NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4791 8.3049 120.3305 55.5281 32.9947 174.3957 2 M 4.4651 8.5510 123.7205 52.9568 34.3893 170.3414 3 V 4.3895 8.2815 121.9332 60.7100 34.2860 174.2194 4 W 4.5870 8.9622 135.0000 57.6117 31.1908 175.3225 5 T 4.1208 8.1631 123.3861 61.1425 67.3499 172.5698 6 P 4.5189 0.0000 0.0000 63.3595 32.2162 175.6984 7 V 4.0335 7.3827 119.8050 62.6698 33.0879 175.3651 8 N 4.2133 8.6762 125.2762 54.8623 36.0496 173.6496 9 N 5.0513 7.5627 108.3644 53.0230 40.1409 174.1890 10 K 4.1929 8.3366 115.9616 56.4593 32.8115 176.4063 11 M 5.0834 8.3467 120.0794 53.9027 35.7326 175.1929 12 F 4.6158 8.3281 116.4989 57.2278 40.9576 176.3419 13 E 3.5145 8.3158 122.0740 57.0941 27.8065 175.2980 14 T 3.8312 8.3436 121.7775 66.4470 68.8903 174.3223 15 F 4.5436 9.0149 124.3937 57.6168 36.8998 176.3575 16 S 4.4774 8.1644 114.4645 60.2453 62.8823 174.3824 17 Y 4.4484 8.2895 117.6734 58.0777 38.1080 174.9579 18 L 4.7543 7.7411 120.3360 51.9544 43.9066 174.4409 19 P 4.3983 0.0000 0.0000 62.0964 31.7304 174.9977 20 P 4.2868 0.0000 0.0000 62.7788 31.7843 176.3751 21 L 3.9647 8.3080 122.6227 54.7877 42.1382 177.9847 22 T 4.2352 8.1830 114.0429 61.1795 71.1178 175.3367 23 D 4.3195 8.4943 120.6903 57.4779 40.7547 178.7031 24 E 3.9228 8.0746 119.4446 59.2482 29.7306 178.7728 25 Q 3.9093 8.0039 118.2857 58.7251 28.6984 178.5697 26 I 3.6549 7.9959 120.8656 64.3604 37.1286 178.0418 27 A 4.0086 8.2016 121.4715 55.4239 18.1370 179.5529 28 A 3.9630 8.0510 118.9589 55.4304 18.4280 179.8927 29 Q 4.0793 8.0790 116.5496 59.0888 28.7804 179.2112 30 V 3.7292 8.2288 119.4216 66.1875 31.6028 177.6344 31 D 4.4326 8.5381 119.0418 57.6675 40.5305 178.3479 32 Y 4.1464 8.1815 119.8322 60.7104 38.8576 177.9296 33 I 3.8894 7.9860 120.8072 64.7250 37.2961 178.6244 34 V 3.5461 7.8747 118.5688 65.8849 31.1739 177.9121 35 A 3.9363 8.1745 119.8565 54.5430 18.2475 178.3408 36 N 4.0750 7.1298 112.2576 52.1069 38.7316 175.6047 37 G 3.7606 7.3024 108.3198 46.1775 0.0000 174.0731 38 W 5.0062 7.5380 118.8429 55.8970 30.8641 176.2708 39 I 4.3965 9.0325 122.9834 59.4643 37.9540 174.0480 40 P 4.9077 0.0000 0.0000 62.9263 32.7123 175.1803 41 C 4.9843 8.8544 121.4766 58.4136 35.6270 172.4401 42 L 5.3073 8.7396 123.7305 53.2270 44.4664 175.2014 43 E 5.6223 9.1526 120.8773 54.9839 34.2274 174.5173 44 F 5.6416 8.9660 115.7275 56.0397 42.1081 172.9578 45 A 4.5106 8.2684 119.8479 50.3051 22.6487 176.3196 46 E 4.3081 8.6155 118.9104 55.7092 30.6187 177.7566 47 A 4.2802 8.7572 122.6111 55.7555 18.4808 179.8004 48 D 4.4963 8.1704 113.6226 56.4274 41.0597 177.1940 49 K 4.5985 7.8863 116.9690 56.0347 32.5542 176.8899 50 A 3.8712 7.6410 124.3845 54.0198 18.7626 178.2774 51 Y 4.6605 7.4351 111.4152 55.5873 40.1436 175.7375 52 V 3.8296 8.3416 122.3838 63.9270 32.0570 175.2631 53 S 4.7365 8.7153 119.0444 57.6739 66.2272 173.7101 54 N 5.1359 8.5922 114.4314 52.7100 39.5640 176.2142 55 E 3.9537 8.3375 118.1372 59.6091 29.7500 179.3278 56 S 4.1351 8.6939 114.9433 60.4122 62.8483 175.9756 57 A 2.5800 7.5989 123.4557 53.6026 17.7267 179.0446 58 I 3.5639 6.8318 115.4207 63.7687 38.0139 177.1558 59 R 4.2674 7.4157 116.3568 55.8206 30.5607 176.3126 60 F 5.0447 7.1848 118.0670 56.0181 41.2581 177.5112 61 G 4.0711 8.2409 117.8784 46.3258 0.0000 176.0123 62 S 4.6382 8.4423 114.8765 58.3428 62.0877 174.4215 63 V 4.4880 7.2567 107.0549 61.1774 33.3545 177.6475 64 S 4.5061 8.2492 115.2472 59.6686 63.5293 173.2796 65 C 3.9938 8.1233 119.0030 61.4402 27.8701 173.1075 66 L 3.5733 8.4105 123.4940 55.6129 38.9556 173.2892 67 Y 4.3747 7.6457 119.6653 56.0178 39.8581 174.5688 68 Y 4.9077 7.2290 123.4090 56.3061 42.4207 174.7828 69 D 4.4992 8.8119 123.4023 55.2636 41.7079 176.6958 70 N 4.5388 8.8442 116.1111 54.4159 35.9759 176.0593 71 R 3.9827 7.9957 119.1210 59.2140 30.4330 177.2169 72 Y 4.3293 7.6502 114.7066 57.9048 38.4186 175.1721 73 W 5.0734 8.6659 124.2654 55.5018 