NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4250 8.3044 120.3286 54.5676 33.4605 174.5441 2 E 3.7522 8.4047 121.0526 55.3247 30.1254 174.7706 3 A 4.0059 8.7342 128.1226 52.8180 19.8151 177.0688 4 L 3.9494 8.4742 123.6485 56.5475 42.4132 178.0953 5 G 3.9927 9.8342 104.3399 44.7597 0.0000 172.2635 6 A 4.7491 7.2064 118.7289 50.7745 22.5709 175.4641 7 D 4.7328 9.0541 120.4619 53.2973 42.5483 175.8154 8 V 4.5832 8.4172 123.2071 61.4520 33.8055 175.1059 9 T 4.4306 7.8579 124.8282 61.8080 68.8636 174.4182 10 Q 3.8797 8.7677 125.3778 56.7870 29.0326 177.4761 11 G 4.1214 8.9943 109.4156 45.9282 0.0000 172.7289 12 L 5.0854 8.1615 119.9440 52.8657 46.4230 175.1491 13 E 5.0478 8.8880 119.6406 53.8931 34.5018 175.1251 14 K 4.0965 8.4462 122.3142 58.2537 32.4257 176.8708 15 G 4.0242 9.8087 115.7974 45.1714 0.0000 174.0494 16 S 4.3000 7.9740 116.0785 58.7661 64.1777 173.2638 17 L 5.2094 8.4227 123.0218 53.1607 43.2935 175.7042 18 I 4.7291 9.0830 117.0777 58.9713 41.8679 174.5772 19 T 4.3293 8.4875 119.1378 63.5528 69.7243 174.1160 20 C 4.8319 8.3149 126.1954 57.1341 31.7525 174.2250 21 A 4.5181 8.2660 135.0000 50.9115 16.5569 174.9942 22 D 5.0306 7.7198 119.1375 53.1391 42.2517 175.1422 23 N 5.0292 8.4210 115.9210 53.1143 37.6190 175.7712 24 T 3.9524 8.3082 111.4475 63.8973 69.4674 175.2546 25 G 3.9677 8.3847 109.2847 45.0845 0.0000 172.8223 26 A 4.7524 7.3546 122.5130 51.3779 20.0901 176.9823 27 R 4.4659 9.1993 121.7861 56.9826 32.6514 176.2414 28 E 5.0592 7.9962 118.4311 54.2155 33.2928 174.4529 29 L 5.1997 9.1908 125.8736 52.7708 45.6565 175.0733 30 K 4.8639 8.6423 123.9563 54.4230 34.2653 175.3144 31 V 3.9134 8.8572 128.7760 63.4903 31.9142 175.8249 32 I 4.3239 8.5601 128.5337 62.9430 38.7088 175.9438 33 S 4.7102 7.7518 115.1978 57.2519 68.2441 173.0210 34 V 4.5778 8.1551 120.5834 61.0051 33.8559 174.4253 35 H 4.2641 9.1014 128.6416 57.5885 30.1067 175.8099 36 G 3.8942 8.4809 113.0446 46.0040 0.0000 172.9280 37 Y 4.3528 7.6030 120.2907 56.9207 39.6563 174.7627 38 S 4.2900 7.0590 119.6328 56.9583 66.0889 173.1658 39 G 4.0663 7.9357 120.0996 45.2819 0.0000 173.5621 40 T 4.5277 8.1810 118.5507 59.6795 70.3871 172.3065 41 K 3.8160 8.5062 124.7304 58.3887 32.1238 176.6740 42 N 4.4265 8.9469 121.3988 53.4878 36.9059 174.2055 43 R 4.1739 7.9869 119.6375 55.4492 30.7362 175.6723 44 L 4.2584 8.4450 125.9955 53.3624 42.5385 174.8936 45 P 4.4793 0.0000 0.0000 63.3619 31.8986 175.2226 46 K 5.0925 7.8485 122.0972 55.0807 35.3116 175.1144 47 A 4.7442 9.1406 122.7670 50.9289 23.3596 175.6228 48 G 4.2031 9.1191 105.4790 44.8967 0.0000 171.6033 49 L 4.1277 8.1792 119.1206 56.8171 41.8356 178.0348 50 G 4.1660 8.8886 112.4073 45.3430 0.0000 173.5345 51 D 4.7036 8.0217 119.7302 54.1049 42.3242 175.3403 52 K 4.9277 8.7005 123.1981 55.3493 34.1614 175.2537 53 I 5.1143 8.8241 119.8573 59.5956 41.8131 173.8871 54 T 4.9123 8.7093 119.8883 62.3565 70.6098 174.1996 55 V 5.0886 9.4444 125.6612 61.2435 36.1377 173.8057 56 S 5.1417 8.5658 117.0564 56.2821 66.4798 173.4339 57 V 4.1516 8.3500 123.0903 63.2168 31.5989 176.5578 58 T 4.1074 8.7724 125.8826 65.7047 69.2640 175.7477 59 K 4.5595 9.0275 119.4092 53.9043 36.2355 177.5171 60 G 3.7300 8.3725 109.7164 45.0749 0.0000 172.7085 61 T 4.0364 7.7576 111.0883 60.8765 70.4354 173.1060 62 P 4.1958 0.0000 0.0000 66.3422 31.5174 178.4449 63 E 4.0956 8.1108 115.0549 59.3649 29.6596 178.7510 64 M 4.1979 7.6144 117.3682 56.5784 32.4294 176.7201 65 R 4.0473 7.6991 117.6297 58.1494 30.4397 176.7990 66 R 4.1070 8.9373 122.9364 56.5079 29.6228 176.7267 67 Q 4.1482 7.9272 117.9486 55.8420 30.0338 175.5181 68 V 4.4143 8.2956 123.2740 61.8133 32.4685 174.5943 69 L 4.9260 9.0419 127.5070 52.9643 46.5793 174.8690 70 E 4.9147 