NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4288 8.3049 120.3497 54.9649 32.2346 174.5427 2 L 4.1959 8.0665 125.1210 52.1993 42.7191 175.5806 3 K 4.2527 8.7850 122.0300 57.0215 34.5332 175.1106 4 Q 4.8341 8.6777 124.0796 55.3955 30.3360 174.7895 5 V 4.7995 8.6125 124.6803 61.3487 35.9921 173.3351 6 E 4.9526 9.2476 125.2811 54.5237 32.5165 175.0451 7 I 4.9823 8.3471 124.6455 59.4152 41.0473 174.3318 8 F 5.3884 9.2951 125.6581 55.9250 41.7684 174.6427 9 T 5.3357 8.8861 112.3793 60.6388 72.2745 172.6663 10 D 4.7355 9.0814 120.2624 53.3948 45.2601 174.1577 11 G 4.5651 8.8830 112.1310 44.5523 0.0000 172.1913 12 S 4.9557 9.1783 117.8278 56.6788 66.3504 172.1887 13 C 5.1102 8.4635 124.2597 58.2513 34.2807 173.5058 14 L 4.4287 9.0211 125.1663 54.8855 41.7514 176.4301 15 G 4.1105 7.3434 106.2311 45.6591 0.0000 173.1388 16 N 5.0610 8.1854 114.4434 52.0865 39.1407 172.6035 17 P 4.6498 0.0000 0.0000 61.3716 33.9659 175.5000 18 G 3.9945 8.2717 106.5865 45.1784 0.0000 170.6521 19 P 4.9240 0.0000 0.0000 62.8113 32.4948 176.0538 20 G 4.3322 9.2123 109.0273 46.2414 0.0000 171.6787 21 G 4.7081 8.9661 106.7154 45.6693 0.0000 171.7659 22 Y 5.5258 8.2052 117.9017 55.0920 41.7079 175.0107 23 G 4.7672 9.3622 106.9341 44.8773 0.0000 171.3906 24 A 5.5651 9.4450 124.8138 50.5868 23.4739 174.9504 25 I 5.0363 9.3359 121.5142 59.4715 40.8422 174.2341 26 L 5.0602 9.2979 129.8868 53.3768 44.2257 174.8691 27 R 4.6339 9.3606 127.3671 56.3235 32.2539 173.8436 28 Y 4.4169 8.9413 130.3612 58.1467 38.5180 176.3238 29 R 4.2343 8.2009 118.0163 54.4324 30.5601 173.3680 30 G 4.3271 8.2242 111.5143 45.6622 0.0000 173.0626 31 R 4.0176 7.6190 118.0746 56.4901 30.6609 174.9104 32 E 5.0519 8.4680 120.6351 54.4623 33.1698 174.7342 33 K 4.5938 9.0966 124.0380 54.8834 36.0888 175.2439 34 T 5.0741 8.2257 120.3336 61.7683 71.2586 173.6372 35 F 5.1685 8.9074 123.5119 55.8372 43.0530 174.1872 36 S 5.0259 8.9138 113.3659 58.6520 64.8190 175.3451 37 A 4.2941 6.8548 120.7790 51.0455 22.4423 175.2217 38 G 4.2332 8.2445 106.9370 44.5766 0.0000 171.7887 39 Y 5.3728 9.3821 121.0454 55.9010 40.7523 177.0437 40 T 3.9094 8.8233 113.9743 64.5350 70.2492 174.0068 41 R 4.4257 7.8951 122.1765 55.7009 32.5367 173.5664 42 T 4.1022 8.4248 122.4309 61.4068 71.0426 172.1693 43 T 4.7664 7.8298 108.8649 58.9860 72.1613 174.0853 44 N 4.2272 8.6208 120.4648 56.9315 39.0266 176.6988 45 N 4.0635 7.8797 117.2917 56.5060 38.4486 177.4411 46 R 3.8308 7.6881 119.1286 59.4149 30.0913 179.0923 47 M 4.0303 8.0452 118.4159 58.0915 31.8490 178.6676 48 A 4.0674 8.1945 121.1564 55.0329 18.4893 179.7288 49 L 3.7700 7.7315 117.1166 58.1733 41.6465 179.1218 50 M 3.6504 8.0876 118.1645 58.6458 31.8707 177.9880 51 A 3.6827 7.8599 120.3360 55.1892 18.5566 179.5622 52 A 3.9136 7.5331 118.6330 55.0504 18.4125 179.7765 53 I 3.5153 7.7780 118.5845 64.5426 37.0969 178.7288 54 V 3.2828 7.5942 118.7250 65.9138 31.1016 177.8805 55 A 3.1334 7.0537 118.7221 54.8607 18.4627 179.3387 56 L 3.9313 7.8597 117.5351 57.8660 41.5357 179.3745 57 E 4.0804 8.2423 116.9426 58.3196 29.4514 178.4399 58 A 4.1794 7.1859 119.9877 52.6394 19.0052 177.6656 59 L 4.0683 7.2682 118.2313 54.7684 42.1254 177.1743 60 K 4.4481 8.4618 121.1576 56.0464 32.6265 175.4735 61 E 4.5730 7.4241 115.5733 54.8191 32.1831 174.2600 62 H 4.3863 8.4919 117.2485 56.4911 29.1350 174.7692 63 C 5.0392 8.9708 119.6816 57.8512 33.2258 172.3789 64 E 4.8224 8.8952 121.7051 54.9816 30.6660 174.6448 65 V 4.6589 8.8088 127.8600 61.0010 34.5518 174.1647 66 I 4.2512 8.1446 128.4961 59.4261 39.2963 173.7708 67 L 4.4834 8.0313 133.2409 53.6314 43.3223 174.8651 68 S 5.2656 8.8833 122.2732 56.9572 64.8339 