NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 A 4.3403 8.2649 123.5822 52.4495 20.1079 175.9926 18 R 4.3980 8.5580 116.6097 55.9988 31.6251 174.7010 19 S 4.6840 7.7429 109.7225 56.5614 67.0361 171.8318 20 L 5.1236 8.7872 122.2294 54.7689 42.2175 176.7084 21 S 4.7548 8.5913 119.5663 57.2895 66.4817 173.0047 22 I 4.9627 8.2927 122.0344 60.3734 38.7540 175.3104 23 T 4.3001 8.5934 116.0510 61.7869 70.3248 175.3343 24 T 3.4748 8.4308 108.4217 62.2047 67.2995 170.8286 25 P 4.5686 0.0000 0.0000 65.2268 32.6957 175.8305 26 E 5.8210 7.7623 118.4844 54.3434 33.0022 173.9548 27 E 4.7713 8.7841 123.6262 55.0118 34.6598 174.1564 28 M 5.4655 8.1878 119.2226 53.7595 31.7661 174.9863 29 I 4.0107 8.0189 122.1190 61.1391 39.0360 175.5633 30 E 5.1917 8.7288 125.3622 54.6408 32.5196 175.2267 31 K 4.7620 8.8133 121.4366 55.1586 37.5477 174.9965 32 A 4.9061 8.6446 123.6562 49.8137 21.1826 176.5768 33 K 4.0479 8.3179 121.0873 58.0600 32.7338 175.4944 34 G 4.1611 9.0533 112.8020 45.6454 0.0000 173.6229 35 E 4.2070 7.7631 118.8250 56.4100 31.2356 176.4959 36 T 4.9592 8.2173 110.7630 59.8526 69.9990 173.7479 37 A 4.1225 8.9046 130.4171 51.9471 19.8067 175.3217 38 Y 4.7347 8.5785 123.7406 56.0977 40.3785 175.1327 39 L 4.4007 8.1830 129.0797 52.3846 42.9759 174.4332 40 P 4.5031 0.0000 0.0000 62.5298 33.2238 177.3010 41 C 5.0605 8.7045 118.2071 56.1898 47.0359 171.0239 42 K 5.2873 8.1836 121.7185 54.5025 33.9228 175.5461 43 F 5.5160 8.5430 119.4001 55.3701 41.2902 174.3213 44 T 4.7186 8.9083 115.7917 61.8734 71.9466 173.2239 45 L 5.3299 8.5373 123.2510 53.1562 45.1753 175.4919 46 S 4.8383 9.1845 115.3374 55.8961 65.7612 173.6143 47 P 4.3457 0.0000 0.0000 65.2135 31.1767 177.8623 48 E 4.1758 7.6517 113.7057 58.0368 29.9211 177.7751 49 D 4.8054 7.7614 120.6527 54.1943 38.5906 175.6563 50 Q 4.3461 8.0818 119.7334 55.7907 30.0181 176.3494 51 G 3.8893 7.9068 107.5778 43.9100 0.0000 171.5248 52 P 4.3864 0.0000 0.0000 62.0605 31.8878 176.0120 53 L 4.2181 8.4171 123.9288 55.6095 43.0092 176.4064 54 D 4.8471 9.0556 125.6845 52.9563 43.0103 172.9386 55 I 5.0300 9.0509 125.4598 59.1994 40.3149 174.3111 56 E 5.3460 8.6562 121.9689 54.9226 33.5411 173.7201 57 W 5.2191 9.5527 122.2565 55.2913 31.4532 175.3142 58 L 5.2063 9.1835 124.2498 52.9084 45.0974 175.1129 59 I 4.1465 8.9176 121.8174 59.3951 40.9372 174.6083 60 S 5.1735 8.6009 126.9881 55.8506 62.9052 171.3253 61 P 4.7459 0.0000 0.0000 62.6141 31.6711 176.7196 62 A 4.2410 8.9183 125.7766 55.4145 18.0340 179.1483 63 D 4.3825 8.2721 112.9953 55.7064 39.8800 176.3266 64 N 4.8288 7.8001 116.5624 51.8599 40.1071 175.1074 65 Q 4.0790 8.5700 118.2856 58.9623 29.0613 176.9009 66 K 4.3748 7.7483 116.5471 56.1748 33.7231 175.8425 67 V 4.3810 7.8897 116.6770 61.6911 33.7678 173.1411 68 D 4.3614 8.4666 119.4831 55.6706 38.5489 174.1176 69 Q 4.4499 7.9331 117.7882 54.9974 30.4662 176.4702 70 V 4.1999 8.4937 124.3240 63.2135 31.7994 174.9377 71 I 4.6110 9.0184 120.7549 62.0995 39.6739 175.5714 72 I 4.9962 7.7105 120.8163 59.1169 42.0074 173.3365 73 L 5.4828 9.1254 127.5399 53.7854 46.2576 174.2409 74 Y 5.3127 9.6130 126.7242 56.1026 41.9356 173.8809 75 S 4.6472 8.8521 120.4482 57.2566 66.6764 173.7939 76 G 4.2024 9.2963 112.1038 47.3225 0.0000 172.5825 77 D 4.1916 7.6799 111.5052 52.8066 38.9446 174.5709 78 K 4.3024 6.8278 115.4956 55.0527 36.7479 175.8209 79 I 4.7384 7.9553 124.1057 60.5355 38.4352 174.7897 80 Y 4.8406 9.0643 122.9383 56.2640 40.2753 175.7818 81 D 4.8173 8.8317 123.0731 54.6720 41.8789 176.7198 82 D 4.6648 7.6297 120.3215 52.9054 39.4110 174.6561 83 Y 4.5193 7.8817 118.2711 58.9418 40.1700 175.9532 84 Y 4.5094 7.9462 121.7860 55.2761 39.9806 173.9979 85 P 4.2081 0.0000 0.0000 66.1113 31.5877 177.8162 86 D 4.6227 7.6067 115.1954 55.1714 40.8703 176.3444 87 L 4.8584 8.0285 118.9307 53.8900 43.1386 175.9470 88 K 4.0555 8.0297 121.0305 58.0182 32.2272 177.4451 89 G 4.0406 9.0148 114.1962 45.7169 0.0000 173.8284 90 R 4.6747 8.0362 117.5026 54.9108 31.6293 175.4875 91 V 4.9802 7.7313 118.8307 61.4302 34.4676 174.1617 92 H 5.0493 8.5152 122.1013 53.5533 32.5674 172.7276 93 F 4.6738 8.7724 118.6611 57.6751 39.4341 176.1948 94 T 4.1306 8.9038 116.1480 63.6644 69.1849 174.9306 95 S 4.7142 8.0804 116.2886 56.7411 63.5785 