8.5272 119.8300 55.2913 31.9068 174.3490 71 A 4.9558 9.0411 126.3348 50.8554 23.8712 174.7505 72 V 4.5839 8.1761 117.5319 61.0980 35.0121 174.7309 73 V 4.0858 8.5487 128.4836 63.0110 32.1613 176.2540 74 V 4.2381 8.9829 127.5006 63.3230 34.1301 175.2510 75 R 4.1487 7.4739 117.7533 54.5475 34.8687 173.9754 76 Q 4.9839 8.1525 118.0577 55.3055 31.4127 175.7403 77 R 4.2989 9.5792 120.5817 58.5351 30.4699 177.7658 78 K 4.2148 7.8586 118.4793 55.5771 31.4734 175.3673 79 P 4.9030 0.0000 0.0000 62.7958 32.8319 175.0571 80 I 4.9243 8.5064 114.5204 59.2136 41.5880 173.8407 81 R 5.0190 9.0608 123.5427 54.8114 32.4535 175.1179 82 R 4.7944 8.6027 124.6740 53.9282 32.2367 175.5878 83 P 4.1114 0.0000 0.0000 65.9739 31.3958 177.0271 84 D 4.5817 8.0387 114.5103 53.3096 39.5930 176.4573 85 G 4.0680 8.7015 110.0138 45.8550 0.0000 174.6889 86 T 4.0424 7.6920 116.5139 63.8674 69.4408 173.9725 87 R 5.0475 8.4569 123.9551 55.0356 32.3595 175.9219 88 V 4.5060 8.6418 121.6389 60.9958 34.6950 174.4513 89 K 4.9427 8.3459 125.2541 55.4198 35.9947 175.1742 90 F 4.7202 8.7165 119.7333 55.6189 41.7088 176.5967 91 E 4.1106 9.0252 120.4760 58.9034 29.6810 175.1390 92 D 4.8293 7.7429 115.5183 52.3621 43.0137 173.6886 93 N 5.2651 8.6765 114.4919 51.8030 41.2060 174.0791 94 A 5.2075 8.7998 123.7340 50.7875 23.4008 174.7112 95 A 5.0454 8.9803 120.8254 50.2033 23.8275 175.1239 96 V 4.5958 8.4074 118.8341 60.7246 34.4936 175.1865 97 I 4.3221 8.3800 129.0117 61.7860 38.0491 175.5264 98 V 4.8830 8.6426 125.2147 60.3498 34.8270 175.0246 99 D 4.7432 8.6809 122.2159 52.1140 41.6964 176.4294 100 E 3.8683 8.8197 117.4417 59.9977 29.3280 177.8730 101 N 4.6375 9.3463 114.2390 52.9359 38.6386 175.1154 102 E 3.7583 8.3011 116.8040 57.2147 27.5138 173.7651 103 D 4.8888 8.1594 118.0719 51.2383 42.3057 174.3883 104 P 4.6743 0.0000 0.0000 62.8369 31.9023 176.6264 105 R 3.9156 8.3851 122.1181 59.0065 30.1950 176.9757 106 G 3.9603 7.7467 105.6573 45.2440 0.0000 172.6124 107 T 4.4104 9.1792 114.6861 63.9108 69.8460 175.1529 108 E 4.8350 8.0806 119.0804 54.5038 34.0673 174.6282 109 L 4.9574 8.5036 121.3558 53.2097 44.2846 175.8985 110 K 4.4265 8.7820 121.4250 55.8277 34.2990 177.5413 111 G 3.9541 9.0313 110.7960 44.0598 0.0000 170.4889 112 P 4.8842 0.0000 0.0000 62.7165 32.5883 175.5925 113 I 4.7165 8.5566 119.5424 59.3034 41.8314 174.7758 114 A 4.9607 8.0919 125.8656 51.5682 19.4316 178.8001 115 R 3.8904 9.7699 120.9097 59.7673 29.2944 179.0367 116 E 3.9478 8.3234 118.7210 59.3063 29.3770 179.5723 117 V 3.6404 7.7993 117.2378 65.7828 31.4964 177.5555 118 A 4.0236 7.8271 119.6042 55.2972 18.2817 179.0205 119 Q 4.0269 8.2205 117.0074 59.4070 29.2264 178.2880 120 R 3.9582 7.5262 117.7596 57.7915 31.1405 176.3975 121 F 4.8129 8.0715 120.2211 54.9355 39.1936 176.1016 122 G 3.7326 8.6316 112.1979 47.8954 0.0000 172.7216 123 S 4.7275 8.1019 118.1602 60.2068 62.6279 176.6252 124 V 3.5934 7.7869 120.6729 65.7252 31.7277 177.3004 125 A 4.2181 8.0631 120.8066 54.8929 18.6850 180.0963 126 S 4.6392 8.7290 113.8750 57.8701 62.8205 175.4041 127 A 4.5846 7.6559 121.5020 53.5676 23.7019 177.3475 128 A 4.2989 8.2152 119.0577 52.4515 19.1164 177.2646 129 T 4.4196 8.4032 115.8352 64.3527 70.5270 175.3277 130 M 4.8324 7.8220 120.1962 53.4271 35.8914 174.6668 131 I 4.8911 8.5687 123.9343 59.6471 40.0511 175.7089 132 V 4.0463 9.1480 127.2012 62.8586 31.5620 175.4511 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 4.42 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 2 E 8.40 3.75 0.00 1.94 1.75 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 2.24 2.33 0.00 3 A 8.73 4.01 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 4 L 8.47 3.95 0.00 1.61 1.70 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.83 