NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 3.7099 8.3149 120.0604 56.3458 33.3664 174.4830 12 R 4.2295 8.4346 120.0601 55.0259 37.3010 169.7254 13 Q 4.3200 8.4154 122.2543 55.6385 26.9534 172.3740 14 V 4.0256 8.3868 121.7984 61.5591 32.3472 174.0139 15 A 4.0898 7.8603 122.9923 51.0008 17.2869 176.5229 16 S 4.7434 7.2193 109.9729 56.2636 66.4950 174.5577 17 G 4.1002 8.2522 106.5057 46.5576 0.0000 172.0404 18 R 5.1359 8.6202 118.6457 54.4509 33.5272 175.6217 19 A 4.7273 9.3376 125.2928 50.2760 20.6446 173.7756 20 Y 4.5817 9.0254 119.0789 58.2061 39.6502 174.6539 21 I 4.5095 8.7537 125.7667 59.9639 39.6750 174.8898 22 H 5.3097 9.2653 130.1168 54.7545 28.2985 173.7646 23 A 4.6729 8.3430 123.6774 51.5713 19.7185 176.8723 24 S 4.5755 7.8115 111.5765 58.1782 65.9926 175.9263 25 Y 5.0099 8.3009 116.4047 58.3322 37.2030 176.3789 26 N 4.9920 8.2278 115.8398 53.7147 42.4732 172.7402 27 N 4.4385 7.5897 121.5736 50.6105 45.7800 173.7954 28 T 4.3702 8.9422 108.9155 65.1884 68.8575 170.7356 29 I 4.8662 8.2407 124.6236 59.3699 42.0949 173.3729 30 V 4.9991 8.5143 128.4189 61.4777 34.4486 174.3836 31 T 5.0728 8.9909 123.8611 61.8818 71.4093 173.3189 32 I 4.6127 8.4860 128.2350 61.3891 38.9490 175.2908 33 T 5.2264 9.4355 120.3093 60.6200 71.7831 172.3343 34 D 5.0260 8.6940 123.9064 51.4108 41.3848 175.8723 35 P 4.4235 0.0000 0.0000 64.1791 31.2382 176.6908 36 D 4.8035 8.2255 115.7931 53.6185 42.3327 176.9581 37 G 4.0280 8.9123 108.4194 45.0117 0.0000 173.6566 38 N 4.4325 8.7387 119.4498 51.8934 38.7591 172.8870 39 P 4.9674 0.0000 0.0000 62.9467 31.5071 175.6338 40 I 3.9825 8.2569 125.0271 62.9294 37.3750 176.0359 41 T 4.9659 7.3116 109.4746 60.1171 72.8855 171.4041 42 W 5.4360 8.1859 116.7241 56.2474 30.9302 173.3716 43 S 4.2783 8.8073 114.8945 58.5160 65.9965 172.3765 44 S 4.8947 8.3346 113.7324 57.9613 64.2650 177.9056 45 G 3.8361 8.5119 108.9889 48.8312 0.0000 175.5345 46 G 4.0662 8.1963 107.9046 47.3038 0.0000 174.7236 47 V 3.5065 7.7504 119.2740 65.6491 31.4635 176.2712 48 I 4.0385 7.3794 119.2715 59.8774 38.4148 175.6138 49 G 3.7784 8.5689 109.4937 49.3364 0.0000 173.7171 50 Y 4.5570 6.8611 116.7817 58.0798 38.6273 176.9540 51 K 4.4795 9.1047 121.6893 57.2116 36.3818 177.0498 52 G 3.9551 8.3200 102.1953 45.7197 0.0000 174.3074 53 S 4.0562 9.6223 117.5497 61.4932 63.3841 175.1918 54 R 3.7326 8.1296 118.6740 59.1322 30.0290 178.4331 55 K 3.8561 7.7606 117.8875 59.5257 32.0318 177.6991 56 G 3.9906 7.9282 104.5550 46.1333 0.0000 173.7846 57 T 4.0447 7.6810 115.7938 61.1093 68.1081 173.1726 58 P 4.4692 0.0000 0.0000 65.8516 31.1199 178.2762 59 Y 4.1830 7.9222 119.6982 60.6075 39.0282 177.1876 60 A 4.3016 7.7838 119.6251 53.9843 18.2960 178.8008 61 A 4.2558 7.6085 118.9679 54.1276 19.7378 178.9792 62 Q 3.8865 7.8574 118.0488 59.4347 29.0572 178.7200 63 L 3.8245 7.8050 119.7317 57.7250 41.5643 179.4122 64 A 3.9189 7.6099 119.5280 54.8114 18.1489 179.6271 65 A 3.8986 8.2976 119.7259 55.3806 18.5031 179.6662 66 L 3.8984 7.9318 117.3544 58.1814 41.7369 179.0638 67 D 4.2995 8.3104 117.6238 57.3774 40.9349 177.8611 68 A 3.9357 8.0702 120.6209 55.3913 18.5976 179.3250 69 A 4.0691 8.2757 119.2047 55.4071 18.4398 179.5276 70 K 3.7638 8.6298 117.4380 59.9445 31.7423 179.3274 71 K 3.8254 8.3190 118.0776 59.8951 32.1092 179.1958 72 A 4.0888 8.0043 120.8656 55.0624 17.9407 179.5065 73 M 4.1364 8.3395 117.4300 58.7766 31.9467 178.7168 74 A 3.8391 7.2415 115.9275 55.2349 18.6594 178.3925 75 Y 4.1307 7.9397 113.6341 58.1488 37.8152 176.9229 76 G 3.9607 9.5748 109.2568 45.1948 0.0000 173.9137 77 M 4.2404 7.9478 118.7573 56.6250 32.6136 175.8323 78 Q 4.5557 10.3594 117.7411 56.1651 34.5893 174.7986 79 S 5.2167 8.1067 112.5764 56.4619 65.8200 173.1672 80 V 5.0682 9.0158 125.0570 61.5153 35.8192 173.2296 81 D 5.1740 8.8206 124.0924 52.4341 43.6965 175.4717 82 V 4.3319 8.7259 124.7105 62.3168 33.4722 175.0770 83 I 4.5535 8.4511 127.6308 59.3012 39.6407 174.3757 84 V 4.2776 8.6962 128.0249 62.6215 33.0228 175.1506 85 R 4.6367 8.9611 125.8073 56.0447 34.0566 175.9283 86 G 3.9962 9.7700 110.1316 46.1529 0.0000 172.4564 87 T 4.4103 7.8484 116.1700 60.9002 70.5992 174.5552 