172.7138 96 N 4.8843 8.6749 124.2272 52.8807 38.0505 175.2433 97 D 4.7444 8.1676 115.7029 53.0764 41.6021 175.5480 98 L 4.2598 8.1927 124.6705 57.0707 42.1985 180.6794 99 K 3.9947 7.8607 115.3180 59.8626 32.4515 178.0591 100 S 4.0758 7.5080 114.5534 59.3704 62.9157 173.9482 101 G 2.3347 7.6286 110.8698 44.6597 0.0000 173.1386 102 D 5.1786 7.7790 121.4087 52.0850 40.8253 175.3704 103 A 4.7317 8.9870 122.3432 52.0266 19.1786 177.7640 104 S 4.7718 8.5354 113.3794 59.4710 64.2222 173.6287 105 I 5.0459 8.2346 115.0951 59.1087 41.2660 173.5540 106 N 5.2231 8.4208 119.7802 51.0609 40.6672 173.5245 107 V 4.5397 8.2472 121.9530 61.4926 33.0983 175.0331 108 T 4.1965 8.5815 119.4273 61.6105 70.2039 173.4935 109 N 4.5304 8.4381 119.6762 53.2210 36.9427 173.9920 110 L 4.1694 8.5355 120.6265 55.3365 43.1557 177.2509 111 Q 5.0165 9.0021 120.7479 53.6374 31.7639 176.8228 112 L 4.1035 8.3288 118.7098 57.7376 41.7704 179.2312 113 S 4.4658 8.0165 110.6881 59.3975 63.2684 174.1224 114 D 4.7996 7.7593 120.2129 54.5581 41.1341 176.7565 115 I 4.0443 7.6581 121.5177 60.1014 37.7665 176.1907 116 G 4.0667 7.6078 113.0534 45.6441 0.0000 171.0041 117 T 4.4608 7.7524 116.6170 62.7766 69.1012 174.5688 118 Y 4.7725 9.4682 125.5387 57.3669 40.0750 174.7893 119 Q 4.8682 9.5947 123.1251 54.5891 33.2890 172.9713 120 C 4.2260 8.8858 126.0855 54.3994 40.1856 172.1523 121 K 4.6818 8.3724 129.0242 54.7073 33.7148 174.9107 122 V 4.3949 8.6537 128.3131 60.8741 34.0094 174.2972 123 K 4.9202 8.3933 126.7126 54.6733 35.5505 175.7417 124 K 4.8083 9.2189 125.8745 54.8295 34.3729 173.7982 125 A 4.4346 8.5754 127.5129 51.5901 19.3154 175.9373 126 P 4.5555 0.0000 0.0000 62.8963 32.2131 176.7706 127 G 3.7624 8.0515 110.0901 45.8753 0.0000 172.9790 128 V 4.8695 7.8005 121.4320 61.5476 34.7999 173.1464 129 A 4.6301 8.6333 126.9898 51.5916 23.0941 174.5080 130 N 5.3158 8.4752 115.5804 51.5059 40.8709 173.4888 131 K 4.7969 8.6209 119.9269 54.5983 35.9580 174.7591 132 K 5.0876 8.7844 125.3721 54.7912 35.1334 175.2551 133 I 4.9944 9.2247 124.5527 60.0130 40.8517 174.4092 134 H 5.0398 9.1053 124.6089 54.3863 29.5521 173.4077 135 L 4.7477 8.7105 126.9024 54.0987 43.3563 175.5978 136 V 4.6302 8.5410 126.1716 61.0970 34.8775 175.8370 137 V 4.9959 7.9744 122.8157 62.1056 31.7838 175.1308 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 17 A 8.26 4.34 1.33 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 18 R 8.56 4.40 0.00 1.78 1.97 0.00 3.32 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 19 S 7.74 4.68 0.00 3.81 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 20 L 8.79 5.12 0.00 1.88 1.63 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.59 4.75 0.00 3.89 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 22 I 8.29 4.96 1.87 0.00 0.00 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 1.43 0.59 1.00 0.00 0.00 23 T 8.59 4.30 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 1.23 0.00 0.00 24 T 8.43 3.47 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 1.23 0.00 0.00 25 P 0.00 4.57 0.00 2.09 2.13 0.00 3.57 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 2.11 2.28 0.00 26 E 7.76 5.82 0.00 1.99 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 0.00 2.28 2.20 0.00 27 E 8.78 4.77 0.00 1.93 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 28 M 8.19 5.47 0.00 1.84 1.97 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 2.46 2.55 0.00 29 I 8.02 4.01 1.85 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 1.23 0.56 0.89 0.00 0.00 30 E 8.73 5.19 0.00 1.81 1.82 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 2.20 2.30 0.00 31 K 8.81 4.76 0.00 1.62 1.73 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.51 7.81 32 A 8.64 4.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 4.05 0.00 1.73 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.40 7.81 34 G 9.05 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 0.00 0.00 0.00 35 E 7.76 4.21 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 36 T 8.22 4.96 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 37 A 8.90 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.58 4.73 0.00 2.85 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 39 L 8.18 4.40 0.00 1.06 1.32 0.