NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1015 8.0549 120.3939 62.6257 32.5920 175.0266 2 L 4.1643 8.3670 127.1676 52.2045 42.7982 175.6246 3 S 4.6141 8.9908 117.6647 57.3462 66.5594 174.7601 4 E 4.2516 8.7961 122.0478 59.5343 29.4235 178.7920 5 G 3.7080 8.1540 105.2073 48.0011 0.0000 175.3489 6 E 3.9658 7.8804 120.9805 58.8857 29.4703 179.4379 7 W 4.2995 8.1787 119.0761 59.8141 29.0042 178.5320 8 Q 4.1715 8.7032 118.5243 59.0525 28.2916 178.9436 9 L 4.0395 7.9299 119.6207 57.6941 41.5573 179.7887 10 V 3.7502 7.9966 118.2025 66.2168 31.5789 178.2075 11 L 4.2008 8.7293 119.1477 57.9137 41.1843 179.0130 12 H 4.1691 8.4295 117.9199 59.3504 30.1736 177.2703 13 V 3.7618 7.9565 119.7174 65.6409 31.4039 177.7857 14 W 3.9007 8.7617 128.2901 60.2359 30.2808 177.7358 15 A 4.1622 7.9378 120.0539 54.9191 17.4762 179.4300 16 K 3.9045 7.7858 117.3394 59.2595 31.9907 179.7224 17 V 2.6928 6.8915 118.0768 65.6769 31.1412 177.7895 18 E 3.8020 7.5159 116.6124 58.9725 29.2708 178.8848 19 A 4.1913 7.3049 119.2415 53.9793 19.9231 177.6879 20 D 4.6591 7.8430 115.8397 52.3333 43.2916 175.5762 21 V 3.4642 7.9245 123.2182 65.5860 32.0455 176.7409 22 A 4.0922 8.0147 120.1450 55.0181 18.3469 179.7439 23 G 3.9176 8.1700 105.4867 47.9040 0.0000 175.6813 24 H 4.1332 8.2815 119.4098 58.2098 28.6835 178.0932 25 G 3.6042 8.4603 107.8983 47.9011 0.0000 175.5925 26 Q 3.9196 7.9016 120.8320 58.6820 28.7331 178.7199 27 D 4.2842 7.8230 119.4189 57.5250 40.8692 179.0629 28 I 3.6349 7.7547 120.0667 64.3318 37.0164 178.6219 29 L 3.4079 7.7489 119.6546 57.6306 41.3765 179.5726 30 I 3.6672 7.7515 120.0206 64.1850 36.9096 178.3454 31 R 3.7702 7.9464 119.5489 59.3137 29.8374 178.1348 32 L 3.8924 7.7134 119.9078 58.4529 41.8851 179.1024 33 F 4.5509 7.9824 117.7711 60.3515 38.5139 177.9575 34 K 4.0399 8.0685 117.7332 59.5227 32.0815 179.3139 35 S 4.2508 8.0876 114.4950 60.3694 64.1170 174.4886 36 H 4.8107 8.2411 118.8266 51.8499 29.1360 171.9711 37 P 4.5406 0.0000 0.0000 64.5838 30.7033 178.2113 38 E 4.2605 8.2224 117.6758 59.6256 29.6297 178.9766 39 T 3.9839 8.2924 111.0722 64.3682 68.8120 176.4205 40 L 3.7700 7.9738 123.3396 57.9196 41.8241 178.6199 41 E 4.0899 7.8094 116.4941 58.8592 29.4122 178.9347 42 K 4.4227 8.0014 117.2719 57.2197 32.6195 177.3665 43 F 4.5217 8.2571 118.8975 55.5601 39.1969 175.7409 44 D 4.4116 8.5440 124.9269 57.3765 40.5998 179.1606 45 R 3.8525 7.7390 112.9845 57.8887 29.8312 176.8432 46 F 5.0440 7.2051 116.1055 57.0355 40.7006 177.2230 47 K 3.8247 8.2015 120.5650 59.7964 31.9278 177.6144 48 H 4.3841 8.1921 112.0480 57.0287 29.0178 175.2434 49 L 4.1341 7.5783 121.2495 54.8333 41.3621 176.9335 50 K 4.1443 9.3071 125.3210 58.2279 32.7623 177.6841 51 T 4.6906 7.3252 107.4079 59.0712 73.0523 174.3749 52 E 3.9082 8.5737 120.7171 59.2169 29.6458 178.3616 53 A 3.9855 7.9630 120.3785 55.3905 18.3835 179.3122 54 E 3.9375 7.9745 116.8869 59.7484 29.2520 179.5583 55 M 4.0087 7.5799 117.4639 58.3890 32.1121 178.7382 56 K 4.0712 7.9965 117.2895 59.1482 32.2553 178.9443 57 A 4.2812 7.6758 120.0330 53.1238 18.7794 177.5291 58 S 4.1484 7.3960 113.3290 58.1798 62.8086 174.5210 59 E 4.0293 8.9039 129.1401 59.3761 29.4193 178.2619 60 D 4.4853 8.1285 118.7117 57.2449 40.9271 178.2831 61 L 3.4524 8.0921 120.9790 57.6988 41.9210 178.9527 62 K 3.8900 7.9327 119.2463 59.4027 32.1544 178.9808 63 K 4.0178 8.2931 118.8914 59.6827 31.8972 178.7814 64 H 4.3686 8.7155 118.8554 59.3564 29.8704 177.4968 65 G 3.5864 8.3672 107.6980 47.7614 0.0000 175.8611 66 V 3.6410 7.6805 120.1070 66.1624 31.6737 178.2762 67 T 3.8875 