NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3358 8.3031 124.0310 55.1203 33.4587 175.1315 3 G 3.7809 8.6792 111.9357 43.5336 0.0000 171.5164 4 D 4.4990 8.6425 120.0649 54.1105 42.4886 175.7139 5 K 4.0101 8.8125 125.8858 59.4881 32.2492 179.3182 6 K 4.1439 8.0984 118.4885 58.8752 32.0195 179.1842 7 V 3.6647 8.2275 118.8505 66.3126 31.4065 177.9170 8 I 3.7365 7.7596 119.2844 64.7829 36.8761 178.4812 9 Q 3.9780 7.9404 118.3115 59.0714 28.4246 178.3364 10 H 4.1111 8.4523 117.6129 58.8794 28.7959 177.7191 11 L 4.0037 8.4922 120.9382 58.1012 41.4571 179.4574 12 N 4.3636 8.5536 116.6731 56.0310 38.3819 177.5015 13 K 3.9307 8.2394 121.3178 59.5234 32.3631 178.8867 14 I 3.7050 8.0429 120.4364 64.3731 36.9607 178.1398 15 L 4.0748 8.1758 121.2433 58.0460 42.0179 179.1610 16 G 3.6623 8.2004 105.7846 48.0110 0.0000 175.4080 17 N 4.3800 8.1962 118.8709 56.0867 38.1530 177.4361 18 E 4.1628 8.2291 120.0446 59.3436 29.0698 179.4291 19 L 4.0361 8.3331 119.5642 57.6230 41.6780 179.4483 20 I 3.6212 7.6309 119.3352 64.4141 36.9991 178.3025 21 A 3.2932 7.7949 121.3853 54.7962 18.0921 179.3499 22 I 3.6274 7.9061 118.6919 65.0699 37.2615 178.4064 23 N 4.4104 7.8025 116.2559 56.1245 38.3210 177.4776 24 Q 3.8205 8.4290 121.3646 59.5381 29.2244 177.9879 25 Y 4.6977 7.9688 119.3187 60.5715 37.8173 178.3134 26 F 3.9463 8.4288 121.8517 61.0302 39.4149 177.0679 27 L 4.0240 8.1571 120.1691 58.3623 41.8387 178.6250 28 H 3.8164 8.3040 116.3395 58.5937 28.5981 177.4615 29 S 4.3300 8.5143 115.3679 61.8959 62.1538 176.6988 30 R 3.9448 7.8112 120.0395 58.9322 29.7348 179.0372 31 M 3.4892 7.9365 119.2448 57.7916 31.7282 178.6711 32 W 4.4934 7.9389 119.1798 59.8670 29.2324 178.3407 33 N 4.3517 8.3329 116.4288 56.3091 37.7730 176.6234 34 D 4.3652 7.8798 118.3852 57.4219 41.3368 178.1387 35 W 4.8149 7.9198 115.9394 57.2751 29.1356 177.2561 36 G 4.0098 8.4064 108.1796 45.6968 0.0000 174.0200 37 L 4.8889 8.0870 122.3353 53.3896 40.2491 177.4544 38 K 4.0784 8.6351 121.9315 58.8152 32.3408 178.9903 39 R 3.8808 7.9090 119.4281 59.1400 29.9165 178.4433 40 L 3.7789 7.7527 118.4802 57.5231 41.5785 179.3230 41 G 3.8587 8.2463 105.4857 47.9447 0.0000 175.4691 42 A 3.9942 8.2239 123.7460 54.9891 18.4452 179.0016 43 H 3.9137 8.4247 117.0328 59.6254 29.4086 177.0838 44 E 4.0132 8.6110 121.1746 59.1055 29.3731 177.9879 45 Y 3.9584 8.1423 119.8265 61.1299 38.7631 177.9579 46 H 3.9500 7.9720 116.7525 58.7433 28.7290 177.7074 47 E 3.7951 8.0241 120.4553 59.2505 29.2432 179.0934 48 S 4.2354 8.1250 113.1307 61.6851 62.4442 176.2792 49 I 3.5889 7.6928 122.5353 64.5648 36.8161 178.0992 50 D 4.2834 8.3249 119.9242 57.4953 40.5213 178.8280 51 E 4.3348 8.1787 120.2227 58.8772 29.3934 179.3248 52 M 4.0544 7.9486 119.1630 58.2122 32.0187 178.8479 53 K 3.9757 8.0002 118.7127 59.7451 32.2088 179.1862 54 H 4.2609 8.2048 116.2951 58.7178 28.5443 177.4749 55 A 4.0105 8.2832 122.9065 55.3087 18.1478 179.1087 56 D 4.2581 8.2190 116.2419 57.6270 41.3533 178.6187 57 K 3.9675 8.0272 118.8474 59.5525 31.9753 179.3613 58 L 4.0637 8.0752 119.2620 57.6721 41.5480 179.5546 59 I 3.7185 8.1142 120.1464 64.4100 37.0422 178.2684 60 E 4.0004 8.3103 119.4017 59.4043 29.2354 179.4731 61 R 3.9964 8.0687 118.5809 59.5999 30.1353 178.5411 62 I 3.7374 7.9448 119.6314 64.4683 37.0779 178.4855 63 L 3.9906 8.0932 119.7812 57.7514 41.2373 179.2987 64 F 4.2749 8.2730 119.7239 61.1466 39.5978 176.4727 65 L 3.8572 8.2700 117.0323 54.9481 41.2346 177.6605 66 E 3.8482 7.8808 119.2354 56.1957 28.6459 174.1569 67 G 3.8673 7.8911 106.6422 44.0394 0.0000 173.5944 68 L 4.4613 8.0136 119.1644 52.2184 41.6887 175.2432 69 P 4.3857 0.0000 0.0000 