NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4722 8.3044 120.3259 55.8729 33.5612 174.6289 2 T 4.3013 7.8426 114.2683 60.1363 69.6231 170.5783 3 T 4.6985 8.9164 110.1948 60.5438 72.7586 172.2466 4 I 4.5302 7.9257 122.0194 59.0854 39.6012 175.3442 5 N 4.4108 9.3528 125.4914 52.4670 39.3669 172.9073 6 P 4.2159 0.0000 0.0000 63.3865 31.9366 175.6806 7 T 4.1161 8.1682 119.2861 62.4689 69.4409 175.5927 8 N 4.5678 8.1756 125.5954 52.7526 37.8481 174.5839 9 Y 4.2172 7.9633 124.2113 60.4778 38.0600 177.5723 10 T 3.9994 7.9409 116.5538 66.5832 68.6092 176.1561 11 L 3.9638 7.8192 121.5831 58.0017 42.1958 178.2944 12 L 3.9603 7.9754 120.3029 58.3768 41.9831 179.1880 13 K 4.0551 8.4504 118.5027 59.2656 31.9610 179.3327 14 K 3.9729 7.8662 119.9459 59.6734 32.0970 179.0457 15 Q 4.1637 8.8725 119.8995 58.0951 28.4368 178.5894 16 A 3.9668 8.4757 122.2720 55.0240 18.2388 179.4955 17 A 3.9556 7.7624 118.3599 55.4128 18.6183 179.7677 18 S 4.2069 8.2075 112.8284 61.3144 62.8955 176.2843 19 L 4.0003 8.0497 123.6757 57.2038 42.1071 178.1574 20 I 4.3397 7.2845 110.2196 59.4032 37.9038 174.6757 21 E 4.0743 7.1957 121.7148 58.3402 29.7142 176.2835 22 D 4.4699 8.8293 123.4710 55.0304 38.5189 173.0353 23 E 4.7636 7.8965 117.6826 55.1080 31.8159 175.7977 24 H 4.8957 8.4186 115.3329 54.5799 31.4935 173.6355 25 H 4.1774 8.1802 119.6022 55.9986 30.3262 174.7633 26 M 3.8804 8.4483 128.3907 58.9957 32.1158 178.0419 27 I 3.6845 7.4469 119.0521 64.1597 37.3062 178.1683 28 A 3.9801 8.1223 121.1903 55.1242 18.2365 179.5268 29 I 3.5998 7.8475 118.3078 64.6502 37.2516 178.7278 30 L 3.5176 8.1414 120.0818 57.5795 41.0295 179.8744 31 S 4.1056 8.2338 115.2809 61.8540 62.8227 176.5995 32 N 4.3724 8.2642 119.0617 56.4685 38.1666 177.5218 33 M 4.1834 8.4613 120.7927 58.1357 32.0498 178.8718 34 S 4.0745 8.4575 114.5383 61.3191 63.0380 176.5578 35 A 3.9083 7.7415 124.1863 54.6361 17.9265 179.2718 36 L 3.8704 7.8192 117.7885 58.3817 42.5553 178.9528 37 L 4.1424 8.1216 118.9696 57.8437 41.3450 178.9868 38 N 4.2972 7.9760 115.8728 56.7237 38.9672 176.1380 39 D 4.5881 8.2443 118.5036 55.6212 41.1220 176.5564 40 N 4.9218 7.7695 114.4927 52.3605 39.9746 173.7995 41 L 4.5993 7.7312 118.6284 52.7957 43.9596 175.8922 42 D 4.5498 8.5605 123.0194 53.8677 42.6341 175.0197 43 Q 3.4478 8.4882 118.6438 57.3106 26.1260 173.6234 44 I 4.7404 7.4405 108.1243 59.1764 41.0284 174.5368 45 N 4.9335 9.2882 120.1691 54.5743 40.9330 174.7354 46 W 5.3476 8.1575 126.0287 56.1721 35.0392 173.9863 47 V 4.7369 7.5496 125.1804 60.4024 34.5791 174.8153 48 G 3.3777 7.5379 111.1860 45.5045 0.0000 171.4295 49 F 5.6134 8.2587 116.8198 55.9693 43.5001 173.9559 50 Y 5.0552 8.9484 117.3798 56.3228 41.6917 174.6125 51 L 5.0924 9.1703 123.0807 52.8392 44.8313 175.4535 52 L 4.7352 8.5905 126.0356 54.6415 42.5856 176.1280 53 E 4.6269 9.2971 126.0562 56.2286 33.8579 175.5181 54 Q 3.3985 9.3790 121.5652 57.6199 26.2435 173.0706 55 N 4.2523 8.3561 107.7354 53.5954 36.5772 173.8605 56 E 4.7383 7.7885 113.9545 55.6316 34.0309 173.2822 57 L 5.0970 8.8348 120.3143 53.4836 43.8216 175.9967 58 I 5.0327 9.0204 124.5868 58.9045 40.1964 174.8833 59 L 3.6296 8.6498 129.0624 56.1116 42.4500 176.4903 60 G 4.4410 8.2763 112.7671 44.0039 0.0000 170.0812 61 P 4.5698 0.0000 0.0000 63.6295 32.3118 175.5864 62 F 4.7729 7.7640 115.8114 56.1840 40.7351 172.9217 63 Q 4.1880 10.0006 119.3641 53.4725 30.9091 176.1549 64 G 3.8978 8.0695 112.0986 45.5090 0.0000 171.7649 65 H 4.9594 8.5305 118.4680 53.9869 30.1199 173.2570 66 P 4.5413 0.0000 0.0000 63.4391 31.6206 175.5874 67 A 4.6485 8.0455 123.0762 49.5504 22.2678 175.5390 68 C 4.2055 8.2570 114.3968 58.7019 30.4383 174.1674 69 V 