NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5194 8.1776 115.4174 57.8019 64.6058 174.4249 3 V 3.3490 8.0884 120.6536 64.6416 30.7878 176.7843 4 Y 3.9592 8.6131 117.4511 60.7503 38.6033 178.6187 5 D 4.5334 7.9297 119.1148 56.9011 41.0257 178.6499 6 A 4.0569 8.0784 121.3503 54.9532 18.4726 179.5387 7 A 3.8676 8.2026 119.2299 54.9877 18.2063 179.2653 8 A 4.1386 7.3977 116.3624 54.1749 18.5628 179.0483 9 Q 4.2393 7.7262 115.6905 56.8166 29.9754 177.0821 10 L 4.1927 7.2666 120.6381 53.8040 40.0141 177.0597 11 T 4.1585 7.7031 114.7056 60.3962 71.3992 174.8781 12 A 3.9499 8.4861 121.9679 55.9389 18.1448 179.6275 13 D 4.3195 7.9876 116.3120 57.2460 40.9320 179.0872 14 V 3.5196 7.3557 118.2176 65.9163 31.5035 178.3148 15 K 3.8789 8.1157 118.2911 59.0500 31.7662 179.3206 16 K 3.9313 7.9275 120.0110 59.7506 32.3096 178.7207 17 D 4.5961 8.5046 119.4987 57.2869 40.6582 178.8366 18 L 3.7657 7.7407 119.7438 57.5479 41.5077 179.7589 19 R 4.0127 7.9985 117.9833 59.5078 29.2710 178.6698 20 D 4.4889 8.3995 119.0709 57.5662 40.8158 179.2684 21 S 3.0727 8.0644 114.3350 60.7881 63.0502 176.3651 22 W 4.3166 8.5773 131.9943 59.8618 30.1819 177.7094 23 K 3.6436 8.1037 119.2896 59.0950 31.7387 178.4565 24 V 3.8113 7.1070 114.8802 65.4395 31.2741 178.1028 25 I 3.6984 7.0209 118.9955 63.7682 36.9622 178.3881 26 G 2.2582 7.1610 107.1438 46.4510 0.0000 174.8134 27 S 4.0685 7.1620 115.9446 60.7163 63.2285 174.0203 28 D 4.7073 7.2879 118.8503 51.1095 40.9685 175.6909 29 K 3.8301 7.9772 123.2399 58.5527 32.3770 178.3841 30 K 4.0068 7.9342 119.5433 59.3880 32.3814 179.0175 31 G 4.0426 8.0406 106.6896 47.6905 0.0000 175.3745 32 N 4.4717 8.3455 119.8829 55.2899 38.4643 178.0296 33 G 3.5220 8.0356 107.5704 47.8006 0.0000 176.0781 34 V 3.6759 8.0318 122.2668 64.9791 31.5109 177.9743 35 A 4.0403 7.8696 121.8686 54.2705 18.0266 179.4429 36 L 3.7203 7.8044 118.9125 58.3587 42.3329 179.4493 37 V 3.1806 7.6315 118.4495 65.9404 31.2328 178.0744 38 T 3.9548 8.0422 109.8800 65.1877 68.5809 176.7551 39 T 3.8451 7.8539 118.5257 65.9114 68.3104 176.5870 40 L 3.8359 7.2959 122.4522 58.1735 41.5874 179.0783 41 F 4.5364 7.5880 116.8734 60.1801 38.5370 177.6155 42 A 4.1305 7.7641 120.1149 55.0051 18.4931 178.9181 43 D 4.6364 8.1610 115.8182 55.5830 42.6162 176.9684 44 N 5.3632 8.2146 115.9417 49.2552 39.6694 174.7683 45 Q 4.2939 8.5246 121.9509 58.0341 29.0799 178.2763 46 E 4.1076 8.3003 118.2209 59.0527 29.7180 178.4906 47 T 4.4898 8.4036 110.2699 63.6051 69.2725 176.6401 48 I 3.8474 7.9826 123.3335 64.3105 36.7765 178.1881 49 G 3.5812 8.0534 105.5042 47.8838 0.0000 174.7618 50 Y 4.3289 7.7930 117.3683 59.4258 38.2421 176.1702 51 F 4.9461 8.1594 119.4169 56.5653 40.1076 178.0692 52 K 3.8816 8.3541 122.5162 59.7101 32.1556 179.5025 53 R 3.9664 8.0196 117.5485 59.2107 30.1058 177.4947 54 L 4.1403 7.8625 116.9666 55.7088 42.5434 179.2822 55 G 3.7828 7.6617 105.7705 46.0417 0.0000 175.9334 56 D 4.4395 8.3863 119.9796 54.0341 40.4973 176.8784 57 V 3.6900 8.0258 126.5822 64.8676 31.5171 176.9079 58 S 4.3153 7.9028 112.2417 60.5767 63.1986 175.7789 59 Q 4.1192 8.1066 122.1211 56.5930 28.7952 177.2027 60 G 3.8010 8.3849 109.3609 46.1988 0.0000 176.3025 61 M 3.9438 9.0597 121.8196 58.4349 31.9508 177.2787 62 A 4.0015 7.6313 120.6924 54.3257 18.8361 177.3331 63 N 4.5727 8.4409 115.6099 52.9658 39.3291 175.1148 64 D 4.3833 8.7145 129.0632 57.5685 41.0658 179.0126 65 K 4.0134 8.1074 118.3627 59.3784 32.1298 179.0524 66 L 4.0693 8.5142 120.8227 58.1298 41.9943 179.0374 67 R 4.0320 8.4502 119.1557 59.2678 30.1510 178.7430 68 G 3.6531 8.4540 105.9397 47.9974 0.0000 175.2593 69 H 4.2958 8.4548 120.6637 59.1476 29.4759 177.5462 70 S 4.0776 8.3071 117.0428 61.6056 62.5206 176.8437 71 I 3.7856 7.8152 122.3890 64.8170 37.0208 178.5544 72 T 4.0957 7.8774 116.1452 66.6588 68.2575 176.2319 73 L 4.0504 8.1815 122.3100 58.6553 42.0844 179.0753 74 M 4.2820 7.9439 118.3747 58.3005 31.9628 177.8825 75 Y 4.2482 7.9704 115.8153 59.7676 38.1343 177.5396 76 A 3.8585 7.8795 122.5135 54.7651 18.6318 179.6097 77 L 3.6525 7.5398 117.0612 57.5573 41.7138 179.2265 