7.9089 115.5478 66.5235 68.2070 176.8477 68 V 3.5831 7.9930 120.2109 66.2028 31.6058 178.2353 69 L 4.1990 8.0760 118.6444 57.9919 41.4745 179.7141 70 T 3.9576 8.3537 116.0051 66.5133 68.5026 176.5764 71 A 3.9787 7.9794 122.4935 55.0909 18.3774 179.4489 72 L 3.7515 8.1816 119.1939 58.0812 42.0474 179.4487 73 G 3.0793 8.4402 105.8540 47.5654 0.0000 175.5558 74 A 3.9625 7.6576 122.0368 54.7401 18.6139 179.6911 75 I 3.7851 7.3812 117.9061 64.6217 37.3010 178.5583 76 L 4.0042 7.7338 119.9279 57.7362 41.1838 179.5648 77 K 4.0387 7.8294 116.7739 58.1922 32.2160 178.5772 78 K 3.9948 7.8414 118.2525 55.7786 32.5073 176.6011 79 K 2.0000 8.2248 118.2513 56.3756 29.9383 175.6082 80 G 3.9173 7.8704 106.3078 45.7387 0.0000 174.3195 81 H 4.5738 7.4359 119.1373 54.8123 27.2639 174.7096 82 H 5.7856 7.2521 113.0421 54.0624 29.7426 176.8297 83 E 3.9468 8.6157 122.1916 60.4640 29.2620 177.9643 84 A 4.0451 7.9210 118.8735 55.1616 17.7479 178.9807 85 E 4.1223 8.1561 116.7784 59.4039 29.6730 179.2747 86 L 4.3540 8.1551 119.1993 57.5552 41.6242 179.0996 87 K 3.8746 7.8872 118.5690 59.5184 32.0737 177.3188 88 P 4.3026 0.0000 0.0000 65.4748 31.4540 178.5272 89 L 4.0612 7.5645 119.2914 58.1977 42.0428 178.9405 90 A 4.2437 8.7010 121.0677 55.1768 18.3276 179.4022 91 Q 3.9022 8.3123 118.3369 59.3974 29.1756 178.6804 92 S 4.0745 8.1968 115.3332 61.8560 63.0709 176.1492 93 H 4.3524 8.4763 119.3721 58.0869 28.3779 177.5106 94 A 3.1595 8.1132 122.8218 54.9244 18.2571 179.8374 95 T 3.5495 7.4857 112.7289 66.3073 68.7717 176.5457 96 K 3.8984 7.5995 119.7941 59.3896 32.4468 177.3030 97 H 4.4367 8.0928 113.5554 55.1896 29.8027 175.1258 98 K 3.4090 7.3878 117.0708 56.0113 28.4736 175.1281 99 I 4.2976 8.4554 118.7856 58.5573 38.0418 174.7796 100 P 4.6931 0.0000 0.0000 61.7980 32.0635 177.3955 101 I 3.5431 8.3360 120.9075 64.6918 36.9881 178.1883 102 K 3.5794 7.9826 119.7107 60.0208 31.8239 178.1715 103 Y 4.1440 8.0377 116.5527 60.7803 37.8670 178.1680 104 L 4.2603 8.0592 120.0825 57.4856 41.6780 179.2344 105 E 4.0915 7.8885 118.4985 59.1884 29.5160 179.0017 106 F 4.5358 7.7993 117.6412 60.7865 38.9091 177.6102 107 I 3.8580 8.1150 118.2599 64.0102 37.7380 178.0683 108 S 4.2011 8.1380 115.8615 61.5515 62.5649 176.4853 109 E 4.0152 8.3747 121.0144 59.3635 29.2830 179.0970 110 A 3.9995 8.0153 120.7653 55.2713 18.3846 179.6497 111 I 3.6503 8.0631 118.3183 64.7448 37.2888 178.5856 112 I 3.7816 7.8031 120.4945 64.7169 36.8764 177.9649 113 H 4.1234 8.5268 119.0477 59.3384 29.7742 177.4683 114 V 3.5093 7.8483 119.9433 66.0148 31.3328 177.9283 115 L 3.7803 7.8489 118.7566 57.8394 41.0402 179.0607 116 H 4.3423 7.8653 117.2738 59.3344 29.9245 177.2886 117 S 4.1735 8.0047 116.1581 61.7255 62.7803 176.5400 118 R 4.0329 8.1672 119.3861 57.7264 31.1101 176.5941 119 H 5.0399 8.3582 115.3015 53.7177 29.3017 172.7178 120 P 4.2384 0.0000 0.0000 65.8159 31.7274 179.8284 121 G 3.4474 8.1937 104.6500 47.8053 0.0000 173.5171 122 D 4.8516 7.5474 116.8203 54.1366 42.8691 176.9619 123 F 5.0442 8.1098 122.3495 57.3515 36.8184 174.5122 124 G 3.8815 7.5676 108.2220 43.5805 0.0000 171.2234 125 A 3.8771 8.4094 120.6635 55.4844 18.2166 179.6769 126 D 4.1809 7.9494 116.4719 57.3803 40.8758 178.7589 127 A 3.9112 7.7045 120.8100 55.1586 18.4278 179.3214 128 Q 3.2738 7.7514 118.3957 58.7725 28.9161 178.7309 129 G 3.4731 8.0446 106.8358 47.6683 0.0000 175.6094 130 A 3.8496 8.0183 123.5821 54.9284 18.3702 179.4495 131 M 4.0178 8.3809 117.1404 58.7328 32.3801 177.9130 132 N 4.3319 8.5704 117.6736 56.6106 39.1073 176.8336 133 K 3.8413 8.1800 119.7218 59.4427 