NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.3689 8.0632 120.4238 55.5985 34.2382 173.7600 2 K 4.9342 8.9793 125.9584 54.6763 34.3941 173.7321 3 I 4.8497 9.9653 130.0592 59.5878 39.8321 174.4042 4 A 4.8744 8.9954 130.1703 50.5600 20.9006 175.5762 5 I 4.8502 8.8822 124.0589 59.5790 39.6032 174.5595 6 F 5.4539 10.5222 130.0831 55.2269 42.2227 174.3702 7 G 4.2652 7.9737 115.9296 46.0537 0.0000 171.7835 8 T 3.3719 6.7557 115.3479 60.4673 68.2160 173.4779 9 V 3.7413 8.0895 123.6155 64.4892 31.5008 175.8749 10 G 3.7600 8.8522 115.0633 45.2124 0.0000 173.8305 11 A 3.8886 7.4459 122.9951 53.5269 18.5879 179.0247 12 G 3.9871 8.2241 103.9150 45.8381 0.0000 175.7050 13 K 3.9343 8.3609 121.4094 59.3373 32.0553 179.0139 14 S 4.4286 7.8985 115.1984 60.8293 63.1809 176.4666 15 T 3.8311 7.8126 118.8431 66.5455 68.2384 176.2981 16 I 3.7029 7.9036 121.6848 64.5344 37.1094 178.3484 17 S 4.1411 8.4240 116.0548 61.8054 62.6741 176.7230 18 A 3.9919 8.0269 122.9089 55.4103 17.6092 179.5101 19 E 3.8980 8.2911 116.9488 59.6771 29.5117 179.7768 20 I 3.7447 8.1144 120.1598 64.1193 37.0869 178.3268 21 S 4.0545 8.4459 114.5126 61.4215 62.0130 176.2123 22 K 3.8267 7.9476 119.8894 59.6400 31.8743 178.9657 23 K 4.1318 7.5635 116.3579 58.1820 32.2492 178.3886 24 L 4.3275 7.8066 117.1003 53.4957 42.7119 177.6333 25 G 3.9109 8.3261 106.4717 45.9969 0.0000 173.2238 26 Y 4.6155 7.5447 116.1014 56.8962 39.0423 175.0224 27 E 4.0621 8.5923 123.6912 56.5472 31.1311 175.2718 28 I 4.7778 8.0390 126.6664 59.7288 39.1409 175.4532 29 F 4.3981 9.6823 127.8775 56.9731 39.1364 174.7968 30 K 4.8858 8.6606 122.7605 54.4317 35.1368 176.3373 31 E 4.4845 8.6165 123.5137 53.4008 29.9829 173.3006 32 P 4.3616 0.0000 0.0000 62.0322 32.0345 178.4988 33 V 3.4041 8.2810 122.8237 64.3485 31.5478 178.0788 34 E 4.0677 8.0044 118.8396 58.4531 29.5016 177.1083 35 E 4.2552 7.6919 116.4377 56.2320 30.2631 175.6548 36 N 4.5178 7.9873 119.2133 51.1022 38.4144 173.7278 37 P 4.2539 0.0000 0.0000 64.6837 31.9074 176.6834 38 Y 4.4687 7.7395 116.5035 59.0410 37.9811 177.5350 39 F 4.2139 8.1882 121.9039 61.3654 39.1773 176.3760 40 E 4.2034 8.4032 117.1903 58.9202 29.4238 177.7490 41 Q 4.4964 7.5825 115.9330 55.8234 29.4890 176.7287 42 Y 4.2584 7.6453 121.4524 61.2607 38.5411 177.8990 43 Y 3.4485 7.5248 114.8464 59.9263 38.5690 177.2913 44 K 3.9681 7.4905 117.9818 58.9898 32.3984 177.2423 45 D 4.3947 7.5624 119.1501 51.5927 42.8248 175.4568 46 L 3.6448 8.1428 127.2049 57.5174 41.6305 178.9598 47 K 4.1683 8.0219 117.8814 58.9510 32.0353 178.5624 48 K 4.1106 8.0964 117.6810 59.0712 32.5363 177.9939 49 T 4.3441 7.7235 114.9840 64.7486 69.2297 176.7679 50 V 3.8338 8.0400 120.9192 66.3306 31.4384 177.4104 51 F 3.9007 8.3299 119.2580 61.5089 39.1699 176.9921 52 K 3.7893 8.2211 117.1609 59.7311 31.7614 178.7381 53 M 3.6277 7.8116 118.1612 58.7800 32.2566 178.3592 54 Q 3.9807 8.4243 118.3063 58.5784 28.7784 178.7596 55 I 3.7919 7.6085 121.3328 64.3517 37.1216 177.4556 56 Y 4.1286 7.9811 120.4369 61.1001 38.5944 178.2384 57 M 4.0705 8.4059 119.5049 58.3876 32.1129 178.5944 58 L 4.0180 7.8276 118.6274 58.2133 41.8398 179.5678 59 T 3.7627 7.9990 115.1646 66.6653 68.3515 176.2372 60 A 3.7875 7.6742 122.3519 55.3740 18.1679 179.7250 61 R 3.8525 7.7139 115.5468 59.5614 30.3698 178.6302 62 S 4.2166 7.9188 115.1848 61.4250 62.3769 176.7379 63 K 4.0290 8.0353 121.2467 59.5011 31.5451 179.4067 64 Q 3.9943 7.7766 117.0634 58.4482 28.6152 178.2870 65 L 4.1117 7.5117 120.1169 56.8309 41.8369 178.0854 66 K 3.6530 7.1928 118.4873 57.5023 32.7558 176.8253 *73 N 4.2293 7.9988 116.9155 54.1530 38.8376 173.3978 74 I 4.6687 8.4407 122.6174 59.4635 42.5761 173.7105 75 I 4.8207 8.4960 126.5507 59.7898 39.4662 174.7008 76 F 4.8414 9.7621 127.9974 56.4160 39.8627 174.9858 77 D 4.7177 9.3318 126.2091 53.5022 40.5732 172.8854 78 R 4.3662 8.8978 