78 Q 3.5046 7.6680 119.7148 58.8056 28.7516 177.8050 79 N 4.1639 7.3973 116.7340 56.6795 39.3235 176.3948 80 F 4.5233 7.3124 119.0083 60.9395 38.7767 177.7150 81 I 3.5038 7.5120 119.1116 64.5253 36.5882 178.1674 82 D 4.4326 7.8848 118.3419 56.3743 40.8251 177.6502 83 Q 4.4298 7.6930 117.3460 55.8395 28.8022 177.3066 84 L 3.9438 7.3961 121.3260 57.7555 41.6054 178.2425 85 D 4.3145 8.0429 117.9410 56.1358 41.2184 175.9346 86 N 4.7902 7.7935 118.4156 51.0469 40.3985 172.8835 87 P 4.2032 0.0000 0.0000 65.8323 31.4507 178.3262 88 D 4.4091 8.1898 117.3606 57.4661 40.7218 178.6072 89 D 4.3632 8.1844 118.9680 57.0291 40.9663 178.2026 90 L 3.9084 8.0153 120.9935 58.1503 41.9486 179.2932 91 V 3.3787 7.7292 118.1973 66.1301 31.5880 177.8576 92 C 4.1148 7.8750 113.6970 61.1770 29.3744 175.9404 93 V 3.7485 7.9011 120.9732 65.5356 31.0903 178.2900 94 V 3.5714 7.8370 118.2440 65.9967 31.2465 177.9289 95 E 3.9508 8.4140 118.6907 59.1442 29.0247 179.2423 96 K 3.9770 7.7574 118.4151 59.5918 32.9399 178.3809 97 F 4.2902 8.5376 120.7163 61.2257 39.2266 176.9670 98 A 3.7809 8.4424 120.6002 54.5600 18.0942 179.3050 99 V 3.4914 7.4665 117.3193 66.9191 31.3604 178.1581 100 N 4.3285 7.9736 115.1003 56.4884 38.3756 177.0727 101 H 4.1358 7.5790 116.5731 58.4687 28.6901 177.9053 102 I 3.7219 8.0672 122.3640 64.6056 36.7100 178.5055 103 T 3.8880 7.6551 115.6566 66.3288 68.2951 175.9401 104 R 4.2386 7.3952 117.1444 55.1375 30.3936 176.3161 105 K 3.8340 7.8922 117.2196 57.3983 30.0886 175.8979 106 I 3.9103 7.7533 120.6204 60.3185 37.2285 177.2695 107 S 4.5110 8.4250 120.9497 57.3971 65.4738 174.8176 108 A 3.9970 8.4640 123.1519 55.3009 17.8569 179.7491 109 A 4.0400 7.9361 118.0368 55.0658 18.9332 179.0795 110 E 4.1017 8.0225 117.9627 59.5356 29.8020 178.8582 111 F 4.1817 8.7043 121.0974 61.0633 39.3536 176.8661 112 G 3.9154 8.3786 104.4570 46.4638 0.0000 174.9411 113 K 4.2491 7.9890 120.1792 58.0171 32.1999 178.3213 114 I 3.5425 7.6300 119.2937 62.9887 37.8115 177.1607 115 N 4.4566 7.9748 117.9545 56.3766 38.3107 177.1805 116 G 3.6003 7.6047 106.7326 47.5475 0.0000 173.8256 117 P 4.2226 0.0000 0.0000 65.0867 31.2971 178.8544 118 I 3.5481 7.7941 118.5307 64.1254 37.0218 178.3601 119 K 3.9469 8.2288 120.6592 59.4688 31.9881 179.0679 120 K 4.0130 8.0430 118.8799 59.3076 31.7450 179.5802 121 V 3.5463 7.5724 117.7135 65.7625 31.6573 177.7909 122 L 4.1351 8.0265 118.5730 57.8898 41.5609 179.3009 123 A 4.2514 8.3620 122.1836 54.5928 18.0943 179.6262 124 S 4.2711 8.0536 111.2582 60.2393 63.0076 175.2234 125 K 4.3671 7.6674 121.0617 55.9464 32.1747 175.4517 126 N 4.1149 8.0545 115.2883 54.5282 37.6938 173.6110 127 F 4.6719 8.0194 115.3047 55.0895 40.9007 175.9722 128 G 4.2439 8.7024 116.5311 44.7064 0.0000 172.5246 129 D 4.4596 9.0314 117.8005 57.7314 40.3474 178.6401 130 K 3.7543 8.2270 119.2402 60.0020 31.9834 177.9638 131 Y 4.3029 8.3095 116.1452 60.4963 38.0399 177.7166 132 A 4.2043 8.1286 121.4103 55.3709 18.6839 179.3046 133 N 4.3654 8.8193 115.2660 56.2773 38.2682 177.5338 134 A 3.9713 7.6856 120.9821 55.0590 18.3974 179.7894 135 W 3.9086 8.6172 117.1688 59.5368 29.1257 178.7137 136 A 4.0896 8.1673 121.0429 54.8558 17.5075 179.8768 137 K 3.8927 7.6221 116.1631 59.4508 32.4425 178.9969 138 L 3.8847 7.4731 120.2454 58.1787 42.0435 179.1155 139 V 3.6990 8.1599 118.1871 66.0467 31.4589 177.8087 140 A 4.5196 8.0283 121.8606 54.4741 17.9026 179.7711 141 V 3.3923 7.3423 116.3531 66.0341 31.7809 178.1877 142 V 3.4244 7.3641 117.5274 65.9128 31.4179 177.7845 143 Q 3.8502 8.0862 117.5953 58.9181 28.3207 178.6873 144 A 4.0649 7.7820 120.0260 53.9537 18.4910 178.4077 145 A 4.3265 7.6434 117.4869 52.2978 19.5735 177.0893 146 L 4.1287 7.3376 121.8474 54.7264 41.8406 176.5398 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 S 8.18 4.52 0.00 4.23 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 3 V 8.09 3.35 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 0.11 0.00 0.00 0.68 0.00 0.00 4 Y 8.61 3.96 0.00 2.94 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 5 D 7.93 4.53 0.00 2.87 