32.1647 179.1545 134 A 3.7939 7.7911 120.7915 55.2178 18.3030 179.7789 135 L 4.1183 8.1106 117.4772 57.8597 41.5319 179.6784 136 E 4.0002 8.4052 118.8768 59.0775 29.3035 178.9543 137 L 3.9472 7.9415 120.4705 58.0776 42.1027 178.5975 138 F 4.1473 8.3326 120.4656 61.7239 39.3396 177.3919 139 R 3.4181 8.2087 117.4485 58.6773 29.8412 179.1169 140 K 3.8233 8.2337 119.8089 59.7356 32.4290 178.7639 141 D 4.3262 8.2905 119.5271 57.2518 40.7044 178.6597 142 I 3.4503 7.7165 119.3927 63.7230 37.9437 177.8610 143 A 3.6394 7.8054 121.5753 54.7325 18.1359 179.5023 144 A 3.9323 7.8262 119.2310 55.2949 18.4588 180.0398 145 K 4.1351 7.9312 116.5910 59.6483 32.0050 179.0698 146 Y 4.3497 8.0813 117.1078 61.1874 37.8771 178.8885 147 K 4.5070 7.9267 120.1540 59.2525 32.0225 179.2216 148 E 4.0400 7.9610 117.0843 59.1281 29.4555 178.6188 149 L 4.4211 7.7759 116.3913 54.6540 42.0158 177.5260 150 G 3.9135 8.0350 107.4023 45.8516 0.0000 173.5759 151 Y 4.4730 8.2444 121.6003 57.8151 39.3559 175.5858 152 Q 4.1748 9.3089 124.2440 54.4409 27.0070 173.6101 153 G 3.6503 7.0114 109.2757 46.3449 0.0000 172.6069 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 V 8.05 4.10 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 1.06 0.00 0.00 0.95 0.00 0.00 2 L 8.37 4.16 0.00 1.05 0.85 0.66 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.99 4.61 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 4.25 0.00 2.19 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 2.43 2.52 0.00 5 G 8.15 3.71 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 0.00 0.00 0.00 6 E 7.88 3.97 0.00 1.84 1.74 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 2.22 2.26 0.00 7 W 8.18 4.30 0.00 3.58 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.70 4.17 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 9 L 7.93 4.04 0.00 1.93 1.74 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.00 3.75 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 1.30 0.00 0.00 0.88 0.00 0.00 11 L 8.73 4.20 0.00 1.82 1.83 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.43 4.17 0.00 3.25 3.62 0.00 5.95 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 13 V 7.96 3.76 2.43 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 1.00 0.00 0.00 1.25 0.00 0.00 14 W 8.76 3.90 0.00 3.70 3.26 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 15 A 7.94 4.16 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 16 K 7.79 3.90 0.00 1.44 1.41 0.00 1.54 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.33 7.81 17 V 6.89 2.69 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 0.00 0.00 0.19 0.00 0.00 0.03 0.00 0.00 18 E 7.52 3.80 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 19 A 7.30 4.19 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.84 4.66 0.00 2.69 2.51 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 21 V 7.92 3.46 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 1.03 0.00 0.00 0.88 0.00 0.00 22 A 8.01 4.09 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 23 G 8.17 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 0.00 0.00 0.00 24 H 8.28 4.13 0.00 3.32 3.23 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.46 3.60 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 0.00 0.00 0.00 26 Q 7.90 3.92 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 27 D 7.82 4.28 0.00 2.78 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 28 I 7.75 3.63 1.81 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.71 0.88 0.00 0.00 29 L 7.75 3.41 0.00 1.42 1.05 0.82 0.31 