62.3715 31.8278 176.3802 70 N 4.6367 9.2883 122.4584 52.5409 37.9580 174.1350 71 L 4.5505 8.2079 123.4560 54.4293 42.3925 177.5006 72 Q 4.0850 8.3073 121.5249 57.7110 29.3875 175.5039 73 D 4.6636 8.1379 117.8380 52.6388 41.5177 175.1852 74 L 4.5536 8.3254 126.6519 52.8555 43.7225 176.7877 75 G 3.8441 8.3174 115.7594 44.6504 0.0000 171.5747 76 K 4.1522 8.3396 120.7416 55.5336 32.7098 177.0531 77 L 4.0637 8.4031 126.7952 54.5321 42.1555 176.8491 78 L 4.4020 9.0744 124.9267 53.4478 40.8795 175.3933 79 I 4.3449 8.0630 124.4648 59.3809 38.4380 176.5898 80 G 3.9909 8.7331 114.4184 45.1080 0.0000 172.9998 81 E 4.6476 8.7472 118.1393 56.2422 30.4060 175.9443 82 N 4.8792 7.6734 116.1442 50.8557 41.2855 175.1415 83 T 4.4413 8.6118 116.7548 67.3218 68.5423 176.6702 84 Q 4.0277 8.1688 119.1420 59.1382 28.8055 178.7085 85 E 4.0340 8.5861 119.5481 59.6388 29.4991 179.3560 86 M 3.9614 8.4366 119.0244 58.3703 31.9044 178.8500 87 L 4.2273 8.3762 119.2927 57.7771 41.7535 179.4088 88 Q 3.9593 8.2394 119.6268 59.3733 29.0414 177.8172 89 C 4.1815 8.7263 118.1133 63.1432 28.1734 175.9496 90 D 4.6652 8.4259 120.3500 57.2757 40.3200 178.6584 91 L 3.9655 8.1803 121.0061 58.1740 42.1367 178.5765 92 N 4.3105 8.5991 116.9158 56.3208 38.4541 176.8779 93 L 3.9635 8.0926 121.5000 58.5458 42.1483 179.0492 94 E 4.1062 8.3546 118.3062 59.3062 29.2037 179.3309 95 L 4.0249 8.3490 119.5992 57.5425 41.6743 179.4874 96 K 3.9669 8.1971 119.5236 59.3822 32.1672 178.7311 97 A 4.0445 8.4182 121.5237 55.5689 18.2777 179.8150 98 T 3.8579 8.1584 114.3019 66.5155 68.5379 176.8468 99 K 3.9325 7.8184 121.6240 59.7755 32.1551 178.6257 100 D 4.4242 8.0410 118.6216 57.1023 40.6150 178.7732 101 L 3.9730 8.1128 119.6356 57.8517 41.6662 179.5750 102 R 3.9193 8.0575 117.9144 59.4966 29.9236 178.9651 103 E 3.9531 8.2820 117.9223 59.3983 29.4249 179.3617 104 A 3.6030 8.1898 120.9099 54.9828 18.3182 179.8047 105 I 3.6418 7.9982 118.5892 64.3151 37.1611 178.4765 106 V 3.5764 7.7140 119.2487 66.5779 31.2720 177.6401 107 H 4.1006 7.9548 117.3929 59.4203 29.7247 176.9133 108 C 4.0207 8.2187 118.6417 62.6292 27.9293 175.5586 109 E 3.9319 8.4530 121.2260 59.4866 29.0028 178.6406 110 Q 3.9806 7.7363 117.9083 58.8065 29.1205 177.8767 111 V 3.9442 7.1239 109.9120 60.6398 31.8389 175.6851 112 H 2.9870 7.5025 114.1334 57.0120 26.6673 176.3143 113 D 4.4934 7.3889 120.9749 53.6558 38.5019 175.6680 114 Y 4.3522 7.4892 121.5236 60.0914 38.4938 177.3827 115 V 3.6729 7.8638 119.2383 66.0939 31.7006 178.0755 116 S 4.1776 8.3569 114.9167 61.3656 62.6426 176.4966 117 R 3.8760 8.0423 121.4860 59.5963 29.9869 177.8776 118 D 4.3523 8.2069 117.6520 57.3348 41.2291 177.9798 119 L 3.9626 8.0097 120.5931 58.3824 42.0414 179.0860 120 L 4.0584 8.1800 118.9356 57.5053 41.5402 179.3526 121 K 3.9410 8.7301 120.0872 59.4450 32.1757 178.7093 122 D 4.3788 8.0634 119.0916 57.3445 40.6948 178.7433 123 I 3.5767 7.6204 119.9168 64.0263 37.0129 178.1467 124 L 3.9236 8.1954 121.5686 58.0923 41.8535 178.6053 125 E 3.9118 8.2088 119.1397 59.4936 29.6867 178.6651 126 S 4.3790 7.8464 113.9206 61.0104 62.3400 176.0627 127 E 4.2247 8.4655 121.4797 59.3882 29.1173 179.1461 128 E 4.0287 8.7536 119.2465 59.3891 29.5395 179.1751 129 E 4.0121 8.5271 118.8689 59.5082 29.3575 178.9431 130 H 4.4757 8.2307 118.3326 59.2358 29.8983 177.2249 131 I 3.6908 8.0211 121.8155 64.5127 36.9397 177.6920 132 D 4.3195 8.3935 118.9072 57.5969 41.0198 177.6250 133 Y 4.0311 8.2085 119.8234 60.6886 38.7653 178.1812 134 L 3.7474 8.3458 119.9509 57.9376 41.7623 179.1755 135 E 3.9154 8.7669 118.8165 59.9009 29.3241 179.7529 136 T 3.7775 7.9750 115.5941 66.7112 68.5169 176.7797 