32.7509 174.3832 74 T 4.3155 8.1645 117.3896 62.4364 69.4261 174.6585 75 M 4.5186 8.6108 126.9946 55.4796 33.1628 175.2323 76 W 4.8784 9.5535 135.0000 55.8952 31.2416 176.8577 77 K 3.4357 8.5504 129.1581 57.6696 30.3754 177.9049 78 L 4.9354 8.2400 125.7003 52.6569 45.0186 174.0379 79 P 4.2708 0.0000 0.0000 63.4453 32.1840 177.5603 80 M 4.2961 8.6442 123.2271 53.6485 30.4263 175.3565 81 F 4.4629 7.4312 119.0853 58.7072 39.9833 176.4543 82 G 3.9851 9.1170 112.4748 45.5899 0.0000 173.0638 83 C 4.2838 7.8657 120.5197 59.6446 31.7240 173.1702 84 R 4.5638 8.6444 124.2348 55.5175 31.2543 174.4556 85 D 4.8000 7.7952 118.0945 51.3801 42.8938 174.4603 86 P 4.3465 0.0000 0.0000 65.9278 31.2572 178.5129 87 M 4.1079 8.1835 117.1757 58.2953 31.9060 178.5076 88 Q 3.9693 7.9850 119.4889 59.0960 29.2266 178.5554 89 V 3.6248 7.7453 118.7491 66.0594 31.7008 177.7743 90 L 4.0220 8.0565 118.7138 58.0016 41.4006 179.8092 91 R 3.9877 8.2976 118.0707 59.2388 29.9671 179.0006 92 E 4.1100 8.1684 118.2665 59.1503 29.4552 179.1541 93 I 3.4956 7.8231 120.0324 64.3731 37.2009 178.4702 94 V 3.4682 7.6933 118.5382 66.0246 31.4518 177.9220 95 A 3.9501 8.0620 120.5170 55.1291 18.2219 179.2132 96 C 2.0000 7.8939 117.6430 62.0618 31.2257 175.9975 97 T 3.7410 7.5769 111.3258 64.4102 67.9951 176.4393 98 K 3.8184 7.6278 121.7341 59.2859 32.3140 178.4536 99 A 3.9934 7.5145 119.8059 53.3786 19.7286 177.6003 100 F 4.7094 7.6566 115.8879 55.0117 39.0368 173.9679 101 P 4.4088 0.0000 0.0000 64.1834 31.9007 177.9285 102 D 4.6757 8.0859 116.7732 53.8719 41.1661 175.4023 103 A 4.8064 7.2889 121.3814 50.3481 21.5254 176.9702 104 Y 4.2022 8.5961 117.7163 57.8164 39.4594 175.2639 105 V 5.2292 8.8052 123.2720 61.1225 35.0484 174.3295 106 R 4.9947 9.4514 123.9215 54.2767 33.0230 173.8851 107 L 4.8688 8.0318 123.0240 53.8272 44.1182 175.6437 108 V 4.7926 8.5401 117.8695 59.6674 36.7072 174.0414 109 A 4.9553 8.0391 121.3526 50.5788 22.9477 175.2183 110 F 5.2137 9.1161 119.7641 55.6838 42.7179 173.9943 111 D 5.3972 8.7748 122.7615 52.7650 42.3774 176.5855 112 N 4.7597 9.1428 122.8618 54.0842 38.4186 176.3167 113 Q 4.1804 8.7703 118.9255 58.8394 28.9803 177.4567 114 K 4.0609 8.2725 114.6184 56.6655 33.1035 176.3864 115 Q 3.4274 7.9779 118.5944 56.0158 27.1008 172.7119 116 V 4.5273 7.7934 117.3168 59.9526 35.0675 174.3549 117 Q 4.3490 8.7392 123.3283 56.5397 29.2778 175.5454 118 I 4.2312 8.2243 124.7778 61.1256 39.8208 174.6509 119 M 4.6744 6.8764 117.4212 54.6210 34.4353 173.8113 120 G 4.6747 8.3405 103.9401 46.9137 0.0000 172.5521 121 F 5.0482 7.1972 116.5850 55.2758 41.1434 172.8593 122 L 4.5658 8.8265 123.0786 55.5979 42.0068 176.7938 123 V 4.5087 9.0302 118.4024 61.4990 33.9631 175.6555 124 Q 4.6098 7.8041 121.2036 54.4000 32.4538 173.2238 125 R 4.4101 8.0882 121.4974 52.8884 32.5933 173.5794 126 P 4.1728 0.0000 0.0000 62.9301 31.6170 177.6148 127 K 4.1000 8.4816 119.7641 59.0664 32.1571 178.0312 128 S 4.4399 7.9318 111.0205 58.1858 63.5610 174.0051 129 A 4.3004 7.8142 125.4589 52.8228 18.3537 177.6372 130 R 4.6002 8.8619 120.4928 56.0460 31.4751 175.5786 131 D 4.9581 8.4276 117.4251 52.5494 39.7544 175.6051 132 W 5.5876 7.5653 114.2033 54.2897 31.2965 173.9900 133 Q 4.3540 8.4346 118.2296 52.9616 30.7769 174.1609 134 P 4.4710 0.0000 0.0000 62.4460 31.8577 176.9165 135 A 3.9184 9.0829 125.6168 56.4413 18.1697 179.9480 136 N 4.5855 8.2217 111.5310 54.0347 37.9743 177.9710 137 K 4.5526 7.7751 117.5193 55.2142 32.6865 182.9450 138 R 3.6710 7.5208 120.7089 58.6568 30.1685 176.7383 139 S 5.0937 7.4799 110.2477 56.2911 65.9947 174.2535 140 V 3.9844 8.4692 114.4351 61.7305 32.1105 175.6546 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 4.48 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.55 4.47 0.00 2.03 2.06 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 2.57 2.63 0.00 3 V 8.28 4.39 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 1.10 0.00 