128.4849 55.5779 31.9317 175.2798 79 T 4.6574 8.3143 112.4964 59.1229 71.7358 174.7606 80 L 4.3662 8.1602 123.1199 57.2362 41.7490 178.4744 81 L 4.1232 7.4139 117.4214 57.5315 41.7383 178.5065 82 E 3.7740 7.9185 117.7850 58.1360 29.4494 178.3030 83 D 4.4171 7.5527 118.7893 57.1814 40.9456 177.1946 84 P 4.5513 0.0000 0.0000 64.6006 31.1935 178.6259 85 I 3.6068 7.4860 119.2225 64.4164 36.7930 178.3523 86 F 4.0914 8.3728 118.2297 60.5190 38.6856 177.5237 87 M 4.0096 8.0093 117.6580 58.3233 31.9935 177.9111 88 K 3.9571 8.3703 120.0040 59.6164 32.5035 178.9002 89 V 3.4868 7.8137 118.4265 66.1415 31.3618 177.8140 90 N 4.4974 8.1234 116.0049 56.1834 38.4702 176.9007 91 Y 4.3154 8.1179 122.6760 60.2270 38.5972 177.5736 92 D 4.1333 8.2108 119.2296 56.3608 40.8667 177.6843 93 L 4.4521 7.3460 116.5880 53.5038 41.9281 176.0374 94 N 4.1858 7.4408 114.0155 54.4848 36.5869 175.1260 95 N 4.6134 8.7683 116.8480 54.3533 38.9049 175.3574 96 V 4.5042 7.4126 117.9100 60.1397 34.8424 174.5285 97 D 4.7437 8.5362 126.6078 52.2668 42.1176 177.1017 98 Q 4.1298 8.7970 119.5791 59.9028 28.7578 178.5327 99 T 3.8828 7.9392 115.7973 66.9689 68.6685 176.2431 100 D 4.4536 8.8275 121.0782 57.4663 40.7354 178.4449 101 Y 4.1024 8.1998 120.0600 60.7519 38.7891 177.3683 102 N 4.2180 8.6242 117.8611 56.8665 38.6723 177.0567 103 T 3.9403 8.2596 117.0216 67.0707 68.4825 175.7031 104 Y 4.1231 8.2917 120.8230 60.9021 38.8371 178.3526 105 I 3.7471 8.0946 120.9301 64.4289 37.1457 177.9375 106 D 4.2888 8.4617 119.1691 57.4072 41.2306 177.9307 107 F 4.1044 8.6861 121.5856 61.4899 39.3201 176.4478 108 Y 3.5726 8.5411 120.1771 60.4153 38.2973 177.5216 109 N 4.2688 7.7274 115.7542 54.8244 39.0334 176.2195 110 N 4.7117 8.0902 115.3361 52.9026 39.3877 174.8144 111 V 4.0073 6.9301 117.2557 64.4370 33.2860 176.6787 112 V 3.3460 6.6089 117.6614 65.2369 31.6203 175.8908 113 L 3.6072 7.5379 121.7058 55.1710 43.3245 175.5610 *122 K 4.3563 8.0530 125.7891 56.0548 32.8532 176.8568 123 L 4.0318 8.2087 111.7748 54.9513 43.3304 174.2885 124 S 4.2038 7.6013 113.8480 57.4390 63.0869 173.2935 125 F 5.1695 8.2049 125.0739 55.7449 42.0863 175.0883 126 D 4.6864 9.1942 124.0662 57.0929 41.9664 176.1327 127 I 4.7714 7.6833 116.6237 59.9130 41.8236 173.3263 128 V 4.4407 8.7950 129.6083 61.1981 33.5513 174.7130 129 I 4.7654 9.3019 131.9331 60.7608 38.1429 175.1890 130 Y 5.4254 8.8702 130.9513 56.7627 39.2695 174.4069 131 L 4.4078 9.0191 129.2283 53.7957 40.5154 175.4717 132 R 3.6658 7.8938 123.3648 55.5585 31.2203 175.2285 133 V 4.8016 7.9045 124.8423 59.8604 34.7308 175.1140 134 S 4.3698 9.1880 117.8357 58.2583 64.0565 175.5280 135 T 3.8688 8.4821 118.7217 66.5769 68.1673 176.8489 136 K 3.8348 8.0937 120.0086 60.0592 32.0903 179.1457 137 T 3.7896 7.6183 115.4056 66.4925 68.3921 176.4455 138 A 4.0062 7.9445 122.5749 55.3163 18.3619 179.7276 139 I 3.3550 8.1322 118.6736 64.5117 37.1326 178.9410 140 S 4.2600 8.0474 114.9679 61.3392 62.8267 176.7512 141 R 3.8527 8.1122 121.9711 58.9218 29.7457 179.0058 142 I 3.5825 7.5346 119.6545 64.2131 36.8552 178.5873 143 K 3.9342 8.0945 118.3147 59.2496 31.9758 178.8707 144 K 3.9999 7.9021 118.6462 59.6789 32.1892 178.2594 145 R 4.0577 7.7390 117.4775 57.9110 29.9563 177.3587 146 G 3.7857 8.0009 104.4254 46.4703 0.0000 173.7234 147 R 4.0019 8.0493 119.2464 56.1137 30.4743 176.7915 148 S 4.1496 8.8599 120.3638 61.9391 62.5381 176.1402 149 E 4.0541 8.1624 121.3185 59.2207 29.0616 179.0781 150 E 3.5686 8.0833 116.5395 58.7866 29.7292 178.8274 151 L 4.1892 7.5903 117.7862 57.0444 41.6074 179.2536 152 L 4.0975 7.2151 118.5941 56.7631 41.9803 177.8117 153 I 3.7292 6.6997 110.1297 60.3617 38.2390 175.6213 154 G 3.9764 7.9597 110.6921 44.3552 0.0000 174.4330 155 E 4.2870 8.6879 117.8268 59.1900 29.2499 179.1658 156 E 3.9577 8.2358 117.4743 59.6358 29.3915 178.4211 157 Y 3.8296 7.5063 118.8529 60.2716 