NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8574 8.3393 109.7356 44.7072 0.0000 173.2096 2 S 3.7636 8.4425 114.3964 58.2997 62.6151 172.7504 3 S 4.2351 8.4528 116.1981 57.4156 65.3645 175.9866 4 G 3.9712 8.8544 118.3923 44.6519 0.0000 171.5221 5 S 4.4585 8.6419 117.6763 60.0154 64.9217 176.1568 6 S 3.7814 8.2090 114.6808 58.5521 60.3217 173.1379 7 G 4.0321 7.9600 106.4337 47.3072 0.0000 174.7035 8 N 4.0910 8.0341 115.0776 53.3649 36.2416 174.2377 9 K 4.3241 8.0009 117.6190 54.9513 33.4613 174.9745 10 L 4.5336 8.4581 126.1491 53.0552 42.8952 175.3946 11 A 4.7370 8.1873 125.3024 51.1377 22.4184 174.6849 12 Q 4.4093 8.4439 115.7579 56.3985 30.1851 176.4754 13 K 3.9841 7.9293 116.3113 56.4048 32.7321 175.2997 14 Y 3.8437 8.4172 119.7298 57.8078 38.8750 175.2501 15 D 4.5376 8.2400 128.2286 53.6231 42.0412 177.1808 16 H 4.3916 8.5231 122.3420 58.1212 28.7139 177.4317 17 Q 4.0631 7.8659 121.5897 59.3712 29.1178 178.1410 18 R 3.8803 7.7686 118.6220 59.0448 30.0147 178.1463 19 E 3.5545 7.7542 118.7480 59.5729 29.5731 178.8893 20 Q 4.1581 7.8391 116.6680 58.0252 28.5917 177.7649 21 E 4.3023 8.5548 119.8835 58.2550 29.5925 178.8405 22 L 4.2530 7.8395 119.2562 57.7022 42.1291 178.9562 23 R 4.0871 7.9973 116.0812 59.7989 28.9464 178.5935 24 E 4.0654 7.8518 116.7722 58.3120 29.6601 178.6709 25 W 4.7130 7.7418 128.4742 60.2446 30.9605 178.2678 26 I 3.3258 8.1076 120.0820 64.3816 36.1894 178.1267 27 E 4.3308 7.7344 120.9162 58.5134 29.0064 179.6469 28 G 3.7552 7.9178 104.4410 47.6702 0.0000 175.3137 29 V 3.6094 7.9922 120.4503 66.5629 31.4691 178.0334 30 T 4.0538 7.8991 110.2479 64.9619 68.8870 175.6929 31 G 4.2586 7.9057 110.3191 44.8224 0.0000 173.0612 32 R 4.5831 7.9339 117.9941 54.0236 32.6542 176.2428 33 R 4.8369 8.0389 120.6533 54.1111 28.6985 176.7533 34 I 3.4333 8.0304 124.2462 62.2364 37.4728 177.5310 35 G 3.8986 7.2859 106.1793 44.3065 0.0000 172.6844 36 N 3.9943 8.3531 114.3298 56.9547 38.9191 174.9401 37 N 4.3320 8.0118 123.4708 53.6267 38.1632 175.5293 38 F 4.0656 8.6965 125.8351 61.6536 39.8233 175.7159 39 M 4.0696 8.1054 118.5273 56.7085 31.8626 177.4351 40 D 4.3631 7.9555 117.4001 57.9182 41.3221 179.5822 41 G 3.6083 7.6935 105.8586 46.7142 0.0000 174.8333 42 L 4.1042 7.7977 119.0877 54.9949 42.0448 178.3662 43 K 3.9524 7.3829 119.9525 59.8202 31.8840 177.3521 44 D 4.3828 7.8745 118.2830 54.8829 39.7083 178.7039 45 G 3.9354 8.7053 108.5465 45.6326 0.0000 174.9986 46 I 3.6719 7.4115 120.5694 64.0693 37.0901 177.8247 47 I 3.5724 7.6396 119.9791 64.7029 37.0317 178.2819 48 L 3.3828 7.4802 118.9474 57.7888 41.3675 178.8093 49 C 4.2743 7.7938 116.2395 63.3307 28.1163 176.3659 50 E 4.0050 8.3383 119.8523 59.2854 28.4981 178.5878 51 F 4.1865 8.2610 120.7914 61.8314 39.3595 177.1011 52 I 3.4783 8.2250 117.4640 63.5836 37.5534 177.7243 53 N 4.4970 7.4856 119.0317 56.1237 38.9217 176.7237 54 K 4.0606 8.1953 119.0916 59.2102 32.0977 178.9898 55 L 4.2579 7.1635 117.4668 55.4667 42.1077 176.9930 56 Q 4.5829 7.6999 120.6453 53.2202 30.8557 172.8830 57 P 4.4872 0.0000 0.0000 64.1600 29.5169 174.6988 58 G 3.4346 8.9969 113.4152 45.3640 0.0000 172.7707 59 S 3.8577 7.6417 116.8188 60.9398 63.3232 174.1468 60 V 4.2331 7.3347 125.7620 60.8604 31.3903 175.3182 61 K 3.6308 8.1629 127.7039 59.3191 32.4856 175.5419 62 K 4.7252 7.6008 120.2093 54.4141 35.6917 175.6494 63 I 4.7383 8.1025 123.4705 59.4965 40.2213 174.8016 64 N 4.7065 8.9175 121.6356 52.2219 39.4136 175.1711 65 E 4.4598 8.5013 122.1902 54.6869 30.4546 174.5841 66 S 4.4662 7.8011 116.9359 57.5761 65.6510 173.3278 67 T 4.3765 8.3393 113.7729 61.8854 66.9730 174.0219 68 Q 4.5380 7.8400 119.3267 55.7656 30.7107 175.4394 69 N 4.8877 8.2789 115.4929 54.7014 39.1217 177.4432 70 W 4.4734 7.2288 120.0510 60.3332 29.2585 178.1313 71 H 4.3401 8.4327 114.3237 58.8781 28.2461 177.2924 72 Q 4.0131 7.6096 122.3167 57.8388 28.5107 179.1063 73 L 3.5067 