88 G 3.5469 7.7267 114.8011 44.8238 0.0000 172.2861 89 A 4.1579 8.5909 123.5648 53.4194 19.0940 178.5493 90 G 3.9395 8.8962 107.7816 46.1236 0.0000 175.5241 91 R 4.0075 7.2861 120.3019 58.8821 30.0192 177.6178 92 E 4.0847 7.9801 119.0390 58.5217 29.8771 179.2518 93 Q 3.9210 8.0166 117.7516 59.1356 29.0365 177.4528 94 A 3.9833 7.8376 121.7829 55.5354 18.2508 179.5271 95 I 3.6346 7.6766 117.8284 64.9124 37.2447 178.9460 96 R 4.1684 8.0471 119.3890 58.5146 29.6030 178.8922 97 A 4.0026 8.3165 120.2239 55.1543 18.4332 179.5086 98 L 4.0545 7.9186 116.1401 58.2382 41.6323 179.1245 99 Q 4.0841 8.3607 118.0702 58.0028 28.8053 178.9673 100 A 4.7224 8.4237 124.0674 50.1681 18.3275 181.6906 101 S 3.2398 9.0410 118.8196 61.8734 63.4349 171.6769 102 G 3.9177 8.4559 106.5577 45.9684 0.0000 173.3767 103 L 4.8145 7.6016 119.7883 53.2630 43.8512 175.6139 104 Q 4.4631 8.8784 123.4849 54.6310 31.1365 174.7799 105 V 4.3766 8.3343 126.9276 61.7673 30.9996 175.4843 106 K 4.3156 9.1834 128.8123 59.1178 32.3358 177.5281 107 S 4.7009 7.7669 112.0233 57.2464 66.5199 172.7242 108 I 4.9831 8.1911 120.7615 59.5863 40.1009 175.3074 109 V 4.3973 8.4537 125.5910 61.1944 35.2062 173.2885 110 D 4.9905 8.7356 127.5234 52.9280 42.0171 175.2690 111 D 4.9917 8.7595 128.1918 54.1090 41.8341 175.6860 112 T 4.1466 8.1489 113.9678 62.4832 69.0711 173.0933 113 P 4.4443 0.0000 0.0000 62.4299 32.2754 176.1759 114 V 4.3871 7.9256 120.0762 59.3413 34.0328 173.3824 115 P 4.3818 0.0000 0.0000 62.7526 32.2849 176.2152 116 H 4.6554 8.4309 119.0728 55.7456 28.3063 175.4132 117 N 4.1018 8.1259 119.4735 53.5164 35.4209 173.7247 118 G 3.9439 8.3600 107.2968 46.4034 0.0000 170.2766 119 C 4.6375 7.6687 117.6123 56.7187 30.1022 173.8354 120 R 3.9646 8.4681 124.5313 55.5154 29.9343 174.6503 121 P 4.5291 0.0000 0.0000 62.0465 32.3174 176.1583 122 K 4.2775 8.5666 118.3661 56.2452 33.6718 177.7811 123 K 3.8690 9.0028 121.3560 60.2237 32.1925 178.8404 124 K 3.8056 7.6994 116.0668 59.1078 31.8897 177.2408 125 F 4.8071 8.1747 113.9003 57.1321 39.3817 175.8705 126 R 4.1265 7.9579 121.1521 56.4077 30.6256 172.5372 127 K 3.9938 9.1812 124.5049 57.1095 30.7573 175.7236 128 A 4.3303 8.4042 131.2030 50.3335 22.7487 176.0082 129 S 4.0684 9.1217 112.5618 60.6118 64.3871 172.3834 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 11 K 8.31 3.71 0.00 1.62 1.64 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.25 7.81 12 R 8.43 4.23 0.00 1.99 1.98 0.00 3.42 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 13 Q 8.42 4.32 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 14 V 8.39 4.03 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 0.93 0.00 0.00 1.06 0.00 0.00 15 A 7.86 4.09 1.38 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 0.00 0.00 16 S 7.22 4.74 0.00 3.96 3.84 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 17 G 8.25 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 0.00 0.00 0.00 0.00 18 R 8.62 5.14 0.00 1.82 1.66 0.00 3.09 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 19 A 9.34 4.73 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 9.03 4.58 0.00 3.11 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 21 I 8.75 4.51 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.74 0.93 0.00 0.00 22 H 9.27 5.31 0.00 3.24 3.36 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.34 4.67 1.16 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 0.00 0.00 24 S 7.81 4.58 0.00 3.75 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 25 Y 8.30 5.01 0.00 3.08 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 26 N 8.23 4.99 0.00 2.70 2.81 0.00 0.00 6.81 8.64 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 27 N 7.59 4.44 0.00 2.77 2.58 0.00 0.00 7.40 7.10 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 28 T 8.94 4.37 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 1.25 0.00 0.00 29 I 8.24 4.87 2.01 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 1.28 1.68 1.00 0.00 0.00 30 V 8.51 5.00 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 1.01 0.00 0.00 0.98 0.00 0.00 31 T 8.99 5.07 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 