38.7821 178.1839 158 W 4.6755 7.8579 119.1780 60.0349 29.3049 178.0383 159 E 4.0052 8.7622 119.5898 59.4432 29.0517 179.0721 160 T 3.8114 8.0144 115.9569 66.3704 68.4524 176.4312 161 L 3.7472 7.7507 122.2379 58.0564 42.0953 178.4593 162 N 4.3594 8.3698 117.0082 56.8158 38.9347 176.8606 163 K 4.0250 8.0181 119.6347 59.7295 32.1350 179.1068 164 N 4.4516 8.2940 116.6846 56.3105 38.4208 177.1729 165 Y 3.7855 8.4970 118.8121 60.9302 37.9510 178.1614 166 E 4.2250 8.6326 120.3852 59.3429 29.8141 178.5056 167 E 3.9824 8.4435 119.5248 59.0185 29.7625 178.4224 168 F 4.0123 8.4174 120.8422 61.4276 39.3283 176.3168 169 Y 3.6162 8.1111 118.9918 60.7498 38.3043 178.4716 170 K 3.4456 7.8055 117.7655 59.2695 32.1594 179.1061 171 Q 4.0892 7.8438 117.4295 57.5674 28.9331 176.5869 172 N 5.0579 7.3906 115.3389 52.5304 39.5045 176.5098 173 V 3.2019 6.9347 119.8623 64.7395 31.0362 176.9990 174 Y 4.5134 7.4763 115.0923 58.8532 38.1767 175.4294 175 D 4.7096 8.0530 118.2999 53.9979 41.8389 176.1595 176 F 4.9044 7.7234 116.8323 55.1783 43.4487 173.2400 177 P 4.8237 0.0000 0.0000 62.0871 29.2651 175.2701 178 F 4.8791 8.2458 122.0284 58.4710 40.6105 175.6498 179 F 5.0206 9.4124 124.4302 56.5390 42.2722 173.6274 180 V 4.1439 8.2857 126.9374 62.2657 32.5877 175.0884 181 V 4.0063 8.2410 128.0208 60.6047 34.2365 173.8017 182 D 4.3097 8.5565 127.1904 54.4016 41.4749 175.5869 183 A 4.4974 8.6820 127.7501 52.5137 18.3869 178.0269 184 E 4.0079 8.4676 117.1359 58.9917 29.8752 177.9554 185 L 4.1029 7.2281 117.9019 54.6617 42.4636 177.2755 186 D 4.5962 8.3041 120.6538 52.8992 41.6180 177.4671 187 V 3.5673 8.3014 119.9491 66.4087 31.4451 178.2945 188 K 3.9244 8.0875 117.4595 59.8158 31.7790 179.3256 189 T 3.8470 7.6923 114.9499 66.6909 68.4023 176.5260 190 Q 4.0126 8.0337 119.9715 59.4465 28.8078 179.6689 191 I 3.7194 8.1109 120.7019 64.2605 37.1259 178.1305 192 E 3.9341 8.2288 120.1529 59.4138 29.5530 178.9339 193 L 4.1245 8.3440 119.3404 57.7648 41.5800 179.7138 194 I 3.9441 8.1664 119.9787 64.7447 37.0462 178.3914 195 M 4.0509 8.4894 119.9500 58.3666 31.6923 178.3914 196 N 4.2647 8.2393 116.6456 56.3008 38.5324 177.3289 197 K 3.6814 7.5886 119.2926 59.3317 32.6123 178.4825 198 L 4.0909 8.1111 119.6099 58.0468 41.3614 179.3783 199 N 4.4054 8.2345 115.5779 56.0951 38.5323 177.1655 200 S 4.3282 7.8098 114.0737 59.7094 63.3081 174.2508 201 I 4.0760 7.3221 120.7184 60.9688 37.3987 175.1445 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 8.06 5.37 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.64 0.00 2 K 8.98 4.93 0.00 2.05 2.24 0.00 1.96 0.00 0.00 1.93 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.59 7.81 3 I 9.97 4.85 2.05 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 1.32 1.24 1.04 0.00 0.00 4 A 9.00 4.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.88 4.85 1.96 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 1.35 1.00 0.99 0.00 0.00 6 F 10.52 5.45 0.00 3.06 3.09 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 7 G 7.97 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 0.00 0.00 0.00 8 T 6.76 3.37 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 1.09 0.00 0.00 9 V 8.09 3.74 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 0.64 0.00 0.00 1.48 0.00 0.00 10 G 8.85 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 0.00 0.00 0.00 11 A 7.45 3.89 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 12 G 8.22 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.36 3.93 0.00 1.82 2.04 0.00 1.88 0.00 0.00 2.07 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.49 7.81 14 S 7.90 4.43 0.00 4.08 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 15 T 7.81 3.83 4.37 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 1.20 0.00 0.00 16 I 7.90 3.70 1.95 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 1.74 0.96 0.96 0.00 