7.3898 119.2226 57.5575 41.5071 178.5702 74 E 3.8748 7.3971 116.7141 59.9932 29.7127 178.1785 75 N 4.3454 8.0487 115.5551 56.7978 38.6494 176.9988 76 I 3.9042 7.8940 120.7599 64.8246 36.8065 178.7327 77 G 3.6477 8.0137 106.2407 47.9020 0.0000 175.6034 78 N 4.4153 8.3634 119.1705 56.2818 38.5660 176.7995 79 F 4.1635 8.4399 121.7047 60.8962 39.2785 176.7566 80 I 3.1547 8.0908 120.1087 64.5790 37.5364 178.1417 81 K 4.1161 7.9947 119.3115 58.5103 31.9802 179.3116 82 A 3.9679 8.1891 121.8450 55.0765 17.8884 179.6524 83 I 3.6757 7.7378 111.3955 63.7457 37.5631 178.5963 84 T 4.3091 7.3596 119.2650 65.8530 67.9856 176.8098 85 K 4.0612 7.8564 119.1301 59.8718 32.4713 177.8295 86 Y 4.1719 7.6019 118.4096 58.5823 38.7200 177.7574 87 G 4.4000 7.1493 111.5367 46.1295 0.0000 173.2564 88 V 4.3053 7.1033 118.9483 60.1335 34.1156 174.8351 89 K 4.1574 8.4960 127.0773 55.8985 32.4213 176.3012 90 P 4.3782 0.0000 0.0000 64.9767 31.4970 176.8345 91 H 4.5760 7.9384 113.3028 56.7751 29.3034 175.3103 92 D 4.9818 8.0216 119.7279 53.9736 41.6566 174.9710 93 I 4.7764 7.7431 118.9864 58.5559 39.2406 175.5112 94 F 4.7354 7.9641 118.6261 56.2528 39.5598 174.6266 95 E 4.6632 8.7822 119.8426 54.7172 31.3662 177.2479 96 A 4.2334 8.6687 122.3608 55.7721 18.3075 179.9508 97 N 4.5004 8.2608 114.4210 56.2373 38.8821 177.0819 98 D 4.4260 8.0671 120.1963 57.2794 40.4366 178.4923 99 L 3.9567 7.8155 119.6758 57.4257 42.2241 178.1551 100 F 4.3041 8.3022 119.6871 61.3587 39.8436 175.6362 101 E 4.0889 8.8199 116.5917 55.6113 29.1961 176.6586 102 N 4.9425 7.6734 113.8777 52.6746 36.9481 176.2162 103 T 3.7337 7.5691 114.4385 65.1404 67.6150 173.8611 104 N 4.8642 7.5988 119.4214 52.0696 42.2598 173.6865 105 H 4.6713 9.0209 123.0869 58.4136 29.5209 177.4278 106 T 4.1504 8.0362 111.1242 65.2140 68.5539 175.5860 107 Q 4.0610 8.5440 122.0235 59.1071 28.7683 178.7598 108 V 3.9498 7.7580 118.5650 65.8090 31.6130 177.5236 109 Q 4.1037 8.3072 119.3240 59.5495 28.5842 178.1982 110 S 4.1697 8.4831 116.4163 62.2338 62.7705 176.9927 111 T 4.7276 7.6937 117.9967 66.2567 68.2963 176.6081 112 L 4.3232 8.0309 120.7173 58.0099 41.5145 179.2398 113 L 4.0291 8.0836 117.6177 58.1102 41.8403 179.4001 114 A 4.2194 7.9528 119.8451 54.8299 18.5135 179.0063 115 L 4.0318 7.8936 118.3424 58.7035 42.1052 178.8347 116 A 3.5012 8.5128 120.3734 55.5884 17.8413 179.6609 117 S 4.0816 8.1425 111.1149 61.6049 60.9486 176.2503 118 M 4.1503 8.5084 121.6873 57.8547 31.7048 178.1193 119 A 4.7251 7.8965 121.4755 53.4259 19.0871 179.3235 120 K 3.8096 7.9033 117.5543 59.7990 31.9363 178.9238 121 T 3.8130 7.3757 112.0808 65.4111 67.2960 175.5222 122 K 4.0940 7.2428 118.5526 60.4679 32.5396 177.2854 123 G 3.3807 6.8987 105.8060 45.8634 0.0000 173.0936 124 N 4.8650 7.9074 117.2255 51.3042 41.0044 176.0725 125 K 4.2917 8.3127 119.4594 55.0795 31.1182 175.4884 126 V 3.7159 7.7212 122.2742 60.7962 33.2188 175.8143 127 N 4.9288 8.1776 124.6183 53.0921 39.2314 174.6525 128 V 4.3066 7.3479 117.1906 60.8997 34.0334 176.6860 129 G 3.8561 8.4601 117.4027 45.1590 0.0000 172.6473 130 V 4.2512 7.3590 117.2071 61.3201 33.9822 174.5793 131 S 4.5212 8.6064 123.4693 57.4441 64.9561 175.3937 132 G 3.8396 8.7663 115.1475 44.4581 0.0000 172.3144 133 P 4.3768 0.0000 0.0000 62.7171 28.8930 174.3629 134 S 4.3022 8.1421 119.3814 58.0790 61.7005 173.8890 135 S 4.5719 9.6304 124.7343 58.5550 63.7416 174.8547 136 G 3.5845 8.6312 113.1619 45.7689 0.0000 170.6882 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 G 8.34 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 0.00 0.00 0.00 2 S 8.44 3.76 0.00 4.07 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 3 S 8.45 4.24 0.00 3.88 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 4 G 8.85 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 0.00 0.00 0.00 5 S 8.64 4.46 0.00 3.94 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 6 