NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.3458 8.3301 116.7894 58.6760 63.3656 173.0334 8 A 4.1770 8.3657 128.7578 51.4080 19.6403 175.7257 9 T 4.4768 7.5111 105.9087 61.4799 71.0701 172.4428 10 I 4.4845 8.3662 116.4854 59.0229 40.3404 174.3087 11 K 4.7268 8.5661 126.5686 55.9550 32.8252 176.0512 12 V 4.7655 8.6631 120.4715 59.8197 35.4847 174.6615 13 T 4.9027 8.6562 112.0809 59.0869 72.0916 174.5280 14 D 4.5193 9.3369 121.8452 57.0362 40.3953 179.2064 15 A 4.0975 8.0255 119.7038 54.1176 18.8702 178.6061 16 S 4.5435 7.7734 111.1651 58.7814 63.7802 176.0932 17 F 3.9198 8.1444 124.8715 61.4884 39.2289 176.6402 18 A 4.0538 8.1336 119.8411 55.5356 18.0116 179.6505 19 T 3.8523 7.7213 112.7119 66.7895 68.7971 176.3656 20 D 4.4334 8.0416 119.5277 55.8248 41.1087 177.3250 21 V 3.8263 7.2198 116.0714 64.4425 32.4459 177.7946 22 L 3.9519 7.3724 117.7724 57.1204 41.7914 178.6305 23 S 4.6675 7.5062 111.7385 57.8866 63.2990 174.3551 24 S 4.1408 7.3036 116.2099 58.3729 62.7446 173.7275 25 N 4.4020 8.7567 126.1653 56.4997 39.0724 175.5253 26 K 4.1832 7.6970 117.4540 55.1972 33.2377 174.3866 27 P 4.6244 0.0000 0.0000 63.1097 32.9148 175.2433 28 V 4.7994 8.7066 122.2907 61.0764 34.5875 173.9665 29 L 4.9032 8.9957 131.2357 54.0304 43.3983 175.1239 30 V 4.5239 9.0582 128.1866 61.6093 33.3897 174.1119 31 D 5.0706 9.0319 129.2020 52.9156 42.1156 175.3418 32 F 5.1043 9.2412 127.2335 56.8877 40.0685 175.1293 33 W 5.2900 9.1845 120.3760 55.0567 32.3891 173.4953 34 A 4.1128 7.8741 119.5972 50.0487 21.5169 177.6109 35 T 3.7979 7.8124 109.9128 63.7951 69.1131 175.4885 36 W 4.5260 7.0998 116.6585 56.7458 29.2550 175.8792 37 C 4.4046 7.2397 121.1795 58.4577 31.9782 173.4238 38 G 3.7462 8.8414 115.8659 47.5192 0.0000 173.5646 39 P 4.3794 0.0000 0.0000 65.2282 31.1211 178.1455 40 C 4.2148 7.7365 115.8513 62.5329 28.1698 176.0040 41 K 4.0564 8.0650 120.3790 59.4618 31.3953 179.2749 42 M 4.0093 7.5674 118.4322 57.8877 32.1593 178.4015 43 V 3.9500 7.2867 116.1073 63.0773 32.1054 178.0319 44 A 3.7955 7.5949 121.9821 54.9882 18.2250 177.8671 45 P 4.4255 0.0000 0.0000 65.1327 31.4573 179.0603 46 V 3.5412 7.6732 117.0547 66.0622 31.4485 177.9442 47 L 3.9605 7.8127 118.6847 57.4760 41.4216 178.9898 48 E 3.8415 8.0460 119.3752 59.3776 29.4768 178.8193 49 E 3.9363 8.0141 118.2431 59.4640 29.4789 179.4174 50 I 3.6386 7.8523 119.5335 64.3674 36.9621 178.1891 51 A 3.9475 7.9608 120.5385 55.5302 18.1892 179.6351 52 T 4.0118 7.5063 112.5385 66.8736 68.7878 176.9303 53 E 4.1779 8.3170 119.3521 58.3732 29.6912 178.1216 54 R 4.5674 7.9708 116.7520 55.6568 30.7855 177.8157 55 A 4.0114 8.2046 124.0930 55.5411 18.3400 180.0182 56 T 4.1152 7.8460 103.9662 63.4455 69.3119 174.7943 57 D 4.8153 7.9971 120.7610 54.6132 42.8565 176.1720 58 L 4.8158 7.5394 119.1897 53.9078 45.2644 175.0966 59 T 4.5610 8.7531 122.5484 62.1172 71.0128 173.7253 60 V 4.7949 8.2841 124.4581 61.0754 34.2569 173.8818 61 A 5.1927 9.0495 129.7280 49.9999 22.3850 174.7296 62 K 4.8663 8.9364 120.2536 54.4064 35.4008 175.0628 63 L 4.8601 9.0070 127.4205 52.9667 44.5267 175.1568 64 D 4.1415 8.6743 127.3315 53.7843 41.0165 177.3635 65 V 3.8238 8.3423 121.4506 63.9817 31.8956 178.4217 66 D 4.4468 8.3105 119.6694 56.4413 40.9143 177.4005 67 T 4.3085 7.8589 106.5850 62.1844 69.8207 174.1086 68 N 5.4020 7.9143 119.1049 50.1281 39.3519 173.9562 69 P 4.5704 0.0000 0.0000 64.9233 31.9043 177.9734 70 E 3.8979 8.2253 119.2868 59.6253 29.4678 178.6216 71 T 3.7846 8.4980 115.8481 66.4401 68.3546 176.4565 72 A 4.1545 7.8341 122.0453 55.4283 18.4634 179.9743 73 R 3.8493 8.1101 116.5065 59.4106 29.9072 179.0458 74 N 4.2874 8.1560 115.3879 54.9917 38.3939 175.8843 75 F 4.6325 7.2289 116.8170 56.3320 40.0766 175.2126 76 Q 3.2907 7.5406 117.6081 56.8308 26.3545 