NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3813 8.2493 123.5827 51.8973 19.1341 177.4846 2 P 4.4528 0.0000 0.0000 61.2635 31.5591 171.4561 3 V 4.4809 8.2551 120.2557 62.6364 35.8546 174.3377 4 R 4.6864 8.4603 117.3233 54.8372 33.1102 175.8628 5 S 4.8029 8.7042 119.9797 57.3165 64.9398 174.2142 6 L 4.5072 9.0075 120.9829 53.3342 45.2472 175.6987 7 N 4.9989 8.7652 122.9651 53.2837 39.8618 174.2188 8 C 4.9414 8.7190 116.1062 57.7249 33.4584 173.7652 9 T 5.0772 8.2775 112.0323 60.7478 70.3096 173.0511 10 L 5.1984 8.4620 119.6280 53.2039 45.7521 176.2041 11 R 5.2399 9.3627 122.0793 54.3230 34.6084 175.2955 12 D 4.4596 8.9811 122.9307 52.3414 40.5077 177.1279 13 S 4.2568 8.0620 112.5129 59.8302 63.1538 174.3883 14 Q 4.1908 8.0656 121.1669 55.6982 29.5492 173.9987 15 Q 3.6549 8.1613 114.9260 57.0393 26.9118 172.6988 16 K 4.7477 9.1906 118.1193 55.0091 37.5405 177.8197 17 S 5.3234 8.5686 118.3484 57.1473 66.3199 172.7119 18 L 5.2015 7.9954 120.7275 53.5719 43.8619 176.5502 19 V 4.6052 8.9469 115.8370 59.7804 36.1599 175.3398 20 M 4.5534 8.5657 121.8785 54.3404 29.8406 175.9441 21 S 4.2178 8.3310 120.9959 60.5602 63.1328 173.2908 22 G 4.1248 7.6103 106.7583 44.0905 0.0000 170.9495 23 P 3.9998 0.0000 0.0000 65.0243 31.2601 178.5826 24 Y 4.8667 7.2529 114.7180 57.6007 39.0439 175.7438 25 E 4.7317 7.9268 118.3493 54.7049 33.6519 174.6615 26 L 5.3334 8.4659 122.4386 52.9592 45.7831 175.4452 27 K 5.1081 9.3411 119.6315 54.7289 36.6341 175.1591 28 A 5.3618 8.4474 126.3663 50.3370 20.7618 175.7120 29 L 4.5718 8.3945 121.5226 54.9054 44.7960 174.8340 30 H 4.5070 8.6797 116.4570 55.7183 29.0766 175.1237 31 L 4.7048 8.2531 124.7744 53.3953 44.6539 174.9748 32 Q 4.3947 8.6742 125.0265 56.0995 32.0716 174.1031 33 G 3.9404 8.5912 109.3085 45.0456 0.0000 174.1888 34 Q 4.2349 8.5543 116.5795 58.5357 28.5110 178.3269 35 D 4.6159 7.9446 117.7469 55.4013 41.3270 177.1882 36 M 4.1541 8.5829 118.2911 58.8353 30.9747 177.8290 37 E 4.0939 7.6909 117.8204 58.5234 29.4696 177.1288 38 Q 4.4553 7.7506 118.7021 55.9597 29.0386 175.0153 39 Q 4.4622 7.6998 116.3994 54.5779 30.1299 175.6077 40 V 3.8943 7.6601 121.6475 62.2704 33.1251 175.1180 41 V 4.1751 7.4319 121.6648 61.1559 34.8650 174.6811 42 F 4.4980 8.5226 125.9034 56.2132 42.1004 174.8567 43 S 4.8901 8.5180 113.7285 56.5534 63.9685 172.1415 44 M 4.4508 9.0267 127.4705 55.2711 33.5425 174.9380 45 S 4.7982 8.4735 120.2893 56.5372 67.0971 173.2074 46 F 4.5359 8.2284 123.1291 57.9862 39.0363 175.0781 47 V 4.6806 8.1612 118.4248 59.5728 34.6560 174.8537 48 Q 4.4197 8.5512 122.4346 55.6906 30.1180 176.6135 49 G 3.9863 7.9618 110.4670 46.1181 0.0000 173.2398 50 E 4.1993 8.7412 116.6516 56.7062 26.8098 175.6877 51 E 4.1913 8.0773 120.5978 56.2609 28.7465 176.7952 52 S 4.6889 7.8336 125.7663 57.6036 63.5058 173.5827 53 N 4.5898 8.8077 114.3258 55.3827 39.2476 176.0190 54 D 4.9675 7.9249 114.4825 53.6396 43.5096 175.7304 55 K 4.4098 7.9844 119.6557 55.6495 33.9078 175.7955 56 I 4.7176 8.3414 125.7758 58.2740 38.9766 171.9717 57 P 4.8991 0.0000 0.0000 63.1184 32.5382 175.7740 58 V 5.0934 8.6436 117.0069 60.2573 36.6505 173.4947 59 A 5.1062 8.4211 122.1073 50.5363 22.4224 175.9120 60 L 4.2443 8.7590 123.6657 53.5517 43.0955 175.8648 61 G 3.3842 8.1218 111.6086 43.2842 0.0000 171.0802 62 L 3.9014 8.0506 125.1114 55.2331 41.6772 177.1310 63 K 3.8245 8.3083 126.2801 59.7546 32.6240 177.7404 64 E 3.9744 8.0444 117.7336 59.3108 29.5485 178.1590 65 K 4.4217 7.5893 115.5919 55.5658 33.7163 176.0614 66 N 5.1185 8.3681 114.8783 52.7364 37.9428 173.7214 67 L 4.7231 7.8130 118.7679 55.1049 43.8639 175.4003 68 Y 4.9946 8.6159 120.8411 55.7003 40.3290 