NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4096 8.2893 120.3498 54.8386 33.4088 175.0525 2 S 4.0143 8.6834 119.9743 58.4751 63.5712 172.6095 3 T 4.6375 8.1771 121.6219 60.7391 72.3210 174.7031 4 P 4.2802 0.0000 0.0000 65.8052 31.4372 178.2027 5 A 4.0764 8.1428 120.0699 55.2530 18.2312 179.0915 6 R 3.8386 8.0586 115.8962 59.6920 30.1279 178.4649 7 R 3.8908 8.0004 118.1802 59.3946 30.0015 178.1841 8 R 3.9509 8.3312 118.6932 59.7525 30.0632 178.3414 9 L 3.8956 8.1211 118.5295 58.2594 41.5883 179.6167 10 M 4.3375 8.3051 118.4971 58.1400 31.7551 179.1459 11 R 3.9968 8.2657 118.5537 59.3402 30.2258 178.6011 12 D 4.4298 8.5003 118.9566 57.3731 40.7653 178.3610 13 F 4.4552 8.9095 121.4221 61.7119 39.3879 177.2317 14 K 3.6724 8.2228 117.7023 59.3558 31.7790 179.2533 15 R 3.8105 8.2932 119.0794 59.4510 30.1879 178.1809 16 L 3.9166 8.1902 120.4538 58.4069 41.8195 178.7597 17 Q 3.9664 7.8380 118.7626 58.5534 28.9646 177.3125 18 E 4.2205 7.9959 118.1331 57.3837 31.2973 176.3759 19 D 4.8527 7.9714 118.6019 51.4558 40.9360 172.4724 20 P 4.6856 0.0000 0.0000 60.2271 32.9095 175.5419 21 P 4.5991 0.0000 0.0000 62.2507 32.8258 175.0157 22 V 4.2639 8.0021 116.7654 62.1145 33.8485 176.5099 23 G 3.8279 8.6979 111.9566 45.8444 0.0000 173.2951 24 V 5.0532 7.4762 111.7932 59.8613 35.8253 174.7413 25 S 4.9294 8.9278 118.6699 57.2238 67.6578 173.0786 26 G 4.7939 8.5542 106.0021 45.5666 0.0000 172.2663 27 A 4.8726 9.2459 124.8742 49.1067 23.4352 173.6135 28 P 3.7239 0.0000 0.0000 61.6512 32.4583 176.0529 29 S 4.1959 8.0147 117.0824 58.5421 63.3844 175.1172 30 E 3.9271 8.6729 121.6808 59.0455 29.6007 176.6495 31 N 4.6644 7.9522 114.1785 54.7983 40.5716 174.6613 32 N 4.7208 7.7827 113.3425 52.9475 39.2513 174.4639 33 I 4.5734 7.9840 116.8515 60.9820 39.9698 176.7799 34 M 4.1106 8.2235 119.0270 57.3902 33.1573 175.4173 35 Q 5.0657 8.1179 120.1471 54.2464 31.9973 174.2184 36 W 5.1718 9.4782 126.8904 55.2216 32.4846 174.8614 37 N 5.6912 9.3657 119.3107 51.6650 41.2298 173.6840 38 A 5.2444 9.1460 124.1094 50.5498 23.5974 174.8540 39 V 5.0706 9.0500 118.3273 61.5448 35.5938 174.3767 40 I 5.3988 8.8021 125.5289 59.7787 41.7493 174.1983 41 F 5.6883 8.5341 119.9312 53.9406 40.8634 175.4666 42 G 3.7398 8.4838 107.3087 45.3443 0.0000 171.9438 43 P 4.3885 0.0000 0.0000 61.3386 32.3232 175.3840 44 E 4.0766 8.4538 117.0741 58.1635 29.5327 177.6371 45 G 3.9497 8.9640 110.5175 45.4647 0.0000 173.6085 46 T 4.2737 7.4252 109.9462 60.0466 69.8220 173.8974 47 P 4.2934 0.0000 0.0000 64.3313 31.4465 176.8130 48 F 4.8345 7.4348 116.9204 57.2677 39.6210 177.1870 49 E 4.1806 7.6362 117.8794 58.5638 29.3239 178.1079 50 D 4.6926 8.3175 117.5055 56.4403 41.6049 176.7977 51 G 3.7561 8.0154 106.3818 46.4557 0.0000 172.8444 52 T 5.2844 8.2358 119.6321 61.5766 71.6559 173.6494 53 F 4.8839 9.5077 123.2952 55.4994 43.4010 173.9929 54 K 5.1642 9.3980 122.5576 54.8330 35.3060 174.9697 55 L 5.4719 9.3556 126.1764 52.9031 46.5733 175.5250 56 V 4.9228 8.6173 119.3956 60.1267 34.7987 174.4151 57 I 4.4440 8.4843 123.9091 59.7066 39.3648 174.3070 58 E 4.7700 8.6140 126.9045 54.7693 31.4066 175.5641 59 F 5.1479 8.9997 124.0088 55.7617 41.8911 174.6401 60 S 4.8956 8.5378 113.7214 56.3970 65.9248 173.9301 61 E 4.1845 8.7166 119.1687 59.0855 29.9749 177.9397 62 E 4.3636 7.9962 121.1711 55.0642 28.1024 174.0995 63 Y 5.0896 7.4864 121.0271 54.7887 42.1877 173.3207 64 P 4.2458 0.0000 0.0000 63.1217 31.1348 176.8389 65 N 4.4604 8.2438 119.6968 56.7671 39.0191 175.3072 66 K 4.5604 8.0019 116.2767 53.8588 33.6217 174.7114 67 P 2.9700 0.0000 0.0000 61.5077 31.3860 174.1241 68 P 4.1362 0.0000 0.0000 62.9997 31.6019 176.4174 69 T 3.9536 8.0544 121.6774 