137 Q 3.7649 7.7058 119.9381 58.6651 28.5066 178.7440 138 L 3.8683 7.7444 120.1714 57.7364 41.5914 179.8065 139 G 3.5670 8.1191 105.6871 47.8467 0.0000 175.7560 140 L 4.0025 7.9468 121.3666 57.3676 41.7042 179.5947 141 I 3.5568 7.4159 119.9431 64.3289 36.7463 178.4538 142 Q 3.9599 7.4488 117.7963 58.9794 28.6458 178.7479 143 K 4.1331 8.1753 118.5005 58.8251 32.2329 178.9841 144 V 4.2099 8.3192 110.2805 59.9594 33.2311 177.1018 145 G 4.0041 7.6801 105.6734 45.4912 0.0000 174.1739 146 L 3.9557 8.6972 123.1490 58.3410 42.0100 179.4974 147 E 3.9765 8.1756 117.7671 59.3921 29.3214 178.9875 148 N 4.3080 8.1189 116.0930 56.3805 38.4876 176.6231 149 Y 3.9062 7.7876 119.5761 60.7762 39.2736 177.8068 150 L 4.0426 8.3098 120.1570 57.6783 41.8028 179.1826 151 Q 3.9280 8.2006 119.7240 59.3396 28.8201 178.3258 152 S 4.3129 8.1128 113.8546 60.1725 63.0590 174.4453 153 H 4.6604 7.6228 118.3526 55.6293 29.7784 175.7574 154 M 4.1564 8.0362 120.9460 57.9304 31.9182 176.0456 155 H 5.1319 7.6050 114.0398 53.7977 30.5415 175.0267 156 E 4.1235 8.8401 121.7304 56.9639 29.2412 176.9680 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 2 K 8.30 4.34 0.00 1.56 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.03 7.81 3 G 8.68 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 0.00 0.00 0.00 4 D 8.64 4.50 0.00 2.80 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 5 K 8.81 4.01 0.00 1.84 1.77 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.50 7.81 6 K 8.10 4.14 0.00 1.90 1.55 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.43 7.81 7 V 8.23 3.66 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 0.88 0.00 0.00 0.98 0.00 0.00 8 I 7.76 3.74 2.00 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 1.52 0.63 0.90 0.00 0.00 9 Q 7.94 3.98 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 10 H 8.45 4.11 0.00 3.33 3.35 0.00 5.63 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 11 L 8.49 4.00 0.00 1.81 1.74 0.96 0.69 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 12 N 8.55 4.36 0.00 2.83 2.86 0.00 0.00 6.71 7.39 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 13 K 8.24 3.93 0.00 1.86 1.96 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.04 3.71 2.00 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 1.71 1.05 0.92 0.00 0.00 15 L 8.18 4.07 0.00 1.77 1.90 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.20 3.66 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 0.00 0.00 0.00 17 N 8.20 4.38 0.00 2.94 2.88 0.00 0.00 7.05 7.82 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 18 E 8.23 4.16 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 2.56 2.52 0.00 19 L 8.33 4.04 0.00 1.78 1.68 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.63 3.62 1.96 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 1.41 0.63 0.90 0.00 0.00 21 A 7.79 3.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.91 3.63 1.97 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 1.52 0.82 0.90 0.00 0.00 23 N 7.80 4.41 0.00 2.77 2.83 0.00 0.00 6.77 7.38 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 24 Q 8.43 3.82 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 25 Y 7.97 4.70 0.00 3.05 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 26 F 8.43 3.95 0.00 3.31 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 27 L 8.16 4.02 0.00 1.84 1.64 0.88 1.06 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 28 H 8.30 3.82 0.00 3.47 2.75 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.51 4.33 0.00 3.85 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 30 R 7.81 3.94 0.00 1.90 1.90 0.00 2.99 0.00 0.00 2.64 