174.8664 77 V 3.8910 7.8666 117.1248 61.9834 32.0880 175.0464 78 V 4.1961 8.3796 127.1531 63.4020 32.9249 175.3413 79 S 4.8806 7.7194 111.6178 56.3559 66.0862 172.6485 80 I 4.8663 7.9481 113.2768 58.0111 40.7411 173.1328 81 P 4.7442 0.0000 0.0000 63.4689 32.6303 175.0277 82 T 5.1928 8.6149 118.6057 61.7970 72.0036 172.7684 83 L 5.4861 9.0818 125.8228 53.0560 44.9090 175.4371 84 I 4.8877 8.9033 124.0416 59.3664 40.7644 174.1464 85 L 4.9373 8.6679 129.4345 54.0496 43.5926 175.0262 86 F 5.2261 9.4700 125.4063 55.7703 41.9045 174.9789 87 K 4.8235 8.9825 121.6868 55.4615 36.1370 176.6673 88 D 4.2145 9.9094 125.4444 54.3951 38.3665 174.7254 89 G 4.1402 8.7917 108.1613 45.8595 0.0000 173.4510 90 Q 4.9053 8.0365 117.5489 53.1322 31.4010 173.0221 91 P 4.0009 0.0000 0.0000 62.8324 31.7265 176.3482 92 V 4.3317 8.3589 115.6408 61.0602 33.6537 175.8572 93 K 4.4845 7.5355 120.9670 55.1084 35.6210 173.8935 94 R 5.0538 8.6253 127.1393 54.5558 32.5889 174.5081 95 I 4.6363 8.8416 126.6396 59.5255 40.6032 174.6526 96 V 4.6588 8.5224 119.8168 60.4925 33.6195 175.9712 97 G 4.0201 8.7986 112.5080 44.5360 0.0000 173.3265 98 A 4.2604 8.1946 123.0083 51.8166 19.1672 177.4358 99 K 4.6603 8.1650 119.2868 53.5282 36.4598 177.3440 100 G 3.8240 8.3865 108.0674 43.9673 0.0000 174.6618 101 K 3.8209 8.5862 121.1226 59.5545 32.1865 178.7653 102 A 3.9604 7.9556 119.9429 55.1856 18.4373 179.2389 103 A 3.9417 7.9429 118.8043 55.0721 18.4831 179.5409 104 L 3.8706 8.0134 118.8482 58.3608 42.0577 179.0639 105 L 3.9805 7.7161 117.4796 57.8591 41.8753 179.2145 106 R 4.0110 7.9326 118.4791 59.5091 29.8179 178.2426 107 E 4.0216 8.0393 117.8430 58.9229 29.7023 178.3887 108 L 4.0858 7.8171 118.1304 56.0892 41.9691 177.3995 109 S 4.4262 7.2071 113.2659 57.8041 62.9860 173.6247 110 D 4.5931 8.5357 124.0866 55.0903 41.1268 176.5411 111 V 4.5061 7.4384 112.0518 59.4420 34.4838 175.0536 112 V 4.5603 7.8688 113.5833 58.7291 34.9304 174.0327 113 P 4.5451 0.0000 0.0000 62.3880 32.3205 176.0593 114 N 4.5330 8.5549 116.4701 53.0785 37.4767 174.6380 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 7 S 8.33 4.35 0.00 3.85 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 8 A 8.37 4.18 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 9 T 7.51 4.48 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 1.11 0.00 0.00 10 I 8.37 4.48 1.83 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 1.15 1.06 0.87 0.00 0.00 11 K 8.57 4.73 0.00 1.81 1.77 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.57 7.81 12 V 8.66 4.77 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.01 0.00 0.00 13 T 8.66 4.90 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 1.24 0.00 0.00 14 D 9.34 4.52 0.00 2.77 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 15 A 8.03 4.10 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 16 S 7.77 4.54 0.00 4.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.14 3.92 0.00 3.31 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.13 4.05 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 T 7.72 3.85 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 20 D 8.04 4.43 0.00 2.50 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.22 3.83 0.74 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 -0.06 0.00 0.00 0.00 0.00 0.00 22 L 7.37 3.95 0.00 1.91 1.74 1.12 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.51 4.67 0.00 3.99 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 24 S 7.30 4.14 0.00 3.87 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 25 N 8.76 4.40 0.00 2.71 2.80 0.00 0.00 7.02 6.68 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 26 K 7.70 4.18 0.00 1.73 1.67 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.55 1.45 7.81 27 P 0.00 4.62 0.00 2.11 