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 6 A 8.08 4.06 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 7 A 8.20 3.87 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.40 4.14 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 9 Q 7.73 4.24 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.29 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 10 L 7.27 4.19 0.00 1.66 1.53 0.76 0.60 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 11 T 7.70 4.16 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 1.18 0.00 0.00 12 A 8.49 3.95 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 13 D 7.99 4.32 0.00 2.66 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 V 7.36 3.52 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 0.91 0.00 0.00 0.87 0.00 0.00 15 K 8.12 3.88 0.00 1.95 1.77 0.00 1.74 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.61 7.81 16 K 7.93 3.93 0.00 1.89 1.99 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.47 1.71 7.81 17 D 8.50 4.60 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.74 3.77 0.00 1.66 1.22 0.52 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.00 4.01 0.00 2.07 2.04 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 20 D 8.40 4.49 0.00 2.89 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 21 S 8.06 3.07 0.00 3.40 3.36 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 22 W 8.58 4.32 0.00 3.82 3.40 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 23 K 8.10 3.64 0.00 1.99 2.03 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 24 V 7.11 3.81 2.35 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 1.06 0.00 0.00 1.11 0.00 0.00 25 I 7.02 3.70 1.61 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.60 0.69 0.00 0.00 26 G 7.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.16 4.07 0.00 3.86 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 28 D 7.29 4.71 0.00 2.63 2.37 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 29 K 7.98 3.83 0.00 1.69 1.66 0.00 1.15 0.00 0.00 0.62 0.00 0.00 2.23 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.37 7.81 30 K 7.93 4.01 0.00 1.82 1.78 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 G 8.04 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 0.00 0.00 0.00 32 N 8.35 4.47 0.00 2.77 2.74 0.00 0.00 7.00 7.52 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 33 G 8.04 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.03 3.68 2.11 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 1.20 0.00 0.00 0.97 0.00 0.00 35 A 7.87 4.04 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 36 L 7.80 3.72 0.00 1.89 1.74 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.63 3.18 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 0.51 0.00 0.00 0.89 0.00 0.00 38 T 8.04 3.95 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 1.32 0.00 0.00 39 T 7.85 3.85 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 1.19 0.00 0.00 40 L 7.30 3.84 0.00 1.44 1.29 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.59 4.54 0.00 3.23 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.76 4.13 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 43 D 8.16 4.64 0.00 2.71 2.74 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 44 N 8.21 5.36 0.00 2.97 2.98 0.00 0.00 7.14 7.63 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 45 Q 8.52 4.29 0.00 2.09 2.20 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 2.58 2.26 0.00 46 E 8.30 4.11 0.00 2.18 2.25 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 2.47 2.39 0.00 47 T 8.40 4.49 4.74 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 1.51 0.00 0.00 48 I 7.98 3.85 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.07 0.68 0.00 0.00 49 G 8.05 3.58 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 0.00 0.00 0.00 50 Y 7.79 4.33 0.00 2.84 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.16 4.95 0.00 2.98 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 52 K 8.35 3.88 0.00 1.81 1.87 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.51 1.67 7.81 53 R 8.02 3.97 0.00 1.78 2.01 0.00 3.26 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 54 L 7.86 4.14 0.00 1.94 1.75 1.