0.00 17 S 8.42 4.14 0.00 4.02 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 18 A 8.03 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.29 3.90 0.00 2.15 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 2.54 2.50 0.00 20 I 8.11 3.74 1.99 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 1.42 1.05 0.87 0.00 0.00 21 S 8.45 4.05 0.00 3.92 4.04 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 22 K 7.95 3.83 0.00 1.94 1.85 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.64 7.81 23 K 7.56 4.13 0.00 1.69 1.78 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 24 L 7.81 4.33 0.00 0.89 0.33 0.53 0.57 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 25 G 8.33 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 26 Y 7.54 4.62 0.00 2.91 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 27 E 8.59 4.06 0.00 1.91 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 0.00 2.01 2.00 0.00 28 I 8.04 4.78 1.84 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 1.36 0.73 0.94 0.00 0.00 29 F 9.68 4.40 0.00 2.97 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.66 4.89 0.00 1.63 1.72 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.42 7.81 31 E 8.62 4.48 0.00 1.90 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 2.17 2.37 0.00 32 P 0.00 4.36 0.00 2.22 1.96 0.00 3.74 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.08 0.00 33 V 8.28 3.40 1.77 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 0.31 0.00 0.00 -0.05 0.00 0.00 34 E 8.00 4.07 0.00 1.95 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 35 E 7.69 4.26 0.00 2.08 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 2.31 2.24 0.00 36 N 7.99 4.52 0.00 2.69 2.83 0.00 0.00 7.16 8.88 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 37 P 0.00 4.25 0.00 1.63 1.88 0.00 2.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.56 0.00 38 Y 7.74 4.47 0.00 3.09 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 39 F 8.19 4.21 0.00 3.10 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 40 E 8.40 4.20 0.00 2.06 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 2.31 2.45 0.00 41 Q 7.58 4.50 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.50 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 42 Y 7.65 4.26 0.00 3.08 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 43 Y 7.52 3.45 0.00 2.88 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 44 K 7.49 3.97 0.00 1.88 1.84 0.00 1.89 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.36 7.81 45 D 7.56 4.39 0.00 2.52 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.14 3.64 0.00 1.58 1.54 0.57 0.01 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 47 K 8.02 4.17 0.00 1.86 1.89 0.00 1.76 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.36 7.81 48 K 8.10 4.11 0.00 1.93 1.82 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.52 7.81 49 T 7.72 4.34 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 50 V 8.04 3.83 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 1.06 0.00 0.00 1.00 0.00 0.00 51 F 8.33 3.90 0.00 3.20 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 52 K 8.22 3.79 0.00 1.69 1.11 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.58 7.81 53 M 7.81 3.63 0.00 2.06 1.71 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.25 0.00 54 Q 8.42 3.98 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 55 I 7.61 3.79 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 0.86 -0.04 0.89 0.00 0.00 56 Y 7.98 4.13 0.00 3.38 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 57 M 8.41 4.07 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.94 0.00 58 L 7.83 4.02 0.00 2.03 1.78 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.00 3.76 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 1.18 0.00 0.00 60 A 7.67 3.79 