172.6305 69 T 5.2391 8.7658 119.9975 61.4409 70.8514 173.4473 70 D 5.3061 8.8535 124.8388 52.6673 40.6056 176.9319 71 S 4.2636 8.1729 116.6176 58.7142 63.1505 174.4258 72 Q 3.9442 8.7773 128.9751 59.0092 28.6565 177.7660 73 Y 4.2048 8.0919 120.1629 60.8559 38.8426 178.3313 74 V 3.7341 8.1071 119.0920 65.8643 31.6828 177.7531 75 R 2.0000 7.7428 118.3754 59.1182 29.7453 178.4521 76 Q 3.6784 7.4883 119.4418 58.0960 28.5554 179.3035 77 G 3.1930 7.7969 106.6906 47.5109 0.0000 176.0074 78 I 3.6647 7.4682 121.7000 64.0958 37.6936 178.0279 79 T 3.9833 7.7578 108.8467 62.8049 68.6072 175.9852 80 Q 3.8896 7.0945 118.0047 56.0756 31.6193 176.1105 81 W 4.1477 6.7285 114.7606 56.0268 31.8913 177.0924 82 I 3.5037 7.3834 118.9649 64.3739 37.1914 177.1207 83 H 3.9500 7.8835 118.0313 59.2943 29.8096 176.6017 84 N 4.1986 7.9001 117.6039 56.1538 38.4402 176.8784 85 W 4.2569 7.8549 120.5339 59.7437 29.0954 178.2814 86 K 2.5857 7.0381 118.3341 59.2853 31.3975 178.4580 87 A 3.9313 7.4199 119.2535 54.5948 18.2643 178.7039 88 R 4.5084 7.6536 115.3482 55.4339 30.6349 176.9380 89 G 3.7980 8.3548 105.5196 46.4736 0.0000 174.2822 90 W 3.5170 8.0628 116.4543 57.4810 27.1991 174.3541 91 K 5.0033 7.4050 114.0986 54.4622 35.0511 176.4909 92 T 4.2094 8.8408 111.8971 60.5550 70.2742 175.4039 93 A 3.9511 8.6307 123.8333 55.2440 18.4113 178.6356 94 D 4.7142 7.8302 113.8730 55.0730 39.9669 177.7169 95 K 3.8068 7.6120 112.9000 58.2731 29.9299 174.2052 96 K 4.7179 8.1967 117.7861 53.5855 37.4535 174.0828 97 P 4.6420 0.0000 0.0000 63.1528 31.6876 176.8937 98 V 3.6684 8.2137 117.4550 60.5921 32.7859 175.9122 99 K 3.9233 8.4894 123.9548 58.2588 32.7145 176.0041 100 N 4.4325 9.0396 120.8318 53.8061 36.5973 176.9456 101 V 3.6859 7.5733 120.3772 64.9075 30.9660 176.8346 102 D 4.2120 8.0005 119.2081 56.4902 39.0812 178.5994 103 L 3.9955 7.7311 120.0980 56.8206 41.6983 179.2657 104 W 4.2721 8.1816 119.0089 59.8528 29.0114 178.5708 105 Q 3.1136 7.8277 118.0379 58.5958 28.0441 178.8284 106 R 3.8140 7.5705 119.5903 59.2136 30.1233 178.3085 107 L 3.9497 8.2225 120.4711 58.3005 42.1862 178.2839 108 D 4.6803 8.8099 118.2190 57.4919 40.8921 178.2641 109 A 4.0383 8.0622 120.1445 55.1641 18.8339 179.1953 110 A 4.0996 8.1047 119.3643 55.2061 18.4179 179.8888 111 L 4.0954 8.7081 118.1182 57.8815 41.5804 179.7886 112 G 3.8308 8.1012 103.8378 47.0618 0.0000 175.0689 113 Q 4.2149 7.6829 118.8884 57.3893 29.0182 174.6206 114 H 4.9946 7.7520 115.1715 53.9328 33.5444 173.2977 115 Q 4.3333 9.0261 121.2478 55.1635 29.0505 173.9999 116 I 4.2658 8.0329 127.0476 60.2259 38.6952 175.6917 117 K 4.3356 9.0981 128.5824 54.0164 34.0237 174.9822 118 W 4.2415 8.5064 127.1937 56.3849 30.1394 176.0538 119 E 4.2068 8.9690 124.7414 54.1458 31.2011 174.3851 120 W 5.0230 8.3247 126.8668 55.6394 29.1590 175.8648 121 V 3.8961 8.6193 119.2867 60.7529 31.5354 178.0084 122 K 4.1170 9.2924 125.3473 57.8861 32.0413 177.2265 123 G 4.1641 7.8084 108.5775 45.2736 0.0000 173.3260 124 H 4.0298 8.9031 117.5702 58.6809 30.5850 180.1248 125 A 3.2955 7.6371 113.0860 51.4858 20.4086 178.6696 126 G 4.1458 8.9792 107.7769 45.1523 0.0000 175.5625 127 H 4.8111 8.4205 116.5050 51.9152 30.0734 172.9310 128 P 4.3537 0.0000 0.0000 65.8135 31.4174 177.6970 129 E 3.7521 7.7321 116.4641 59.1858 29.1206 179.0144 130 N 4.5131 7.9463 116.2260 56.2691 38.7443 177.1624 131 E 3.8222 8.3312 120.1250 59.3175 29.5048 179.3866 132 R 3.8890 8.0426 118.8156 59.5553 30.0376 178.4008 133 C 4.2255 8.0808 116.6908 62.7656 28.0395 175.4560 134 N 4.4895 8.4400 118.9529 56.8656 38.4075 176.8109 135 E 3.9631 8.1124 119.9203 59.3487 29.6898 179.2944 136 L 3.9680 8.1454 118.8802 57.6837 