3.8485 8.6310 123.5260 66.0006 32.2986 174.9626 70 H 5.4113 8.1698 116.0678 54.2389 30.4413 174.3998 71 I 4.4568 8.4715 123.5969 58.6670 40.3027 173.3837 72 P 4.6459 0.0000 0.0000 62.0002 32.5258 176.4179 73 I 3.8162 8.2992 124.4147 62.9437 37.4996 176.8040 74 G 3.9521 8.8223 111.6191 45.4015 0.0000 173.0739 75 K 4.3763 7.9141 120.2174 55.2509 34.1326 177.4238 76 G 3.9144 8.8159 111.9596 44.9232 0.0000 174.3123 77 V 2.7816 7.7167 116.7971 65.9239 31.0139 177.6089 78 C 4.0678 7.7226 115.7657 62.8605 28.0607 176.1991 79 G 3.6970 7.7682 108.0030 47.6125 0.0000 175.6222 80 T 4.5623 8.6089 119.2012 65.6455 68.5573 176.7660 81 A 4.1723 7.7819 122.7818 54.9668 18.4638 179.9325 82 V 3.4875 7.4526 116.9819 66.1013 31.7360 178.3550 83 S 4.1397 8.1298 113.4247 61.4818 62.8005 176.0346 84 E 4.1191 8.5369 118.8316 56.1327 29.7102 176.3167 85 R 3.9512 7.5359 117.8487 56.4466 29.0613 175.3518 86 R 4.8225 7.8310 113.5946 54.8757 33.7412 174.8674 87 T 4.2351 8.7281 121.3026 64.4438 69.4099 173.2863 88 Q 4.6586 9.2188 124.3058 54.0500 31.8816 174.6479 89 V 4.6069 8.5817 123.7660 61.2250 33.8525 174.7672 90 V 4.4009 8.9989 129.4773 61.0834 32.9226 176.1090 91 A 4.1168 8.8192 130.9359 54.4806 19.9975 176.1308 92 D 4.9225 7.9610 114.7602 52.9325 42.7080 175.7568 93 V 3.6016 8.7691 122.4220 64.6326 31.6756 178.6699 94 H 4.3130 7.8841 115.7398 57.8993 28.5311 176.0217 95 Q 4.3688 7.8949 117.0760 55.8360 29.3800 175.6332 96 F 4.1780 8.0789 122.1809 56.7628 40.1231 174.4379 97 K 3.7985 7.7227 128.4814 58.1921 32.0166 176.6880 98 G 3.9021 8.9505 113.6167 45.7014 0.0000 172.5290 99 H 4.1076 8.0456 119.3953 56.8338 30.2396 175.1220 100 I 3.6465 8.2894 127.5454 64.2608 37.7871 175.0886 101 A 3.3665 7.3946 119.1978 52.4898 14.1664 177.0290 102 C 4.3132 7.6129 114.3343 57.4741 31.7586 174.0593 103 D 4.7100 7.7146 120.4415 52.0140 41.5896 176.3172 104 A 4.1289 8.7353 130.4360 54.5786 18.6359 177.4067 105 N 4.8321 8.9738 113.1586 52.9887 38.9660 174.1618 106 S 4.8235 7.8804 114.3903 57.0550 62.1695 173.0085 107 K 4.6597 9.3725 128.4873 56.9217 34.9111 176.6146 108 S 5.1593 7.8429 112.2749 56.8731 67.0459 172.6422 109 E 5.3113 9.2517 120.5337 55.4713 33.6805 173.4934 110 I 4.9629 8.5294 123.5349 59.2450 41.9404 173.9559 111 V 4.7825 8.8824 128.5491 61.1749 34.7233 173.9283 112 V 4.6591 8.4440 128.0851 60.4086 33.6514 173.1904 113 P 4.5540 0.0000 0.0000 62.5104 32.3424 175.5825 114 I 4.5625 8.5326 124.2370 59.6475 39.4834 174.8724 115 F 5.4637 10.1405 126.7130 55.8864 42.0399 175.5765 116 K 4.4126 9.2447 121.9971 56.4936 35.1628 175.9522 117 D 4.2690 9.4219 127.0825 56.2517 38.1856 173.3144 118 D 4.4739 8.4242 111.9933 54.9337 39.0845 174.0287 119 K 4.8149 7.8603 117.2664 54.3401 35.4061 175.7887 120 I 4.0867 8.4878 123.5683 61.4133 37.4267 175.8775 121 I 4.2318 8.5639 119.1108 60.6015 39.7202 175.4467 122 G 4.1666 7.0079 107.7241 46.8147 0.0000 171.9077 123 V 5.0690 8.2440 111.6113 59.6536 36.6583 174.4106 124 L 4.7557 9.1272 126.0238 53.6863 44.0502 174.6219 125 D 5.3418 9.1253 125.9190 52.5670 44.4662 174.2515 126 I 5.3950 8.7584 126.2104 59.6374 40.9946 174.2193 127 D 5.7794 9.4921 125.7387 51.6098 43.1744 174.5593 128 A 5.3052 9.2457 120.3337 49.5410 22.8343 175.1300 129 P 4.8275 0.0000 0.0000 62.6049 31.8305 175.9859 130 I 4.6587 7.1853 111.6524 59.0648 40.5566 175.0572 131 T 4.2224 8.2697 111.2452 61.7921 69.7642 173.1841 132 D 4.3612 8.7605 119.4456 55.3032 40.2824 175.0798 133 R 3.7531 7.7600 118.8577 58.1533 30.4459 176.1901 134 F 5.0235 7.8329 116.3367 55.8547 40.6282 175.3000 135 D 5.0354 8.8276 126.0347 51.6613 43.1078 176.6714 136 D 4.4077 8.5902 117.8848 57.5946 40.6025 178.6110 137 N 4.2791 