175.4308 69 L 4.6315 8.3041 124.5108 55.7636 43.3850 176.5146 70 S 5.2485 9.0908 115.3456 57.5317 66.8592 172.7642 71 C 5.1097 8.5326 120.8333 58.9559 28.9231 173.3503 72 V 4.6982 8.3999 116.5197 59.3350 35.6068 174.8521 73 L 4.3319 8.4341 122.7981 53.9622 42.5647 177.6770 74 K 4.2886 8.6694 124.1691 54.4253 32.2067 175.3605 75 D 4.3031 7.9886 125.8231 55.2292 37.0103 175.5553 76 D 4.3233 8.0472 114.1329 54.4405 39.0258 173.9989 77 K 4.1537 7.0191 120.4472 53.6238 33.8125 173.6852 78 P 4.0739 0.0000 0.0000 63.5458 31.9907 175.7483 79 T 4.6776 8.4073 117.9829 62.7966 73.8485 171.9059 80 L 5.0114 8.4270 124.5352 53.9757 43.9441 175.0471 81 Q 4.7182 8.7487 124.4722 55.1462 33.2402 172.5684 82 L 4.9980 8.5688 123.6056 53.3173 43.5846 175.4609 83 E 4.6548 8.7594 124.7411 54.1257 32.3169 174.9575 84 S 4.6494 8.9584 123.6375 59.3049 63.3990 174.3220 85 V 4.1382 7.7055 120.5072 59.5243 34.3902 174.8693 86 D 4.4741 8.7101 121.3193 53.9523 40.9927 175.4293 87 P 4.5907 0.0000 0.0000 64.3929 31.4403 177.1751 88 K 4.3667 7.8820 117.2417 58.2985 33.6456 177.4400 89 N 4.3716 8.7083 115.7052 54.2962 38.9699 175.2302 90 Y 4.4255 6.9141 116.8875 55.6489 39.5692 174.3761 91 P 4.7729 0.0000 0.0000 63.1483 33.3315 174.2536 92 K 4.3379 7.9248 116.0200 56.5864 34.9261 175.0877 93 K 4.0550 8.6426 119.1607 59.1469 32.2335 176.3734 94 K 4.7875 7.7286 117.7297 55.3043 33.7074 174.9038 95 M 5.1019 8.0775 121.8433 53.5960 36.4139 174.8852 96 E 4.2442 9.0185 120.0571 55.9663 30.4902 178.3419 97 K 3.7018 8.6829 121.4493 59.8094 32.6401 179.5615 98 R 3.4249 7.6404 117.2560 59.2648 30.0552 177.8984 99 F 5.1730 7.3764 113.9793 57.4325 40.2293 175.1261 100 V 4.4696 7.3679 120.9736 61.5298 33.2474 174.4567 101 F 5.0292 8.8032 126.6246 55.5719 41.9669 174.5059 102 N 4.5345 8.9877 122.4003 52.8177 39.1975 174.6014 103 K 4.0180 8.9485 127.4367 56.2457 33.1248 175.8790 104 I 5.0298 8.2798 128.5165 58.9074 40.4048 174.7551 105 E 5.1601 8.0333 121.8254 54.8143 31.9263 175.9745 106 I 4.5324 8.7842 125.3271 60.8859 41.2333 175.2696 107 N 4.1444 9.6601 120.8674 54.7952 36.0373 173.8371 108 N 4.2760 8.3612 107.9279 54.2274 36.7374 174.3762 109 K 4.8110 8.3563 115.8953 54.7275 37.0835 175.2545 110 L 5.0993 8.3298 120.6758 53.4324 44.7643 175.9400 111 E 4.7815 8.4879 120.6394 55.0165 34.0163 174.4738 112 F 5.1583 9.1228 124.2897 56.3333 40.6912 174.3627 113 E 4.8221 8.7993 125.5817 54.2881 32.0220 174.9207 114 S 3.9293 8.8896 121.5040 58.2432 62.5035 174.1915 115 A 3.9599 7.9092 130.6510 55.0398 18.1235 178.6865 116 Q 3.4511 7.4912 115.5135 58.2181 29.1501 176.6308 117 F 4.7701 6.7931 122.7493 54.5762 38.8828 173.6151 118 P 4.7606 0.0000 0.0000 63.1768 31.7681 177.0070 119 N 4.6000 8.8681 116.0331 53.7081 37.0285 174.3036 120 W 4.6839 7.5464 118.5961 55.2736 31.3880 175.0171 121 Y 5.8667 8.5884 121.7848 55.1900 41.4069 174.4113 122 I 4.2212 8.5652 120.5367 61.2419 38.4710 175.8248 123 S 5.1067 8.8334 122.3208 56.9466 67.5831 172.9103 124 T 4.9040 8.3412 110.3986 59.9379 72.1554 172.9744 125 S 4.6390 8.7496 117.2624 57.1670 63.0802 174.5315 126 Q 3.8739 9.0393 129.2676 59.0455 28.7739 176.7186 127 A 4.1484 7.2599 118.7475 52.2431 18.8652 176.1565 128 E 4.3457 8.5273 118.5252 56.6825 30.6104 176.2662 129 N 4.1506 8.7745 119.4582 54.5017 36.6713 172.0125 130 M 5.0808 7.6208 119.0777 51.9550 37.0573 172.5242 131 P 5.1597 0.0000 0.0000 62.5765 32.0807 176.3551 132 V 4.2368 8.5143 122.3108 63.5006 32.8739 174.2162 133 F 4.8633 8.1078 118.2006 56.4646 41.7219 171.8413 134 L 5.0857 8.9510 121.1737 53.7565 43.2567 175.7586 135 G 4.5703 9.3612 112.9498 43.8839 0.0000 173.2538 136 G 2.9014 7.9868 111.6433 44.4208 