0.00 0.97 0.00 0.00 4 W 8.96 4.59 0.00 3.45 3.02 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 5 T 8.16 4.12 4.09 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 1.11 0.00 0.00 6 P 0.00 4.52 0.00 2.23 2.19 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 7 V 7.38 4.03 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 0.77 0.00 0.00 0.91 0.00 0.00 8 N 8.68 4.21 0.00 2.97 2.89 0.00 0.00 6.52 6.92 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 9 N 7.56 5.05 0.00 2.66 2.68 0.00 0.00 7.31 6.68 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 10 K 8.34 4.19 0.00 1.96 1.50 0.00 0.64 0.00 0.00 1.07 0.00 0.00 2.61 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.35 1.47 7.81 11 M 8.35 5.08 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.69 0.00 12 F 8.33 4.62 0.00 3.12 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.32 3.51 0.00 2.15 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 14 T 8.34 3.83 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 0.17 0.00 0.00 15 F 9.01 4.54 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 16 S 8.16 4.48 0.00 4.15 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 0.00 17 Y 8.29 4.45 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 18 L 7.74 4.75 0.00 1.86 1.61 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.40 0.00 2.04 2.02 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 20 P 0.00 4.29 0.00 2.05 2.00 0.00 3.73 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 2.12 2.21 0.00 21 L 8.31 3.96 0.00 1.57 1.47 0.34 0.54 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 22 T 8.18 4.24 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 23 D 8.49 4.32 0.00 2.70 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 24 E 8.07 3.92 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 25 Q 8.00 3.91 0.00 2.28 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 26 I 8.00 3.65 2.04 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 1.58 0.72 1.07 0.00 0.00 27 A 8.20 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.05 3.96 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 29 Q 8.08 4.08 0.00 2.47 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.31 1.83 0.00 30 V 8.23 3.73 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 1.10 0.00 0.00 1.10 0.00 0.00 31 D 8.54 4.43 0.00 2.96 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 32 Y 8.18 4.15 0.00 3.22 3.33 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 33 I 7.99 3.89 2.18 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.07 1.07 0.00 0.00 34 V 7.87 3.55 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 1.00 0.00 0.00 0.96 0.00 0.00 35 A 8.17 3.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.13 4.08 0.00 1.44 1.42 0.00 0.00 7.02 8.93 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 37 G 7.30 3.76 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 0.00 0.00 0.00 38 W 7.54 5.01 0.00 3.35 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 39 I 9.03 4.40 2.12 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 0.73 0.00 0.00 40 P 0.00 4.91 0.00 2.09 1.99 0.00 3.81 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.85 4.98 0.00 3.10 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 42 L 8.74 5.31 0.00 1.84 1.62 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.15 5.62 0.00 2.05 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 2.36 2.32 0.00 44 F 8.97 5.64 0.00 3.08 3.02 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 45 A 8.27 4.51 -0.18 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 46 E 8.62 4.31 0.00 2.18 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 0.00 2.30 2.29 0.00 47 A 8.76 4.28 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.17 4.50 0.00 2.70 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 49 K 7.89 4.60 0.00 1.51 1.70 