41.6347 179.5043 137 A 4.1309 8.3490 121.0238 55.1281 18.3482 179.7078 138 R 3.8030 8.3704 117.3867 59.4729 29.9630 178.4252 139 A 3.9614 8.1180 119.6019 55.1920 18.5663 179.1913 140 A 3.9921 7.9167 118.5255 55.2985 18.2736 179.7370 141 A 4.1497 7.9806 118.0458 55.2391 18.4956 178.8889 142 M 4.3143 7.7033 114.7972 55.8330 33.5456 176.0252 143 N 4.9833 8.1523 117.9152 51.4376 39.2688 172.7696 144 P 4.3387 0.0000 0.0000 63.2097 32.3311 176.7998 145 T 4.4601 8.2567 110.1786 60.7504 70.5024 173.0670 146 L 4.7081 7.6075 121.6894 52.7368 45.0822 174.4171 147 E 5.0109 8.4113 120.1187 54.6258 31.6064 176.1593 148 D 4.8503 8.6393 126.3228 52.9377 39.6657 176.1904 149 T 3.9454 8.3107 113.7721 63.8557 68.9978 176.2727 150 G 3.8074 7.5787 107.6435 45.4946 0.0000 172.9147 151 Y 4.3031 7.8176 122.3440 57.0088 38.7689 175.2230 152 Q 3.8242 8.2595 127.3886 54.4443 27.8844 175.3794 153 V 2.7523 7.7080 123.3966 63.1971 31.2281 175.3596 154 E 4.2528 8.2417 124.2347 55.1789 30.0427 176.8613 155 V 3.6976 7.7218 118.3062 62.2959 31.8761 172.7204 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 4.43 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 2 L 8.07 4.20 0.00 1.63 1.58 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.78 4.25 0.00 1.84 1.91 0.00 1.15 0.00 0.00 1.20 0.00 0.00 2.22 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.34 7.81 4 Q 8.68 4.83 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 5 V 8.61 4.80 2.00 0.00 0.00 0.00 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 6 E 9.25 4.95 0.00 1.92 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 7 I 8.35 4.98 1.63 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.84 0.83 0.00 0.00 8 F 9.30 5.39 0.00 2.99 2.96 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 9 T 8.89 5.34 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 1.31 0.00 0.00 10 D 9.08 4.74 0.00 2.94 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 11 G 8.88 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 12 S 9.18 4.96 0.00 3.89 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.46 5.11 0.00 2.93 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.02 4.43 0.00 1.64 1.68 0.92 0.70 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 15 G 7.34 4.11 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 0.00 16 N 8.19 5.06 0.00 2.66 2.68 0.00 0.00 6.88 7.69 0.00 0.00 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 P 0.00 4.65 0.00 2.06 1.92 0.00 3.97 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 18 G 8.27 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 19 P 0.00 4.92 0.00 2.09 2.01 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 20 G 9.21 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 0.00 0.00 0.00 0.00 21 G 8.97 4.71 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 22 Y 8.21 5.53 0.00 3.02 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 23 G 9.36 4.77 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 0.00 0.00 0.00 24 A 9.44 5.57 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 25 I 9.34 5.04 2.16 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 1.19 0.96 1.08 0.00 0.00 26 L 9.30 5.06 0.00 2.04 1.81 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.36 4.63 0.00 2.01 1.89 0.00 3.20 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 28 Y 8.94 4.42 0.00 2.85 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 29 R 8.20 4.23 0.00 0.67 1.22 0.00 2.96 0.00 0.00 3.06 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.35 0.00 30 G 8.22 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 0.00 0.00 0.00 0.00 31 R 7.62 4.02 0.00 1.92 1.93 