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 31 M 7.94 3.49 0.00 0.81 1.50 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.19 0.00 32 W 7.94 4.49 0.00 3.69 3.32 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 33 N 8.33 4.35 0.00 2.89 2.85 0.00 0.00 6.65 7.36 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 34 D 7.88 4.37 0.00 2.57 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.92 4.81 0.00 3.73 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 36 G 8.41 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 0.00 0.00 0.00 37 L 8.09 4.89 0.00 2.10 1.64 1.27 1.25 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 38 K 8.64 4.08 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.59 7.81 39 R 7.91 3.88 0.00 2.05 1.92 0.00 2.98 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 40 L 7.75 3.78 0.00 1.32 0.19 0.32 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.25 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.22 3.99 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 43 H 8.42 3.91 0.00 3.29 3.27 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.61 4.01 0.00 2.55 2.29 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 2.77 2.69 0.00 45 Y 8.14 3.96 0.00 3.00 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 46 H 7.97 3.95 0.00 3.31 3.25 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.02 3.80 0.00 1.94 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 0.00 2.18 2.10 0.00 48 S 8.12 4.24 0.00 4.07 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 49 I 7.69 3.59 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.22 0.84 0.00 0.00 50 D 8.32 4.28 0.00 2.73 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 51 E 8.18 4.33 0.00 2.20 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 2.73 2.57 0.00 52 M 7.95 4.05 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 53 K 8.00 3.98 0.00 1.88 1.81 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 54 H 8.20 4.26 0.00 3.50 3.32 0.00 5.65 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 55 A 8.28 4.01 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 56 D 8.22 4.26 0.00 2.90 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 57 K 8.03 3.97 0.00 1.90 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.51 7.81 58 L 8.08 4.06 0.00 1.89 1.73 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.11 3.72 2.02 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 1.53 1.06 0.92 0.00 0.00 60 E 8.31 4.00 0.00 2.16 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 2.35 2.53 0.00 61 R 8.07 4.00 0.00 2.09 2.12 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 62 I 7.94 3.74 2.04 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 1.54 0.64 0.96 0.00 0.00 63 L 8.09 3.99 0.00 2.06 1.77 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.27 4.27 0.00 2.98 3.27 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 65 L 8.27 3.86 0.00 1.80 1.61 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.88 3.85 0.00 1.97 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 0.00 2.11 2.22 0.00 67 G 7.89 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 0.00 0.00 0.00 68 L 8.01 4.46 0.00 1.63 1.63 0.91 1.00 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 69 P 0.00 4.39 0.00 2.04 1.98 0.00 3.66 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 2.03 2.08 0.00 70 N 9.29 4.64 0.00 2.61 2.86 0.00 0.00 7.11 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 71 L 8.21 4.55 0.00 1.63 1.64 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.31 4.08 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.14 