8.2473 117.1263 56.7236 39.0935 176.4966 138 D 4.4046 8.6293 121.7334 56.6592 41.0031 178.5514 139 K 3.8168 8.1298 120.0537 59.4879 32.2352 178.2713 140 E 3.8145 8.1122 119.2826 59.8360 29.6140 178.6304 141 H 4.1463 7.7774 115.9062 58.4217 28.5357 177.8608 142 L 4.0669 8.1480 121.5578 57.6528 41.5116 179.2503 143 E 3.9820 8.3359 118.4964 59.2229 29.3652 179.2125 144 A 4.0508 7.8711 120.8450 55.1141 18.5086 179.8007 145 I 3.7641 7.8881 118.5577 64.4752 37.0863 178.7764 146 V 3.7288 8.0327 119.2942 65.9682 31.3127 178.3002 147 K 4.0531 8.0543 118.2111 59.3568 31.6245 179.3815 148 I 3.7687 7.3855 119.1139 64.2553 37.3540 178.3042 149 I 3.8820 7.6225 120.3203 64.4695 36.9980 178.2493 150 E 4.0410 8.4498 119.6779 59.4109 29.0057 179.6111 151 K 4.0103 8.0518 117.8430 59.4212 32.1418 178.8825 152 Q 4.2195 7.8397 116.7920 58.0276 28.8706 177.7156 153 L 4.2462 7.7783 118.2473 56.2680 42.0675 176.4467 154 A 4.1835 7.9490 126.0574 52.5857 18.3176 176.9777 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 8.30 4.47 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 T 7.84 4.30 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 1.19 0.00 0.00 3 T 8.92 4.70 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 4 I 7.93 4.53 1.84 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 1.23 0.63 0.86 0.00 0.00 5 N 9.35 4.41 0.00 2.59 2.69 0.00 0.00 7.28 7.48 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 6 P 0.00 4.22 0.00 2.05 1.97 0.00 3.69 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 2.02 2.11 0.00 7 T 8.17 4.12 3.68 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 0.00 0.00 0.02 0.00 0.00 8 N 8.18 4.57 0.00 2.73 2.64 0.00 0.00 7.21 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 9 Y 7.96 4.22 0.00 2.83 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 10 T 7.94 4.00 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 11 L 7.82 3.96 0.00 1.81 1.85 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.98 3.96 0.00 1.90 1.89 0.94 0.53 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 13 K 8.45 4.06 0.00 1.96 1.89 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.70 7.81 14 K 7.87 3.97 0.00 1.82 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 15 Q 8.87 4.16 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 16 A 8.48 3.97 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 17 A 7.76 3.96 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 18 S 8.21 4.21 0.00 4.08 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 19 L 8.05 4.00 0.00 1.96 1.83 0.92 1.16 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 20 I 7.28 4.34 1.83 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 1.64 0.68 0.89 0.00 0.00 21 E 7.20 4.07 0.00 2.11 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 0.00 2.32 2.29 0.00 22 D 8.83 4.47 0.00 2.85 2.74 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 23 E 7.90 4.76 0.00 2.06 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 0.00 2.36 2.35 0.00 24 H 8.42 4.90 0.00 3.06 3.26 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.18 4.18 0.00 3.24 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.45 3.88 0.00 2.00 1.96 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 2.53 2.51 0.00 27 I 7.45 3.68 1.88 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 1.49 0.71 0.91 0.00 0.00 28 A 8.12 3.98 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 29 I 7.85 3.60 1.99 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 1.48 0.71 0.80 0.00 0.00 30 L 8.14 3.52 0.00 1.45 1.36 0.65 -0.28 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 31 S 8.23 4.11 0.00 3.97 