0.00 3.24 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 32 E 8.47 5.05 0.00 1.94 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 33 K 9.10 4.59 0.00 1.67 1.28 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.41 7.81 34 T 8.23 5.07 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 1.20 0.00 0.00 35 F 8.91 5.17 0.00 3.10 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 36 S 8.91 5.03 0.00 3.77 3.77 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 37 A 6.85 4.29 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 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 0.00 0.00 0.00 0.00 39 Y 9.38 5.37 0.00 2.87 2.87 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 40 T 8.82 3.91 4.27 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 1.26 0.00 0.00 41 R 7.90 4.43 0.00 1.85 1.94 0.00 3.33 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 42 T 8.42 4.10 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 1.21 0.00 0.00 43 T 7.83 4.77 4.06 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 0.83 0.00 0.00 44 N 8.62 4.23 0.00 2.82 2.80 0.00 0.00 6.92 6.71 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 45 N 7.88 4.06 0.00 2.31 1.57 0.00 0.00 7.14 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 46 R 7.69 3.83 0.00 1.81 1.79 0.00 3.36 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 47 M 8.05 4.03 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.74 0.00 48 A 8.19 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.73 3.77 0.00 1.69 1.43 0.21 -0.45 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 50 M 8.09 3.65 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.48 0.00 51 A 7.86 3.68 1.56 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 0.00 0.00 52 A 7.53 3.91 1.43 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 0.00 0.00 0.00 53 I 7.78 3.52 1.83 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 1.33 0.62 0.81 0.00 0.00 54 V 7.59 3.28 1.61 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 0.75 0.00 0.00 0.63 0.00 0.00 55 A 7.05 3.13 1.21 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 0.00 0.00 56 L 7.86 3.93 0.00 1.80 1.65 0.83 0.55 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 57 E 8.24 4.08 0.00 1.79 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 2.29 2.47 0.00 58 A 7.19 4.18 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 59 L 7.27 4.07 0.00 1.74 1.57 0.52 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.46 4.45 0.00 1.69 1.79 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.34 7.81 61 E 7.42 4.57 0.00 1.96 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 2.08 2.25 0.00 62 H 8.49 4.39 0.00 3.05 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.97 5.04 0.00 2.73 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 64 E 8.90 4.82 0.00 2.01 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 2.17 2.19 0.00 65 V 8.81 4.66 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 0.61 0.00 0.00 0.71 0.00 0.00 66 I 8.14 4.25 1.73 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 0.89 1.37 0.81 0.00 0.00 67 L 8.03 4.48 0.00 0.94 0.66 -0.04 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.88 5.27 0.00 3.82 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 69 T 8.77 5.24 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 1.65 0.00 0.00 70 D 8.85 5.31 0.00 2.83 2.79 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 71 S 8.17 4.26 0.00 4.07 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 72 Q 8.78 3.94 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 73 Y 8.09 4.20 0.00 3.14 3.09 