1.97 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 28 V 8.71 4.80 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 0.69 0.00 0.00 0.88 0.00 0.00 29 L 9.00 4.90 0.00 1.80 1.54 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.06 4.52 2.34 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 0.41 0.00 0.00 0.86 0.00 0.00 31 D 9.03 5.07 0.00 2.78 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 9.24 5.10 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 33 W 9.18 5.29 0.00 3.37 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 34 A 7.87 4.11 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.81 3.80 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 0.92 0.00 0.00 36 W 7.10 4.53 0.00 3.55 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 37 C 7.24 4.40 0.00 1.75 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 38 G 8.84 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 0.00 0.00 0.00 0.00 39 P 0.00 4.38 0.00 2.30 2.36 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 40 C 7.74 4.21 0.00 3.36 3.18 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 0.00 41 K 8.06 4.06 0.00 2.01 1.86 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.76 7.81 42 M 7.57 4.01 0.00 1.99 2.35 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.56 0.00 43 V 7.29 3.95 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 0.82 0.00 0.00 0.92 0.00 0.00 44 A 7.59 3.80 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 45 P 0.00 4.43 0.00 2.14 2.13 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 46 V 7.67 3.54 2.23 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 1.08 0.00 0.00 0.91 0.00 0.00 47 L 7.81 3.96 0.00 1.81 1.61 0.84 0.80 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 48 E 8.05 3.84 0.00 1.97 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 2.26 2.31 0.00 49 E 8.01 3.94 0.00 2.23 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 2.30 2.50 0.00 50 I 7.85 3.64 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.68 0.89 0.00 0.00 51 A 7.96 3.95 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 52 T 7.51 4.01 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 53 E 8.32 4.18 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 54 R 7.97 4.57 0.00 1.87 1.87 0.00 3.29 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 55 A 8.20 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.85 4.12 4.23 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 1.20 0.00 0.00 57 D 8.00 4.82 0.00 2.80 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 58 L 7.54 4.82 0.00 1.57 1.58 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.75 4.56 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 1.15 0.00 0.00 60 V 8.28 4.79 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 1.06 0.00 0.00 0.90 0.00 0.00 61 A 9.05 5.19 1.08 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 0.00 0.00 62 K 8.94 4.87 0.00 1.62 1.61 0.00 1.24 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.16 7.81 63 L 9.01 4.86 0.00 1.48 1.10 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.67 4.14 0.00 2.44 2.42 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 65 V 8.34 3.82 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.99 0.00 0.00 66 D 8.31 4.45 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.86 4.31 4.23 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 1.18 0.00 0.00 68 N 7.91 5.40 0.00 2.80 2.96 0.00 0.00 7.01 9.28 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 69 P 0.00 4.57 0.00 2.27 2.32 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.88 0.00 70 E 8.23 3.90 0.00 2.09 2.18 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 2.36 2.43 0.00 71 T 8.50 3.78 