0.0000 175.9121 137 T 4.2390 7.1421 113.8015 60.9511 70.2199 174.3819 138 K 3.9357 8.2784 125.4324 57.3020 32.0218 178.7491 139 G 3.9231 7.7418 118.7929 44.5468 0.0000 176.2075 140 G 3.7863 8.5655 114.3726 46.6243 0.0000 174.5240 141 Q 4.3551 8.9050 123.6497 56.7471 30.1759 175.1871 142 D 4.4797 7.8934 117.2541 54.0329 41.6286 176.2541 143 I 3.9988 8.1003 125.5738 60.8411 36.1181 176.3641 144 T 4.5071 8.3381 115.7901 62.0975 69.7006 175.2093 145 D 4.8672 7.6323 120.7780 53.8915 40.8693 174.9795 146 F 4.7272 8.6046 116.2633 57.3023 44.3713 173.2757 147 T 4.8532 9.3520 110.1534 61.3478 71.3444 173.0844 148 M 4.9891 8.8672 126.4243 54.5375 34.6235 175.3518 149 Q 4.6433 8.5507 121.4659 54.1802 32.7987 174.8599 150 F 4.3327 9.4523 123.1236 58.1819 39.9270 175.4763 151 V 4.5092 8.0051 112.9464 60.6604 35.2074 174.5278 152 S 4.8305 8.3190 114.6199 58.1278 66.9536 174.3813 153 S 4.1741 8.3261 116.3728 59.1815 63.6837 174.3824 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 A 8.25 4.38 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 2 P 0.00 4.45 0.00 2.29 2.16 0.00 3.72 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 1.99 2.01 0.00 3 V 8.26 4.48 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 1.01 0.00 0.00 4 R 8.46 4.69 0.00 1.98 1.93 0.00 3.23 0.00 0.00 3.42 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 5 S 8.70 4.80 0.00 3.76 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 6 L 9.01 4.51 0.00 1.41 1.19 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.77 5.00 0.00 2.65 2.70 0.00 0.00 6.58 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 8 C 8.72 4.94 0.00 2.90 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 9 T 8.28 5.08 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 10 L 8.46 5.20 0.00 1.32 1.33 -0.27 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.36 5.24 0.00 1.76 1.82 0.00 3.16 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 12 D 8.98 4.46 0.00 2.41 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 13 S 8.06 4.26 0.00 3.93 4.04 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 14 Q 8.07 4.19 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.29 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 15 Q 8.16 3.65 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.45 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 16 K 9.19 4.75 0.00 1.65 1.61 0.00 1.36 0.00 0.00 1.35 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 1.63 7.81 17 S 8.57 5.32 0.00 3.79 3.81 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 18 L 8.00 5.20 0.00 1.99 1.70 0.79 1.11 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 19 V 8.95 4.61 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 0.88 0.00 0.00 0.98 0.00 0.00 20 M 8.57 4.55 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 21 S 8.33 4.22 0.00 3.86 3.93 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 22 G 7.61 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 23 P 0.00 4.00 0.00 0.93 1.60 0.00 3.59 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 24 Y 7.25 4.87 0.00 3.01 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 25 E 7.93 4.73 0.00 1.99 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 0.00 2.35 2.40 0.00 26 L 8.47 5.33 0.00 1.62 1.59 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.34 5.11 0.00 1.63 1.67 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.40 7.81 28 A 8.45 5.36 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 29 L 8.39 4.57 0.00 1.78 1.86 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.68 4.51 0.00 3.15 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.25 