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.42 7.81 50 A 7.64 3.87 0.56 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 51 Y 7.44 4.66 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.34 3.83 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 0.61 0.00 0.00 0.80 0.00 0.00 53 S 8.72 4.74 0.00 4.07 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 54 N 8.59 5.14 0.00 2.76 2.84 0.00 0.00 6.57 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 55 E 8.34 3.95 0.00 2.10 2.24 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 2.39 2.32 0.00 56 S 8.69 4.14 0.00 4.03 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 57 A 7.60 2.58 1.06 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 0.00 0.00 0.00 58 I 6.83 3.56 1.78 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 1.47 0.81 0.90 0.00 0.00 59 R 7.42 4.27 0.00 1.96 2.03 0.00 3.20 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 60 F 7.18 5.04 0.00 2.99 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 61 G 8.24 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.44 4.64 0.00 3.86 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 63 V 7.26 4.49 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 0.67 0.00 0.00 0.50 0.00 0.00 64 S 8.25 4.51 0.00 4.09 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 0.00 65 C 8.12 3.99 0.00 2.97 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 66 L 8.41 3.57 0.00 1.78 1.77 0.94 1.00 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 67 Y 7.65 4.37 0.00 2.96 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.23 4.91 0.00 2.82 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 69 D 8.81 4.50 0.00 2.81 2.66 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 70 N 8.84 4.54 0.00 3.05 3.23 0.00 0.00 6.99 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 71 R 8.00 3.98 0.00 1.53 1.67 0.00 3.08 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 72 Y 7.65 4.33 0.00 3.06 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 73 W 8.67 5.07 0.00 3.08 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 74 T 8.16 4.32 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 75 M 8.61 4.52 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.79 0.00 76 W 9.55 4.88 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 77 K 8.55 3.44 0.00 1.72 0.89 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.79 0.21 7.81 78 L 8.24 4.94 0.00 1.62 1.61 1.00 1.03 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 79 P 0.00 4.27 0.00 0.65 1.80 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.13 0.00 80 M 8.64 4.30 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 81 F 7.43 4.46 0.00 3.10 2.99 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 82 G 9.12 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 83 C 7.87 4.28 0.00 3.02 3.02 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 84 R 8.64 4.56 0.00 1.80 1.86 0.00 3.21 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 85 D 7.80 4.80 0.00 2.72 2.52 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 86 P 0.00 4.35 0.00 2.22 2.12 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.18 4.11 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 7.99 3.97 0.00 2.29 2.13 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 2.40 2.40 0.00 89 V 7.75 3.62 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 1.05 0.00 0.00 0.97 0.00 0.00 90 L 8.06 4.02 0.00 1.90 1.72 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.30 3.99 0.00 2.03 2.01 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 92 E 8.17 4.11 0.00 2.25 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 0.00 2.61 2.66 0.00 93 I 7.82 3.50 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 0.85 0.00 0.00 94 V 7.69 3.47 2.19 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 0.97 0.00 0.00 0.96 0.00 0.00 95 A 8.06 3.95 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.89 2.00 0.00 1.23 2.24 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 97 T 7.58 3.74 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 1.12 0.00 0.00 98 K 7.63 3.82 0.00 1.81 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.38 7.81 99 A 7.51 3.