1.24 0.00 0.00 32 I 8.49 4.61 1.86 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 1.15 1.08 0.96 0.00 0.00 33 T 9.44 5.23 4.38 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 1.37 0.00 0.00 34 D 8.69 5.03 0.00 2.80 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 35 P 0.00 4.42 0.00 2.08 2.16 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 36 D 8.23 4.80 0.00 3.11 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 37 G 8.91 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 0.00 0.00 0.00 38 N 8.74 4.43 0.00 2.96 2.76 0.00 0.00 6.60 7.58 0.00 0.00 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 P 0.00 4.97 0.00 2.14 1.99 0.00 3.30 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.86 0.00 40 I 8.26 3.98 1.61 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 1.02 0.45 -0.41 0.00 0.00 41 T 7.31 4.97 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 1.07 0.00 0.00 42 W 8.19 5.44 0.00 3.54 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 43 S 8.81 4.28 0.00 3.84 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.33 4.89 0.00 4.18 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 45 G 8.51 3.84 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 0.00 0.00 0.00 46 G 8.20 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 47 V 7.75 3.51 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 0.51 0.00 0.00 0.32 0.00 0.00 48 I 7.38 4.04 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 0.65 0.00 0.00 49 G 8.57 3.78 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 0.00 0.00 0.00 50 Y 6.86 4.56 0.00 3.36 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 51 K 9.10 4.48 0.00 1.78 1.86 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.44 7.81 52 G 8.32 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 53 S 9.62 4.06 0.00 3.86 3.87 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 54 R 8.13 3.73 0.00 1.39 1.62 0.00 3.31 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 55 K 7.76 3.86 0.00 2.00 1.89 0.00 1.96 0.00 0.00 1.84 0.00 0.00 3.14 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.54 7.81 56 G 7.93 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 57 T 7.68 4.04 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 58 P 0.00 4.47 0.00 2.37 2.35 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 59 Y 7.92 4.18 0.00 3.03 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 60 A 7.78 4.30 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.61 4.26 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.86 3.89 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 63 L 7.80 3.82 0.00 1.49 1.50 0.60 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.61 3.92 1.45 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 0.00 0.00 65 A 8.30 3.90 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 66 L 7.93 3.90 0.00 1.67 1.72 0.91 0.91 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 67 D 8.31 4.30 0.00 2.67 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 68 A 8.07 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.28 4.07 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 70 K 8.63 3.76 0.00 1.88 1.86 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.75 7.81 71 K 8.32 3.83 0.00 1.78 1.90 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.43 1.59 7.81 72 A 8.00 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 M 8.34 4.14 0.00 2.04 2.23 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 2.63 3.00 0.00 74 A 7.24 3.84 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 7.94 4.13 0.00 3.27 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 76 G 9.57 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 77 M 7.95 4.24 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 78 Q 10.36 4.56 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 79 S 8.11 5.22 0.00 3.86 3.66 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 80 V 9.02 5.07 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 0.85 0.00 0.00 0.93 0.00 0.00 81 D 8.82 5.17 0.00 2.60 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 82 V 8.73 4.33 