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 0.00 0.00 0.00 74 V 8.11 3.73 2.26 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 1.16 0.00 0.00 1.04 0.00 0.00 75 R 7.74 2.00 0.00 1.45 1.51 0.00 2.54 0.00 0.00 2.79 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 Q 7.49 3.68 0.00 1.89 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 77 G 7.80 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 0.00 0.00 0.00 78 I 7.47 3.66 1.52 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.28 0.67 0.00 0.00 79 T 7.76 3.98 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 80 Q 7.09 3.89 0.00 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.80 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 81 W 6.73 4.15 0.00 1.78 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 0.00 0.00 0.00 82 I 7.38 3.50 1.80 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.43 0.95 0.00 0.00 83 H 7.88 3.95 0.00 3.23 3.16 0.00 5.93 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 84 N 7.90 4.20 0.00 2.65 2.77 0.00 0.00 7.01 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 7.85 4.26 0.00 2.92 2.40 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 86 K 7.04 2.59 0.00 1.57 1.66 0.00 1.95 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.40 1.59 7.81 87 A 7.42 3.93 1.26 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 0.00 0.00 88 R 7.65 4.51 0.00 1.82 1.89 0.00 3.24 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 89 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.06 3.52 0.00 3.55 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 91 K 7.41 5.00 0.00 1.86 1.74 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.37 1.57 7.81 92 T 8.84 4.21 4.18 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 1.18 0.00 0.00 93 A 8.63 3.95 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 94 D 7.83 4.71 0.00 2.78 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 95 K 7.61 3.81 0.00 1.83 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.53 7.81 96 K 8.20 4.72 0.00 1.67 1.60 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.62 7.81 97 P 0.00 4.64 0.00 1.90 1.99 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 98 V 8.21 3.67 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 0.35 0.00 0.00 0.54 0.00 0.00 99 K 8.49 3.92 0.00 1.74 1.83 0.00 2.01 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.54 7.81 100 N 9.04 4.43 0.00 3.18 2.86 0.00 0.00 6.85 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.57 3.69 2.18 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 0.80 0.00 0.00 0.83 0.00 0.00 102 D 8.00 4.21 0.00 2.83 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 0.00 103 L 7.73 4.00 0.00 1.51 1.53 0.79 0.84 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 0.00 104 W 8.18 4.27 0.00 3.34 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 0.00 105 Q 7.83 3.11 0.00 1.74 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.57 3.81 0.00 1.86 1.99 0.00 3.04 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 107 L 8.22 3.95 0.00 1.84 1.97 1.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.81 4.68 0.00 3.30 3.14 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 0.00 109 A 8.06 4.04 1.38 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 0.00 110 A 8.10 4.10 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 0.00 111 L 8.71 4.10 0.00 1.96 1.86 1.35 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.10 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.68 4.21 0.00 2.20 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 114 H 7.75 4.99 0.00 2.93 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.03 