4.66 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.33 4.55 0.00 1.53 1.52 0.88 1.07 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 75 G 8.32 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.34 4.15 0.00 1.70 1.72 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.51 7.81 77 L 8.40 4.06 0.00 1.63 1.55 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 L 9.07 4.40 0.00 1.71 1.68 1.01 0.87 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 79 I 8.06 4.34 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.78 0.90 0.00 0.00 80 G 8.73 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 81 E 8.75 4.65 0.00 2.02 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 2.31 2.26 0.00 82 N 7.67 4.88 0.00 2.84 2.81 0.00 0.00 6.22 7.22 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 83 T 8.61 4.44 4.48 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 1.56 0.00 0.00 84 Q 8.17 4.03 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 85 E 8.59 4.03 0.00 2.22 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 2.35 2.51 0.00 86 M 8.44 3.96 0.00 1.32 2.20 0.00 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.13 0.00 87 L 8.38 4.23 0.00 1.90 1.76 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.24 3.96 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.73 4.18 0.00 3.25 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 90 D 8.43 4.67 0.00 3.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.18 3.97 0.00 1.88 1.88 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.60 4.31 0.00 2.92 2.89 0.00 0.00 6.69 6.48 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 93 L 8.09 3.96 0.00 1.97 1.98 0.91 0.82 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 94 E 8.35 4.11 0.00 2.22 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 2.64 2.46 0.00 95 L 8.35 4.02 0.00 1.84 1.74 0.94 0.75 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 96 K 8.20 3.97 0.00 1.90 1.96 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.42 4.04 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 98 T 8.16 3.86 4.56 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 1.23 0.00 0.00 99 K 7.82 3.93 0.00 1.81 1.99 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 8.04 4.42 0.00 2.90 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 0.00 101 L 8.11 3.97 0.00 1.94 1.72 0.93 0.84 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 0.00 102 R 8.06 3.92 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 103 E 8.28 3.95 0.00 2.18 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 2.34 2.50 0.00 104 A 8.19 3.60 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 0.00 105 I 8.00 3.64 2.01 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 1.42 0.79 0.93 0.00 0.00 106 V 7.71 3.58 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 1.00 0.00 0.00 1.00 0.00 0.00 107 H 7.95 4.10 0.00 3.22 3.33 0.00 5.84 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 0.00 108 C 8.22 4.02 0.00 3.00 3.16 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 0.00 109 E 8.45 3.93 0.00 2.19 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 0.00 2.38 2.47 0.00 110 Q 7.74 3.98 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 111 V 7.12 3.94 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 0.62 0.00 0.00 0.83 0.00 0.00 112 H 7.50 2.99 0.00 3.14 3.16 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.39 4.49 0.00 2.63 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 0.00 114 Y 7.49 4.35 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.86 3.67 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 1.08 