S 8.21 3.78 0.00 4.01 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 7 G 7.96 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 8 N 8.03 4.09 0.00 2.82 2.87 0.00 0.00 6.76 7.61 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 9 K 8.00 4.32 0.00 1.70 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.44 7.81 10 L 8.46 4.53 0.00 1.65 1.57 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.19 4.74 1.19 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 0.00 0.00 12 Q 8.44 4.41 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 13 K 7.93 3.98 0.00 1.87 1.89 0.00 1.45 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.50 7.81 14 Y 8.42 3.84 0.00 2.89 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 15 D 8.24 4.54 0.00 2.52 2.46 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 0.00 0.00 0.00 0.00 16 H 8.52 4.39 0.00 3.12 3.35 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.87 4.06 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 18 R 7.77 3.88 0.00 1.67 1.88 0.00 3.34 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 19 E 7.75 3.55 0.00 1.87 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 1.59 2.54 0.00 20 Q 7.84 4.16 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 21 E 8.55 4.30 0.00 2.05 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 2.50 2.48 0.00 22 L 7.84 4.25 0.00 1.82 1.96 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.00 4.09 0.00 2.16 2.64 0.00 2.88 0.00 0.00 3.43 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.99 0.00 24 E 7.85 4.07 0.00 2.26 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 0.00 2.41 2.59 0.00 25 W 7.74 4.71 0.00 3.36 3.51 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 26 I 8.11 3.33 1.50 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.55 0.33 0.00 0.00 27 E 7.73 4.33 0.00 2.13 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 2.40 2.37 0.00 28 G 7.92 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 29 V 7.99 3.61 2.14 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 0.96 0.00 0.00 1.17 0.00 0.00 30 T 7.90 4.05 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 1.36 0.00 0.00 31 G 7.91 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 0.00 0.00 0.00 0.00 32 R 7.93 4.58 0.00 1.73 1.74 0.00 3.25 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 33 R 8.04 4.84 0.00 1.81 1.86 0.00 3.58 0.00 0.00 3.47 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 34 I 8.03 3.43 1.93 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.48 0.65 0.00 0.00 35 G 7.29 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.35 3.99 0.00 2.70 2.87 0.00 0.00 6.90 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.01 4.33 0.00 2.77 2.78 0.00 0.00 6.51 8.11 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 38 F 8.70 4.07 0.00 3.21 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 39 M 8.11 4.07 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.42 0.00 40 D 7.96 4.36 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.69 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 0.00 0.00 0.00 42 L 7.80 4.10 0.00 1.34 1.34 -0.16 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.38 3.95 0.00 1.74 1.87 0.00 1.70 0.00 0.00 1.43 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.54 7.81 44 D 7.87 4.38 0.00 2.92 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 45 G 8.71 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 46 I 7.41 3.67 1.83 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 1.91 0.91 0.96 0.00 0.00 47 I 7.64 3.57 1.62 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.57 0.62 0.00 0.00 48 L 7.48 3.38 0.00 1.50 0.27 0.20 0.68 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 49 C 7.79 4.27 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 50 E 8.34 4.01 0.00 1.99 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 2.33 2.45 0.00 51 F 8.26 4.19 0.00 3.09 3.17 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 52 I 8.23 3.48 1.91 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 1.19 0.91 1.14 0.00 0.00 53 N 7.49 4.50 0.00 2.99 2.95 0.00 0.00 7.23 6.65 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 54 K 8.20 4.06 0.00 1.76 1.83 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.63 7.81 55 L 7.16 4.26 0.00 1.19 1.41 0.34 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.70 4.58 0.00 2.