4.70 0.00 1.54 1.51 0.98 0.75 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 32 Q 8.67 4.39 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 33 G 8.59 3.94 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 0.00 0.00 0.00 34 Q 8.55 4.23 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 35 D 7.94 4.62 0.00 2.71 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 36 M 8.58 4.15 0.00 2.36 2.44 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 37 E 7.69 4.09 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 38 Q 7.75 4.46 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 39 Q 7.70 4.46 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 40 V 7.66 3.89 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 0.06 0.00 0.00 0.79 0.00 0.00 41 V 7.43 4.18 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.82 0.00 0.00 42 F 8.52 4.50 0.00 2.98 2.77 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 0.00 0.00 0.00 43 S 8.52 4.89 0.00 3.77 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 44 M 9.03 4.45 0.00 1.77 1.68 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.06 0.00 45 S 8.47 4.80 0.00 3.82 3.72 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 46 F 8.23 4.54 0.00 3.10 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 47 V 8.16 4.68 2.36 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 0.84 0.00 0.00 1.11 0.00 0.00 48 Q 8.55 4.42 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 49 G 7.96 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 50 E 8.74 4.20 0.00 1.98 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 2.31 2.29 0.00 51 E 8.08 4.19 0.00 1.95 1.92 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 2.30 2.32 0.00 52 S 7.83 4.69 0.00 3.90 3.72 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 53 N 8.81 4.59 0.00 2.70 2.82 0.00 0.00 6.61 8.47 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 54 D 7.92 4.97 0.00 2.68 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 55 K 7.98 4.41 0.00 1.74 1.77 0.00 1.62 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.49 7.81 56 I 8.34 4.72 2.11 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 1.28 0.80 1.18 0.00 0.00 57 P 0.00 4.90 0.00 2.16 2.04 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 58 V 8.64 5.09 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 1.19 0.00 0.00 1.15 0.00 0.00 59 A 8.42 5.11 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 60 L 8.76 4.24 0.00 1.17 1.24 -0.16 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.12 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.05 3.90 0.00 1.41 1.46 0.83 0.73 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 63 K 8.31 3.82 0.00 1.57 1.69 0.00 1.94 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.37 7.81 64 E 8.04 3.97 0.00 1.90 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 2.26 2.25 0.00 65 K 7.59 4.42 0.00 1.68 1.73 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.32 7.81 66 N 8.37 5.12 0.00 2.99 3.08 0.00 0.00 5.96 6.72 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 67 L 7.81 4.72 0.00 1.62 1.71 0.88 1.05 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 68 Y 8.62 4.99 0.00 2.67 2.84 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 69 L 8.30 4.63 0.00 1.37 1.47 0.94 0.58 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 70 S 9.09 5.25 0.00 3.66 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 71 C 8.53 5.11 0.00 2.88 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 72 V 8.40 4.70 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 0.82 0.00 0.00 0.92 0.00 0.00 73 L 8.43 4.33 0.00 1.41 1.38 