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 30 I 7.75 3.67 1.85 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 1.39 0.63 0.89 0.00 0.00 31 R 7.95 3.77 0.00 1.96 2.10 0.00 3.03 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 32 L 7.71 3.89 0.00 1.74 1.38 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.98 4.55 0.00 3.15 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 34 K 8.07 4.04 0.00 1.88 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.60 7.81 35 S 8.09 4.25 0.00 3.61 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.24 4.81 0.00 3.08 3.09 0.00 5.63 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 37 P 0.00 4.54 0.00 2.27 2.33 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.89 0.00 38 E 8.22 4.26 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 39 T 8.29 3.98 4.53 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 0.80 0.00 0.00 40 L 7.97 3.77 0.00 1.49 1.82 -0.06 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.81 4.09 0.00 2.30 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 2.40 2.44 0.00 42 K 8.00 4.42 0.00 2.04 1.70 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.74 1.97 7.81 43 F 8.26 4.52 0.00 3.16 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 44 D 8.54 4.41 0.00 2.61 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 45 R 7.74 3.85 0.00 1.58 1.82 0.00 2.64 0.00 0.00 2.98 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 46 F 7.21 5.04 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.20 3.82 0.00 1.78 1.94 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.69 7.81 48 H 8.19 4.38 0.00 3.29 3.43 0.00 5.53 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 49 L 7.58 4.13 0.00 1.52 1.58 0.84 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 50 K 9.31 4.14 0.00 1.71 1.85 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.56 7.81 51 T 7.33 4.69 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 52 E 8.57 3.91 0.00 2.04 1.97 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 2.35 2.36 0.00 53 A 7.96 3.99 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 54 E 7.97 3.94 0.00 2.10 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 0.00 2.32 2.34 0.00 55 M 7.58 4.01 0.00 1.98 2.26 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.53 0.00 56 K 8.00 4.07 0.00 1.86 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.68 4.28 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 58 S 7.40 4.15 0.00 3.83 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 59 E 8.90 4.03 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 60 D 8.13 4.49 0.00 3.04 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 61 L 8.09 3.45 0.00 1.24 1.59 0.64 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.93 3.89 0.00 1.98 1.94 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.29 4.02 0.00 2.11 1.93 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.62 7.81 64 H 8.72 4.37 0.00 3.66 3.57 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.37 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.68 3.64 2.27 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 1.13 0.00 0.00 1.00 0.00 0.00 67 T 7.91 3.89 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 1.28 0.00 0.00 68 V 7.99 3.58 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 1.16 0.00 0.00 0.88 0.00 0.00 69 L 8.08 4.20 0.00 1.83 1.91 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.35 3.96 4.43 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 1.25 0.00 0.00 71 A 7.98 3.98 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 72 L 8.18 3.75 0.00 1.61 1.74 0.33 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.44 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 0.00 0.00 0.00 74 A 7.66 3.96 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 75 I 7.38 3.79 1.86 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 1.53 0.83 0.91 0.00 0.00 76 L 7.73 4.00 0.00 1.33 1.57 0.