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.50 0.00 2.06 1.85 0.00 3.72 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 41 C 8.70 5.06 0.00 3.29 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 42 K 8.18 5.29 0.00 1.83 1.70 0.00 1.71 0.00 0.00 1.94 0.00 0.00 3.27 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 43 F 8.54 5.52 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.91 4.72 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 1.19 0.00 0.00 45 L 8.54 5.33 0.00 1.53 1.61 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.18 4.84 0.00 3.87 3.95 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 47 P 0.00 4.35 0.00 2.07 2.16 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 48 E 7.65 4.18 0.00 2.13 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 0.00 2.31 2.28 0.00 49 D 7.76 4.81 0.00 2.86 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 50 Q 8.08 4.35 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 51 G 7.91 3.89 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 0.00 0.00 0.00 52 P 0.00 4.39 0.00 2.21 2.08 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 53 L 8.42 4.22 0.00 1.77 1.80 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.06 4.85 0.00 2.88 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 55 I 9.05 5.03 2.03 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 1.06 0.59 0.93 0.00 0.00 56 E 8.66 5.35 0.00 2.04 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 2.15 2.24 0.00 57 W 9.55 5.22 0.00 3.26 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 9.18 5.21 0.00 1.48 1.49 0.87 0.57 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 59 I 8.92 4.15 1.21 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.11 0.17 0.00 0.00 60 S 8.60 5.17 0.00 3.84 3.72 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 61 P 0.00 4.75 0.00 2.28 2.06 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 62 A 8.92 4.24 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 63 D 8.27 4.38 0.00 2.82 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 64 N 7.80 4.83 0.00 2.77 2.81 0.00 0.00 6.95 7.69 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 65 Q 8.57 4.08 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 66 K 7.75 4.37 0.00 1.90 1.89 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.48 7.81 67 V 7.89 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 0.68 0.00 0.00 0.91 0.00 0.00 68 D 8.47 4.36 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 69 Q 7.93 4.45 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 70 V 8.49 4.20 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 0.72 0.00 0.00 0.83 0.00 0.00 71 I 9.02 4.61 1.87 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 1.37 0.88 0.61 0.00 0.00 72 I 7.71 5.00 1.77 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.41 0.61 0.00 0.00 73 L 9.13 5.48 0.00 2.07 2.03 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.61 5.31 0.00 2.95 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 75 S 8.85 4.65 0.00 4.04 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 9.30 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 0.00 0.00 0.00 77 D 7.68 4.19 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 6.83 4.30 0.00 1.69 1.02 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.16 1.25 7.81 79 I 7.96 4.74 1.93 0.00 0.00 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 1.76 0.64 1.26 0.00 0.00 80 Y 9.06 4.84 0.00 3.33 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 81 D 8.83 4.82 0.00 2.78 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 82 D 7.63 4.66 0.00 2.56 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 83 Y 7.88 4.52 0.00 3.17 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 84 Y 7.95 4.51 0.00 3.25 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.21 0.00 2.14 2.19 0.00 2.89 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 86 D 7.61 4.62 0.00 2.84 2.86 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 87 L 8.03 4.86 0.00 1.79 1.67 0.91 0.90 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 88 K 8.03 4.06 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 89 G 9.01 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 