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 0.98 0.00 0.00 0.90 0.00 0.00 83 I 8.45 4.55 1.26 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.21 0.79 0.00 0.00 84 V 8.70 4.28 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 1.00 0.00 0.00 0.91 0.00 0.00 85 R 8.96 4.64 0.00 1.90 1.74 0.00 3.30 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 86 G 9.77 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.85 4.41 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 1.17 0.00 0.00 88 G 7.73 3.55 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 0.00 89 A 8.59 4.16 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 90 G 8.90 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.29 4.01 0.00 1.93 1.86 0.00 3.07 0.00 0.00 3.08 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 92 E 7.98 4.08 0.00 2.13 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 2.39 2.47 0.00 93 Q 8.02 3.92 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 94 A 7.84 3.98 1.44 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 95 I 7.68 3.63 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.91 0.96 0.00 0.00 96 R 8.05 4.17 0.00 1.98 1.99 0.00 3.16 0.00 0.00 3.45 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 97 A 8.32 4.00 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 98 L 7.92 4.05 0.00 1.83 1.74 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.36 4.08 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 100 A 8.42 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 9.04 3.24 0.00 4.07 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 0.00 102 G 8.46 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 0.00 0.00 0.00 103 L 7.60 4.81 0.00 1.56 1.60 0.93 0.91 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 0.00 104 Q 8.88 4.46 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 105 V 8.33 4.38 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 0.83 0.00 0.00 0.93 0.00 0.00 106 K 9.18 4.32 0.00 1.69 1.84 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.53 7.81 107 S 7.77 4.70 0.00 3.82 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 0.00 108 I 8.19 4.98 1.85 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 1.20 0.66 0.89 0.00 0.00 109 V 8.45 4.40 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 0.99 0.00 0.00 0.89 0.00 0.00 110 D 8.74 4.99 0.00 2.71 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 0.00 111 D 8.76 4.99 0.00 2.62 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 0.00 112 T 8.15 4.15 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 1.19 0.00 0.00 113 P 0.00 4.44 0.00 2.14 2.03 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 114 V 7.93 4.39 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 115 P 0.00 4.38 0.00 2.05 1.99 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 116 H 8.43 4.66 0.00 3.12 3.26 0.00 5.85 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.13 4.10 0.00 2.88 2.87 0.00 0.00 6.91 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 0.00 118 G 8.36 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 7.67 4.64 0.00 2.94 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 0.00 120 R 8.47 3.96 0.00 1.78 1.87 0.00 3.25 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 121 P 0.00 4.53 0.00 2.36 2.05 0.00 3.84 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 122 K 8.57 4.28 0.00 2.04 2.06 0.00 1.89 0.00 0.00 1.89 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.71 1.83 7.81 123 K 9.00 3.87 0.00 1.81 1.87 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.51 7.81 124 K 7.70 3.81 0.00 1.52 0.74 0.00 1.23 0.00 0.00 1.38 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.21 7.81 125 F 8.17 4.81 0.00 2.94 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 0.00 126 R 7.96 4.13 0.00 1.82 1.92 0.00 3.35 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 127 K 9.18 3.99 0.00 1.95 1.97 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.37 7.81 128 A 8.40 4.33 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 0.00 129 S 9.12 4.07 0.00 4.13 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