63.3154 69.7893 173.6992 70 V 4.6383 7.9035 122.0162 61.2208 34.7309 174.6987 71 R 4.8667 8.8081 124.7447 54.3877 34.2767 174.6544 72 F 4.8055 8.7255 120.9373 56.4297 39.1177 176.1735 73 L 4.3490 8.7177 125.5098 57.3189 41.9710 178.4473 74 S 4.6048 8.1574 111.8825 56.3820 64.4924 173.8732 75 K 3.9704 8.4772 121.0561 57.6669 32.6074 175.9153 76 M 4.6340 8.3090 120.6111 53.5109 35.1205 174.0858 77 F 4.9061 8.3759 126.7344 57.2257 40.9399 173.4271 78 H 4.3943 8.0271 125.3429 54.6773 32.5623 172.5429 79 P 4.8796 0.0000 0.0000 63.6975 31.7378 177.3143 80 N 4.7481 7.9075 115.0662 52.6399 39.1831 174.0880 81 V 4.7621 7.2557 118.1682 61.0732 34.3359 174.8908 82 Y 4.4007 8.6835 124.8008 57.3405 38.5186 176.6937 83 A 4.0804 8.7494 124.9240 55.4107 18.5736 178.4036 84 D 4.4417 8.3975 112.3819 54.2778 41.8564 175.8785 85 G 4.1700 8.2347 106.6032 47.4779 0.0000 171.8681 86 S 5.1931 7.6554 112.2283 56.7180 67.5685 173.2805 87 I 4.8288 8.1463 123.2305 59.4120 38.7882 175.5277 88 C 4.3522 8.4617 126.2694 59.6685 28.5515 173.6617 89 L 4.5831 8.2259 125.2987 53.3297 45.1455 176.1088 90 D 4.3587 8.8606 125.5908 57.1728 41.4090 177.9801 91 I 3.8950 7.7720 111.7926 62.9710 37.7367 176.7679 92 L 4.3849 7.7283 120.3771 54.4225 42.3876 176.6829 93 Q 4.6971 7.6805 119.8406 55.0445 29.9327 177.0083 94 N 4.3024 9.0487 119.3554 57.7969 38.9768 176.0008 95 R 4.2211 7.9340 115.1989 56.3080 30.3882 175.8943 96 W 4.5706 7.8314 126.2087 58.0822 31.0285 174.7299 97 S 4.4527 7.0439 115.2103 56.1572 65.1614 172.1701 98 P 4.6814 0.0000 0.0000 63.2043 30.8042 176.5954 99 T 4.2246 6.9863 108.2665 63.6077 71.1291 174.8670 100 Y 3.9815 6.8846 119.2728 57.6504 38.3483 175.4782 101 D 5.1077 8.3795 123.1515 51.3141 43.5196 177.4263 102 V 3.6823 8.2967 118.2803 65.9063 31.2880 177.8548 103 S 4.2112 8.2025 113.6666 61.5855 63.0094 176.0238 104 S 4.2396 8.5624 119.2154 60.0998 61.9980 175.9314 105 I 3.7891 8.2081 122.5641 64.8412 36.9409 178.4191 106 L 4.0398 7.7934 119.6687 57.9369 41.2920 179.6675 107 T 3.9901 8.4041 110.1873 64.6926 68.5449 176.6561 108 S 4.1997 8.0983 117.9655 61.8291 62.7342 176.8929 109 I 3.7390 7.1258 120.2244 64.1412 37.0257 178.0151 110 Q 4.0329 8.1141 120.6435 59.5540 28.9385 178.7336 111 S 4.1986 8.2501 115.9391 61.2204 62.6094 176.4027 112 L 4.1984 7.9790 124.3347 57.4918 41.7557 178.7367 113 L 3.8468 7.5849 118.4249 57.4830 41.5466 178.4964 114 D 4.7954 7.9153 116.8540 55.6919 41.6792 175.4134 115 E 4.4683 8.4417 120.1637 53.1591 30.3025 172.6564 116 P 4.4510 0.0000 0.0000 62.4859 32.3494 176.7635 117 N 4.7324 8.7660 118.7652 50.9670 37.8511 173.1738 118 P 4.3994 0.0000 0.0000 63.6512 31.7884 177.8104 119 N 4.3335 7.6758 117.7350 55.8634 38.9384 174.5026 120 S 4.5311 7.8343 113.3370 55.8871 63.9256 171.7639 121 P 4.4833 0.0000 0.0000 60.9270 29.9138 176.1408 122 A 3.9898 8.5150 129.7227 55.2943 18.6568 178.2396 123 N 4.9262 7.6609 117.5226 50.7076 37.6740 174.8234 124 S 4.1692 8.6976 122.1536 61.7938 62.7574 176.1160 125 Q 3.9803 8.2738 121.5797 59.3146 28.7418 178.4198 126 A 4.2924 8.2201 121.1260 55.4230 18.4132 179.5246 127 A 4.1511 8.1394 118.7423 55.1193 18.4363 179.5413 128 Q 3.9989 8.4283 118.5680 59.6035 29.1669 178.4201 129 L 4.3292 8.4887 120.3215 57.7605 41.3652 178.9346 130 Y 3.8617 8.2659 119.2575 60.8639 38.8564 178.0114 131 Q 4.2682 7.8391 117.1840 58.6888 29.0680 176.9911 132 E 3.9796 9.1395 120.0810 56.4879 30.6127 178.5224 133 N 4.8191 6.1482 121.4013 52.1436 36.4304 174.9223 134 K 3.8670 7.8342 123.8785 59.5742 32.7549 177.8722 135 R 4.3263 8.2243 119.4302 58.1731 29.9919 178.5497 136 E 3.9970 8.2937 117.9723 59.3192 29.6264 178.3258 137 Y 4.2535 8.1352 120.0960 60.7541 38.7185 