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.71 3.85 0.00 1.93 1.94 0.00 3.33 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 62 S 7.92 4.22 0.00 4.03 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.04 4.03 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.66 7.81 64 Q 7.78 3.99 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.58 2.79 0.00 65 L 7.51 4.11 0.00 1.78 1.64 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.19 3.65 0.00 1.68 1.94 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.75 1.48 7.81 *73 N 8.00 4.23 0.00 2.29 1.83 0.00 0.00 6.91 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.44 4.67 1.53 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.88 0.67 0.00 0.00 75 I 8.50 4.82 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.26 1.00 0.00 0.00 76 F 9.76 4.84 0.00 2.99 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 77 D 9.33 4.72 0.00 2.79 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 78 R 8.90 4.37 0.00 2.05 1.98 0.00 3.36 0.00 0.00 3.58 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 79 T 8.31 4.66 4.19 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 0.70 0.00 0.00 80 L 8.16 4.37 0.00 1.78 1.75 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.41 4.12 0.00 1.71 1.73 0.52 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.92 3.77 0.00 2.12 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 1.53 2.12 0.00 83 D 7.55 4.42 0.00 2.84 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 84 P 0.00 4.55 0.00 2.02 1.94 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.00 85 I 7.49 3.61 1.60 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.26 0.37 0.00 0.00 86 F 8.37 4.09 0.00 3.34 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 87 M 8.01 4.01 0.00 1.93 1.27 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 1.72 0.00 88 K 8.37 3.96 0.00 2.12 2.12 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.64 7.81 89 V 7.81 3.49 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 0.58 0.00 0.00 0.74 0.00 0.00 90 N 8.12 4.50 0.00 2.84 2.93 0.00 0.00 6.68 8.74 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 91 Y 8.12 4.32 0.00 2.76 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 92 D 8.21 4.13 0.00 2.77 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 93 L 7.35 4.45 0.00 1.64 1.66 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.44 4.19 0.00 2.84 2.84 0.00 0.00 6.90 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 95 N 8.77 4.61 0.00 2.95 2.85 0.00 0.00 6.42 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 96 V 7.41 4.50 2.28 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 1.28 0.00 0.00 1.05 0.00 0.00 97 D 8.54 4.74 0.00 3.06 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 98 Q 8.80 4.13 0.00 2.38 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.77 0.00 99 T 7.94 3.88 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 0.00 100 D 8.83 4.45 0.00 2.87 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 0.00 101 Y 8.20 4.10 0.00 2.97 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.62 4.22 0.00 2.99 2.90 0.00 0.00 7.08 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.26 3.94 4.71 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 1.40 0.00 0.00 104 Y 8.29 4.12 0.00 2.99 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 0.00 105 I 8.09 3.75 1.70 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 0.66 0.29 0.86 0.00 0.00 106 D 8.46 4.29 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.69 4.10 0.00 3.13 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 0.00 108 Y 8.54 3.57 0.00 2.40 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.73 4.27 0.00 2.65 2.74 0.00 0.00 6.98 9.02 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 0.00 110 N 8.09 4.71 0.00 2.72 2.78 0.00 0.00 6.71 7.25 