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 32 N 8.26 4.37 0.00 2.85 2.86 0.00 0.00 7.11 7.24 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 33 M 8.46 4.18 0.00 2.24 2.30 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 2.65 2.81 0.00 34 S 8.46 4.07 0.00 3.92 4.30 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 35 A 7.74 3.91 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 36 L 7.82 3.87 0.00 1.73 1.87 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.12 4.14 0.00 1.70 1.70 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.98 4.30 0.00 2.76 2.93 0.00 0.00 7.32 7.75 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 39 D 8.24 4.59 0.00 2.83 2.68 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 0.00 0.00 0.00 40 N 7.77 4.92 0.00 2.76 2.71 0.00 0.00 6.76 7.74 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 41 L 7.73 4.60 0.00 1.68 1.62 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.56 4.55 0.00 2.58 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.49 3.45 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 I 7.44 4.74 2.01 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 1.48 0.71 1.13 0.00 0.00 45 N 9.29 4.93 0.00 2.81 3.24 0.00 0.00 6.87 8.51 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 46 W 8.16 5.35 0.00 3.47 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 47 V 7.55 4.74 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 0.64 0.00 0.00 0.74 0.00 0.00 48 G 7.54 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 49 F 8.26 5.61 0.00 2.90 2.92 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 50 Y 8.95 5.06 0.00 3.03 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 51 L 9.17 5.09 0.00 1.56 1.56 0.96 0.49 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 52 L 8.59 4.74 0.00 1.65 1.59 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.30 4.63 0.00 2.02 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 0.00 2.24 2.30 0.00 54 Q 9.38 3.40 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 55 N 8.36 4.25 0.00 2.87 2.90 0.00 0.00 6.98 7.66 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 56 E 7.79 4.74 0.00 1.98 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 0.00 2.46 2.34 0.00 57 L 8.83 5.10 0.00 1.66 1.66 0.77 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.02 5.03 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.99 0.91 0.00 0.00 59 L 8.65 3.63 0.00 1.66 1.61 0.61 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.28 4.44 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 0.00 61 P 0.00 4.57 0.00 2.16 1.98 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 62 F 7.76 4.77 0.00 1.66 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 63 Q 10.00 4.19 0.00 1.71 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.09 2.37 0.00 64 G 8.07 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 65 H 8.53 4.96 0.00 3.34 3.35 0.00 5.75 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 66 P 0.00 4.54 0.00 2.13 2.15 0.00 3.78 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 2.15 2.30 0.00 67 A 8.05 4.65 0.69 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 0.00 0.00 68 C 8.26 4.21 0.00 3.06 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 69 V 8.63 3.85 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 0.79 0.00 0.00 0.97 0.00 0.00 70 H 8.17 5.41 0.00 3.05 3.43 0.00 5.89 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.47 4.46 1.61 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.62 0.71 0.00 0.00 72 P 0.00 4.65 0.00 2.05 1.95 0.00 3.56 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 2.09 2.10 0.00 73 I 8.30 3.82 1.87 