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 0.00 0.00 0.00 6 A 7.21 4.75 1.22 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 0.00 0.00 0.00 7 D 9.05 4.73 0.00 2.61 2.61 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 8 V 8.42 4.58 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.96 0.00 0.00 9 T 7.86 4.43 4.39 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 1.22 0.00 0.00 10 Q 8.77 3.88 0.00 1.88 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 11 G 8.99 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.16 5.09 0.00 1.66 1.48 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.89 5.05 0.00 1.83 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 2.18 2.20 0.00 14 K 8.45 4.10 0.00 1.71 1.71 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.58 7.81 15 G 9.81 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.97 4.30 0.00 3.83 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 17 L 8.42 5.21 0.00 1.50 1.71 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 I 9.08 4.73 2.00 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 1.35 0.94 0.89 0.00 0.00 19 T 8.49 4.33 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 1.19 0.00 0.00 20 C 8.31 4.83 0.00 2.96 3.01 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 21 A 8.27 4.52 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 22 D 7.72 5.03 0.00 2.79 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.42 5.03 0.00 2.81 2.89 0.00 0.00 5.94 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 24 T 8.31 3.95 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 1.24 0.00 0.00 25 G 8.38 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 26 A 7.35 4.75 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 27 R 9.20 4.47 0.00 1.83 1.95 0.00 3.06 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 28 E 8.00 5.06 0.00 1.98 1.80 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 2.24 2.43 0.00 29 L 9.19 5.20 0.00 1.52 1.48 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.64 4.86 0.00 1.80 1.75 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.34 7.81 31 V 8.86 3.91 2.21 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 0.84 0.00 0.00 0.94 0.00 0.00 32 I 8.56 4.32 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.90 0.91 0.00 0.00 33 S 7.75 4.71 0.00 3.74 3.73 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 34 V 8.16 4.58 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 0.96 0.00 0.00 0.84 0.00 0.00 35 H 9.10 4.26 0.00 3.20 3.32 0.00 6.11 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.48 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.60 4.35 0.00 2.96 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 38 S 7.06 4.29 0.00 3.66 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 39 G 7.94 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.18 4.53 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 1.23 0.00 0.00 41 K 8.51 3.82 0.00 1.75 1.75 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 8.95 4.43 0.00 2.94 2.99 0.00 0.00 7.07 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 43 R 7.99 4.17 0.00 1.80 2.04 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 44 L 8.44 4.26 0.00 1.68 1.60 1.02 1.14 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 45 P 0.00 4.48 0.00 2.07 2.39 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 46 K 7.85 5.09 0.00 1.71 1.70 0.00 1.50 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.00 1.18 7.81 47 A 9.14 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.12 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.18 4.13 0.00 1.70 1.71 1.04 0.94 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 50 