4.33 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 116 I 8.03 4.27 1.72 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.79 -0.07 0.00 0.00 117 K 9.10 4.34 0.00 1.64 1.64 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.32 7.81 118 W 8.51 4.24 0.00 2.68 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 0.00 0.00 0.00 119 E 8.97 4.21 0.00 1.80 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 120 W 8.32 5.02 0.00 3.24 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 0.00 121 V 8.62 3.90 1.89 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 0.78 0.00 0.00 1.03 0.00 0.00 122 K 9.29 4.12 0.00 1.81 1.92 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.51 7.81 123 G 7.81 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 0.00 0.00 0.00 124 H 8.90 4.03 0.00 3.25 3.42 0.00 5.63 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 0.00 125 A 7.64 3.30 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 0.00 126 G 8.98 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.42 4.81 0.00 3.28 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.35 0.00 2.05 2.06 0.00 3.54 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 129 E 7.73 3.75 0.00 1.16 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 1.63 2.06 0.00 130 N 7.95 4.51 0.00 3.08 3.02 0.00 0.00 7.16 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 0.00 131 E 8.33 3.82 0.00 2.17 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 2.27 2.48 0.00 132 R 8.04 3.89 0.00 2.02 2.04 0.00 3.07 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 133 C 8.08 4.23 0.00 3.35 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 N 8.44 4.49 0.00 2.85 2.95 0.00 0.00 7.23 8.48 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 0.00 135 E 8.11 3.96 0.00 2.20 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 2.54 2.47 0.00 136 L 8.15 3.97 0.00 1.90 1.73 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.35 4.13 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.37 3.80 0.00 2.02 1.94 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 139 A 8.12 3.96 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 0.00 140 A 7.92 3.99 1.33 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 0.00 0.00 0.00 141 A 7.98 4.15 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 0.00 142 M 7.70 4.31 0.00 2.01 2.22 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 2.60 2.86 0.00 143 N 8.15 4.98 0.00 2.56 2.63 0.00 0.00 7.15 7.23 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 0.00 144 P 0.00 4.34 0.00 2.24 2.13 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 145 T 8.26 4.46 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 1.21 0.00 0.00 146 L 7.61 4.71 0.00 0.96 1.35 0.67 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.41 5.01 0.00 1.94 1.87 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 2.28 2.35 0.00 148 D 8.64 4.85 0.00 2.77 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 0.00 149 T 8.31 3.95 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 1.27 0.00 0.00 150 G 7.58 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 0.00 0.00 0.00 151 Y 7.82 4.30 0.00 3.01 3.09 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 0.00 0.00 0.00 152 Q 8.26 3.82 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 153 V 7.71 2.75 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 0.84 0.00 0.00 0.85 0.00 0.00 154 E 8.24 4.25 0.00 2.13 2.00 0.00 0.00 0.00 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 2.35 0.00 155 V 7.72 3.70 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 0.63 0.00 0.00 0.93 0.00 0.00