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.83 4.04 0.00 1.63 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.61 7.81 78 K 7.84 3.99 0.00 1.80 1.83 0.00 1.74 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.65 1.75 7.81 79 K 8.22 2.00 0.00 1.28 0.74 0.00 1.42 0.00 0.00 1.38 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.51 0.86 7.81 80 G 7.87 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 0.00 0.00 0.00 81 H 7.44 4.57 0.00 3.14 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.25 5.79 0.00 3.28 3.44 0.00 5.65 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.62 3.95 0.00 2.13 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 2.40 2.46 0.00 84 A 7.92 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.16 4.12 0.00 2.11 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 2.47 0.00 86 L 8.16 4.35 0.00 1.95 1.71 0.96 0.52 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 87 K 7.89 3.87 0.00 1.77 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.87 7.81 88 P 0.00 4.30 0.00 2.20 2.14 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 89 L 7.56 4.06 0.00 2.14 1.91 1.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.70 4.24 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.31 3.90 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 92 S 8.20 4.07 0.00 4.12 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 93 H 8.48 4.35 0.00 3.64 3.65 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.11 3.16 0.76 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 95 T 7.49 3.55 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 96 K 7.60 3.90 0.00 1.53 1.65 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.12 1.30 7.81 97 H 8.09 4.44 0.00 3.03 3.19 0.00 5.86 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 98 K 7.39 3.41 0.00 1.77 1.70 0.00 1.42 0.00 0.00 1.35 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.11 1.19 7.81 99 I 8.46 4.30 2.15 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.01 1.17 0.00 0.00 100 P 0.00 4.69 0.00 1.97 1.98 0.00 3.28 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 0.99 1.10 0.00 101 I 8.34 3.54 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 1.34 0.96 0.78 0.00 0.00 102 K 7.98 3.58 0.00 1.72 1.67 0.00 1.35 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 0.87 7.81 103 Y 8.04 4.14 0.00 3.22 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 0.00 104 L 8.06 4.26 0.00 1.87 1.80 0.69 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 0.00 105 E 7.89 4.09 0.00 2.05 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 2.39 2.48 0.00 106 F 7.80 4.54 0.00 3.21 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.12 3.86 2.01 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 1.57 1.64 1.11 0.00 0.00 108 S 8.14 4.20 0.00 4.22 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 E 8.37 4.02 0.00 2.36 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 2.43 2.69 0.00 110 A 8.02 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.06 3.65 2.10 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 1.59 0.80 1.03 0.00 0.00 112 I 7.80 3.78 2.12 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 