0.00 0.00 0.00 90 R 8.04 4.67 0.00 1.78 2.08 0.00 3.09 0.00 0.00 3.20 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 91 V 7.73 4.98 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 0.55 0.00 0.00 0.95 0.00 0.00 92 H 8.52 5.05 0.00 3.17 3.29 0.00 5.32 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.77 4.67 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.90 4.13 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 1.34 0.00 0.00 95 S 8.08 4.71 0.00 4.13 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 96 N 8.67 4.88 0.00 2.87 2.92 0.00 0.00 5.84 8.06 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 97 D 8.17 4.74 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.19 4.26 0.00 1.19 1.15 0.67 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.86 3.99 0.00 1.91 2.01 0.00 1.64 0.00 0.00 1.98 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.48 7.81 100 S 7.51 4.08 0.00 3.92 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 0.00 101 G 7.63 2.33 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 0.00 102 D 7.78 5.18 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 4.73 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.54 4.77 0.00 4.00 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 0.00 105 I 8.23 5.05 1.38 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.13 0.15 0.00 0.00 106 N 8.42 5.22 0.00 2.90 3.03 0.00 0.00 6.81 7.47 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 0.00 107 V 8.25 4.54 1.90 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 1.01 0.00 0.00 0.61 0.00 0.00 108 T 8.58 4.20 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 1.24 0.00 0.00 109 N 8.44 4.53 0.00 2.84 2.86 0.00 0.00 7.36 7.78 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 0.00 110 L 8.54 4.17 0.00 1.68 1.58 0.89 0.86 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 0.00 111 Q 9.00 5.02 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 112 L 8.33 4.10 0.00 1.73 1.74 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.02 4.47 0.00 4.03 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 0.00 114 D 7.76 4.80 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 0.00 115 I 7.66 4.04 1.91 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 1.27 0.84 1.01 0.00 0.00 116 G 7.61 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 0.00 117 T 7.75 4.46 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 0.00 118 Y 9.47 4.77 0.00 2.89 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 0.00 119 Q 9.59 4.87 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.13 2.38 0.00 120 C 8.89 4.23 0.00 1.23 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 0.00 121 K 8.37 4.68 0.00 1.73 1.52 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.26 7.81 122 V 8.65 4.39 1.69 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 0.09 0.00 0.00 0.28 0.00 0.00 123 K 8.39 4.92 0.00 1.89 1.61 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.27 7.81 124 K 9.22 4.81 0.00 1.77 1.65 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.49 7.81 125 A 8.58 4.43 1.25 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 0.00 126 P 0.00 4.56 0.00 2.17 2.16 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 127 G 8.05 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 0.00 128 V 7.80 4.87 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 0.71 0.00 0.00 0.95 0.00 0.00 129 A 8.63 4.63 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 0.00 130 N 8.48 5.32 0.00 2.59 2.62 0.00 0.00 5.75 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 0.00 131 K 8.62 4.80 0.00 1.77 1.48 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.31 1.48 7.81 132 K 8.78 5.09 0.00 1.75 1.66 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.54 7.81 133 I 9.22 4.99 2.02 0.00 0.00 1.00 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 0.93 0.00 0.00 134 H 9.11 5.04 0.00 3.18 3.33 0.00 5.80 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.71 4.75 0.00 1.66 1.64 0.81 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.54 4.63 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.97 0.00 0.00 137 V 7.97 5.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.01 0.00 0.00