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 57 P 0.00 4.49 0.00 2.23 2.11 0.00 3.86 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 2.01 1.99 0.00 58 G 9.00 3.43 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 0.00 59 S 7.64 3.86 0.00 3.93 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 60 V 7.33 4.23 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 0.94 0.00 0.00 1.04 0.00 0.00 61 K 8.16 3.63 0.00 1.74 1.77 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.54 7.81 62 K 7.60 4.73 0.00 1.70 1.62 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.42 7.81 63 I 8.10 4.74 1.88 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 1.45 0.82 1.08 0.00 0.00 64 N 8.92 4.71 0.00 2.83 2.76 0.00 0.00 6.84 7.26 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 65 E 8.50 4.46 0.00 1.88 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 2.19 2.18 0.00 66 S 7.80 4.47 0.00 3.60 3.44 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 67 T 8.34 4.38 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 1.24 0.00 0.00 68 Q 7.84 4.54 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.72 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 69 N 8.28 4.89 0.00 2.28 2.91 0.00 0.00 7.02 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 70 W 7.23 4.47 0.00 3.41 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.43 4.34 0.00 3.39 3.66 0.00 5.47 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 72 Q 7.61 4.01 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.40 1.89 0.00 73 L 7.39 3.51 0.00 1.61 1.43 0.71 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.40 3.87 0.00 2.01 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 2.35 2.39 0.00 75 N 8.05 4.35 0.00 3.01 2.99 0.00 0.00 7.08 7.42 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 76 I 7.89 3.90 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.00 1.20 0.00 0.00 77 G 8.01 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.36 4.42 0.00 2.87 2.91 0.00 0.00 6.71 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.44 4.16 0.00 3.23 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.09 3.15 1.81 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 0.80 0.99 0.76 0.00 0.00 81 K 7.99 4.12 0.00 2.03 1.80 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.40 7.81 82 A 8.19 3.97 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 83 I 7.74 3.68 1.62 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 -0.12 0.00 0.00 84 T 7.36 4.31 4.32 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 1.16 0.00 0.00 85 K 7.86 4.06 0.00 1.73 1.86 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 86 Y 7.60 4.17 0.00 3.01 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 87 G 7.15 4.40 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 0.00 88 V 7.10 4.31 2.20 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 1.08 0.00 0.00 1.07 0.00 0.00 89 K 8.50 4.16 0.00 1.65 1.46 0.00 1.59 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.51 7.81 90 P 0.00 4.38 0.00 2.16 2.14 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 91 H 7.94 4.58 0.00 3.29 3.48 0.00 5.46 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.02 4.98 0.00 2.60 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 93 I 7.74 4.78 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.69 0.52 0.00 0.00 94 F 