 0.00 2.77 2.79 0.00 0.00 6.85 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 E 8.80 4.33 0.00 2.01 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 2.34 2.42 0.00 203 N 9.42 4.66 0.00 2.89 2.85 0.00 0.00 6.90 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 0.00 204 E 8.01 4.42 0.00 2.09 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 2.25 2.15 0.00 205 Y 8.57 5.46 0.00 2.92 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 0.00 206 Q 9.36 4.80 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 207 I 8.47 4.11 1.67 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 0.13 -0.06 0.71 0.00 0.00 208 I 8.64 4.46 1.88 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 1.33 0.64 0.98 0.00 0.00 209 S 7.52 4.73 0.00 3.78 3.76 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 0.00 210 V 8.17 4.95 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 0.64 0.00 0.00 0.89 0.00 0.00 211 S 8.67 4.67 0.00 4.11 4.16 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 0.00 212 D 8.64 4.42 0.00 2.51 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 0.00 0.00 0.00 0.00 213 V 7.54 4.30 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 0.76 0.00 0.00 0.81 0.00 0.00 214 Y 8.81 4.96 0.00 2.88 2.78 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 0.00 0.00 0.00 215 T 8.40 5.10 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 216 S 9.39 4.39 0.00 3.80 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 N 9.49 4.04 0.00 2.90 2.91 0.00 0.00 7.09 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 N 8.35 4.29 0.00 2.92 2.93 0.00 0.00 6.92 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 0.00 219 T 7.42 4.56 4.31 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 1.27 0.00 0.00 220 T 8.04 5.03 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 1.18 0.00 0.00 221 L 8.35 4.63 0.00 1.40 1.47 0.65 0.81 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 0.00 222 D 7.89 4.84 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 F 8.93 5.27 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 I 9.15 5.11 1.72 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.88 0.77 0.00 0.00 225 I 8.36 4.97 1.83 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 1.30 0.85 0.57 0.00 0.00 226 Y 9.05 5.03 0.00 2.87 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 0.00 227 K 9.19 4.97 0.00 1.82 1.70 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.45 7.81 228 K 8.76 3.99 0.00 2.03 1.74 0.00 0.92 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.38 1.25 7.81 229 T 9.04 4.03 4.21 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 1.31 0.00 0.00 230 N 9.20 4.41 0.00 2.76 2.81 0.00 0.00 6.88 6.92 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 0.00 231 N 8.21 4.05 0.00 2.79 2.90 0.00 0.00 6.22 7.13 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 0.00 232 K 7.27 4.30 0.00 1.83 1.81 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.38 7.81 233 M 8.33 4.09 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.64 0.00 * Residues marked with a * may have inaccurate shift predictions.