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.66 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 56 D 8.39 4.44 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.03 3.69 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 0.84 0.00 0.00 0.51 0.00 0.00 58 S 7.90 4.32 0.00 4.10 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 59 Q 8.11 4.12 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.87 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 60 G 8.38 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 61 M 9.06 3.94 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 62 A 7.63 4.00 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 63 N 8.44 4.57 0.00 2.75 2.86 0.00 0.00 7.04 8.04 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 64 D 8.71 4.38 0.00 2.74 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 65 K 8.11 4.01 0.00 1.99 1.91 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.51 4.07 0.00 1.80 1.87 1.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.45 4.03 0.00 2.05 2.07 0.00 3.16 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.45 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.45 4.30 0.00 3.40 3.57 0.00 5.79 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 70 S 8.31 4.08 0.00 4.05 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 71 I 7.82 3.79 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.19 1.14 0.00 0.00 72 T 7.88 4.10 4.45 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 1.29 0.00 0.00 73 L 8.18 4.05 0.00 1.73 1.86 0.94 1.00 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 74 M 7.94 4.28 0.00 2.03 2.13 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 2.68 2.93 0.00 75 Y 7.97 4.25 0.00 3.28 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 76 A 7.88 3.86 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 77 L 7.54 3.65 0.00 1.53 1.26 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.67 3.50 0.00 2.50 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 79 N 7.40 4.16 0.00 2.79 2.60 0.00 0.00 7.27 6.43 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 80 F 7.31 4.52 0.00 3.00 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 81 I 7.51 3.50 1.55 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.06 0.80 0.00 0.00 82 D 7.88 4.43 0.00 2.81 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 83 Q 7.69 4.43 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 84 L 7.40 3.94 0.00 1.54 1.66 0.76 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.04 4.31 0.00 2.65 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 86 N 7.79 4.79 0.00 2.66 2.74 0.00 0.00 7.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.20 0.00 2.19 2.07 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 88 D 8.19 4.41 0.00 2.95 2.74 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 89 D 8.18 4.36 0.00 2.82 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 90 L 8.02 3.91 0.00 1.89 1.75 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.73 3.38 2.11 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 0.65 0.00 0.00 0.77 0.00 0.00 92 C 7.88 4.11 0.00 3.20 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 93 V 7.90 3.75 2.38 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 1.30 0.00 0.00 1.09 0.00 0.00 94 V 7.84 3.57 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 0.71 0.00 0.00 0.49 0.00 0.00 95 E 8.41 3.95 0.00 2.03 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 2.23 2.41 0.00 96 K 7.76 3.98 0.00 1.84 2.18 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.58 7.81 97 F 8.54 4.29 0.00 3.38 3.40 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 98 A 8.44 3.78 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 99 V 7.47 3.49 2.16 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 1.01 0.00 0.00 1.02 0.00 0.00 100 N 7.97 4.33 0.00 2.60 2.70 0.00 0.00 7.00 8.16 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 0.00 101 H 7.58 4.14 0.00 