177.8376 138 E 3.9654 8.4522 119.3685 59.2889 29.4935 179.2134 139 K 3.9458 7.8885 119.0278 59.7964 32.2150 178.9889 140 R 3.8677 8.3906 118.5691 59.2299 29.9088 179.3312 141 V 3.7309 8.3438 118.4226 66.0694 31.4367 178.1226 142 S 4.0437 8.0853 114.7275 61.7005 62.7471 176.6270 143 A 3.9308 8.2021 123.4438 55.1427 17.8646 179.5121 144 I 3.6736 7.8922 116.5567 63.9706 38.5297 177.9704 145 V 3.3871 7.9376 119.3873 65.6369 31.3136 177.6352 146 E 2.5400 7.9574 119.3525 58.9043 29.2454 178.7357 147 Q 3.9681 7.5279 116.8995 58.6983 29.0045 178.4298 148 S 4.0984 7.2574 114.1085 61.1378 62.0405 175.9331 149 W 4.6966 7.3695 116.7071 57.4052 28.4435 176.8743 150 N 4.4785 8.0184 118.8193 55.7525 38.5821 174.6154 151 D 4.9625 7.9059 117.2663 52.7986 42.7003 176.1466 152 S 4.1574 8.3569 116.4585 58.7571 62.4426 173.4889 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 8.29 4.41 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 2 S 8.68 4.01 0.00 4.11 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 3 T 8.18 4.64 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 1.24 0.00 0.00 4 P 0.00 4.28 0.00 2.29 2.33 0.00 3.74 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 2.11 2.05 0.00 5 A 8.14 4.08 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 6 R 8.06 3.84 0.00 1.95 2.10 0.00 3.24 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 7 R 8.00 3.89 0.00 2.18 1.95 0.00 3.24 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 8 R 8.33 3.95 0.00 2.20 2.26 0.00 3.24 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 9 L 8.12 3.90 0.00 1.68 1.78 0.45 -1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 10 M 8.31 4.34 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.80 0.00 11 R 8.27 4.00 0.00 2.10 2.03 0.00 3.34 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 12 D 8.50 4.43 0.00 2.94 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 13 F 8.91 4.46 0.00 3.60 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 14 K 8.22 3.67 0.00 2.03 1.86 0.00 1.76 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.69 7.81 15 R 8.29 3.81 0.00 1.87 2.09 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 16 L 8.19 3.92 0.00 1.86 1.93 0.99 0.97 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 17 Q 7.84 3.97 0.00 1.38 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 18 E 8.00 4.22 0.00 2.15 2.02 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 2.58 2.30 0.00 19 D 7.97 4.85 0.00 2.65 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 20 P 0.00 4.69 0.00 2.22 2.02 0.00 3.41 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 21 P 0.00 4.60 0.00 2.25 2.17 0.00 3.76 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 2.22 2.01 0.00 22 V 8.00 4.26 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 1.03 0.00 0.00 0.93 0.00 0.00 23 G 8.70 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 0.00 0.00 0.00 24 V 7.48 5.05 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 0.90 0.00 0.00 1.01 0.00 0.00 25 S 8.93 4.93 0.00 3.81 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 26 G 8.55 4.79 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 0.00 0.00 0.00 27 A 9.25 4.87 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 28 P 0.00 3.72 0.00 1.49 0.76 0.00 2.89 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.83 0.00 29 S 8.01 4.20 0.00 4.11 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 30 E 8.67 3.93 0.00 1.85 1.91 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 2.24 2.28 0.00 31 N 7.95 4.66 0.00 2.66 2.75 0.00 0.00 6.97 7.77 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 32 N 7.78 4.72 0.00 2.73 2.75 0.00 0.00 