0.81 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.67 4.29 0.00 1.57 1.67 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.30 7.81 75 D 7.99 4.30 0.00 2.83 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 76 D 8.05 4.32 0.00 2.76 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 77 K 7.02 4.15 0.00 1.79 1.52 0.00 1.46 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.26 7.81 78 P 0.00 4.07 0.00 0.97 0.77 0.00 2.74 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.71 0.00 79 T 8.41 4.68 4.21 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 1.28 0.00 0.00 80 L 8.43 5.01 0.00 1.80 1.64 1.04 0.59 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 81 Q 8.75 4.72 0.00 2.20 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 82 L 8.57 5.00 0.00 1.82 1.76 1.02 0.87 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 83 E 8.76 4.65 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 2.31 2.34 0.00 84 S 8.96 4.65 0.00 3.88 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 85 V 7.71 4.14 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 -0.06 0.00 0.00 0.11 0.00 0.00 86 D 8.71 4.47 0.00 2.84 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 87 P 0.00 4.59 0.00 2.29 2.20 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 88 K 7.88 4.37 0.00 1.90 1.85 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.50 7.81 89 N 8.71 4.37 0.00 2.22 2.51 0.00 0.00 6.94 7.14 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 90 Y 6.91 4.43 0.00 2.88 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 0.00 0.00 0.00 0.00 91 P 0.00 4.77 0.00 2.29 2.32 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 92 K 7.92 4.34 0.00 1.79 1.69 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.21 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.19 1.55 7.81 93 K 8.64 4.06 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.47 7.81 94 K 7.73 4.79 0.00 1.77 1.70 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.48 7.81 95 M 8.08 5.10 0.00 2.21 2.02 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 2.65 2.64 0.00 96 E 9.02 4.24 0.00 1.94 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.70 0.00 97 K 8.68 3.70 0.00 1.64 1.57 0.00 1.48 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.48 7.81 98 R 7.64 3.42 0.00 0.67 1.47 0.00 2.79 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.21 0.00 99 F 7.38 5.17 0.00 3.06 3.12 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 0.00 100 V 7.37 4.47 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 0.94 0.00 0.00 1.03 0.00 0.00 101 F 8.80 5.03 0.00 3.10 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 0.00 102 N 8.99 4.53 0.00 2.77 2.85 0.00 0.00 6.27 7.06 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 0.00 103 K 8.95 4.02 0.00 1.91 2.00 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.21 7.81 104 I 8.28 5.03 1.84 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 2.03 0.92 0.00 0.00 105 E 8.03 5.16 0.00 1.85 1.83 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 2.22 2.23 0.00 106 I 8.78 4.53 1.82 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 1.27 0.68 0.87 0.00 0.00 107 N 9.66 4.14 0.00 2.76 2.83 0.00 0.00 7.03 7.98 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 0.00 108 N 8.36 4.28 0.00 2.84 2.90 0.00 0.00 6.96 7.61 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 0.00 109 K 8.36 4.81 0.00 1.71 1.62 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.50 7.81 110 L 8.33 5.10 0.00 1.64 1.19 1.05 1.14 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 0.00 111 E 8.49 4.78 0.00 1.79 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 