1.68 1.14 1.15 0.00 0.00 113 H 8.53 4.12 0.00 3.32 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.85 3.51 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 0.70 0.00 0.00 0.97 0.00 0.00 115 L 7.85 3.78 0.00 0.80 0.51 0.72 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.87 4.34 0.00 3.49 3.52 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.00 4.17 0.00 3.88 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 0.00 118 R 8.17 4.03 0.00 1.46 1.55 0.00 3.10 0.00 0.00 2.94 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 119 H 8.36 5.04 0.00 3.14 3.19 0.00 5.64 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 0.00 120 P 0.00 4.24 0.00 2.15 2.06 0.00 3.59 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 2.07 2.23 0.00 121 G 8.19 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 7.55 4.85 0.00 2.58 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 0.00 123 F 8.11 5.04 0.00 3.07 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 0.00 124 G 7.57 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 0.00 0.00 0.00 125 A 8.41 3.88 1.27 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 0.00 0.00 0.00 126 D 7.95 4.18 0.00 2.64 2.67 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 0.00 127 A 7.70 3.91 1.23 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 0.00 0.00 0.00 128 Q 7.75 3.27 0.00 1.20 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 129 G 8.04 3.47 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 0.00 130 A 8.02 3.85 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 0.00 131 M 8.38 4.02 0.00 2.38 2.38 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.89 0.00 132 N 8.57 4.33 0.00 2.88 2.93 0.00 0.00 7.24 6.19 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 0.00 133 K 8.18 3.84 0.00 1.91 1.64 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 134 A 7.79 3.79 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 0.00 135 L 8.11 4.12 0.00 1.77 1.83 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.41 4.00 0.00 2.23 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 0.00 2.34 2.48 0.00 137 L 7.94 3.95 0.00 1.93 2.00 0.98 1.17 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 0.00 138 F 8.33 4.15 0.00 3.14 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.21 3.42 0.00 1.96 1.83 0.00 3.17 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 140 K 8.23 3.82 0.00 1.88 2.02 0.00 1.48 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.48 7.81 141 D 8.29 4.33 0.00 2.73 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 0.00 142 I 7.72 3.45 1.11 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.80 0.25 0.00 0.00 143 A 7.81 3.64 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.83 3.93 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 0.00 145 K 7.93 4.14 0.00 1.97 1.97 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.64 7.81 146 Y 8.08 4.35 0.00 3.08 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 0.00 147 K 7.93 4.51 0.00 1.95 1.87 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.74 1.49 7.81 148 E 7.96 4.04 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 149 L 7.78 4.42 0.00 1.77 1.70 1.01 1.04 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 0.00 150 G 8.03 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 0.00 151 Y 8.24 4.47 0.00 2.50 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 0.00 152 Q 9.31 4.17 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 153 G 7.01 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