6.59 7.46 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 33 I 7.98 4.57 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.93 0.00 0.00 34 M 8.22 4.11 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.65 0.00 35 Q 8.12 5.07 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 36 W 9.48 5.17 0.00 3.39 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 9.37 5.69 0.00 2.61 2.72 0.00 0.00 6.95 7.17 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 38 A 9.15 5.24 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 39 V 9.05 5.07 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 1.07 0.00 0.00 1.01 0.00 0.00 40 I 8.80 5.40 2.02 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 1.38 0.76 0.99 0.00 0.00 41 F 8.53 5.69 0.00 3.16 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 42 G 8.48 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 0.00 0.00 0.00 43 P 0.00 4.39 0.00 2.21 2.20 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 44 E 8.45 4.08 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 2.43 0.00 45 G 8.96 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 46 T 7.43 4.27 4.42 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 1.32 0.00 0.00 47 P 0.00 4.29 0.00 1.71 1.93 0.00 3.42 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.52 0.00 48 F 7.43 4.83 0.00 3.07 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 49 E 7.64 4.18 0.00 2.12 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 0.00 2.46 2.29 0.00 50 D 8.32 4.69 0.00 2.90 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 51 G 8.02 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 52 T 8.24 5.28 4.28 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 1.39 0.00 0.00 53 F 9.51 4.88 0.00 3.05 3.05 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 0.00 0.00 0.00 54 K 9.40 5.16 0.00 1.87 1.68 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.49 7.81 55 L 9.36 5.47 0.00 1.65 1.36 1.05 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.62 4.92 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 1.02 0.00 0.00 0.98 0.00 0.00 57 I 8.48 4.44 1.42 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 1.34 0.97 0.09 0.00 0.00 58 E 8.61 4.77 0.00 1.65 1.73 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 2.15 2.13 0.00 59 F 9.00 5.15 0.00 2.88 2.65 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 60 S 8.54 4.90 0.00 3.99 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 61 E 8.72 4.18 0.00 2.03 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 0.00 2.35 2.34 0.00 62 E 8.00 4.36 0.00 2.09 1.91 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 2.41 2.39 0.00 63 Y 7.49 5.09 0.00 3.11 2.93 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 0.00 0.00 0.00 0.00 64 P 0.00 4.25 0.00 2.25 1.52 0.00 3.50 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 65 N 8.24 4.46 0.00 2.73 3.02 0.00 0.00 7.14 6.70 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 66 K 8.00 4.56 0.00 1.91 1.69 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.49 7.81 67 P 0.00 2.97 0.00 1.60 1.37 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 68 P 0.00 4.14 0.00 1.53 1.98 0.00 2.20 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.19 0.00 69 T 8.05 3.95 4.05 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 0.00 0.00 1.08 0.00 0.00 70 V 7.90 4.64 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 0.51 0.00 0.00 0.67 0.00 0.00 71 R 8.81 4.87 0.00 1.66 1.90 0.00 3.41 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.66 0.00 72 F 8.73 4.81 0.00 2.99 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 73 L 8.72 4.35 0.00 1.65 1.77 