2.12 2.20 0.00 112 F 9.12 5.16 0.00 3.03 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 0.00 113 E 8.80 4.82 0.00 2.19 1.81 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 1.98 1.47 0.00 114 S 8.89 3.93 0.00 3.97 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 0.00 115 A 7.91 3.96 1.18 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 0.00 0.00 116 Q 7.49 3.45 0.00 1.32 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.76 0.00 117 F 6.79 4.77 0.00 3.03 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 0.00 118 P 0.00 4.76 0.00 2.06 2.10 0.00 3.85 0.00 0.00 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 119 N 8.87 4.60 0.00 2.83 3.03 0.00 0.00 7.22 7.72 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 0.00 120 W 7.55 4.68 0.00 3.44 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 0.00 121 Y 8.59 5.87 0.00 3.02 3.20 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 0.00 122 I 8.57 4.22 1.88 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.73 0.00 0.00 123 S 8.83 5.11 0.00 3.31 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.34 4.90 4.29 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 1.40 0.00 0.00 125 S 8.75 4.64 0.00 4.05 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 0.00 126 Q 9.04 3.87 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 127 A 7.26 4.15 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 0.00 128 E 8.53 4.35 0.00 2.00 1.92 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 2.34 2.32 0.00 129 N 8.77 4.15 0.00 2.81 2.81 0.00 0.00 6.86 7.67 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 0.00 130 M 7.62 5.08 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 131 P 0.00 5.16 0.00 2.17 2.13 0.00 3.41 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.85 0.00 132 V 8.51 4.24 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 0.80 0.00 0.00 1.02 0.00 0.00 133 F 8.11 4.86 0.00 3.17 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 0.00 134 L 8.95 5.09 0.00 1.82 1.79 1.18 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.36 4.57 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 0.00 136 G 7.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.14 4.24 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 1.19 0.00 0.00 138 K 8.28 3.94 0.00 1.68 1.68 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.49 7.81 139 G 7.74 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 0.00 140 G 8.57 3.79 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 0.00 141 Q 8.90 4.36 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 142 D 7.89 4.48 0.00 2.76 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 0.00 143 I 8.10 4.00 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.80 0.73 0.00 0.00 144 T 8.34 4.51 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 1.24 0.00 0.00 145 D 7.63 4.87 0.00 2.62 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 0.00 146 F 8.60 4.73 0.00 3.19 3.10 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 0.00 147 T 9.35 4.85 4.32 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 1.24 0.00 0.00 148 M 8.87 4.99 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 149 Q 8.55 4.64 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 150 F 9.45 4.33 0.00 2.87 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 0.00 151 V 8.01 4.51 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 0.89 0.00 0.00 0.96 0.00 0.00 152 S 8.32 4.83 0.00 3.81 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 0.00 153 S 8.33 4.17 0.00 3.80 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00