3.27 3.32 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.07 3.72 2.01 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 1.49 0.73 0.90 0.00 0.00 103 T 7.66 3.89 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 1.19 0.00 0.00 104 R 7.40 4.24 0.00 1.59 1.84 0.00 3.09 0.00 0.00 3.04 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 105 K 7.89 3.83 0.00 1.97 1.94 0.00 1.72 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 1.39 1.41 7.81 106 I 7.75 3.91 1.97 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 0.96 0.00 0.00 107 S 8.43 4.51 0.00 4.09 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 0.00 108 A 8.46 4.00 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 0.00 109 A 7.94 4.04 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 0.00 110 E 8.02 4.10 0.00 2.13 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 2.27 2.46 0.00 111 F 8.70 4.18 0.00 3.33 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 0.00 112 G 8.38 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 0.00 113 K 7.99 4.25 0.00 1.98 1.88 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.74 7.81 114 I 7.63 3.54 1.53 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 1.34 1.10 0.70 0.00 0.00 115 N 7.97 4.46 0.00 2.91 2.89 0.00 0.00 6.70 8.26 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 0.00 116 G 7.60 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.22 0.00 2.16 2.16 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 118 I 7.79 3.55 1.95 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 1.20 0.69 0.59 0.00 0.00 119 K 8.23 3.95 0.00 1.90 1.98 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.53 7.81 120 K 8.04 4.01 0.00 1.96 1.81 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 121 V 7.57 3.55 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 0.71 0.00 0.00 0.92 0.00 0.00 122 L 8.03 4.14 0.00 2.06 2.00 0.59 0.43 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 0.00 123 A 8.36 4.25 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.27 0.00 4.03 4.08 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 0.00 125 K 7.67 4.37 0.00 2.08 1.92 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.49 7.81 126 N 8.05 4.11 0.00 2.65 2.54 0.00 0.00 6.92 6.31 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 0.00 127 F 8.02 4.67 0.00 3.11 2.80 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 0.00 128 G 8.70 4.24 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 0.00 129 D 9.03 4.46 0.00 2.81 2.80 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 0.00 130 K 8.23 3.75 0.00 1.72 1.65 0.00 1.56 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.89 1.33 7.81 131 Y 8.31 4.30 0.00 3.41 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 0.00 132 A 8.13 4.20 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.82 4.37 0.00 2.80 2.89 0.00 0.00 6.90 7.80 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 0.00 134 A 7.69 3.97 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 0.00 135 W 8.62 3.91 0.00 3.59 3.34 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 0.00 136 A 8.17 4.09 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.62 3.89 0.00 1.93 1.81 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.54 7.81 138 L 7.47 3.88 0.00 1.44 1.70 0.57 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.16 3.70 2.33 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 1.20 0.00 0.00 1.16 0.00 0.00 140 A 8.03 4.52 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 0.00 141 V 7.34 3.39 1.93 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 0.57 0.00 0.00 0.80 0.00 0.00 142 V 7.36 3.42 1.84 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 0.40 0.00 0.00 0.37 0.00 0.00 143 Q 8.09 3.85 0.00 2.29 2.14 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 2.63 2.68 0.00 144 A 7.78 4.06 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 0.00 145 A 7.64 4.33 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 0.00 146 L 7.34 4.13 0.00 1.71 1.54 0.65 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00