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 0.49 0.00 0.00 72 A 7.83 4.15 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 3.85 0.00 2.02 1.95 0.00 3.11 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 74 N 8.16 4.29 0.00 2.58 2.31 0.00 0.00 6.85 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.23 4.63 0.00 2.87 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 76 Q 7.54 3.29 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 77 V 7.87 3.89 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 0.71 0.00 0.00 0.23 0.00 0.00 78 V 8.38 4.20 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 0.92 0.00 0.00 0.99 0.00 0.00 79 S 7.72 4.88 0.00 4.00 3.80 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 80 I 7.95 4.87 1.89 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.65 1.01 0.00 0.00 81 P 0.00 4.74 0.00 2.19 2.27 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 82 T 8.61 5.19 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 1.17 0.00 0.00 83 L 9.08 5.49 0.00 1.59 1.60 0.94 0.65 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 84 I 8.90 4.89 2.10 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.77 0.35 0.00 0.00 85 L 8.67 4.94 0.00 1.75 1.47 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 86 F 9.47 5.23 0.00 2.92 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 87 K 8.98 4.82 0.00 1.70 1.66 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.42 7.81 88 D 9.91 4.21 0.00 2.86 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 89 G 8.79 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 90 Q 8.04 4.91 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 91 P 0.00 4.00 0.00 1.99 1.45 0.00 3.53 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 2.08 2.33 0.00 92 V 8.36 4.33 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 0.70 0.00 0.00 0.95 0.00 0.00 93 K 7.54 4.48 0.00 1.80 1.54 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.47 7.81 94 R 8.63 5.05 0.00 1.77 1.73 0.00 3.20 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 95 I 8.84 4.64 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.95 0.00 0.00 96 V 8.52 4.66 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 0.70 0.00 0.00 0.94 0.00 0.00 97 G 8.80 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 98 A 8.19 4.26 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.17 4.66 0.00 1.69 1.65 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.37 7.81 100 G 8.39 3.82 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 0.00 0.00 0.00 101 K 8.59 3.82 0.00 1.81 1.82 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.51 7.81 102 A 7.96 3.96 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 0.00 103 A 7.94 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.01 3.87 0.00 1.84 1.84 0.92 0.51 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 0.00 105 L 7.72 3.98 0.00 1.66 1.72 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.93 4.01 0.00 1.90 2.06 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 107 E 8.04 4.02 0.00 2.13 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 2.32 2.34 0.00 108 L 7.82 4.09 0.00 1.82 1.71 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 109 S 7.21 4.43 0.00 3.85 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 0.00 110 D 8.54 4.59 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.44 4.51 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 0.70 0.00 0.00 0.93 0.00 0.00 112 V 7.87 4.56 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 0.76 0.00 0.00 0.93 0.00 0.00 113 P 0.00 4.55 0.00 2.17 2.04 0.00 3.73 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 1.98 1.94 0.00 114 N 8.55 4.53 0.00 2.81 2.81 0.00 0.00 5.93 7.56 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