7.96 4.74 0.00 3.19 3.28 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 0.00 0.00 0.00 0.00 95 E 8.78 4.66 0.00 2.37 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 2.38 2.36 0.00 96 A 8.67 4.23 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 97 N 8.26 4.50 0.00 2.83 2.96 0.00 0.00 7.21 8.14 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 98 D 8.07 4.43 0.00 3.30 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 99 L 7.82 3.96 0.00 1.29 1.60 0.59 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.30 4.30 0.00 3.08 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 0.00 101 E 8.82 4.09 0.00 2.25 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 102 N 7.67 4.94 0.00 3.01 2.97 0.00 0.00 6.71 7.03 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 0.00 103 T 7.57 3.73 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 1.31 0.00 0.00 104 N 7.60 4.86 0.00 2.59 2.83 0.00 0.00 7.20 7.83 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 0.00 105 H 9.02 4.67 0.00 2.97 2.94 0.00 5.71 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.04 4.15 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 1.41 0.00 0.00 107 Q 8.54 4.06 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.08 0.00 0.00 0.00 0.00 0.00 2.64 2.71 0.00 108 V 7.76 3.95 2.24 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 0.80 0.00 0.00 0.41 0.00 0.00 109 Q 8.31 4.10 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 5.68 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 110 S 8.48 4.17 0.00 3.98 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 0.00 111 T 7.69 4.73 4.92 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 1.38 0.00 0.00 112 L 8.03 4.32 0.00 1.99 2.05 1.15 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.08 4.03 0.00 1.88 1.82 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.95 4.22 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 0.00 115 L 7.89 4.03 0.00 2.06 2.31 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.51 3.50 1.10 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 0.00 117 S 8.14 4.08 0.00 3.94 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 0.00 118 M 8.51 4.15 0.00 2.29 2.56 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.95 0.00 119 A 7.90 4.73 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 0.00 120 K 7.90 3.81 0.00 1.97 1.82 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.45 7.81 121 T 7.38 3.81 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 1.24 0.00 0.00 122 K 7.24 4.09 0.00 2.09 1.93 0.00 1.56 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.51 1.49 7.81 123 G 6.90 3.38 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 0.00 124 N 7.91 4.87 0.00 2.94 2.85 0.00 0.00 7.11 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.31 4.29 0.00 1.80 1.81 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.44 7.81 126 V 7.72 3.72 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.41 0.00 0.00 127 N 8.18 4.93 0.00 2.75 2.79 0.00 0.00 6.80 7.70 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 0.00 128 V 7.35 4.31 1.88 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 0.78 0.00 0.00 1.01 0.00 0.00 129 G 8.46 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 0.00 0.00 0.00 130 V 7.36 4.25 2.04 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 1.03 0.00 0.00 0.96 0.00 0.00 131 S 8.61 4.52 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 0.00 132 G 8.77 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 0.00 133 P 0.00 4.38 0.00 2.20 2.13 0.00 3.76 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 1.99 1.95 0.00 134 S 8.14 4.30 0.00 3.85 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 0.00 135 S 9.63 4.57 0.00 3.86 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 0.00 136 G 8.63 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00