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 0.00 111 V 6.93 4.01 1.56 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 0.74 0.00 0.00 0.94 0.00 0.00 112 V 6.61 3.35 1.79 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 0.64 0.00 0.00 0.30 0.00 0.00 113 L 7.54 3.61 0.00 1.21 1.39 0.77 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 *122 K 8.05 4.36 0.00 1.70 0.74 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.39 7.81 123 L 8.21 4.03 0.00 1.47 1.39 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.60 4.20 0.00 3.70 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.20 5.17 0.00 3.07 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 0.00 126 D 9.19 4.69 0.00 2.85 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 0.00 127 I 7.68 4.77 1.95 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 1.39 1.64 1.03 0.00 0.00 128 V 8.79 4.44 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 0.41 0.00 0.00 0.57 0.00 0.00 129 I 9.30 4.77 2.10 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 1.04 0.00 0.00 130 Y 8.87 5.43 0.00 3.13 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 0.00 131 L 9.02 4.41 0.00 1.57 1.56 0.98 1.11 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 0.00 132 R 7.89 3.67 0.00 0.67 1.22 0.00 2.80 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.37 0.00 133 V 7.90 4.80 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 0.68 0.00 0.00 0.89 0.00 0.00 134 S 9.19 4.37 0.00 3.99 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 0.00 135 T 8.48 3.87 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 1.34 0.00 0.00 136 K 8.09 3.83 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.55 7.81 137 T 7.62 3.79 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 138 A 7.94 4.01 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 0.00 139 I 8.13 3.36 1.97 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 1.57 0.55 0.92 0.00 0.00 140 S 8.05 4.26 0.00 4.03 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 0.00 141 R 8.11 3.85 0.00 1.92 1.93 0.00 3.33 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 142 I 7.53 3.58 1.72 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.54 0.80 0.00 0.00 143 K 8.09 3.93 0.00 1.79 1.86 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.54 7.81 144 K 7.90 4.00 0.00 1.74 2.02 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 145 R 7.74 4.06 0.00 1.91 2.09 0.00 3.39 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 146 G 8.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 8.05 4.00 0.00 2.04 2.11 0.00 3.30 0.00 0.00 3.47 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.93 0.00 148 S 8.86 4.15 0.00 4.03 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 0.00 149 E 8.16 4.05 0.00 1.84 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 0.00 2.29 2.39 0.00 150 E 8.08 3.57 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 151 L 7.59 4.19 0.00 1.85 1.74 0.97 1.00 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 0.00 152 L 7.22 4.10 0.00 1.61 1.65 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 153 I 6.70 3.73 1.38 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 0.44 -0.30 0.61 0.00 0.00 154 G 7.96 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 0.00 0.00 0.00 155 E 8.69 4.29 0.00 2.05 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 2.45 2.36 0.00 156 E 8.24 3.96 0.00 2.18 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 0.00 2.35 2.38 0.00 157 Y 7.51 3.83 0.00 2.87 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 0.00 158 W 7.86 4.68 0.00 3.54 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.76 4.01 0.00 2.12 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 2.33 2.41 0.00 160 T 8.01 3.81 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 1.10 0.00 0.00 161 L 7.75 3.75 