0.95 0.73 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 74 S 8.16 4.60 0.00 3.95 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 75 K 8.48 3.97 0.00 1.88 1.87 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.36 7.81 76 M 8.31 4.63 0.00 1.23 1.19 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.93 0.00 77 F 8.38 4.91 0.00 2.78 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 78 H 8.03 4.39 0.00 2.79 2.87 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.88 0.00 2.16 2.10 0.00 3.39 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 80 N 7.91 4.75 0.00 2.85 2.82 0.00 0.00 6.75 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 81 V 7.26 4.76 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 0.74 0.00 0.00 1.00 0.00 0.00 82 Y 8.68 4.40 0.00 3.16 2.93 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 0.00 0.00 0.00 0.00 83 A 8.75 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 4.44 0.00 2.65 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 85 G 8.23 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 86 S 7.66 5.19 0.00 3.93 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 87 I 8.15 4.83 1.76 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 1.47 0.77 0.86 0.00 0.00 88 C 8.46 4.35 0.00 2.91 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 89 L 8.23 4.58 0.00 1.62 1.38 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.86 4.36 0.00 2.80 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 91 I 7.77 3.90 1.54 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 1.34 0.56 0.94 0.00 0.00 92 L 7.73 4.38 0.00 1.68 1.49 0.73 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 7.68 4.70 0.00 2.20 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 94 N 9.05 4.30 0.00 2.68 2.90 0.00 0.00 6.79 7.68 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 95 R 7.93 4.22 0.00 2.06 1.98 0.00 3.52 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 96 W 7.83 4.57 0.00 3.48 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 S 7.04 4.45 0.00 3.78 3.50 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 0.00 0.00 0.00 0.00 98 P 0.00 4.68 0.00 2.11 2.04 0.00 3.62 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 1.88 1.89 0.00 99 T 6.99 4.22 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 1.02 0.00 0.00 100 Y 6.88 3.98 0.00 2.11 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 0.00 101 D 8.38 5.11 0.00 2.97 2.80 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 0.00 102 V 8.30 3.68 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 1.11 0.00 0.00 0.77 0.00 0.00 103 S 8.20 4.21 0.00 4.14 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 0.00 104 S 8.56 4.24 0.00 4.31 4.31 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 0.00 105 I 8.21 3.79 2.13 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.16 0.87 0.00 0.00 106 L 7.79 4.04 0.00 1.86 1.78 1.11 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.40 3.99 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 1.33 0.00 0.00 108 S 8.10 4.20 0.00 4.15 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 0.00 109 I 7.13 3.74 1.95 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 1.33 0.63 0.88 0.00 0.00 110 Q 8.11 4.03 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 7.23 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 111 S 8.25 4.20 0.00 3.95 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 0.00 112 L 7.98 4.20 0.00 1.64 1.92 1.06 0.87 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 0.00 113 L 7.58 3.85 0.00 1.54 1.12 0.32 -0.16 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 0.00 114 D 7.92 4.80 0.00 