G 8.89 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 51 D 8.02 4.70 0.00 2.76 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.70 4.93 0.00 1.92 1.71 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.75 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.38 1.49 7.81 53 I 8.82 5.11 1.96 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 1.18 0.69 0.89 0.00 0.00 54 T 8.71 4.91 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 1.27 0.00 0.00 55 V 9.44 5.09 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 1.06 0.00 0.00 0.90 0.00 0.00 56 S 8.57 5.14 0.00 3.90 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 57 V 8.35 4.15 2.30 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 0.95 0.00 0.00 0.95 0.00 0.00 58 T 8.77 4.11 4.35 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 1.35 0.00 0.00 59 K 9.03 4.56 0.00 1.64 1.63 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.40 7.81 60 G 8.37 3.73 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 0.00 0.00 0.00 61 T 7.76 4.04 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 62 P 0.00 4.20 0.00 2.03 2.19 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 63 E 8.11 4.10 0.00 1.93 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 2.31 2.34 0.00 64 M 7.61 4.20 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.67 0.00 65 R 7.70 4.05 0.00 1.82 2.08 0.00 3.33 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 66 R 8.94 4.11 0.00 1.98 2.11 0.00 3.21 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 Q 7.93 4.15 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 68 V 8.30 4.41 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 0.79 0.00 0.00 0.93 0.00 0.00 69 L 9.04 4.93 0.00 1.51 1.48 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.53 4.91 0.00 2.00 1.95 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 2.22 2.26 0.00 71 A 9.04 4.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.18 4.58 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 0.78 0.00 0.00 -0.09 0.00 0.00 73 V 8.55 4.09 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 0.84 0.00 0.00 0.93 0.00 0.00 74 V 8.98 4.24 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 0.78 0.00 0.00 0.93 0.00 0.00 75 R 7.47 4.15 0.00 1.50 1.25 0.00 3.13 0.00 0.00 3.56 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.34 0.00 76 Q 8.15 4.98 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 77 R 9.58 4.30 0.00 1.80 2.06 0.00 3.14 0.00 0.00 3.03 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 78 K 7.86 4.21 0.00 1.77 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.55 7.81 79 P 0.00 4.90 0.00 2.12 1.95 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 80 I 8.51 4.92 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 0.99 0.00 0.00 81 R 9.06 5.02 0.00 1.85 1.80 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 82 R 8.60 4.79 0.00 1.81 1.81 0.00 3.21 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 83 P 0.00 4.11 0.00 2.03 2.16 0.00 3.67 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 2.04 2.16 0.00 84 D 8.04 4.58 0.00 2.78 2.76 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 85 G 8.70 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.69 4.04 4.34 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 1.19 0.00 0.00 87 R 8.46 5.05 0.00 1.67 1.83 0.00 3.31 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 88 V 8.64 4.51 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 0.72 0.00 0.00 0.89 0.00 0.00 89 K 8.35 4.94 0.00 1.94 1.69 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.40 7.81 90 F 8.72 4.72 0.00 3.32 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 91 E 9.03 4.11 0.00 1.98 