0.00 1.46 1.82 0.04 0.67 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 0.00 162 N 8.37 4.36 0.00 3.07 2.85 0.00 0.00 7.27 6.26 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 0.00 163 K 8.02 4.03 0.00 2.14 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.61 7.81 164 N 8.29 4.45 0.00 2.91 2.76 0.00 0.00 7.02 6.85 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 0.00 165 Y 8.50 3.79 0.00 3.28 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 0.00 166 E 8.63 4.23 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 167 E 8.44 3.98 0.00 2.31 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 168 F 8.42 4.01 0.00 3.27 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 0.00 169 Y 8.11 3.62 0.00 2.57 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 K 7.81 3.45 0.00 1.84 1.73 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.74 7.81 171 Q 7.84 4.09 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 172 N 7.39 5.06 0.00 2.63 3.12 0.00 0.00 6.59 7.59 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 0.00 173 V 6.93 3.20 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.45 0.00 0.00 0.44 0.00 0.00 174 Y 7.48 4.51 0.00 3.02 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 0.00 175 D 8.05 4.71 0.00 2.41 2.32 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 0.00 176 F 7.72 4.90 0.00 2.55 2.51 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 0.00 177 P 0.00 4.82 0.00 2.21 2.30 0.00 3.88 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.16 0.00 178 F 8.25 4.88 0.00 3.15 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 0.00 179 F 9.41 5.02 0.00 3.14 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 0.00 180 V 8.29 4.14 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 0.42 0.00 0.00 0.70 0.00 0.00 181 V 8.24 4.01 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 0.81 0.00 0.00 0.67 0.00 0.00 182 D 8.56 4.31 0.00 2.65 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 0.00 183 A 8.68 4.50 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 E 8.47 4.01 0.00 2.04 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 2.35 2.37 0.00 185 L 7.23 4.10 0.00 1.65 1.59 0.89 1.02 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 0.00 186 D 8.30 4.60 0.00 2.93 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 0.00 187 V 8.30 3.57 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 1.13 0.00 0.00 0.91 0.00 0.00 188 K 8.09 3.92 0.00 1.83 1.85 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.54 7.81 189 T 7.69 3.85 4.39 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 1.21 0.00 0.00 190 Q 8.03 4.01 0.00 2.27 2.18 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 2.47 2.60 0.00 191 I 8.11 3.72 1.96 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 1.58 0.85 0.91 0.00 0.00 192 E 8.23 3.93 0.00 2.16 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 2.32 2.36 0.00 193 L 8.34 4.12 0.00 1.97 1.92 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 194 I 8.17 3.94 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.95 0.99 0.00 0.00 195 M 8.49 4.05 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.89 0.00 196 N 8.24 4.26 0.00 2.90 2.87 0.00 0.00 6.68 6.46 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 0.00 197 K 7.59 3.68 0.00 1.03 1.38 0.00 1.38 0.00 0.00 1.08 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.99 7.81 198 L 8.11 4.09 0.00 1.80 1.69 0.92 0.59 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 0.00 199 N 8.23 4.41 0.00 2.70 2.87 0.00 0.00 7.13 7.76 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 0.00 200 S 7.81 4.33 0.00 3.97 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 0.00 201 I 7.32 4.08 1.88 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 1.35 0.76 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.