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 1.50 0.74 0.91 0.00 0.00 74 G 8.82 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 0.00 0.00 0.00 75 K 7.91 4.38 0.00 1.87 1.69 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.47 7.81 76 G 8.82 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 77 V 7.72 2.78 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 0.72 0.00 0.00 0.04 0.00 0.00 78 C 7.72 4.07 0.00 2.65 2.64 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 0.00 0.00 0.00 0.00 79 G 7.77 3.70 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 0.00 0.00 0.00 80 T 8.61 4.56 4.62 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 1.39 0.00 0.00 81 A 7.78 4.17 1.37 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 0.00 0.00 0.00 82 V 7.45 3.49 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 1.03 0.00 0.00 0.93 0.00 0.00 83 S 8.13 4.14 0.00 4.06 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 0.00 84 E 8.54 4.12 0.00 2.11 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 2.36 2.35 0.00 85 R 7.54 3.95 0.00 2.04 2.04 0.00 3.40 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 86 R 7.83 4.82 0.00 2.09 1.77 0.00 3.36 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 87 T 8.73 4.24 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 1.22 0.00 0.00 88 Q 9.22 4.66 0.00 1.84 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 89 V 8.58 4.61 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 0.89 0.00 0.00 0.95 0.00 0.00 90 V 9.00 4.40 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 1.07 0.00 0.00 0.86 0.00 0.00 91 A 8.82 4.12 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 92 D 7.96 4.92 0.00 2.69 2.55 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 93 V 8.77 3.60 1.66 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 0.64 0.00 0.00 0.78 0.00 0.00 94 H 7.88 4.31 0.00 3.20 3.41 0.00 5.84 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.89 4.37 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 96 F 8.08 4.18 0.00 3.04 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 97 K 7.72 3.80 0.00 1.41 1.45 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.45 7.81 98 G 8.95 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 99 H 8.05 4.11 0.00 3.42 3.33 0.00 5.95 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 0.00 100 I 8.29 3.65 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.85 0.00 0.00 101 A 7.39 3.37 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 0.00 102 C 7.61 4.31 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.71 4.71 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.74 4.13 1.31 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 0.00 0.00 105 N 8.97 4.83 0.00 2.80 2.83 0.00 0.00 6.34 7.32 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 0.00 106 S 7.88 4.82 0.00 3.83 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 0.00 107 K 9.37 4.66 0.00 1.90 1.81 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.52 7.81 108 S 7.84 5.16 0.00 4.04 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 0.00 109 E 9.25 5.31 0.00 2.00 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 0.00 2.10 2.41 0.00 110 I 8.53 4.96 1.29 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.34 -0.19 0.00 0.00 111 V 8.88 4.78 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 0.94 0.00 0.00 0.85 0.00 0.00 112 V 8.44 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 0.87 0.00 0.00 0.89 0.00 0.00 113 P 0.00 4.55 0.00 1.64 1.61 0.00 3.74 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 2.03 2.08 0.00 114 I 8.53 4.56 1.91 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.88 