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 2.32 2.26 0.00 92 D 7.74 4.83 0.00 2.67 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 93 N 8.68 5.27 0.00 2.62 2.71 0.00 0.00 6.50 7.44 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 94 A 8.80 5.21 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 95 A 8.98 5.05 1.14 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 0.00 0.00 96 V 8.41 4.60 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 0.91 0.00 0.00 0.87 0.00 0.00 97 I 8.38 4.32 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.92 0.87 0.00 0.00 98 V 8.64 4.88 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 0.51 0.00 0.00 0.86 0.00 0.00 99 D 8.68 4.74 0.00 2.89 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 0.00 100 E 8.82 3.87 0.00 1.97 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 2.32 2.35 0.00 101 N 9.35 4.64 0.00 2.84 2.85 0.00 0.00 7.14 7.54 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 0.00 102 E 8.30 3.76 0.00 2.21 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 2.23 2.31 0.00 103 D 8.16 4.89 0.00 2.94 2.56 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 0.00 0.00 0.00 0.00 104 P 0.00 4.67 0.00 2.15 2.02 0.00 3.76 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 1.97 1.94 0.00 105 R 8.39 3.92 0.00 1.80 1.96 0.00 3.23 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 106 G 7.75 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 0.00 0.00 0.00 107 T 9.18 4.41 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 1.21 0.00 0.00 108 E 8.08 4.83 0.00 1.85 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 109 L 8.50 4.96 0.00 1.51 1.56 1.00 0.81 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 0.00 110 K 8.78 4.43 0.00 1.57 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.34 7.81 111 G 9.03 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 0.00 112 P 0.00 4.88 0.00 2.28 2.16 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 113 I 8.56 4.72 1.89 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 1.11 0.75 0.91 0.00 0.00 114 A 8.09 4.96 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 9.77 3.89 0.00 1.98 2.26 0.00 2.82 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 116 E 8.32 3.95 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 2.43 2.47 0.00 117 V 7.80 3.64 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 1.39 0.00 0.00 1.01 0.00 0.00 118 A 7.83 4.02 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 0.00 119 Q 8.22 4.03 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 120 R 7.53 3.96 0.00 1.55 1.67 0.00 2.84 0.00 0.00 2.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 121 F 8.07 4.81 0.00 3.18 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 0.00 122 G 8.63 3.73 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 0.00 0.00 0.00 123 S 8.10 4.73 0.00 4.07 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 0.00 124 V 7.79 3.59 2.39 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 0.87 0.00 0.00 0.85 0.00 0.00 125 A 8.06 4.22 1.45 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 0.00 126 S 8.73 4.64 0.00 4.02 4.10 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 0.00 127 A 7.66 4.58 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 0.00 128 A 8.22 4.30 1.28 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 0.00 0.00 129 T 8.40 4.42 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 1.22 0.00 0.00 130 M 7.82 4.83 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 131 I 8.57 4.89 1.90 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 1.26 0.64 0.97 0.00 0.00 132 V 9.15 4.05 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 0.88 0.00 0.00 1.01 0.00 0.00