0.00 0.00 0.99 0.00 0.00 116 S 8.36 4.18 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 0.00 117 R 8.04 3.88 0.00 1.94 2.19 0.00 3.19 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 118 D 8.21 4.35 0.00 3.05 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.01 3.96 0.00 1.79 1.85 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.18 4.06 0.00 1.91 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.73 3.94 0.00 1.87 1.98 0.00 1.64 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 1.45 1.50 7.81 122 D 8.06 4.38 0.00 2.96 2.71 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 0.00 123 I 7.62 3.58 1.95 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 1.20 0.73 0.79 0.00 0.00 124 L 8.20 3.92 0.00 1.87 1.88 0.98 1.14 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 0.00 125 E 8.21 3.91 0.00 2.11 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 2.33 2.34 0.00 126 S 7.85 4.38 0.00 4.03 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.47 4.22 0.00 2.05 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 0.00 2.58 2.52 0.00 128 E 8.75 4.03 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 129 E 8.53 4.01 0.00 2.20 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 2.37 2.54 0.00 130 H 8.23 4.48 0.00 3.36 3.66 0.00 5.62 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 0.00 131 I 8.02 3.69 2.07 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 1.44 0.86 0.93 0.00 0.00 132 D 8.39 4.32 0.00 2.81 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 0.00 133 Y 8.21 4.03 0.00 3.20 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.35 3.75 0.00 2.01 1.67 1.07 0.89 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 0.00 135 E 8.77 3.92 0.00 1.94 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 2.32 2.51 0.00 136 T 7.98 3.78 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 1.16 0.00 0.00 137 Q 7.71 3.76 0.00 1.72 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 1.37 1.97 0.00 138 L 7.74 3.87 0.00 1.73 1.62 0.82 0.92 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 0.00 139 G 8.12 3.57 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 0.00 0.00 0.00 140 L 7.95 4.00 0.00 1.80 1.87 1.01 0.79 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 0.00 141 I 7.42 3.56 1.76 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.06 0.80 0.00 0.00 142 Q 7.45 3.96 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 143 K 8.18 4.13 0.00 1.70 1.87 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 144 V 8.32 4.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.11 0.00 0.00 145 G 7.68 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 0.00 0.00 0.00 146 L 8.70 3.96 0.00 1.77 1.70 0.96 0.98 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 0.00 147 E 8.18 3.98 0.00 2.06 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 2.40 2.40 0.00 148 N 8.12 4.31 0.00 3.06 2.88 0.00 0.00 6.78 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 0.00 149 Y 7.79 3.91 0.00 3.01 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.31 4.04 0.00 1.73 1.72 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.20 3.93 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 152 S 8.11 4.31 0.00 3.79 3.66 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 0.00 153 H 7.62 4.66 0.00 2.94 3.04 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.04 4.16 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.44 0.00 155 H 7.60 5.13 0.00 3.10 3.15 0.00 5.73 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 0.00 156 E 8.84 4.12 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00