0.90 0.00 0.00 115 F 10.14 5.46 0.00 2.80 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 0.00 116 K 9.24 4.41 0.00 1.74 1.64 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.43 7.81 117 D 9.42 4.27 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.42 4.47 0.00 2.81 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 0.00 119 K 7.86 4.81 0.00 1.97 1.71 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.65 7.81 120 I 8.49 4.09 1.83 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 0.72 0.50 0.79 0.00 0.00 121 I 8.56 4.23 1.86 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 1.31 1.05 0.97 0.00 0.00 122 G 7.01 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 0.00 0.00 0.00 0.00 123 V 8.24 5.07 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 0.79 0.00 0.00 1.06 0.00 0.00 124 L 9.13 4.76 0.00 1.88 1.68 0.42 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 125 D 9.13 5.34 0.00 2.90 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 0.00 126 I 8.76 5.39 1.55 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 1.19 0.49 1.13 0.00 0.00 127 D 9.49 5.78 0.00 2.96 2.78 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 0.00 128 A 9.25 5.31 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 0.00 129 P 0.00 4.83 0.00 2.21 2.20 0.00 3.48 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.92 0.00 130 I 7.19 4.66 1.84 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 1.39 0.65 0.94 0.00 0.00 131 T 8.27 4.22 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 1.23 0.00 0.00 132 D 8.76 4.36 0.00 2.70 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 0.00 133 R 7.76 3.75 0.00 1.46 1.41 0.00 3.00 0.00 0.00 3.01 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.50 0.00 134 F 7.83 5.02 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.83 5.04 0.00 2.98 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 0.00 136 D 8.59 4.41 0.00 2.73 2.78 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 0.00 137 N 8.25 4.28 0.00 2.85 3.09 0.00 0.00 7.24 8.49 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 0.00 138 D 8.63 4.40 0.00 3.11 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 0.00 139 K 8.13 3.82 0.00 1.85 2.00 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 140 E 8.11 3.81 0.00 2.05 1.84 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 2.08 2.25 0.00 141 H 7.78 4.15 0.00 1.79 2.62 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.15 4.07 0.00 1.66 1.68 0.95 0.95 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 0.00 143 E 8.34 3.98 0.00 2.17 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 2.34 2.55 0.00 144 A 7.87 4.05 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 0.00 145 I 7.89 3.76 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.27 1.00 0.00 0.00 146 V 8.03 3.73 2.31 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 1.24 0.00 0.00 1.07 0.00 0.00 147 K 8.05 4.05 0.00 2.08 1.87 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.73 7.81 148 I 7.39 3.77 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.73 0.93 0.00 0.00 149 I 7.62 3.88 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.23 0.81 0.00 0.00 150 E 8.45 4.04 0.00 2.20 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 2.55 2.61 0.00 151 K 8.05 4.01 0.00 1.87 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.86 1.64 7.81 152 Q 7.84 4.22 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 153 L 7.78 4.25 0.00 1.61 1.71 0.85 0.71 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 0.00 154 A 7.95 4.18 1.31 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 0.00 0.00