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 7.66 4.71 0.00 2.80 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 0.00 101 P 0.00 4.41 0.00 2.12 2.11 0.00 3.25 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.09 4.68 0.00 2.69 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 0.00 103 A 7.29 4.81 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 0.00 104 Y 8.60 4.20 0.00 2.53 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 0.00 105 V 8.81 5.23 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 0.84 0.00 0.00 0.87 0.00 0.00 106 R 9.45 4.99 0.00 1.82 1.88 0.00 2.29 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.31 0.00 107 L 8.03 4.87 0.00 1.51 0.71 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.54 4.79 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 0.41 0.00 0.00 0.45 0.00 0.00 109 A 8.04 4.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 9.12 5.21 0.00 2.97 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 0.00 111 D 8.77 5.40 0.00 2.40 2.43 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 0.00 112 N 9.14 4.76 0.00 2.93 3.05 0.00 0.00 6.32 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 0.00 113 Q 8.77 4.18 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 114 K 8.27 4.06 0.00 1.75 1.86 0.00 2.04 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.45 7.81 115 Q 7.98 3.43 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 116 V 7.79 4.53 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 0.58 0.00 0.00 0.91 0.00 0.00 117 Q 8.74 4.35 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.16 1.84 0.00 118 I 8.22 4.23 1.23 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.39 -0.55 0.00 0.00 119 M 6.88 4.67 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 120 G 8.34 4.67 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 0.00 0.00 0.00 121 F 7.20 5.05 0.00 3.20 3.29 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 0.00 122 L 8.83 4.57 0.00 1.63 1.62 0.69 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.03 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 0.76 0.00 0.00 0.91 0.00 0.00 124 Q 7.80 4.61 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 125 R 8.09 4.41 0.00 1.12 1.44 0.00 2.21 0.00 0.00 2.65 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.24 0.00 126 P 0.00 4.17 0.00 2.11 2.27 0.00 2.20 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 127 K 8.48 4.10 0.00 1.77 1.93 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.40 7.81 128 S 7.93 4.44 0.00 4.01 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 0.00 129 A 7.81 4.30 1.57 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 0.00 130 R 8.86 4.60 0.00 1.80 1.90 0.00 3.24 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.85 0.00 131 D 8.43 4.96 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.57 5.59 0.00 3.65 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 0.00 133 Q 8.43 4.35 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.30 2.03 0.00 134 P 0.00 4.47 0.00 2.16 2.09 0.00 3.42 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 135 A 9.08 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.22 4.59 0.00 2.76 2.73 0.00 0.00 6.35 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.78 4.55 0.00 1.73 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.24 7.81 138 R 7.52 3.67 0.00 1.29 0.66 0.00 2.80 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.66 0.00 139 S 7.48 5.09 0.00 4.07 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 0.00 140 V 8.47 3.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.91 0.00 0.00