2.66 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 0.00 115 E 8.44 4.47 0.00 1.98 1.76 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 2.18 2.22 0.00 116 P 0.00 4.45 0.00 2.11 1.91 0.00 3.80 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 1.88 2.00 0.00 117 N 8.77 4.73 0.00 2.70 2.79 0.00 0.00 7.36 7.25 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 0.00 118 P 0.00 4.40 0.00 2.13 2.01 0.00 3.77 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.84 0.00 119 N 7.68 4.33 0.00 2.49 2.99 0.00 0.00 6.91 7.51 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 0.00 120 S 7.83 4.53 0.00 3.83 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 0.00 121 P 0.00 4.48 0.00 2.18 2.07 0.00 3.77 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 1.98 1.95 0.00 122 A 8.51 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 N 7.66 4.93 0.00 2.91 3.04 0.00 0.00 6.22 7.64 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 0.00 124 S 8.70 4.17 0.00 3.92 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 0.00 125 Q 8.27 3.98 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 126 A 8.22 4.29 1.55 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 0.00 127 A 8.14 4.15 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 0.00 128 Q 8.43 4.00 0.00 2.28 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 129 L 8.49 4.33 0.00 2.13 1.92 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 8.27 3.86 0.00 3.29 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 0.00 131 Q 7.84 4.27 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.83 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 132 E 9.14 3.98 0.00 2.13 1.85 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 2.37 2.39 0.00 133 N 6.15 4.82 0.00 2.81 2.79 0.00 0.00 6.90 8.57 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 0.00 134 K 7.83 3.87 0.00 1.75 1.74 0.00 1.65 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.35 7.81 135 R 8.22 4.33 0.00 1.87 1.96 0.00 3.61 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.49 0.00 136 E 8.29 4.00 0.00 2.24 2.22 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 2.30 2.55 0.00 137 Y 8.14 4.25 0.00 3.19 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 0.00 138 E 8.45 3.97 0.00 2.19 1.98 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 2.25 2.33 0.00 139 K 7.89 3.95 0.00 2.09 1.82 0.00 1.53 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.54 7.81 140 R 8.39 3.87 0.00 1.99 1.95 0.00 3.40 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.45 0.00 141 V 8.34 3.73 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 0.60 0.00 0.00 1.07 0.00 0.00 142 S 8.09 4.04 0.00 4.05 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 0.00 143 A 8.20 3.93 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 0.00 144 I 7.89 3.67 2.12 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 1.27 0.00 0.00 145 V 7.94 3.39 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 0.78 0.00 0.00 1.30 0.00 0.00 146 E 7.96 2.54 0.00 1.92 1.94 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 2.36 2.64 0.00 147 Q 7.53 3.97 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 148 S 7.26 4.10 0.00 3.48 3.40 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 0.00 149 W 7.37 4.70 0.00 3.55 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 0.00 150 N 8.02 4.48 0.00 2.83 2.87 0.00 0.00 7.03 8.46 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 0.00 151 D 7.91 4.96 0.00 2.73 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 0.00 152 S 8.36 4.16 0.00 3.80 3.67 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 0.00 0.00 0.00 0.00